Project name: query_structure

Chain sequence(s)	A: ARPVDVSVSIFINKIYGVNTLEQTYKVDGYIVAQWTGKPRKTPGDKPLIVENTQIERWINNGLWVPALEFINVVGSPDTGNKRLMLFPDGRVIYNARFLGSFSNDMDFRLFPFDRQQFVLELEPFSYNNQQLRFSDIQVYTENIDNEEIDEWWIRGKASTHISDIRYDHLSPNQNEFSRITVRIDAVRNPSYYLWSFILPLGLIIAASWSVFWLESFSERLQTSFTLMLTVVAYAFYTSNILPRLPYTTVIDQMIIAGYGSIFAAILLIIFAHHRQANDDLLIQRCRLAFPLGFLAIGCVLVI; C: VDARPVDVSVSIFINKIYGVNTLEQTYKVDGYIVAQWTGKPRKTPGDKPLIVENTQIERWINNGLWVPALEFINVVGSPDTGNKRLMLFPDGRVIYNARFLGSFSNDMDFRLFPFDRQQFVLELEPFSYNNQQLRFSDIQVYTENIDNEEIDEWWIRGKASTHISDIRYDHLSPNQNEFSRITVRIDAVRNPSYYLWSFILPLGLIIAASWSVFWLESFSERLQTSFTLMLTVVAYAFYTSNILPRLPYTTVIDQMIIAGYGSIFAAILLIIFAHHRQANDDLLIQRCRLAFPLGFLAIGCVLVIRG; B: VDARPVDVSVSIFINKIYGVNTLEQTYKVDGYIVAQWTGKPRKTPGDDKPLIVENTQIERWINNGLWVPALEFINVVGSPDTGNKRLMLFPDGRVIYNARFLGSFSNDMDFRLFPFDRQQFVLELEPFSYNNQQLRFSDIQVYTENIDNEEIDEWWIRGKASTHISDIRYDHLSPNQNEFSRITVRIDAVRNPSYYLWSFILPLGLIIAASWSVFWLESFSERLQTSFTLMLTVVAYAFYTSNILPRLPYTTVIDQMIIAGYGSIFAAILLIIFAHHRQANGDDLLIQRCRLAFPLGFLAIGCVLVIRG; E: ARPVDVSVSIFINKIYGVNTLEQTYKVDGYIVAQWTGKPRKTPGDKPLIVENTQIERWINNGLWVPALEFINVVGSPDTGNKRLMLFPDGRVIYNARFLGSFSNDMDFRLFPFDRQQFVLELEPFSYNNQQLRFSDIQVYTENIDNEEIDEWWIRGKASTHISDIRYDHLSPNQNEFSRITVRIDAVRNPSYYLWSFILPLGLIIAASWSVFWLESFSERLQTSFTLMLTVVAYAFYTSNILPRLPYTTVIDQMIIAGYGSIFAAILLIIFAHHRQANGVDLLIQRCRLAFPLGFLAIGCVLVI; D: VDARPVDVSVSIFINKIYGVNTLEQTYKVDGYIVAQWTGKPRKTPGDKPLIVENTQIERWINNGLWVPALEFINVVGSPDTGNKRLMLFPDGRVIYNARFLGSFSNDMDFRLFPFDRQQFVLELEPFSYNNQQLRFSDIQQVYTENIDNEEIDEWWIRGKASTHISDIRYDHLSVQPNQNEFSRITVRIDAVRNPSYYLWSFILPLGLIIAASWSVFWLESFSERLQTSFTLMLTVVAYAFYTSNILPRLPYTTVIDQMIIAGYGSIFAAILLIIFAHHRQANDLLIQRCRLAFPLGFLAIGCVLV; G: QVQLQESGGGLAQAGGSMRLSCIASGRNFFINIMNWYRQAPGKQRELVAQITRAGTTTYADSVKGRFTISRDNAKNTVYLQMSTLQSEDTAVYYCNVGASWGQGTQVTVSS; F: QVQLQESGGGLAQAGGSMRLSCIASGRNFFINIMNWYRQAPGKQRELVAQITRAGTTTYADSVKGRFTISRDNAKNTVYLQMSTLQSEDTAVYYCNVGASWGQGTQVTVS; I: QVQLQESGGGLAQAGGSMRLSCIASGRNFFINIMNWYRQAPGKQRELVAQITRAGTTTYADSVKGRFTISRDNAKNTVYLQMSTLQSEDTAVYYCNVGASWGQGTQVTVSS; H: QVQLQESGGGLAQAGGSMRLSCIASGRNFFINIMNWYRQAPGKQRELVAQITRAGTTTYADSVKGRFTISRDNAKNTVYLQMSTLQSEDTAVYYCNVGASWGQGTQVTVSSH; J: QVQLQESGGGLAQAGGSMRLSCIASGRNFFINIMNWYRQAPGKQRELVAQITRAGTTTYADSVKGRFTISRDNAKNTVYLQMSTLQSEDTAVYYCNVGASWGQGTQVTVS
Selected Chain(s)	A,C,B,E,D,G,F,I,H,J
