Project name: 6OBD

Status: done

Started: 2026-03-23 03:20:44
Settings
Chain sequence(s) A: DIVMTQTPLSLSVTPGQPASISCKSSQSLLYSNGKTYLNWVLQKPGQSPQRLIYLVSKLDSGVPDRFSGSGSGTDFTLKISRVEAEDVGVYYCVQGSHFHTFGQGTKLEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRG
B: EVQLVESGGGLVQPGGSLRLSCAASGFPFSNYWMNWVRQAPGKGLEWVGQIRLKSNNYATHYAESVKGRFTISRDDSKNSLYLQMNSLKTEDTAVYYCTPIDYWGQGTTVTVSSASTKGPSVFPLAPSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKS
E: DTSQTSSPS
F: NDTSQTSSPS
H: EVQLVESGGGLVQPGGSLRLSCAASGFPFSNYWMNWVRQAPGKGLEWVGQIRLKSNNYATHYAESVKGRFTISRDDSKNSLYLQMNSLKTEDTAVYYCTPIDYWGQGTTVTVSSASTKGPSVFPLAPSSSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEP
L: DIVMTQTPLSLSVTPGQPASISCKSSQSLLYSNGKTYLNWVLQKPGQSPQRLIYLVSKLDSGVPDRFSGSGSGTDFTLKISRVEAEDVGVYYCVQGSHFHTFGQGTKLEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRG
input PDB
Selected Chain(s) A,B,E,F,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                                          (00:09:58)
[INFO]       Main:     Simulation completed successfully.                                          (00:10:07)
Show buried residues

Minimal score value
-3.7035
Maximal score value
1.0698
Average score
-0.6992
Total score value
-610.3617

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 D A -1.8760
2 I A 0.0000
3 V A 0.8670
4 M A 0.0000
5 T A -0.3123
6 Q A 0.0000
7 T A 0.1023
8 P A 0.2674
9 L A 0.9102
10 S A 0.1132
11 L A -0.1061
12 S A -0.6789
13 V A 0.0000
14 T A -1.3299
15 P A -1.6840
16 G A -1.9526
17 Q A -2.1925
18 P A -1.9461
19 A A 0.0000
20 S A -0.8746
21 I A 0.0000
22 S A -0.7359
23 C A 0.0000
24 K A -1.3969
25 S A 0.0000
26 S A -0.8047
27 Q A -1.5066
28 S A -0.7227
29 L A 0.0000
30 L A 0.6423
31 Y A -0.1017
32 S A -0.6698
33 N A -1.6234
34 G A -1.2602
35 K A -1.3242
36 T A -0.2220
37 Y A 0.0000
38 L A 0.0000
39 N A 0.0000
40 W A 0.0000
41 V A 0.0000
42 L A 0.0000
43 Q A -1.0510
44 K A -1.4032
45 P A -1.3023
46 G A -1.5087
47 Q A -2.0450
48 S A -1.4899
49 P A 0.0000
50 Q A -1.0646
51 R A 0.0000
52 L A 0.0000
53 I A 0.0000
54 Y A -0.0407
55 L A -0.2635
56 V A -0.3706
57 S A -0.6652
58 K A -0.9475
59 L A -0.6793
60 D A -0.6281
61 S A -0.9621
62 G A -1.3793
63 V A 0.0000
64 P A -1.3574
65 D A -2.1749
66 R A -1.8857
67 F A 0.0000
68 S A -1.3805
69 G A 0.0000
70 S A -1.1365
71 G A -1.2706
72 S A -0.9565
73 G A -0.6628
74 T A -1.4679
75 D A -2.4823
76 F A 0.0000
77 T A -1.1801
78 L A 0.0000
79 K A -2.1491
80 I A 0.0000
