Project name: 932baaf35459e7a

Status: done

Started: 2024-06-18 09:14:44
Settings
Chain sequence(s) A: KGEELFTGVVPILVELDGDVNGHKFSVSGEGEGDATYGKLTLKFICTTGKLPVPWPTLVTTLTTTVQCFSRYPDHMKRHDFFKSAMPEGYVQERTISFKDDGNYKTRAEVKFEGDTLVNRIELKGIDFKEDGNILGHKLEYNYNSHNVYITADKQKNGIKANFKIRHNIEDGSVQLADHYQQNTPIGDGPVLLPDNHYLSTQSALSKDPNEKRDHMVLLEFVTAAGITH
C: KGEELFTGVVPILVELDGDVNGHKFSVSGEGEGDATYGKLTLKFICTTGKLPVPWPTLVTTLTTTVQCFSRYPDHMKRHDFFKSAMPEGYVQERTISFKDDGNYKTRAEVKFEGDTLVNRIELKGIDFKEDGNILGHKLEYNYNSHNVYITADKQKNGIKANFKIRHNIEDGSVQLADHYQQNTPIGDGPVLLPDNHYLSTQSALSKDPNEKRDHMVLLEFVTAAGITH
B: KGEELFTGVVPILVELDGDVNGHKFSVSGEGEGDATYGKLTLKFICTTGKLPVPWPTLVTTLTTTVQCFSRYPDHMKRHDFFKSAMPEGYVQERTISFKDDGNYKTRAEVKFEGDTLVNRIELKGIDFKEDGNILGHKLEYNYNSHNVYITADKQKNGIKANFKIRHNIEDGSVQLADHYQQNTPIGDGPVLLPDNHYLSTQSALSKDPNEKRDHMVLLEFVTAAGITH
D: KGEELFTGVVPILVELDGDVNGHKFSVSGEGEGDATYGKLTLKFICTTGKLPVPWPTLVTTLTTTVQCFSRYPDHMKRHDFFKSAMPEGYVQERTISFKDDGNYKTRAEVKFEGDTLVNRIELKGIDFKEDGNILGHKLEYNYNSHNVYITADKQKNGIKANFKIRHNIEDGSVQLADHYQQNTPIGDGPVLLPDNHYLSTQSALSKDPNEKRDHMVLLEFVTAAGITH
input PDB
Selected Chain(s) A,C,B,D
Distance of aggregation 10 Å
FoldX usage Yes
Dynamic mode No
Automated mutations Yes
Downloads Download all the data
Simulation log 
[INFO]       Logger:   Verbosity set to: 2 - [INFO]                                                (00:00:00)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:00)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with all chain(s) selected           (00:00:00)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:00)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:12:59)
[INFO]       Auto_mut: Residue number 11 from chain A and a score of 1.320 (valine) selected for   
                       automated muatation                                                         (00:13:08)
[INFO]       Auto_mut: Residue number 11 from chain D and a score of 1.230 (valine) selected for   
                       automated muatation                                                         (00:13:08)
[INFO]       Auto_mut: Residue number 11 from chain C and a score of 1.181 (valine) selected for   
                       automated muatation                                                         (00:13:08)
[INFO]       Auto_mut: Residue number 176 from chain A and a score of 0.676 (valine) selected for  
                       automated muatation                                                         (00:13:08)
[INFO]       Auto_mut: Residue number 151 from chain B and a score of 0.577 (tyrosine) selected    
                       for automated muatation                                                     (00:13:08)
[INFO]       Auto_mut: Residue number 151 from chain D and a score of 0.535 (tyrosine) selected    
                       for automated muatation                                                     (00:13:08)
[INFO]       Auto_mut: Mutating residue number 11 from chain A (valine) into glutamic acid         (00:13:08)
[INFO]       Auto_mut: Mutating residue number 11 from chain A (valine) into aspartic acid         (00:13:08)
[INFO]       Auto_mut: Mutating residue number 11 from chain D (valine) into glutamic acid         (00:13:08)
[INFO]       Auto_mut: Mutating residue number 11 from chain A (valine) into lysine                (00:18:51)
[INFO]       Auto_mut: Mutating residue number 11 from chain D (valine) into lysine                (00:18:53)
[INFO]       Auto_mut: Mutating residue number 11 from chain A (valine) into arginine              (00:18:56)
[INFO]       Auto_mut: Mutating residue number 11 from chain D (valine) into aspartic acid         (00:24:44)
[INFO]       Auto_mut: Mutating residue number 11 from chain C (valine) into glutamic acid         (00:24:59)
[INFO]       Auto_mut: Mutating residue number 11 from chain C (valine) into aspartic acid         (00:24:59)
[INFO]       Auto_mut: Mutating residue number 11 from chain D (valine) into arginine              (00:30:29)
[INFO]       Auto_mut: Mutating residue number 11 from chain C (valine) into lysine                (00:30:42)
[INFO]       Auto_mut: Mutating residue number 11 from chain C (valine) into arginine              (00:30:44)
[INFO]       Auto_mut: Mutating residue number 176 from chain A (valine) into glutamic acid        (00:36:21)
[INFO]       Auto_mut: Mutating residue number 176 from chain A (valine) into aspartic acid        (00:36:29)
