Project name: e84e3c3b75f9c9d

Chain sequence(s)	A: GKITLYEDRGFEGRHYECSSDHPNLQPYLSRCNSARVDSGCWMLYEQPNYSGLQYFLRRGDYADHQQWMGLSDSVRSCRLIPHSGSHRIRLYEREDYRGQMIEFTEDCSCLQDRFRFNEIHSLNVLEGSWVLYELSNYRGRQYLLMPGDYRRYQDWGATNARVGSLRRVIDFS
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                                          (00:02:05)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:06)

• Minimal score value: -4.4095
• Maximal score value: 1.14
• Average score: -1.139
• Total score value: -197.0425

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	-1.4758
2	K	A	-2.2043
3	I	A	0.0000
4	T	A	-1.6932
5	L	A	0.0000
6	Y	A	-1.8526
7	E	A	0.0000
8	D	A	-2.5792
9	R	A	-2.5382
10	G	A	-1.7067
11	F	A	-1.8415
12	E	A	-2.8980
13	G	A	-2.4813
14	R	A	-2.0463
15	H	A	-1.9221
16	Y	A	-1.1253
17	E	A	-2.1669
18	C	A	0.0000
19	S	A	-1.5362
20	S	A	-1.1864
21	D	A	-1.2393
22	H	A	-1.0856
23	P	A	-1.3994
24	N	A	-1.5048
25	L	A	0.0000
26	Q	A	-1.6422
27	P	A	-0.5265
28	Y	A	-0.1953
29	L	A	0.0000
30	S	A	-1.1874
31	R	A	-1.9333
32	C	A	0.0000
33	N	A	0.0000
34	S	A	0.0000
35	A	A	0.0000
36	R	A	-2.2345
37	V	A	0.0000
38	D	A	-2.9210
39	S	A	-1.5481
40	G	A	-0.9379
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	-1.2716
47	Q	A	-1.6716
48	P	A	-1.5484
49	N	A	-1.6418
50	Y	A	-0.8658
51	S	A	-0.8826
52	G	A	-0.9047
53	L	A	-0.3981
54	Q	A	-0.1406
55	Y	A	0.0000
56	F	A	0.1804
57	L	A	0.0000
58	R	A	-1.1106
59	R	A	-1.9349
60	G	A	-2.0163
61	D	A	-2.5843
62	Y	A	-1.6643
63	A	A	-1.6918
64	D	A	-1.7034
65	H	A	-1.6620
66	Q	A	-1.5412
67	Q	A	-1.6880
68	W	A	0.0000
69	M	A	-0.5493
70	G	A	-0.5836
71	L	A	0.1376
72	S	A	-0.7516
73	D	A	-2.0301
74	S	A	0.0000
75	V	A	0.0000
76	R	A	-1.7305
77	S	A	0.0000
78	C	A	0.0000
79	R	A	-0.8662
80	L	A	-0.6662
81	I	A	0.0000
82	P	A	-0.7275
83	H	A	-0.9744
84	S	A	-0.9282
85	G	A	-0.8379
86	S	A	-1.1561
87	H	A	0.0000
88	R	A	-2.3018
89	I	A	0.0000
90	R	A	-1.7233
91	L	A	0.0000
92	Y	A	0.0000
93	E	A	-2.7027
94	R	A	-4.4095
95	E	A	-4.2001
96	D	A	-3.7681
97	Y	A	-2.6109
98	R	A	-3.3976
99	G	A	-2.7638
100	Q	A	-1.9589
101	M	A	-1.2439
102	I	A	-1.2810
103	E	A	-2.4260
104	F	A	0.0000
105	T	A	-2.2254
106	E	A	-2.7803
107	D	A	-1.9850
108	C	A	-1.6182
109	S	A	-1.2681
110	C	A	-1.1291
111	L	A	0.0000
112	Q	A	-2.5327
113	D	A	-3.3217
114	R	A	-3.3169
115	F	A	0.0000
116	R	A	-2.7177
117	F	A	-1.2205
118	N	A	-1.5420
119	E	A	-2.4927
120	I	A	0.0000
121	H	A	-3.2890
122	S	A	0.0000
123	L	A	0.0000
124	N	A	-1.6560
125	V	A	0.0000
126	L	A	-0.8090
127	E	A	-1.0800
128	G	A	-0.9625
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	-1.1811
135	L	A	-0.5251
136	S	A	-0.8185
137	N	A	-1.5761
138	Y	A	-1.2448
139	R	A	-1.9583
140	G	A	-1.0153
141	R	A	-0.7058
142	Q	A	0.0000
143	Y	A	0.0000
144	L	A	0.0986
145	L	A	0.0000
146	M	A	-0.2846
147	P	A	-0.8070
148	G	A	-1.2650
149	D	A	-2.5936
150	Y	A	-2.7420
151	R	A	-4.1773
152	R	A	-4.0024
153	Y	A	-2.3831
154	Q	A	-2.3609
155	D	A	-2.4631
156	W	A	0.0000
157	G	A	-1.3727
158	A	A	0.0000
159	T	A	-0.9502
160	N	A	-1.5435
161	A	A	0.0000
162	R	A	-1.7259
163	V	A	0.0000
164	G	A	0.0000
165	S	A	0.0000
166	L	A	0.0000
167	R	A	-1.2567
168	R	A	-1.2809
169	V	A	0.0000
170	I	A	0.1371
171	D	A	0.0558
172	F	A	1.1400
173	S	A	0.5092