Project name: query_structure

Chain sequence(s)	I: LTYTDCTESGQNLCLCEGSNVVCGQGNKCILGSSDGEKNQCVTGEGTPKPQSGDFEEIPEEEYLQ; H: IVEGSDAEIIGMSSPWQVMLLFRKSPQELLCGASSLISDRWVLTAAHCLLYPPWDKNFTENDLLVRIGKHSRTRYERNIEKISMLLEKIYIHPRYNWREENLDRDIALMKLKKPVAFSDYIHPVCLPDRRETAASLLQAGYKGRVVTGWGNLKETGQPSVLQVVNLPIVERPVCKDSTRIRITDNMFCAGYKPDEGKRGDACEGDSGGPFVMKSPFNNRWYQMGIVSWGEGCDRDGKYGFYTHVFRLKKWIQKKVIDQFG; L: ADCGLRPLFEKKSLEDKTERELLESYI
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]                                                (00:00:00)
[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                                          (00:05:32)
[INFO]       Main:     Simulation completed successfully.                                          (00:05:34)

• Minimal score value: -3.6567
• Maximal score value: 1.5914
• Average score: -0.864
• Total score value: -292.8943

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
1B	A	L	-0.5598
1A	D	L	-1.4572
1	C	L	-0.4366
2	G	L	0.0000
3	L	L	-1.0734
4	R	L	0.0000
5	P	L	0.0000
6	L	L	-0.6231
7	F	L	0.0000
8	E	L	-1.6275
9	K	L	-2.5211
10	K	L	-2.2809
11	S	L	-1.2982
12	L	L	-0.7291
13	E	L	-2.1419
14	D	L	0.0000
14A	K	L	-2.3677
14B	T	L	-1.7159
14C	E	L	0.0000
14D	R	L	-2.5910
14E	E	L	-2.1009
14F	L	L	0.0000
14G	L	L	-0.8487
14H	E	L	-1.6682
14I	S	L	-0.5487
14J	Y	L	0.3962
14K	I	L	1.5914
16	I	H	0.0000
17	V	H	0.0000
18	E	H	-2.6810
19	G	H	-1.6320
20	S	H	-1.5223
21	D	H	-1.7990
22	A	H	0.0000
23	E	H	-0.2997
24	I	H	1.0409
25	G	H	0.4568
26	M	H	0.0000
27	S	H	0.0000
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	-1.0218
36	K	H	-0.8273
36A	S	H	-0.7562
37	P	H	-0.9017
38	Q	H	-1.3991
39	E	H	-1.3212
40	L	H	-0.3709
41	L	H	-0.0275
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	-0.0129
48	S	H	-0.4705
49	D	H	-1.3360
50	R	H	-1.6840
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	-0.4587
60A	Y	H	0.0000
60B	P	H	-1.2681
60C	P	H	-1.1043
60D	W	H	-1.2854
60E	D	H	-2.0966
60F	K	H	-1.5321
60G	N	H	-1.6724
60H	F	H	-1.0646
60I	T	H	-1.2196
61	E	H	-1.6671
62	N	H	-1.9173
63	D	H	-1.6542
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	-0.1618
72	S	H	-0.4415
73	R	H	0.0000
74	T	H	-1.7719
75	R	H	-2.6936
76	Y	H	-2.0245
77	E	H	-1.7762
77I	R	H	-2.5597
78	N	H	-1.8469
79	I	H	-0.5634
80	E	H	0.0000
81	K	H	-0.9628
82	I	H	0.0000
83	S	H	0.0000
84	M	H	-0.8191
85	L	H	0.0000
86	E	H	-2.5837
87	K	H	-1.7381
88	I	H	-0.5218
89	Y	H	0.3499
90	I	H	0.2099
91	H	H	-0.6706
92	P	H	-1.1417
93	R	H	-2.0854
94	Y	H	0.0000
95	N	H	-1.9125
96	W	H	-1.6528
97	R	H	-3.0086
97A	E	H	-3.2404
98	N	H	-1.9310
99	L	H	0.0000
100	D	H	0.0000
101	R	H	-1.3516
102	D	H	0.0000
103	I	H	0.0000
104	A	H	0.0000
105	L	H	0.0000
106	M	H	0.0000
107	K	H	-1.3984
108	L	H	0.0000
109	K	H	-2.5035
110	K	H	-2.6510
111	P	H	-1.6625
112	V	H	0.0000
113	A	H	-0.0682
114	F	H	0.4604