[INFO]       Auto_mut: Mutating residue number 151 from chain B (tyrosine) into glutamic acid      (00:36:35)
[INFO]       Auto_mut: Mutating residue number 176 from chain A (valine) into lysine               (00:41:57)
[INFO]       Auto_mut: Mutating residue number 176 from chain A (valine) into arginine             (00:42:05)
[INFO]       Auto_mut: Mutating residue number 151 from chain B (tyrosine) into lysine             (00:42:26)
[INFO]       Auto_mut: Mutating residue number 151 from chain B (tyrosine) into aspartic acid      (00:47:45)
[INFO]       Auto_mut: Mutating residue number 151 from chain D (tyrosine) into glutamic acid      (00:47:55)
[INFO]       Auto_mut: Mutating residue number 151 from chain D (tyrosine) into aspartic acid      (00:48:28)
[INFO]       Auto_mut: Mutating residue number 151 from chain B (tyrosine) into arginine           (00:53:18)
[INFO]       Auto_mut: Mutating residue number 151 from chain D (tyrosine) into lysine             (00:53:39)
[INFO]       Auto_mut: Mutating residue number 151 from chain D (tyrosine) into arginine           (00:54:13)
[INFO]       Auto_mut: Effect of mutation residue number 11 from chain A (valine) into glutamic    
                       acid: Energy difference: 0.5440 kcal/mol, Difference in average score from  
                       the base case: -0.0189                                                      (01:00:15)
[INFO]       Auto_mut: Effect of mutation residue number 11 from chain A (valine) into lysine:     
                       Energy difference: -0.3600 kcal/mol, Difference in average score from the   
                       base case: -0.0141                                                          (01:00:15)
[INFO]       Auto_mut: Effect of mutation residue number 11 from chain A (valine) into aspartic    
                       acid: Energy difference: 0.9333 kcal/mol, Difference in average score from  
                       the base case: -0.0198                                                      (01:00:15)
[INFO]       Auto_mut: Effect of mutation residue number 11 from chain A (valine) into arginine:   
                       Energy difference: -0.2378 kcal/mol, Difference in average score from the   
                       base case: -0.0152                                                          (01:00:15)
[INFO]       Auto_mut: Effect of mutation residue number 11 from chain D (valine) into glutamic    
                       acid: Energy difference: 0.8015 kcal/mol, Difference in average score from  
                       the base case: -0.0174                                                      (01:00:15)
[INFO]       Auto_mut: Effect of mutation residue number 11 from chain D (valine) into lysine:     
                       Energy difference: -0.4918 kcal/mol, Difference in average score from the   
                       base case: -0.0136                                                          (01:00:15)
[INFO]       Auto_mut: Effect of mutation residue number 11 from chain D (valine) into aspartic    
                       acid: Energy difference: 1.2925 kcal/mol, Difference in average score from  
                       the base case: -0.0177                                                      (01:00:15)
[INFO]       Auto_mut: Effect of mutation residue number 11 from chain D (valine) into arginine:   
                       Energy difference: -0.4790 kcal/mol, Difference in average score from the   
                       base case: -0.0150                                                          (01:00:15)
[INFO]       Auto_mut: Effect of mutation residue number 11 from chain C (valine) into glutamic    
                       acid: Energy difference: 0.9945 kcal/mol, Difference in average score from  
                       the base case: -0.0195                                                      (01:00:15)
[INFO]       Auto_mut: Effect of mutation residue number 11 from chain C (valine) into lysine:     
                       Energy difference: -0.3359 kcal/mol, Difference in average score from the   
                       base case: -0.0163                                                          (01:00:15)
[INFO]       Auto_mut: Effect of mutation residue number 11 from chain C (valine) into aspartic    
                       acid: Energy difference: 1.4311 kcal/mol, Difference in average score from  
                       the base case: -0.0194                                                      (01:00:15)
