Project name: query_structure

Chain sequence(s)	I: VVYTDCTESGQNLCLCEGSNVCGQGNKCILGSDGEKNQCVTGEGTPKPQSHNDGDFEEIPEEYLQ; H: IVEGQDAEVGLSPWQVMLFRKSPQELLCGASLISDRWVLTAAHCLLYPPWDKNFTVDDLLVRIGKHSRTRYERKVEKISMLDKIYIHPRYNWKENLDRDIALLKLKRPIELSDYIHPVCLPDKQTAAKLLHAGFKGRVTGWGNRRETWTTSVAEVQPSVLQVVNLPLVERPVCKASTRIRITDNMFCAGYKPGEGKRGDACEGDSGGPFVMKSPYNNRWYQMGIVSWGEGCDRDGKYGFYTHVFRLKKWIQKVIDRLGS; L: TFGAGEADCGLRPLFEKKQVQDQTEKELFESYIEGR
Selected Chain(s)	I,H,L
Distance of aggregation	10 Å
FoldX usage	Yes
Dynamic mode	No
Automated mutations	No

Simulation log

[INFO]       Logger:   Verbosity set to: 2 - [INFO]                                                (00:00:02)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:02)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with all chain(s) selected           (00:00:02)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:02)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:03)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:14:32)
[INFO]       Main:     Simulation completed successfully.                                          (00:14:36)

• Minimal score value: -3.7561
• Maximal score value: 0.8025
• Average score: -0.8774
• Total score value: -315.8496

