Project name: 5WK2 VHVL

Chain sequence(s)	H: EVQLVQSGAEVKKPGESLKISCKGSGYSFTSYWIGWVRQMPGKGLEWMGIIDPSDSDTRYSPSFQGQVTISADKSISTAYLQWSSLKASDTAMYYCARVGPADVWDSFDYWGQGTLVTVSS; L: DIVMTQSPDSLAVSLGERATINCKSSQSVLLSPWNSNQLAWYQQKPGQPPKLLIYGASTRESGVPDRFSGSGSGTDFTLTISSLQAEDVAVYYCQQYYLIPSTFGQGTKVEIK
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                                          (00:01:08)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:10)

• Minimal score value: -2.6437
• Maximal score value: 1.1383
• Average score: -0.5355
• Total score value: -125.2983

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	-2.0972
2	V	H	-1.1791
3	Q	H	-1.2462
4	L	H	0.0000
5	V	H	0.5335
6	Q	H	0.0000
7	S	H	-0.3443
8	G	H	-0.4502
9	A	H	0.1841
11	E	H	0.2294
12	V	H	1.1383
13	K	H	-0.8790
14	K	H	-2.0790
15	P	H	-1.8991
16	G	H	-1.9000
17	E	H	-2.3583
18	S	H	-1.7043
19	L	H	0.0000
20	K	H	-1.3602
21	I	H	0.0000
22	S	H	-0.3013
23	C	H	0.0000
24	K	H	-0.2724
25	G	H	0.0000
26	S	H	-0.6449
27	G	H	-1.2105
28	Y	H	-0.5664
29	S	H	-0.2472
30	F	H	0.0000
35	T	H	-0.7583
36	S	H	-0.2044
37	Y	H	0.1120
38	W	H	0.0538
39	I	H	0.0000
40	G	H	0.0000
41	W	H	0.0000
42	V	H	0.0000
43	R	H	-0.4856
44	Q	H	-0.7338
45	M	H	-0.6686
46	P	H	-0.8437
47	G	H	-1.3578
48	K	H	-2.1970
49	G	H	-1.3681
50	L	H	0.0000
51	E	H	-0.7669
52	W	H	0.0000
53	M	H	0.0000
54	G	H	0.0000
55	I	H	0.0000
56	I	H	0.0000
57	D	H	-1.0894
58	P	H	0.0000
59	S	H	-1.4813
62	D	H	-2.2542
63	S	H	-1.6490
64	D	H	-1.4367
65	T	H	-0.9130
66	R	H	-0.9938
67	Y	H	-0.6335
68	S	H	0.0000
69	P	H	-1.0488
70	S	H	-0.8192
71	F	H	-1.0451
72	Q	H	-1.8481
74	G	H	-1.6020
75	Q	H	-1.8553
76	V	H	0.0000
77	T	H	-0.8000
78	I	H	0.0000
79	S	H	-0.5238
80	A	H	-0.7660
81	D	H	-0.7633
82	K	H	-1.0206
83	S	H	0.0459
84	I	H	1.1029
85	S	H	-0.0300
86	T	H	0.0000
87	A	H	0.0000
88	Y	H	-0.3807
89	L	H	0.0000
90	Q	H	-1.1199
91	W	H	0.0000
92	S	H	-1.2025
93	S	H	-1.5498
94	L	H	0.0000
95	K	H	-1.5037
96	A	H	-0.8583
97	S	H	-0.4297
98	D	H	0.0000
99	T	H	0.0118
100	A	H	0.0000
101	M	H	0.1353
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	V	H	0.0000
108	G	H	-0.1151
109	P	H	-0.5451
110	A	H	-0.5679
111	D	H	-1.2095
112A	V	H	0.4429
112	W	H	0.3663
113	D	H	0.0000
114	S	H	0.0000
115	F	H	0.0000
116	D	H	-0.0160
117	Y	H	0.1508
118	W	H	-0.1411
119	G	H	0.0000
120	Q	H	-1.0641
121	G	H	-0.5020
122	T	H	0.0000
123	L	H	0.5247
124	V	H	0.0000
125	T	H	0.2336
126	V	H	0.0000
127	S	H	-0.7619
128	S	H	-0.9772
1	D	L	-1.4190
2	I	L	0.0000
3	V	L	0.7115
4	M	L	0.0000
5	T	L	-0.7493
6	Q	L	0.0000
7	S	L	-1.3812
8	P	L	-1.3894
9	D	L	-2.2995
10	S	L	-1.4766
11	L	L	-0.7814
12	A	L	-0.4982
13	V	L	0.0000
14	S	L	-0.8559
15	L	L	0.0452
16	G	L	-1.1598
17	E	L	-2.3573
18	R	L	-2.6437
19	A	L	0.0000
20	T	L	-0.6492
21	I	L	0.0000
22	N	L	-1.5988
23	C	L	0.0000
24	K	L	-2.3463
25	S	L	0.0000
26	S	L	-0.9687
27	Q	L	-1.5548
28	S	L	-0.9728
29	V	L	0.0000
30	L	L	0.0605
31	L	L	0.2846
32	S	L	-0.3590
33	P	L	-0.1374
34	W	L	0.2551
35	N	L	-0.8340
36	S	L	-0.2536
37	N	L	-0.1399
38	Q	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	0.0000
44	Q	L	0.0000
45	K	L	-1.3290
46	P	L	-1.0006
47	G	L	-1.4158
48	Q	L	-2.0368
49	P	L	-1.2793
50	P	L	0.0000
51	K	L	-1.0619
52	L	L	0.0000
53	L	L	0.0000
54	I	L	0.0000
55	Y	L	0.1689
56	G	L	-0.2048
57	A	L	0.0000
65	S	L	-0.5072
66	T	L	-0.4197
67	R	L	-1.1693
68	E	L	-0.8448
69	S	L	-0.7378
70	G	L	-0.9828
71	V	L	0.0000
72	P	L	-1.3364
74	D	L	-2.1740
75	R	L	-1.5882
76	F	L	0.0000
77	S	L	-0.8200
78	G	L	-0.4760
79	S	L	-0.7704
80	G	L	-1.3303
83	S	L	-1.0330
84	G	L	-0.9287
85	T	L	-1.6378
86	D	L	-2.3602
87	F	L	0.0000
88	T	L	-1.0375
89	L	L	0.0000
90	T	L	-0.6370
91	I	L	0.0000
92	S	L	-1.6800
93	S	L	-1.7423
94	L	L	0.0000
95	Q	L	-1.2447
96	A	L	-0.5198
97	E	L	-1.2888
98	D	L	0.0000
99	V	L	-0.4074
100	A	L	0.0000
101	V	L	-0.5551
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	Y	L	0.0000
108	Y	L	0.8468
109	L	L	0.7436
114	I	L	0.3792
115	P	L	-0.1971
116	S	L	0.0000
117	T	L	0.1102
118	F	L	0.0000
119	G	L	0.0000
120	Q	L	-1.3211
121	G	L	0.0000
122	T	L	0.0000
123	K	L	-1.4099
124	V	L	0.0000
125	E	L	-0.9035
126	I	L	-0.0327
127	K	L	-1.2803