Project name: 9.39C11

Chain sequence(s)	H: EVILVESGGGSVKPGGSLKLSCAASGFTFSSYTMSWVRQTPEKRLEWVATISGGGGITYYADSVKGRFTISRDNAKNALYLQMSSLRSEDTALYSCARLLVLYYSMDYWGQGTSVTVSS; L: DIQMNQSPSSLSASLGDTITISCHASQNINVWLSWYQQKPGNIPKLLIYKASNLNTGVPSRFSGSGSGTGFTLTISSLQPEDIATYFCQQGQSYPWTFGGGTKLEIK
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                                          (00:01:36)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:37)

• Minimal score value: -3.1184
• Maximal score value: 2.8357
• Average score: -0.5553
• Total score value: -125.4902

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	-1.4743
2	V	H	0.0058
3	I	H	1.0891
4	L	H	0.0000
5	V	H	0.8081
6	E	H	0.0000
7	S	H	-0.6035
8	G	H	-0.9117
9	G	H	-0.7511
11	G	H	-0.4906
12	S	H	-0.7074
13	V	H	-1.2409
14	K	H	-2.3747
15	P	H	-2.2198
16	G	H	-1.6760
17	G	H	-1.3039
18	S	H	-1.2142
19	L	H	-0.9065
20	K	H	-1.8247
21	L	H	0.0000
22	S	H	-0.4828
23	C	H	0.0000
24	A	H	0.0818
25	A	H	0.0000
26	S	H	-0.2503
27	G	H	-0.6436
28	F	H	-0.1640
29	T	H	-0.2236
30	F	H	0.0000
35	S	H	-0.7618
36	S	H	-0.0233
37	Y	H	0.7455
38	T	H	0.0000
39	M	H	0.0000
40	S	H	0.0000
41	W	H	0.0000
42	V	H	0.0000
43	R	H	0.0000
44	Q	H	0.0000
45	T	H	-1.6949
46	P	H	-1.8025
47	E	H	-2.8463
48	K	H	-2.6378
49	R	H	-2.3756
50	L	H	0.0000
51	E	H	-0.7668
52	W	H	0.0000
53	V	H	0.0000
54	A	H	0.0000
55	T	H	0.0000
56	I	H	0.0000
57	S	H	0.3996
58	G	H	-0.0905
59	G	H	-0.5918
62	G	H	-0.3108
63	G	H	0.0657
64	I	H	1.3210
65	T	H	0.8019
66	Y	H	0.3887
67	Y	H	-0.6555
68	A	H	0.0000
69	D	H	-2.6669
70	S	H	-1.9861
71	V	H	0.0000
72	K	H	-2.5925
74	G	H	-1.6972
75	R	H	-1.6991
76	F	H	0.0000
77	T	H	-0.8218
78	I	H	0.0000
79	S	H	-0.2881
80	R	H	-0.9375
81	D	H	-1.3218
82	N	H	-1.5103
83	A	H	-1.2388
84	K	H	-2.1737
85	N	H	-1.6147
86	A	H	-0.9461
87	L	H	0.0000
88	Y	H	-0.5388
89	L	H	0.0000
90	Q	H	-1.3844
91	M	H	0.0000
92	S	H	-1.1107
93	S	H	-1.2934
94	L	H	0.0000
95	R	H	-3.1184
96	S	H	-2.3559
97	E	H	-2.6162
98	D	H	0.0000
99	T	H	-1.0677
100	A	H	0.0000
101	L	H	0.0155
102	Y	H	0.0000
103	S	H	0.0000
104	C	H	0.0000
105	A	H	0.0000
106	R	H	0.0000
107	L	H	0.0000
108	L	H	1.9060
109	V	H	2.8357
110	L	H	2.7572
112	Y	H	1.8376
113	Y	H	1.0475
114	S	H	0.7652
115	M	H	0.0000
116	D	H	0.2356
117	Y	H	0.7873
118	W	H	0.0000
119	G	H	0.0000
120	Q	H	-0.8864
121	G	H	-0.4213
122	T	H	-0.3510
123	S	H	-0.3839
124	V	H	0.0000
125	T	H	-0.9612
126	V	H	0.0000
127	S	H	-1.5285
128	S	H	-1.0151
1	D	L	-2.3484
2	I	L	-2.0194
3	Q	L	-2.2868
4	M	L	0.0000
5	N	L	-1.8969
6	Q	L	-1.3454
7	S	L	-1.0194
8	P	L	-0.7542
9	S	L	-0.9829
10	S	L	-1.1688
11	L	L	-0.7857
12	S	L	-1.1238
13	A	L	0.0000
14	S	L	-0.4815
15	L	L	0.3949
16	G	L	-0.2902
17	D	L	-0.6785
18	T	L	-0.5074
19	I	L	0.0000
20	T	L	-0.2241
21	I	L	0.0000
22	S	L	-0.7947
23	C	L	0.0000
24	H	L	-2.1298
25	A	L	0.0000
26	S	L	-2.0198
27	Q	L	-2.5730
28	N	L	-2.2948
29	I	L	0.0000
36	N	L	-1.4422
37	V	L	-0.4338
38	W	L	-0.1669
39	L	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	-1.0161
45	K	L	-1.5314
46	P	L	-1.0114
47	G	L	-1.3171
48	N	L	-1.7357
49	I	L	-0.5485
50	P	L	0.0000
51	K	L	-0.8522
52	L	L	0.0000
53	L	L	0.0000
54	I	L	0.0000
55	Y	L	-0.3128
56	K	L	-0.9672
57	A	L	0.0000
65	S	L	-0.8510
66	N	L	-1.1333
67	L	L	-0.2875
68	N	L	-0.3867
69	T	L	-0.3599
70	G	L	-0.4382
71	V	L	-0.2581
72	P	L	-0.3336
74	S	L	-0.4188
75	R	L	-0.6411
76	F	L	0.0000
77	S	L	-0.5054
78	G	L	-0.5947
79	S	L	-0.7494
80	G	L	-0.7830
83	S	L	-1.0025
84	G	L	-1.3683
85	T	L	-1.5077
86	G	L	-1.1685
87	F	L	0.0000
88	T	L	-0.5645
89	L	L	0.0000
90	T	L	-0.2948
91	I	L	0.0000
92	S	L	-0.7304
93	S	L	-0.5454
94	L	L	0.0000
95	Q	L	-0.6771
96	P	L	-0.7936
97	E	L	-1.4325
98	D	L	0.0000
99	I	L	-1.0580
100	A	L	0.0000
101	T	L	-1.2781
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	G	L	0.0000
108	Q	L	-0.5407
109	S	L	-0.2250
114	Y	L	-0.1945
115	P	L	-0.6105
116	W	L	0.0000
117	T	L	-0.7946
118	F	L	0.0000
119	G	L	0.0000
120	G	L	-1.8124
121	G	L	0.0000
122	T	L	0.0000
123	K	L	-2.0716
124	L	L	0.0000
125	E	L	-1.7370
126	I	L	-0.6107
127	K	L	-1.4113