Project name: M-3

Chain sequence(s)	A: EVQLVESGGGLVQPGGSLRLSCAASGFTLDYYAINWFRQAPGKEREGVSCISGGDGSTYYADSVKGRFTISRDNSKNTLYLQMNSLRAEDTAVYYCATALGLSSSCHGDGYDYWGQGTLVTVSS
Selected Chain(s)	A
Distance of aggregation	5 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                                          (00:00:52)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:53)

• Minimal score value: -2.2692
• Maximal score value: 1.6204
• Average score: -0.2776
• Total score value: -34.4205

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	-1.7385
2	V	A	-0.0944
3	Q	A	-0.7900
4	L	A	0.0000
5	V	A	1.3827
6	E	A	0.0361
7	S	A	-0.2947
8	G	A	-0.3936
9	G	A	-0.2855
10	G	A	0.0578
11	L	A	1.5449
12	V	A	0.2500
13	Q	A	-1.1975
14	P	A	-0.4872
15	G	A	-0.5354
16	G	A	-0.2265
17	S	A	-0.2499
18	L	A	-0.1145
19	R	A	-1.8414
20	L	A	0.0000
21	S	A	-0.0292
22	C	A	0.0000
23	A	A	0.0225
24	A	A	0.0000
25	S	A	-0.2972
26	G	A	-0.4049
27	F	A	0.1358
28	T	A	-0.0019
29	L	A	0.0000
30	D	A	-0.3821
31	Y	A	1.2600
32	Y	A	0.5368
33	A	A	0.0000
34	I	A	0.0000
35	N	A	0.0000
36	W	A	0.0000
37	F	A	0.1930
38	R	A	0.0000
39	Q	A	-0.3911
40	A	A	-0.0876
41	P	A	-0.3370
42	G	A	-0.8139
43	K	A	-2.1200
44	E	A	-2.2692
45	R	A	-1.3531
46	E	A	-1.5210
47	G	A	-0.3736
48	V	A	0.0000
49	S	A	0.0000
50	C	A	0.0000
51	I	A	0.0000
52	S	A	0.0000
53	G	A	0.0000
54	G	A	-0.7882
55	D	A	-1.9058
56	G	A	-0.5367
57	S	A	-0.2313
58	T	A	0.0568
59	Y	A	0.7957
60	Y	A	0.3379
61	A	A	-0.2771
62	D	A	-1.8259
63	S	A	-0.5324
64	V	A	0.0000
65	K	A	-1.7849
66	G	A	-0.8285
67	R	A	-0.3801
68	F	A	0.0000
69	T	A	-0.0516
70	I	A	0.0000
71	S	A	-0.1565
72	R	A	-0.4168
73	D	A	-0.7660
74	N	A	-1.0130
75	S	A	-0.6702
76	K	A	-1.7767
77	N	A	-0.6216
78	T	A	0.0000
79	L	A	0.0000
80	Y	A	0.1391
81	L	A	0.0000
82	Q	A	-0.5717
83	M	A	0.0000
84	N	A	-0.7143
85	S	A	-0.2946
86	L	A	0.0000
87	R	A	-1.1799
88	A	A	-0.4819
89	E	A	-1.8095
90	D	A	0.0000
91	T	A	-0.0158
92	A	A	0.0000
93	V	A	0.7381
94	Y	A	0.0000
95	Y	A	0.1288
96	C	A	0.0000
97	A	A	0.0000
98	T	A	0.0000
99	A	A	0.0000
100	L	A	0.2371
101	G	A	-0.1249
102	L	A	1.4511
103	S	A	0.1825
104	S	A	-0.1702
105	S	A	-0.1288
106	C	A	-0.0945
107	H	A	-0.9926
108	G	A	-0.6235
109	D	A	-1.8593
110	G	A	-0.5219
111	Y	A	0.0064
112	D	A	-1.6502
113	Y	A	0.1256
114	W	A	0.4435
115	G	A	-0.1968
116	Q	A	-1.2245
117	G	A	-0.2919
118	T	A	0.2559
119	L	A	1.6204
120	V	A	0.0000
121	T	A	0.1517
122	V	A	0.0000
123	S	A	-0.1387
124	S	A	-0.2310