[INFO]       Auto_mut: Effect of mutation residue number 11 from chain C (valine) into arginine:   
                       Energy difference: -0.4220 kcal/mol, Difference in average score from the   
                       base case: -0.0168                                                          (01:00:15)
[INFO]       Auto_mut: Effect of mutation residue number 176 from chain A (valine) into glutamic   
                       acid: Energy difference: 0.8121 kcal/mol, Difference in average score from  
                       the base case: -0.0168                                                      (01:00:15)
[INFO]       Auto_mut: Effect of mutation residue number 176 from chain A (valine) into lysine:    
                       Energy difference: 0.2283 kcal/mol, Difference in average score from the    
                       base case: -0.0169                                                          (01:00:15)
[INFO]       Auto_mut: Effect of mutation residue number 176 from chain A (valine) into aspartic   
                       acid: Energy difference: 1.1268 kcal/mol, Difference in average score from  
                       the base case: -0.0195                                                      (01:00:15)
[INFO]       Auto_mut: Effect of mutation residue number 176 from chain A (valine) into arginine:  
                       Energy difference: 0.2646 kcal/mol, Difference in average score from the    
                       base case: -0.0196                                                          (01:00:15)
[INFO]       Auto_mut: Effect of mutation residue number 151 from chain B (tyrosine) into glutamic 
                       acid: Energy difference: 0.9773 kcal/mol, Difference in average score from  
                       the base case: -0.0178                                                      (01:00:15)
[INFO]       Auto_mut: Effect of mutation residue number 151 from chain B (tyrosine) into lysine:  
                       Energy difference: 0.2774 kcal/mol, Difference in average score from the    
                       base case: -0.0149                                                          (01:00:15)
[INFO]       Auto_mut: Effect of mutation residue number 151 from chain B (tyrosine) into aspartic 
                       acid: Energy difference: 1.0628 kcal/mol, Difference in average score from  
                       the base case: -0.0166                                                      (01:00:15)
[INFO]       Auto_mut: Effect of mutation residue number 151 from chain B (tyrosine) into          
                       arginine: Energy difference: 0.6222 kcal/mol, Difference in average score   
                       from the base case: -0.0165                                                 (01:00:15)
[INFO]       Auto_mut: Effect of mutation residue number 151 from chain D (tyrosine) into glutamic 
                       acid: Energy difference: 1.0986 kcal/mol, Difference in average score from  
                       the base case: -0.0160                                                      (01:00:15)
[INFO]       Auto_mut: Effect of mutation residue number 151 from chain D (tyrosine) into lysine:  
                       Energy difference: 0.2692 kcal/mol, Difference in average score from the    
                       base case: -0.0155                                                          (01:00:15)
[INFO]       Auto_mut: Effect of mutation residue number 151 from chain D (tyrosine) into aspartic 
                       acid: Energy difference: 1.0484 kcal/mol, Difference in average score from  
                       the base case: -0.0162                                                      (01:00:15)
[INFO]       Auto_mut: Effect of mutation residue number 151 from chain D (tyrosine) into          
                       arginine: Energy difference: 0.5810 kcal/mol, Difference in average score   
                       from the base case: -0.0157                                                 (01:00:15)
[INFO]       Main:     Simulation completed successfully.                                          (01:00:27)
Show buried residues
Minimal score value
-4.1293
Maximal score value
1.3203
Average score
-0.9232
Total score value
-834.576
Download the table (csv)

The table below lists A3D score for protein residues. Residues with A3D score > 0.0000 are marked by yellow rows.

