Project name: 3-41

Chain sequence(s)	A: AVPILVTLDATVNGHTFSVSGEGEGSAEAGTLTLQFKCTTEELPVPWPTLVTTLTYGVQCFSRYPEEDKEKDFFKKWMPTGYEQTRTITFDDDGSYKTRATVKFVGDVLKNRILLLGSNFKEDSVIASHALEYSFNSHTVTIESSEEKDGIKASFTIKHLCKDGKVLTATHYQQNKPRGDGPLHLPDEGTLTTTSTLSKDPSSSEDTMVLTEHVTAS
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                                          (00:02:52)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:53)

• Minimal score value: -4.2483
• Maximal score value: 1.014
• Average score: -0.9878
• Total score value: -214.3421

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	A	A	-0.4172
2	V	A	-0.3061
3	P	A	-1.0000
4	I	A	0.0000
5	L	A	-0.9046
6	V	A	0.0000
7	T	A	-1.2285
8	L	A	0.0000
9	D	A	-1.3414
10	A	A	0.0000
11	T	A	-0.6005
12	V	A	0.0000
13	N	A	-2.3579
14	G	A	-1.3431
15	H	A	-1.2247
16	T	A	-1.1117
17	F	A	0.0000
18	S	A	-1.1376
19	V	A	0.0000
20	S	A	-1.2151
21	G	A	0.0000
22	E	A	-2.4308
23	G	A	-1.7650
24	E	A	-1.8057
25	G	A	0.0000
26	S	A	-1.0605
27	A	A	-1.2814
28	E	A	-2.0788
29	A	A	-1.2383
30	G	A	0.0000
31	T	A	-1.0967
32	L	A	0.0000
33	T	A	-1.0515
34	L	A	0.0000
35	Q	A	-1.6725
36	F	A	0.0000
37	K	A	-1.8731
38	C	A	0.0000
39	T	A	-1.4845
40	T	A	-1.7292
41	E	A	-3.0540
42	E	A	-3.2145
43	L	A	0.0000
44	P	A	-1.1737
45	V	A	0.0000
46	P	A	0.0000
47	W	A	0.0000
48	P	A	0.0000
49	T	A	0.0000
50	L	A	0.0000
51	V	A	0.0000
52	T	A	0.0000
53	T	A	0.0000
54	L	A	0.0000
55	T	A	0.0000
56	Y	A	0.0000
57	G	A	0.0000
58	V	A	0.0000
59	Q	A	0.0000
60	C	A	0.0000
61	F	A	0.0000
62	S	A	0.0000
63	R	A	-2.1113
64	Y	A	-2.3211
65	P	A	-2.6531
66	E	A	-3.6811
67	E	A	-3.6770
68	D	A	-3.4741
69	K	A	-4.2483
70	E	A	-4.0315
71	K	A	-3.0637
72	D	A	0.0000
73	F	A	0.0000
74	F	A	0.0000
75	K	A	-1.8730
76	K	A	-2.6551
77	W	A	0.0000
78	M	A	-0.8916
79	P	A	-0.5947
80	T	A	-0.7475
81	G	A	0.0000
82	Y	A	0.0000
83	E	A	-2.4419
84	Q	A	0.0000
85	T	A	-1.3034
86	R	A	0.0000
87	T	A	-0.6207
88	I	A	0.0000
89	T	A	-0.9520
90	F	A	0.0000
91	D	A	-2.6274
92	D	A	-2.9854
93	D	A	-2.7229
94	G	A	0.0000
95	S	A	-1.3053
96	Y	A	0.0000
97	K	A	-1.5949
98	T	A	0.0000
99	R	A	-2.2509
100	A	A	0.0000
101	T	A	-1.8218
102	V	A	0.0000
103	K	A	-0.6305
104	F	A	0.3768
105	V	A	1.0140
106	G	A	-0.4384
107	D	A	-1.2968
108	V	A	-0.2334
109	L	A	0.0000
110	K	A	-0.9239
111	N	A	0.0000
112	R	A	-2.4079
113	I	A	0.0000
114	L	A	-0.3693
115	L	A	0.0000
116	L	A	-0.3328
117	G	A	0.0000
118	S	A	-1.6325
119	N	A	-2.3162
120	F	A	0.0000
121	K	A	-3.6154
122	E	A	-3.6689
123	D	A	-3.1466
124	S	A	-2.1339
125	V	A	-0.6949
126	I	A	0.0000
127	A	A	-1.5796
128	S	A	-1.2739
129	H	A	-1.0068
130	A	A	-1.3029
131	L	A	0.0000
132	E	A	-1.6972
133	Y	A	-0.5528
134	S	A	-0.2459
135	F	A	-0.4147
136	N	A	-0.9099
137	S	A	-0.7969
138	H	A	0.0000
139	T	A	-0.1722
140	V	A	0.0000
141	T	A	-0.8194
142	I	A	0.0000
143	E	A	-2.5222
144	S	A	-2.6553
145	S	A	0.0000
146	E	A	-3.7822
147	E	A	-3.6433
148	K	A	-3.4167
149	D	A	-3.5987
150	G	A	0.0000
151	I	A	0.0000
152	K	A	-1.2646
153	A	A	0.0000
154	S	A	-0.1531
155	F	A	0.0000
156	T	A	-0.2404
157	I	A	0.0000
158	K	A	-0.8391
159	H	A	0.0000
160	L	A	-0.8963
161	C	A	0.0000
162	K	A	-3.1288
163	D	A	-3.2494
164	G	A	-2.4232
165	K	A	-2.1158
166	V	A	-0.3792
167	L	A	0.0000
168	T	A	-0.9900
169	A	A	0.0000
170	T	A	-0.3886
171	H	A	0.0000
172	Y	A	0.4351
173	Q	A	0.0000
174	Q	A	-1.1713
175	N	A	0.0000
176	K	A	-2.0709
177	P	A	-2.0405
178	R	A	-2.1321
179	G	A	-1.7230
180	D	A	-2.2940
181	G	A	-1.5826
182	P	A	-0.8329
183	L	A	-1.1284
184	H	A	-1.8026
185	L	A	-1.7189
186	P	A	0.0000
187	D	A	-3.2652
188	E	A	-3.1584
189	G	A	-1.7790
190	T	A	-0.6606
191	L	A	0.0000
192	T	A	-0.4217
193	T	A	0.0000
194	T	A	-0.6230
195	S	A	0.0000
196	T	A	-0.1751
197	L	A	-0.0602
198	S	A	-0.6832
199	K	A	-1.7118
200	D	A	-1.5067
201	P	A	-1.1254
202	S	A	-0.9165
203	S	A	-1.4042
204	S	A	-1.3587
205	E	A	-3.0712
206	D	A	-2.6083
207	T	A	0.0000
208	M	A	0.0000
209	V	A	-0.6857
210	L	A	0.0000
211	T	A	-0.4423
212	E	A	0.0000
213	H	A	-1.1677
214	V	A	0.0000
215	T	A	-0.8588
216	A	A	0.0000
217	S	A	-0.8383