Project name: 1W08

Chain sequence(s)	A: KVFERCELARTLKRLGMDGYRGISLANWMCLAKWESGYNTRATNYNAGDRSTDYGIFQINSRYWCNDGKNPGAVNACHLSCSALLQDNIADAVACAKRVVRDPQGIRAWVAWRNRCQNRDVRQYVQGCGV
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: -4.211
• Maximal score value: 0.8639
• Average score: -1.182
• Total score value: -153.6549

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	K	A	-2.5014
2	V	A	-0.3099
3	F	A	0.0000
4	E	A	-2.1325
5	R	A	-1.9067
6	C	A	-1.7600
7	E	A	-2.1760
8	L	A	0.0000
9	A	A	0.0000
10	R	A	-2.7472
11	T	A	-1.8032
12	L	A	0.0000
13	K	A	-2.7078
14	R	A	-2.6410
15	L	A	-1.2399
16	G	A	-1.5769
17	M	A	0.0000
18	D	A	-2.6727
19	G	A	-2.0162
20	Y	A	-1.8813
21	R	A	-2.8866
22	G	A	-1.7798
23	I	A	0.0000
24	S	A	-1.5148
25	L	A	0.0000
26	A	A	0.0000
27	N	A	-1.3311
28	W	A	0.0000
29	M	A	0.0000
30	C	A	0.0000
31	L	A	0.0000
32	A	A	0.0000
33	K	A	-1.1682
34	W	A	-0.4771
35	E	A	-0.5024
36	S	A	-0.7179
37	G	A	-0.6603
38	Y	A	0.0000
39	N	A	-1.5014
40	T	A	0.0000
41	R	A	-2.4879
42	A	A	-1.3670
43	T	A	-0.8432
44	N	A	-0.7909
45	Y	A	-0.0908
46	N	A	-1.1131
47	A	A	-1.0305
48	G	A	-1.2439
49	D	A	-1.9932
50	R	A	-2.7513
51	S	A	0.0000
52	T	A	-1.2589
53	D	A	-0.6967
54	Y	A	-0.4813
55	G	A	0.0000
56	I	A	0.0000
57	F	A	0.0000
58	Q	A	0.0000
59	I	A	0.0000
60	N	A	-0.8412
61	S	A	0.0000
62	R	A	-2.1322
63	Y	A	0.3021
64	W	A	-0.2613
65	C	A	0.0000
66	N	A	-2.3179
67	D	A	-2.5404
68	G	A	-2.3833
69	K	A	-3.2671
70	N	A	-2.5698
71	P	A	-1.4979
72	G	A	-0.8503
73	A	A	-0.7445
74	V	A	0.8639
75	N	A	-0.2692
76	A	A	0.0000
77	C	A	-0.5457
78	H	A	-0.9570
79	L	A	-1.0175
80	S	A	-1.2370
81	C	A	0.0000
82	S	A	-0.8472
83	A	A	-0.9716
84	L	A	0.0000
85	L	A	-1.9425
86	Q	A	-3.0083
87	D	A	-3.4350
88	N	A	-2.8147
89	I	A	0.0000
90	A	A	-1.0598
91	D	A	-1.4482
92	A	A	0.0000
93	V	A	0.0000
94	A	A	-0.6025
95	C	A	0.0000
96	A	A	0.0000
97	K	A	-1.7664
98	R	A	-2.0013
99	V	A	0.0000
100	V	A	0.0000
101	R	A	-3.4820
102	D	A	-3.1934
103	P	A	-2.2280
104	Q	A	-2.2685
105	G	A	-2.5637
106	I	A	0.0000
107	R	A	-2.1311
108	A	A	-0.9168
109	W	A	0.0000
110	V	A	0.5451
111	A	A	-0.4928
112	W	A	0.0000
113	R	A	-2.2389
114	N	A	-2.4109
115	R	A	-2.6799
116	C	A	0.0000
117	Q	A	-3.0134
118	N	A	-3.2361
119	R	A	-4.2110
120	D	A	-3.7848
121	V	A	-2.8377
122	R	A	-3.2197
123	Q	A	-2.4632
124	Y	A	-1.7221
125	V	A	0.0000
126	Q	A	-2.1468
127	G	A	-1.3601
128	C	A	0.0000
129	G	A	-0.4722
130	V	A	-0.2021