81 S A -2.1197
82 R A -2.8598
83 V A 0.0000
84 E A 0.0000
85 A A -0.7963
86 E A -0.5040
87 D A 0.0000
88 V A -0.5658
89 G A 0.0000
90 V A -0.3082
91 Y A 0.0000
92 Y A 0.0000
93 C A 0.0000
94 V A 0.0000
95 Q A 0.0000
96 G A 0.0000
97 S A 0.0000
98 H A -1.0584
99 F A -0.3132
100 H A 0.0000
101 T A -0.1799
102 F A -0.0684
103 G A 0.0000
104 Q A -1.1902
105 G A 0.0000
106 T A 0.0000
107 K A -1.1204
108 L A 0.0000
109 E A -1.0145
110 I A 0.0000
111 K A -1.2737
112 R A -0.9153
113 T A 0.0819
114 V A 0.6195
115 A A 0.0950
116 A A -0.0228
117 P A 0.0000
118 S A -0.3183
119 V A 0.0000
120 F A -0.0223
121 I A 0.0486
122 F A 0.0000
123 P A -0.5504
124 P A 0.0000
125 S A -1.6315
126 D A -2.8277
127 E A -2.3561
128 Q A 0.0000
129 L A -1.9703
130 K A -2.5481
131 S A -1.5892
132 G A -1.0088
133 T A -0.8188
134 A A 0.0000
135 S A 0.0000
136 V A 0.0000
137 V A 0.0000
138 C A 0.0000
139 L A 0.0000
140 L A 0.0000
141 N A 0.0000
142 N A -0.6938
143 F A 0.0000
144 Y A 0.0000
145 P A -1.3919
146 R A -2.5119
147 E A -2.8296
148 A A -1.8699
149 K A -1.5452
150 V A -0.8421
151 Q A -0.3822
152 W A 0.0000
153 K A -0.5972
154 V A 0.0000
155 D A -1.8811
156 N A -1.5439
157 A A -0.2561
158 L A 0.7464
159 Q A -0.0876
160 S A -0.4730
161 G A -0.9111
162 N A -0.8540
163 S A -1.1656
164 Q A -1.5169
165 E A -1.9836
166 S A -0.8963
167 V A -0.8419
168 T A -1.1968
169 E A -2.3458
170 Q A -1.9977
171 D A -2.2163
172 S A -1.9672
173 K A -2.4019
174 D A -1.9005
175 S A -1.7623
176 T A 0.0000
177 Y A -1.2537
178 S A 0.0000
179 L A 0.0000
180 S A 0.0000
181 S A 0.0000
182 T A -0.6944
183 L A 0.0000
184 T A -0.3121
185 L A -0.6062
186 S A -0.9822
187 K A -1.8153
188 A A -1.8036
189 D A -2.5747
190 Y A 0.0000
191 E A -3.1680
192 K A -3.4734
193 H A -3.1699
194 K A -3.4033
195 V A -1.8428
196 Y A 0.0000
197 A A 0.0000
198 C A 0.0000
199 E A -0.7082
200 V A 0.0000
201 T A -0.8660
202 H A 0.0000
203 Q A -1.5741
204 G A -0.3677
205 L A -0.2044
206 S A -0.4208
207 S A -0.3804
208 P A -0.3433
209 V A 0.1071
210 T A -0.4977
211 K A -0.8983
212 S A -0.7585
213 F A -1.0012
214 N A -2.2073
215 R A -2.7202
216 G A -1.6537
1 E B -0.7183
2 V B 0.2367
3 Q B 0.0000
4 L B 0.0000
5 V B -0.0404
6 E B 0.0000
7 S B -0.6527
8 G B -0.8956
9 G B -0.5390
10 G B -0.2329
11 L B 0.0527
12 V B -0.4612
13 Q B -1.4842
14 P B -1.6424
15 G B -1.4606
16 G B -1.0657
17 S B -1.3266
18 L B -1.1514
19 R B -2.0502
20 L B 0.0000
21 S B -0.5243
22 C B 0.0000
