Project name: 1FVC VHVL

Chain sequence(s)	H: EVQLVESGGGLVQPGGSLRLSCAASGFNIKDTYIHWVRQAPGKGLEWVARIYPTNGYTRYADSVKGRFTISADTSKNTAYLQMNSLRAEDTAVYYCSRWGGDGFYAMDYWGQGTLVTVSS; L: DIQMTQSPSSLSASVGDRVTITCRASQDVNTAVAWYQQKPGKAPKLLIYSASFLYSGVPSRFSGSRSGTDFTLTISSLQPEDFATYYCQQHYTTPPTFGQGTK
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                                          (00:01:01)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:03)

• Minimal score value: -2.9976
• Maximal score value: 2.2111
• Average score: -0.5828
• Total score value: -129.9553

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	-2.0970
2	V	H	-1.3884
3	Q	H	-1.3790
4	L	H	0.0000
5	V	H	0.2313
6	E	H	0.0000
7	S	H	-0.3681
8	G	H	-0.6839
9	G	H	0.1812
11	G	H	0.8525
12	L	H	1.4383
13	V	H	0.0097
14	Q	H	-1.3522
15	P	H	-1.6104
16	G	H	-1.4232
17	G	H	-0.9984
18	S	H	-1.1442
19	L	H	-0.7030
20	R	H	-1.7358
21	L	H	0.0000
22	S	H	-0.3813
23	C	H	0.0000
24	A	H	-0.2933
25	A	H	0.0000
26	S	H	-1.1157
27	G	H	-1.4405
28	F	H	-1.5327
29	N	H	-2.5024
30	I	H	0.0000
35	K	H	-2.8255
36	D	H	-2.9976
37	T	H	0.0000
38	Y	H	-0.3344
39	I	H	0.0000
40	H	H	0.0000
41	W	H	0.0000
42	V	H	0.0000
43	R	H	0.0000
44	Q	H	-0.6236
45	A	H	-1.0372
46	P	H	-0.8142
47	G	H	-1.4529
48	K	H	-2.3893
49	G	H	-1.6391
50	L	H	0.0000
51	E	H	-0.9846
52	W	H	0.0000
53	V	H	0.0000
54	A	H	0.0000
55	R	H	0.0000
56	I	H	0.0000
57	Y	H	-0.3190
58	P	H	-1.0871
59	T	H	-1.1821
62	N	H	-0.8313
63	G	H	-0.3576
64	Y	H	0.7568
65	T	H	0.0608
66	R	H	-1.0228
67	Y	H	-1.3718
68	A	H	-1.5939
69	D	H	-2.6127
70	S	H	-1.7371
71	V	H	0.0000
72	K	H	-2.7645
74	G	H	-1.7332
75	R	H	-1.4652
76	F	H	0.0000
77	T	H	-0.9474
78	I	H	0.0000
79	S	H	-0.0903
80	A	H	-0.8045
81	D	H	-1.2867
82	T	H	-1.5835
83	S	H	-1.5392
84	K	H	-2.1973
85	N	H	-1.7981
86	T	H	-0.9007
87	A	H	0.0000
88	Y	H	-0.4208
89	L	H	0.0000
90	Q	H	-1.1684
91	M	H	0.0000
92	N	H	-1.2888
93	S	H	-1.2289
94	L	H	0.0000
95	R	H	-2.1944
96	A	H	-1.6548
97	E	H	-2.1954
98	D	H	0.0000
99	T	H	-0.3238
100	A	H	0.0000
101	V	H	0.7400
102	Y	H	0.0000
103	Y	H	0.0000
104	C	H	0.0000
105	S	H	0.0000
106	R	H	-0.2952
107	W	H	0.0000
108	G	H	-0.3647
109	G	H	-0.9878
110	D	H	-1.6256
111	G	H	-0.7289
112	F	H	0.1418
113	Y	H	0.4694
114	A	H	0.0000
115	M	H	0.0000
116	D	H	0.0000
117	Y	H	-0.3388
118	W	H	0.0000
119	G	H	0.0000
120	Q	H	-1.5378
121	G	H	-0.4132
122	T	H	0.4855
123	L	H	1.6987
124	V	H	0.0000
125	T	H	0.3939
126	V	H	0.0000
127	S	H	-0.5434
128	S	H	-0.5878
1	D	L	-2.2761
2	I	L	0.0000
3	Q	L	-2.3200
4	M	L	0.0000
5	T	L	-1.4230
6	Q	L	0.0000
7	S	L	-0.9095
8	P	L	-0.6974
9	S	L	-1.0049
10	S	L	-0.9699
11	L	L	-0.4093
12	S	L	-0.2453
13	A	L	-0.0970
14	S	L	-0.1234
15	V	L	0.5802
16	G	L	-0.6536
17	D	L	-1.6274
18	R	L	-2.3147
19	V	L	0.0000
20	T	L	-0.6546
21	I	L	0.0000
22	T	L	-0.7324
23	C	L	0.0000
24	R	L	-2.7948
25	A	L	0.0000
26	S	L	-2.2427
27	Q	L	-2.9499
28	D	L	-2.6678
29	V	L	0.0000
36	N	L	-1.8304
37	T	L	-0.8893
38	A	L	0.0248
39	V	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	-1.3104
46	P	L	-1.0446
47	G	L	-1.6541
48	K	L	-2.5974
49	A	L	-1.6344
50	P	L	0.0000
51	K	L	-1.2315
52	L	L	0.0000
53	L	L	0.0000
54	I	L	0.0000
55	Y	L	1.2036
56	S	L	0.5124
57	A	L	0.0000
65	S	L	0.7311
66	F	L	2.2111
67	L	L	1.5039
68	Y	L	0.7112
69	S	L	0.0533
70	G	L	-0.3876
71	V	L	-0.1633
72	P	L	-0.2620
74	S	L	-0.3745
75	R	L	-0.7687
76	F	L	0.0000
77	S	L	0.0520
78	G	L	0.1091
79	S	L	-0.5246
80	R	L	-1.5536
83	S	L	-1.2943
84	G	L	-1.7438
85	T	L	-2.1852
86	D	L	-1.9175
87	F	L	0.0000
88	T	L	-0.7291
89	L	L	0.0000
90	T	L	-0.6596
91	I	L	0.0000
92	S	L	-1.4777
93	S	L	-1.1342
94	L	L	0.0000
95	Q	L	-0.4588
96	P	L	-0.4387
97	E	L	-1.3155
98	D	L	0.0000
99	F	L	0.7599
100	A	L	-0.1197
101	T	L	-0.6544
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	Y	L	0.8995
109	T	L	0.2732
114	T	L	-0.2411
115	P	L	-0.6534
116	P	L	0.0000
117	T	L	-0.6086
118	F	L	-0.4778
119	G	L	0.0000
120	Q	L	-1.7762
121	G	L	0.0000
122	T	L	0.0000
123	K	L	-1.4424