Project name: 7ZXK

Status: done

Started: 2026-03-23 04:51:24
Settings
Chain sequence(s) A: RPQLSLQELRREFTVSLHLARKLLSEVRGQAHRFAESHLPGVNLYLLPLGEQLPDVSLTFQAWRRLSDPERLCFISTTLQPFHALLGGLGTQGRWTNMERMQLWAMRLDLRDLQRHLRFQVLAAGFNLPEPQLLSTYRLLHSLELVLSRAVRELLLLSKA
C: RPPGRPQLSLQELRREFTVSLHLARKLLSEVRGQAHRFAESHLPGVNLYLLPLGEQLPDVSLTFQAWRRLSDPERLCFISTTLQPFHALLGGLGTQGRWTNMERMQLWAMRLDLRDLQRHLRFQVLAAGFNLPEVSWPQLLSTYRLLHSLELVLSRAVRELLLLSK
B: PRVQCRASRYPIAVDCSWTLPVSFIATYRLGMAARGHSWPCLQQTPTSTSCTITDVQLFSMAPYVLNVTSSFVPFITEHIIKPDPPEGVRLSPLAERQLQVQWEPPGSWPFPEIFSLKYWIRYKRQGAARFHRVGPIEATSFILRAVRPRARYYVQVAAQDLTDYGELSDWSLPATATMS
D: PRVQCRASRYPIAVDCSWTLVSFIATYRLGMASWPCLQQTPTSTSCCTITDVQLFSMAPYVLNVTASSFVPFITEHIIKPDPPEGVRLSPLAERQLQVQWEPPGSWPFPEIFSLKYWIRYKRQGAARFHRVGPIEATSFILRAVRPRARYYVQVAAQDLTDYGELSDWSLPATATM
I: DIVMTQSPDSLAVSLGERATINCKSSQSVLFSSNNNKNYLAWYQQKPGQPPKLLIYWASTRESGVPDRFSGSGSGTDFTLTISSLQAEDVAVYYCQQHASAPPTFGGGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC
H: EVQLVESGGGLVKPGGSLRLSCAASGFTFRSYGMNWVRQAPGKGLEWVSGISSSGSYIYYADSVKGRFTISRDNAKNSLYLQMNSLRAEDTAVYYCARDGGRTSYTATAHHNWFDPWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSSVVTVPSSSSLGTQTYICNVNHKPSNTKVDKKVEP
J: EVQLVESGGGLVKPGGSLRLSCAASGFTFRSYGMNWVRQAPGKGLEWVSGISSSGSYIYYADSVKGRFTISRDNAKNSLYLQMNSLRAEDTAVYYCARDGGRTSYTATAHHNWFDPWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSSVVTVPSSSSLGTQTYICNVNHKPSNTKVDKKVEPKSC
L: DIVMTQSPDSLAVSLGERATINCKSSQSVLFSSNNKNYLAWYQQKPGQPPKLLIYWASTRESGVPDRFSGSGSGTDFTLTISSLQAEDVAVYYCQQHASAPPTFGGGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGE
input PDB
Selected Chain(s) A,C,B,D,I,H,J,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                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:19:33)
[INFO]       Main:     Simulation completed successfully.                                          (00:19:59)
Show buried residues

Minimal score value
-3.755
Maximal score value
2.7476
Average score
-0.6532
Total score value
-1028.7798

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
35 R A -1.9392
36 P A -0.8814
37 Q A -0.5119
38 L A -0.3666
39 S A -0.3553
40 L A -0.3045
41 Q A -1.5677
42 E A 0.0000
43 L A 0.0000
44 R A -1.9223
45 R A -1.9195
46 E A 0.0000
47 F A 0.0000
48 T A -0.7339
49 V A -0.1127
50 S A 0.0000
51 L A -0.4957
52 H A -1.1507
53 L A 0.0000
54 A A 0.0000
55 R A -1.3949
56 K A -1.7272
57 L A 0.0000
58 L A 0.0000
59 S A -1.1312
60 E A -1.4003
61 V A 0.0000
62 R A -1.0909
63 G A -1.2398
64 Q A 0.0000
65 A A 0.0000
66 H A -2.2594
67 R A -2.9858
68 F A 0.0000
69 A A -1.6490
70 E A -2.7207
71 S A -1.8150
72 H A -0.6866
73 L A -0.5601
74 P A -1.1131
75 G A -0.4187
76 V A 0.7030
77 N A -0.0616
78 L A 0.9476
79 Y A 1.5366
