Project name: P1B9

Chain sequence(s)	H: QVQLQQSGAELLKPGASVKVSCKASGYTFTNYWMHWVKQRPGRGLEWIGRIDPDNGDSRYNEKFKTKATLTVDKPSSTAYMQLSSLTSEDSAVYYCARRAYYSKDALDYWGQGTSVTVSS; L: DIVLTQSPASLAVSLGQRATISCRASESVDNYGISFMHWYQQKPGQPPKLLIYRASNLESGIPARFSGSGSRTDFTLTINPVETDDVATYYCQQSNKDPLTFGAGTKLELK
Selected Chain(s)	H,L
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                                          (00:01:38)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:39)

• Minimal score value: -3.4944
• Maximal score value: 1.4416
• Average score: -0.7509
• Total score value: -173.4594

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	H	-1.4586
2	V	H	-0.8168
3	Q	H	-1.5890
4	L	H	0.0000
5	Q	H	-2.0703
6	Q	H	0.0000
7	S	H	-0.9765
8	G	H	-0.7116
9	A	H	-0.0053
11	E	H	-0.0115
12	L	H	0.9517
13	L	H	-0.2484
14	K	H	-1.7487
15	P	H	-1.4341
16	G	H	-1.1442
17	A	H	-0.9288
18	S	H	-0.9609
19	V	H	0.0000
20	K	H	-1.1981
21	V	H	0.0000
22	S	H	-0.6509
23	C	H	0.0000
24	K	H	-1.5961
25	A	H	0.0000
26	S	H	-1.0985
27	G	H	-0.9458
28	Y	H	-0.4870
29	T	H	-0.4670
30	F	H	0.0000
35	T	H	-1.5284
36	N	H	-1.0336
37	Y	H	-0.0987
38	W	H	-0.2555
39	M	H	0.0000
40	H	H	0.0000
41	W	H	0.0000
42	V	H	0.0000
43	K	H	0.0000
44	Q	H	-1.0878
45	R	H	-1.6338
46	P	H	-1.2119
47	G	H	-1.6418
48	R	H	-2.4876
49	G	H	-1.4557
50	L	H	0.0000
51	E	H	-1.4655
52	W	H	0.0000
53	I	H	0.0000
54	G	H	0.0000
55	R	H	-0.7652
56	I	H	0.0000
57	D	H	-1.5659
58	P	H	0.0000
59	D	H	-2.9620
62	N	H	-2.4030
63	G	H	-1.7259
64	D	H	-1.6839
65	S	H	-1.1475
66	R	H	-1.9686
67	Y	H	-1.9333
68	N	H	-2.6412
69	E	H	-3.4944
70	K	H	-3.2100
71	F	H	0.0000
72	K	H	-3.0651
74	T	H	-1.6561
75	K	H	-1.4550
76	A	H	0.0000
77	T	H	-0.6793
78	L	H	0.0000
79	T	H	-0.2889
80	V	H	-0.6465
81	D	H	-1.1736
82	K	H	-1.8492
83	P	H	-0.9375
84	S	H	-0.8410
85	S	H	-0.9512
86	T	H	0.0000
87	A	H	0.0000
88	Y	H	-0.1708
89	M	H	0.0000
90	Q	H	-0.9813
91	L	H	0.0000
92	S	H	-0.7712
93	S	H	-0.8416
94	L	H	0.0000
95	T	H	-1.3090
96	S	H	-1.4549
97	E	H	-2.0127
98	D	H	0.0000
99	S	H	-0.6487
100	A	H	0.0000
101	V	H	-0.0030
102	Y	H	0.0000
103	Y	H	0.0000
104	C	H	0.0000
105	A	H	0.0000
106	R	H	0.0000
107	R	H	0.1985
108	A	H	0.0000
109	Y	H	1.2563
110	Y	H	1.4416
111	S	H	0.4771
112	K	H	0.0229
113	D	H	0.1910
114	A	H	0.0000
115	L	H	0.0000
116	D	H	-0.2685
117	Y	H	0.0937
118	W	H	-0.5704
119	G	H	0.0000
120	Q	H	-1.8374
121	G	H	-1.0226
122	T	H	0.0000
123	S	H	-0.1516
124	V	H	0.0000
125	T	H	-0.1006
126	V	H	0.0000
127	S	H	-0.5541
128	S	H	-0.7113
1	D	L	-2.1175
2	I	L	0.0000
3	V	L	0.6044
4	L	L	0.0000
5	T	L	-0.4822
6	Q	L	-0.5327
7	S	L	-0.5717
8	P	L	-0.4667
9	A	L	-0.5264
10	S	L	-1.1127
11	L	L	-0.8503
12	A	L	-1.0733
13	V	L	0.0000
14	S	L	-1.5236
15	L	L	-0.9054
16	G	L	-1.5815
17	Q	L	-2.6578
18	R	L	-2.8964
19	A	L	0.0000
20	T	L	-0.6268
21	I	L	0.0000
22	S	L	-0.8808
23	C	L	0.0000
24	R	L	-2.6350
25	A	L	0.0000
26	S	L	-1.5457
27	E	L	-2.8636
28	S	L	-2.4880
29	V	L	0.0000
30	D	L	-1.4614
31	N	L	-0.7473
34	Y	L	0.8526
35	G	L	-0.1023
36	I	L	0.0286
37	S	L	-0.7328
38	F	L	-0.5717
39	M	L	0.0000
40	H	L	0.0000
41	W	L	0.0000
42	Y	L	0.0000
43	Q	L	-0.9014
44	Q	L	-1.2327
45	K	L	-1.5202
46	P	L	-1.0434
47	G	L	-1.3884
48	Q	L	-2.0890
49	P	L	-1.3538
50	P	L	0.0000
51	K	L	-1.3941
52	L	L	0.0000
53	L	L	0.0000
54	I	L	0.0000
55	Y	L	-0.5224
56	R	L	-0.6792
57	A	L	0.0000
65	S	L	-0.8764
66	N	L	-1.2199
67	L	L	-0.2973
68	E	L	-0.5870
69	S	L	-0.5010
70	G	L	-0.4824
71	I	L	-0.2676
72	P	L	-0.1973
74	A	L	-0.2185
75	R	L	-0.8302
76	F	L	0.0000
77	S	L	-0.5214
78	G	L	-0.5739
79	S	L	-0.8887
80	G	L	-1.4762
83	S	L	-1.7650
84	R	L	-2.9916
85	T	L	-2.6618
86	D	L	-2.6347
87	F	L	0.0000
88	T	L	-0.7835
89	L	L	0.0000
90	T	L	-0.7841
91	I	L	0.0000
92	N	L	-2.0978
93	P	L	-1.8984
94	V	L	0.0000
95	E	L	-1.8333
96	T	L	-1.4571
97	D	L	-1.9164
98	D	L	0.0000
99	V	L	-0.9712
100	A	L	0.0000
101	T	L	0.0000
102	Y	L	0.0000
103	Y	L	0.0000
104	C	L	0.0000
105	Q	L	0.0000
106	Q	L	0.0000
107	S	L	0.0000
108	N	L	-1.5703
109	K	L	-2.7839
114	D	L	-2.3307
115	P	L	-2.1885
116	L	L	0.0000
117	T	L	-0.4276
118	F	L	0.2205
119	G	L	0.0000
120	A	L	-0.4562
121	G	L	-0.8314
122	T	L	0.0000
123	K	L	-2.0968
124	L	L	0.0000
125	E	L	-2.2001
126	L	L	-1.3141
127	K	L	-1.8854