Project name: Nb_I_Hum

Chain sequence(s)	A: QVQLVESGGGLVQPGGSLRLSCAASGRTFSPYTWFRQAPGQGLEAVAIIGSDRSTDLDGDTRFTISRDNSKNTLYLQMNSLRAEDTAVYYCAALTAKGYVFTDNEYDYWGQGTLVTVSS
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                                          (00:01:09)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:10)

• Minimal score value: -3.0112
• Maximal score value: 2.2375
• Average score: -0.7272
• Total score value: -86.5344

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	-1.8147
2	V	A	-1.5476
3	Q	A	-1.3786
4	L	A	0.0000
5	V	A	1.1182
6	E	A	0.3663
7	S	A	-0.2431
8	G	A	-0.6376
9	G	A	0.1079
10	G	A	0.8132
11	L	A	1.2954
12	V	A	0.0000
13	Q	A	-1.4398
14	P	A	-1.7114
15	G	A	-1.4693
16	G	A	-1.0188
17	S	A	-1.2976
18	L	A	-1.0156
19	R	A	-2.0334
20	L	A	0.0000
21	S	A	-0.4236
22	C	A	0.0000
23	A	A	-0.1089
24	A	A	0.0000
25	S	A	-1.4968
26	G	A	-2.0073
27	R	A	-2.4724
28	T	A	-1.3527
29	F	A	0.0000
30	S	A	-1.0362
31	P	A	0.0000
32	Y	A	0.0000
33	T	A	0.0000
34	W	A	0.0000
35	F	A	0.0000
36	R	A	-0.5214
37	Q	A	-0.9098
38	A	A	-1.1168
39	P	A	-1.1916
40	G	A	-1.2958
41	Q	A	-1.8995
42	G	A	-1.3187
43	L	A	-0.7575
44	E	A	-1.3780
45	A	A	-0.8137
46	V	A	0.0000
47	A	A	0.0000
48	I	A	-0.0093
49	I	A	0.0000
50	G	A	-1.6194
51	S	A	-2.0833
52	D	A	-2.8725
53	R	A	-3.0112
54	S	A	-1.7297
55	T	A	-1.1723
56	D	A	-1.0037
57	L	A	-1.1449
58	D	A	-2.2433
59	G	A	-1.5960
60	D	A	-1.2804
61	T	A	-0.7782
62	R	A	-0.7199
63	F	A	0.0000
64	T	A	-0.5651
65	I	A	0.0000
66	S	A	-0.7852
67	R	A	-1.4595
68	D	A	-1.8527
69	N	A	-2.3131
70	S	A	-1.8845
71	K	A	-2.5054
72	N	A	-2.1292
73	T	A	0.0000
74	L	A	0.0000
75	Y	A	-0.6312
76	L	A	0.0000
77	Q	A	-1.1969
78	M	A	0.0000
79	N	A	-1.3984
80	S	A	-1.2252
81	L	A	0.0000
82	R	A	-2.4850
83	A	A	-1.8251
84	E	A	-2.3068
85	D	A	0.0000
86	T	A	-0.4852
87	A	A	0.0000
88	V	A	0.7755
89	Y	A	0.0000
90	Y	A	0.2576
91	C	A	0.0000
92	A	A	0.0000
93	A	A	0.0000
94	L	A	0.0000
95	T	A	-1.1571
96	A	A	-1.1078
97	K	A	-1.6142
98	G	A	-0.0068
99	Y	A	1.7353
100	V	A	2.2375
101	F	A	0.6587
102	T	A	-0.7840
103	D	A	-1.9041
104	N	A	-2.6302
105	E	A	-2.5146
106	Y	A	0.0000
107	D	A	-2.0285
108	Y	A	-0.6427
109	W	A	0.0358
110	G	A	-0.0585
111	Q	A	-0.7016
112	G	A	0.0721
113	T	A	0.5865
114	L	A	1.5728
115	V	A	0.0000
116	T	A	0.3125
117	V	A	0.0000
118	S	A	-0.7861
119	S	A	-0.5227