80 L A 2.7476
81 L A 2.6214
82 P A 0.0000
83 L A 1.2661
84 G A -0.4662
85 E A -1.5277
86 Q A -1.9019
87 L A -1.1734
88 P A -1.3045
89 D A -1.7971
90 V A -0.6008
91 S A -0.4265
92 L A -0.4043
93 T A -0.9146
94 F A 0.0000
95 Q A -2.3601
96 A A -1.7914
97 W A 0.0000
98 R A -3.0427
99 R A -3.3073
100 L A -2.3538
101 S A -2.2540
102 D A -2.4807
103 P A -1.9015
104 E A -2.2910
105 R A 0.0000
106 L A 0.0000
107 C A -0.5827
108 F A -0.2529
109 I A 0.0000
110 S A 0.0000
111 T A -0.2011
112 T A -0.3780
113 L A 0.0000
114 Q A -1.1115
115 P A -0.4363
116 F A 0.0000
117 H A -0.7640
118 A A -0.0802
119 L A 0.3277
120 L A 0.0000
121 G A -0.2391
122 G A -0.5694
123 L A -0.3984
124 G A -0.7149
125 T A -1.0027
126 Q A -1.9528
127 G A -1.9089
128 R A -2.5025
129 W A -1.5004
130 T A -0.9980
131 N A -1.1767
132 M A 0.2457
133 E A -0.7700
134 R A -0.7775
135 M A 0.1930
136 Q A -0.3218
137 L A 0.0000
138 W A 0.5945
139 A A 0.0127
140 M A 0.0000
141 R A -0.7823
142 L A -0.6737
143 D A -0.6753
144 L A 0.0000
145 R A -1.3818
146 D A 0.0000
147 L A 0.0000
148 Q A 0.0000
149 R A -0.8959
150 H A 0.0000
151 L A 0.0000
152 R A -0.5818
153 F A 0.0000
154 Q A 0.0000
155 V A 0.0000
156 L A 0.0000
157 A A 0.0000
158 A A -0.8641
159 G A -1.1009
160 F A -1.0422
161 N A -1.5203
162 L A 0.0000
163 P A -1.4440
164 E A -2.1243
198 P A -0.3840
199 Q A -1.1096
200 L A 0.0314
201 L A 0.0000
202 S A -0.0284
203 T A -0.0967
204 Y A 0.0000
205 R A 0.0000
206 L A 0.0000
207 L A 0.0000
208 H A -0.1357
209 S A 0.0000
210 L A 0.0000
211 E A 0.0000
212 L A 0.0000
213 V A 0.0000
214 L A 0.0000
215 S A 0.0000
216 R A 0.0000
217 A A 0.0000
218 V A 0.0000
219 R A 0.0000
220 E A 0.0000
221 L A 0.0000
222 L A -0.3071
223 L A -0.4334
224 L A -0.6149
225 S A 0.0000
226 K A -1.4432
227 A A -0.4918
31 P B -0.9639
32 R B -1.9318
33 V B 0.0000
34 Q B -1.6075
35 C B 0.0000
36 R B -1.3266
37 A B 0.0000
38 S B 0.0000
39 R B -0.7933
40 Y B 0.0000
41 P B 0.0000
42 I B -0.0583
43 A B 0.0000
44 V B 0.0000
45 D B -0.6268
46 C B 0.0000
47 S B -1.0573
48 W B 0.0000
49 T B -0.7739
50 L B 0.0460
51 P B -0.2912
60 V B 1.6666
61 S B 0.9426
62 F B 0.0000
63 I B 1.9137
64 A B 0.0000
65 T B 0.7369
66 Y B 0.2067
67 R B -0.4281
68 L B 0.2753
69 G B 0.0346
70 M B 0.9522
71 A B -0.2606
72 A B -0.8914
73 R B -2.2306
74 G B -1.8242
75 H B -1.5721
76 S B -0.8553
77 W B 0.2125
78 P B 0.5432
79 C B 0.0000
80 L B 1.2828
81 Q B 0.0496
82 Q B -1.0873
83 T B -0.4748
84 P B 0.1527
85 T B 0.1283
86 S B -0.2333
87 T B -0.2311
88 S B -0.5048
89 C B 0.0000
90 T B 0.0317
91 I B 0.0000
92 T B -0.4375
93 D B -1.4724
94 V B 0.0000
95 Q B -0.4714
96 L B 0.0000
97 F B 0.0000
98 S B 0.0000
99 M B 0.1461
100 A B 0.7172