23 A B 0.0000
24 A B 0.0000
25 S B 0.0000
26 G B -0.6221
27 F B 0.0000
28 P B -1.1533
29 F B 0.0000
30 S B -1.4892
31 N B -1.7710
32 Y B 0.0000
33 W B 0.0000
34 M B 0.0000
35 N B 0.0000
36 W B 0.0000
37 V B 0.0000
38 R B 0.0000
39 Q B -0.9026
40 A B -1.2594
41 P B -1.2200
42 G B -1.4618
43 K B -2.3845
44 G B -1.6011
45 L B 0.0000
46 E B -1.3023
47 W B 0.0000
48 V B 0.0000
49 G B 0.0000
50 Q B 0.0000
51 I B 0.0000
52 R B -1.1688
53 L B -1.6717
54 K B -2.5980
55 S B -1.7752
56 N B -1.7791
57 N B -2.0343
58 Y B -1.0685
59 A B -0.8358
60 T B -0.4513
61 H B -0.9466
62 Y B -1.1565
63 A B -1.7533
64 E B -2.7756
65 S B -1.8295
66 V B 0.0000
67 K B -2.7369
68 G B -1.8285
69 R B -1.5707
70 F B 0.0000
71 T B -0.9611
72 I B 0.0000
73 S B -0.2255
74 R B 0.0000
75 D B -1.4585
76 D B -1.6498
77 S B -1.2397
78 K B -1.7308
79 N B -1.2921
80 S B 0.0000
81 L B 0.0000
82 Y B -0.5122
83 L B 0.0000
84 Q B -1.3297
85 M B 0.0000
86 N B -1.7069
87 S B -1.3800
88 L B 0.0000
89 K B -2.1958
90 T B -1.7462
91 E B -2.2539
92 D B 0.0000
93 T B -0.7658
94 A B 0.0000
95 V B 0.1035
96 Y B 0.0000
97 Y B 0.0000
98 C B 0.0000
99 T B 0.0000
100 P B 0.0000
101 I B 0.0000
102 D B 0.0000
103 Y B 0.2616
104 W B -0.0952
105 G B -0.6296
106 Q B -1.3524
107 G B -0.5268
108 T B 0.0000
109 T B -0.2803
110 V B 0.0000
111 T B -0.4956
112 V B 0.0000
113 S B -0.8915
114 S B -0.6568
115 A B -0.4102
116 S B -0.5464
117 T B -0.8929
118 K B -1.1538
119 G B -1.3545
120 P B 0.0000
121 S B -0.3216
122 V B 0.0000
123 F B 0.0000
124 P B -1.2578
125 L B 0.0000
126 A B -1.2240
127 P B 0.0000
128 S B -0.7520
134 G B -0.6586
135 G B -0.9477
136 T B -0.4319
137 A B -0.1572
138 A B 0.0000
139 L B 0.0000
140 G B 0.0000
141 C B 0.0000
142 L B 0.0000
143 V B 0.0000
144 K B 0.0000
145 D B -0.3443
146 Y B 0.0000
147 F B 0.0000
148 P B 0.0000
149 E B -0.7372
150 P B -0.8939
151 V B -0.6959
152 T B -0.6473
153 V B -0.1458
154 S B -0.3271
155 W B 0.0000
156 N B -0.6019
157 S B -0.6469
158 G B -0.5193
159 A B -0.2089
160 L B -0.0828
161 T B -0.2464
162 S B -0.2379
163 G B -0.0308
164 V B 0.2524
165 H B -0.2633
166 T B 0.0212
167 F B 0.0000
168 P B -0.4150
169 A B 0.0898
170 V B 0.4024
171 L B 1.0698
172 Q B 0.2645
173 S B -0.1059
174 S B -0.1979
175 G B 0.0444
176 L B 0.1557
177 Y B 0.4068
178 S B 0.0000
179 L B 0.0000
180 S B 0.0000
181 S B 0.0000
182 V B 0.0000
183 V B 0.0000
184 T B 0.0000
185 V B 0.0000
186 P B 0.0000
187 S B -0.6332
188 S B -0.6717
