Project name: query_structure

Chain sequence(s)	A: QVQLVESGGGGGLLVQAGGSLRLSCCAASGYIIFGRNAMGWYRQAPGKERELVAGITRRGSITYYADSVKGRFTISRDNAKNTVYLQMNSLKPEDTAVYYCCAADPAASSPPAAYYGGDYWGQGTQVTVS; C: QVQLVESGGGLVQAGGSSLRLSCAASGYIFGRNAMGWYRQAPGKERELVAGITRRGSITYYADSVKGRFTISRDNAKNTVYLQMNSLKPEDTAVYYCCAADPASPAYGDYWGQGTQVTVSS
Selected Chain(s)	A,C
Distance of aggregation	10 Å
FoldX usage	Yes
Dynamic mode	No
Automated mutations	No

Simulation log

[INFO]       Logger:   Verbosity set to: 2 - [INFO]                                                (00:00:02)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:02)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with all chain(s) selected           (00:00:02)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:02)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:02)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:05:22)
[INFO]       Main:     Simulation completed successfully.                                          (00:05:24)

• Minimal score value: -3.8848
• Maximal score value: 1.2534
• Average score: -0.7727
• Total score value: -183.1191

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
1	Q	A	-1.3764
2	V	A	-0.3448
3	Q	A	-1.1428
4	L	A	0.0000
5	V	A	0.3266
6	E	A	0.0000
7	S	A	-0.7367
8	G	A	-1.1363
9	G	A	-0.7179
10	G	A	0.0364
11	L	A	1.0783
12	V	A	-0.0551
13	Q	A	-1.2883
14	A	A	-1.5582
15	G	A	-1.4391
16	G	A	-1.1332
17	S	A	-1.3570
18	L	A	-0.9410
19	R	A	-2.1292
20	L	A	0.0000
21	S	A	-0.5618
22	C	A	0.0000
23	A	A	-0.0291
24	A	A	0.1128
25	S	A	-0.3418
26	G	A	-0.5018
27	Y	A	0.5982
28	I	A	1.2534
29	F	A	0.0000
30	G	A	-1.0777
31	R	A	-2.4871
32	N	A	-1.4080
33	A	A	-1.4924
34	M	A	0.0000
35	G	A	0.0000
36	W	A	0.0000
37	Y	A	-0.5866
38	R	A	-1.6319
39	Q	A	-2.5025
40	A	A	-2.2306
41	P	A	-1.6847
42	G	A	-1.9729
43	K	A	-3.5396
44	E	A	-3.8510
45	R	A	-3.2276
46	E	A	-2.9833
47	L	A	-0.8654
48	V	A	0.0000
49	A	A	0.0000
50	G	A	0.0000
51	I	A	0.0000
52	T	A	0.0000
53	R	A	-2.4018
54	R	A	-1.3534
55	G	A	-1.3789
56	S	A	-1.1233
57	I	A	-0.2899
58	T	A	0.0530
59	Y	A	0.0323
60	Y	A	-0.6169
61	A	A	-1.3295
62	D	A	-2.3918
63	S	A	-1.7937
64	V	A	0.0000
65	K	A	-2.5595
66	G	A	-1.8175
67	R	A	-1.5117
68	F	A	0.0000
69	T	A	-0.8927
70	I	A	0.0000
71	S	A	-0.7372
72	R	A	-1.7250
73	D	A	-2.1872
74	N	A	-2.3164
75	A	A	-1.7307
76	K	A	-2.2505
77	N	A	-1.2513
78	T	A	0.0000
79	V	A	0.0000
80	Y	A	0.0000