residue index residue name chain Aggrescan3D score mutation
residue index residue name chain Aggrescan3D score
mutation
3 K A -2.4341
4 G A 0.0000
5 E A -2.4008
6 E A -2.4767
7 L A -0.8670
8 F A 0.0000
9 T A -0.3207
10 G A 0.4426
11 V A 1.3203
12 V A 0.0000
13 P A -0.9071
14 I A 0.0000
15 L A -0.6750
16 V A 0.0000
17 E A -1.4133
18 L A 0.0000
19 D A -3.2864
20 G A 0.0000
21 D A -2.8482
22 V A 0.0000
23 N A -2.1496
24 G A -1.7570
25 H A -2.3169
26 K A -3.0412
27 F A 0.0000
28 S A -1.7720
29 V A 0.0000
30 S A -0.6600
31 G A 0.0000
32 E A -1.2952
33 G A -1.1789
34 E A -1.0812
35 G A 0.0000
36 D A -0.1172
37 A A 0.0000
38 T A -0.0591
39 Y A -0.2737
40 G A 0.0000
41 K A -0.8421
42 L A 0.0000
43 T A -0.8308
44 L A 0.0000
45 K A -0.6862
46 F A 0.0000
47 I A -0.3539
48 C A 0.0000
49 T A -0.7312
50 T A -1.1586
51 G A -1.1873
52 K A -2.0006
53 L A 0.0000
54 P A -1.2421
55 V A 0.0000
56 P A -0.6084
57 W A 0.0000
58 P A 0.0000
59 T A 0.0000
60 L A 0.0000
61 V A 0.0000
62 T A -0.0007
63 T A 0.0000
64 L A 0.0000
68 V A -0.0094
69 Q A -0.0984
70 C A 0.0000
71 F A 0.0000
72 S A 0.0000
73 R A -0.9669
74 Y A 0.0000
75 P A -1.7365
76 D A -2.7669
77 H A -2.1458
78 M A 0.0000
79 K A -2.7467
80 R A -2.8546
81 H A -1.7317
82 D A 0.0000
83 F A 0.0000
84 F A 0.0000
85 K A 0.0000
86 S A -1.2026
87 A A 0.0000
88 M A 0.0000
89 P A -1.3835
90 E A -1.9938
91 G A 0.0000
92 Y A 0.0000
93 V A -0.7043
94 Q A 0.0000
95 E A -2.6587
96 R A 0.0000
97 T A -1.0315
98 I A 0.0000
99 S A -1.0193
100 F A 0.0000
101 K A -2.2477
102 D A -2.8202
103 D A -2.7946
104 G A 0.0000
105 N A -1.4909
106 Y A 0.0000
107 K A -2.6173
108 T A 0.0000
109 R A -3.3877
110 A A 0.0000
111 E A -1.8992
112 V A 0.0000
113 K A -1.1438
114 F A -1.1067
115 E A -1.1572
116 G A -1.5476
117 D A -1.9945
118 T A 0.0000
119 L A 0.0000
120 V A 0.0000
121 N A 0.0000
122 R A -1.9434
123 I A 0.0000
124 E A -3.9670
125 L A 0.0000
126 K A -3.1763
127 G A 0.0000
128 I A -1.2823
129 D A -2.2932
130 F A 0.0000
131 K A -3.9598
132 E A -4.0007
133 D A -3.6584
134 G A -2.8714
135 N A -2.1899
136 I A 0.0000
137 L A -2.0614
138 G A -2.3970
139 H A -2.1463
140 K A -2.3830
141 L A -1.3153
142 E A -1.1732
143 Y A -0.3125
144 N A 0.0000
145 Y A 0.0000
146 N A 0.0000
147 S A 0.0000
148 H A 0.0000
149 N A -0.1060
150 V A 0.0000
151 Y A 0.3976
152 I A 0.0000
153 T A -1.2729
154 A A -1.8648
155 D A -2.3727
156 K A -3.2485
157 Q A -3.1443
158 K A -3.2578
159 N A -2.8515
160 G A 0.0000
161 I A 0.0000
162 K A -1.5051
163 A A 0.0000
164 N A -0.8597
165 F A 0.0000
166 K A -0.9779
167 I A 0.0000
168 R A -0.1663
169 H A 0.0000
170 N A -0.6242
171 I A 0.0000
172 E A -3.1192
173 D A -2.8767
174 G A -1.6854
175 S A -0.5899
176 V A 0.6762
177 Q A 0.0000
178 L A -0.3512
179 A A 0.0000
180 D A -0.7831
181 H A 0.0000
182 Y A -0.1921
183 Q A 0.0000
184 Q A -1.4195
185 N A 0.0000
186 T A -0.8453
187 P A -0.8677
188 I A -0.3348
189 G A -1.3317
190 D A -2.1574
191 G A -1.5528
192 P A -0.8321
193 V A -0.1270
194 L A -0.2403
195 L A -0.6621
196 P A 0.0000
197 D A -2.4916