189 S B 0.0000
190 L B -0.4908
191 G B -0.7782
192 T B -0.5245
193 Q B -0.6807
194 T B -0.9019
195 Y B 0.0000
196 I B -1.1606
197 C B 0.0000
198 N B -1.4158
199 V B 0.0000
200 N B -1.8391
201 H B 0.0000
202 K B -2.7539
203 P B -1.6167
204 S B -1.8169
205 N B -2.5455
206 T B -2.0315
207 K B -2.5574
208 V B -1.3236
209 D B -2.4869
210 K B -2.0496
211 K B -2.5836
212 V B 0.0000
213 E B -2.7640
214 P B -1.9508
215 K B -2.5781
216 S B -1.3119
1 D L -1.7740
2 I L -0.1402
3 V L 0.9293
4 M L 0.0000
5 T L -0.2090
6 Q L 0.0000
7 T L 0.0437
8 P L 0.2178
9 L L 0.7940
10 S L -0.1200
11 L L -0.2087
12 S L -0.7336
13 V L -0.8174
14 T L -1.1724
15 P L -1.4775
16 G L -1.6875
17 Q L -1.7279
18 P L -1.7508
19 A L 0.0000
20 S L -0.8997
21 I L 0.0000
22 S L -0.7529
23 C L 0.0000
24 K L -1.6916
25 S L 0.0000
26 S L -0.7027
27 Q L -1.2225
28 S L -0.5064
29 L L 0.0000
30 L L 0.8360
31 Y L 0.2142
32 S L -0.5490
33 N L -1.4959
34 G L -1.0632
35 K L -1.1188
36 T L -0.0859
37 Y L 0.0000
38 L L 0.0000
39 N L 0.0000
40 W L 0.0000
41 V L 0.0000
42 L L 0.0000
43 Q L -1.0785
44 K L -1.4665
45 P L -1.4065
46 G L -1.5233
47 Q L -1.9958
48 S L -1.3943
49 P L 0.0000
50 Q L -0.7091
51 R L 0.0000
52 L L 0.0000
53 I L 0.0000
54 Y L -0.1060
55 L L -0.2448
56 V L -0.3953
57 S L -0.7455
58 K L -1.0979
59 L L -0.6301
60 D L -0.5366
61 S L -0.8662
62 G L -1.2375
63 V L -0.7289
64 P L -1.2450
65 D L -2.3123
66 R L -2.1023
67 F L 0.0000
68 S L -1.4078
69 G L -0.9124
70 S L -1.0946
71 G L -1.1476
72 S L -0.7288
73 G L -0.5019
74 T L -1.3013
75 D L -2.1003
76 F L 0.0000
77 T L -1.1599
78 L L 0.0000
79 K L -2.1877
80 I L 0.0000
81 S L -2.1216
82 R L -2.9705
83 V L 0.0000
84 E L 0.0000
85 A L -0.7666
86 E L -0.6536
87 D L 0.0000
88 V L -0.5967
89 G L 0.0000
90 V L -0.6884
91 Y L 0.0000
92 Y L 0.0000
93 C L 0.0000
94 V L 0.0000
95 Q L 0.0000
96 G L 0.0000
97 S L 0.0000
98 H L -0.5332
99 F L 0.0084
100 H L 0.0000
101 T L -0.1970
102 F L 0.0000
103 G L 0.0000
104 Q L -1.1647
105 G L 0.0000
106 T L 0.0000
107 K L -1.4712
108 L L 0.0000
109 E L -1.0713
110 I L 0.0000
111 K L -1.3392
112 R L -0.9971
113 T L 0.0245
114 V L 0.5868
115 A L 0.1112
116 A L 0.0130
117 P L 0.0000
118 S L -0.2402
119 V L 0.0000
120 F L 0.0719
121 I L 0.0671
122 F L 0.0000
123 P L -0.6424
124 P L -0.8006
125 S L -1.5320
126 D L -2.8045
127 E L -2.6689
128 Q L 0.0000
129 L L -2.0975
130 K L -2.7317
131 S L -1.7093
132 G L -1.2351
133 T L -1.0351