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
1H	T	L	-0.4837
1G	F	L	0.0174
1F	G	L	-0.8346
1E	A	L	0.0000
1D	G	L	-1.2691
1C	E	L	-1.5712
1B	A	L	-1.0033
1A	D	L	-1.2227
1	C	L	-0.8284
2	G	L	0.0000
3	L	L	-0.7769
4	R	L	0.0000
5	P	L	-1.3016
6	L	L	-0.9922
7	F	L	-1.1075
8	E	L	0.0000
9	K	L	-2.7968
10	K	L	-2.7047
11	Q	L	-2.1532
12	V	L	-0.8260
13	Q	L	-1.7253
14	D	L	0.0000
14A	Q	L	-1.9657
14B	T	L	-1.3641
14C	E	L	0.0000
14D	K	L	-2.6491
14E	E	L	-1.8878
14F	L	L	0.0000
14G	F	L	-0.9610
14H	E	L	-1.9614
14I	S	L	-1.3755
14J	Y	L	-0.4799
14K	I	L	0.3380
14L	E	L	-1.6800
14M	G	L	-1.5341
15	R	L	-2.0658
16	I	H	0.0000
17	V	H	0.0000
18	E	H	-3.0983
19	G	H	-2.3140
20	Q	H	-2.8372
21	D	H	-2.9116
22	A	H	0.0000
23	E	H	-2.2621
24	V	H	-0.5221
25	G	H	-0.3536
26	L	H	0.0000
27	S	H	-0.2846
28	P	H	0.0000
29	W	H	0.0000
30	Q	H	0.0000
31	V	H	0.0000
32	M	H	0.0000
33	L	H	0.0000
34	F	H	0.0000
35	R	H	-1.2491
36	K	H	-1.2707
36A	S	H	-1.1839
37	P	H	-1.3047
38	Q	H	-2.4274
39	E	H	-1.8953
40	L	H	0.0000
41	L	H	-0.5656
42	C	H	0.0000
43	G	H	0.0000
44	A	H	0.0000
45	S	H	0.0000
46	L	H	0.0000
47	I	H	0.0000
48	S	H	0.0000
49	D	H	-1.1838
50	R	H	-1.4400
51	W	H	0.0000
52	V	H	0.0000
53	L	H	0.0000
54	T	H	0.0000
55	A	H	0.0000
56	A	H	0.0000
57	H	H	0.0000
58	C	H	0.0000
59	L	H	0.0000
60	L	H	-0.3994
60A	Y	H	0.0000
60B	P	H	-1.0842
60C	P	H	-1.0633
60D	W	H	-1.0614
60E	D	H	-2.0513
60F	K	H	0.0000
60G	N	H	-1.4863
60H	F	H	-0.7880
60I	T	H	-0.8592
61	V	H	-0.9197
62	D	H	-1.8360
63	D	H	-1.4081
64	L	H	0.0000
65	L	H	0.0000
66	V	H	0.0000
67	R	H	0.0000
68	I	H	0.0000
69	G	H	0.0000
70	K	H	0.0000
71	H	H	-0.7325
72	S	H	-0.7754
73	R	H	0.0000
74	T	H	-2.0073
75	R	H	-2.8012
76	Y	H	-2.2441
77	E	H	-2.2050
77A	R	H	-3.0094
78	K	H	-2.6298
79	V	H	-1.4813
80	E	H	0.0000
81	K	H	-1.3756
82	I	H	0.0000
83	S	H	0.0000
84	M	H	-0.6003
85	L	H	0.0000
86	D	H	-1.6557
87	K	H	-1.1108
88	I	H	0.2058
89	Y	H	0.4891
90	I	H	0.2218
91	H	H	-0.7071
92	P	H	-1.1109
93	R	H	-2.1028
94	Y	H	0.0000
95	N	H	-1.8980
96	W	H	-1.5617
97	K	H	-2.7508
97A	E	H	-3.0546
98	N	H	0.0000
99	L	H	0.0000
100	D	H	0.0000
101	R	H	-1.3874
102	D	H	0.0000
103	I	H	0.0000
104	A	H	0.0000
105	L	H	0.0000
106	L	H	0.0000
107	K	H	-1.0694
108	L	H	0.0000
109	K	H	-2.1531
110	R	H	-1.8614
111	P	H	-1.4489
112	I	H	0.0000
113	E	H	-1.9028
114	L	H	-0.6919
115	S	H	-0.7392
116	D	H	-0.9724
117	Y	H	-0.1252
118	I	H	0.0000
119	H	H	0.0000
120	P	H	0.0000
121	V	H	0.0000
122	C	H	0.0000
123	L	H	-0.3270
124	P	H	0.0000
125	D	H	-2.3997
126	K	H	-2.8985
127	Q	H	-2.5826
128	T	H	0.0000
129	A	H	0.0000
129A	A	H	-1.4328
129B	K	H	-1.6363
129C	L	H	0.0000
130	L	H	-0.2466
131	H	H	-1.0462
132	A	H	-0.9371
133	G	H	-1.1230
134	F	H	0.0000
135	K	H	-0.4862
136	G	H	0.0000
137	R	H	0.0000
138	V	H	0.0000
139	T	H	0.0000
140	G	H	0.0000
141	W	H	0.0000
142	G	H	0.0000
143	N	H	0.0000
144	R	H	-2.2688