101 P B 0.0000
102 Y B 0.0000
103 V B 0.0000
104 L B 0.0000
105 N B 0.7984
106 V B 0.0000
107 T B 0.6744
116 S B 0.3328
117 S B 0.3507
118 F B 1.4565
119 V B 0.5881
120 P B 0.4509
121 F B 0.0000
122 I B 0.0000
123 T B 0.0000
124 E B 0.0000
125 H B -0.9590
126 I B -0.8238
127 I B 0.0000
128 K B -1.7989
129 P B 0.0000
130 D B -1.3493
131 P B -1.2266
132 P B 0.0000
133 E B -2.1758
134 G B -1.8264
135 V B -1.4932
136 R B -2.4033
137 L B -0.7853
138 S B -0.5593
139 P B -0.4540
140 L B -0.4680
141 A B -1.2708
142 E B -2.7441
143 R B -3.2148
144 Q B -2.0670
145 L B 0.0000
146 Q B -0.5014
147 V B 0.0000
148 Q B -1.5278
149 W B 0.0000
150 E B -2.7806
151 P B -1.5115
152 P B 0.0000
153 G B -1.1703
154 S B -0.5291
155 W B 0.0000
156 P B -0.3149
157 F B -0.3756
158 P B -0.9112
159 E B -1.8200
160 I B 0.0000
161 F B 0.0000
162 S B -0.7533
163 L B 0.0000
164 K B 0.0000
165 Y B 0.0000
166 W B -0.5187
167 I B 0.0000
168 R B -1.1223
169 Y B -0.9147
170 K B -1.6506
171 R B -2.2425
172 Q B -2.3043
173 G B -1.6550
174 A B -1.2571
175 A B -1.2211
176 R B -2.2497
177 F B -1.2620
178 H B -1.7924
179 R B -2.0546
180 V B -0.7108
181 G B -0.7939
182 P B -0.8766
183 I B 0.0000
184 E B -1.8195
185 A B -1.0815
186 T B -0.9024
187 S B -0.6352
188 F B 0.1569
189 I B -0.1077
190 L B 0.0000
191 R B -2.5524
192 A B -2.0254
193 V B 0.0000
194 R B -3.1544
195 P B -2.6548
196 R B -2.6614
197 A B -2.5516
198 R B -2.5819
199 Y B 0.0000
200 Y B -0.2583
201 V B 0.0000
202 Q B 0.0000
203 V B 0.0000
204 A B 0.0000
205 A B 0.0000
206 Q B -1.1021
207 D B 0.0000
208 L B -0.4221
209 T B 0.0000
210 D B -1.0155
211 Y B 0.0000
212 G B -1.5201
213 E B -2.3805
214 L B -1.3176
215 S B 0.0000
216 D B -1.8395
217 W B -0.4580
218 S B 0.0000
219 L B 1.0644
220 P B 0.4234
221 A B 0.0368
222 T B -0.6085
223 A B -0.7812
224 T B -1.5568
225 M B 0.0000
226 S B -1.3311
31 R C -2.6367
32 P C -1.9325
33 P C -1.9157
34 G C -1.9182
35 R C -2.6048
36 P C -1.2956
37 Q C -1.0448
38 L C 0.0000
39 S C -0.4673
40 L C -0.0781
41 Q C -1.5046
42 E C -1.0724
43 L C 0.0000
44 R C -1.9175
45 R C -1.6879
46 E C 0.0000
47 F C 0.0000
48 T C -0.8178
49 V C -0.1201
50 S C 0.0000
51 L C 0.0000
52 H C -1.2503
53 L C 0.0000
54 A C 0.0000
55 R C -1.4120
56 K C -1.7929
57 L C 0.0000
58 L C 0.0000
59 S C -1.3392
60 E C -1.3268
61 V C 0.0000
62 R C -1.1419
63 G C -1.1930
64 Q C 0.0000
65 A C 0.0000
66 H C -2.1132
67 R C -2.9619
68 F C 0.0000
69 A C 0.0000
70 E C -2.8842
71 S C -1.9234
72 H C -0.7789
73 L C 0.0000
74 P C -1.4668
75 G C -0.9886
76 V C -0.2245
77 N C -0.3572
78 L C 0.5372
79 Y C 0.9365
80 L C 1.7841
81 L C 1.2606
82 P C 0.9547
83 L C 1.1891
84 G C -0.4057
85 E C -1.4510
86 Q C -1.7649
