Project name: query_structure

Chain sequence(s)	A: MVQLQESGGGSVQAGGSLRLSCVASGDTASMYCMGWFRQAPGKEREEVATIDSDGSVSIADSLKGRFTISKDSANNALYLHMNSLRPEDTANYYCAAGRPPCGSIFKPGYYYYGMDYWGKGTLVTVSS
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                                          (00:01:05)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:06)

• Minimal score value: -4.0289
• Maximal score value: 2.7442
• Average score: -0.7733
• Total score value: -98.9869

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	M	A	0.1609
2	V	A	0.0000
3	Q	A	-1.5979
4	L	A	0.0000
5	Q	A	-1.5348
6	E	A	0.0000
7	S	A	-0.5443
8	G	A	-0.7779
9	G	A	-0.3407
10	G	A	-0.2098
11	S	A	-0.3174
12	V	A	-0.8814
13	Q	A	-1.7260
14	A	A	-1.9586
15	G	A	-1.6543
16	G	A	-1.3735
17	S	A	-1.6201
18	L	A	-1.2685
19	R	A	-2.0995
20	L	A	0.0000
21	S	A	-0.5952
22	C	A	0.0000
23	V	A	-0.1102
24	A	A	0.0000
25	S	A	-1.2549
26	G	A	-1.4284
27	D	A	-1.9594
28	T	A	-1.2413
29	A	A	-0.6897
30	S	A	-0.6877
31	M	A	0.0000
32	Y	A	-0.2433
33	C	A	0.0000
34	M	A	0.0000
35	G	A	0.0000
36	W	A	0.0000
37	F	A	-1.1762
38	R	A	-1.8548
39	Q	A	-2.6196
40	A	A	-2.1218
41	P	A	-1.6206
42	G	A	-2.0358
43	K	A	-3.5279
44	E	A	-4.0289
45	R	A	-3.7334
46	E	A	-3.0869
47	E	A	-2.3123
48	V	A	0.0000
49	A	A	0.0000
50	T	A	0.0000
51	I	A	0.0000
52	D	A	-0.7450
53	S	A	-1.2713
54	D	A	-1.9808
55	G	A	-1.1965
56	S	A	-0.4552
57	V	A	0.7964
58	S	A	0.0785
59	I	A	-0.6126
60	A	A	-1.6896
61	D	A	-2.3990
62	S	A	-1.6233
63	L	A	0.0000
64	K	A	-2.5828
65	G	A	-1.8958
66	R	A	-1.7245
67	F	A	0.0000
68	T	A	-0.7941
69	I	A	0.0000
70	S	A	-0.4039
71	K	A	-1.1994
72	D	A	-1.2347
73	S	A	-1.0839
74	A	A	-1.0290
75	N	A	-1.5926
76	N	A	-1.1583
77	A	A	0.0000
78	L	A	0.0000
79	Y	A	-0.4953
80	L	A	0.0000
81	H	A	-1.4484
82	M	A	0.0000
83	N	A	-2.2875
84	S	A	-1.7507
85	L	A	0.0000
86	R	A	-3.0379
87	P	A	-2.1597
88	E	A	-2.5004
89	D	A	0.0000
90	T	A	-0.9619
91	A	A	0.0000
92	N	A	-0.3271
93	Y	A	0.0000
94	Y	A	-0.7436
95	C	A	0.0000
96	A	A	0.0000
97	A	A	0.0000
98	G	A	0.0000
99	R	A	-1.8117
100	P	A	-1.0742
101	P	A	-0.8732
102	C	A	0.0000
103	G	A	-0.8304
104	S	A	0.2802
105	I	A	0.9797
106	F	A	0.0730
107	K	A	-1.0276
108	P	A	-0.6018
109	G	A	0.1387
110	Y	A	1.8068
111	Y	A	2.7442
112	Y	A	2.6155
113	Y	A	2.1798
114	G	A	0.2854
115	M	A	-0.3923
116	D	A	-1.5619
117	Y	A	-0.8370
118	W	A	-0.5918
119	G	A	-1.0520
120	K	A	-2.0115
121	G	A	0.0000
122	T	A	-0.1171
123	L	A	0.9886
124	V	A	0.0000
125	T	A	-0.4911
126	V	A	0.0000
127	S	A	-1.2538
128	S	A	-0.9694