Project name: 3e99768714ce0a

Status: done

Started: 2024-12-19 05:26:05
Settings
Chain sequence(s) H: EVQLVESGGGLVQPGGSLRISCAASGLTFTGYWMNWVRQAPGKGLEWVANIKEDGSEKYYVDSVKGRFTISRDNAKNSLYLQMNSLRVEDTAVYYCARLRWLRGNFDHWGQGTLVTVSSASTKGPSVFPLAPTAALGCLVKDYFPEPVTVSWNGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKV
L: FMLTQPHSVSESPGKTVTISCTGSNGYIANNYVQWYQQRPGSVPTVVIYEDNQRPSGVPDRFSGSIDSSSNSASLIISGLKTEDEADYYCQSYDTPNVVFGGGTKLTVLGQPKAAPSVTLFPPSSEELQANKATLVCLISDFYPGAVTVAWKADSSPVKAGVETTTPSKQSNNKYAASSYLSLTPEQWKSHRSYSCQVTHEGSTVEKTVAPT
input PDB
Selected Chain(s) H,L
Distance of aggregation 10 Å
FoldX usage Yes
Dynamic mode No
Automated mutations No
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                                        (00:00:00)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:03:01)
[INFO]       Main:     Simulation completed successfully.                                          (00:03:03)
Show buried residues

Minimal score value
-3.095
Maximal score value
1.1174
Average score
-0.6629
Total score value
-275.1119

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
1 E H -1.9998
2 V H -1.0857
3 Q H -1.2308
4 L H 0.0000
5 V H 0.4340
6 E H -0.2671
7 S H -0.6592
8 G H -0.9107
9 G H -0.9025
11 G H -0.6518
12 L H -0.1972
13 V H 0.0000
14 Q H -1.4884
15 P H -1.3410
16 G H -1.3481
17 G H -1.2084
18 S H -1.3066
19 L H -1.1223
20 R H -2.0256
21 I H 0.0000
22 S H -0.4545
23 C H 0.0000
24 A H -0.4475
25 A H -0.5628
26 S H -0.8806
27 G H -1.0009
28 L H -0.4909
29 T H -0.2993
30 F H 0.0000
35 T H -1.2042
36 G H -1.0043
37 Y H -0.5710
38 W H 0.0000
39 M H 0.0000
40 N H 0.0000
41 W H 0.0000
42 V H 0.0000
43 R H 0.0000
44 Q H -0.8688
45 A H -1.1436
46 P H -0.9808
47 G H -1.4661
48 K H -2.3024
49 G H -1.5758
50 L H 0.0000
51 E H -1.1945
52 W H 0.0000
53 V H 0.0000
54 A H 0.0000
55 N H 0.0000
56 I H 0.0000
57 K H -1.6809
58 E H -2.0072
59 D H -2.6539
62 G H -2.0065
63 S H -1.5094
64 E H -1.4947
65 K H -1.0947
66 Y H -0.5577
67 Y H -0.8155
68 V H -1.1709
69 D H -2.3872
70 S H -1.7961
71 V H 0.0000
72 K H -2.5604
74 G H -1.7585
75 R H -1.7522
76 F H 0.0000
77 T H -0.8483
78 I H 0.0000
79 S H -0.5322
80 R H -1.3876
81 D H -1.8999
82 N H -2.0250
83 A H -1.3928
84 K H -2.2687
85 N H -1.6505
86 S H 0.0000
87 L H 0.0000
88 Y H -0.4553
89 L H 0.0000
90 Q H -1.0964
91 M H 0.0000
92 N H -1.6740
93 S H -1.3390
94 L H 0.0000
95 R H -1.8683
96 V H -0.2089
97 E H -1.4971
98 D H 0.0000
99 T H -0.2732
100 A H 0.0000
101 V H 0.1019
102 Y H 0.0000
103 Y H 0.0000
104 C H 0.0000
