Project name: 7ST5

Chain sequence(s)	A: EELQVIQPDKSVETATLRCTATSLIPVGPIQWFRGAGPGRELIYNQKEGHFPRVTTVSDLTKRNNMDFSIRITPADAGTYYCVKFRKGSPDDVEFKSGAGTELS; F: ELQVIQPDKSVETATLRCTATSLIPVGPIQWFRGAGPGRELIYNQKEGHFPRVTTVSDLTKRNNMDFSIRITPADAGTYYCVKFRKGSPDDVEFKSGAGTEL; H: VQLVQSGAEVKKPGASVKVSCKASGYTFRGYGISWVRQAPGQGLEWMGWISAYGGETNYAQKLQGRVTMTTDTSTSTAYMELRSLRSDDTAVYYCAREAGSSWYDFDLWGRGTLVTVSSASTKGPSVFPLAPTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSQTYICNVNHKPSNTKVDKKVEP; l: DIQMTQSPSSVSASVGDRVTITCRASQGISSWLAWYQQKPGKAPKLLIYAASNLQSGVPSRFSGSGSGTDFTLTISSLQPEDFATYYCQQGASFPITFGGGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNR; L: DIQMTQSPSSVSASVGDRVTITCRASQGISSWLAWYQQKPGKAPKLLIYAASNLQSGVPSRFSGSGSGTDFTLTISSLQPEDFATYYCQQGASFPITFGGGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNR; h: VQLVQSGAEVKKPGASVKVSCKASGYTFRGYGISWVRQAPGQGLEWMGWISAYGGETNYAQKLQGRVTMTTDTSTSTAYMELRSLRSDDTAVYYCAREAGSSWYDFDLWGRGTLVTVSSASTKGPSVFPLAPTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSTYICNVNHKPSNTKVDKKVEP
Selected Chain(s)	A,F,H,l,L,h
Distance of aggregation	10 Å
FoldX usage	Yes
Dynamic mode	No
Automated mutations	No

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                                          (00:10:48)
[INFO]       Main:     Simulation completed successfully.                                          (00:11:00)

• Minimal score value: -3.7266
• Maximal score value: 1.2369
• Average score: -0.676
• Total score value: -703.0331

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
2	V	H	1.2369
3	Q	H	-0.3086
4	L	H	0.0000
5	V	H	0.7460
6	Q	H	0.0000
7	S	H	-0.4574
8	G	H	-0.2708
9	A	H	-0.0394
10	E	H	-0.3449
11	V	H	0.3286
12	K	H	-1.2204
13	K	H	-2.2985
14	P	H	-2.3712
15	G	H	-1.7735
16	A	H	-1.3435
17	S	H	-1.6041
18	V	H	0.0000
19	K	H	-1.9625
20	V	H	0.0000
21	S	H	-0.4040
22	C	H	0.0000
23	K	H	-0.8996
24	A	H	0.0000
25	S	H	-0.1108
26	G	H	0.2468
27	Y	H	0.1281
28	T	H	-0.0896
29	F	H	0.0000
30	R	H	-0.8876
31	G	H	0.0000
32	Y	H	0.0431
33	G	H	0.0000
34	I	H	0.0000
35	S	H	0.0000
36	W	H	0.0000
37	V	H	0.0000
38	R	H	0.0000
39	Q	H	-0.6006
40	A	H	-0.9660