87 L C -1.0392
88 P C -1.3238
89 D C -1.8911
90 V C 0.0000
91 S C -0.4515
92 L C -0.4023
93 T C -0.6920
94 F C 0.0000
95 Q C -1.6350
96 A C -1.4641
97 W C 0.0000
98 R C -2.7899
99 R C -3.1284
100 L C -2.2520
101 S C -2.2730
102 D C -2.5306
103 P C -1.7526
104 E C -2.2902
105 R C 0.0000
106 L C 0.0000
107 C C -0.5254
108 F C -0.2534
109 I C 0.0000
110 S C 0.0000
111 T C -0.2009
112 T C -0.4068
113 L C 0.0000
114 Q C -1.2169
115 P C -0.4543
116 F C 0.0000
117 H C -0.8672
118 A C -0.1223
119 L C 0.2460
120 L C 0.0000
121 G C -0.4274
122 G C -0.7507
123 L C 0.0000
124 G C -1.0528
125 T C -1.3013
126 Q C -1.6797
127 G C -1.6295
128 R C -2.1892
129 W C 0.0000
130 T C -1.0409
131 N C -1.2420
132 M C 0.2119
133 E C -0.8543
134 R C -0.8142
135 M C 0.2469
136 Q C -0.2148
137 L C 0.0000
138 W C 0.4929
139 A C -0.1079
140 M C 0.0000
141 R C -0.8680
142 L C -0.8769
143 D C -0.9184
144 L C 0.0000
145 R C -2.2221
146 D C 0.0000
147 L C 0.0000
148 Q C 0.0000
149 R C -1.1552
150 H C 0.0000
151 L C 0.0000
152 R C -0.5692
153 F C 0.0000
154 Q C 0.0000
155 V C 0.0000
156 L C 0.0000
157 A C 0.0000
158 A C 0.0000
159 G C 0.0000
160 F C -0.7558
161 N C -1.6174
162 L C 0.0000
163 P C -1.4630
164 E C -2.1426
195 V C 1.2167
196 S C 0.8247
197 W C 0.9095
198 P C -0.1041
199 Q C -0.5906
200 L C 0.1913
201 L C 0.1124
202 S C -0.4160
203 T C -0.2220
204 Y C 0.0000
205 R C -0.1475
206 L C 0.0000
207 L C 0.0000
208 H C 0.0000
209 S C 0.0000
210 L C 0.0000
211 E C 0.0000
212 L C 0.0000
213 V C 0.0000
214 L C 0.0000
215 S C 0.0000
216 R C 0.0000
217 A C 0.0000
218 V C 0.0000
219 R C 0.0000
220 E C 0.0000
221 L C 0.0000
222 L C -0.3931
223 L C -0.5597
224 L C 0.0000
225 S C 0.0000
226 K C -1.8982
31 P D -0.4638
32 R D -1.4974
33 V D -0.8231
34 Q D -1.5505
35 C D 0.0000
36 R D -1.7005
37 A D 0.0000
38 S D -1.4636
39 R D -2.0001
40 Y D 0.0000
41 P D 0.0000
42 I D -0.4944
43 A D 0.0000
44 V D 0.0000
45 D D -1.5389
46 C D 0.0000
47 S D -1.1383
48 W D 0.0000
49 T D -0.0809
50 L D 1.2510
60 V D 1.8283
61 S D 1.0217
62 F D 0.0000
63 I D 1.9643
64 A D 0.0000
65 T D 0.7324
66 Y D 0.0390
67 R D -0.6811
68 L D -0.0908
69 G D 0.0940
70 M D 0.7554
71 A D 0.2316
76 S D -0.1325
77 W D 0.5803
78 P D 0.6670
79 C D 0.0000
80 L D 1.2772
81 Q D 0.1198
82 Q D -1.0566
83 T D -0.4291
84 P D 0.2356
85 T D 0.2110
86 S D -0.1958
87 T D 0.1466
88 S D -0.5927
89 C D 0.0000
90 T D -0.3123
91 I D 0.0000
92 T D -0.7455
93 D D -1.4034
94 V D 0.0000
95 Q D -0.4261
96 L D 0.0000
97 F D 0.0000
98 S D 0.0000
99 M D 0.0436
100 A D 0.4634
101 P D 0.0000
102 Y D 0.0000
103 V D 0.0000
104 L D 0.0000
105 N D 0.7050
106 V D 0.0000
107 T D 0.6856
108 A D 0.7968
116 S D 0.3818
117 S D 0.4724
