Project name: RP18-TPA

Chain sequence(s)	A: MDAMKRGLCCVLLLCGAVFVSPSQEIHARRLARRGGVKRISALIYEETRGVLKVDVFLKDLEPPIVVRFVRLIPVTDHSNAVMLSENRSLFFLRDIVEFRCHPGMTEYKLVVVGADGVGKSALTIQLITPSSYIETLPKAIKRRINALKQLQVSLFGSSRVQYVVNPAVKIVFLNIDPSDFPNWHTAYYFKQYFHFRDDLEVQYPYDVPDYA
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                                          (00:03:29)
[INFO]       Main:     Simulation completed successfully.                                          (00:03:30)

• Minimal score value: -3.6605
• Maximal score value: 3.6642
• Average score: -0.5514
• Total score value: -116.9064

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	0.1897
2	D	A	-1.0058
3	A	A	-0.4980
4	M	A	-0.5582
5	K	A	-2.3023
6	R	A	-2.4859
7	G	A	-0.7846
8	L	A	1.6310
9	C	A	2.0955
10	C	A	2.7375
11	V	A	3.5558
12	L	A	3.6642
13	L	A	3.6056
14	L	A	2.8853
15	C	A	1.5639
16	G	A	0.8852
17	A	A	1.8074
18	V	A	3.0953
19	F	A	3.5504
20	V	A	3.0498
21	S	A	1.1685
22	P	A	-0.2468
23	S	A	-1.0219
24	Q	A	-1.8462
25	E	A	-1.5123
26	I	A	0.3700
27	H	A	-1.3581
28	A	A	-1.3236
29	R	A	-2.3293
30	R	A	-2.6490
31	L	A	-0.6924
32	A	A	-1.5443
33	R	A	-2.8502
34	R	A	-2.8177
35	G	A	-2.1681
36	G	A	-1.8493
37	V	A	-1.6537
38	K	A	-3.2126
39	R	A	-2.9775
40	I	A	-1.0865
41	S	A	-0.9521
42	A	A	0.2306
43	L	A	1.1385
44	I	A	0.9099
45	Y	A	-0.6333
46	E	A	-2.7695
47	E	A	-3.2150
48	T	A	-2.5337
49	R	A	-2.7971
50	G	A	-2.4837
51	V	A	0.0000
52	L	A	0.0000
53	K	A	-1.2009
54	V	A	0.0000
55	D	A	0.1582
56	V	A	0.6232
57	F	A	0.4678
58	L	A	-0.6545
59	K	A	-2.1757
60	D	A	-3.2856
61	L	A	-2.3772
62	E	A	-3.0997
63	P	A	-1.4682
64	P	A	-0.8205
65	I	A	0.2950
66	V	A	1.7213
67	V	A	0.0000
68	R	A	-0.8520
69	F	A	0.2426
70	V	A	0.0000
71	R	A	-0.3768
72	L	A	0.0000
73	I	A	0.0580
74	P	A	0.0000
75	V	A	-0.0429
76	T	A	-0.6477
77	D	A	-1.1791
78	H	A	-1.2427
79	S	A	-0.9676
80	N	A	-1.4344
81	A	A	-0.5411
82	V	A	0.5939
83	M	A	-0.1669
84	L	A	0.0197
85	S	A	-1.0736
86	E	A	-2.8662
87	N	A	-2.6531
88	R	A	-2.9451
89	S	A	-1.3402
90	L	A	-0.2475
91	F	A	0.0000
92	F	A	0.1485
93	L	A	-0.0673
94	R	A	-1.4380
95	D	A	-0.6239
96	I	A	0.8239
97	V	A	0.0000
98	E	A	-0.5011
99	F	A	0.0000
100	R	A	-1.5550
101	C	A	-1.3528
102	H	A	-1.5354
103	P	A	-1.3805
104	G	A	-0.9597
105	M	A	-0.6682
106	T	A	-0.0838
107	E	A	-0.8388
108	Y	A	0.0000
109	K	A	-0.6589
110	L	A	0.0000
111	V	A	-0.2419
112	V	A	0.0000
113	V	A	-0.4485
114	G	A	-0.5182
115	A	A	-0.7740
116	D	A	-1.8325
117	G	A	-0.6015
118	V	A	0.2079
119	G	A	-0.7193
120	K	A	-1.4983
121	S	A	-0.6243
122	A	A	-0.2465
123	L	A	0.4697
124	T	A	-0.1573
125	I	A	-0.2079
126	Q	A	-0.6731
127	L	A	0.7930
128	I	A	1.6393
129	T	A	0.9488
130	P	A	0.6115
131	S	A	0.1654
132	S	A	-0.0296
133	Y	A	0.9814
134	I	A	0.4709
135	E	A	-1.3176
136	T	A	-0.4480
137	L	A	0.0536
138	P	A	-1.0201
139	K	A	-2.3986
140	A	A	-1.4037
141	I	A	-0.7373
142	K	A	-1.9366
143	R	A	-3.1935
144	R	A	-2.6171
145	I	A	-1.0517
146	N	A	-2.4147
147	A	A	-1.7270
148	L	A	-0.6346
149	K	A	-2.1339
150	Q	A	-1.2683
151	L	A	0.1615
152	Q	A	-0.1555
153	V	A	1.3248
154	S	A	0.6910
155	L	A	1.0309
156	F	A	2.0632
157	G	A	0.3936
158	S	A	-0.2350
159	S	A	-0.6501
160	R	A	-1.0733
161	V	A	1.0511
162	Q	A	0.4914
163	Y	A	2.0766
164	V	A	2.6793
165	V	A	1.7498
166	N	A	-0.1739
167	P	A	-0.1917
168	A	A	-0.3425
169	V	A	-0.1873
170	K	A	-1.1999
171	I	A	0.3210
172	V	A	0.3088
173	F	A	0.8104
174	L	A	0.5973
175	N	A	-0.8111
176	I	A	-1.3888
177	D	A	-2.6575
178	P	A	-2.0227
179	S	A	-1.8972
180	D	A	-2.6180
181	F	A	0.0000
182	P	A	-1.2844
183	N	A	-1.2991
184	W	A	-0.5860
185	H	A	-0.6947
186	T	A	-0.5416
187	A	A	0.0000
188	Y	A	-0.3184
189	Y	A	0.6241
190	F	A	0.2758
191	K	A	-0.8967
192	Q	A	-0.8113
193	Y	A	0.6903
194	F	A	-0.2178
195	H	A	-1.5390
196	F	A	-1.4672
197	R	A	-3.2343
198	D	A	-3.6605
199	D	A	-3.2492
200	L	A	-1.9881
201	E	A	-2.5463
202	V	A	-1.4451
203	Q	A	-1.7667
204	Y	A	0.0000
205	P	A	-0.7477
206	Y	A	-0.7977
207	D	A	-1.8435
208	V	A	-1.2302
209	P	A	-0.9199
210	D	A	-1.5310
211	Y	A	0.5041
212	A	A	0.1987