41	P	H	-0.9608
42	G	H	-1.2680
43	Q	H	-1.7401
44	G	H	-1.1597
45	L	H	0.0000
46	E	H	-0.6604
47	W	H	0.0000
48	M	H	0.0000
49	G	H	0.0000
50	W	H	0.0000
51	I	H	0.0000
52	S	H	0.0000
53	A	H	0.0000
54	Y	H	-0.2441
55	G	H	-0.5540
56	G	H	-0.8008
57	E	H	-0.9144
58	T	H	-0.4495
59	N	H	-0.5062
60	Y	H	-0.8374
61	A	H	0.0000
62	Q	H	-2.6374
63	K	H	-2.6702
64	L	H	0.0000
65	Q	H	-2.2567
66	G	H	-1.6679
67	R	H	-1.4945
68	V	H	0.0000
69	T	H	-0.7017
70	M	H	0.0000
71	T	H	-0.2367
72	T	H	-0.6420
73	D	H	-1.0946
74	T	H	-0.7604
75	S	H	-0.5228
76	T	H	-0.6557
77	S	H	-0.8929
78	T	H	0.0000
79	A	H	0.0000
80	Y	H	-0.3630
81	M	H	0.0000
82	E	H	-1.2212
83	L	H	0.0000
84	R	H	-1.6893
85	S	H	-1.5920
86	L	H	0.0000
87	R	H	-3.1817
88	S	H	-2.3909
89	D	H	-2.5172
90	D	H	0.0000
91	T	H	-0.8982
92	A	H	0.0000
93	V	H	0.1296
94	Y	H	0.0000
95	Y	H	0.0000
96	C	H	0.0000
97	A	H	0.0000
98	R	H	-0.2927
99	E	H	0.0000
100	A	H	0.0000
101	G	H	0.0000
102	S	H	-0.3852
103	S	H	0.0000
104	W	H	0.0000
105	Y	H	0.0000
106	D	H	0.0000
107	F	H	0.0000
108	D	H	-0.6658
109	L	H	-0.4135
110	W	H	-0.8131
111	G	H	0.0000
112	R	H	-1.9278
113	G	H	0.0000
114	T	H	0.0000
115	L	H	0.2926
116	V	H	0.0000
117	T	H	0.0000
118	V	H	0.0000
119	S	H	-1.3737
120	S	H	-1.2037
121	A	H	-0.6876
122	S	H	-0.8076
123	T	H	-0.8263
124	K	H	-1.8394
125	G	H	-1.6972
126	P	H	0.0000
127	S	H	-0.5604
128	V	H	0.0000
129	F	H	0.0000
130	P	H	-0.9799
131	L	H	0.0000
132	A	H	-0.8888
133	P	H	-0.6257
142	T	H	-0.2501
143	A	H	-0.1956
144	A	H	0.0000
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	0.0000
151	D	H	-0.6172
152	Y	H	0.0000
153	F	H	0.0000
154	P	H	0.0000
155	E	H	-0.6304
156	P	H	-0.9422
157	V	H	-0.8139
158	T	H	-0.6619
159	V	H	-0.3717
160	S	H	-0.4385
161	W	H	0.0000
162	N	H	-0.8243
163	S	H	-0.6527
164	G	H	-0.5600
165	A	H	-0.2306
166	L	H	0.0470
167	T	H	-0.1610
168	S	H	-0.1823
169	G	H	-0.4817
170	V	H	0.1522
171	H	H	-0.3536
172	T	H	0.0081
173	F	H	0.0000
174	P	H	-0.4459
175	A	H	-0.0048
176	V	H	0.1693
177	L	H	0.6957
178	Q	H	0.0670
179	S	H	-0.2707
180	S	H	-0.2815
181	G	H	-0.1104
182	L	H	-0.2035
183	Y	H	0.0000
184	S	H	0.0000
185	L	H	0.0000
186	S	H	0.0000
187	S	H	0.0000