145	R	H	-1.9613
146	E	H	-1.0675
147	T	H	-0.4914
148	W	H	-0.0493
149	T	H	0.0457
149A	T	H	0.1324
149B	S	H	-0.0415
149C	V	H	0.8025
149D	A	H	-0.5490
149E	E	H	-1.7859
150	V	H	0.0000
151	Q	H	-1.8452
152	P	H	0.0000
153	S	H	-0.8046
154	V	H	-0.9478
155	L	H	0.0000
156	Q	H	0.0000
157	V	H	0.0000
158	V	H	0.0000
159	N	H	0.0000
160	L	H	0.0000
161	P	H	0.0000
162	L	H	0.0000
163	V	H	0.0000
164	E	H	-1.1502
165	R	H	-1.4855
166	P	H	-1.0005
167	V	H	-0.5927
168	C	H	0.0000
169	K	H	-2.3989
170	A	H	-1.0350
171	S	H	-1.0620
172	T	H	-1.6567
173	R	H	-2.5642
174	I	H	-2.1665
175	R	H	-2.7096
176	I	H	-1.8399
177	T	H	-1.3317
178	D	H	-1.7279
179	N	H	0.0000
180	M	H	0.0000
181	F	H	-0.2874
182	C	H	0.0000
183	A	H	0.0000
184	G	H	0.0000
184A	Y	H	-1.9937
185	K	H	-2.2450
186	P	H	-2.4457
186A	G	H	-2.4914
186B	E	H	-3.2382
186C	G	H	-2.7099
186D	K	H	-3.3982
187	R	H	-3.2107
188	G	H	0.0000
189	D	H	0.0000
190	A	H	0.0000
191	C	H	0.0000
192	E	H	-0.7026
193	G	H	0.0000
194	D	H	0.0000
195	S	H	-0.0068
196	G	H	0.0000
197	G	H	0.0000
198	P	H	0.0000
199	F	H	0.0000
200	V	H	0.0000
201	M	H	0.0000
202	K	H	0.0000
203	S	H	0.0000
204	P	H	0.1085
204A	Y	H	0.4407
204B	N	H	-0.3635
205	N	H	-0.9423
206	R	H	-0.6865
207	W	H	0.0000
208	Y	H	0.0000
209	Q	H	0.0000
210	M	H	0.0000
211	G	H	0.0000
212	I	H	0.0000
213	V	H	0.0000
214	S	H	0.0000
215	W	H	0.0000
216	G	H	0.0000
217	E	H	0.0000
219	G	H	0.0000
220	C	H	0.0000
221	D	H	0.0000
221A	R	H	-1.5658
222	D	H	-2.4412
223	G	H	-1.4687
224	K	H	0.0000
225	Y	H	0.0000
226	G	H	0.0000
227	F	H	0.0000
228	Y	H	0.0000
229	T	H	0.0000
230	H	H	-0.6999
231	V	H	0.0000
232	F	H	-1.0443
233	R	H	-1.7596
234	L	H	0.0000
235	K	H	-2.1887
236	K	H	-2.9245
237	W	H	0.0000
238	I	H	0.0000
239	Q	H	-3.2152
240	K	H	-3.1290
241	V	H	0.0000
242	I	H	0.0000
243	D	H	-1.4698
244	R	H	-1.8606
245	L	H	0.3030
246	G	H	-0.7721
247	S	H	-0.9191
1	V	I	0.0000
2	V	I	0.1357
3	Y	I	0.0000
4	T	I	0.0000
5	D	I	-1.2680
6	C	I	0.0000
7	T	I	-1.0342
8	E	I	-1.9266
9	S	I	-1.0236
10	G	I	-0.9765
11	Q	I	0.0000
12	N	I	0.0000
13	L	I	-0.5364
14	C	I	0.0000
15	L	I	0.0000
16	C	I	0.0000
17	E	I	-2.7376
18	G	I	-1.9894
19	S	I	-1.3498
20	N	I	-1.5798
21	V	I	0.0000
22	C	I	0.0000
23	G	I	-1.6713
24	Q	I	-2.2830
25	G	I	-1.7190
26	N	I	-1.4489
27	K	I	-1.3677
28	C	I	0.0000
29	I	I	-0.5591
30	L	I	-1.3476
31	G	I	-2.1727
32	S	I	-2.0739
33	D	I	-2.9304
34	G	I	-2.7741
35	E	I	-3.7528
36	K	I	-3.7561
37	N	I	-2.6456
38	Q	I	-2.0158
39	C	I	-1.0195
40	V	I	-0.3666
41	T	I	-0.7412
42	G	I	-1.3815
43	E	I	-2.4544
44	G	I	-1.5271
45	T	I	-1.1339
46	P	I	-0.8854
47	K	I	-0.7365
48	P	I	-0.7491
49	Q	I	-0.9131
50	S	I	-1.0389
51	H	I	-1.4560
52	N	I	-1.2810
53	D	I	-1.7304
54	G	I	-2.1149
55	D	I	-2.9640
56	F	I	-2.5720
57	E	I	-2.8747
58	E	I	-3.1072
59	I	I	0.0000
60	P	I	-2.0802
61	E	I	-3.1285
62	E	I	-2.7816
63	Y	I	-1.4437
64	L	I	-2.0165
65	Q	I	-2.0739