134 A L 0.0000
135 S L 0.0000
136 V L 0.0000
137 V L 0.0000
138 C L 0.0000
139 L L 0.0000
140 L L 0.0000
141 N L 0.0000
142 N L 0.0000
143 F L 0.0000
144 Y L 0.0000
145 P L -1.2311
146 R L -2.1819
147 E L -2.8385
148 A L -2.2102
149 K L -2.3181
150 V L -1.3579
151 Q L -0.8270
152 W L 0.0000
153 K L -0.5854
154 V L 0.0000
155 D L -1.5096
156 N L -1.4206
157 A L -0.2206
158 L L 0.6713
159 Q L -0.4250
160 S L -0.7140
161 G L -1.2944
162 N L -1.5755
163 S L -1.3982
164 Q L -1.3238
165 E L -1.3388
166 S L -0.4601
167 V L -0.3860
168 T L -0.9107
169 E L -2.1402
170 Q L -1.7518
171 D L -1.8927
172 S L -1.8581
173 K L -2.3918
174 D L -2.0091
175 S L -1.7249
176 T L 0.0000
177 Y L 0.0000
178 S L 0.0000
179 L L 0.0000
180 S L 0.0000
181 S L 0.0000
182 T L -0.6750
183 L L 0.0000
184 T L -0.6791
185 L L -0.8969
186 S L -1.4054
187 K L -2.2676
188 A L -2.1520
189 D L -3.1267
190 Y L 0.0000
191 E L -3.6178
192 K L -3.7035
193 H L -3.0587
194 K L -3.2185
195 V L -1.8621
196 Y L 0.0000
197 A L 0.0000
198 C L 0.0000
199 E L -0.7689
200 V L 0.0000
201 T L -1.2635
202 H L 0.0000
203 Q L -1.4139
204 G L -0.3468
205 L L -0.2077
206 S L -0.4336
207 S L -0.4618
208 P L -0.6567
209 V L -0.0859
210 T L -0.4837
211 K L -0.5826
212 S L -0.6628
213 F L -0.9623
214 N L -2.1629
215 R L -2.4784
216 G L -1.3669
1 E H -0.7001
2 V H 0.0364
3 Q H 0.0000
4 L H 0.0000
5 V H -0.1236
6 E H -0.4177
7 S H -0.7483
8 G H -0.9603
9 G H -0.5716
10 G H -0.2006
11 L H 0.1627
12 V H -0.4427
13 Q H -1.4412
14 P H -1.5703
15 G H -1.3509
16 G H -1.0230
17 S H -1.2831
18 L H -1.1822
19 R H -2.2120
20 L H 0.0000
21 S H -0.5913
22 C H 0.0000
23 A H 0.0000
24 A H 0.0000
25 S H 0.0000
26 G H -0.7897
27 F H 0.0000
28 P H -1.3222
29 F H 0.0000
30 S H -1.6892
31 N H -1.8188
32 Y H 0.0000
33 W H 0.0000
34 M H 0.0000
35 N H 0.0000
36 W H 0.0000
37 V H 0.0000
38 R H 0.0000
39 Q H -0.9829
40 A H -1.3278
41 P H -1.1837
42 G H -1.4620
43 K H -2.3922
44 G H -1.6665
45 L H 0.0000
46 E H -1.4833
47 W H 0.0000
48 V H 0.0000
49 G H 0.0000
50 Q H 0.0000
51 I H 0.0000
52 R H -1.2695
53 L H 0.0000
54 K H -2.7435
55 S H -1.9148
56 N H -1.9154
57 N H -2.1310
58 Y H -1.2676
59 A H -0.8944
60 T H -0.3680
61 H H -0.6128
62 Y H -0.9890
63 A H -1.6810
64 E H -2.7206
65 S H -1.5822
66 V H 0.0000
67 K H -2.6182
68 G H -1.7400
69 R H -1.3716
70 F H 0.0000
71 T H -0.9805
72 I H 0.0000
73 S H -0.3879
74 R H 0.0000
75 D H -1.9268
76 D H -2.0444
77 S H -1.6294
