Project name: 2510-3.pdb

Chain sequence(s)	H: EVQLQQSGAELAKPGASVKMSCKASGYTFTNFWIHWVKQRPGQGLEWIGYITPTTDYTDYNQKFKDKATLTADKSSSTAYMQLSSLTSEDSAIYYCARGSSGYAYWGQGTTLTVSS; L: DIQMIQSPSSLSASLGERVSLTCRASQEISGYLSWLQQKPDGTIKRLIYAASTLDSGVPKRFSGSRSGSDYSLTISSLESEDFADYYCLQYASYPYTFGGGTKLEIK
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                                          (00:02:27)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:29)

• Minimal score value: -3.4714
• Maximal score value: 1.0734
• Average score: -0.6075
• Total score value: -135.4655

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	E	H	-2.1538
2	V	H	-1.2710
3	Q	H	-2.1155
4	L	H	0.0000
5	Q	H	-2.1298
6	Q	H	0.0000
7	S	H	-0.8986
8	G	H	-0.6793
9	A	H	0.0395
11	E	H	0.2210
12	L	H	0.9634
13	A	H	-0.3353
14	K	H	-1.7671
15	P	H	-1.4355
16	G	H	-1.1813
17	A	H	-0.9339
18	S	H	-0.9105
19	V	H	-0.5559
20	K	H	-1.0006
21	M	H	0.0000
22	S	H	-0.5379
23	C	H	0.0000
24	K	H	-1.4233
25	A	H	0.0000
26	S	H	-1.3732
27	G	H	-1.2526
28	Y	H	-0.7046
29	T	H	-0.5291
30	F	H	0.0000
35	T	H	-0.9319
36	N	H	-1.0734
37	F	H	-0.1417
38	W	H	0.3290
39	I	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	-0.8733
45	R	H	-1.4671
46	P	H	-1.0590
47	G	H	-1.3439
48	Q	H	-1.9319
49	G	H	-1.3550
50	L	H	0.0000
51	E	H	-1.1085
52	W	H	0.0000
53	I	H	0.0000
54	G	H	0.0000
55	Y	H	0.0000
56	I	H	0.0000
57	T	H	0.0692
58	P	H	0.0000
59	T	H	-0.6444
62	T	H	-0.2517
63	D	H	-0.5225
64	Y	H	0.8207
65	T	H	0.3738
66	D	H	0.0090
67	Y	H	-0.8916
68	N	H	0.0000
69	Q	H	-2.9571
70	K	H	-3.0650
71	F	H	0.0000
72	K	H	-3.4714
74	D	H	-3.1945
75	K	H	-2.1871
76	A	H	0.0000
77	T	H	-0.8837
78	L	H	0.0000
79	T	H	-0.3328
80	A	H	-0.7135
81	D	H	-1.4669
82	K	H	-1.8441
83	S	H	-1.0778
84	S	H	-0.9097
85	S	H	-1.0298
86	T	H	0.0000
87	A	H	0.0000
88	Y	H	-0.0700
89	M	H	0.0000
90	Q	H	-0.8539
91	L	H	0.0000
92	S	H	-0.9763
93	S	H	-0.9932
94	L	H	0.0000
95	T	H	-1.2597
96	S	H	-1.3644
97	E	H	-1.9182
98	D	H	0.0000
99	S	H	-0.6062
100	A	H	0.0000
101	I	H	0.0718
102	Y	H	0.0000
103	Y	H	0.0000
104	C	H	0.0000
105	A	H	0.0000
106	R	H	-0.0332
107	G	H	0.0000
108	S	H	-0.2523
109	S	H	0.0940
114	G	H	0.0000
115	Y	H	0.0000
116	A	H	0.0772
117	Y	H	0.1115
118	W	H	-0.4478
119	G	H	0.0000
120	Q	H	-1.8014
121	G	H	-0.7817
122	T	H	0.0000
123	T	H	-0.0020
124	L	H	0.0000
125	T	H	-0.0333
126	V	H	0.0000
127	S	H	-0.6880
128	S	H	-0.7931
1	D	L	-2.0467
2	I	L	-1.5180
3	Q	L	-1.8697
4	M	L	0.0000
5	I	L	-0.0634
6	Q	L	-0.4761
7	S	L	-0.4396
8	P	L	-0.4356
9	S	L	-0.6615
10	S	L	-1.0421
11	L	L	-0.5883
12	S	L	-0.7822
13	A	L	0.0000
14	S	L	-0.7431
15	L	L	-0.3418
16	G	L	-1.2107
17	E	L	-1.8219
18	R	L	-2.3157
19	V	L	0.0000
20	S	L	-0.6153
21	L	L	0.0000
22	T	L	-0.6549
23	C	L	0.0000
24	R	L	-2.3899
25	A	L	0.0000
26	S	L	-1.9311
27	Q	L	-2.8231
28	E	L	-2.6055
29	I	L	0.0000
36	S	L	-0.6546
37	G	L	0.0391
38	Y	L	1.0734
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	-1.5667
46	P	L	-1.3942
47	D	L	-2.2581
48	G	L	-1.5155
49	T	L	-1.3096
50	I	L	0.0000
51	K	L	-0.7367
52	R	L	0.0000
53	L	L	0.0000
54	I	L	0.0000
55	Y	L	0.5215
56	A	L	0.5206
57	A	L	0.0000
65	S	L	-0.2114
66	T	L	0.0101
67	L	L	-0.2187
68	D	L	-0.3715
69	S	L	-0.4921
70	G	L	-0.8270
71	V	L	0.0000
72	P	L	-1.2449
74	K	L	-1.8914
75	R	L	-1.5258
76	F	L	0.0000
77	S	L	-0.6029
78	G	L	-0.4126
79	S	L	-0.9067
80	R	L	-1.6407
83	S	L	-1.2713
84	G	L	-1.3944
85	S	L	-1.9311
86	D	L	-1.5157
87	Y	L	0.0000
88	S	L	-0.8432
89	L	L	0.0000
90	T	L	-0.6170
91	I	L	0.0000
92	S	L	-1.5594
93	S	L	-1.6516
94	L	L	0.0000
95	E	L	-1.9370
96	S	L	-1.1773
97	E	L	-2.1441
98	D	L	0.0000
99	F	L	-0.8893
100	A	L	0.0000
101	D	L	-1.1218
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	0.8053
108	A	L	0.3049
109	S	L	0.1761
114	Y	L	0.8263
115	P	L	-0.2539
116	Y	L	0.1375
117	T	L	-0.4955
118	F	L	0.0000
119	G	L	0.0000
120	G	L	-0.8660
121	G	L	0.0000
122	T	L	0.0000
123	K	L	-1.7111
124	L	L	0.0000
125	E	L	-1.3152
126	I	L	0.5761
127	K	L	-0.9915