Project name: 56dfb2e282b1fc4

Chain sequence(s)	A: TDRQLAEEYLYRYGYTRVASLGPALLLLQKQLSLPETGELDSATLKAMRTPRCGVPDLGRFQTFEGDLKWHHHNITYWIQNYSEDLPRAVIDDAFARAFALWSAVTPLTFTRVYSRDADIVIQFGVAEHGDGYPFDGKDGLLAHAFPPGPGIQGDAHFDDDELWSLGKGQGYSLFLVAAHEFGHALGLDHSSVPEALMYPMYRFTEGPPLHKDDVNGIRHLY; C: DRQLAEEYLYRYGYTRGPALLLLQKQLSLPETGELDSATLKAMRTPRCGVPDLGRFQTFEGDLKWHHHNITYWIQNYSEDLPRAVIDDAFARAFALWSAVTPLTFTRVYSRDADIVIQFGVAEHGDGYPFDGKDGLLAHAFPPGPGIQGDAHFDDDELWSLGKGQGYSLFLVAAHEFGHALGLDHSSVPEALMYPMYRFTEGPPLHKDDVNGIRHLY; B: TDRQLAEEYLYRYGYTRVASLGPALLLLQKQLSLPETGELDSATLKAMRTPRCGVPDLGRFQTFEGDLKWHHHNITYWIQNYSEDLPRAVIDDAFARAFALWSAVTPLTFTRVYSRDADIVIQFGVAEHGDGYPFDGKDGLLAHAFPPGPGIQGDAHFDDDELWSLGKGQGYSLFLVAAHEFGHALGLDHSSVPEALMYPMYRFTEGPPLHKDDVNGIRHLY; I: QVQLQESGPGLVKPSETLSLTCTVSGFSLLSYGVHWVRQPPGKGLEWLGVIWWTGGTTNYNSALMSRFTISKDDSKNTVYLKMNSLKTEDTAIYYCARYYYGMDYWGQGTLVTVSSASTKGPSVFPLAPSTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTKTYTCNVDHKPSNTKVDKRVES; H: QVQLQESGPGLVKPSETLSLTCTVSGFSLLSYGVHWVRQPPGKGLEWLGVIWWTGGTTNYNSALMSRFTISKDDSKNTVYLKMNSLKTEDTAIYYCARYYYGMDYWGQGTLVTVSSASTKGPSVFPLAPSTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTKTYTCNVDHKPSNTKVDKRVES; J: QVQLQESGPGLVKPSETLSLTCTVSGFSLLSYGVHWVRQPPGKGLEWLGVIWTGGTTNYNSALMSRFTISKDDSKNTVYLKMNSLKTEDTAIYYCARYYYGMDYWG; M: DIQMTQSPSSLSASVGDRVTITCKASQDVRNTVAWYQQKPGKAPKLLIYSSSYRNTGVPDRFSGSGSGTDFTLTISSLQAEDVAVYYCQQHYITPYTFGGGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC; L: DIQMTQSPSSLSASVGDRVTITCKASQDVRNTVAWYQQKPGKAPKLLIYSSSYRNTGVPDRFSGSGSGTDFTLTISSLQAEDVAVYYCQQHHYITPYTFGGGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC; N: DIQMTQSPSSLSASVGDRVTITCKASQDVRNTVAWYQQKPGKAPKLLIYSSSYRNTGVPDRFSGSGSGTDFTLTISSLQAEDVAVYYCQQHYITPYTFGGGTKVEI
Selected Chain(s)	A,C,B,I,H,J,M,L,N
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                                        (00:00:02)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:16:13)
[CRITICAL]   pyMol:    Pymol encountered an error: /bin/sh: pymol: command not found Movie         
                       creation failed.                                                            (00:16:14)
[INFO]       Main:     Simulation completed successfully.                                          (00:16:46)

• Minimal score value: -3.9161
• Maximal score value: 1.4386
• Average score: -0.7393
• Total score value: -1269.391

