Project name: Murine-228BC-1-Alphafold

Status: done

Started: 2024-12-06 13:55:04
Settings
Chain sequence(s) A: QVQLQESGPGLVAPSQSLSITCTVSGFSLNAYSVNWVRQPPGKGLEWLGMIWGDGKIVYNSALKSRLNISKDSSKSQVFLKMSSLQSDDTARYYCAGDGYYPYAMDNWGHGTSVTVSSASTKGPSVFPLAPCSRSTSESTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTKTYTCNVDHKPSNTKVDKRVESK
C: GPVPPSTALRELIEELVNITQNQKAPLCNGSMVWSINLTAGMYCAALESLINVSGCSAIEKTQRMLSGFCPHKVSAGQFSSLHVRDTKIEVAQFVKDLLLHLKKLFREGRFN
B: NIVLTQSPASLAVSLGQRATISCRASKSVDSYGNSFMHWYQQKPGQPPKLLIYLASNLESGVPARFSGSGSRTDFTLTIDPVEADDAASYYCQQNNEDPRTFGGGTKLEIKRAVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC
input PDB
Selected Chain(s) A,C,B
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                                          (00:04:51)
[INFO]       Main:     Simulation completed successfully.                                          (00:04:54)
Show buried residues

Minimal score value
-3.6879
Maximal score value
1.1942
Average score
-0.7969
Total score value
-437.5015

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 Q A -1.5066
2 V A -1.2112
3 Q A -1.9041
4 L A 0.0000
5 Q A -1.8209
6 E A 0.0000
7 S A -0.6679
8 G A -0.5060
9 P A -0.5630
10 G A -0.6170
11 L A -0.0069
12 V A 0.0000
13 A A -0.7545
14 P A -1.3236
15 S A -1.3202
16 Q A -1.6932
17 S A -1.4984
18 L A 0.0000
19 S A -0.9933
20 I A 0.0000
21 T A -0.5260
22 C A 0.0000
23 T A -1.1292
24 V A 0.0000
25 S A -1.1283
26 G A -1.0597
27 F A -0.5630
28 S A -0.5806
29 L A 0.0000
30 N A -1.6369
31 A A -0.7538
32 Y A -0.3086
33 S A 0.0000
34 V A 0.0000
35 N A 0.0000
36 W A 0.0000
37 V A 0.0000
38 R A 0.0000
39 Q A -1.2406
40 P A -1.5659
41 P A -1.4271
42 G A -1.4814
43 K A -2.2678
44 G A -1.4003
45 L A 0.0000
46 E A -0.8473
47 W A 0.0000
48 L A 0.0000
49 G A 0.0000
50 M A 0.0000
51 I A 0.0000
52 W A 0.0000
53 G A 0.0000
54 D A -1.9077
55 G A -1.5436
56 K A -1.6191
57 I A -0.4034
58 V A -0.2735
59 Y A -0.6005
60 N A 0.0000
61 S A -1.1050
62 A A -0.6369
63 L A -1.0035
64 K A -2.0432
65 S A -1.4028
66 R A -1.6452
67 L A 0.0000
68 N A -2.1227
69 I A 0.0000
70 S A -0.9339
71 K A -1.0035
72 D A -1.3906
73 S A -1.4477
74 S A -1.4544
75 K A -2.1143
76 S A -1.5156
77 Q A -1.2342
78 V A 0.0000
79 F A -0.4525
80 L A 0.0000
81 K A -2.0511
82 M A 0.0000
83 S A -1.5293
84 S A -1.1892
85 L A 0.0000
86 Q A -2.2381
87 S A -1.7348
88 D A -2.3360
89 D A 0.0000
90 T A -1.1155
91 A A 0.0000
92 R A -1.1920
93 Y A 0.0000
94 Y A 0.0000
95 C A 0.0000
96 A A 0.0000
97 G A 0.0000
98 D A 0.0000
99 G A -0.0569
100 Y A 0.0286
101 Y A 0.0000
102 P A 0.0000
103 Y A 0.0000
104 A A 0.0000
105 M A 0.0000
106 D A -1.2698
107 N A -1.0903
108 W A -1.2009
109 G A 0.0000
110 H A -1.7989
111 G A -1.3148
112 T A -0.9138
113 S A -0.7585
114 V A 0.0000
115 T A 0.0000
116 V A 0.0000
117 S A -0.3956
118 S A -0.2760
119 A A -0.2655
120 S A -0.4403
121 T A -0.7018
122 K A -1.1298
123 G A -1.2750
124 P A 0.0000
125 S A -0.2830
126 V A 0.0000
127 F A -0.5670
128 P A -1.0453
129 L A 0.0000
130 A A -1.1415
131 P A 0.0000
132 C A -1.4014
133 S A -1.6612
134 R A -2.5404
135 S A -1.5456
136 T A -1.6031
137 S A -1.6587
138 E A -2.3830
139 S A -1.3017
140 T A -0.9512
