Project name: M-2

Chain sequence(s)	A: DVQLVESGGGLVQPGGSLKLSCAASGFAFDDYAIGWFRQAPGEERLGVSSISSTYGLAYYADSVKGRFTISSDNSKNTVYLQMNSLRPEDTAVYYCAATPIGLIGLDAYEYDYWGQGTLVTVSS
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                                          (00:01:08)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:09)

• Minimal score value: -2.237
• Maximal score value: 1.7392
• Average score: -0.2091
• Total score value: -25.9252

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	D	A	-1.7464
2	V	A	-0.3699
3	Q	A	-1.1554
4	L	A	0.0000
5	V	A	1.7392
6	E	A	0.1127
7	S	A	-0.2638
8	G	A	-0.3681
9	G	A	-0.2831
10	G	A	0.0639
11	L	A	1.5122
12	V	A	0.0000
13	Q	A	-1.2199
14	P	A	-0.4191
15	G	A	-0.5243
16	G	A	-0.1722
17	S	A	-0.2404
18	L	A	-0.1049
19	K	A	-1.7112
20	L	A	0.0000
21	S	A	-0.0130
22	C	A	0.0000
23	A	A	0.0344
24	A	A	0.0000
25	S	A	-0.2971
26	G	A	-0.4267
27	F	A	0.1903
28	A	A	0.1060
29	F	A	0.0000
30	D	A	-2.1147
31	D	A	-2.0809
32	Y	A	-0.1882
33	A	A	0.0000
34	I	A	0.0000
35	G	A	0.0000
36	W	A	0.0000
37	F	A	0.0000
38	R	A	-0.3022
39	Q	A	-0.4923
40	A	A	-0.1053
41	P	A	-0.3372
42	G	A	-0.8087
43	E	A	-2.0706
44	E	A	-2.2370
45	R	A	-0.9293
46	L	A	0.3543
47	G	A	0.0802
48	V	A	0.0000
49	S	A	0.0000
50	S	A	0.0000
51	I	A	0.0000
52	S	A	0.0000
53	S	A	0.0000
54	T	A	-0.0115
55	Y	A	1.2202
56	G	A	-0.0588
57	L	A	0.8629
58	A	A	0.3273
59	Y	A	0.8030
60	Y	A	0.3946
61	A	A	-0.2666
62	D	A	-1.8260
63	S	A	-0.5343
64	V	A	0.0000
65	K	A	-1.7853
66	G	A	-0.8348
67	R	A	-0.4063
68	F	A	0.0000
69	T	A	-0.0381
70	I	A	0.0000
71	S	A	-0.1287
72	S	A	-0.1575
73	D	A	-0.5194
74	N	A	-0.7994
75	S	A	-0.6338
76	K	A	-1.8111
77	N	A	-0.7854
78	T	A	0.0000
79	V	A	0.0000
80	Y	A	0.3222
81	L	A	0.0000
82	Q	A	-0.6453
83	M	A	0.0000
84	N	A	-0.5246
85	S	A	-0.3342
86	L	A	0.0000
87	R	A	-1.7315
88	P	A	-0.8226
89	E	A	-1.8542
90	D	A	0.0000
91	T	A	-0.0201
92	A	A	0.0000
93	V	A	0.7401
94	Y	A	0.0000
95	Y	A	0.1400
96	C	A	0.0000
97	A	A	0.0000
98	A	A	0.0000
99	T	A	0.0000
100	P	A	0.1407
101	I	A	1.4637
102	G	A	0.0967
103	L	A	1.5195
104	I	A	0.5767
105	G	A	0.0592
106	L	A	0.1817
107	D	A	-1.0785
108	A	A	0.0318
109	Y	A	1.2241
110	E	A	-0.2838
111	Y	A	0.0000
112	D	A	-1.7113
113	Y	A	0.1570
114	W	A	0.3582
115	G	A	-0.2277
116	Q	A	-1.2272
117	G	A	-0.2913
118	T	A	0.2568
119	L	A	1.6204
120	V	A	0.0000
121	T	A	0.1555
122	V	A	0.0000
123	S	A	-0.1977
124	S	A	-0.2418