Project name: RP14-TPA

Chain sequence(s)	A: MDAMKRGLCCVLLLCGAVFVSPSQEIHARHSGQNHLKEMAISVLEARACAAAGQILPQAPSGPSYATYLQPAQAQMLTPLRTAAYVNAIEKIFKVYNEAGVTFTKPLRRNNSYTSYIMAICGMPLDSFRSWIHCWKYLSVQSQLFRGSSLLFRRVIQTSKYYMRDVIAIESAWLLELAPYPYDVPDYA
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                                          (00:02:25)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:27)

• Minimal score value: -3.2191
• Maximal score value: 3.5319
• Average score: -0.1389
• Total score value: -26.1179

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	0.1946
2	D	A	-1.0978
3	A	A	-0.7640
4	M	A	-0.7152
5	K	A	-2.3288
6	R	A	-2.2142
7	G	A	-1.0833
8	L	A	0.5417
9	C	A	1.2899
10	C	A	1.4268
11	V	A	1.6606
12	L	A	1.8297
13	L	A	2.0856
14	L	A	2.3585
15	C	A	2.0915
16	G	A	1.5237
17	A	A	2.0616
18	V	A	3.1848
19	F	A	3.5319
20	V	A	2.3678
21	S	A	0.6284
22	P	A	-0.4912
23	S	A	-1.0080
24	Q	A	-1.9449
25	E	A	-2.2940
26	I	A	-1.0497
27	H	A	-2.0964
28	A	A	-2.3197
29	R	A	-3.0326
30	H	A	-2.4551
31	S	A	-2.1221
32	G	A	-2.2507
33	Q	A	-2.6815
34	N	A	-2.6832
35	H	A	-2.0906
36	L	A	-0.4572
37	K	A	-2.0863
38	E	A	-1.8574
39	M	A	0.2237
40	A	A	0.4937
41	I	A	0.9801
42	S	A	0.0496
43	V	A	0.5268
44	L	A	0.6065
45	E	A	-0.7700
46	A	A	-0.3757
47	R	A	-1.6233
48	A	A	-1.2089
49	C	A	-0.4594
50	A	A	-0.4084
51	A	A	-0.7838
52	A	A	-0.3609
53	G	A	-0.2769
54	Q	A	0.0461
55	I	A	1.6825
56	L	A	1.1708
57	P	A	-0.0084
58	Q	A	-0.8644
59	A	A	-0.4817
60	P	A	-0.6770
61	S	A	-0.6254
62	G	A	-0.5854
63	P	A	-0.3388
64	S	A	0.3787
65	Y	A	1.4685
66	A	A	0.9206
67	T	A	0.8380
68	Y	A	1.4536
69	L	A	0.4844
70	Q	A	-0.9969
71	P	A	-0.8105
72	A	A	-0.6947
73	Q	A	-0.5410
74	A	A	-0.4952
75	Q	A	-0.9966
76	M	A	-0.0248
77	L	A	-0.2083
78	T	A	-0.7792
79	P	A	-0.4924
80	L	A	-0.2312
81	R	A	-1.2464
82	T	A	-0.3513
83	A	A	0.2922
84	A	A	0.1262
85	Y	A	1.0344
86	V	A	1.2108
87	N	A	-0.6496
88	A	A	-0.1508
89	I	A	0.3009
90	E	A	-1.3920
91	K	A	-1.6814
92	I	A	0.0136
93	F	A	-0.5137
94	K	A	-2.0404
95	V	A	0.0861
96	Y	A	-0.0208
97	N	A	-1.5463
98	E	A	-1.8885
99	A	A	-0.6770
100	G	A	-0.6236
101	V	A	0.7299
102	T	A	0.1356
103	F	A	1.0069
104	T	A	-0.3552
105	K	A	-1.5353
106	P	A	-1.2765
107	L	A	-0.4843
108	R	A	-2.8754
109	R	A	-3.2191
110	N	A	-2.9415
111	N	A	-2.3572
112	S	A	-0.8719
113	Y	A	0.5633
114	T	A	0.6169
115	S	A	1.1869
116	Y	A	2.2192
117	I	A	2.6518
118	M	A	2.0206
119	A	A	1.3504
120	I	A	1.1854
121	C	A	1.1438
122	G	A	0.2497
123	M	A	0.3737
124	P	A	0.0889
125	L	A	0.5110
126	D	A	-1.4467
127	S	A	-0.8822
128	F	A	-0.6649
129	R	A	-2.0872
130	S	A	-0.4413
131	W	A	0.4070
132	I	A	0.4422
133	H	A	-0.6030
134	C	A	0.0000
135	W	A	0.2404
136	K	A	-0.7571
137	Y	A	0.2366
138	L	A	0.0000
139	S	A	0.2468
140	V	A	1.0308
141	Q	A	-0.2012
142	S	A	-0.1703
143	Q	A	0.2762
144	L	A	0.5609
145	F	A	0.7880
146	R	A	-1.3348
147	G	A	-0.9886
148	S	A	-0.1495
149	S	A	0.1711
150	L	A	1.5027
151	L	A	1.8506
152	F	A	0.7249
153	R	A	-1.4778
154	R	A	-1.7017
155	V	A	-0.2832
156	I	A	0.5179
157	Q	A	-0.2080
158	T	A	-0.0180
159	S	A	0.1094
160	K	A	-0.7144
161	Y	A	1.1989
162	Y	A	1.2432
163	M	A	0.6138
164	R	A	-0.6286
165	D	A	-0.5441
166	V	A	-0.1932
167	I	A	0.1601
168	A	A	0.0479
169	I	A	0.3752
170	E	A	-0.8485
171	S	A	-0.2795
172	A	A	0.0972
173	W	A	0.5410
174	L	A	0.8426
175	L	A	1.1570
176	E	A	-0.3489
177	L	A	0.8320
178	A	A	0.8662
179	P	A	0.6102
180	Y	A	0.9827
181	P	A	0.6793
182	Y	A	0.7717
183	D	A	-0.6726
184	V	A	0.6798
185	P	A	-0.3492
186	D	A	-1.0316
187	Y	A	0.6882
188	A	A	0.1581