Project name: 5NHR VHVL

Chain sequence(s)	H: QVQLVQSGAEVKKPGASVKVSCKASGYTFTSSYINWVRQAPGQGLEWMGTINPVSGSTSYAQKFQGRVTMTRDTSISTAYMELSRLRSDDTAVYYCARGGWFDYWGQGTLVTVSS; L: QSALTQPASVSGSPGQSITISCTGTSSDVGSYNYVNWYQQHPGKAPKLMIYGVSKRPSGVSNRFSGSKSGNTASLTISGLQAEDEADYYCGTFAGGSYYGVFGGGTKLTVL
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                                          (00:01:05)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:07)

• Minimal score value: -3.4964
• Maximal score value: 1.3345
• Average score: -0.494
• Total score value: -111.6467

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	Q	H	-1.6440
2	V	H	0.0000
3	Q	H	-1.4792
4	L	H	0.0000
5	V	H	0.3221
6	Q	H	0.0000
7	S	H	-0.4848
8	G	H	-0.4464
9	A	H	0.2516
11	E	H	0.0867
12	V	H	1.0879
13	K	H	-0.8544
14	K	H	-2.3296
15	P	H	-2.6569
16	G	H	-2.3101
17	A	H	-1.7548
18	S	H	-1.7759
19	V	H	0.0000
20	K	H	-1.9621
21	V	H	0.0000
22	S	H	-0.5848
23	C	H	0.0000
24	K	H	-0.5339
25	A	H	0.0000
26	S	H	-0.7809
27	G	H	-1.1856
28	Y	H	-0.5150
29	T	H	-0.1775
30	F	H	0.0000
35	T	H	0.2998
36	S	H	0.0886
37	S	H	0.1288
38	Y	H	0.2346
39	I	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	-0.4815
45	A	H	-0.8894
46	P	H	-0.9563
47	G	H	-1.2345
48	Q	H	-1.7213
49	G	H	-1.1911
50	L	H	0.0000
51	E	H	-0.7609
52	W	H	0.0000
53	M	H	0.0000
54	G	H	0.0000
55	T	H	0.0000
56	I	H	0.0000
57	N	H	-0.0779
58	P	H	0.0000
59	V	H	1.3345
62	S	H	0.3712
63	G	H	-0.1908
64	S	H	-0.2781
65	T	H	-0.3584
66	S	H	-0.3391
67	Y	H	-0.6703
68	A	H	0.0000
69	Q	H	-2.4662
70	K	H	-2.8361
71	F	H	0.0000
72	Q	H	-2.2683
74	G	H	-1.6987
75	R	H	-1.6028
76	V	H	0.0000
77	T	H	-0.7170
78	M	H	0.0000
79	T	H	-0.4997
80	R	H	-0.4777
81	D	H	-0.3251
82	T	H	0.2674
83	S	H	0.3665
84	I	H	1.2022
85	S	H	0.1585
86	T	H	0.0000
87	A	H	0.0000
88	Y	H	-0.6762
89	M	H	0.0000
90	E	H	-1.2225
91	L	H	0.0000
92	S	H	-1.8296
93	R	H	-2.8397
94	L	H	0.0000
95	R	H	-3.4964
96	S	H	-2.4112
97	D	H	-2.5317
98	D	H	0.0000
99	T	H	-0.7259
100	A	H	0.0000
101	V	H	0.4904
102	Y	H	0.0000
103	Y	H	0.0000
104	C	H	0.0000
105	A	H	0.0000
106	R	H	-0.2212
107	G	H	0.0110
108	G	H	0.0000
114	W	H	0.4723
115	F	H	0.0000
116	D	H	-0.2662
117	Y	H	-0.1399
118	W	H	-0.4288
119	G	H	0.0000
120	Q	H	-1.2803
121	G	H	-0.4949
122	T	H	0.0000
123	L	H	0.8294
124	V	H	0.0000
125	T	H	-0.0923
126	V	H	0.0000
127	S	H	-1.2350
128	S	H	-1.2612
1	Q	L	-1.5356
2	S	L	-0.7763
3	A	L	-0.4626
4	L	L	0.0000
5	T	L	-0.3297
6	Q	L	-0.5023
7	P	L	-0.3933
8	A	L	-0.4609
9	S	L	-0.5693
11	V	L	-0.1627
12	S	L	-0.0422
13	G	L	0.0000
14	S	L	-0.1417
15	P	L	-0.7829
16	G	L	-1.4641
17	Q	L	-1.6418
18	S	L	-1.1691
19	I	L	0.0000
20	T	L	-0.1458
21	I	L	0.0000
22	S	L	-0.2764
23	C	L	0.0000
24	T	L	-0.5485
25	G	L	-0.6047
26	T	L	-0.7129
27	S	L	-0.7536
28	S	L	-0.5433
29	D	L	-0.3909
30	V	L	0.0000
31	G	L	-1.0643
35	S	L	-0.5812
36	Y	L	-0.0852
37	N	L	-0.8588
38	Y	L	0.2442
39	V	L	0.0000
40	N	L	0.0000
41	W	L	0.0000
42	Y	L	0.0000
43	Q	L	0.0000
44	Q	L	0.0000
45	H	L	-1.6899
46	P	L	-1.3290
47	G	L	-1.5802
48	K	L	-2.4376
49	A	L	-1.4402
50	P	L	0.0000
51	K	L	-1.0292
52	L	L	0.0000
53	M	L	0.0000
54	I	L	0.0000
55	Y	L	-0.4748
56	G	L	0.0000
57	V	L	0.0000
65	S	L	-1.3310
66	K	L	-2.0314
67	R	L	-1.9308
68	P	L	-1.0228
69	S	L	-0.9089
70	G	L	-0.7667
71	V	L	-0.7498
72	S	L	-0.9716
74	N	L	-1.6603
75	R	L	-1.0587
76	F	L	0.0000
77	S	L	-1.0089
78	G	L	0.0000
79	S	L	-0.8312
80	K	L	-1.0618
83	S	L	-0.8678
84	G	L	-1.1295
85	N	L	-1.2633
86	T	L	-0.8341
87	A	L	0.0000
88	S	L	-0.3503
89	L	L	0.0000
90	T	L	-0.2773
91	I	L	0.0000
92	S	L	-1.1165
93	G	L	-1.3246
94	L	L	0.0000
95	Q	L	-1.5921
96	A	L	-1.1013
97	E	L	-2.1322
98	D	L	0.0000
99	E	L	-1.4170
100	A	L	0.0000
101	D	L	-1.1263
102	Y	L	0.0000
103	Y	L	0.0000
104	C	L	0.0000
105	G	L	0.0000
106	T	L	0.5972
107	F	L	0.7589
108	A	L	0.0000
109	G	L	0.0000
110	G	L	-0.2672
113	S	L	0.1386
114	Y	L	1.0268
115	Y	L	1.0408
116	G	L	0.0000
117	V	L	0.2107
118	F	L	0.0000
119	G	L	0.0000
120	G	L	-0.7945
121	G	L	-0.9133
122	T	L	0.0000
123	K	L	-1.2647
124	L	L	0.0000
125	T	L	-0.2797
126	V	L	0.1170
127	L	L	1.2523