Project name: 2.F9G8_A3D

Chain sequence(s)	H: EVQLVESGGDLVKPGGSLKLSCAASGFTFSSYGMSWVRQTPDKRLEWVATISSGGSYIYYSDSVKGRFTISRDNAKNTLYLQMSSLKSEDTAMYYCARDLLLYYTMDNWGQGTSVTVSS; L: DIQMNQSPSSLSASLGDTITITCHASQKINVWLSWYQQKPGNIPKLLIYKASNLHTGVPSRFSGSGSGTGFTLTISSLQPEDIATYYCQQGQSYPWTFGGGTKLEIK
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                                          (00:01:21)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:23)

• Minimal score value: -3.1374
• Maximal score value: 2.5875
• Average score: -0.5279
• Total score value: -119.2959

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	-1.9553
2	V	H	-1.0226
3	Q	H	-0.9192
4	L	H	0.0000
5	V	H	1.2503
6	E	H	0.0000
7	S	H	-0.4737
8	G	H	-1.2648
9	G	H	-1.1694
11	D	H	-1.5508
12	L	H	0.2514
13	V	H	-0.8485
14	K	H	-2.1210
15	P	H	-1.9824
16	G	H	-1.6153
17	G	H	-1.1483
18	S	H	-1.0955
19	L	H	-1.2387
20	K	H	-2.0245
21	L	H	0.0000
22	S	H	-0.2978
23	C	H	0.0000
24	A	H	0.0292
25	A	H	0.0000
26	S	H	-0.6383
27	G	H	-1.1056
28	F	H	-0.4543
29	T	H	-0.2118
30	F	H	0.0000
35	S	H	-0.7698
36	S	H	0.0246
37	Y	H	0.6903
38	G	H	0.0000
39	M	H	0.0000
40	S	H	0.0000
41	W	H	0.0000
42	V	H	0.0000
43	R	H	0.0000
44	Q	H	0.0000
45	T	H	-1.9538
46	P	H	-1.7608
47	D	H	-2.9568
48	K	H	-2.9839
49	R	H	-3.1374
50	L	H	0.0000
51	E	H	-0.9528
52	W	H	0.0000
53	V	H	0.0000
54	A	H	0.0000
55	T	H	0.0000
56	I	H	0.0000
57	S	H	0.0000
58	S	H	0.0660
59	G	H	-0.5289
62	G	H	-0.0206
63	S	H	0.4460
64	Y	H	1.6791
65	I	H	1.8185
66	Y	H	1.0840
67	Y	H	-0.3420
68	S	H	-1.1994
69	D	H	-2.6280
70	S	H	-1.7792
71	V	H	0.0000
72	K	H	-2.5440
74	G	H	-1.7350
75	R	H	-1.5042
76	F	H	0.0000
77	T	H	-0.6902
78	I	H	0.0000
79	S	H	-0.2937
80	R	H	-0.9130
81	D	H	-1.3824
82	N	H	-1.6127
83	A	H	-1.3183
84	K	H	-2.2275
85	N	H	-1.6775
86	T	H	-0.8835
87	L	H	0.0000
88	Y	H	-0.4847
89	L	H	0.0000
90	Q	H	-1.3816
91	M	H	0.0000
92	S	H	-1.1191
93	S	H	-1.2733
94	L	H	0.0000
95	K	H	-2.7643
96	S	H	-2.2065
97	E	H	-2.4911
98	D	H	0.0000
99	T	H	-0.8136
100	A	H	0.0000
101	M	H	-0.1991
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	L	H	1.5838
109	L	H	2.5875
110	L	H	2.3812
112	Y	H	2.2482
113	Y	H	1.3918
114	T	H	0.0000
115	M	H	0.0000
116	D	H	0.0000
117	N	H	-0.3914
118	W	H	0.0000
119	G	H	0.0000
120	Q	H	-0.9423
121	G	H	0.0000
122	T	H	0.0000
123	S	H	-0.5527
124	V	H	0.0000
125	T	H	-0.6704
126	V	H	0.0000
127	S	H	-0.8463
128	S	H	-0.7555
1	D	L	-2.3361
2	I	L	0.0000
3	Q	L	-2.1823
4	M	L	0.0000
5	N	L	-1.5405
6	Q	L	-0.9856
7	S	L	-0.7329
8	P	L	-0.6354
9	S	L	-0.8116
10	S	L	-0.8494
11	L	L	-0.5569
12	S	L	-0.6632
13	A	L	0.0000
14	S	L	-0.5556
15	L	L	0.2044
16	G	L	-0.5035
17	D	L	-0.8997
18	T	L	-0.6301
19	I	L	0.0000
20	T	L	-0.2199
21	I	L	0.0000
22	T	L	-0.6162
23	C	L	0.0000
24	H	L	-1.9609
25	A	L	0.0000
26	S	L	-1.9169
27	Q	L	-2.3871
28	K	L	-2.5098
29	I	L	0.0000
36	N	L	-1.4060
37	V	L	-0.4942
38	W	L	-0.1839
39	L	L	0.0000
40	S	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	-1.3410
46	P	L	-0.9169
47	G	L	-1.3348
48	N	L	-1.7618
49	I	L	-0.7343
50	P	L	0.0000
51	K	L	-0.8769
52	L	L	0.0000
53	L	L	0.0000
54	I	L	0.0000
55	Y	L	-0.3456
56	K	L	-0.8920
57	A	L	0.0000
65	S	L	-0.8552
66	N	L	-1.1473
67	L	L	-0.3414
68	H	L	-0.3160
69	T	L	-0.3284
70	G	L	-0.4292
71	V	L	-0.2434
72	P	L	-0.3242
74	S	L	-0.4210
75	R	L	-0.6367
76	F	L	0.0000
77	S	L	-0.4971
78	G	L	-0.5810
79	S	L	-0.7178
80	G	L	-0.7753
83	S	L	-1.0370
84	G	L	-1.4093
85	T	L	-1.5441
86	G	L	-1.3388
87	F	L	0.0000
88	T	L	-0.5049
89	L	L	0.0000
90	T	L	-0.2607
91	I	L	0.0000
92	S	L	-0.7551
93	S	L	-0.6807
94	L	L	0.0000
95	Q	L	-0.7096
96	P	L	-0.6409
97	E	L	-1.3436
98	D	L	0.0000
99	I	L	-0.2178
100	A	L	0.0000
101	T	L	0.0000
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	G	L	0.1277
108	Q	L	-0.4904
109	S	L	-0.2176
114	Y	L	0.0672
115	P	L	-0.5522
116	W	L	0.0000
117	T	L	-0.7391
118	F	L	0.0000
119	G	L	0.0000
120	G	L	-1.6111
121	G	L	0.0000
122	T	L	0.0000
123	K	L	-1.3235
124	L	L	0.0000
125	E	L	-0.8429
126	I	L	-0.4305
127	K	L	-1.3572