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	D	L	-1.9405
2	I	L	0.0000
3	Q	L	-1.3189
4	M	L	0.0000
5	T	L	-1.1175
6	Q	L	0.0000
7	S	L	-0.7851
8	P	L	-0.8745
9	S	L	-1.0360
10	S	L	-1.1064
11	L	L	-0.6662
12	S	L	-0.9625
13	A	L	-0.9897
14	S	L	-0.7974
15	V	L	0.1410
16	G	L	-0.7733
17	D	L	-1.9130
18	R	L	-2.3980
19	V	L	0.0000
20	T	L	-0.6042
21	I	L	0.0000
22	T	L	-0.8918
23	C	L	0.0000
24	K	L	-2.8546
25	A	L	0.0000
26	S	L	-2.0221
27	Q	L	-2.4230
28	D	L	-2.7965
29	V	L	0.0000
30	R	L	-1.5876
31	N	L	-1.1629
32	T	L	-0.4331
33	V	L	0.0000
34	A	L	0.0000
35	W	L	0.0000
36	Y	L	0.0000
37	Q	L	0.0000
38	Q	L	-1.2747
39	K	L	-1.7852
40	P	L	-1.5918
41	G	L	-1.7398
42	K	L	-2.5813
43	A	L	-1.5894
44	P	L	0.0000
45	K	L	-1.4426
46	L	L	0.0000
47	L	L	0.0000
48	I	L	0.0000
49	Y	L	0.0000
50	S	L	0.0000
51	S	L	0.0000
52	S	L	-0.5559
53	Y	L	-0.1952
54	R	L	-1.3453
55	N	L	-1.0670
56	T	L	-0.7874
57	G	L	-0.8376
58	V	L	-1.0016
59	P	L	-1.2930
60	D	L	-2.1842
61	R	L	-1.5194
62	F	L	0.0000
63	S	L	-0.8321
64	G	L	-0.4585
65	S	L	-0.7165
66	G	L	-1.2793
67	S	L	-1.6102
68	G	L	-2.0393
69	T	L	-2.5307
70	D	L	-2.9784
71	F	L	0.0000
72	T	L	-0.8494
73	L	L	0.0000
74	T	L	-0.5803
75	I	L	0.0000
76	S	L	-1.6220
77	S	L	-1.3362
78	L	L	0.0000
79	Q	L	-1.0626
80	A	L	-1.6030
81	E	L	-2.2457
82	D	L	0.0000
83	V	L	0.0000
84	A	L	0.0000
85	V	L	-0.7238
86	Y	L	0.0000
87	Y	L	0.0000
88	C	L	0.0000
89	Q	L	0.0000
90	Q	L	0.0000
91	H	L	0.0000
92	Y	L	0.3728
93	I	L	0.8288
94	T	L	0.0693
95	P	L	-0.2726
96	Y	L	0.0000
97	T	L	-0.3038
98	F	L	-0.1360
99	G	L	0.0000
100	G	L	-0.9738
101	G	L	0.0000
102	T	L	0.0000
103	K	L	-1.6436
104	V	L	0.0000
105	E	L	-1.7488
106	I	L	0.0000
107	K	L	-1.2745
108	R	L	-0.8406
109	T	L	-0.0780
110	V	L	0.3840
111	A	L	0.1096
112	A	L	-0.0891
113	P	L	0.0000
114	S	L	-0.0889
115	V	L	0.0000
116	F	L	-0.1105
117	I	L	0.0000
118	F	L	0.0000
119	P	L	0.0000
120	P	L	-0.6564
121	S	L	-1.5862
122	D	L	-2.9598
123	E	L	-3.0290
124	Q	L	0.0000
125	L	L	-2.0550
126	K	L	-2.8397
127	S	L	-1.7031
128	G	L	-1.1764
129	T	L	-0.9139
130	A	L	0.0000
131	S	L	0.0000
132	V	L	0.0000
133	V	L	0.0000
134	C	L	0.0000
135	L	L	0.0000
136	L	L	0.0000
137	N	L	0.0000
138	N	L	-0.7368
139	F	L	0.0000
140	Y	L	0.0000
141	P	L	-1.6596
142	R	L	-2.9023
143	E	L	-3.1348
144	A	L	-2.2998
145	K	L	-2.3045
146	V	L	-1.2066
147	Q	L	-0.5640
148	W	L	0.0000
149	K	L	-0.7058
150	V	L	0.0000
151	D	L	-2.0273
152	N	L	-1.6415
