Project name: 1a39e975ab067c5

Chain sequence(s)	H: EVQLVQPGAEVVKPGASVKVSCKASGYTFTSYNMHWVRQAPGRGLEWMGAIYPGNGDTSYNQKFKGRVTMTRDKSTSTVYMELSSLRSEDTAVYYCARSTYYGGDWYFNVWGQGTLVTVSS; L: QIVLSQSPAILSASPGERVTLTCRASSSVSYIHWFQQKPGKAPKPLIYATSNLASGVPSRFSGSGSGTDFSLTISRVEPEDFAVYYCQQWTSNPPTFGGGTKVEIK
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                                          (00:01:17)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:19)

• Minimal score value: -3.2105
• Maximal score value: 1.8611
• Average score: -0.5314
• Total score value: -120.6295

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	-2.0368
2	V	H	-1.0328
3	Q	H	-1.3847
4	L	H	0.0000
5	V	H	0.6859
6	Q	H	0.0000
7	P	H	-0.3726
8	G	H	-0.4554
9	A	H	0.1087
11	E	H	-0.2255
12	V	H	1.0824
13	V	H	-0.4253
14	K	H	-1.8033
15	P	H	-1.7635
16	G	H	-1.3689
17	A	H	-1.0110
18	S	H	-1.0671
19	V	H	0.0000
20	K	H	-2.0221
21	V	H	0.0000
22	S	H	-0.5177
23	C	H	0.0000
24	K	H	-0.9414
25	A	H	0.0000
26	S	H	-0.8307
27	G	H	-1.0573
28	Y	H	-0.3971
29	T	H	-0.0863
30	F	H	0.0000
35	T	H	-0.4416
36	S	H	0.0465
37	Y	H	0.5516
38	N	H	0.1002
39	M	H	0.0000
40	H	H	0.0000
41	W	H	0.0000
42	V	H	0.0000
43	R	H	0.0000
44	Q	H	-0.6638
45	A	H	-1.1184
46	P	H	-1.2313
47	G	H	-1.5711
48	R	H	-2.4006
49	G	H	-1.4715
50	L	H	0.0000
51	E	H	-0.8526
52	W	H	0.0000
53	M	H	0.0000
54	G	H	0.0000
55	A	H	-0.1922
56	I	H	0.0000
57	Y	H	-0.3242
58	P	H	0.0000
59	G	H	-1.0508
62	N	H	-1.6973
63	G	H	-1.4788
64	D	H	-2.0601
65	T	H	-0.9625
66	S	H	-0.7293
67	Y	H	-0.9762
68	N	H	0.0000
69	Q	H	-2.6570
70	K	H	-2.8832
71	F	H	0.0000
72	K	H	-2.9639
74	G	H	-1.8813
75	R	H	-1.5225
76	V	H	0.0000
77	T	H	-0.8186
78	M	H	0.0000
79	T	H	-0.6215
80	R	H	-1.0482
81	D	H	-1.6175
82	K	H	-1.9087
83	S	H	-1.1402
84	T	H	-1.0390
85	S	H	-1.2564
86	T	H	0.0000
87	V	H	0.0000
88	Y	H	-0.6083
89	M	H	0.0000
90	E	H	-1.2869
91	L	H	0.0000
92	S	H	-1.0569
93	S	H	-1.0955
94	L	H	0.0000
95	R	H	-2.6854
96	S	H	-2.1408
97	E	H	-2.4699
98	D	H	0.0000
99	T	H	-0.6854
100	A	H	0.0000
101	V	H	0.1429
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	S	H	0.0000
108	T	H	0.0000
109	Y	H	1.8611
110	Y	H	1.6923
111	G	H	0.2567
112A	G	H	-0.0868
112	D	H	0.3682
113	W	H	0.9481
114	Y	H	0.0000
115	F	H	0.0000
116	N	H	-0.1637
117	V	H	-0.3371
118	W	H	-0.2245
119	G	H	0.0000
120	Q	H	-1.2373
121	G	H	0.0000
122	T	H	0.0000
123	L	H	0.6853
124	V	H	0.0000
125	T	H	-0.0234
126	V	H	0.0000
127	S	H	-0.6907
128	S	H	-0.6564
1	Q	L	-1.0031
2	I	L	0.0894
3	V	L	1.0628
4	L	L	0.0000
5	S	L	-0.7461
6	Q	L	-0.6222
7	S	L	-0.4958
8	P	L	0.1619
9	A	L	0.4010
10	I	L	1.1984
11	L	L	0.7661
12	S	L	0.1898
13	A	L	0.0000
14	S	L	-1.2757
15	P	L	-1.3610
16	G	L	-2.1619
17	E	L	-2.9964
18	R	L	-3.2105
19	V	L	0.0000
20	T	L	-0.6528
21	L	L	0.0000
22	T	L	-0.8273
23	C	L	0.0000
24	R	L	-2.1848
25	A	L	0.0000
26	S	L	-0.3794
27	S	L	-0.5089
28	S	L	-0.7680
29	V	L	0.0000
37	S	L	-0.3302
38	Y	L	-0.0455
39	I	L	0.0000
40	H	L	0.0000
41	W	L	0.0000
42	F	L	0.0000
43	Q	L	-0.5805
44	Q	L	0.0000
45	K	L	-1.5292
46	P	L	-1.1277
47	G	L	-1.5312
48	K	L	-2.2430
49	A	L	-1.3798
50	P	L	0.0000
51	K	L	-0.9445
52	P	L	-0.3628
53	L	L	0.0000
54	I	L	0.0000
55	Y	L	0.1482
56	A	L	-0.0216
57	T	L	0.0000
65	S	L	-0.4976
66	N	L	-0.6653
67	L	L	0.0165
68	A	L	-0.2191
69	S	L	-0.4038
70	G	L	-0.4390
71	V	L	-0.2508
72	P	L	-0.2565
74	S	L	-0.4963
75	R	L	-1.1120
76	F	L	0.0000
77	S	L	-0.4137
78	G	L	-0.3973
79	S	L	-0.6452
80	G	L	-0.9675
83	S	L	-0.9023
84	G	L	-0.9106
85	T	L	-1.3158
86	D	L	-1.7643
87	F	L	0.0000
88	S	L	-0.7362
89	L	L	0.0000
90	T	L	-0.7878
91	I	L	0.0000
92	S	L	-2.1700
93	R	L	-3.0188
94	V	L	0.0000
95	E	L	-1.4392
96	P	L	-0.9975
97	E	L	-2.0288
98	D	L	0.0000
99	F	L	-0.3427
100	A	L	0.0000
101	V	L	-0.0054
102	Y	L	0.0000
103	Y	L	0.0000
104	C	L	0.0000
105	Q	L	0.0000
106	Q	L	0.0000
107	W	L	0.0000
108	T	L	-0.3776
109	S	L	-0.9855
114	N	L	-1.5848
115	P	L	-1.3146
116	P	L	0.0000
117	T	L	-0.1914
118	F	L	0.0000
119	G	L	0.0000
120	G	L	-0.9033
121	G	L	-0.5727
122	T	L	0.0000
123	K	L	-0.3262
124	V	L	0.0000
125	E	L	0.3294
126	I	L	0.9142
127	K	L	-0.8788