118 F D 1.6040
119 V D 0.7547
120 P D 0.5760
121 F D 0.0000
122 I D 0.0000
123 T D 0.0000
124 E D 0.0000
125 H D -0.9101
126 I D -0.8838
127 I D 0.0000
128 K D -1.9052
129 P D 0.0000
130 D D -1.4788
131 P D -1.2398
132 P D 0.0000
133 E D -2.2288
134 G D -1.9341
135 V D 0.0000
136 R D -2.5999
137 L D -0.8374
138 S D -0.5019
139 P D -0.3268
140 L D -0.3471
141 A D -1.0459
142 E D -3.0711
143 R D -3.5842
144 Q D -2.1342
145 L D 0.0000
146 Q D -0.4059
147 V D 0.0000
148 Q D -1.8308
149 W D 0.0000
150 E D -2.8678
151 P D -1.5191
152 P D 0.0000
153 G D -1.2821
154 S D -0.8828
155 W D 0.0000
156 P D -0.5496
157 F D -0.3416
158 P D -0.7211
159 E D -1.4502
160 I D -0.2001
161 F D 0.0000
162 S D -0.6718
163 L D 0.0000
164 K D 0.0000
165 Y D 0.0000
166 W D -0.5197
167 I D 0.0000
168 R D -1.3230
169 Y D 0.0000
170 K D -2.2435
171 R D -3.1549
172 Q D -2.5250
173 G D -1.8639
174 A D -1.5573
175 A D -1.2349
176 R D -2.2202
177 F D -1.3366
178 H D -2.2014
179 R D -2.3042
180 V D -0.7794
181 G D -0.7670
182 P D -0.8769
183 I D 0.0000
184 E D -1.8086
185 A D -1.0822
186 T D -0.9735
187 S D -0.6554
188 F D 0.3686
189 I D 0.1062
190 L D 0.0000
191 R D -2.6162
192 A D -1.6318
193 V D 0.0000
194 R D -3.6039
195 P D -2.7399
196 R D -2.5260
197 A D -2.5484
198 R D -2.4974
199 Y D 0.0000
200 Y D -0.5839
201 V D 0.0000
202 Q D 0.0000
203 V D 0.0000
204 A D 0.0000
205 A D 0.0000
206 Q D -1.1599
207 D D 0.0000
208 L D 0.0000
209 T D 0.0000
210 D D -1.9847
211 Y D 0.0000
212 G D -1.6713
213 E D -2.5069
214 L D -1.4298
215 S D 0.0000
216 D D -1.8515
217 W D -0.4882
218 S D 0.0000
219 L D 1.0121
220 P D 0.3170
221 A D 0.0000
222 T D -0.7405
223 A D -0.7655
224 T D -1.3269
225 M D -1.3663
1 E H -2.0614
2 V H -0.6327
3 Q H -0.5205
4 L H 0.0000
5 V H 0.0014
6 E H -0.4031
7 S H -0.5829
8 G H -0.8959
9 G H -0.5695
10 G H -0.3215
11 L H -0.2441
12 V H 0.0000
13 K H -2.0841
14 P H -1.7928
15 G H -1.4400
16 G H -1.2063
17 S H -1.2762
18 L H -1.3220
19 R H -2.2615
20 L H 0.0000
21 S H -0.6949
22 C H 0.0000
23 A H 0.0000
24 A H 0.0000
25 S H 0.0000
26 G H -0.5978
27 F H -0.3955
28 T H -0.5483
29 F H 0.0000
30 R H -1.6099
31 S H -1.4082
32 Y H 0.0000
33 G 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 -0.8800
40 A H -1.2447
41 P H -0.9795
42 G H -1.4702
43 K H -2.3059
44 G H -1.4663
45 L H 0.0000
46 E H -1.1282
47 W H 0.0000
48 V H 0.0000
49 S H 0.0000
50 G H 0.0000
51 I H 0.0000
52 S H 0.0000
53 S H -1.0036
54 S H -0.7630
55 G H -0.2267
56 S H -0.0455
57 Y H 0.0000
58 I H 1.0599
59 Y H 0.0000
60 Y H -0.6607
61 A H -1.3993
62 D H -2.4659
63 S H -1.8208
64 V H 0.0000
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Laboratory of Theory of Biopolymers 2018