Project name: capmab

Chain sequence(s)	A: EVQLVESGGGLVQPGGSLRLSCAASGRTFSYNPMGWFRQAPGKGRELVAAISRTGGSTYYPDSVEGRFTISRDNAKRMVYLQMNSLRAEDTAVYYCAAAGVRAEDGRVRTLPSEYTFWGQGTQVTVSS
Selected Chain(s)	A
Distance of aggregation	10 Å
FoldX usage	Yes
Dynamic mode	No
Automated mutations	No

Simulation log

[INFO]       Logger:   Verbosity set to: 2 - [INFO]                                                (00:00:01)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:01)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:01:44)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:45)

• Minimal score value: -3.6747
• Maximal score value: 1.1541
• Average score: -0.8302
• Total score value: -106.2595

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	A	-2.5458
2	V	A	0.0000
3	Q	A	-1.5678
4	L	A	0.0000
5	V	A	1.1211
6	E	A	0.1571
7	S	A	-0.5225
8	G	A	-1.1997
9	G	A	-0.8411
10	G	A	-0.1038
11	L	A	0.9361
12	V	A	0.0000
13	Q	A	-1.3594
14	P	A	-1.5597
15	G	A	-1.3558
16	G	A	-1.0199
17	S	A	-1.5349
18	L	A	-1.1504
19	R	A	-2.3599
20	L	A	0.0000
21	S	A	-0.4314
22	C	A	0.0000
23	A	A	-0.1840
24	A	A	0.0000
25	S	A	-1.4691
26	G	A	-2.2305
27	R	A	-2.4430
28	T	A	-1.2212
29	F	A	0.0000
30	S	A	-0.8607
31	Y	A	-0.6567
32	N	A	0.0000
33	P	A	0.0000
34	M	A	0.0000
35	G	A	0.0000
36	W	A	0.0000
37	F	A	0.0000
38	R	A	0.0000
39	Q	A	-1.6591
40	A	A	-1.6349
41	P	A	-1.2102
42	G	A	-1.6851
43	K	A	-2.6713
44	G	A	-2.1973
45	R	A	-2.0571
46	E	A	-1.1809
47	L	A	-0.0006
48	V	A	0.0000
49	A	A	0.0000
50	A	A	0.0000
51	I	A	0.0000
52	S	A	0.0000
53	R	A	-1.8653
54	T	A	-1.5300
55	G	A	-1.2215
56	G	A	-1.2920
57	S	A	-0.9609
58	T	A	-0.1004
59	Y	A	0.1290
60	Y	A	-0.6670
61	P	A	-1.3172
62	D	A	-2.5568
63	S	A	-1.8575
64	V	A	0.0000
65	E	A	-2.7294
66	G	A	-1.9768
67	R	A	-1.9478
68	F	A	0.0000
69	T	A	-1.0456
70	I	A	0.0000
71	S	A	-0.4946
72	R	A	-1.0670
73	D	A	-1.5402
74	N	A	-1.6810
75	A	A	-1.4585
76	K	A	-2.4379
77	R	A	-2.1835
78	M	A	-1.0393
79	V	A	0.0000
80	Y	A	-0.6155
81	L	A	0.0000
82	Q	A	-1.7791
83	M	A	0.0000
84	N	A	-2.1463
85	S	A	-1.4710
86	L	A	0.0000
87	R	A	-2.3674
88	A	A	-1.7281
89	E	A	-2.2554
90	D	A	0.0000
91	T	A	-0.8762
92	A	A	0.0000
93	V	A	-0.4263
94	Y	A	0.0000
95	Y	A	-0.2104
96	C	A	0.0000
97	A	A	0.0000
98	A	A	0.0000
99	A	A	0.0000
100	G	A	0.1787
101	V	A	0.5599
102	R	A	-1.6930
103	A	A	-2.2103
104	E	A	-3.4382
105	D	A	-3.6747
106	G	A	-2.6926
107	R	A	-3.1655
108	V	A	-0.9440
109	R	A	-0.1099
110	T	A	0.6469
111	L	A	1.1541
112	P	A	0.0304
113	S	A	-0.1710
114	E	A	-0.2096
115	Y	A	0.0000
116	T	A	0.1012
117	F	A	-0.2332
118	W	A	0.1208
119	G	A	-0.1719
120	Q	A	-0.8867
121	G	A	-0.5477
122	T	A	-0.7097
123	Q	A	-0.9966
124	V	A	0.0000
125	T	A	-0.3342
126	V	A	0.0000
127	S	A	-0.7577
128	S	A	-0.6886