Project name: 2510-5.pdb

Chain sequence(s)	H: QVQLQQSGAELARPGASVKMSCKASGYTFTSYTIHWVKQRPGQGLEWIGYINPSSGYTNYNQKFKDKATLTADKSSSTAYMQLSSLTSEDSAVYYCARNPHAMDYWGQGTSVTVSS; L: NIMMTQSPSSLSASLGERVSLTCRASQEISGYLSWLQQKPDGTIKRLIYAASTLDSGVPKRFSGSRSGSDYSLTISSLESEDFADYYCLQYASYPYTFGGGTKLELK
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                                          (00:02:00)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:02)

• Minimal score value: -3.0979
• Maximal score value: 0.9118
• Average score: -0.6017
• Total score value: -134.1681

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	-1.4159
2	V	H	-0.8349
3	Q	H	-1.6627
4	L	H	0.0000
5	Q	H	-2.0759
6	Q	H	0.0000
7	S	H	-1.0660
8	G	H	-0.9939
9	A	H	-0.2615
11	E	H	-0.4105
12	L	H	0.7120
13	A	H	-0.5113
14	R	H	-1.8492
15	P	H	-1.3955
16	G	H	-1.1542
17	A	H	-0.9747
18	S	H	-1.0570
19	V	H	0.0000
20	K	H	-1.4303
21	M	H	0.0000
22	S	H	-0.7136
23	C	H	0.0000
24	K	H	-1.4632
25	A	H	0.0000
26	S	H	-1.1186
27	G	H	-0.9756
28	Y	H	-0.3581
29	T	H	-0.0779
30	F	H	0.0000
35	T	H	-0.6269
36	S	H	-0.1306
37	Y	H	0.1471
38	T	H	0.0599
39	I	H	0.0000
40	H	H	0.0000
41	W	H	0.0000
42	V	H	0.0000
43	K	H	-0.5933
44	Q	H	-0.9927
45	R	H	-1.6252
46	P	H	-1.1105
47	G	H	-1.3754
48	Q	H	-1.9785
49	G	H	-1.3672
50	L	H	0.0000
51	E	H	-1.0149
52	W	H	0.0000
53	I	H	0.0000
54	G	H	0.0000
55	Y	H	0.1871
56	I	H	0.0000
57	N	H	-0.1424
58	P	H	0.0000
59	S	H	-0.6508
62	S	H	-0.3630
63	G	H	-0.3482
64	Y	H	0.7308
65	T	H	0.2682
66	N	H	-0.2091
67	Y	H	-1.0480
68	N	H	0.0000
69	Q	H	-2.7983
70	K	H	-2.9864
71	F	H	0.0000
72	K	H	-3.0979
74	D	H	-3.0138
75	K	H	-2.0826
76	A	H	0.0000
77	T	H	-0.9166
78	L	H	0.0000
79	T	H	-0.3751
80	A	H	-0.8085
81	D	H	-1.5514
82	K	H	-2.1946
83	S	H	-1.2530
84	S	H	-0.9980
85	S	H	-1.1361
86	T	H	0.0000
87	A	H	0.0000
88	Y	H	-0.3221
89	M	H	0.0000
90	Q	H	-1.0463
91	L	H	0.0000
92	S	H	-1.0452
93	S	H	-1.0231
94	L	H	0.0000
95	T	H	-1.2671
96	S	H	-1.3733
97	E	H	-2.0205
98	D	H	0.0000
99	S	H	-0.7087
100	A	H	0.0000
101	V	H	-0.0407
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	N	H	0.0000
108	P	H	-0.3926
109	H	H	-0.5421
114	A	H	0.0000
115	M	H	0.0000
116	D	H	-0.2069
117	Y	H	0.0253
118	W	H	-0.4122
119	G	H	0.0000
120	Q	H	-1.7738
121	G	H	-0.8264
122	T	H	0.0000
123	S	H	-0.2518
124	V	H	0.0000
125	T	H	-0.1567
126	V	H	-0.6845
127	S	H	-0.5807
128	S	H	-0.8153
1	N	L	-1.2304
2	I	L	0.0000
3	M	L	0.0160
4	M	L	0.0000
5	T	L	-0.7705
6	Q	L	-0.8143
7	S	L	-0.8452
8	P	L	-0.5351
9	S	L	-0.7667
10	S	L	-0.8235
11	L	L	-0.3270
12	S	L	-0.5276
13	A	L	0.0000
14	S	L	-0.5091
15	L	L	0.1766
16	G	L	-1.0127
17	E	L	-1.6911
18	R	L	-2.2880
19	V	L	0.0000
20	S	L	-0.6288
21	L	L	0.0000
22	T	L	-0.8896
23	C	L	0.0000
24	R	L	-2.5339
25	A	L	0.0000
26	S	L	-1.5094
27	Q	L	-2.4698
28	E	L	-2.6586
29	I	L	0.0000
36	S	L	-0.6605
37	G	L	-0.0433
38	Y	L	0.9118
39	L	L	0.0000
40	S	L	0.0000
41	W	L	0.0000
42	L	L	0.0000
43	Q	L	0.0000
44	Q	L	0.0000
45	K	L	-1.6422
46	P	L	-1.4341
47	D	L	-2.2667
48	G	L	-1.5562
49	T	L	-1.3692
50	I	L	0.0000
51	K	L	-0.9677
52	R	L	0.0000
53	L	L	0.0000
54	I	L	0.0000
55	Y	L	0.2601
56	A	L	0.3657
57	A	L	0.0000
65	S	L	-0.2426
66	T	L	-0.0107
67	L	L	-0.2209
68	D	L	-0.4378
69	S	L	-0.5101
70	G	L	-0.8282
71	V	L	0.0000
72	P	L	-1.1494
74	K	L	-1.9435
75	R	L	-1.6146
76	F	L	0.0000
77	S	L	-0.6386
78	G	L	-0.4429
79	S	L	-0.9360
80	R	L	-1.7017
83	S	L	-1.3102
84	G	L	-1.4146
85	S	L	-1.9772
86	D	L	-1.7139
87	Y	L	0.0000
88	S	L	-0.8666
89	L	L	0.0000
90	T	L	-0.6447
91	I	L	0.0000
92	S	L	-1.6311
93	S	L	-1.5673
94	L	L	0.0000
95	E	L	-1.6802
96	S	L	-1.0537
97	E	L	-2.0487
98	D	L	0.0000
99	F	L	-0.6736
100	A	L	0.0000
101	D	L	-1.2440
102	Y	L	0.0000
103	Y	L	0.0000
104	C	L	0.0000
105	L	L	0.0000
106	Q	L	0.0000
107	Y	L	0.5559
108	A	L	0.1320
109	S	L	-0.1467
114	Y	L	0.2048
115	P	L	-0.3670
116	Y	L	0.2755
117	T	L	0.0953
118	F	L	0.0980
119	G	L	0.0000
120	G	L	-0.8658
121	G	L	0.0000
122	T	L	0.0000
123	K	L	-1.6066
124	L	L	0.0000
125	E	L	-0.6886
126	L	L	0.5961
127	K	L	-0.9581