Project name: NIVAbABB

Chain sequence(s)	H: QVQLKESGPGLVAPSQSLSITCTVSGFSLTNYGVTWVRQPPGKGLEWLGVMWGDGSINYHSALISRVSVSKDNSKSQVFLKLNSLQTDDTATYYCAKHYYGSSYGYYAMDYWGQGTSVTVSS; L: DIVMTQSQKFMSTSVGDRVSVTCKASQNVGTNVAWHQQKPGQSPKALIYSASFRYSGVPDRFTGSGSGTDFTLTISNVQSEDLAEYFCQQYISYPFTFGGGTKLEIK
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]                                                (00:00:01)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:01)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with all chain(s) selected           (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:03:44)
[INFO]       Main:     Simulation completed successfully.                                          (00:03:46)

• Minimal score value: -3.0652
• Maximal score value: 1.7629
• Average score: -0.5137
• Total score value: -117.6451

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	-1.4199
2	V	H	-0.9128
3	Q	H	-1.6051
4	L	H	0.0000
5	K	H	-1.8976
6	E	H	0.0000
7	S	H	-0.8263
8	G	H	-0.4423
9	P	H	-0.1461
11	G	H	0.2343
12	L	H	1.1346
13	V	H	0.0000
14	A	H	-0.4907
15	P	H	-1.2095
16	S	H	-1.3727
17	Q	H	-1.7476
18	S	H	-1.4304
19	L	H	0.0000
20	S	H	-0.6341
21	I	H	0.0000
22	T	H	-0.4044
23	C	H	0.0000
24	T	H	-0.9912
25	V	H	0.0000
26	S	H	-0.9888
27	G	H	-0.9274
28	F	H	-0.4772
29	S	H	-0.6690
30	L	H	0.0000
35	T	H	-1.4167
36	N	H	-1.4577
37	Y	H	-0.5138
38	G	H	0.0000
39	V	H	0.0000
40	T	H	0.0000
41	W	H	0.0000
42	V	H	0.0000
43	R	H	0.0000
44	Q	H	-0.9801
45	P	H	-1.3745
46	P	H	-1.3122
47	G	H	-1.4807
48	K	H	-2.2782
49	G	H	-1.4471
50	L	H	0.0000
51	E	H	-0.8190
52	W	H	0.0000
53	L	H	0.0000
54	G	H	0.0000
55	V	H	0.0000
56	M	H	0.2171
57	W	H	-0.4917
58	G	H	-1.3467
59	D	H	-1.9330
63	G	H	-0.8792
64	S	H	-0.1936
65	I	H	0.7822
66	N	H	0.4464
67	Y	H	0.6228
68	H	H	0.2207
69	S	H	0.4594
70	A	H	0.5516
71	L	H	0.0000
72	I	H	1.7629
74	S	H	0.4919
75	R	H	-0.2565
76	V	H	0.0000
77	S	H	-0.3280
78	V	H	0.0000
79	S	H	-0.2920
80	K	H	-1.0278
81	D	H	-1.7080
82	N	H	-2.0521
83	S	H	-1.7540
84	K	H	-2.4111
85	S	H	-1.6572
86	Q	H	-1.3663
87	V	H	0.0000
88	F	H	0.1338
89	L	H	0.0000
90	K	H	-1.0025
91	L	H	0.0000
92	N	H	-1.5081
93	S	H	-1.3354
94	L	H	0.0000
95	Q	H	-2.1854
96	T	H	-1.6195
97	D	H	-2.2498
98	D	H	0.0000
99	T	H	-0.8446
100	A	H	0.0000
101	T	H	-0.4138
102	Y	H	0.0000
103	Y	H	0.0000
104	C	H	0.0000
105	A	H	0.0000
106	K	H	0.0000
107	H	H	0.3309
108	Y	H	0.6416
109	Y	H	0.4271
110	G	H	0.0381
111	S	H	-0.1100
111A	S	H	0.2661
112B	Y	H	1.0837
112A	G	H	0.5002
112	Y	H	0.8824
113	Y	H	0.6787
114	A	H	0.0000
115	M	H	0.0000
116	D	H	-0.0330
117	Y	H	-0.3701
118	W	H	0.0000
119	G	H	0.0000
120	Q	H	-2.0470
121	G	H	-1.2942
122	T	H	-0.7749
123	S	H	-0.3721
124	V	H	0.0000
125	T	H	-0.0943
126	V	H	0.0000
127	S	H	-0.1090
128	S	H	-0.2037
1	D	L	-1.2880
2	I	L	0.1429
3	V	L	1.0301
4	M	L	0.0000
5	T	L	-0.5583
6	Q	L	0.0000
7	S	L	-0.8958
8	Q	L	-0.8113
9	K	L	-1.3159
10	F	L	0.4104
11	M	L	-0.0048
12	S	L	-0.5392
13	T	L	0.0000
14	S	L	-1.1926
15	V	L	-0.3760
16	G	L	-1.6651
17	D	L	-2.9369
18	R	L	-3.0652
19	V	L	-1.4602
20	S	L	-0.4308
21	V	L	0.0000
22	T	L	-0.7545
23	C	L	0.0000
24	K	L	-2.0429
25	A	L	-1.1005
26	S	L	-0.8832
27	Q	L	-1.3402
28	N	L	-1.9508
29	V	L	0.0000
36	G	L	-0.8102
37	T	L	-0.5044
38	N	L	-0.0268
39	V	L	0.0000
40	A	L	0.0000
41	W	L	0.0000
42	H	L	0.0000
43	Q	L	0.0000
44	Q	L	0.0000
45	K	L	-1.5416
46	P	L	-1.1227
47	G	L	-1.4682
48	Q	L	-2.1495
49	S	L	-1.5712
50	P	L	0.0000
51	K	L	-1.4641
52	A	L	-0.6003
53	L	L	0.0000
54	I	L	0.0000
55	Y	L	0.7679
56	S	L	0.4417
57	A	L	0.0000
65	S	L	0.5014
66	F	L	1.5152
67	R	L	-0.2402
68	Y	L	0.1468
69	S	L	-0.2952
70	G	L	-0.7895
71	V	L	-0.9003
72	P	L	-1.2623
74	D	L	-2.3118
75	R	L	-1.8442
76	F	L	0.0000
77	T	L	-0.4723
78	G	L	0.0000
79	S	L	-0.2503
80	G	L	-1.0225
83	S	L	-0.9680
84	G	L	-1.3800
85	T	L	-1.8716
86	D	L	-2.1666
87	F	L	0.0000
88	T	L	-0.6621
89	L	L	0.0000
90	T	L	-0.6101
91	I	L	0.0000
92	S	L	-2.2681
93	N	L	-2.7531
94	V	L	0.0000
95	Q	L	-1.4828
96	S	L	-1.0910
97	E	L	-1.7317
98	D	L	0.0000
99	L	L	-0.7113
100	A	L	0.0000
101	E	L	-1.2049
102	Y	L	0.0000
103	F	L	0.0000
104	C	L	0.0000
105	Q	L	0.0000
106	Q	L	0.0000
107	Y	L	0.0000
108	I	L	0.6553
109	S	L	0.6877
114	Y	L	0.7468
115	P	L	0.3258
116	F	L	0.0000
117	T	L	0.2974
118	F	L	0.0000
119	G	L	0.0000
120	G	L	-1.1980
121	G	L	-1.1439
122	T	L	0.0000
123	K	L	-0.9969
124	L	L	0.0000
125	E	L	-1.2384
126	I	L	-0.9598
127	K	L	-1.5852