198 N A -1.8648
199 H A 0.0000
200 Y A -0.0011
201 L A 0.0000
202 S A 0.0204
203 T A -0.1559
204 Q A 0.0000
205 S A -0.2165
206 A A 0.0000
207 L A 0.0000
208 S A -0.2905
209 K A -1.0693
210 D A -1.2903
211 P A -1.3031
212 N A -2.2662
213 E A -2.0794
214 K A -2.3159
215 R A -1.6330
216 D A -1.4741
217 H A 0.0000
218 M A 0.0000
219 V A -0.1189
220 L A 0.0000
221 L A 0.0000
222 E A -0.5393
223 F A 0.0000
224 V A 0.0000
225 T A -0.3688
226 A A 0.0000
227 A A -0.2132
228 G A -0.6631
229 I A -0.7395
230 T A -0.5740
231 H A -1.3159
3 K B -2.4341
4 G B 0.0000
5 E B -2.4204
6 E B -2.4351
7 L B -1.0783
8 F B 0.0000
9 T B -0.9346
10 G B 0.0000
11 V B 0.3559
12 V B 0.0000
13 P B -1.0887
14 I B 0.0000
15 L B -1.1547
16 V B 0.0000
17 E B -1.9036
18 L B 0.0000
19 D B -3.2888
20 G B 0.0000
21 D B -2.5558
22 V B 0.0000
23 N B -2.0152
24 G B -1.7014
25 H B -2.2774
26 K B -2.9410
27 F B 0.0000
28 S B -1.6158
29 V B 0.0000
30 S B -1.1413
31 G B 0.0000
32 E B -2.4122
33 G B -1.8201
34 E B -1.6724
35 G B 0.0000
36 D B -0.2049
37 A B 0.0000
38 T B -0.0025
39 Y B -0.1967
40 G B 0.0000
41 K B -0.7766
42 L B 0.0000
43 T B -1.0626
44 L B 0.0000
45 K B -1.5174
46 F B 0.0000
47 I B 0.0000
48 C B 0.0000
49 T B -0.7982
50 T B -1.1843
51 G B -1.7126
52 K B -2.2874
53 L B 0.0000
54 P B -1.1825
55 V B 0.0000
56 P B 0.0000
57 W B 0.0000
58 P B 0.0000
59 T B 0.0000
60 L B 0.0000
61 V B 0.1743
62 T B 0.0872
63 T B 0.0000
64 L B 0.0000
68 V B -0.0367
69 Q B -0.1608
70 C B 0.0000
71 F B 0.0000
72 S B 0.0000
73 R B -0.8830
74 Y B 0.0000
75 P B -1.8116
76 D B -2.9341
77 H B -2.2304
78 M B 0.0000
79 K B -3.3173
80 R B -3.0433
81 H B -2.1563
82 D B 0.0000
83 F B 0.0000
84 F B 0.0000
85 K B 0.0000
86 S B -1.3118
87 A B 0.0000
88 M B 0.0000
89 P B -1.7097
90 E B -2.3309
91 G B 0.0000
92 Y B 0.0000
93 V B 0.0000
94 Q B 0.0000
95 E B -1.8112
96 R B 0.0000
97 T B -1.2954
98 I B 0.0000
99 S B -1.9158
100 F B 0.0000
101 K B -2.8972
102 D B -3.0706
103 D B -2.7937
104 G B 0.0000
105 N B -1.7715
106 Y B 0.0000
107 K B -2.7011
108 T B 0.0000
109 R B -2.9885
110 A B 0.0000
111 E B -2.0584
112 V B 0.0000
113 K B -1.5966
114 F B -1.6768
115 E B -1.9900
116 G B -1.8833
117 D B -2.2271
118 T B -1.5854
119 L B 0.0000
120 V B 0.0000
121 N B 0.0000
122 R B -2.3675
123 I B 0.0000
124 E B -3.9318
125 L B 0.0000
126 K B -3.2190
127 G B 0.0000
128 I B -1.0059
129 D B -2.1576
130 F B 0.0000
131 K B -3.8976
132 E B -3.8704
133 D B -3.4838
134 G B 0.0000
135 N B -2.1640
136 I B 0.0000
137 L B -1.7413
138 G B -2.0412
139 H B -1.5849
140 K B -2.2255
141 L B -1.3381
142 E B -1.2162
143 Y B -0.3167
144 N B 0.0000
145 Y B 0.0000
146 N B 0.0000
147 S B 0.0000
148 H B 0.0000
149 N B -0.2948
150 V B 0.0000
151 Y B 0.5767
152 I B 0.0000
153 T B -1.1329
154 A B -1.7113
155 D B 0.0000
156 K B -3.0600
157 Q B -3.1640
158 K B -3.3414
159 N B -2.8519
160 G B 0.0000
161 I B 0.0000
162 K B -0.8779
163 A B 0.0000
164 N B -1.3050
165 F B -1.1795
166 K B -2.1982
167 I B 0.0000
168 R B -0.6098
169 H B 0.0000
170 N B -0.7733
171 I B 0.0000