188	V	H	0.0000
189	V	H	0.0000
190	T	H	-0.1760
191	V	H	0.0000
192	P	H	-0.3830
193	S	H	-0.3857
199	Q	H	-1.1858
200	T	H	-1.1633
201	Y	H	-1.1970
202	I	H	-1.3660
203	C	H	0.0000
204	N	H	-1.4840
205	V	H	0.0000
206	N	H	-2.0746
207	H	H	0.0000
208	K	H	-2.7675
209	P	H	-1.6227
210	S	H	-1.9869
211	N	H	-2.5985
212	T	H	-2.1746
213	K	H	-2.6968
214	V	H	-1.4678
215	D	H	-2.5457
216	K	H	-2.0676
217	K	H	-2.6600
218	V	H	0.0000
219	E	H	-2.4464
220	P	H	-1.3840
1	D	L	-2.2716
2	I	L	-1.6004
3	Q	L	-2.0986
4	M	L	0.0000
5	T	L	-1.1969
6	Q	L	-0.8616
7	S	L	-0.5800
8	P	L	-0.5718
9	S	L	-0.7950
10	S	L	-0.7626
11	V	L	-0.4597
12	S	L	-0.9147
13	A	L	0.0000
14	S	L	-0.7246
15	V	L	0.0732
16	G	L	-0.9439
17	D	L	-1.9983
18	R	L	-2.4789
19	V	L	0.0000
20	T	L	-0.6021
21	I	L	0.0000
22	T	L	-0.8060
23	C	L	0.0000
24	R	L	-2.4149
25	A	L	0.0000
26	S	L	-1.9628
27	Q	L	-2.2195
28	G	L	-1.4196
29	I	L	0.0000
30	S	L	-1.1626
31	S	L	-0.7787
32	W	L	0.0000
33	L	L	0.0000
34	A	L	0.0000
35	W	L	0.0000
36	Y	L	0.0000
37	Q	L	0.0000
38	Q	L	-1.4551
39	K	L	-1.8893
40	P	L	-1.6339
41	G	L	-1.7984
42	K	L	-2.8262
43	A	L	-1.9580
44	P	L	0.0000
45	K	L	-1.8548
46	L	L	0.0000
47	L	L	0.0000
48	I	L	0.0000
49	Y	L	0.0000
50	A	L	0.0000
51	A	L	0.0000
52	S	L	-0.3761
53	N	L	0.0000
54	L	L	0.1290
55	Q	L	-0.3264
56	S	L	-0.3448
57	G	L	-0.4755
58	V	L	-0.1543
59	P	L	-0.3372
60	S	L	-0.4200
61	R	L	-0.9060
62	F	L	0.0000
63	S	L	-0.3002
64	G	L	-0.2732
65	S	L	-0.7178
66	G	L	-1.1411
67	S	L	-1.0002
68	G	L	-1.3556
69	T	L	-1.9119
70	D	L	-2.5183
71	F	L	0.0000
72	T	L	-0.7751
73	L	L	0.0000
74	T	L	-0.6281
75	I	L	0.0000
76	S	L	-1.4515
77	S	L	-1.2864
78	L	L	0.0000
79	Q	L	-0.9263
80	P	L	-0.9292
81	E	L	-1.9178
82	D	L	0.0000
83	F	L	-0.5630
84	A	L	0.0000
85	T	L	0.0000
86	Y	L	0.0000
87	Y	L	0.0000
88	C	L	0.0000
89	Q	L	0.0000
90	Q	L	0.0000
91	G	L	0.0000
92	A	L	-0.3966
93	S	L	-0.3955
94	F	L	-0.0810
95	P	L	-0.4633
96	I	L	0.0000
97	T	L	-0.6267
98	F	L	0.0000
99	G	L	0.0000
100	G	L	-1.1139
101	G	L	-0.9248
102	T	L	0.0000
103	K	L	-1.4013
104	V	L	0.0000
105	E	L	0.0000
106	I	L	-0.4636
107	K	L	-1.3672
108	R	L	-0.8962
109	T	L	-0.0799
110	V	L	0.5817
