Project name: ace8196c2cd3904

Chain sequence(s)	A: GKITLYEDRGFQGRHYECSSDHPNLQPYLSRCNSARVDSGCWMLYEQPNYSGLQYFLRRGDYADHEQWMGLSDSVRSCRLIPHSGSHRIRLYEREDYRGQMIEFTEDCSCLQDRFRFNEIHSLNVLEGSWVLYELSNYRGRQYLLMPGDYRRYQDWGATNARVGSLRRVIDFS
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                                          (00:02:01)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:02)

• Minimal score value: -3.8706
• Maximal score value: 1.3014
• Average score: -1.1081
• Total score value: -191.6943

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	G	A	-1.5712
2	K	A	-2.2535
3	I	A	0.0000
4	T	A	-1.7765
5	L	A	0.0000
6	Y	A	-2.1521
7	E	A	-2.4009
8	D	A	-3.0090
9	R	A	-2.6591
10	G	A	-1.6292
11	F	A	-1.7091
12	Q	A	-2.6605
13	G	A	-2.7510
14	R	A	-2.8597
15	H	A	-2.3922
16	Y	A	-1.3715
17	E	A	-2.1917
18	C	A	0.0000
19	S	A	-1.4845
20	S	A	-1.2142
21	D	A	-1.2775
22	H	A	-1.3196
23	P	A	-1.4230
24	N	A	-1.3828
25	L	A	0.0000
26	Q	A	-1.2896
27	P	A	-0.5150
28	Y	A	-0.3170
29	L	A	0.0000
30	S	A	-1.3751
31	R	A	-2.0954
32	C	A	0.0000
33	N	A	-2.0677
34	S	A	0.0000
35	A	A	0.0000
36	R	A	-2.0284
37	V	A	0.0000
38	D	A	-2.9214
39	S	A	-1.5608
40	G	A	0.0000
41	C	A	0.0000
42	W	A	0.0000
43	M	A	0.0000
44	L	A	0.0000
45	Y	A	0.0000
46	E	A	-1.1185
47	Q	A	-1.7372
48	P	A	-1.5099
49	N	A	-1.6320
50	Y	A	-0.9544
51	S	A	-0.8790
52	G	A	-0.8134
53	L	A	-0.1165
54	Q	A	-0.2082
55	Y	A	0.0000
56	F	A	0.0000
57	L	A	-0.2125
58	R	A	-0.8410
59	R	A	-1.8164
60	G	A	-1.9436
61	D	A	-2.5155
62	Y	A	-1.7252
63	A	A	-1.7712
64	D	A	-2.0058
65	H	A	-1.6911
66	E	A	-1.8906
67	Q	A	-2.0418
68	W	A	0.0000
69	M	A	-0.1010
70	G	A	-0.1862
71	L	A	0.8511
72	S	A	0.0000
73	D	A	-1.8040
74	S	A	0.0000
75	V	A	0.0000
76	R	A	-1.6092
77	S	A	0.0000
78	C	A	0.0000
79	R	A	-0.8325
80	L	A	-0.6455
81	I	A	0.0000
82	P	A	-0.6862
83	H	A	-0.8818
84	S	A	-0.8079
85	G	A	-0.8233
86	S	A	-1.1588
87	H	A	0.0000
88	R	A	-2.7228
89	I	A	0.0000
90	R	A	-1.4316
91	L	A	0.0000
92	Y	A	-1.7476
93	E	A	0.0000
94	R	A	-3.7129
95	E	A	-3.6785
96	D	A	-3.1866
97	Y	A	-2.4762
98	R	A	-3.0042
99	G	A	-1.9972
100	Q	A	-0.7906
101	M	A	-0.4830
102	I	A	-0.9302
103	E	A	-2.4873
104	F	A	0.0000
105	T	A	-2.5197
106	E	A	-3.0495
107	D	A	-2.3680
108	C	A	0.0000
109	S	A	-1.5473
110	C	A	-1.5126
111	L	A	0.0000
112	Q	A	-2.7520
113	D	A	-3.4373
114	R	A	-3.2661
115	F	A	-1.8730
116	R	A	-2.0919
117	F	A	-0.2163
118	N	A	-1.0340
119	E	A	-2.1708
120	I	A	0.0000
121	H	A	-3.0290
122	S	A	0.0000
123	L	A	0.0000
124	N	A	0.0000
125	V	A	0.0000
126	L	A	-0.8140
127	E	A	-1.3053
128	G	A	-1.0403
129	S	A	0.0000
130	W	A	0.0000
131	V	A	0.0000
132	L	A	0.0000
133	Y	A	0.0000
134	E	A	-0.8538
135	L	A	-0.4528
136	S	A	-1.0839
137	N	A	-1.6099
138	Y	A	-1.2476
139	R	A	-1.9250
140	G	A	-1.1021
141	R	A	-0.6462
142	Q	A	0.0000
143	Y	A	-0.1065
144	L	A	0.0000
145	L	A	0.0000
146	M	A	-0.2067
147	P	A	-0.8113
148	G	A	-1.0195
149	D	A	-2.4413
150	Y	A	-2.5387
151	R	A	-3.7014
152	R	A	-3.8706
153	Y	A	-2.2688
154	Q	A	-2.4245
155	D	A	-2.4285
156	W	A	0.0000
157	G	A	-1.4401
158	A	A	-1.2916
159	T	A	-0.7807
160	N	A	-1.4390
161	A	A	0.0000
162	R	A	-1.4428
163	V	A	0.0000
164	G	A	0.0000
165	S	A	0.0000
166	L	A	0.0000
167	R	A	-1.2944
168	R	A	-1.2830
169	V	A	0.0000
170	I	A	0.3879
171	D	A	0.2339
172	F	A	1.3014
173	S	A	0.5373