Project name: 2_29_CLas_Aggrescan3D_10Armstrong_distance

Chain sequence(s)	A: IRTFLFQPSVIPSGSMIPTLLVGDYIIVNKFSYGYSKYSFPFSYNLFNGRIFNNQPRRGDVVVFRYPKDPSIDYVKRVIGLPGDRISLEKGIIYINGAPVVRHMEGYFSYHYKEDWSSNVPIFQEKLSNGVLYNVLSQDFLAPSSNISEFLVPKGHYFMMGDNRDKSKDSRWVEVGFVPEENLVGRASFVLFSIGGDTPFSKVWLWIPNMRWDRLFKIL
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                                          (00:03:08)
[INFO]       Main:     Simulation completed successfully.                                          (00:03:09)

• Minimal score value: -2.9248
• Maximal score value: 2.7276
• Average score: -0.0781
• Total score value: -17.0955

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	I	A	1.1716
2	R	A	-0.2507
3	T	A	0.9494
4	F	A	2.2747
5	L	A	2.1836
6	F	A	1.7235
7	Q	A	0.5756
8	P	A	0.5114
9	S	A	0.4928
10	V	A	1.2907
11	I	A	0.0000
12	P	A	-0.0906
13	S	A	-0.4602
14	G	A	0.0000
15	S	A	-0.6877
16	M	A	0.0000
17	I	A	0.0000
18	P	A	0.0037
19	T	A	-0.0821
20	L	A	0.0000
21	L	A	0.3067
22	V	A	-0.0531
23	G	A	0.1369
24	D	A	0.0000
25	Y	A	1.2563
26	I	A	0.0000
27	I	A	1.0903
28	V	A	0.0000
29	N	A	0.8141
30	K	A	0.0000
31	F	A	2.0373
32	S	A	0.3407
33	Y	A	0.0000
34	G	A	0.0000
35	Y	A	0.0000
36	S	A	0.0000
37	K	A	0.1992
38	Y	A	0.1631
39	S	A	0.0000
40	F	A	1.1920
41	P	A	1.0234
42	F	A	2.1271
43	S	A	1.3288
44	Y	A	1.7912
45	N	A	0.2287
46	L	A	1.3881
47	F	A	0.6765
48	N	A	-0.9855
49	G	A	-1.0751
50	R	A	-0.1714
51	I	A	1.2184
52	F	A	1.8324
53	N	A	-0.3285
54	N	A	-0.9621
55	Q	A	-1.6114
56	P	A	0.0000
57	R	A	-2.3720
58	R	A	-1.4674
59	G	A	0.0000
60	D	A	-1.0018
61	V	A	0.0000
62	V	A	0.0000
63	V	A	0.0000
64	F	A	0.0000
65	R	A	-1.0981
66	Y	A	0.0000
67	P	A	-1.3584
68	K	A	-2.1803
69	D	A	-1.7891
70	P	A	-1.0629
71	S	A	-0.6107
72	I	A	-0.2578
73	D	A	-1.3501
74	Y	A	-0.4992
75	V	A	-0.2354
76	K	A	0.0000
77	R	A	0.0000
78	V	A	0.0000
79	I	A	0.0000
80	G	A	0.0000
81	L	A	-0.6126
82	P	A	-0.8144
83	G	A	-0.7074
84	D	A	0.0000
85	R	A	-1.2007
86	I	A	0.0000
87	S	A	-1.2826
88	L	A	0.0000
89	E	A	-2.1427
90	K	A	-1.4579
91	G	A	0.0000
92	I	A	-0.1990
93	I	A	0.0000
94	Y	A	-0.5575
95	I	A	0.0000
96	N	A	-1.6620
97	G	A	-1.3385
98	A	A	-0.4405
99	P	A	-0.2171
100	V	A	0.0000
101	V	A	0.7641
102	R	A	-0.4072
103	H	A	-1.2342
104	M	A	-0.5926
105	E	A	-1.5562
106	G	A	-0.2806
107	Y	A	0.8404
108	F	A	0.3881
109	S	A	-0.1580
110	Y	A	0.0000
111	H	A	-1.4236
112	Y	A	-1.8315
113	K	A	-2.9248
114	E	A	-2.8059
115	D	A	-1.4558
116	W	A	-0.1788
117	S	A	-0.0696
118	S	A	-0.4771
119	N	A	-0.8843
120	V	A	-0.3155
121	P	A	0.0000
122	I	A	-0.2132
123	F	A	-0.6238
124	Q	A	-0.9890
125	E	A	0.0000
126	K	A	-1.0242
127	L	A	0.0000
128	S	A	-0.9126
129	N	A	-1.7995
130	G	A	-1.0010
131	V	A	-0.2611
132	L	A	0.3804
133	Y	A	0.0000
134	N	A	-0.7784
135	V	A	0.0000
136	L	A	0.0000
137	S	A	0.0000
138	Q	A	-1.8276
139	D	A	-1.5464
140	F	A	-0.5503
141	L	A	0.5963
142	A	A	-0.1487
143	P	A	-0.3449
144	S	A	-0.6388
145	S	A	0.0000
146	N	A	-1.2132
147	I	A	-1.0949
148	S	A	-1.3593
149	E	A	-1.9444
150	F	A	-0.1404
151	L	A	0.5652
152	V	A	0.0000
153	P	A	-0.6325
154	K	A	-1.7933
155	G	A	-1.3313
156	H	A	-0.9591
157	Y	A	0.0000
158	F	A	0.0000
159	M	A	0.0000
160	M	A	0.0000
161	G	A	0.0000
162	D	A	0.0000
163	N	A	0.0000
164	R	A	0.0000
165	D	A	-2.1809
166	K	A	-1.7832
167	S	A	0.0000
168	K	A	-1.0224
169	D	A	0.0000
170	S	A	0.0000
171	R	A	0.3007
172	W	A	1.0684
173	V	A	1.7669
174	E	A	0.0255
175	V	A	0.0000
176	G	A	0.4508
177	F	A	0.5061
178	V	A	0.0000
179	P	A	-0.7342
180	E	A	-1.2348
181	E	A	-1.2605
182	N	A	0.0000
183	L	A	0.0000
184	V	A	0.0000
185	G	A	0.0000
186	R	A	-0.4043
187	A	A	0.0000
188	S	A	0.8103
189	F	A	1.7847
190	V	A	0.0000
191	L	A	1.9366
192	F	A	1.2430
193	S	A	0.0000
194	I	A	0.0000
195	G	A	0.0000
196	G	A	-1.4473
197	D	A	-2.0161
198	T	A	-0.2749
199	P	A	0.0570
200	F	A	1.2065
201	S	A	0.6190
202	K	A	0.7798
203	V	A	2.6909
204	W	A	2.5354
205	L	A	1.9774
206	W	A	2.1185
207	I	A	2.7276
208	P	A	0.8610
209	N	A	0.3114
210	M	A	0.6776
211	R	A	-0.0412
212	W	A	0.7103
213	D	A	-1.0766
214	R	A	0.2614
215	L	A	1.5285
216	F	A	2.6245
217	K	A	1.3512
218	I	A	2.5793
219	L	A	1.4060