172 E B -3.1156
173 D B -2.9813
174 G B -1.8313
175 S B -0.8027
176 V B 0.0607
177 Q B 0.0000
178 L B -1.1552
179 A B 0.0000
180 D B -2.7109
181 H B 0.0000
182 Y B -0.7980
183 Q B 0.0000
184 Q B -1.0566
185 N B 0.0000
186 T B -0.7602
187 P B -0.9549
188 I B -0.4030
189 G B -1.3237
190 D B -2.2276
191 G B -1.5558
192 P B -0.8561
193 V B -0.3997
194 L B -0.4253
195 L B -0.7598
196 P B 0.0000
197 D B -2.5338
198 N B -1.8481
199 H B 0.0000
200 Y B 0.0315
201 L B 0.0000
202 S B -0.0133
203 T B -0.2583
204 Q B 0.0000
205 S B 0.0000
206 A B 0.0000
207 L B 0.0000
208 S B -0.4351
209 K B -1.3767
210 D B -1.5858
211 P B -1.4836
212 N B -2.2461
213 E B -2.4924
214 K B -3.1106
215 R B -3.0945
216 D B -2.2484
217 H B 0.0000
218 M B 0.0000
219 V B -0.3401
220 L B 0.0000
221 L B -0.1613
222 E B -0.3876
223 F B 0.0000
224 V B 0.0000
225 T B -0.3244
226 A B 0.0000
227 A B -0.1829
228 G B -0.5348
229 I B -0.6395
230 T B -0.5460
231 H B -1.2614
3 K C -2.4449
4 G C 0.0000
5 E C -2.4324
6 E C -2.4720
7 L C -1.0231
8 F C 0.0000
9 T C -0.4198
10 G C 0.3252
11 V C 1.1809
12 V C 0.0000
13 P C -1.0135
14 I C 0.0000
15 L C -1.1222
16 V C 0.0000
17 E C -1.9451
18 L C 0.0000
19 D C -3.4100
20 G C 0.0000
21 D C -2.7730
22 V C 0.0000
23 N C -2.3773
24 G C -1.8741
25 H C -2.4656
26 K C -3.0132
27 F C 0.0000
28 S C -1.6666
29 V C 0.0000
30 S C -1.1062
31 G C 0.0000
32 E C -2.0649
33 G C -1.4702
34 E C -1.4720
35 G C 0.0000
36 D C -0.0507
37 A C 0.0000
38 T C 0.0380
39 Y C -0.1289
40 G C 0.0000
41 K C -0.7127
42 L C 0.0000
43 T C -1.0588
44 L C 0.0000
45 K C -1.5824
46 F C 0.0000
47 I C 0.0000
48 C C 0.0000
49 T C -0.9464
50 T C -1.3898
51 G C -1.5671
52 K C -1.8994
53 L C -1.2270
54 P C -1.1604
55 V C 0.0000
56 P C 0.0000
57 W C 0.0000
58 P C 0.0000
59 T C 0.0000
60 L C 0.0000
61 V C 0.0000
62 T C 0.0067
63 T C 0.0000
64 L C 0.0000
68 V C 0.0460
69 Q C -0.0352
70 C C 0.0000
71 F C 0.0000
72 S C 0.0000
73 R C -0.7046
74 Y C 0.0000
75 P C -1.7544
76 D C -2.6858
77 H C -2.1200
78 M C 0.0000
79 K C -2.8974
80 R C -2.9161
81 H C -1.7872
82 D C 0.0000
83 F C 0.0000
84 F C 0.0000
85 K C 0.0000
86 S C -1.1323
87 A C -1.0767
88 M C 0.0000
89 P C -1.9900
90 E C -2.6063
91 G C 0.0000
92 Y C 0.0000
93 V C -0.9211
94 Q C -1.5261
95 E C -2.2520
96 R C 0.0000
97 T C -0.9310
98 I C 0.0000
99 S C -1.2069
100 F C 0.0000
101 K C -2.3259
102 D C -2.8837
103 D C -2.8146
104 G C 0.0000
105 N C -1.3965
106 Y C 0.0000
107 K C -2.0450
108 T C 0.0000
109 R C -3.4994
110 A C 0.0000
111 E C -2.3605
112 V C 0.0000
113 K C -1.8370
114 F C 0.0000
115 E C -2.8323
116 G C -2.3355
117 D C -2.4854
118 T C -1.6659
119 L C 0.0000
120 V C 0.0000
121 N C 0.0000
122 R C -3.1967
123 I C 0.0000
124 E C -4.1293
125 L C 0.0000
126 K C -2.8464
127 G C 0.0000
128 I C -1.1515
129 D C -2.3219
130 F C 0.0000
131 K C -3.9570
132 E C -3.9087
133 D C -3.5815
134 G C -2.7997
135 N C -2.1902
136 I C 0.0000
137 L C -1.9327
138 G C -2.2444
139 H C -1.9242
140 K C -2.4225
141 L C 0.0000
142 E C -1.2960
143 Y C -0.2875
144 N C 0.0000
145 Y C 0.0000