81	L	A	0.0000
82	Q	A	-1.3503
83	M	A	0.0000
84	N	A	-1.7397
85	S	A	-1.4001
86	L	A	0.0000
87	K	A	-2.7064
88	P	A	-2.0847
89	E	A	-2.5092
90	D	A	0.0000
91	T	A	-0.9764
92	A	A	0.0000
93	V	A	-0.4083
94	Y	A	0.0000
95	Y	A	-0.2790
96	C	A	0.0000
97	A	A	0.0000
98	A	A	0.0000
99	D	A	-0.8653
100	P	A	0.1459
101	A	A	-0.2258
102	S	A	-0.4235
103	P	A	-0.2334
104	A	A	0.2898
105	Y	A	0.9883
106	G	A	0.1397
107	D	A	-0.1196
108	Y	A	0.0754
109	W	A	0.2571
110	G	A	0.0000
111	Q	A	-0.9310
112	G	A	-0.5539
113	T	A	-0.6741
114	Q	A	-0.7553
115	V	A	0.0000
116	T	A	-0.2988
117	V	A	0.0000
118	S	A	-0.8926
1	Q	C	-1.2462
2	V	C	-0.2540
3	Q	C	-0.7666
4	L	C	0.0000
5	V	C	0.5047
6	E	C	0.0000
7	S	C	-0.7053
8	G	C	-1.1287
9	G	C	-0.7124
10	G	C	0.1807
11	L	C	1.0982
12	V	C	0.0104
13	Q	C	-1.2109
14	A	C	-1.4337
15	G	C	-1.3297
16	G	C	-1.0371
17	S	C	-1.2242
18	L	C	-1.0094
19	R	C	-2.0629
20	L	C	0.0000
21	S	C	-0.4761
22	C	C	0.0000
23	A	C	-0.0517
24	A	C	0.1425
25	S	C	-0.2935
26	G	C	-0.4723
27	Y	C	0.4449
28	I	C	0.7656
29	F	C	0.0000
30	G	C	-1.2320
31	R	C	-2.5272
32	N	C	-1.4415
33	A	C	0.0000
34	M	C	0.0000
35	G	C	0.0000
36	W	C	0.0000
37	Y	C	-0.7332
38	R	C	-1.6499
39	Q	C	-2.4417
40	A	C	-2.1941
41	P	C	-1.6682
42	G	C	-1.9557
43	K	C	-3.5327
44	E	C	-3.8848
45	R	C	-3.3745
46	E	C	-3.1809
47	L	C	0.0000
48	V	C	0.0000
49	A	C	0.0000
50	G	C	0.0000
51	I	C	0.0000
52	T	C	0.0000
53	R	C	-2.4312
54	R	C	-1.5787
55	G	C	-1.1108
56	S	C	-1.2166
57	I	C	-0.1284
58	T	C	-0.1051
59	Y	C	0.0000
60	Y	C	-0.7828
61	A	C	-1.4589
62	D	C	-2.4032
63	S	C	-1.8008
64	V	C	0.0000
65	K	C	-2.6026
66	G	C	-1.8017
67	R	C	-1.4276
68	F	C	0.0000
69	T	C	-0.8367
70	I	C	0.0000
71	S	C	-0.6157
72	R	C	-1.5675
73	D	C	-1.9574
74	N	C	-2.3009
75	A	C	-1.6869
76	K	C	-2.2534
77	N	C	-1.3986
78	T	C	0.0000
79	V	C	0.0000
80	Y	C	-0.6378
81	L	C	0.0000
82	Q	C	-1.1428
83	M	C	0.0000
84	N	C	-1.4946
85	S	C	-1.2363
86	L	C	0.0000
87	K	C	-2.2495
88	P	C	-1.8392
89	E	C	-2.3227
90	D	C	0.0000
91	T	C	-0.8794
92	A	C	0.0000
93	V	C	-0.4292
94	Y	C	0.0000
95	Y	C	-0.3069
96	C	C	0.0000
97	A	C	0.0000
98	A	C	0.0000
99	D	C	0.0000
100	P	C	0.2047
101	A	C	-0.2543
102	S	C	-0.4004
103	P	C	-0.2330
104	A	C	0.3682
105	Y	C	1.0715
106	G	C	0.2966
107	D	C	-0.0486
108	Y	C	0.3451
109	W	C	0.4779
110	G	C	-0.1183
111	Q	C	-0.8874
112	G	C	-0.5250
113	T	C	-0.6997
114	Q	C	-0.7924
115	V	C	0.0000
116	T	C	-0.2286
117	V	C	0.0000
118	S	C	-0.7835
119	S	C	-0.7930