78 K H -2.4157
79 N H -1.7222
80 S H 0.0000
81 L H 0.0000
82 Y H -0.5649
83 L H 0.0000
84 Q H -1.6354
85 M H 0.0000
86 N H -1.4046
87 S H -1.1735
88 L H 0.0000
89 K H -2.2018
90 T H -1.7836
91 E H -2.2738
92 D H 0.0000
93 T H -0.8240
94 A H 0.0000
95 V H -0.0068
96 Y H 0.0000
97 Y H 0.0000
98 C H 0.0000
99 T H 0.0000
100 P H 0.0000
101 I H 0.0000
102 D H 0.0000
103 Y H 0.2515
104 W H -0.0624
105 G H -0.6319
106 Q H -1.3983
107 G H -0.6146
108 T H -0.4011
109 T H -0.2720
110 V H 0.0000
111 T H -0.4607
112 V H 0.0000
113 S H -0.8745
114 S H -0.6104
115 A H -0.3965
116 S H -0.4486
117 T H -0.7225
118 K H -1.2585
119 G H -1.2803
120 P H 0.0000
121 S H -0.2314
122 V H 0.0000
123 F H 0.0000
124 P H -1.0718
125 L H 0.0000
126 A H -0.8577
127 P H -0.5649
128 S H -0.6006
129 S H -0.4704
133 S H -0.6013
134 G H -0.7692
135 G H -0.8131
136 T H -0.4805
137 A H -0.2407
138 A H 0.0000
139 L H 0.0000
140 G H 0.0000
141 C H 0.0000
142 L H 0.0000
143 V H 0.0000
144 K H 0.0000
145 D H -0.3586
146 Y H 0.0000
147 F H 0.0000
148 P H 0.0000
149 E H -0.5563
150 P H -0.6818
151 V H -0.4949
152 T H -0.4811
153 V H -0.3278
154 S H -0.3776
155 W H 0.0000
156 N H -0.7537
157 S H -0.9329
158 G H -0.5832
159 A H -0.5546
160 L H -0.1333
161 T H -0.2792
162 S H -0.2661
163 G H -0.0766
164 V H 0.3051
165 H H 0.0000
166 T H 0.1030
167 F H 0.0000
168 P H -0.2200
169 A H 0.2450
170 V H 0.5515
171 L H 0.8792
172 Q H 0.1778
173 S H -0.1151
174 S H -0.2378
175 G H -0.0702
176 L H 0.1076
177 Y H 0.3583
178 S H 0.0000
179 L H 0.0000
180 S H 0.0000
181 S H 0.0000
182 V H 0.0000
183 V H 0.0000
184 T H 0.0000
185 V H 0.0000
186 P H 0.0000
187 S H -0.5789
188 S H -0.5015
189 S H 0.0000
190 L H -0.2865
191 G H -0.4190
192 T H -0.3887
193 Q H -0.6820
194 T H -0.7319
195 Y H 0.0000
196 I H -1.0168
197 C H 0.0000
198 N H -1.4581
199 V H 0.0000
200 N H -1.5284
201 H H 0.0000
202 K H -1.9294
203 P H -1.2626
204 S H -1.6288
205 N H -2.2260
206 T H -1.8344
207 K H -2.4829
208 V H -1.6758
209 D H -2.4682
210 K H -2.0817
211 K H -2.1898
212 V H 0.0000
213 E H -2.2633
214 P H -1.1506
4 D E -1.8331
5 T E -1.1936
6 S E -0.9241
7 Q E 0.0000
8 T E -0.2695
9 S E 0.0000
10 S E 0.0000
11 P E -0.5844
12 S E -0.6077
3 N F -2.1828
4 D F -2.5489
5 T F -1.5339
6 S F -1.1447
7 Q F -0.5269
8 T F -0.3427
9 S F 0.0000
10 S F 0.0000
11 P F -0.5229
12 S F -0.6491
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Laboratory of Theory of Biopolymers 2018