Project name: 27.A8F8

Chain sequence(s)	H: QVQLQQPGAEFVRPGASVKLSCKASGYTFTNYWIHWVKQRPGRGLEWIGRIIPYSGDTNYNERFKSRATLTSAKSSSTAYMQLSSLTSEDSAVYFCARPDYWGQGTTLTVSS; L: DIQMTQSPSSLSASLGERVSLTCRASHEISKYLSWLQQKPDGTIKRLINAAVILDSGVPKRFSGSRSGSDYSLTISSLESEDFADYYCLQYASYPWTFGGGTKLEIK
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                                          (00:01:25)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:26)

• Minimal score value: -3.3983
• Maximal score value: 2.3946
• Average score: -0.5886
• Total score value: -128.8996

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	-1.4301
2	V	H	-0.9003
3	Q	H	-1.5085
4	L	H	0.0000
5	Q	H	-1.9069
6	Q	H	-1.3854
7	P	H	-1.0970
8	G	H	-1.0521
9	A	H	-0.1841
11	E	H	-0.2629
12	F	H	1.1386
13	V	H	-0.1761
14	R	H	-1.7077
15	P	H	-1.4289
16	G	H	-1.1524
17	A	H	-0.9087
18	S	H	-1.1121
19	V	H	0.0000
20	K	H	-1.9468
21	L	H	0.0000
22	S	H	-0.8143
23	C	H	0.0000
24	K	H	-1.4528
25	A	H	0.0000
26	S	H	-1.0472
27	G	H	-0.8873
28	Y	H	-0.4390
29	T	H	-0.2235
30	F	H	0.0000
35	T	H	-0.0439
36	N	H	-0.5401
37	Y	H	0.4159
38	W	H	0.4224
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	-0.9959
45	R	H	-1.6858
46	P	H	-1.2717
47	G	H	-1.6542
48	R	H	-2.5525
49	G	H	-1.5859
50	L	H	0.0000
51	E	H	-0.7475
52	W	H	0.0000
53	I	H	0.0000
54	G	H	0.0000
55	R	H	-0.3535
56	I	H	0.0000
57	I	H	0.0997
58	P	H	0.0000
59	Y	H	0.6434
62	S	H	-0.2828
63	G	H	-0.7783
64	D	H	-1.6216
65	T	H	-1.0322
66	N	H	-1.0977
67	Y	H	-1.1776
68	N	H	0.0000
69	E	H	-3.3983
70	R	H	-3.2330
71	F	H	0.0000
72	K	H	-3.0327
74	S	H	-1.8576
75	R	H	-1.4817
76	A	H	0.0000
77	T	H	-0.8491
78	L	H	0.0000
79	T	H	-0.5670
80	S	H	-0.4384
81	A	H	-0.7234
82	K	H	-1.1022
83	S	H	-0.8183
84	S	H	-0.7418
85	S	H	-0.8172
86	T	H	0.0000
87	A	H	0.0000
88	Y	H	-0.3224
89	M	H	0.0000
90	Q	H	-1.1996
91	L	H	0.0000
92	S	H	-0.8710
93	S	H	-0.8605
94	L	H	0.0000
95	T	H	-1.2831
96	S	H	-1.4703
97	E	H	-2.0286
98	D	H	0.0000
99	S	H	-0.6645
100	A	H	0.0000
101	V	H	-0.1220
102	Y	H	0.0000
103	F	H	0.0000
104	C	H	0.0000
105	A	H	0.0000
106	R	H	0.0000
107	P	H	-0.0292
116	D	H	-0.3386
117	Y	H	0.0880
118	W	H	-0.3518
119	G	H	0.0000
120	Q	H	-1.7415
121	G	H	0.0000
122	T	H	0.0000
123	T	H	-0.1818
124	L	H	0.0000
125	T	H	-0.0349
126	V	H	0.0000
127	S	H	-0.5615
128	S	H	-0.7577
1	D	L	-2.3083
2	I	L	0.0000
3	Q	L	-2.2189
4	M	L	0.0000
5	T	L	-1.3345
6	Q	L	-1.0591
7	S	L	-0.8481
8	P	L	-0.5875
9	S	L	-0.8635
10	S	L	-0.9014
11	L	L	-0.2749
12	S	L	-0.3869
13	A	L	0.0000
14	S	L	-0.4359
15	L	L	0.0527
16	G	L	-1.0972
17	E	L	-1.7135
18	R	L	-2.2820
19	V	L	0.0000
20	S	L	-0.7098
21	L	L	0.0000
22	T	L	-0.8046
23	C	L	0.0000
24	R	L	-2.7992
25	A	L	0.0000
26	S	L	-2.1362
27	H	L	-2.5441
28	E	L	-2.3451
29	I	L	0.0000
36	S	L	-0.8322
37	K	L	-0.6221
38	Y	L	0.7181
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	-1.6208
46	P	L	-1.4331
47	D	L	-2.2686
48	G	L	-1.5559
49	T	L	-1.3228
50	I	L	0.0000
51	K	L	-0.9859
52	R	L	-0.7625
53	L	L	0.0000
54	I	L	0.0000
55	N	L	0.7344
56	A	L	0.8611
57	A	L	0.0000
65	V	L	1.5662
66	I	L	2.3946
67	L	L	0.9094
68	D	L	-0.1102
69	S	L	-0.3181
70	G	L	-0.8347
71	V	L	0.0000
72	P	L	-1.1198
74	K	L	-1.9308
75	R	L	-1.5632
76	F	L	0.0000
77	S	L	-0.0291
78	G	L	0.4727
79	S	L	-0.2206
80	R	L	-1.2891
83	S	L	-1.1272
84	G	L	-1.3050
85	S	L	-1.9130
86	D	L	-1.6915
87	Y	L	0.0000
88	S	L	-0.6187
89	L	L	0.0000
90	T	L	-0.6819
91	I	L	0.0000
92	S	L	-1.6110
93	S	L	-1.3987
94	L	L	0.0000
95	E	L	-1.7124
96	S	L	-1.0771
97	E	L	-1.9694
98	D	L	0.0000
99	F	L	-0.5671
100	A	L	0.0000
101	D	L	-1.3296
102	Y	L	0.0000
103	Y	L	0.0000
104	C	L	0.0000
105	L	L	0.2710
106	Q	L	0.0000
107	Y	L	0.7900
108	A	L	0.1765
109	S	L	0.0429
114	Y	L	0.1052
115	P	L	-0.7066
116	W	L	0.0607
117	T	L	-0.3769
118	F	L	-0.1509
119	G	L	0.0000
120	G	L	-1.0794
121	G	L	-1.1799
122	T	L	0.0000
123	K	L	-1.7395
124	L	L	0.0000
125	E	L	-0.2462
126	I	L	1.1421
127	K	L	-0.7280