Project name: query_structure

Chain sequence(s)	A: YITPVNSLEKHSWYHGPVSRNAAEYLLSSGINGSFLVRESESSPGQRSISLRYEGRVYHYRINTASDGKLYVSSESRFNTLAELVHHHSTVADGLITTLHYPAPKRNKPTVYGV; D: SVSSVPTKLEVVAATPTSLLISWDAPAVTVDFYVITYGETGGNSPVQEFTVPGSKSTATISGLSPGVDYTITVYAGYSDSWNWPYSPISINYRT
Selected Chain(s)	A,D
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 all 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                                          (00:01:27)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:29)

• Minimal score value: -3.3508
• Maximal score value: 2.4972
• Average score: -0.5893
• Total score value: -122.5835

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
134	Y	A	2.0716
135	I	A	2.4972
136	T	A	1.1677
137	P	A	1.1655
138	V	A	1.4058
139	N	A	0.0256
140	S	A	-0.4479
141	L	A	-0.5953
142	E	A	-1.1489
143	K	A	-1.9149
144	H	A	-1.2657
145	S	A	-1.0163
146	W	A	0.0000
147	Y	A	0.0000
148	H	A	-0.7709
149	G	A	0.0000
150	P	A	-0.6414
151	V	A	0.0000
152	S	A	-1.0715
153	R	A	-1.2756
154	N	A	0.0000
155	A	A	0.0000
156	A	A	0.0000
157	E	A	-0.7374
158	Y	A	0.0000
159	L	A	0.0000
160	L	A	0.0000
161	S	A	-0.3969
162	S	A	-0.1375
163	G	A	0.2751
164	I	A	0.7025
165	N	A	-0.6381
166	G	A	0.0000
167	S	A	0.0000
168	F	A	0.0000
169	L	A	0.0000
170	V	A	0.0000
171	R	A	-1.0291
172	E	A	0.0000
173	S	A	-1.4405
174	E	A	-1.6656
175	S	A	-1.1007
176	S	A	-1.0162
177	P	A	-1.2612
178	G	A	-1.2756
179	Q	A	-1.7885
180	R	A	-1.5072
181	S	A	-1.3609
182	I	A	0.0000
183	S	A	0.0000
184	L	A	0.0000
185	R	A	-0.6644
186	Y	A	-0.9120
187	E	A	-2.5671
188	G	A	-2.2190
189	R	A	-2.2679
190	V	A	-0.9945
191	Y	A	-0.0468
192	H	A	-0.4894
193	Y	A	-0.7158
194	R	A	-2.0380
195	I	A	0.0000
196	N	A	-1.2554
197	T	A	-1.4199
198	A	A	-1.2832
199	S	A	-1.3661
200	D	A	-2.4022
201	G	A	-2.0122
202	K	A	-2.0266
203	L	A	-1.2634
204	Y	A	-1.2505
205	V	A	-0.8370
206	S	A	-1.3114
207	S	A	-1.4728
208	E	A	-2.3516
209	S	A	-1.6106
210	R	A	-2.2957
211	F	A	-1.4350
212	N	A	-2.0748
213	T	A	-1.2149
214	L	A	0.0000
215	A	A	-0.9592
216	E	A	-1.9053
217	L	A	0.0000
218	V	A	0.0000
219	H	A	-1.5280
220	H	A	-1.0003
221	H	A	0.0000
222	S	A	-0.5966
223	T	A	-0.1527
224	V	A	0.4154
225	A	A	0.1704
226	D	A	-0.7373
227	G	A	-0.5518
228	L	A	0.0000
229	I	A	0.9692
230	T	A	0.2376
231	T	A	-0.1672
232	L	A	0.0000
233	H	A	-0.7136
234	Y	A	0.3717
235	P	A	-0.2643
236	A	A	0.0000
237	P	A	-0.9527
238	K	A	-2.1245
239	R	A	-2.0662
240	N	A	-2.4798
241	K	A	-2.5445
242	P	A	0.0000
243	T	A	0.3121
244	V	A	1.7804
245	Y	A	2.1184
246	G	A	0.0000
247	V	A	0.8419
3	S	D	0.6070
4	V	D	1.5798
5	S	D	0.7190
6	S	D	0.2524
7	V	D	-0.1179
8	P	D	0.0000
9	T	D	-1.6083
10	K	D	-2.7663
11	L	D	0.0000
12	E	D	-1.8528
13	V	D	0.3026
14	V	D	1.5406
15	A	D	0.9042
16	A	D	0.3531
17	T	D	-0.1631
18	P	D	-0.7604
19	T	D	-0.5560
20	S	D	-0.2481
21	L	D	0.0000
22	L	D	0.8393
23	I	D	0.0000
24	S	D	-0.8631
25	W	D	0.0000
26	D	D	-2.7013
27	A	D	-1.1203
28	P	D	-0.2382
29	A	D	0.4029
30	V	D	1.0833
31	T	D	0.3342
32	V	D	0.0000
33	D	D	0.0744
34	F	D	0.0000
35	Y	D	0.0000
36	V	D	0.0000
37	I	D	0.0000
38	T	D	0.0000
39	Y	D	0.0000
40	G	D	-1.9411
41	E	D	-3.1520
42	T	D	-2.3441
43	G	D	-2.3898
44	G	D	-2.1495
45	N	D	-2.1591
46	S	D	-1.4131
47	P	D	-0.9890
48	V	D	-1.1667
49	Q	D	-1.5538
50	E	D	-0.8949
51	F	D	0.1165
52	T	D	0.5314
53	V	D	0.0474
54	P	D	-0.1889
55	G	D	-0.4375
56	S	D	-0.8853
57	K	D	-1.4203
58	S	D	-1.2806
59	T	D	-0.4780
60	A	D	0.0000
61	T	D	0.3016
62	I	D	0.0000
63	S	D	-0.4450
64	G	D	-0.6760
65	L	D	0.0000
66	S	D	-1.1150
67	P	D	-1.2054
68	G	D	-1.4155
69	V	D	-1.8984
70	D	D	-3.3508
71	Y	D	0.0000
72	T	D	-1.4968
73	I	D	0.0000
74	T	D	-0.1439
75	V	D	0.0000
76	Y	D	0.0000
77	A	D	0.0000
78	G	D	0.0000
79	Y	D	-0.1324
80	S	D	-0.2451
81	D	D	-1.4071
82	S	D	-1.1217
83	W	D	0.0000
84	N	D	-1.2018
85	W	D	0.0000
86	P	D	-0.3782
87	Y	D	0.0548
88	S	D	0.2075
89	P	D	0.2755
90	I	D	0.2225
91	S	D	-0.5692
92	I	D	-0.5623
93	N	D	-2.1501
94	Y	D	-1.9561
95	R	D	-3.0135
96	T	D	-1.4918