Project name: 7ZXK VHVL

Chain sequence(s)	H: EVQLVESGGGLVKPGGSLRLSCAASGFTFRSYGMNWVRQAPGKGLEWVSGISSSGSYIYYADSVKGRFTISRDNAKNSLYLQMNSLRAEDTAVYYCARDGGRTSYTATAHNWFDPWGQGTLVTVSS; L: DIVMTQSPDSLAVSLGERATINCKSSQSVLFSSNNKNYLAWYQQKPGQPPKLLIYWASTRESGVPDRFSGSGSGTDFTLTISSLQAEDVAVYYCQQHASAPPTFGGGTKVEIK
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: -2.7825
• Maximal score value: 1.5239
• Average score: -0.5988
• Total score value: -143.1096

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	-1.6035
2	V	H	-0.3421
3	Q	H	-0.4663
4	L	H	0.0000
5	V	H	1.0697
6	E	H	0.0000
7	S	H	-0.2615
8	G	H	-0.8091
9	G	H	0.0335
11	G	H	0.8035
12	L	H	1.3001
13	V	H	-0.3112
14	K	H	-1.8791
15	P	H	-2.0776
16	G	H	-1.5642
17	G	H	-1.3337
18	S	H	-1.3717
19	L	H	-1.0770
20	R	H	-2.0738
21	L	H	0.0000
22	S	H	-0.4214
23	C	H	0.0000
24	A	H	0.0533
25	A	H	0.0000
26	S	H	-0.3577
27	G	H	-0.7634
28	F	H	-0.4299
29	T	H	-0.5872
30	F	H	0.0000
35	R	H	-2.2046
36	S	H	-1.2782
37	Y	H	-0.8082
38	G	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	-0.6431
45	A	H	-1.0070
46	P	H	-0.8034
47	G	H	-1.4202
48	K	H	-2.2792
49	G	H	-1.4209
50	L	H	0.0000
51	E	H	-0.9041
52	W	H	0.0000
53	V	H	0.0000
54	S	H	0.0000
55	G	H	0.0000
56	I	H	0.0000
57	S	H	0.3652
58	S	H	-0.6431
59	S	H	-0.2618
62	G	H	-0.0994
63	S	H	0.3846
64	Y	H	1.2693
65	I	H	1.5061
66	Y	H	0.8707
67	Y	H	-0.3476
68	A	H	-1.1930
69	D	H	-2.4001
70	S	H	-1.7545
71	V	H	0.0000
72	K	H	-2.4980
74	G	H	-1.6848
75	R	H	-1.5758
76	F	H	0.0000
77	T	H	-0.7358
78	I	H	0.0000
79	S	H	-0.3061
80	R	H	-1.0206
81	D	H	-1.5010
82	N	H	-1.8341
83	A	H	-1.4708
84	K	H	-2.2603
85	N	H	-1.7379
86	S	H	-0.9843
87	L	H	0.0000
88	Y	H	-0.5660
89	L	H	0.0000
90	Q	H	-1.5480
91	M	H	0.0000
92	N	H	-1.3637
93	S	H	-1.2526
94	L	H	0.0000
95	R	H	-2.4455
96	A	H	-1.8084
97	E	H	-2.2511
98	D	H	0.0000
99	T	H	-0.3893
100	A	H	0.0000
101	V	H	0.6461
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	D	H	0.0000
108	G	H	0.0000
109	G	H	0.0000
110	R	H	-1.7891
111	T	H	-0.6810
111A	S	H	-0.0623
111B	Y	H	1.0764
111C	T	H	0.6230
112C	A	H	0.5169
112B	T	H	-0.1404
112A	A	H	-0.0670
112	H	H	-0.6239
113	N	H	-0.6631
114	W	H	0.0000
115	F	H	0.0000
116	D	H	-0.5178
117	P	H	-0.4595
118	W	H	0.0000
119	G	H	0.0000
120	Q	H	-1.1284
121	G	H	-0.1007
122	T	H	0.4983
123	L	H	1.5239
124	V	H	0.0000
125	T	H	0.1977
126	V	H	0.0000
127	S	H	-0.7373
128	S	H	-0.6378
1	D	L	-1.5748
2	I	L	0.0000
3	V	L	0.7489
4	M	L	0.0000
5	T	L	-0.9018
6	Q	L	0.0000
7	S	L	-1.5437
8	P	L	-1.5398
9	D	L	-2.3704
10	S	L	-1.4902
11	L	L	-0.7962
12	A	L	-0.4280
13	V	L	-1.0324
14	S	L	-1.1674
15	L	L	-0.4091
16	G	L	-1.2609
17	E	L	-2.7825
18	R	L	-2.7805
19	A	L	0.0000
20	T	L	-0.7670
21	I	L	0.0000
22	N	L	-1.9638
23	C	L	0.0000
24	K	L	-2.4091
25	S	L	0.0000
26	S	L	-0.9593
27	Q	L	-1.5954
28	S	L	-0.9192
29	V	L	0.0000
30	L	L	0.0877
31	F	L	0.1587
32	S	L	-0.6369
33	S	L	-0.8728
34	N	L	-1.5639
35	N	L	-1.6757
36	K	L	-0.9956
37	N	L	-0.4352
38	Y	L	0.0000
39	L	L	0.0000
40	A	L	0.0000
41	W	L	0.0000
42	Y	L	0.0000
43	Q	L	-0.5496
44	Q	L	0.0000
45	K	L	-1.1770
46	P	L	-0.7613
47	G	L	-1.2412
48	Q	L	-1.6947
49	P	L	-1.2362
50	P	L	0.0000
51	K	L	-1.3144
52	L	L	0.0000
53	L	L	0.0000
54	I	L	0.0000
55	Y	L	-0.1696
56	W	L	-0.0876
57	A	L	0.0000
65	S	L	-0.6596
66	T	L	-0.6789
67	R	L	-1.7232
68	E	L	-1.1985
69	S	L	-0.8819
70	G	L	-1.1520
71	V	L	0.0000
72	P	L	-1.4230
74	D	L	-2.2309
75	R	L	-1.5019
76	F	L	0.0000
77	S	L	-0.9494
78	G	L	-0.6099
79	S	L	-0.7194
80	G	L	-1.1940
83	S	L	-1.0327
84	G	L	-0.9159
85	T	L	-1.5250
86	D	L	-2.2749
87	F	L	0.0000
88	T	L	-1.1476
89	L	L	0.0000
90	T	L	-0.7190
91	I	L	0.0000
92	S	L	-1.7034
93	S	L	-1.7911
94	L	L	0.0000
95	Q	L	-1.3424
96	A	L	-0.8074
97	E	L	-1.8121
98	D	L	0.0000
99	V	L	-0.5046
100	A	L	0.0000
101	V	L	-0.4614
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	H	L	0.0000
108	A	L	-0.1781
109	S	L	-0.5514
114	A	L	-0.3541
115	P	L	-0.7100
116	P	L	-0.2910
117	T	L	-0.1402
118	F	L	0.0000
119	G	L	0.0000
120	G	L	-0.9762
121	G	L	-1.1960
122	T	L	0.0000
123	K	L	-1.5863
124	V	L	0.0000
125	E	L	-0.6991
126	I	L	-0.6086
127	K	L	-1.4477