Project name: RP19-TPA

Chain sequence(s)	A: MDAMKRGLCCVLLLCGAVFVSPSQEIHARRLARRGGVKRISALIYEETRGVLKVDVFLKDLEPPIVVRFVRLIPVTDHSNAVMLSENRSLFFLRDIVEFRCHPGSLFGSSRVQYVVNPAVKIVFLNIDPSDFPNWHTAYYFKQYFHFRDDLEVQTPSSYIETLPKAIKRRINALKQLQVYPYDVPDYA
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                                          (00:02:57)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:59)

• Minimal score value: -3.4049
• Maximal score value: 3.561
• Average score: -0.1792
• Total score value: -33.6927

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	0.2249
2	D	A	-1.5777
3	A	A	-0.9633
4	M	A	-0.4724
5	K	A	-2.1900
6	R	A	-2.2778
7	G	A	-0.5612
8	L	A	1.3941
9	C	A	2.0717
10	C	A	2.8613
11	V	A	3.2893
12	L	A	3.2780
13	L	A	3.4163
14	L	A	2.8655
15	C	A	1.9683
16	G	A	1.3467
17	A	A	2.0053
18	V	A	3.4025
19	F	A	3.2372
20	V	A	1.3388
21	S	A	0.0376
22	P	A	-0.6256
23	S	A	-1.0483
24	Q	A	-1.6134
25	E	A	-2.2701
26	I	A	-0.5857
27	H	A	-1.8262
28	A	A	-1.6078
29	R	A	-2.9865
30	R	A	-3.4000
31	L	A	-1.8771
32	A	A	-2.6011
33	R	A	-3.4049
34	R	A	-2.9542
35	G	A	-1.8141
36	G	A	-1.0062
37	V	A	-0.2664
38	K	A	-2.0578
39	R	A	-2.3574
40	I	A	-0.6519
41	S	A	-0.6741
42	A	A	0.7830
43	L	A	1.9348
44	I	A	1.9997
45	Y	A	0.9428
46	E	A	-1.5462
47	E	A	-2.6384
48	T	A	-2.0612
49	R	A	-2.4519
50	G	A	-1.4760
51	V	A	-0.8037
52	L	A	-0.4788
53	K	A	-0.8884
54	V	A	0.2462
55	D	A	0.5402
56	V	A	1.3298
57	F	A	1.0389
58	L	A	-0.5401
59	K	A	-2.3198
60	D	A	-3.0362
61	L	A	-1.4977
62	E	A	-2.2833
63	P	A	-1.3563
64	P	A	-0.5692
65	I	A	1.1221
66	V	A	1.3877
67	V	A	1.5858
68	R	A	-0.5540
69	F	A	0.3016
70	V	A	0.7248
71	R	A	-0.2905
72	L	A	1.4364
73	I	A	1.1773
74	P	A	0.4790
75	V	A	0.5081
76	T	A	-0.1329
77	D	A	0.0000
78	H	A	-0.3512
79	S	A	-0.7447
80	N	A	-0.7728
81	A	A	-0.4724
82	V	A	0.5374
83	M	A	0.0924
84	L	A	0.2660
85	S	A	-0.7855
86	E	A	-2.4011
87	N	A	-2.1377
88	R	A	-1.4421
89	S	A	-0.2697
90	L	A	1.7947
91	F	A	1.7268
92	F	A	2.6967
93	L	A	1.7921
94	R	A	-0.1406
95	D	A	0.9028
96	I	A	1.3476
97	V	A	0.0000
98	E	A	-0.3950
99	F	A	0.0000
100	R	A	-1.3156
101	C	A	0.0000
102	H	A	-1.2126
103	P	A	-0.8258
104	G	A	-0.4665
105	S	A	0.1351
106	L	A	1.4938
107	F	A	0.7773
108	G	A	-0.2738
109	S	A	-1.0285
110	S	A	-1.2642
111	R	A	-2.2358
112	V	A	-1.3271
113	Q	A	-0.8859
114	Y	A	0.5561
115	V	A	1.2759
116	V	A	0.9564
117	N	A	-0.1451
118	P	A	0.0003
119	A	A	-0.0405
120	V	A	0.4709
121	K	A	-0.0022
122	I	A	2.0180
123	V	A	3.1839
124	F	A	3.5610
125	L	A	2.5977
126	N	A	0.2320
127	I	A	0.0253
128	D	A	-1.8485
129	P	A	-1.1323
130	S	A	-1.2327
131	D	A	-1.6330
132	F	A	0.3870
133	P	A	-0.3521
134	N	A	-0.8011
135	W	A	0.4467
136	H	A	-0.3499
137	T	A	0.8789
138	A	A	1.2880
139	Y	A	1.8231
140	Y	A	2.0328
141	F	A	2.4191
142	K	A	-0.0304
143	Q	A	0.0596
144	Y	A	1.9952
145	F	A	2.1234
146	H	A	0.0847
147	F	A	0.6529
148	R	A	-2.2538
149	D	A	-3.1437
150	D	A	-2.6246
151	L	A	-0.7361
152	E	A	-1.6105
153	V	A	0.4234
154	Q	A	-0.8614
155	T	A	-0.1636
156	P	A	-0.2540
157	S	A	-0.4958
158	S	A	-0.2141
159	Y	A	0.7422
160	I	A	0.0818
161	E	A	-1.5987
162	T	A	-0.6268
163	L	A	-0.2372
164	P	A	-1.1119
165	K	A	-2.4201
166	A	A	-1.3182
167	I	A	-0.6299
168	K	A	-2.1600
169	R	A	-3.2291
170	R	A	-2.8460
171	I	A	-1.4135
172	N	A	-2.3860
173	A	A	-1.7597
174	L	A	-0.9002
175	K	A	-2.1488
176	Q	A	-1.0789
177	L	A	0.7748
178	Q	A	-0.0693
179	V	A	1.8097
180	Y	A	1.9918
181	P	A	1.0331
182	Y	A	1.4100
183	D	A	-0.4271
184	V	A	0.9087
185	P	A	-0.0746
186	D	A	-0.9486
187	Y	A	0.6792
188	A	A	0.1997