146 N C 0.0000
147 S C 0.0000
148 H C 0.0000
149 N C -0.2368
150 V C 0.0000
151 Y C 0.3223
152 I C 0.0000
153 T C -1.1043
154 A C -1.6314
155 D C -2.1543
156 K C -3.1213
157 Q C -3.2080
158 K C -3.2071
159 N C -2.9041
160 G C 0.0000
161 I C 0.0000
162 K C -0.8576
163 A C 0.0000
164 N C -1.1525
165 F C 0.0000
166 K C -1.4112
167 I C 0.0000
168 R C -0.9587
169 H C 0.0000
170 N C -0.9024
171 I C 0.0000
172 E C -3.1375
173 D C -2.9371
174 G C -1.8020
175 S C -0.8147
176 V C 0.1040
177 Q C 0.0000
178 L C -0.9198
179 A C 0.0000
180 D C -1.4637
181 H C 0.0000
182 Y C -0.4354
183 Q C 0.0000
184 Q C -1.1481
185 N C 0.0000
186 T C -0.9829
187 P C -1.0032
188 I C -0.5691
189 G C -1.5031
190 D C -2.2310
191 G C -1.8209
192 P C -0.9929
193 V C -0.4984
194 L C -0.2529
195 L C -0.5694
196 P C 0.0000
197 D C -2.4761
198 N C -1.8635
199 H C 0.0000
200 Y C -0.0522
201 L C 0.0000
202 S C -0.0316
203 T C -0.2305
204 Q C 0.0000
205 S C 0.0000
206 A C 0.0000
207 L C 0.0000
208 S C 0.0000
209 K C -1.3118
210 D C -1.5112
211 P C -1.4076
212 N C -2.2269
213 E C -2.1355
214 K C -2.4861
215 R C -2.1587
216 D C -1.4796
217 H C 0.0000
218 M C 0.0000
219 V C -0.4192
220 L C 0.0000
221 L C -0.2122
222 E C -0.4332
223 F C 0.0000
224 V C 0.0000
225 T C -0.2861
226 A C 0.0000
227 A C -0.1975
228 G C -0.6803
229 I C -0.6610
230 T C -0.5417
231 H C -1.0859
3 K D -2.5497
4 G D 0.0000
5 E D -2.5039
6 E D -2.5804
7 L D -0.9683
8 F D 0.0000
9 T D -0.4183
10 G D 0.4166
11 V D 1.2301
12 V D 0.0000
13 P D -1.0318
14 I D 0.0000
15 L D -1.1469
16 V D 0.0000
17 E D -1.8374
18 L D 0.0000
19 D D -3.3482
20 G D 0.0000
21 D D -2.8051
22 V D 0.0000
23 N D -2.0675
24 G D -1.6872
25 H D -2.3530
26 K D -3.0513
27 F D 0.0000
28 S D -1.7357
29 V D 0.0000
30 S D -1.0099
31 G D 0.0000
32 E D -2.4088
33 G D -1.9533
34 E D -1.7263
35 G D 0.0000
36 D D -0.0661
37 A D 0.0000
38 T D -0.0001
39 Y D -0.1883
40 G D 0.0000
41 K D -0.5693
42 L D 0.0000
43 T D -1.0715
44 L D 0.0000
45 K D -1.4639
46 F D 0.0000
47 I D -0.8896
48 C D 0.0000
49 T D -0.7303
50 T D -1.1351
51 G D -1.6625
52 K D -2.2724
53 L D 0.0000
54 P D -1.2655
55 V D 0.0000
56 P D 0.0000
57 W D 0.0000
58 P D 0.0000
59 T D 0.0000
60 L D 0.0000
61 V D 0.0000
62 T D -0.0053
63 T D 0.0000
64 L D 0.0000
68 V D -0.0110
69 Q D -0.1073
70 C D 0.0000
71 F D 0.0000
72 S D 0.0000
73 R D -0.9096
74 Y D 0.0000
75 P D -1.7860
76 D D -2.8687
77 H D -2.2849
78 M D 0.0000
79 K D -2.9629
80 R D -2.8859
81 H D -1.8772
82 D D 0.0000
83 F D 0.0000
84 F D 0.0000
85 K D 0.0000
86 S D -1.3504
87 A D 0.0000
88 M D 0.0000
89 P D -1.4689
90 E D -2.3342
91 G D 0.0000
92 Y D 0.0000
93 V D -0.7021
94 Q D 0.0000
95 E D -2.0864
96 R D 0.0000
97 T D -0.9225
98 I D 0.0000
99 S D -1.3524
100 F D 0.0000
101 K D -2.6786
102 D D -3.2123
103 D D -2.7835
104 G D 0.0000
105 N D -1.3911
106 Y D 0.0000
107 K D -1.9936
108 T D 0.0000
109 R D -3.4410
110 A D 0.0000
111 E D -2.0979
112 V D 0.0000
113 K D -1.4805
114 F D -1.4659
115 E D -1.7484
116 G D -1.7670
117 D D -2.1309
118 T D -1.4071
