Project name: 4fd85ec67f0894e

Chain sequence(s)	A: VLFSRGSGQSDDSDIWDDTALIKAYDKAVASFKTALKGEEEDEPEAATSKKNQPGKKRKNNKKNQSRKRANAPPDKEWQVGDSCSAYWSEDGQLYAATISFIDEKRGTCIVVFTGYGNEEEQNLEDLLSEISEGDEETNTKVKETESSTEESDRSTTPNQHKQQPHSKPQKSDDEALSSVLISWYMSGYHTGYYMGLKQGRKE
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                                          (00:02:40)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:41)

• Minimal score value: -4.4219
• Maximal score value: 3.1036
• Average score: -1.5591
• Total score value: -316.5001

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	V	A	3.0625
2	L	A	3.1036
3	F	A	2.5336
4	S	A	0.3951
5	R	A	-1.5749
6	G	A	-1.5900
7	S	A	-1.4724
8	G	A	-1.9300
9	Q	A	-2.4853
10	S	A	-2.3590
11	D	A	-3.5187
12	D	A	-3.5721
13	S	A	-2.1035
14	D	A	-1.6512
15	I	A	1.0112
16	W	A	0.7458
17	D	A	-1.0611
18	D	A	-1.4114
19	T	A	-1.0001
20	A	A	-0.8777
21	L	A	0.6181
22	I	A	0.8718
23	K	A	-0.7886
24	A	A	-0.0929
25	Y	A	0.7865
26	D	A	-1.0784
27	K	A	-1.5226
28	A	A	0.1178
29	V	A	0.8078
30	A	A	0.0854
31	S	A	0.2885
32	F	A	1.5106
33	K	A	-0.1268
34	T	A	-0.3442
35	A	A	0.2277
36	L	A	0.4298
37	K	A	-1.9139
38	G	A	-2.4533
39	E	A	-3.5115
40	E	A	-4.1833
41	E	A	-4.4219
42	D	A	-4.1133
43	E	A	-3.7272
44	P	A	-2.9050
45	E	A	-3.2063
46	A	A	-2.1839
47	A	A	-1.6470
48	T	A	-2.0319
49	S	A	-2.7063
50	K	A	-3.3059
51	K	A	-3.6323
52	N	A	-3.3101
53	Q	A	-2.7321
54	P	A	-2.1198
55	G	A	-2.3310
56	K	A	-3.2593
57	K	A	-3.9654
58	R	A	-4.4069
59	K	A	-4.1492
60	N	A	-3.8021
61	N	A	-3.9706
62	K	A	-4.1201
63	K	A	-4.0285
64	N	A	-3.5717
65	Q	A	-3.4372
66	S	A	-3.1650
67	R	A	-3.8681
68	K	A	-3.9135
69	R	A	-3.5664
70	A	A	-2.2570
71	N	A	-2.3775
72	A	A	-1.4316
73	P	A	-1.6723
74	P	A	-2.4174
75	D	A	-3.1363
76	K	A	-3.5176
77	E	A	-3.4577
78	W	A	0.0000
79	Q	A	-1.0700
80	V	A	1.1750
81	G	A	-0.0180
82	D	A	-0.7157
83	S	A	-0.6898
84	C	A	0.0000
85	S	A	0.0000
86	A	A	0.0000
87	Y	A	-0.3187
88	W	A	-1.4524
89	S	A	-1.8845
90	E	A	-2.9235
91	D	A	-3.1157
92	G	A	-2.0626
93	Q	A	-1.8020
94	L	A	0.1404
95	Y	A	0.6286
96	A	A	0.5043
97	A	A	0.0000
98	T	A	-0.0410
99	I	A	0.0000
100	S	A	0.6304
101	F	A	1.6023
102	I	A	-0.2786
103	D	A	0.0000
104	E	A	-3.2251
105	K	A	-3.4905
106	R	A	-3.4092
107	G	A	-2.7185
108	T	A	-2.2576
109	C	A	0.0000
110	I	A	-0.0180
111	V	A	0.0000
112	V	A	-0.5534
113	F	A	0.0000
114	T	A	-0.2310
115	G	A	0.0163
116	Y	A	0.4686
117	G	A	-0.6348
118	N	A	-1.4452
119	E	A	-2.3473
120	E	A	-1.9483
121	E	A	-2.1176
122	Q	A	-1.9491
123	N	A	-2.4767
124	L	A	-2.4043
125	E	A	-2.8805
126	D	A	-2.3620
127	L	A	0.0000
128	L	A	-0.6925
129	S	A	-0.8584
130	E	A	-1.2469
131	I	A	0.5193
132	S	A	-0.9291
133	E	A	-2.8461
134	G	A	-2.8697
135	D	A	-4.3174
136	E	A	-4.4151
137	E	A	-3.7471
138	T	A	-2.7203
139	N	A	-3.0853
140	T	A	-1.8572
141	K	A	-1.8390
142	V	A	-0.3591
143	K	A	-2.2449
144	E	A	-2.9266
145	T	A	-2.0600
146	E	A	-2.4591
147	S	A	-1.7280
148	S	A	-1.6775
149	T	A	-1.7484
150	E	A	-2.8608
151	E	A	-3.2088
152	S	A	-2.7598
153	D	A	-3.1971
154	R	A	-2.8849
155	S	A	-1.5471
156	T	A	-0.7080
157	T	A	-0.9194
158	P	A	-1.4435
159	N	A	-2.4881
160	Q	A	-3.2507
161	H	A	-3.6549
162	K	A	-3.8978
163	Q	A	-3.0224
164	Q	A	-2.4774
165	P	A	-1.5381
166	H	A	-1.8693
167	S	A	-2.3146
168	K	A	-3.2713
169	P	A	-3.3821
170	Q	A	-3.5524
171	K	A	-3.5214
172	S	A	0.0000
173	D	A	-3.4137
174	D	A	-3.0461
175	E	A	-2.8555
176	A	A	-0.8919
177	L	A	-0.4946
178	S	A	0.0000
179	S	A	0.0638
180	V	A	1.2364
181	L	A	0.8859
182	I	A	1.2790
183	S	A	1.3893
184	W	A	1.7952
185	Y	A	0.0000
186	M	A	0.5899
187	S	A	0.3094
188	G	A	0.2383
189	Y	A	0.2582
190	H	A	0.2151
191	T	A	0.3666
192	G	A	0.2822
193	Y	A	1.0034
194	Y	A	1.1988
195	M	A	0.5367
196	G	A	-0.6330
197	L	A	-0.6461
198	K	A	-2.3205
199	Q	A	-3.0940
200	G	A	-3.1510
201	R	A	-4.0472
202	K	A	-4.2781
203	E	A	-3.8301