Project name: 4F57 VHVL

Chain sequence(s)	H: EVQLVESGGGVVQPGGSLRLSCVASGFSFSDFGMNWVRQAPGKGLEWVAFVPFDRRINYYAESVRGRFTISRDDSKNTVFLQMDSLRPEDTAIYYCAKHRSQWNFWPREGGLDHWGQGTLVTVSS; L: QSALTQPASVSGSPGQSITISCTGTSSDVGGYNYVSWYRQHPGEAPKAIIFDVTNRPSGISNRFSGSKFGNTASLTISGLQAEDEADYYCAAYTVASTLLFGGGTK
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                                          (00:01:19)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:20)

• Minimal score value: -3.0203
• Maximal score value: 1.6994
• Average score: -0.5305
• Total score value: -122.5431

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	-1.9748
2	V	H	-1.1996
3	Q	H	-0.8744
4	L	H	0.0000
5	V	H	1.5172
6	E	H	0.5737
7	S	H	0.1157
8	G	H	-0.5741
9	G	H	0.2486
11	G	H	0.8139
12	V	H	1.6627
13	V	H	0.0907
14	Q	H	-1.2865
15	P	H	-1.5883
16	G	H	-1.4098
17	G	H	-1.1832
18	S	H	-1.1156
19	L	H	-0.5605
20	R	H	-1.1781
21	L	H	0.0000
22	S	H	0.1282
23	C	H	0.0000
24	V	H	0.8928
25	A	H	0.0000
26	S	H	-0.5927
27	G	H	-1.0942
28	F	H	-0.4976
29	S	H	-0.4450
30	F	H	0.0000
35	S	H	-0.6463
36	D	H	-0.1782
37	F	H	0.0449
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	0.0000
45	A	H	-0.9423
46	P	H	-0.7761
47	G	H	-1.4254
48	K	H	-2.2291
49	G	H	-1.4458
50	L	H	0.0000
51	E	H	-0.9253
52	W	H	0.0000
53	V	H	0.0000
54	A	H	0.0000
55	F	H	0.0000
56	V	H	0.0000
57	P	H	0.0000
58	F	H	-0.3669
59	D	H	-1.2981
62	R	H	-2.7083
63	R	H	-2.5203
64	I	H	-0.8383
65	N	H	-0.7697
66	Y	H	-0.2465
67	Y	H	-0.8406
68	A	H	0.0000
69	E	H	-2.4930
70	S	H	-1.8526
71	V	H	0.0000
72	R	H	-2.3021
74	G	H	-1.6756
75	R	H	-1.3560
76	F	H	0.0000
77	T	H	-0.7445
78	I	H	0.0000
79	S	H	-0.7153
80	R	H	0.0000
81	D	H	-1.4064
82	D	H	-1.6033
83	S	H	-1.5092
84	K	H	-2.1372
85	N	H	-1.4209
86	T	H	0.0000
87	V	H	0.0000
88	F	H	0.0141
89	L	H	0.0000
90	Q	H	-0.7763
91	M	H	0.0000
92	D	H	-1.3929
93	S	H	-1.2411
94	L	H	0.0000
95	R	H	-2.3216
96	P	H	-1.9197
97	E	H	-2.3318
98	D	H	0.0000
99	T	H	-0.3779
100	A	H	0.0000
101	I	H	0.7808
102	Y	H	0.0000
103	Y	H	0.0000
104	C	H	0.0000
105	A	H	0.0000
106	K	H	0.0000
107	H	H	0.0000
108	R	H	-0.9522
109	S	H	-0.5304
110	Q	H	-0.4305
111	W	H	0.8377
111A	N	H	0.4082
111B	F	H	0.4612
112C	W	H	0.6716
112B	P	H	0.0000
112A	R	H	-0.5882
112	E	H	-0.9479
113	G	H	0.0000
114	G	H	0.0000
115	L	H	0.0000
116	D	H	-0.9698
117	H	H	-1.1512
118	W	H	-0.7517
119	G	H	0.0000
120	Q	H	-1.1958
121	G	H	-0.1296
122	T	H	0.5001
123	L	H	1.4780
124	V	H	0.0000
125	T	H	0.4047
126	V	H	0.0000
127	S	H	-0.7708
128	S	H	-0.7270
1	Q	L	-1.4087
2	S	L	-0.6786
3	A	L	-0.5148
4	L	L	0.0000
5	T	L	-0.3362
6	Q	L	-0.5777
7	P	L	-0.4966
8	A	L	-0.6244
9	S	L	-0.8928
11	V	L	-0.5280
12	S	L	-0.9254
13	G	L	-0.9898
14	S	L	-0.9665
15	P	L	-1.4019
16	G	L	-1.4363
17	Q	L	-1.7967
18	S	L	-1.0950
19	I	L	-0.2960
20	T	L	-0.0546
21	I	L	0.0000
22	S	L	-0.2121
23	C	L	0.0000
24	T	L	-0.2778
25	G	L	-0.5768
26	T	L	-0.7085
27	S	L	-0.5647
28	S	L	0.0919
29	D	L	0.0000
30	V	L	0.0000
31	G	L	-0.8294
35	G	L	-0.6840
36	Y	L	-0.5537
37	N	L	-1.4459
38	Y	L	-0.7262
39	V	L	0.0000
40	S	L	0.0000
41	W	L	0.0000
42	Y	L	0.0000
43	R	L	-1.1195
44	Q	L	0.0000
45	H	L	-1.9071
46	P	L	-1.2263
47	G	L	-1.3956
48	E	L	-2.0575
49	A	L	-1.5416
50	P	L	0.0000
51	K	L	-1.4575
52	A	L	0.0000
53	I	L	0.0000
54	I	L	0.0000
55	F	L	0.0000
56	D	L	-1.3066
57	V	L	0.0000
65	T	L	-1.2182
66	N	L	-1.7921
67	R	L	-1.5661
68	P	L	-1.0532
69	S	L	-0.7168
70	G	L	-0.5951
71	I	L	-0.4288
72	S	L	-0.8194
74	N	L	-1.5779
75	R	L	-1.0626
76	F	L	0.0000
77	S	L	-0.9032
78	G	L	0.0000
79	S	L	-0.3040
80	K	L	0.0105
83	F	L	1.2843
84	G	L	-0.1507
85	N	L	-0.7791
86	T	L	-0.1500
87	A	L	0.0000
88	S	L	0.0160
89	L	L	0.0000
90	T	L	-0.2000
91	I	L	0.0000
92	S	L	-1.0128
93	G	L	-1.1247
94	L	L	-1.5850
95	Q	L	-1.9775
96	A	L	-1.7707
97	E	L	-2.6240
98	D	L	0.0000
99	E	L	-3.0203
100	A	L	0.0000
101	D	L	-1.5799
102	Y	L	0.0000
103	Y	L	0.0000
104	C	L	0.0000
105	A	L	0.0000
106	A	L	0.0000
107	Y	L	0.0000
108	T	L	0.0000
109	V	L	1.6994
113	A	L	0.6329
114	S	L	0.7683
115	T	L	0.0000
116	L	L	0.0000
117	L	L	-0.2318
118	F	L	0.0000
119	G	L	0.0000
120	G	L	-0.9777
121	G	L	-1.1324
122	T	L	0.0000
123	K	L	-2.2723