111	A	L	0.1908
112	A	L	-0.0938
113	P	L	0.0000
114	S	L	-0.1222
115	V	L	0.0000
116	F	L	0.1773
117	I	L	0.1433
118	F	L	0.0000
119	P	L	-0.6672
120	P	L	-0.7414
121	S	L	-1.6420
122	D	L	-3.0400
123	E	L	-3.0728
124	Q	L	0.0000
125	L	L	-2.3224
126	K	L	-2.9521
127	S	L	-1.8384
128	G	L	-1.4786
129	T	L	-0.9549
130	A	L	0.0000
131	S	L	0.0000
132	V	L	0.0000
133	V	L	0.0000
134	C	L	0.0000
135	L	L	0.0000
136	L	L	0.0000
137	N	L	0.0000
138	N	L	-0.9326
139	F	L	0.0000
140	Y	L	0.0000
141	P	L	-1.2689
142	R	L	-2.1223
143	E	L	-2.7449
144	A	L	-2.0625
145	K	L	-2.2260
146	V	L	-1.1613
147	Q	L	-0.5280
148	W	L	0.0000
149	K	L	-0.4215
150	V	L	0.0000
151	D	L	-1.9338
152	N	L	-1.5608
153	A	L	-0.2684
154	L	L	0.7465
155	Q	L	-0.3234
156	S	L	-0.6754
157	G	L	-1.3146
158	N	L	-1.6754
159	S	L	-1.5430
160	Q	L	-1.6073
161	E	L	-1.9388
162	S	L	-0.7963
163	V	L	-0.5867
164	T	L	-1.0402
165	E	L	-2.1259
166	Q	L	-1.6997
167	D	L	-1.9447
168	S	L	-1.7412
169	K	L	-2.2664
170	D	L	-1.7242
171	S	L	-1.6583
172	T	L	0.0000
173	Y	L	0.0000
174	S	L	0.0000
175	L	L	0.0000
176	S	L	0.0000
177	S	L	0.0000
178	T	L	-0.7562
179	L	L	0.0000
180	T	L	-0.5270
181	L	L	-0.7383
182	S	L	-1.1104
183	K	L	-1.9003
184	A	L	-1.6683
185	D	L	-2.2742
186	Y	L	0.0000
187	E	L	-3.7266
188	K	L	-3.4903
189	H	L	-3.2944
190	K	L	-3.7007
191	V	L	-2.0515
192	Y	L	0.0000
193	A	L	0.0000
194	C	L	0.0000
195	E	L	-0.7484
196	V	L	0.0000
197	T	L	-1.2153
198	H	L	0.0000
199	Q	L	-1.4486
200	G	L	-0.3803
201	L	L	-0.1503
202	S	L	-0.4028
203	S	L	-0.3989
204	P	L	-0.4987
205	V	L	0.0302
206	T	L	-0.4203
207	K	L	-0.6566
208	S	L	-0.8329
209	F	L	-1.2373
210	N	L	-2.6448
211	R	L	-3.1622
3	E	F	-2.1556
4	L	F	0.0000
5	Q	F	-1.7447
6	V	F	0.0000
7	I	F	-0.4057
8	Q	F	-0.9709
9	P	F	-1.1596
10	D	F	-2.0137
11	K	F	-2.4016
12	S	F	-0.8911
13	V	F	0.9823
19	E	F	-1.9706
20	T	F	-1.4828
21	A	F	-0.3810
22	T	F	-0.4494
23	L	F	0.0000
24	R	F	-1.1434
25	C	F	0.0000
26	T	F	-0.4843
27	A	F	0.0000
28	T	F	-0.4590
29	S	F	-0.1493
30	L	F	0.9179
31	I	F	0.4871
32	P	F	0.0000
33	V	F	0.0000
34	G	F	0.0000
35	P	F	0.0000
36	I	F	0.0000
37	Q	F	-0.2316
38	W	F	0.0000
39	F	F	-0.3471
40	R	F	-0.9860
41	G	F	-1.0720
