Project name: Feb

Chain sequence(s)	A: KNTMEHVSSSEESIISQETYKQEKNMDINPSKENLCSTFCKEVVRNANEEEYSIGSSSEESAEVATEEVKITVDDKHYQKALNEINQFYRKFPQYLQYLYQGPIVLNPWDQVKRNAVPITPTLNREQLSTSEENSKKTVDMESTEVFTKKTKLTEEEKNRLNFLKKISQRYQKFALPQYLKTVYQHQKAMKPWIQPKTKVIPYVRYL
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                                          (00:04:30)
[INFO]       Main:     Simulation completed successfully.                                          (00:04:32)

• Minimal score value: -4.3043
• Maximal score value: 2.8938
• Average score: -0.8609
• Total score value: -178.2007

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	K	A	-2.2281
2	N	A	-2.0861
3	T	A	-1.2631
4	M	A	-0.4300
5	E	A	-1.5582
6	H	A	-0.8641
7	V	A	0.7743
8	S	A	-0.1872
9	S	A	-0.8093
10	S	A	-1.6505
11	E	A	-2.7288
12	E	A	-2.1793
13	S	A	-0.2426
14	I	A	2.0361
15	I	A	1.9133
16	S	A	0.0751
17	Q	A	-0.9792
18	E	A	-2.0423
19	T	A	-1.3451
20	Y	A	-0.7770
21	K	A	-2.7132
22	Q	A	-3.2273
23	E	A	-3.7069
24	K	A	-3.7100
25	N	A	-2.3653
26	M	A	-0.6602
27	D	A	-1.2189
28	I	A	0.5656
29	N	A	-1.0627
30	P	A	-1.5759
31	S	A	-1.8876
32	K	A	-3.0896
33	E	A	-2.8427
34	N	A	-1.7607
35	L	A	0.6351
36	C	A	0.8548
37	S	A	-0.0416
38	T	A	0.4224
39	F	A	1.6889
40	C	A	0.9879
41	K	A	-0.8734
42	E	A	-1.0610
43	V	A	1.0916
44	V	A	0.7238
45	R	A	-1.5758
46	N	A	-1.9323
47	A	A	-1.5623
48	N	A	-3.1034
49	E	A	-4.0023
50	E	A	-3.8040
51	E	A	-2.3828
52	Y	A	0.0874
53	S	A	0.4764
54	I	A	1.6821
55	G	A	0.4500
56	S	A	-0.0575
57	S	A	-0.9315
58	S	A	-1.7989
59	E	A	-2.9247
60	E	A	-2.8977
61	S	A	-1.9016
62	A	A	-0.9099
63	E	A	-0.9654
64	V	A	0.6770
65	A	A	-0.2893
66	T	A	-0.9713
67	E	A	-2.2583
68	E	A	-2.0770
69	V	A	0.0950
70	K	A	-0.8781
71	I	A	0.7903
72	T	A	-0.0040
73	V	A	0.0878
74	D	A	-2.0348
75	D	A	-2.4871
76	K	A	-2.8798
77	H	A	-2.7719
78	Y	A	-1.7682
79	Q	A	-3.2308
80	K	A	-3.5200
81	A	A	-2.1057
82	L	A	-1.4473
83	N	A	-2.5335
84	E	A	-2.3820
85	I	A	-0.4569
86	N	A	-1.2818
87	Q	A	-1.6724
88	F	A	0.5886
89	Y	A	0.4068
90	R	A	-1.8074
91	K	A	-1.3349
92	F	A	0.5534
93	P	A	0.0303
94	Q	A	0.0197
95	Y	A	1.3911
96	L	A	1.2032
97	Q	A	0.7325
98	Y	A	1.7979
99	L	A	2.0665
100	Y	A	1.8661
101	Q	A	0.7137
102	G	A	1.2756
103	P	A	1.6021
104	I	A	2.8591
105	V	A	2.6052
106	L	A	1.9414
107	N	A	0.2585
108	P	A	-0.0120
109	W	A	0.2720
110	D	A	-0.7354
111	Q	A	-0.7724
112	V	A	0.1427
113	K	A	-2.0127
114	R	A	-2.3471
115	N	A	-1.2211
116	A	A	-0.1525
117	V	A	1.4054
118	P	A	1.3431
119	I	A	2.2689
120	T	A	1.2966
121	P	A	0.4615
122	T	A	-0.0233
123	L	A	-0.0120
124	N	A	-2.1946
125	R	A	-2.7758
126	E	A	-3.1177
127	Q	A	-2.0694
128	L	A	-0.2381
129	S	A	-0.9292
130	T	A	-0.9525
131	S	A	-1.6027
132	E	A	-3.2617
133	E	A	-3.7168
134	N	A	-3.1608
135	S	A	-2.7470
136	K	A	-2.9782
137	K	A	-2.3477
138	T	A	-0.8523
139	V	A	0.2037
140	D	A	-0.9552
141	M	A	-0.4230
142	E	A	-1.8539
143	S	A	-1.2768
144	T	A	-0.6228
145	E	A	-0.6503
146	V	A	1.4869
147	F	A	1.2948
148	T	A	-0.2296
149	K	A	-1.9364
150	K	A	-2.7130
151	T	A	-2.1561
152	K	A	-2.6942
153	L	A	-1.9768
154	T	A	-2.6583
155	E	A	-4.0132
156	E	A	-4.3043
157	E	A	-3.6380
158	K	A	-3.7087
159	N	A	-3.6887
160	R	A	-3.1708
161	L	A	-1.6495
162	N	A	-1.7264
163	F	A	0.1424
164	L	A	-0.0686
165	K	A	-1.7851
166	K	A	-1.6177
167	I	A	-0.5331
168	S	A	-1.3418
169	Q	A	-2.4251
170	R	A	-2.2246
171	Y	A	-0.4145
172	Q	A	-1.6111
173	K	A	-1.6090
174	F	A	0.8235
175	A	A	0.4458
176	L	A	0.7029
177	P	A	0.3461
178	Q	A	-0.7038
179	Y	A	0.5574
180	L	A	0.3027
181	K	A	-1.4030
182	T	A	-0.9834
183	V	A	-0.3524
184	Y	A	-0.6805
185	Q	A	-2.0328
186	H	A	-2.0624
187	Q	A	-2.4626
188	K	A	-2.7256
189	A	A	-1.5840
190	M	A	-0.8591
191	K	A	-1.3454
192	P	A	-0.2813
193	W	A	1.3344
194	I	A	1.1894
195	Q	A	-0.7461
196	P	A	-1.2391
197	K	A	-2.1443
198	T	A	-1.2806
199	K	A	-0.8536
200	V	A	1.7962
201	I	A	2.8938
202	P	A	1.9256
203	Y	A	2.4427
204	V	A	2.3184
205	R	A	0.4152
206	Y	A	1.8026
207	L	A	1.9181