Project name: 8SZY VHVL

Chain sequence(s)	H: EVQLQQSGPELVKPGASMKISCKASGYSFTGYTMNWVRQSHGKNLEWLGLIFPYNGGTSYNQNFKGKATLTVDTSSSTAYMELLSLTSVDSAVYYCARGVRFALDYWGQGTSVSVSS; L: DVVMTQTPLSLPVSFGDQVSISCRSSQSLANSYGNTYLSWYLHKPGQSPQLLIYEISNRFSGVPDRFSGSGSGTDFTLNISTIKPEDLGMYYCLQGTHQPWTFGGGTKLEIK
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                                          (00:01:09)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:10)

• Minimal score value: -2.722
• Maximal score value: 1.5076
• Average score: -0.4972
• Total score value: -113.8488

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	-2.1428
2	V	H	-1.4634
3	Q	H	-2.2071
4	L	H	0.0000
5	Q	H	-2.2044
6	Q	H	0.0000
7	S	H	-1.2170
8	G	H	-1.1522
9	P	H	-0.6311
11	E	H	-0.6419
12	L	H	0.6463
13	V	H	-0.3615
14	K	H	-1.6553
15	P	H	-1.3157
16	G	H	-1.0134
17	A	H	-0.7458
18	S	H	-0.8018
19	M	H	0.0000
20	K	H	-1.6528
21	I	H	0.0000
22	S	H	-0.8238
23	C	H	0.0000
24	K	H	-1.6499
25	A	H	0.0000
26	S	H	-1.3926
27	G	H	-1.2657
28	Y	H	-0.6281
29	S	H	-0.3260
30	F	H	0.0000
35	T	H	0.2119
36	G	H	0.3152
37	Y	H	0.5499
38	T	H	0.0000
39	M	H	0.0000
40	N	H	0.0000
41	W	H	0.0000
42	V	H	0.0000
43	R	H	0.0000
44	Q	H	-0.9035
45	S	H	-1.0505
46	H	H	-1.6097
47	G	H	-1.9282
48	K	H	-2.6264
49	N	H	-1.7888
50	L	H	0.0000
51	E	H	-0.8629
52	W	H	0.0000
53	L	H	0.0000
54	G	H	0.0000
55	L	H	0.0000
56	I	H	0.0000
57	F	H	0.9851
58	P	H	0.0000
59	Y	H	0.8997
62	N	H	-0.5379
63	G	H	-0.3762
64	G	H	-0.1134
65	T	H	-0.0309
66	S	H	-0.3137
67	Y	H	-1.0364
68	N	H	0.0000
69	Q	H	-2.7220
70	N	H	-2.4385
71	F	H	0.0000
72	K	H	-2.6619
74	G	H	-1.7230
75	K	H	-1.3630
76	A	H	0.0000
77	T	H	-0.7517
78	L	H	0.0000
79	T	H	0.0022
80	V	H	-0.0157
81	D	H	-0.6564
82	T	H	-0.4060
83	S	H	-0.4384
84	S	H	-0.5412
85	S	H	-0.5994
86	T	H	0.0000
87	A	H	0.0000
88	Y	H	-0.3965
89	M	H	0.0000
90	E	H	-1.1491
91	L	H	0.0000
92	L	H	-0.5079
93	S	H	-0.5635
94	L	H	0.0000
95	T	H	-0.0375
96	S	H	0.2249
97	V	H	1.5076
98	D	H	0.0000
99	S	H	0.3498
100	A	H	0.0000
101	V	H	0.0123
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	G	H	0.0000
108	V	H	0.3029
109	R	H	-1.0177
113	F	H	-0.3413
114	A	H	0.0000
115	L	H	0.0000
116	D	H	0.0000
117	Y	H	0.2844
118	W	H	0.0000
119	G	H	0.0000
120	Q	H	-1.9617
121	G	H	-1.0286
122	T	H	0.0000
123	S	H	-0.3314
124	V	H	0.0000
125	S	H	0.0378
126	V	H	0.0000
127	S	H	-0.6616
128	S	H	-0.7667
1	D	L	-1.9253
2	V	L	0.0000
3	V	L	0.7090
4	M	L	0.0000
5	T	L	-0.3593
6	Q	L	0.0000
7	T	L	-0.0637
8	P	L	0.4094
9	L	L	1.1705
10	S	L	0.0028
11	L	L	-0.1907
12	P	L	-0.7652
13	V	L	0.0000
14	S	L	-0.3947
15	F	L	0.2457
16	G	L	-0.5772
17	D	L	-1.2431
18	Q	L	-1.5484
19	V	L	0.0000
20	S	L	-0.6239
21	I	L	0.0000
22	S	L	-0.8090
23	C	L	0.0000
24	R	L	-2.1842
25	S	L	0.0000
26	S	L	-0.8975
27	Q	L	-1.5273
28	S	L	-1.2050
29	L	L	0.0000
30	A	L	-0.5580
31	N	L	-0.2749
32	S	L	0.0951
34	Y	L	0.7533
35	G	L	-0.2533
36	N	L	-0.6327
37	T	L	0.0000
38	Y	L	0.0000
39	L	L	0.0000
40	S	L	0.0000
41	W	L	0.0000
42	Y	L	0.0000
43	L	L	0.0000
44	H	L	-0.7510
45	K	L	-1.1597
46	P	L	-0.9118
47	G	L	-1.3497
48	Q	L	-1.8089
49	S	L	-1.1701
50	P	L	0.0000
51	Q	L	-0.4754
52	L	L	0.0000
53	L	L	0.0000
54	I	L	0.0000
55	Y	L	-0.2191
56	E	L	-0.7277
57	I	L	-0.5670
65	S	L	-0.9044
66	N	L	-1.3870
67	R	L	-1.9691
68	F	L	-0.6971
69	S	L	-0.6581
70	G	L	-0.8603
71	V	L	-1.0175
72	P	L	-1.2941
74	D	L	-2.2479
75	R	L	-1.6563
76	F	L	0.0000
77	S	L	-1.2057
78	G	L	0.0000
79	S	L	-0.6502
80	G	L	-0.8796
83	S	L	-0.9845
84	G	L	-1.1083
85	T	L	-1.5440
86	D	L	-1.7714
87	F	L	0.0000
88	T	L	-0.7377
89	L	L	0.0000
90	N	L	-0.8274
91	I	L	0.0000
92	S	L	-1.4199
93	T	L	-0.9455
94	I	L	0.0000
95	K	L	-1.1081
96	P	L	-0.9008
97	E	L	-1.6091
98	D	L	0.0000
99	L	L	-0.5035
100	G	L	0.0000
101	M	L	-0.2743
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	G	L	-0.4787
108	T	L	-0.6250
109	H	L	-1.3609
114	Q	L	-1.6525
115	P	L	0.0000
116	W	L	0.0000
117	T	L	-0.3702
118	F	L	0.0000
119	G	L	0.0000
120	G	L	-0.5643
121	G	L	0.0000
122	T	L	0.0000
123	K	L	-0.7683
124	L	L	0.0000
125	E	L	-1.0231
126	I	L	0.2702
127	K	L	-1.1047