Project name: 90dc0feac0c8415

Chain sequence(s)	H: IVLTQSPGTLSLSPGERATLSCRASQSVSSSYLAWYQQKPGQAPRLLIYGASSRATGIPDRFSGSGSGTDFTLTISRLEPEDFAVYYCQQYGSSPRWTFGQGTKLEI; G: VQLVQSGAEVKKPGASVKVSCKASGYTFTSYGISWVRQAPGQGLEWMGWISAYTGNTNYAQKLQGRVTMTTDTSTSTAYMELRSLRSDDTAVYYCARGLLQGVVILDSYYYTMDVWGQGTTVTVS
Selected Chain(s)	G,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                                          (00:02:46)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:48)

• Minimal score value: -3.3531
• Maximal score value: 2.9153
• Average score: -0.5451
• Total score value: -126.4639

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	G	1.0489
3	Q	G	-0.3746
4	L	G	0.0000
5	V	G	0.2630
6	Q	G	0.0000
7	S	G	-0.7041
8	G	G	-0.7622
9	A	G	-0.7559
11	E	G	-1.1898
12	V	G	0.1971
13	K	G	-1.3579
14	K	G	-2.2031
15	P	G	-2.2867
16	G	G	-1.8399
17	A	G	-1.5329
18	S	G	-1.9711
19	V	G	-1.7331
20	K	G	-2.2904
21	V	G	0.0000
22	S	G	0.0000
23	C	G	0.0000
24	K	G	-0.8364
25	A	G	-0.3172
26	S	G	-0.1742
27	G	G	0.0468
28	Y	G	0.2537
29	T	G	0.1143
30	F	G	0.0000
35	T	G	0.4046
36	S	G	0.4550
37	Y	G	0.4071
38	G	G	0.0000
39	I	G	0.0000
40	S	G	0.0000
41	W	G	0.0000
42	V	G	0.0000
43	R	G	-0.6233
44	Q	G	-0.8182
45	A	G	-1.0739
46	P	G	-0.8093
47	G	G	-1.2140
48	Q	G	-1.9405
49	G	G	-1.5344
50	L	G	0.0000
51	E	G	-1.5449
52	W	G	0.0000
53	M	G	0.0000
54	G	G	0.0000
55	W	G	0.0000
56	I	G	0.0000
57	S	G	0.0000
58	A	G	0.0000
59	Y	G	0.8303
62	T	G	-0.1656
63	G	G	-0.8366
64	N	G	-1.3904
65	T	G	-0.9626
66	N	G	-0.9582
67	Y	G	-0.9759
68	A	G	-1.6087
69	Q	G	-2.3704
70	K	G	-2.5816
71	L	G	-1.7084
72	Q	G	-2.2960
74	G	G	-1.8066
75	R	G	-2.0323
76	V	G	0.0000
77	T	G	-1.2528
78	M	G	0.0000
79	T	G	-0.5732
80	T	G	-0.2383
81	D	G	-0.8448
82	T	G	-0.3251
83	S	G	-0.4758
84	T	G	-0.5469
85	S	G	-0.6544
86	T	G	0.0000
87	A	G	0.0000
88	Y	G	-0.6592
89	M	G	0.0000
90	E	G	-2.4373
91	L	G	0.0000
92	R	G	-3.0224
93	S	G	-2.0237
94	L	G	0.0000
95	R	G	-3.3531
96	S	G	-2.5593
97	D	G	-2.6316
98	D	G	-1.8762
99	T	G	-1.0002
100	A	G	0.0000
101	V	G	-0.0781
102	Y	G	0.0000
103	Y	G	0.0000
104	C	G	0.0000
105	A	G	0.0000
106	R	G	0.0904
107	G	G	0.0000
108	L	G	0.3431
109	L	G	0.9546
110	Q	G	0.8079
111	G	G	0.9182
111A	V	G	2.6157
111B	V	G	2.9153
111C	I	G	2.1315
112D	L	G	1.8741
112C	D	G	0.0691
112B	S	G	0.1501
112A	Y	G	0.4035
112	Y	G	0.7083
113	Y	G	0.4926
114	T	G	0.0000
115	M	G	0.0000
116	D	G	-0.1738
117	V	G	-0.0838
118	W	G	-0.3660
119	G	G	0.0000
120	Q	G	-1.2692
121	G	G	0.0000
122	T	G	0.0000
123	T	G	-0.3045
124	V	G	0.0000
125	T	G	-0.4565
126	V	G	0.0000
127	S	G	-1.1683
2	I	H	2.5318
3	V	H	2.1410
4	L	H	0.0000
5	T	H	-0.5997
6	Q	H	0.0000
7	S	H	-0.8977
8	P	H	-0.6049
9	G	H	-0.3171
10	T	H	0.0000
11	L	H	0.1561
12	S	H	-0.1946
13	L	H	-0.2998
14	S	H	-0.7161
15	P	H	-1.5052
16	G	H	-2.3361
17	E	H	-2.9442
18	R	H	-2.7714
19	A	H	0.0000
20	T	H	-0.8185
21	L	H	0.0000
22	S	H	-1.0582
23	C	H	0.0000
24	R	H	-2.4305
25	A	H	0.0000
26	S	H	-0.2403
27	Q	H	-1.0239
28	S	H	-1.2729
29	V	H	-0.4938
30	S	H	-0.2255
36	S	H	-0.2051
37	S	H	0.1156
38	Y	H	0.4151
39	L	H	0.0000
40	A	H	0.0000
41	W	H	0.0000
42	Y	H	0.0000
43	Q	H	0.0000
44	Q	H	0.0000
45	K	H	-1.7648
46	P	H	-1.2395
47	G	H	-1.4045
48	Q	H	-2.0884
49	A	H	-1.5328
50	P	H	0.0000
51	R	H	-2.0078
52	L	H	0.0000
53	L	H	0.0000
54	I	H	0.0000
55	Y	H	0.0102
56	G	H	0.0000
57	A	H	0.0000
65	S	H	-0.5009
66	S	H	-0.4351
67	R	H	-0.7112
68	A	H	-0.3280
69	T	H	-0.4318
70	G	H	-0.6044
71	I	H	-0.5142
72	P	H	-1.1063
74	D	H	-2.2895
75	R	H	-1.9022
76	F	H	0.0000
77	S	H	-0.8549
78	G	H	-0.4311
79	S	H	-0.6769
80	G	H	-1.1628
83	S	H	-1.1742
84	G	H	-1.3076
85	T	H	-1.9525
86	D	H	-2.7325
87	F	H	0.0000
88	T	H	-0.8639
89	L	H	0.0000
90	T	H	-0.7835
91	I	H	0.0000
92	S	H	-2.1693
93	R	H	-3.3434
94	L	H	0.0000
95	E	H	-2.1898
96	P	H	-1.2860
97	E	H	-2.2641
98	D	H	0.0000
99	F	H	-1.0327
100	A	H	0.0000
101	V	H	0.0000
102	Y	H	0.0000
103	Y	H	0.0000
104	C	H	0.0000
105	Q	H	0.0000
106	Q	H	0.0000
107	Y	H	0.0000
108	G	H	-0.0833
109	S	H	-0.4489
113	S	H	-0.6533
114	P	H	-0.8010
115	R	H	-1.1298
116	W	H	0.0000
117	T	H	0.2547
118	F	H	0.0000
119	G	H	-0.7111
120	Q	H	-1.5224
121	G	H	-1.2683
122	T	H	0.0000
123	K	H	-1.7732
124	L	H	0.0000
125	E	H	-1.0482
126	I	H	0.8538