Project name: 29d112ab9c5ed74

Chain sequence(s)	A: MKITKDILITGTGCTTDRAIKWLDDVQAAMDKFHIESPRAIAAYLANIGVESGGLVSLVENLNYSAQGLANTWPRRYAVDPRVRPYVPNALAKRLARNPVAIANNVYADRMGNGCEQDGDGWKYRGRGLIQLTGKSNYSLFAEDSGMDVLEKPELLETPAGASMSSAWFFWRNRCIPMAESNNFSMVVKTINGAAPNDANHGQLRINRYMKTIAAINQGS
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                                          (00:01:14)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:15)

• Minimal score value: -3.1228
• Maximal score value: 1.5459
• Average score: -0.853
• Total score value: -187.6498

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	M	A	0.2443
2	K	A	-1.3773
3	I	A	-1.2316
4	T	A	-1.5113
5	K	A	-2.1312
6	D	A	-1.6823
7	I	A	-1.0121
8	L	A	0.0000
9	I	A	-0.6829
10	T	A	-0.7909
11	G	A	0.0000
12	T	A	0.0000
13	G	A	-0.6311
14	C	A	-0.1976
15	T	A	-0.6457
16	T	A	-1.1549
17	D	A	-1.6883
18	R	A	-1.6762
19	A	A	0.0000
20	I	A	-0.5588
21	K	A	-2.1370
22	W	A	0.0000
23	L	A	0.0000
24	D	A	-2.1093
25	D	A	0.0000
26	V	A	0.0000
27	Q	A	-1.9031
28	A	A	-1.5534
29	A	A	0.0000
30	M	A	0.0000
31	D	A	-2.8286
32	K	A	-2.2228
33	F	A	0.0000
34	H	A	-2.2589
35	I	A	0.0000
36	E	A	-2.7680
37	S	A	-1.5008
38	P	A	-1.4535
39	R	A	-1.7347
40	A	A	0.0000
41	I	A	0.0000
42	A	A	0.0000
43	A	A	0.0000
44	Y	A	0.0000
45	L	A	0.0000
46	A	A	0.0000
47	N	A	0.0000
48	I	A	0.0000
49	G	A	0.0000
50	V	A	-0.0531
51	E	A	-0.3421
52	S	A	0.0000
53	G	A	0.0797
54	G	A	0.0924
55	L	A	0.5941
56	V	A	1.5459
57	S	A	0.6987
58	L	A	0.4940
59	V	A	0.3336
60	E	A	-0.5431
61	N	A	-1.1335
62	L	A	0.0000
63	N	A	-1.5976
64	Y	A	-0.8268
65	S	A	-1.3206
66	A	A	-1.8107
67	Q	A	-1.9168
68	G	A	-1.2968
69	L	A	0.0000
70	A	A	-1.2487
71	N	A	-1.9826
72	T	A	-1.1661
73	W	A	-0.7395
74	P	A	-1.3020
75	R	A	-2.0377
76	R	A	-2.0381
77	Y	A	-1.0993
78	A	A	0.0000
79	V	A	0.3032
80	D	A	-0.5804
81	P	A	-1.2922
82	R	A	-2.1504
83	V	A	0.0000
84	R	A	-2.6076
85	P	A	-1.7578
86	Y	A	-0.9927
87	V	A	0.0000
88	P	A	-1.2198
89	N	A	-1.5639
90	A	A	-0.2520
91	L	A	0.4906
92	A	A	-0.8337
93	K	A	-2.0945
94	R	A	-2.4852
95	L	A	-1.1090
96	A	A	-1.2852
97	R	A	-1.8421
98	N	A	-1.1745
99	P	A	0.0000
100	V	A	-0.7998
101	A	A	-0.9755
102	I	A	0.0000
103	A	A	0.0000
104	N	A	-1.2385
105	N	A	-1.3928
106	V	A	0.0000
107	Y	A	-0.4526
108	A	A	-1.8257
109	D	A	-2.4035
110	R	A	-0.9874
111	M	A	0.2972
112	G	A	-0.6714
113	N	A	0.0000
114	G	A	-1.7351
115	C	A	-2.1564
116	E	A	-3.1188
117	Q	A	-2.9179
118	D	A	-2.7806
119	G	A	-1.5699
120	D	A	0.0000
121	G	A	0.0000
122	W	A	-0.2523
123	K	A	-1.0998
124	Y	A	0.0000
125	R	A	0.0000
126	G	A	0.0000
127	R	A	0.0000
128	G	A	0.0000
129	L	A	0.0000
130	I	A	0.0000
131	Q	A	-0.8015
132	L	A	0.0000
133	T	A	-0.3622
134	G	A	0.0000
135	K	A	-1.1226
136	S	A	-0.6353
137	N	A	-0.9962
138	Y	A	0.0000
139	S	A	-0.9495
140	L	A	-0.3179
141	F	A	0.0000
142	A	A	-1.7482
143	E	A	-2.2038
144	D	A	-1.2780
145	S	A	-1.0016
146	G	A	-1.3636
147	M	A	-1.4621
148	D	A	-2.5142
149	V	A	0.0000
150	L	A	-1.7468
151	E	A	-2.8528
152	K	A	-2.7991
153	P	A	0.0000
154	E	A	-2.1276
155	L	A	-1.1135
156	L	A	0.0000
157	E	A	-0.8556
158	T	A	-0.4157
159	P	A	-0.4830
160	A	A	-0.4040
161	G	A	0.0000
162	A	A	0.0000
163	S	A	0.0000
164	M	A	-0.1188
165	S	A	0.0000
166	S	A	0.0000
167	A	A	0.0000
168	W	A	-0.2093
169	F	A	0.0132
170	F	A	0.0000
171	W	A	-0.4996
172	R	A	-1.4616
173	N	A	-1.2088
174	R	A	-1.9540
175	C	A	0.0000
176	I	A	-1.1833
177	P	A	-0.8584
178	M	A	-0.6702
179	A	A	-1.1549
180	E	A	-1.7909
181	S	A	0.0000
182	N	A	-1.9351
183	N	A	-1.5821
184	F	A	0.0000
185	S	A	-0.9462
186	M	A	-1.0719
187	V	A	0.0000
188	V	A	0.0000
189	K	A	-1.9211
190	T	A	-1.3012
191	I	A	-0.8470
192	N	A	-1.2678
193	G	A	-1.2542
194	A	A	-1.1485
195	A	A	-1.5447
196	P	A	0.0000
197	N	A	-2.5357
198	D	A	-3.1228
199	A	A	-2.0616
200	N	A	-2.3033
201	H	A	-1.8493
202	G	A	-1.4571
203	Q	A	-1.2356
204	L	A	-0.1004
205	R	A	0.0000
206	I	A	0.0105
207	N	A	-0.9288
208	R	A	-0.7103
209	Y	A	0.0000
210	M	A	-0.1330
211	K	A	-1.3051
212	T	A	0.0000
213	I	A	-0.6510
214	A	A	-0.6181
215	A	A	-0.8163
216	I	A	0.0000
217	N	A	-1.7385
218	Q	A	-1.8004
219	G	A	-1.2604
220	S	A	-1.2187