Project name: TaCP2

Chain sequence(s)	A: MRVLYLLFSFLFIFLMPLPGVFGGIGDPVTCLKSGAICHPVFCPRRYKQIGTCGLPGTKCCKKPEAAKPIENERMQRARFMRQSNFGTIGQTPETSLAQTESSKKFLRSEELRQRLMSESEAASESRSPSAAAMGPETSGPGPGKVKVSVTTLGPGPGVLFSGTLRFAAYGDLPVTFWEGQGVGLGPGPGVSAYSFSITAYFPEG
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                                          (00:03:24)
[INFO]       Main:     Simulation completed successfully.                                          (00:03:26)

• Minimal score value: -3.8576
• Maximal score value: 5.8973
• Average score: -0.3837
• Total score value: -78.6571

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	1.3828
2	R	A	0.5237
3	V	A	2.8543
4	L	A	3.5361
5	Y	A	3.5978
6	L	A	3.8176
7	L	A	4.4122
8	F	A	5.4627
9	S	A	4.8584
10	F	A	5.7018
11	L	A	5.6500
12	F	A	5.8858
13	I	A	5.8973
14	F	A	5.6328
15	L	A	4.7646
16	M	A	3.6993
17	P	A	2.6004
18	L	A	2.9580
19	P	A	1.1452
20	G	A	1.1278
21	V	A	2.5797
22	F	A	2.4757
23	G	A	0.5903
24	G	A	0.0510
25	I	A	-0.3120
26	G	A	-0.7863
27	D	A	-0.8265
28	P	A	-0.0893
29	V	A	0.3817
30	T	A	-0.5833
31	C	A	0.0000
32	L	A	0.2756
33	K	A	-1.1405
34	S	A	-0.6076
35	G	A	-0.8820
36	A	A	0.0000
37	I	A	0.2839
38	C	A	0.6396
39	H	A	0.3395
40	P	A	0.9018
41	V	A	2.0447
42	F	A	1.6629
43	C	A	-0.3855
44	P	A	-1.4035
45	R	A	-2.8097
46	R	A	-3.3516
47	Y	A	-2.7338
48	K	A	-2.8671
49	Q	A	-1.7372
50	I	A	-0.7937
51	G	A	-0.9378
52	T	A	-0.8160
53	C	A	0.0000
54	G	A	-0.4208
55	L	A	0.5577
56	P	A	0.1637
57	G	A	0.2924
58	T	A	0.3660
59	K	A	-0.2771
60	C	A	0.0000
61	C	A	0.0000
62	K	A	-2.1941
63	K	A	-3.2123
64	P	A	-2.6103
65	E	A	-2.5882
66	A	A	-1.5777
67	A	A	-1.0150
68	K	A	-1.7920
69	P	A	-0.7597
70	I	A	0.0735
71	E	A	-2.3131
72	N	A	-2.7934
73	E	A	-3.7871
74	R	A	-3.8576
75	M	A	-2.3810
76	Q	A	-3.0725
77	R	A	-3.1226
78	A	A	-2.1252
79	R	A	-2.4213
80	F	A	-0.5923
81	M	A	-0.5719
82	R	A	-2.3174
83	Q	A	-1.7272
84	S	A	-0.8546
85	N	A	-1.0336
86	F	A	0.6916
87	G	A	0.2319
88	T	A	0.7782
89	I	A	1.6498
90	G	A	-0.1458
91	Q	A	-1.2654
92	T	A	-1.3422
93	P	A	-1.4884
94	E	A	-1.9141
95	T	A	-0.8765
96	S	A	-0.3256
97	L	A	0.4298
98	A	A	-0.6260
99	Q	A	-1.6458
100	T	A	-1.7794
101	E	A	-2.6531
102	S	A	-1.6378
103	S	A	-1.5165
104	K	A	-2.6503
105	K	A	-2.3990
106	F	A	-0.1001
107	L	A	-0.2143
108	R	A	-2.4181
109	S	A	-1.8031
110	E	A	-2.6774
111	E	A	-2.9528
112	L	A	-1.6327
113	R	A	-2.9855
114	Q	A	-3.0605
115	R	A	-2.8062
116	L	A	-1.1560
117	M	A	-1.0334
118	S	A	-2.0089
119	E	A	-2.4768
120	S	A	-1.8540
121	E	A	-2.6037
122	A	A	-2.0520
123	A	A	-2.0637
124	S	A	-2.4920
125	E	A	-2.9993
126	S	A	-2.2858
127	R	A	-2.7129
128	S	A	-1.8151
129	P	A	-0.9685
130	S	A	-0.5854
131	A	A	0.6533
132	A	A	0.4689
133	A	A	0.6385
134	M	A	0.6702
135	G	A	-0.6408
136	P	A	-1.2447
137	E	A	-2.4645
138	T	A	-1.6095
139	S	A	-1.3681
140	G	A	-0.9910
141	P	A	-0.7505
142	G	A	-0.7351
143	P	A	-0.9745
144	G	A	-1.6946
145	K	A	-2.7814
146	V	A	-2.0365
147	K	A	-2.4938
148	V	A	-0.6472
149	S	A	0.2908
150	V	A	1.6313
151	T	A	0.9330
152	T	A	1.0448
153	L	A	1.6572
154	G	A	0.4973
155	P	A	-0.1468
156	G	A	-0.3671
157	P	A	-0.3329
158	G	A	-0.1551
159	V	A	0.0000
160	L	A	0.7538
161	F	A	0.0000
162	S	A	0.2711
163	G	A	0.0000
164	T	A	-1.4164
165	L	A	0.0000
166	R	A	-2.6157
167	F	A	-0.8168
168	A	A	-0.4133
169	A	A	0.2348
170	Y	A	0.7700
171	G	A	-0.8313
172	D	A	-2.1386
173	L	A	-0.5019
174	P	A	-0.7985
175	V	A	0.0519
176	T	A	0.2055
177	F	A	0.0000
178	W	A	-0.0177
179	E	A	-1.0135
180	G	A	-1.2277
181	Q	A	-1.3750
182	G	A	-1.0222
183	V	A	-0.2919
184	G	A	-0.4785
185	L	A	-0.0693
186	G	A	-0.4951
187	P	A	-0.5685
188	G	A	-0.5690
189	P	A	-0.5702
190	G	A	-0.6032
191	V	A	-0.2274
192	S	A	-0.3152
193	A	A	-0.1613
194	Y	A	0.1955
195	S	A	-0.1386
196	F	A	0.0253
197	S	A	-0.5914
198	I	A	-0.1347
199	T	A	0.1693
200	A	A	1.1350
201	Y	A	2.0976
202	F	A	1.9049
203	P	A	0.0215
204	E	A	-1.4760
205	G	A	-1.1297