Project name: query_structure

Chain sequence(s)	A: QVQLVESGGGLVQAGGSLRLSCAASGSIFSSNAMAWYRQTPEKQRELICDITRGGITKCADSVKGRFTISRDNTKNTVYLQMNSLKSEDTAVYYCAAKSEGYFGFPRVENEYPYWGQGTQVTV
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]                                                (00:00:00)
[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 A 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                                          (00:01:25)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:26)

• Minimal score value: -3.754
• Maximal score value: 2.3881
• Average score: -0.6961
• Total score value: -85.6167

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	-0.8998
2	V	A	0.2324
3	Q	A	-0.3550
4	L	A	0.0000
5	V	A	0.8967
6	E	A	0.0000
7	S	A	-0.5150
8	G	A	-0.9722
9	G	A	-0.7904
10	G	A	0.1974
11	L	A	1.1960
12	V	A	0.2070
13	Q	A	-1.0238
14	A	A	-1.2862
15	G	A	-1.3088
16	G	A	-0.8297
17	S	A	-1.2546
18	L	A	-1.0493
19	R	A	-2.2406
20	L	A	0.0000
21	S	A	-0.4863
22	C	A	0.0000
23	A	A	-0.2218
24	A	A	-0.0157
25	S	A	-0.3041
26	G	A	-0.1959
27	S	A	-0.0020
28	I	A	0.0000
29	F	A	0.6277
30	S	A	-0.3480
31	S	A	0.0000
32	N	A	-1.8071
33	A	A	0.0000
34	M	A	0.0000
35	A	A	0.0000
36	W	A	0.0000
37	Y	A	-0.4039
38	R	A	-1.1646
39	Q	A	-2.1942
40	T	A	0.0000
41	P	A	-2.0093
42	E	A	-3.2172
43	K	A	-3.7540
44	Q	A	-3.2734
45	R	A	-2.8465
46	E	A	-1.5088
47	L	A	-0.7353
48	I	A	0.0000
49	C	A	0.0000
50	D	A	-0.6125
51	I	A	0.0000
52	T	A	-0.8647
53	R	A	-1.6249
54	G	A	-0.8446
55	G	A	-0.4130
56	I	A	0.9544
57	T	A	-0.3235
58	K	A	-1.7449
59	C	A	-1.7681
60	A	A	-1.7684
61	D	A	-2.7528
62	S	A	-1.8094
63	V	A	0.0000
64	K	A	-2.9113
65	G	A	-1.7885
66	R	A	-1.7314
67	F	A	0.0000
68	T	A	-1.2656
69	I	A	0.0000
70	S	A	-0.3685
71	R	A	-1.0209
72	D	A	-1.2953
73	N	A	-1.2358
74	T	A	-1.1932
75	K	A	-2.0816
76	N	A	-1.3020
77	T	A	0.0000
78	V	A	0.0000
79	Y	A	-0.7340
80	L	A	0.0000
81	Q	A	-1.5934
82	M	A	0.0000
83	N	A	-1.4718
84	S	A	-1.2447
85	L	A	0.0000
86	K	A	-2.4737
87	S	A	-1.8686
88	E	A	-2.3657
89	D	A	0.0000
90	T	A	-0.8904
91	A	A	0.0000
92	V	A	-0.7300
93	Y	A	0.0000
94	Y	A	-0.2272
95	C	A	0.0000
96	A	A	0.0000
97	A	A	0.0000
98	K	A	-1.3654
99	S	A	-1.0621
100	E	A	-1.9629
101	G	A	-0.3152
102	Y	A	1.7099
103	F	A	2.3881
104	G	A	1.4063
105	F	A	1.8601
106	P	A	-0.2890
107	R	A	-1.8580
108	V	A	-0.9549
109	E	A	-2.5023
110	N	A	-2.3192
111	E	A	-1.5985
112	Y	A	0.0000
113	P	A	-0.2453
114	Y	A	0.3455
115	W	A	0.4973
116	G	A	0.0833
117	Q	A	-0.8543
118	G	A	0.0000
119	T	A	0.0000
120	Q	A	-1.0419
121	V	A	0.0000
122	T	A	-0.0991
123	V	A	-0.4168