141 A A 0.0000
142 A A 0.0000
143 L A 0.0000
144 G A 0.0000
145 C A 0.0000
146 L A 0.0000
147 V A 0.0000
148 K A 0.0000
149 D A -0.3721
150 Y A 0.0000
151 F A 0.0000
152 P A 0.0000
153 E A -0.3205
154 P A -0.5447
155 V A -0.5445
156 T A -0.4984
157 V A -0.1465
158 S A -0.4463
159 W A 0.0000
160 N A -0.9094
161 S A -0.7117
162 G A -0.4808
163 A A -0.2139
164 L A -0.0863
165 T A -0.1926
166 S A -0.2285
167 G A -0.2910
168 V A 0.1206
169 H A -0.2814
170 T A -0.1090
171 F A 0.0000
172 P A -0.2779
173 A A 0.2373
174 V A 0.4384
175 L A 1.1942
176 Q A 0.2795
177 S A -0.0764
178 S A -0.2290
179 G A -0.0075
180 L A 0.1520
181 Y A 0.4874
182 S A 0.0000
183 L A 0.0000
184 S A 0.0000
185 S A 0.0000
186 V A 0.0000
187 V A 0.0000
188 T A -0.1422
189 V A 0.0000
190 P A -0.6316
191 S A -0.8333
192 S A -0.7645
193 S A -0.6667
194 L A -0.9163
195 G A -1.0506
196 T A -0.8624
197 K A -1.5550
198 T A -1.4254
199 Y A 0.0000
200 T A -1.8630
201 C A 0.0000
202 N A -1.6064
203 V A 0.0000
204 D A -1.8277
205 H A 0.0000
206 K A -2.7003
207 P A -1.5530
208 S A -1.7784
209 N A -2.5604
210 T A -2.0192
211 K A -2.6649
212 V A -1.6424
213 D A -2.6703
214 K A -2.3434
215 R A -2.8512
216 V A 0.0000
217 E A -2.9501
218 S A -2.0633
219 K A -2.3444
1 N B -1.7430
2 I B 0.0000
3 V B 0.7282
4 L B 0.0000
5 T B -0.6369
6 Q B -0.7084
7 S B -0.8467
8 P B -0.5159
9 A B -0.6283
10 S B -0.7750
11 L B -0.4196
12 A B -0.4204
13 V B 0.0000
14 S B -1.1707
15 L B -0.9886
16 G B -1.8961
17 Q B -2.8807
18 R B -3.3811
19 A B 0.0000
20 T B -0.7576
21 I B 0.0000
22 S B -0.8958
23 C B 0.0000
24 R B -2.5896
25 A B 0.0000
26 S B -1.3800
27 K B -2.4983
28 S B -2.5253
29 V B 0.0000
30 D B -1.8031
31 S B -0.9857
32 Y B -0.5320
33 G B -0.6445
34 N B -0.7915
35 S B -1.0598
36 F B 0.0000
37 M B 0.0000
38 H B 0.0000
39 W B 0.0000
40 Y B 0.0000
41 Q B 0.0000
42 Q B 0.0000
43 K B -1.2912
44 P B -1.1786
45 G B -1.2645
46 Q B -1.6201
47 P B -1.4198
48 P B 0.0000
49 K B -1.9056
50 L B 0.0000
51 L B 0.0000
52 I B 0.0000
53 Y B 0.0000
54 L B 0.0000
55 A B 0.0000
56 S B -0.4964
57 N B -0.6127
58 L B 0.0233
59 E B -0.6249
60 S B -0.5265
61 G B -0.4909
62 V B -0.3438
63 P B -0.2671
64 A B -0.4117
65 R B -1.3934
66 F B 0.0000
67 S B -0.5766
68 G B -0.3547
69 S B -0.6833
70 G B -1.3171
71 S B -1.9740
72 R B -3.1674
73 T B -2.6608
74 D B -2.4760
75 F B 0.0000
76 T B -0.7494
77 L B 0.0000
78 T B -1.0652
79 I B 0.0000
80 D B -3.3093
81 P B -2.7551
82 V B 0.0000
83 E B -2.6864
84 A B 0.0000
85 D B -2.1190
86 D B 0.0000
87 A B 0.0000
88 A B 0.0000
89 S B -0.9361
90 Y B 0.0000
91 Y B 0.0000
92 C B 0.0000
93 Q B 0.0000
94 Q B 0.0000
95 N B 0.0000
96 N B -1.6654
97 E B -3.0947
98 D B -2.9388
99 P B 0.0000
100 R B 0.0000
101 T B -0.5025
102 F B 0.1778
103 G B 0.0000
104 G B -0.8941
105 G B -1.0224
106 T B 0.0000
107 K B -1.7671
108 L B 0.0000
109 E B -0.9692
110 I B 0.0000
111 K B -1.1122
112 R B -0.5550
113 A B 0.2016
114 V B 0.5029
115 A B 0.0530
116 A B -0.1097
117 P B 0.0000
118 S B -0.1651
119 V B 0.0000
120 F B 0.1314
121 I B 0.1328
122 F B 0.0000
123 P B -0.5301
124 P B 0.0000
125 S B -1.5344
126 D B -2.5995
127 E B -2.3343
128 Q B 0.0000
129 L B -2.1354
