Project name: 1B2W

Chain sequence(s)	H: QVQLVQSGGGVVQPGRSLKLSCLASGYIFTSSWINWVKQRPGRGLEWIGRIDPSDGEVHYNQDFKDRFTISRDKSKNTLYLQMNSLRPEDTAVYYCARGFLPWFADWGQGTLVTVSS; L: DIQMTQSPSTLSASVGDRVTITCKASENVDTYVSWYQQKPGKAPKLLIYGASNRYTGVPSRFSGSGSGTDFTLTISSLQPDDFATYYCGQSYNYPFTFGQGTKVEVK
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                                          (00:01:23)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:24)

• Minimal score value: -2.9964
• Maximal score value: 2.3384
• Average score: -0.5801
• Total score value: -129.9368

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	-1.4114
2	V	H	-0.6699
3	Q	H	-1.1126
4	L	H	0.0000
5	V	H	0.4148
6	Q	H	0.0000
7	S	H	-0.2375
8	G	H	-0.6487
9	G	H	0.1759
11	G	H	0.8554
12	V	H	1.7558
13	V	H	0.0287
14	Q	H	-1.1438
15	P	H	-1.5688
16	G	H	-1.9628
17	R	H	-2.5192
18	S	H	-1.7358
19	L	H	-0.9643
20	K	H	-1.3560
21	L	H	0.0000
22	S	H	-0.0899
23	C	H	0.0000
24	L	H	0.4826
25	A	H	0.0000
26	S	H	-0.1251
27	G	H	-0.4899
28	Y	H	0.6231
29	I	H	1.9038
30	F	H	0.0000
35	T	H	-0.1132
36	S	H	0.5448
37	S	H	0.9549
38	W	H	0.5036
39	I	H	0.0000
40	N	H	0.0000
41	W	H	0.0000
42	V	H	0.0000
43	K	H	0.0000
44	Q	H	-0.8038
45	R	H	-1.4716
46	P	H	-1.2313
47	G	H	-1.6462
48	R	H	-2.6311
49	G	H	-1.6428
50	L	H	0.0000
51	E	H	-0.8233
52	W	H	0.0000
53	I	H	0.0000
54	G	H	0.0000
55	R	H	-0.3692
56	I	H	0.0000
57	D	H	-1.1321
58	P	H	0.0000
59	S	H	-1.5052
62	D	H	-2.2735
63	G	H	-1.7779
64	E	H	-1.6588
65	V	H	-0.5988
66	H	H	-0.6294
67	Y	H	-0.9796
68	N	H	-1.7649
69	Q	H	-2.6981
70	D	H	-2.5386
71	F	H	0.0000
72	K	H	-2.8647
74	D	H	-2.9964
75	R	H	-1.9990
76	F	H	0.0000
77	T	H	-0.7904
78	I	H	0.0000
79	S	H	-0.4119
80	R	H	-0.9037
81	D	H	-1.5981
82	K	H	-2.0493
83	S	H	-1.7864
84	K	H	-2.3664
85	N	H	-1.4104
86	T	H	-0.7784
87	L	H	0.0000
88	Y	H	-0.0464
89	L	H	0.0000
90	Q	H	-0.7817
91	M	H	0.0000
92	N	H	-1.7024
93	S	H	-1.7067
94	L	H	0.0000
95	R	H	-1.7809
96	P	H	-1.3295
97	E	H	-1.5078
98	D	H	0.0000
99	T	H	-0.2203
100	A	H	0.0000
101	V	H	0.6469
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	G	H	0.0000
108	F	H	2.2671
109	L	H	2.3384
113	P	H	1.2660
114	W	H	1.2545
115	F	H	0.0000
116	A	H	0.0000
117	D	H	-0.4427
118	W	H	-0.7130
119	G	H	0.0000
120	Q	H	-1.5973
121	G	H	-0.4672
122	T	H	0.3950
123	L	H	1.5680
124	V	H	0.0000
125	T	H	0.5736
126	V	H	0.0000
127	S	H	-0.3570
128	S	H	-0.3583
1	D	L	-2.5301
2	I	L	0.0000
3	Q	L	-2.2118
4	M	L	0.0000
5	T	L	-1.3138
6	Q	L	0.0000
7	S	L	-0.5876
8	P	L	-0.4851
9	S	L	-0.8311
10	T	L	-0.8391
11	L	L	-0.3920
12	S	L	-0.5287
13	A	L	0.0000
14	S	L	0.0071
15	V	L	0.7339
16	G	L	-0.4519
17	D	L	-1.2014
18	R	L	-2.1001
19	V	L	0.0000
20	T	L	-0.5457
21	I	L	0.0000
22	T	L	-0.8313
23	C	L	0.0000
24	K	L	-2.5692
25	A	L	0.0000
26	S	L	-2.0726
27	E	L	-2.3943
28	N	L	-2.1641
29	V	L	0.0000
36	D	L	-1.4260
37	T	L	-0.5238
38	Y	L	0.4895
39	V	L	0.0000
40	S	L	0.0000
41	W	L	0.0000
42	Y	L	0.0000
43	Q	L	0.0000
44	Q	L	0.0000
45	K	L	-1.6926
46	P	L	-1.2118
47	G	L	-1.6170
48	K	L	-2.5703
49	A	L	-1.6233
50	P	L	0.0000
51	K	L	-1.4524
52	L	L	0.0000
53	L	L	0.0000
54	I	L	0.0000
55	Y	L	-0.0931
56	G	L	-0.2705
57	A	L	0.0000
65	S	L	-0.8772
66	N	L	-1.3574
67	R	L	-1.5625
68	Y	L	-0.7853
69	T	L	-0.5101
70	G	L	-0.5884
71	V	L	-0.6042
72	P	L	-0.5399
74	S	L	-0.7026
75	R	L	-1.0278
76	F	L	0.0000
77	S	L	-0.7862
78	G	L	0.0000
79	S	L	-0.7956
80	G	L	-1.3589
83	S	L	-1.4858
84	G	L	-1.7577
85	T	L	-2.2553
86	D	L	-2.7700
87	F	L	0.0000
88	T	L	-0.7927
89	L	L	0.0000
90	T	L	-0.5985
91	I	L	0.0000
92	S	L	-1.3408
93	S	L	-1.0866
94	L	L	0.0000
95	Q	L	-0.9313
96	P	L	-0.7542
97	D	L	-1.8790
98	D	L	0.0000
99	F	L	-0.3989
100	A	L	0.0000
101	T	L	-0.9441
102	Y	L	0.0000
103	Y	L	0.0000
104	C	L	0.0000
105	G	L	0.0000
106	Q	L	0.0000
107	S	L	0.0000
108	Y	L	0.0375
109	N	L	-1.0790
114	Y	L	-0.5111
115	P	L	-0.7320
116	F	L	0.0000
117	T	L	-0.7213
118	F	L	-0.3458
119	G	L	0.0000
120	Q	L	-1.6901
121	G	L	0.0000
122	T	L	0.0000
123	K	L	-1.6273
124	V	L	0.0000
125	E	L	-0.6169
126	V	L	0.7096
127	K	L	-0.8307