Project name: 1-19-test2

Chain sequence(s)	A: MVPILVTLDATVNGHTFTVSGEGEGSAKAGTLTLQFKCTTEELPVPWPTLVTTLTYGVQCFSRYPEEDKAKDFFKKWMPTGYEQTRTIKFDNDGSYKTRATVKFVGDVLKNRILLLGSNFKEDSVIASHALEYSFNSHTVTIYSSEKEDGIKASFTIEHLCKDGKVLTAKHYQQNKPRGDGELNLPEEGTLTTTSTLSKDPRSSEDSMKLTEHVEAS
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                                          (00:03:22)
[INFO]       Main:     Simulation completed successfully.                                          (00:03:23)

• Minimal score value: -4.3863
• Maximal score value: 0.6755
• Average score: -1.0606
• Total score value: -230.1486

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	0.6755
2	V	A	0.2550
3	P	A	-0.6257
4	I	A	0.0000
5	L	A	-0.9748
6	V	A	0.0000
7	T	A	-1.1892
8	L	A	0.0000
9	D	A	-1.0529
10	A	A	0.0000
11	T	A	-0.3656
12	V	A	0.0000
13	N	A	-2.2908
14	G	A	-1.2849
15	H	A	-1.2324
16	T	A	-0.9849
17	F	A	0.0000
18	T	A	-1.0158
19	V	A	0.0000
20	S	A	-1.2262
21	G	A	0.0000
22	E	A	-2.6508
23	G	A	-1.8042
24	E	A	-1.3398
25	G	A	0.0000
26	S	A	-0.5263
27	A	A	-1.0398
28	K	A	-1.7585
29	A	A	-1.0767
30	G	A	0.0000
31	T	A	-0.8071
32	L	A	0.0000
33	T	A	-1.1540
34	L	A	0.0000
35	Q	A	-2.6486
36	F	A	0.0000
37	K	A	-2.2635
38	C	A	0.0000
39	T	A	-1.3754
40	T	A	-1.6008
41	E	A	-3.0805
42	E	A	-3.2738
43	L	A	0.0000
44	P	A	-1.2322
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	-2.1287
64	Y	A	-2.2890
65	P	A	-2.6322
66	E	A	-3.4416
67	E	A	-3.4519
68	D	A	-3.0958
69	K	A	-3.4769
70	A	A	-2.3980
71	K	A	-2.5517
72	D	A	0.0000
73	F	A	0.0000
74	F	A	0.0000
75	K	A	-1.7184
76	K	A	-2.3571
77	W	A	0.0000
78	M	A	-0.8985
79	P	A	-0.6696
80	T	A	-0.8025
81	G	A	0.0000
82	Y	A	0.0000
83	E	A	-1.4967
84	Q	A	0.0000
85	T	A	-1.2160
86	R	A	0.0000
87	T	A	-0.8743
88	I	A	0.0000
89	K	A	-2.2556
90	F	A	0.0000
91	D	A	-2.8673
92	N	A	-2.6693
93	D	A	-2.7763
94	G	A	0.0000
95	S	A	-1.5411
96	Y	A	0.0000
97	K	A	-1.5145
98	T	A	0.0000
99	R	A	-2.1133
100	A	A	0.0000
101	T	A	-1.4032
102	V	A	0.0000
103	K	A	-0.5947
104	F	A	0.2240
105	V	A	0.5866
106	G	A	-0.6156
107	D	A	-1.3408
108	V	A	-0.1907
109	L	A	0.0000
110	K	A	-0.8429
111	N	A	0.0000
112	R	A	-2.2755
113	I	A	0.0000
114	L	A	-0.5622
115	L	A	0.0000
116	L	A	0.3569
117	G	A	0.0000
118	S	A	-1.4739
119	N	A	-2.3864
120	F	A	0.0000
121	K	A	-3.8557
122	E	A	-3.8043
123	D	A	-3.2604
124	S	A	0.0000
125	V	A	-0.7947
126	I	A	0.0000
127	A	A	-1.6803
128	S	A	-1.4099
129	H	A	-1.3366
130	A	A	-1.4951
131	L	A	0.0000
132	E	A	-2.1417
133	Y	A	-0.8372
134	S	A	-0.3416
135	F	A	-0.4819
136	N	A	-0.8570
137	S	A	-0.7706
138	H	A	-0.5844
139	T	A	-0.3244
140	V	A	0.0000
141	T	A	-0.5326
142	I	A	0.0000
143	Y	A	-1.1924
144	S	A	-2.2508
145	S	A	0.0000
146	E	A	-3.9343
147	K	A	-3.9743
148	E	A	-4.3863
149	D	A	-4.1534
150	G	A	0.0000
151	I	A	0.0000
152	K	A	-1.4948
153	A	A	0.0000
154	S	A	-0.1220
155	F	A	0.0000
156	T	A	-0.8438
157	I	A	0.0000
158	E	A	-1.4351
159	H	A	0.0000
160	L	A	-1.1919
161	C	A	0.0000
162	K	A	-3.2662
163	D	A	-3.2171
164	G	A	-2.4867
165	K	A	-2.2831
166	V	A	-0.8323
167	L	A	0.0000
168	T	A	-1.5721
169	A	A	0.0000
170	K	A	-1.7361
171	H	A	0.0000
172	Y	A	0.2186
173	Q	A	0.0000
174	Q	A	-1.2544
175	N	A	0.0000
176	K	A	-2.1795
177	P	A	-1.9502
178	R	A	-2.0247
179	G	A	-2.0105
180	D	A	-2.6404
181	G	A	-2.4481
182	E	A	-2.5595
183	L	A	-2.3282
184	N	A	-2.4613
185	L	A	-1.8605
186	P	A	0.0000
187	E	A	-2.8914
188	E	A	-2.7608
189	G	A	-1.5698
190	T	A	-0.6482
191	L	A	0.0000
192	T	A	-0.6647
193	T	A	0.0000
194	T	A	-0.5769
195	S	A	0.0000
196	T	A	-0.2295
197	L	A	-0.5205
198	S	A	-1.3595
199	K	A	-2.9766
200	D	A	-2.8432
201	P	A	-2.1698
202	R	A	-2.7019
203	S	A	-2.3196
204	S	A	-1.9987
205	E	A	-3.4196
206	D	A	-2.9945
207	S	A	-2.4594
208	M	A	0.0000
209	K	A	-2.0358
210	L	A	0.0000
211	T	A	-0.5589
212	E	A	0.0000
213	H	A	-0.8387
214	V	A	0.0000
215	E	A	-1.4351
216	A	A	0.0000
217	S	A	-1.0963