Project name: de11a4925794580

Chain sequence(s)	A: IRTFLFQPSVIPSGSMIPTLLVGDYIIVNKFSYGYSKYSFPFSYNLFNGRIFNNQPRRGDVVVFRYPKDPSIDYVKRVIGLPGDRISLEKGIIYINGAPVVRHMEGYFSYHYKEDWSSNVPIFQEKLSNGVLYNVLSQDFLAPSSNISEFLVPKGHYFMMGDNRDKSKDSRWVEVGFVPEENLVGRASYTQYSIGGDTPFSKVWLWIPNMRWDRLFKIL
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                                          (00:03:25)
[INFO]       Main:     Simulation completed successfully.                                          (00:03:26)

• Minimal score value: -2.8936
• Maximal score value: 2.9942
• Average score: -0.1533
• Total score value: -33.5777

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	I	A	1.5631
2	R	A	-0.4683
3	T	A	0.1636
4	F	A	1.3191
5	L	A	1.1103
6	F	A	0.5011
7	Q	A	-0.5325
8	P	A	-0.4229
9	S	A	-0.1320
10	V	A	0.5320
11	I	A	0.0000
12	P	A	-0.1480
13	S	A	-0.5052
14	G	A	0.0000
15	S	A	-0.6415
16	M	A	0.0000
17	I	A	0.0000
18	P	A	0.0089
19	T	A	0.1459
20	L	A	0.0000
21	L	A	0.2546
22	V	A	-0.0744
23	G	A	0.1652
24	D	A	0.0000
25	Y	A	0.5550
26	I	A	0.0000
27	I	A	0.0000
28	V	A	0.0000
29	N	A	0.2688
30	K	A	0.0000
31	F	A	1.5212
32	S	A	0.2355
33	Y	A	0.0000
34	G	A	0.0000
35	Y	A	0.0000
36	S	A	0.0000
37	K	A	-0.2335
38	Y	A	-0.0548
39	S	A	0.0000
40	F	A	1.0211
41	P	A	1.1189
42	F	A	2.0309
43	S	A	1.2066
44	Y	A	1.6618
45	N	A	0.0462
46	L	A	1.1772
47	F	A	0.3122
48	N	A	-1.2699
49	G	A	-1.2921
50	R	A	-0.5888
51	I	A	0.8864
52	F	A	1.6801
53	N	A	-0.6336
54	N	A	-1.1033
55	Q	A	-1.8054
56	P	A	0.0000
57	R	A	-2.3534
58	R	A	-1.4571
59	G	A	0.0000
60	D	A	-0.9770
61	V	A	0.0000
62	V	A	0.0000
63	V	A	0.0000
64	F	A	0.0000
65	R	A	-1.1590
66	Y	A	0.0000
67	P	A	-1.3910
68	K	A	-2.1581
69	D	A	-1.5722
70	P	A	-0.9579
71	S	A	-0.3542
72	I	A	-0.2716
73	D	A	-1.3715
74	Y	A	-0.5761
75	V	A	-0.2546
76	K	A	0.0000
77	R	A	0.0000
78	V	A	0.0000
79	I	A	0.0000
80	G	A	0.0000
81	L	A	-0.7524
82	P	A	-0.9772
83	G	A	-1.0708
84	D	A	0.0000
85	R	A	-2.1908
86	I	A	0.0000
87	S	A	-1.5251
88	L	A	0.0000
89	E	A	-2.2039
90	K	A	-1.5464
91	G	A	0.0000
92	I	A	-0.1847
93	I	A	0.0000
94	Y	A	-0.6997
95	I	A	0.0000
96	N	A	-2.1754
97	G	A	-1.5940
98	A	A	-0.5646
99	P	A	-0.1995
100	V	A	0.0000
101	V	A	0.9669
102	R	A	-0.4046
103	H	A	-1.2662
104	M	A	-0.6573
105	E	A	-1.5967
106	G	A	-0.3176
107	Y	A	0.7780
108	F	A	0.3580
109	S	A	-0.1772
110	Y	A	0.0000
111	H	A	-1.4529
112	Y	A	0.0000
113	K	A	-2.8936
114	E	A	-2.8318
115	D	A	-1.6053
116	W	A	-0.3059
117	S	A	-0.1241
118	S	A	-0.4783
119	N	A	-0.8557
120	V	A	-0.3243
121	P	A	0.0000
122	I	A	-0.2770
123	F	A	0.0000
124	Q	A	-0.9297
125	E	A	0.0000
126	K	A	-0.8378
127	L	A	0.0000
128	S	A	-0.8431
129	N	A	-1.7672
130	G	A	-0.9394
131	V	A	-0.1606
132	L	A	0.5992
133	Y	A	0.0000
134	N	A	-0.7523
135	V	A	0.0000
136	L	A	0.0000
137	S	A	0.0000
138	Q	A	-1.8463
139	D	A	-1.6044
140	F	A	-0.6894
141	L	A	0.5108
142	A	A	-0.2241
143	P	A	-0.4190
144	S	A	-0.7118
145	S	A	0.0000
146	N	A	-1.3511
147	I	A	-1.1205
148	S	A	-1.5165
149	E	A	-2.2446
150	F	A	-0.5437
151	L	A	0.1113
152	V	A	0.0000
153	P	A	-0.7564
154	K	A	-1.8366
155	G	A	-1.4281
156	H	A	-1.0216
157	Y	A	0.0000
158	F	A	0.0000
159	M	A	0.0000
160	M	A	0.0000
161	G	A	0.0000
162	D	A	0.0000
163	N	A	0.0000
164	R	A	0.0000
165	D	A	-2.2110
166	K	A	-1.7148
167	S	A	0.0000
168	K	A	-1.1639
169	D	A	0.0000
170	S	A	0.0000
171	R	A	0.2505
172	W	A	0.9707
173	V	A	1.5911
174	E	A	-0.3805
175	V	A	0.0000
176	G	A	0.3848
177	F	A	0.5444
178	V	A	0.0000
179	P	A	-0.8869
180	E	A	-1.5895
181	E	A	-1.7443
182	N	A	0.0000
183	L	A	0.0000
184	V	A	0.0000
185	G	A	0.0000
186	R	A	-0.5088
187	A	A	0.0000
188	S	A	0.6219
189	Y	A	1.4704
190	T	A	0.0000
191	Q	A	0.6944
192	Y	A	0.6528
193	S	A	0.0000
194	I	A	0.0000
195	G	A	0.0000
196	G	A	-1.2081
197	D	A	-1.3683
198	T	A	0.0000
199	P	A	0.6608
200	F	A	2.1373
201	S	A	1.1235
202	K	A	1.2133
203	V	A	2.9942
204	W	A	2.6824
205	L	A	2.1224
206	W	A	2.3106
207	I	A	2.7485
208	P	A	0.8898
209	N	A	0.4249
210	M	A	0.7463
211	R	A	0.0637
212	W	A	0.7988
213	D	A	-0.9572
214	R	A	0.0000
215	L	A	1.3188
216	F	A	2.2649
217	K	A	1.2772
218	I	A	2.4955
219	L	A	1.4489