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 all chain(s) selected           (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:05)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:43:04)
[INFO]       Main:     Simulation completed successfully.                                          (00:44:45)

• Minimal score value: -3.8887
• Maximal score value: 4.4564
• Average score: -0.4849
• Total score value: -1009.0924

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
9	A	A	-1.0878
10	R	A	-2.1991
11	P	A	-1.5411
12	V	A	-0.6118
13	D	A	-0.6914
14	V	A	0.0000
15	S	A	-0.1647
16	V	A	0.0000
17	S	A	-0.0487
18	I	A	0.0000
19	F	A	-0.1686
20	I	A	0.0000
21	N	A	-1.0549
22	K	A	-0.7013
23	I	A	-0.0637
24	Y	A	-0.2214
25	G	A	-0.4475
26	V	A	-0.2633
27	N	A	-0.7011
28	T	A	-0.3981
29	L	A	-0.0620
30	E	A	-0.7916
31	Q	A	-0.9589
32	T	A	0.0000
33	Y	A	0.0000
34	K	A	-0.6031
35	V	A	0.0000
36	D	A	0.0000
37	G	A	0.0000
38	Y	A	0.2343
39	I	A	0.0000
40	V	A	0.2440
41	A	A	0.0000
42	Q	A	-0.3509
43	W	A	0.0000
44	T	A	-1.3065
45	G	A	-1.6204
46	K	A	-2.5048
47	P	A	-2.4948
48	R	A	-2.4200
49	K	A	-2.9208
50	T	A	0.0000
51	P	A	-1.8356
52	G	A	-2.2501
53	D	A	-3.5663
54	K	A	-3.1247
55	P	A	-1.6429
56	L	A	-0.5472
57	I	A	0.2707
58	V	A	0.0000
59	E	A	-0.6592
60	N	A	-1.1418
61	T	A	-1.1264
62	Q	A	-1.0723
63	I	A	0.0000
64	E	A	-1.7373
65	R	A	-1.7546
66	W	A	-0.7903
67	I	A	-0.6430
68	N	A	-1.4510
69	N	A	-1.6753
70	G	A	-0.8374
71	L	A	-0.3542
72	W	A	0.4610
73	V	A	0.5418
74	P	A	0.0000
75	A	A	0.0170
76	L	A	0.2899
77	E	A	0.0000
78	F	A	0.0000
79	I	A	0.0988
80	N	A	-0.1646
81	V	A	0.0000
82	V	A	-0.1513
83	G	A	-0.4117
84	S	A	-0.6613
85	P	A	-0.6709
86	D	A	-1.0336
87	T	A	-0.7222
88	G	A	-0.6833
89	N	A	-0.7797
90	K	A	-0.8985
91	R	A	-0.4976
92	L	A	0.0000
93	M	A	0.2573
94	L	A	0.0000
95	F	A	-1.8755
96	P	A	-2.9210
97	D	A	-3.2117
98	G	A	0.0000
99	R	A	-1.8903
100	V	A	0.0000
101	I	A	0.1466
102	Y	A	0.2168
103	N	A	0.0000
104	A	A	0.0000
105	R	A	0.0000
106	F	A	0.0000
107	L	A	0.0000
108	G	A	0.0000
109	S	A	-0.4226
110	F	A	0.0000
111	S	A	-0.7741
112	N	A	-1.3742
113	D	A	-2.2388
114	M	A	0.0000
115	D	A	-1.5962
116	F	A	0.0000
117	R	A	0.1928
118	L	A	1.3704
119	F	A	0.0000
120	P	A	0.0000
121	F	A	1.4203
122	D	A	0.0000
123	R	A	-1.4326
124	Q	A	0.0000
125	Q	A	-1.6153
126	F	A	0.0000
127	V	A	0.0000
128	L	A	0.0000
129	E	A	-0.5250
