Project name: trma01-fv

Chain sequence(s)	A: ESKYGPPCPPCPAPEAAGGPSVFLFPPKPKDTLYITREPEVTCVVVDVSQEDPEVQFNWYVDGVEVHNAKTKPREEQFNSTYRVVSVLTVLHQDWLNGKEYKCKVSNKGLPSSIEKTISKAKGQPREPQVYTLPPSQEEMTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLYSRLTVDKSRWQEGNVFSCSVMHEALHNHYTQKSLSLSLGK
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]                                                (00:00:01)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:01)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:03:00)
[INFO]       Main:     Simulation completed successfully.                                          (00:03:01)

• Minimal score value: -3.4794
• Maximal score value: 1.5571
• Average score: -0.9297
• Total score value: -212.8914

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	E	A	-2.2039
2	S	A	-1.5631
3	K	A	-1.8062
4	Y	A	-0.1302
5	G	A	-0.3767
6	P	A	-0.3149
7	P	A	-0.0154
8	C	A	0.4060
9	P	A	0.0216
10	P	A	0.0731
11	C	A	0.5152
12	P	A	-0.4325
13	A	A	-0.5711
14	P	A	-1.0421
15	E	A	-2.0132
16	A	A	-1.0580
17	A	A	-0.8510
18	G	A	-0.9753
19	G	A	-0.7694
20	P	A	0.0000
21	S	A	-0.0585
22	V	A	0.0000
23	F	A	0.7091
24	L	A	0.0000
25	F	A	0.8942
26	P	A	-0.2600
27	P	A	0.0000
28	K	A	-2.2364
29	P	A	-1.3124
30	K	A	-1.1196
31	D	A	-1.4195
32	T	A	0.0000
33	L	A	0.0000
34	Y	A	0.4812
35	I	A	1.3547
36	T	A	0.1382
37	R	A	-1.3298
38	E	A	-2.1610
39	P	A	0.0000
40	E	A	-1.4030
41	V	A	0.0000
42	T	A	0.1384
43	C	A	0.0000
44	V	A	0.0000
45	V	A	0.0000
46	V	A	-0.8420
47	D	A	-1.4668
48	V	A	0.0000
49	S	A	-2.2384
50	Q	A	-2.8851
51	E	A	-3.1720
52	D	A	-2.8680
53	P	A	-2.8458
54	E	A	-3.0869
55	V	A	-1.8343
56	Q	A	-1.7561
57	F	A	-1.2105
58	N	A	-1.1184
59	W	A	0.0000
60	Y	A	-0.7012
61	V	A	-0.9357
62	D	A	-2.1716
63	G	A	-0.9162
64	V	A	0.5412
65	E	A	-0.7457
66	V	A	-0.5755
67	H	A	-1.8973
68	N	A	-2.1570
69	A	A	-1.8581
70	K	A	-2.4517
71	T	A	-1.9911
72	K	A	-2.5402
73	P	A	-2.4483
74	R	A	-3.4794
75	E	A	-3.3236
76	E	A	-3.0829
77	Q	A	-1.2394
78	F	A	0.8695
79	N	A	-0.3514
80	S	A	-0.8762
81	T	A	-1.7832
82	Y	A	0.0000
83	R	A	-2.3228
84	V	A	0.0000
85	V	A	0.0000
86	S	A	0.0000
87	V	A	-0.8819
88	L	A	0.0000
89	T	A	-0.9976
90	V	A	0.0000
91	L	A	0.4525
92	H	A	0.0000
93	Q	A	-1.0883
94	D	A	-1.3453
95	W	A	0.0000
96	L	A	-0.9405
97	N	A	-2.0504
98	G	A	-2.0935
99	K	A	-2.1632
100	E	A	-2.1282
101	Y	A	0.0000
102	K	A	-1.8083
103	C	A	0.0000
104	K	A	-1.5964
105	V	A	0.0000
106	S	A	-1.3553
107	N	A	0.0000
108	K	A	-2.7221
109	G	A	-2.0518
110	L	A	-0.8186
111	P	A	-0.6618
112	S	A	-0.6848
113	S	A	-0.8507
114	I	A	-0.6879
115	E	A	-2.2547
116	K	A	-1.5900
117	T	A	-1.2201
118	I	A	-0.3353
119	S	A	-1.1522
120	K	A	-1.2659
121	A	A	-1.1639
122	K	A	-2.3526
123	G	A	-1.9698
124	Q	A	-2.1118
125	P	A	-1.7109
126	R	A	-2.0799
127	E	A	-2.7261
128	P	A	0.0000
129	Q	A	-1.3706
130	V	A	0.0000
131	Y	A	0.5170
132	T	A	0.2837
133	L	A	0.4833
134	P	A	-0.1522
135	P	A	-0.8068
136	S	A	-1.4236
137	Q	A	-2.2586
138	E	A	-2.8489
139	E	A	-2.4806
140	M	A	-2.1839
141	T	A	-2.0326
142	K	A	-3.1068
143	N	A	-2.9053
144	Q	A	-2.5573
145	V	A	0.0000
146	S	A	-0.8661
147	L	A	0.0000
148	T	A	-0.1362
149	C	A	0.0000
150	L	A	0.4446
151	V	A	0.0000
152	K	A	-0.6934
153	G	A	-1.3162
154	F	A	0.0000
155	Y	A	-0.9843
156	P	A	0.0000
157	S	A	0.0573
158	D	A	-1.0467
159	I	A	0.0000
160	A	A	-0.6124
161	V	A	0.0000
162	E	A	-1.2670
163	W	A	0.0000
164	E	A	-1.6235
165	S	A	0.0000
166	N	A	-1.8602
167	G	A	-1.8181
168	Q	A	-2.2155
169	P	A	-1.9040
170	E	A	0.0000
171	N	A	-2.4137
172	N	A	-2.2924
173	Y	A	-2.0790
174	K	A	-2.4179
175	T	A	-1.0654
176	T	A	-0.3257
177	P	A	0.0519
178	P	A	0.6509
179	V	A	1.5571
180	L	A	1.2943
181	D	A	-0.5467
182	S	A	-1.0958
183	D	A	-2.0325
184	G	A	-0.8474
185	S	A	0.0000
186	F	A	0.3950
187	F	A	0.6830
188	L	A	0.0000
189	Y	A	0.3534
190	S	A	0.0000
191	R	A	-1.5910
192	L	A	0.0000
193	T	A	-1.4684
194	V	A	0.0000
195	D	A	-2.5465
196	K	A	-2.8255
197	S	A	-2.3424
198	R	A	-2.1315
199	W	A	0.0000
200	Q	A	-2.6081
201	E	A	-2.7231
202	G	A	-1.2402
203	N	A	-1.0495
204	V	A	0.2519
205	F	A	0.0000
206	S	A	0.0000
207	C	A	0.0000
208	S	A	0.0000
209	V	A	0.0000
210	M	A	0.0000
211	H	A	0.0000
212	E	A	-1.0096
213	A	A	-1.4684
214	L	A	-1.4304
215	H	A	-1.7437
216	N	A	-1.4240
217	H	A	-0.8847
218	Y	A	-0.3746
219	T	A	-0.7350
220	Q	A	-0.9531
221	K	A	-1.0330
222	S	A	-0.1834
223	L	A	0.0000
224	S	A	0.0000
225	L	A	-0.3980
226	S	A	-0.2480
227	L	A	0.8424
228	G	A	-0.4706
229	K	A	-1.4263