105 A H 0.0000
106 R H 0.0000
107 L H 0.0000
108 R H -1.5321
109 W H 0.0522
110 L H 0.1030
112 R H -0.8277
113 G H 0.0000
114 N H 0.0000
115 F H 0.0000
116 D H -1.0487
117 H H -0.8021
118 W H -0.2854
119 G H 0.0000
120 Q H -1.0404
121 G H -0.4490
122 T H -0.3306
123 L H -0.0103
124 V H 0.0000
125 T H -0.2717
126 V H 0.0000
127 S H -0.5379
128 S H -0.4044
129 A H -0.4999
130 S H -0.4565
131 T H -0.8329
132 K H -0.9448
133 G H -1.2399
134 P H -0.5707
135 S H -0.3357
136 V H 0.0000
137 F H 0.0000
138 P H -0.6953
139 L H 0.0000
140 A H -0.0904
141 P H -0.0602
142 T H -0.2244
143 A H -0.0979
144 A H -0.0539
145 L H 0.0000
146 G H 0.0000
147 C H 0.0000
148 L H 0.0000
149 V H 0.0000
150 K H -0.3825
151 D H -0.5417
152 Y H 0.0000
153 F H -0.1864
154 P H 0.0000
155 E H -0.7712
156 P H -0.7800
157 V H -0.4161
158 T H -0.5289
159 V H -0.2867
160 S H -0.3315
161 W H -0.4405
162 N H -1.1179
163 G H -0.0571
164 V H 0.6262
165 H H -0.3304
166 T H -0.1439
167 F H 0.0000
168 P H -0.1389
169 A H 0.2175
170 V H 0.0000
171 L H 1.1174
172 Q H 0.2033
173 S H -0.1497
174 S H -0.2184
175 G H 0.0846
176 L H 0.1365
177 Y H 0.3647
178 S H 0.0000
179 L H 0.0000
180 S H 0.0000
181 S H 0.0000
182 V H 0.1498
183 V H 0.0000
184 T H 0.0032
185 V H -0.0025
186 P H -0.2489
187 S H -0.3407
188 S H -0.4528
189 S H -0.4659
190 L H -0.0706
191 G H -0.6135
192 T H -0.7128
193 Q H -1.1255
194 T H -0.6127
195 Y H -0.3392
196 I H -0.8390
197 C H 0.0000
198 N H -1.5112
199 V H 0.0000
200 N H -1.7365
201 H H 0.0000
202 K H -2.6963
203 P H -1.5509
204 S H -1.7022
205 N H -2.3473
206 T H -1.9597
207 K H -2.5989
208 V H -1.5707
209 D H -2.5184
210 K H -1.7720
211 K H -1.7755
212 V H -0.0207
2 F L 0.5802
3 M L 0.9586
4 L L 0.0000
5 T L -0.2491
6 Q L -0.7894
7 P L -0.9354
8 H L -1.5200
9 S L -1.1768
11 V L -0.5819
12 S L -0.3405
13 E L -0.8718
14 S L -1.0475
15 P L -1.6586
16 G L -1.9500
17 K L -2.3430
18 T L -1.3510
19 V L 0.0000
20 T L -0.0932
21 I L 0.0000
22 S L -0.1792
23 C L 0.0000
24 T L -0.1582
25 G L 0.1027
26 S L -0.1105
27 N L -0.6564
28 G L -0.1381
29 Y L 0.4367
30 I L 0.0000
35 A L -0.3705
36 N L -1.1290
37 N L -1.0519
38 Y L -0.5719
39 V L 0.0000
40 Q L 0.0000
41 W L 0.0000
42 Y L 0.0000
43 Q L 0.0000
44 Q L -0.7688
45 R L -1.2154
46 P L -0.9319
47 G L -0.7892
48 S L -0.6045
49 V L -0.1567
50 P L 0.0000
51 T L -0.1652
52 V L 0.0000
53 V L 0.0000
54 I L 0.0000
55 Y L -1.5740
56 E L -1.8977
57 D L -1.5324
65 N L -2.3248
66 Q L -2.5830
67 R L -2.5551
68 P L -1.3725
69 S L -1.0132