130 K B -2.6441
131 S B -1.6259
132 G B -1.3051
133 T B -0.9409
134 A B 0.0000
135 S B 0.0000
136 V B 0.0000
137 V B 0.0000
138 C B 0.0000
139 L B 0.0000
140 L B 0.0000
141 N B 0.0000
142 N B -0.8130
143 F B 0.0000
144 Y B 0.0000
145 P B -1.3114
146 R B -2.2163
147 E B -2.7646
148 A B -1.8595
149 K B -1.8476
150 V B -0.9016
151 Q B -0.5390
152 W B 0.0000
153 K B -0.5397
154 V B 0.0000
155 D B -1.7864
156 N B -1.4403
157 A B -0.2438
158 L B 0.7178
159 Q B -0.2001
160 S B -0.4111
161 G B -0.8825
162 N B -0.7834
163 S B -1.1479
164 Q B -1.4249
165 E B -1.9924
166 S B -1.0363
167 V B -0.7370
168 T B 0.0000
169 E B -1.7844
170 Q B -1.7206
171 D B -1.7911
172 S B -2.1086
173 K B -2.5479
174 D B -1.8108
175 S B 0.0000
176 T B 0.0000
177 Y B 0.0000
178 S B 0.0000
179 L B 0.0000
180 S B 0.0000
181 S B 0.0000
182 T B -0.6537
183 L B 0.0000
184 T B -0.3950
185 L B -0.5814
186 S B -0.9778
187 K B -2.0651
188 A B -1.7731
189 D B -2.2472
190 Y B 0.0000
191 E B -3.2942
192 K B -3.3947
193 H B -2.5760
194 K B -2.5152
195 V B -1.1519
196 Y B 0.0000
197 A B 0.0000
198 C B 0.0000
199 E B -0.8251
200 V B 0.0000
201 T B -1.0244
202 H B 0.0000
203 Q B -1.6132
204 G B -0.3783
205 L B -0.1945
206 S B -0.4356
207 S B -0.4139
208 P B -0.4747
209 V B -0.0791
210 T B -0.5194
211 K B -0.7586
212 S B -0.5674
213 F B 0.0000
214 N B -1.6040
215 R B -2.0467
216 G B -1.8077
217 E B -2.3212
218 C B -1.4937
1 G C -1.0093
2 P C -0.8738
3 V C -0.1428
4 P C -0.4410
5 P C -0.9929
6 S C -1.1343
7 T C -1.0012
8 A C 0.0000
9 L C 0.0000
10 R C -2.9481
11 E C -2.6726
12 L C 0.0000
13 I C 0.0000
14 E C -2.7696
15 E C -1.7992
16 L C 0.0000
17 V C -0.8516
18 N C -1.6681
19 I C 0.0000
20 T C -1.5361
21 Q C -2.1933
22 N C -2.5302
23 Q C -2.2947
24 K C -2.4090
25 A C -1.4846
26 P C -1.3614
27 L C 0.0000
28 C C 0.0000
29 N C -1.6888
30 G C -1.1435
31 S C -0.8601
32 M C -0.6249
33 V C 0.0000
34 W C -1.2650
35 S C -1.2599
36 I C -1.0311
37 N C -1.2048
38 L C -0.3652
39 T C -0.3345
40 A C -0.4519
41 G C -0.7044
42 M C 0.0000
43 Y C 0.0000
44 C C -0.3043
45 A C 0.0000
46 A C 0.0000
47 L C 0.0000
48 E C 0.0000
49 S C 0.0000
50 L C 0.0000
51 I C 0.0000
52 N C -0.5813
53 V C 0.0000
54 S C -0.5283
55 G C 0.0000
56 C C 0.0000
57 S C -0.8028
58 A C -0.8353
59 I C 0.0000
60 E C -0.7487
61 K C -1.1347
62 T C 0.0000
63 Q C 0.0000
64 R C -0.6824
65 M C 0.0000
66 L C 0.0000
67 S C 0.0000
68 G C -0.4998
69 F C -0.3265
70 C C 0.0000
71 P C -0.8477
72 H C -1.4226
73 K C -1.2389
74 V C 0.0000
75 S C -0.7554
76 A C -0.8245
77 G C -1.0619
78 Q C -1.4851
79 F C -0.8888
80 S C -0.8532
81 S C -0.6459
82 L C 0.0000
83 H C -1.4778
84 V C -1.3060
85 R C -2.6416
86 D C -2.7555
87 T C -1.7789
88 K C -2.0765
89 I C -0.9586
90 E C -1.6646
91 V C 0.0000
92 A C -1.2314
93 Q C -1.4799
94 F C 0.0000
95 V C 0.0000
96 K C -1.3073
97 D C -0.9824
98 L C 0.0000
99 L C 0.0000
100 L C 0.2687
101 H C -0.6250
102 L C 0.0000
103 K C -1.8717
104 K C -2.7957
105 L C -2.4464
106 F C -2.6346
107 R C -3.5750
108 E C -3.6879
109 G C -2.8110
110 R C -3.1377
111 F C -1.7754
112 N C -1.6481
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Laboratory of Theory of Biopolymers 2018