119 L D 0.0000
120 V D 0.0000
121 N D 0.0000
122 R D -2.4870
123 I D 0.0000
124 E D -4.0353
125 L D 0.0000
126 K D -2.8233
127 G D 0.0000
128 I D -1.0711
129 D D -2.4393
130 F D 0.0000
131 K D -3.8738
132 E D -3.8391
133 D D -3.4937
134 G D 0.0000
135 N D -2.0967
136 I D 0.0000
137 L D -1.8240
138 G D -2.1832
139 H D -1.7807
140 K D -2.2555
141 L D -1.2931
142 E D -1.0833
143 Y D -0.1568
144 N D 0.0000
145 Y D 0.0000
146 N D 0.0000
147 S D -0.3669
148 H D -0.4731
149 N D -0.4259
150 V D 0.0000
151 Y D 0.5348
152 I D 0.0000
153 T D -1.2104
154 A D -1.7779
155 D D -2.1203
156 K D -3.0353
157 Q D -2.8960
158 K D -2.8316
159 N D -2.5817
160 G D 0.0000
161 I D 0.0000
162 K D -1.0892
163 A D 0.0000
164 N D -1.1404
165 F D 0.0000
166 K D -1.8380
167 I D 0.0000
168 R D -1.6199
169 H D 0.0000
170 N D -1.0885
171 I D 0.0000
172 E D -3.0928
173 D D -2.9630
174 G D -1.8658
175 S D -1.0224
176 V D -0.4548
177 Q D 0.0000
178 L D -1.3449
179 A D 0.0000
180 D D -1.7153
181 H D 0.0000
182 Y D -0.5190
183 Q D 0.0000
184 Q D -1.1341
185 N D 0.0000
186 T D -0.5787
187 P D -0.8351
188 I D -0.3909
189 G D -1.4247
190 D D -2.2794
191 G D -1.5804
192 P D -0.8533
193 V D -0.4179
194 L D -0.5888
195 L D -0.8770
196 P D 0.0000
197 D D -2.5292
198 N D -1.8437
199 H D 0.0000
200 Y D 0.0533
201 L D 0.0000
202 S D 0.0241
203 T D -0.1587
204 Q D 0.0000
205 S D -0.0926
206 A D 0.0000
207 L D 0.0000
208 S D -0.4048
209 K D -1.2448
210 D D -1.6586
211 P D -1.3601
212 N D -2.2638
213 E D -2.5352
214 K D -3.2559
215 R D -3.3607
216 D D -2.2146
217 H D 0.0000
218 M D 0.0000
219 V D -0.2680
220 L D 0.0000
221 L D -0.0163
222 E D -0.2365
223 F D -0.2478
224 V D 0.0000
225 T D -0.2884
226 A D 0.0000
227 A D -0.2850
228 G D -0.8181
229 I D -0.6571
230 T D -0.5650
231 H D -1.3355
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Automated mutations analysis

In the automated mutations mode, the server selects aggregation prone resides and each selected residue is mutated to glutamic acid, lysine, aspartic acid and arginine. The table below shows 2 best scored mutants for each mutated residue. Protein variants are ordered according to the mutation effect they had on protein stability (energetic effect) together with the difference in the average per-residue aggregation score between the wild type and the mutant (in the table green values indicate a positive change, grey are neutral, and orange/red mean destabilizing or more aggregation prone mutants).
Summary for all the mutants can be found in this CSV file.

Mutant
Energetic effect
Score comparison
VR11C -0.422 -0.0168 View CSV PDB
VR11D -0.479 -0.015 View CSV PDB
VK11C -0.3359 -0.0163 View CSV PDB
VK11D -0.4918 -0.0136 View CSV PDB
VK11A -0.36 -0.0141 View CSV PDB
VR11A -0.2378 -0.0152 View CSV PDB
VR176A 0.2646 -0.0196 View CSV PDB
VK176A 0.2283 -0.0169 View CSV PDB
YK151D 0.2692 -0.0155 View CSV PDB
YK151B 0.2774 -0.0149 View CSV PDB
YR151D 0.581 -0.0157 View CSV PDB
YR151B 0.6222 -0.0165 View CSV PDB
 
Laboratory of Theory of Biopolymers 2018