42	A	F	-0.7885
43	G	F	-1.0684
44	P	F	-0.9952
45	G	F	-1.2858
46	R	F	-1.5171
47	E	F	-1.3581
48	L	F	0.0333
49	I	F	0.1714
50	Y	F	-0.3215
51	N	F	-0.7333
52	Q	F	0.0000
53	K	F	-1.3061
54	E	F	-2.3420
55	G	F	-1.7082
56	H	F	-1.6391
57	F	F	-0.9671
58	P	F	-1.2093
59	R	F	-2.0805
60	V	F	0.0000
61	T	F	-0.5459
62	T	F	0.1217
63	V	F	0.9870
64	S	F	-0.0149
65	D	F	-1.1602
66	L	F	0.0000
67	T	F	-1.2122
68	K	F	-1.8627
69	R	F	-1.3579
70	N	F	-1.6056
71	N	F	-1.3278
72	M	F	-0.5417
73	D	F	-0.5329
74	F	F	0.0000
75	S	F	0.0000
76	I	F	0.0000
77	R	F	-1.7031
78	I	F	-1.2543
82	T	F	-0.5024
83	P	F	-0.2272
84	A	F	-0.2459
85	D	F	-0.1846
86	A	F	-0.2120
87	G	F	-0.4807
88	T	F	-0.9501
89	Y	F	0.0000
90	Y	F	-0.2509
91	C	F	0.0000
92	V	F	0.0000
93	K	F	0.0000
94	F	F	0.0000
95	R	F	-0.3862
96	K	F	0.0000
97	G	F	0.0000
98	S	F	-1.0248
99	P	F	-1.2004
100	D	F	-2.0319
101	D	F	-1.0933
102	V	F	-0.4621
103	E	F	-0.9425
104	F	F	-0.5791
105	K	F	-1.2648
106	S	F	-0.6597
107	G	F	0.0000
108	A	F	-0.3830
109	G	F	-0.8717
110	T	F	0.0000
111	E	F	-1.6066
112	L	F	0.4020
2	V	h	1.0062
3	Q	h	-0.3361
4	L	h	0.0000
5	V	h	0.5001
6	Q	h	0.0000
7	S	h	-0.4305
8	G	h	-0.2103
9	A	h	0.1435
10	E	h	-0.0689
11	V	h	0.5851
12	K	h	-1.1016
13	K	h	-2.2474
14	P	h	-2.3334
15	G	h	-1.7506
16	A	h	-1.3114
17	S	h	-1.6046
18	V	h	0.0000
19	K	h	-1.9451
20	V	h	0.0000
21	S	h	-0.4147
22	C	h	0.0000
23	K	h	-0.9497
24	A	h	0.0000
25	S	h	-0.1306
26	G	h	0.0396
27	Y	h	0.0845
28	T	h	-0.1583
29	F	h	0.0000
30	R	h	-1.0963
31	G	h	0.0000
32	Y	h	0.0133
33	G	h	0.0000
34	I	h	0.0000
35	S	h	0.0000
36	W	h	0.0000
37	V	h	0.0000
38	R	h	0.0000
39	Q	h	-0.5755
40	A	h	-0.9405
41	P	h	-0.9568
42	G	h	-1.2664
43	Q	h	-1.7344
44	G	h	-1.1487
45	L	h	0.0000
46	E	h	-0.6293
47	W	h	0.0000
48	M	h	0.0000
49	G	h	0.0000
50	W	h	0.0000
51	I	h	0.0000
52	S	h	0.0000
53	A	h	0.0000
54	Y	h	-0.3673
55	G	h	-0.5755
56	G	h	-0.8491
57	E	h	-0.9171
58	T	h	-0.4537
59	N	h	-0.5613
60	Y	h	-0.8557
61	A	h	0.0000
62	Q	h	-2.6528
63	K	h	-2.6756
64	L	h	0.0000
65	Q	h	-2.2812
66	G	h	-1.6829
67	R	h	-1.5066
68	V	h	0.0000
69	T	h	-0.7178
70	M	h	0.0000
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