153	A	L	-0.4969
154	L	L	0.2322
155	Q	L	-0.6163
156	S	L	-0.8257
157	G	L	-1.7634
158	N	L	-1.8005
159	S	L	-1.4073
160	Q	L	-1.6251
161	E	L	-1.8335
162	S	L	-0.9669
163	V	L	-0.8439
164	T	L	-1.1495
165	E	L	-2.2913
166	Q	L	0.0000
167	D	L	-2.1453
168	S	L	-2.4121
169	K	L	-2.6703
170	D	L	-1.9454
171	S	L	0.0000
172	T	L	0.0000
173	Y	L	0.0000
174	S	L	0.0000
175	L	L	0.0000
176	S	L	0.0000
177	S	L	0.0000
178	T	L	-0.6772
179	L	L	0.0000
180	T	L	-0.6711
181	L	L	-1.0326
182	S	L	-1.2670
183	K	L	-2.3134
184	A	L	-2.1341
185	D	L	-2.9527
186	Y	L	0.0000
187	E	L	-3.9161
188	K	L	-3.8400
189	H	L	-3.2560
190	K	L	-3.4635
191	V	L	-1.6612
192	Y	L	0.0000
193	A	L	0.0000
194	C	L	0.0000
195	E	L	-0.5979
196	V	L	0.0000
197	T	L	-1.1064
198	H	L	0.0000
199	Q	L	-1.7182
200	G	L	-0.4548
201	L	L	-0.2341
202	S	L	-0.4720
203	S	L	-0.3741
204	P	L	-0.4668
205	V	L	0.1762
206	T	L	-0.4233
207	K	L	-0.8695
208	S	L	-0.7001
209	F	L	0.0000
210	N	L	-1.9511
211	R	L	-2.4947
212	G	L	-2.1912
213	E	L	-2.2124
214	C	L	-0.6556
1	Q	H	-1.5615
2	V	H	-1.0794
3	Q	H	-1.8386
4	L	H	0.0000
5	Q	H	-1.8532
6	E	H	0.0000
7	S	H	-0.7513
8	G	H	-0.4619
9	P	H	-0.5558
10	G	H	-0.4214
11	L	H	-0.1943
12	V	H	0.0000
13	K	H	-1.5912
14	P	H	0.0000
15	S	H	-1.5658
16	E	H	-2.1416
17	T	H	-1.6192
18	L	H	0.0000
19	S	H	-0.7583
20	L	H	0.0000
21	T	H	-0.3953
22	C	H	0.0000
23	T	H	-1.0763
24	V	H	0.0000
25	S	H	-1.4013
26	G	H	-1.1648
27	F	H	-0.5708
28	S	H	-0.6661
29	L	H	0.0000
30	L	H	-0.5043
31	S	H	0.0000
32	Y	H	0.2388
33	G	H	0.0271
34	V	H	0.0000
35	H	H	0.0000
36	W	H	0.0000
37	V	H	0.0000
38	R	H	0.0000
39	Q	H	0.0000
40	P	H	-1.0906
41	P	H	-0.9847
42	G	H	-1.5128
43	K	H	-2.2092
44	G	H	-1.3061
45	L	H	0.0000
46	E	H	-0.7706
47	W	H	0.0000
48	L	H	0.0000
49	G	H	0.0000
50	V	H	0.0000
51	I	H	0.0000
52	W	H	0.0000
53	T	H	0.0000
54	G	H	-0.4741
55	G	H	-0.7098
56	T	H	-0.4295
57	T	H	-0.3554
58	N	H	-0.3709
59	Y	H	0.1003
60	N	H	-0.2746
61	S	H	-0.1925
62	A	H	0.2287
63	L	H	0.0000
64	M	H	0.8537
65	S	H	0.1664
66	R	H	0.0000
67	F	H	0.0000
68	T	H	-0.5604
69	I	H	0.0000
70	S	H	-0.5769
71	K	H	-1.0013
72	D	H	-1.5702
73	D	H	-1.7635
74	S	H	-1.6655
75	K	H	-2.4601
76	N	H	-1.8910
77	T	H	-1.2666
78	V	H	0.0000
79	Y	H	-0.0551
80	L	H	0.0000
81	K	H	-1.4248
82	M	H	0.0000
83	N	H	-1.6915
84	S	H	-1.4270
85	L	H	0.0000
86	K	H	-1.8919
87	T	H	-1.4891
88	E	H	-2.1482
89	D	H	0.0000
90	T	H	-0.6583
91	A	H	0.0000
92	I	H	0.2477
93	Y	H	0.0000
