Project name: 6314f27f64b497f

Chain sequence(s)	A: GKITFYEDRAFQGRSYETTTDCPNLQPYFSRCNSIRVESGCWMLYERPNYQGQQYLLRRGEYPDYQQWMGLSDSIRSCCLIPQTVSHRLRLYEREDHKGLMMELSEDCPSIQDRFHLSEIRSLHVLEGCWVLYELPNYRGRQYLLRPQEYRRCQDWGAMDAKAGSLRRVVDLY
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]                                                (00:00:01)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:01)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:02:50)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:51)

• Minimal score value: -5.0035
• Maximal score value: 1.5558
• Average score: -1.0859
• Total score value: -187.8685

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	-0.7703
2	K	A	-1.4290
3	I	A	0.0000
4	T	A	0.0000
5	F	A	0.0000
6	Y	A	-2.0495
7	E	A	0.0000
8	D	A	-3.4959
9	R	A	-3.1466
10	A	A	-1.5488
11	F	A	-1.7593
12	Q	A	-2.6404
13	G	A	-2.6092
14	R	A	-2.5323
15	S	A	-1.4379
16	Y	A	-0.5409
17	E	A	-0.9084
18	T	A	0.0000
19	T	A	-0.8975
20	T	A	-0.7228
21	D	A	-0.9572
22	C	A	-1.0765
23	P	A	-1.8109
24	N	A	-2.2766
25	L	A	0.0000
26	Q	A	-2.0419
27	P	A	-0.8210
28	Y	A	-0.6397
29	F	A	0.0000
30	S	A	-1.8095
31	R	A	-2.1607
32	C	A	0.0000
33	N	A	-2.4890
34	S	A	0.0000
35	I	A	0.0000
36	R	A	-2.1371
37	V	A	0.0000
38	E	A	-2.0501
39	S	A	-1.1045
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	-1.9234
47	R	A	-2.9636
48	P	A	-2.5067
49	N	A	-2.1877
50	Y	A	-1.4929
51	Q	A	-1.8605
52	G	A	-1.2405
53	Q	A	-0.6373
54	Q	A	0.0000
55	Y	A	0.0000
56	L	A	-0.5367
57	L	A	0.0000
58	R	A	-2.3990
59	R	A	-2.6750
60	G	A	-2.4206
61	E	A	-2.9313
62	Y	A	0.0000
63	P	A	-2.0551
64	D	A	-2.5015
65	Y	A	0.0000
66	Q	A	-1.7803
67	Q	A	-1.8474
68	W	A	-0.5628
69	M	A	0.0518
70	G	A	-0.2794
71	L	A	0.3288
72	S	A	-0.6197
73	D	A	-1.9335
74	S	A	-1.6143
75	I	A	0.0000
76	R	A	-2.7210
77	S	A	0.0000
78	C	A	0.0000
79	C	A	0.0000
80	L	A	-0.1405
81	I	A	0.0785
82	P	A	0.1173
83	Q	A	0.4860
84	T	A	0.5397
85	V	A	1.5558
86	S	A	0.0561
87	H	A	-1.4102
88	R	A	-2.3754
89	L	A	0.0000
90	R	A	-0.7660
91	L	A	0.0000
92	Y	A	0.0000
93	E	A	-2.0134
94	R	A	-4.0997
95	E	A	-5.0035
96	D	A	-4.7674
97	H	A	-3.6563
98	K	A	-3.3988
99	G	A	-1.5970
100	L	A	0.8083
101	M	A	0.4338
102	M	A	0.4511
103	E	A	-1.0189
104	L	A	-1.3201
105	S	A	-2.2260
106	E	A	-2.8240
107	D	A	-2.1934
108	C	A	0.0000
109	P	A	-1.8187
110	S	A	0.0000
111	I	A	0.0000
112	Q	A	-2.6497
113	D	A	-3.1506
114	R	A	-2.8775
115	F	A	-1.1465
116	H	A	-2.2156
117	L	A	-1.5815
118	S	A	-1.6576
119	E	A	-2.6527
120	I	A	0.0000
121	R	A	-4.0103
122	S	A	0.0000
123	L	A	0.0000
124	H	A	-1.9288
125	V	A	0.0000
126	L	A	-1.3337
127	E	A	-1.6383
128	G	A	0.0000
129	C	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	-0.9699
135	L	A	-0.0337
136	P	A	-0.9423
137	N	A	-1.6646
138	Y	A	-1.3158
139	R	A	-1.6341
140	G	A	-0.6364
141	R	A	-0.5156
142	Q	A	0.0000
143	Y	A	0.0000
144	L	A	0.0000
145	L	A	0.0000
146	R	A	-1.0661
147	P	A	-1.5153
148	Q	A	-1.8068
149	E	A	-2.8546
150	Y	A	0.0000
151	R	A	-4.6220
152	R	A	-4.3713
153	C	A	-2.4087
154	Q	A	-2.1641
155	D	A	-2.1344
156	W	A	0.0000
157	G	A	-1.0707
158	A	A	0.0000
159	M	A	0.1084
160	D	A	-1.1335
161	A	A	-1.7472
162	K	A	-1.6369
163	A	A	0.0000
164	G	A	0.0000
165	S	A	0.0000
166	L	A	0.0000
167	R	A	-2.0962
168	R	A	-1.6924
169	V	A	0.0000
170	V	A	1.5138
171	D	A	0.7883
172	L	A	0.6817
173	Y	A	1.1905