130	L	A	0.0000
131	E	A	0.0000
132	P	A	0.0000
133	F	A	0.0000
134	S	A	0.0000
135	Y	A	-0.3628
136	N	A	0.0000
137	N	A	-1.9125
138	Q	A	-2.3581
139	Q	A	-1.7384
140	L	A	0.0000
141	R	A	-0.9007
142	F	A	0.0000
143	S	A	0.0000
144	D	A	0.0000
145	I	A	0.0000
146	Q	A	0.0000
147	V	A	0.0000
148	Y	A	0.0000
149	T	A	0.0000
150	E	A	-2.8591
151	N	A	-2.6807
152	I	A	-2.6006
153	D	A	-3.8766
154	N	A	-3.6041
155	E	A	-3.8830
156	E	A	-3.2069
157	I	A	-2.2265
158	D	A	-2.4281
159	E	A	-1.1168
160	W	A	0.0000
161	W	A	-1.7327
162	I	A	0.0000
163	R	A	-2.9921
164	G	A	-3.1401
165	K	A	-3.1278
166	A	A	0.0000
167	S	A	-1.6492
168	T	A	-0.8516
169	H	A	-1.0110
170	I	A	0.0000
171	S	A	-1.4009
172	D	A	-2.1947
173	I	A	-1.5778
174	R	A	-2.8024
175	Y	A	-1.7519
176	D	A	-2.3766
177	H	A	-1.5703
178	L	A	-1.1488
179	S	A	-0.9823
183	P	A	-1.1942
184	N	A	-2.4690
185	Q	A	-2.4974
186	N	A	-2.2610
187	E	A	-2.3640
188	F	A	-1.3543
189	S	A	0.0000
190	R	A	-0.7913
191	I	A	0.0000
192	T	A	-0.6800
193	V	A	0.0000
194	R	A	-1.5743
195	I	A	0.0000
196	D	A	-2.1317
197	A	A	0.0000
198	V	A	-0.5375
199	R	A	0.0000
200	N	A	0.0000
201	P	A	0.5343
202	S	A	0.2576
203	Y	A	0.0000
204	Y	A	0.0000
205	L	A	1.5125
206	W	A	1.5314
207	S	A	0.0000
208	F	A	0.0000
209	I	A	1.1420
210	L	A	1.1151
211	P	A	0.0000
212	L	A	0.0000
213	G	A	0.1124
214	L	A	0.2779
215	I	A	0.0000
216	I	A	0.0000
217	A	A	0.1456
218	A	A	0.0000
219	S	A	0.0000
220	W	A	0.3877
221	S	A	0.0000
222	V	A	0.0000
223	F	A	0.0000
224	W	A	-0.5471
225	L	A	0.0000
226	E	A	-1.4920
227	S	A	-1.0025
228	F	A	0.0000
229	S	A	-0.9314
230	E	A	-0.8989
231	R	A	0.0000
232	L	A	0.0000
233	Q	A	-0.6440
234	T	A	0.0000
235	S	A	0.0000
236	F	A	0.0000
237	T	A	-0.1140
238	L	A	0.0000
239	M	A	0.0000
240	L	A	0.0000
241	T	A	0.0000
242	V	A	0.0000
243	V	A	0.0000
244	A	A	0.0698
245	Y	A	0.0000
246	A	A	0.0000
247	F	A	0.0000
248	Y	A	0.0000
249	T	A	0.0000
250	S	A	-0.2055
251	N	A	-0.2418
252	I	A	-0.0564
253	L	A	0.0000
254	P	A	-0.3319
255	R	A	-0.6324
256	L	A	0.0000
257	P	A	0.0000
258	Y	A	0.0000
259	T	A	0.2065
260	T	A	0.0000
261	V	A	1.2072
262	I	A	0.0000
263	D	A	-0.1077
264	Q	A	0.0563
265	M	A	0.0178
266	I	A	0.0000
267	I	A	0.0000
268	A	A	0.1220
269	G	A	0.0000
270	Y	A	0.0000
271	G	A	0.0400
272	S	A	0.0000
273	I	A	0.0000
274	F	A	0.6603
275	A	A	0.7349
276	A	A	0.0000
277	I	A	0.0000
278	L	A	2.0376