115	S	H	-0.0716
116	D	H	-0.8525
117	Y	H	0.2618
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	0.0205
124	P	H	0.0000
125	D	H	-2.9388
126	R	H	-3.5554
127	E	H	-3.1506
128	T	H	-1.5396
129	A	H	-1.5817
129A	A	H	-1.2200
129B	S	H	-0.5786
129C	L	H	0.0000
130	L	H	-0.0234
131	Q	H	-0.7751
132	A	H	-0.7325
133	G	H	-0.3169
134	Y	H	-0.1817
135	K	H	-0.5432
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	-1.3502
144	L	H	-1.5018
145	K	H	-2.4126
146	E	H	-1.5757
147	T	H	-1.0009
150	G	H	-1.3083
151	Q	H	-1.3867
152	P	H	0.0000
153	S	H	-0.8160
154	V	H	-0.5773
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	I	H	0.0000
163	V	H	0.0000
164	E	H	-1.2304
165	R	H	-1.7445
166	P	H	-1.4068
167	V	H	-1.0993
168	C	H	0.0000
169	K	H	-2.8173
170	D	H	-2.5925
171	S	H	-1.7677
172	T	H	-1.7354
173	R	H	-2.0014
174	I	H	-1.9674
175	R	H	-2.5537
176	I	H	0.0000
177	T	H	-1.6101
178	D	H	-2.2250
179	N	H	0.0000
180	M	H	0.0000
181	F	H	0.0000
182	C	H	0.0000
183	A	H	0.0000
184	G	H	0.0000
184A	Y	H	-1.9498
185	K	H	-2.3816
186	P	H	-2.8717
186A	D	H	-3.1924
186B	E	H	-2.8125
186C	G	H	-2.5509
186D	K	H	-3.3426
187	R	H	-3.3910
188	G	H	0.0000
189	D	H	-1.1615
190	A	H	-0.7191
191	C	H	0.0000
192	E	H	-1.0982
193	G	H	-0.3641
194	D	H	0.0000
195	S	H	0.0000
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	0.0493
204A	F	H	1.0926
204B	N	H	-0.5289
205	N	H	-1.0336
206	R	H	-0.8847
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	-0.2508
217	E	H	0.0000
219	G	H	0.0000
220	C	H	0.0000
221	D	H	-1.8806
221A	R	H	-1.8505
222	D	H	-2.8001
223	G	H	-1.8499
224	K	H	-1.3881
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	-0.9028
231	V	H	0.0000
232	F	H	-1.3501
233	R	H	-2.6748
234	L	H	0.0000
235	K	H	-2.3996
236	K	H	-2.8315
237	W	H	0.0000
238	I	H	0.0000
239	Q	H	-2.7425
240	K	H	-3.2110
241	V	H	0.0000
242	I	H	-1.3033
243	D	H	-2.7068
244	Q	H	-2.0416
245	F	H	-0.4087
246	G	H	-0.9359
1	L	I	0.0000
2	T	I	-0.5348
3	Y	I	0.0000
4	T	I	-1.1055
5	D	I	-1.9488
6	C	I	0.0000
7	T	I	-1.2895
8	E	I	-1.9444
9	S	I	-0.8363
10	G	I	-0.9319
11	Q	I	0.0000
12	N	I	0.0000
13	L	I	0.0000
14	C	I	0.0000
15	L	I	0.0000
16	C	I	0.0000
17	E	I	-1.3939
18	G	I	-1.3752
19	S	I	-1.2215
20	N	I	-1.0479
21	V	I	0.0000
22	C	I	0.0000
23	G	I	-1.4055
24	Q	I	-2.3995
25	G	I	-1.8570
26	N	I	-1.4783
27	K	I	-1.3805
28	C	I	0.0000
29	I	I	0.1278
30	L	I	-0.9287
31	G	I	-2.1256
32	S	I	-2.0094
33	D	I	-2.9584
34	G	I	-2.7098
35	E	I	-3.6567
36	K	I	-3.2919
37	N	I	-1.6786
38	Q	I	-1.1907
39	C	I	-0.2107
40	V	I	-0.0995
41	T	I	-0.8501
42	G	I	-1.5183
43	E	I	-2.4144
44	G	I	-1.5829
45	T	I	-0.9943
46	P	I	-0.8445
47	K	I	-1.2181
48	P	I	-1.0078
49	Q	I	-1.5153
50	S	I	-0.9764
54	G	I	-1.7439
55	D	I	-2.6195
56	F	I	-2.1125
57	E	I	-2.5180
58	E	I	-2.8867
59	I	I	0.0000
60	P	I	-1.8549
61	E	I	-2.4554
62	E	I	-2.1959
63	Y	I	-0.6037
64	L	I	-0.1383