Project name: envmab

Chain sequence(s)	A: QVQLVESGGGLVQPGGSLRLSCAASGKMSSRRCMAWFRQAPGKERERVAKLLTTSGSTYLADSVKGRFTISRDNSKNTVYLQMNSLRAEDTAVYYCAADSFEDPTCTLVTSSGAFQYWGQGTLVTVSS
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                                          (00:01:35)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:36)

• Minimal score value: -3.4821
• Maximal score value: 1.7426
• Average score: -0.7769
• Total score value: -99.4494

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	A	-2.0085
2	V	A	0.0000
3	Q	A	-1.4907
4	L	A	0.0000
5	V	A	1.0696
6	E	A	0.4127
7	S	A	-0.2744
8	G	A	-0.7990
9	G	A	0.0886
10	G	A	0.6312
11	L	A	1.3285
12	V	A	0.0000
13	Q	A	-1.4993
14	P	A	-1.8891
15	G	A	-1.6673
16	G	A	-1.1977
17	S	A	-1.6196
18	L	A	-1.2461
19	R	A	-2.3456
20	L	A	0.0000
21	S	A	-0.6135
22	C	A	0.0000
23	A	A	-0.2011
24	A	A	0.0000
25	S	A	-1.3678
26	G	A	-2.0294
27	K	A	-2.3628
28	M	A	-1.4840
29	S	A	-1.1849
30	S	A	-1.2259
31	R	A	-1.8846
32	R	A	-1.1309
33	C	A	0.0000
34	M	A	0.0000
35	A	A	0.0000
36	W	A	0.0000
37	F	A	0.0000
38	R	A	0.0000
39	Q	A	-1.7314
40	A	A	-1.6435
41	P	A	-1.5371
42	G	A	-1.9165
43	K	A	-3.3070
44	E	A	-3.4821
45	R	A	-2.7612
46	E	A	-2.6007
47	R	A	-1.2220
48	V	A	0.0000
49	A	A	0.0000
50	K	A	0.0000
51	L	A	0.0000
52	L	A	0.0000
53	T	A	-1.1345
54	T	A	-0.6976
55	S	A	-0.5019
56	G	A	-0.5027
57	S	A	0.0106
58	T	A	0.5054
59	Y	A	0.8460
60	L	A	-0.2177
61	A	A	-1.1902
62	D	A	-2.2857
63	S	A	-1.5494
64	V	A	0.0000
65	K	A	-2.4348
66	G	A	-1.8497
67	R	A	-1.6436
68	F	A	0.0000
69	T	A	-0.8899
70	I	A	0.0000
71	S	A	-1.1279
72	R	A	-2.3686
73	D	A	-2.5210
74	N	A	-2.7102
75	S	A	-2.1155
76	K	A	-2.7991
77	N	A	-2.2188
78	T	A	0.0000
79	V	A	0.0000
80	Y	A	-1.0675
81	L	A	0.0000
82	Q	A	-1.7519
83	M	A	0.0000
84	N	A	-2.1505
85	S	A	-1.6399
86	L	A	0.0000
87	R	A	-2.9029
88	A	A	-1.9972
89	E	A	-2.4283
90	D	A	0.0000
91	T	A	-0.4932
92	A	A	0.0000
93	V	A	0.7787
94	Y	A	0.0000
95	Y	A	0.0399
96	C	A	0.0000
97	A	A	0.0000
98	A	A	0.0000
99	D	A	0.0000
100	S	A	-0.8897
101	F	A	-0.9424
102	E	A	-2.1847
103	D	A	-1.2459
104	P	A	-1.1487
105	T	A	-0.3802
106	C	A	0.0000
107	T	A	0.2706
108	L	A	0.8799
109	V	A	0.0000
110	T	A	-0.0565
111	S	A	-0.6429
112	S	A	-1.1377
113	G	A	-0.7686
114	A	A	-0.4088
115	F	A	0.0000
116	Q	A	-1.1069
117	Y	A	-0.5706
118	W	A	-0.1096
119	G	A	-0.1718
120	Q	A	-0.9126
121	G	A	0.0688
122	T	A	0.6003
123	L	A	1.7426
124	V	A	0.0000
125	T	A	0.2689
126	V	A	0.0000
127	S	A	-0.8709
128	S	A	-0.5293