279	L	A	1.2606
280	I	A	0.0000
281	I	A	0.5913
282	F	A	0.3765
283	A	A	0.0000
284	H	A	-1.3984
285	H	A	-2.1279
286	R	A	-2.7044
287	Q	A	-2.8542
288	A	A	-1.8828
289	N	A	-2.4034
293	D	A	-1.7987
294	D	A	-0.6101
295	L	A	1.1425
296	L	A	1.5265
297	I	A	0.5467
298	Q	A	0.0000
299	R	A	-0.6120
300	C	A	0.3388
301	R	A	0.0912
302	L	A	1.3711
303	A	A	1.1417
304	F	A	1.1243
305	P	A	1.8305
306	L	A	2.6474
307	G	A	1.7341
308	F	A	2.0326
309	L	A	3.1331
310	A	A	2.6939
311	I	A	3.5575
312	G	A	3.3088
313	C	A	3.6571
314	V	A	4.4434
315	L	A	4.3591
316	V	A	4.3406
317	I	A	3.9339
7	V	B	0.2491
8	D	B	-1.4793
9	A	B	-1.4193
10	R	B	-2.2382
11	P	B	-1.5182
12	V	B	-0.8172
13	D	B	-0.8480
14	V	B	0.0000
15	S	B	0.0000
16	V	B	0.0000
17	S	B	-0.0082
18	I	B	0.0000
19	F	B	-0.0072
20	I	B	0.0000
21	N	B	-0.7113
22	K	B	-0.5420
23	I	B	-0.0787
24	Y	B	-0.2446
25	G	B	-0.4621
26	V	B	-0.1826
27	N	B	-0.5781
28	T	B	-0.2734
29	L	B	0.0382
30	E	B	-0.6923
31	Q	B	-0.8495
32	T	B	0.0000
33	Y	B	0.0000
34	K	B	-0.6032
35	V	B	0.0000
36	D	B	0.0000
37	G	B	0.0000
38	Y	B	0.2949
39	I	B	0.0000
40	V	B	0.2794
41	A	B	0.0000
42	Q	B	-0.3748
43	W	B	0.0000
44	T	B	-1.3411
45	G	B	-1.6425
46	K	B	-2.4472
47	P	B	-2.4625
48	R	B	-2.4092
49	K	B	-2.8587
50	T	B	0.0000
51	P	B	-1.8107
52	G	B	-2.2294
53	D	B	-3.4977
54	K	B	-2.8834
55	P	B	-1.5732
56	L	B	-0.4489
57	I	B	0.2720
58	V	B	0.0000
59	E	B	-0.6931
60	N	B	-1.2310
61	T	B	-1.1688
62	Q	B	-1.0753
63	I	B	0.0000
64	E	B	-1.6965
65	R	B	-1.6758
66	W	B	-0.7072
67	I	B	-0.6328
68	N	B	-1.4664
69	N	B	-1.6573
70	G	B	-0.8374
71	L	B	-0.3730
72	W	B	0.2583
73	V	B	0.4987
74	P	B	0.0000
75	A	B	0.0229
76	L	B	0.2816
77	E	B	0.0000
78	F	B	0.0000
79	I	B	0.1440
80	N	B	0.0000
81	V	B	0.0000
82	V	B	-0.0911
83	G	B	-0.3567
84	S	B	-0.6111
85	P	B	-0.6285
86	D	B	-0.9757
87	T	B	-0.6873
88	G	B	-0.6926
89	N	B	-0.7211
90	K	B	-0.8835
91	R	B	-0.5250
92	L	B	0.0000
93	M	B	0.1054
94	L	B	0.0000
95	F	B	-1.7832
96	P	B	-2.8103
97	D	B	-2.8972
98	G	B	0.0000
99	R	B	-1.8170
100	V	B	0.0000
101	I	B	0.1285
102	Y	B	0.1964
103	N	B	0.0000
104	A	B	0.0000
105	R	B	0.0000
106	F	B	0.0000
107	L	B	-0.3694
108	G	B	0.0000
109	S	B	-0.3886
110	F	B	0.0000
111	S	B	-0.7115
112	N	B	-1.3239
113	D	B	-2.1607
114	M	B	0.0000
115	D	B	-1.4875
116	F	B	0.0000
117	R	B	-0.2985
118	L	B	0.8576
119	F	B	0.0000
120	P	B	0.0000
121	F	B	1.4284
122	D	B	0.0000