70 G L -0.9390
71 V L -0.8956
72 P L -1.3749
74 D L -2.3255
75 R L -1.6027
76 F L 0.0000
77 S L -1.2958
78 G L -1.0213
79 S L -0.5015
80 I L -0.0584
81 D L -0.9123
82 S L -0.6480
83 S L -0.5599
84 S L -0.5532
85 N L -0.4799
86 S L -0.3186
87 A L 0.0000
88 S L -0.2435
89 L L 0.0000
90 I L -0.0801
91 I L 0.0000
92 S L -1.3090
93 G L -1.7256
94 L L 0.0000
95 K L -2.6365
96 T L -1.6098
97 E L -2.1058
98 D L 0.0000
99 E L 0.0000
100 A L 0.0000
101 D L -1.2290
102 Y L 0.0000
103 Y L 0.0000
104 C L 0.0000
105 Q L 0.0000
106 S L 0.0000
107 Y L 0.0000
108 D L -1.3884
109 T L -0.9832
114 P L -0.6938
115 N L -0.8796
116 V L 0.0000
117 V L -0.0989
118 F L 0.0000
119 G L 0.0000
120 G L -0.9995
121 G L -1.2847
122 T L 0.0000
123 K L -1.8521
124 L L 0.0000
125 T L -0.3611
126 V L 0.0000
127 L L 0.4257
128 G L -0.4391
129 Q L -0.6754
130 P L -1.1051
131 K L -2.0934
132 A L -1.2871
133 A L -0.8135
134 P L 0.0000
135 S L -0.1989
136 V L -0.3113
137 T L -0.2905
138 L L 0.0000
139 F L 0.0000
140 P L -0.0953
141 P L 0.0000
142 S L 0.0000
143 S L -1.1868
144 E L -2.0262
145 E L 0.0000
146 L L -1.9539
147 Q L -2.2462
148 A L -1.9239
149 N L -2.7785
150 K L -2.8937
151 A L 0.0000
152 T L 0.0000
153 L L 0.0000
154 V L 0.0000
155 C L 0.0000
156 L L 0.0000
157 I L 0.0000
158 S L -0.4722
159 D L -0.8747
160 F L 0.0000
161 Y L -0.9398
162 P L -0.7522
163 G L -0.4957
164 A L -0.2112
165 V L -0.0839
166 T L -0.0473
167 V L 0.1206
168 A L -0.3024
169 W L 0.0000
170 K L -1.2129
171 A L 0.0000
172 D L -1.9107
173 S L -1.1837
174 S L -1.0126
175 P L -1.0150
176 V L -0.9759
177 K L -1.6344
178 A L -0.7889
179 G L -0.5101
180 V L -0.1380
181 E L -0.1432
182 T L 0.0308
183 T L 0.0000
184 T L -0.1808
185 P L -0.2522
186 S L -0.4742
187 K L -1.0310
188 Q L -1.1539
189 S L -1.2342
190 N L -1.3390
191 N L 0.0000
192 K L -1.1376
193 Y L -0.6159
194 A L 0.0000
195 A L 0.0000
196 S L 0.0000
197 S L 0.0000
198 Y L 0.0000
199 L L 0.0000
200 S L -0.5887
201 L L 0.0000
202 T L -1.8464
203 P L -2.5264
204 E L -3.0950
205 Q L -2.2884
206 W L 0.0000
207 K L -3.0129
208 S L -2.3384
209 H L -2.4675
210 R L -2.7063
211 S L 0.0000
212 Y L 0.0000
213 S L 0.0000
214 C L 0.0000
215 Q L -0.8922
216 V L 0.0000
217 T L -0.6275
218 H L 0.0000
219 E L -2.3085
220 G L -1.3636
221 S L -0.9522
222 T L -0.5920
223 V L -0.5265
224 E L -1.8283
225 K L -1.8532
226 T L -1.1251
227 V L -0.3938
228 A L -0.6687
229 P L -0.9639
230 T L -0.3229
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Laboratory of Theory of Biopolymers 2018