123	R	B	-1.3883
124	Q	B	0.0000
125	Q	B	-1.4398
126	F	B	0.0000
127	V	B	0.0000
128	L	B	0.0000
129	E	B	-0.5279
130	L	B	0.0000
131	E	B	0.0000
132	P	B	0.0000
133	F	B	0.0000
134	S	B	-0.0653
135	Y	B	-0.3681
136	N	B	-1.4878
137	N	B	-1.5531
138	Q	B	-1.8388
139	Q	B	-1.4648
140	L	B	0.0000
141	R	B	-0.9967
142	F	B	0.0000
143	S	B	0.0000
144	D	B	0.0000
145	I	B	0.0000
146	Q	B	0.0000
147	V	B	0.0000
148	Y	B	-0.9708
149	T	B	0.0000
150	E	B	-2.2148
151	N	B	-2.3315
152	I	B	-2.3699
153	D	B	-3.5174
154	N	B	-3.8273
155	E	B	-3.7738
156	E	B	-3.1016
157	I	B	-2.2335
158	D	B	-2.3262
159	E	B	-1.0546
160	W	B	0.0000
161	W	B	-1.5449
162	I	B	0.0000
163	R	B	-2.3048
164	G	B	-2.7147
165	K	B	-2.8541
166	A	B	-1.8963
167	S	B	-1.5132
168	T	B	0.0000
169	H	B	-1.1434
170	I	B	0.0000
171	S	B	-1.5301
172	D	B	-2.3302
173	I	B	-1.7374
174	R	B	-2.8699
175	Y	B	-1.7875
176	D	B	-2.4055
177	H	B	-1.5602
178	L	B	-1.1716
179	S	B	-0.9589
183	P	B	-1.1488
184	N	B	-2.2882
185	Q	B	-1.8383
186	N	B	-2.1819
187	E	B	-2.5171
188	F	B	-1.4467
189	S	B	0.0000
190	R	B	-0.9000
191	I	B	0.0000
192	T	B	-0.7227
193	V	B	0.0000
194	R	B	-1.4486
195	I	B	0.0000
196	D	B	-1.6587
197	A	B	0.0000
198	V	B	-0.2472
199	R	B	0.0000
200	N	B	0.0000
201	P	B	0.6955
202	S	B	0.3432
203	Y	B	0.6575
204	Y	B	1.1540
205	L	B	1.6723
206	W	B	1.6083
207	S	B	0.0000
208	F	B	0.0000
209	I	B	1.2264
210	L	B	1.1771
211	P	B	0.0000
212	L	B	0.0000
213	G	B	0.1506
214	L	B	0.3100
215	I	B	0.0000
216	I	B	0.0000
217	A	B	0.1225
218	A	B	0.0000
219	S	B	0.0000
220	W	B	0.3371
221	S	B	0.0000
222	V	B	0.0000
223	F	B	0.0000
224	W	B	-0.6742
225	L	B	0.0000
226	E	B	-1.7365
227	S	B	-1.1264
228	F	B	0.0000
229	S	B	-0.9711
230	E	B	-0.9308
231	R	B	0.0000
232	L	B	0.0000
233	Q	B	-0.6599
234	T	B	0.0000
235	S	B	0.0000
236	F	B	0.0000
237	T	B	-0.1041
238	L	B	0.0000
239	M	B	0.0000
240	L	B	0.1573
241	T	B	0.0000
242	V	B	0.0000
243	V	B	0.0000
244	A	B	0.0589
245	Y	B	0.0000
246	A	B	0.0000
247	F	B	0.0000
248	Y	B	0.0000
249	T	B	0.0000
250	S	B	0.0000
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111	S	I	-0.7675
1	Q	J	-2.1414
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6	E	J	0.0000
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103	Q	J	-1.3484
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108	T	J	-0.3110
109	V	J	0.0000
110	S	J	-0.6630