94	Y	H	0.0000
95	C	H	0.0000
96	A	H	0.0000
97	R	H	0.0000
98	Y	H	0.3192
99	Y	H	0.0900
100	Y	H	0.1527
101	G	H	0.0000
102	M	H	0.0000
103	D	H	-0.1164
104	Y	H	-0.0652
105	W	H	-0.7512
106	G	H	0.0000
107	Q	H	-1.9677
108	G	H	0.0000
109	T	H	-0.4028
110	L	H	-0.0310
111	V	H	0.0000
112	T	H	-0.3716
113	V	H	0.0000
114	S	H	-0.5841
115	S	H	-0.5429
116	A	H	-0.4145
117	S	H	-0.5537
118	T	H	-0.7922
119	K	H	-1.3625
120	G	H	-1.4829
121	P	H	-0.6741
122	S	H	-0.3081
123	V	H	0.0000
124	F	H	0.0000
125	P	H	-1.3399
126	L	H	0.0000
127	A	H	-0.8847
128	P	H	-0.4648
136	S	H	-0.3596
137	T	H	-0.3432
138	A	H	-0.0710
139	A	H	0.0000
140	L	H	0.0000
141	G	H	0.0000
142	C	H	0.0000
143	L	H	0.0000
144	V	H	0.0000
145	K	H	0.0000
146	D	H	-0.6931
147	Y	H	0.0000
148	F	H	0.0000
149	P	H	0.0000
150	E	H	-0.6728
151	P	H	-0.7102
152	V	H	-0.6434
153	T	H	-0.6335
154	V	H	-0.3583
155	S	H	-0.4777
156	W	H	0.0000
157	N	H	-1.0369
158	S	H	-0.7922
159	G	H	-0.5952
160	A	H	-0.2638
161	L	H	-0.0189
162	T	H	-0.1163
163	S	H	-0.1367
164	G	H	-0.1104
165	V	H	0.2075
166	H	H	-0.2823
167	T	H	0.0361
168	F	H	0.0000
169	P	H	-0.4379
170	A	H	0.0018
171	V	H	-0.1061
172	L	H	-0.0246
173	Q	H	-0.6121
174	S	H	-0.7890
175	S	H	-0.4561
176	G	H	-0.2571
177	L	H	-0.1514
178	Y	H	0.1238
179	S	H	0.0000
180	L	H	0.0254
181	S	H	0.0000
182	S	H	0.0000
183	V	H	0.0000
184	V	H	0.0000
185	T	H	-0.1198
186	V	H	0.0000
187	P	H	-0.2610
188	S	H	-0.1596
189	S	H	-0.3873
190	S	H	-0.4492
191	L	H	-0.2346
192	G	H	-0.8897
193	T	H	-0.9009
194	K	H	-1.6783
195	T	H	-1.5090
196	Y	H	0.0000
197	T	H	-1.9195
198	C	H	0.0000
199	N	H	-1.6859
200	V	H	0.0000
201	D	H	-1.9435
202	H	H	0.0000
203	K	H	-2.8436
204	P	H	-1.6618
205	S	H	-1.8949
206	N	H	-2.6325
207	T	H	-2.1112
208	K	H	-2.6549
209	V	H	-1.4866
210	D	H	-2.7598
211	K	H	-2.4268
212	R	H	-2.9853
213	V	H	0.0000
214	E	H	-2.3595
215	S	H	-0.9695
40	T	A	-1.6342
41	D	A	-3.0735
42	R	A	-3.5229
43	Q	A	-3.3370
44	L	A	-2.3716
45	A	A	0.0000
46	E	A	-3.1200
47	E	A	-3.1140
48	Y	A	0.0000
49	L	A	0.0000
50	Y	A	-0.7769
51	R	A	-2.0582
52	Y	A	0.0000
53	G	A	0.0000
54	Y	A	0.0000
55	T	A	-0.5187
56	R	A	-0.9252
57	V	A	1.0676
58	A	A	0.4158
66	S	A	-0.1433
67	L	A	-0.4920
68	G	A	-0.4032
69	P	A	0.0632
70	A	A	0.0000
71	L	A	0.0000
72	L	A	-0.6804
73	L	A	-0.0115
74	L	A	0.0000
75	Q	A	0.0000
76	K	A	-2.1367
77	Q	A	-1.0497
78	L	A	0.0000
79	S	A	-1.1148
80	L	A	-0.9829
81	P	A	-1.5974
82	E	A	-2.5322
83	T	A	-1.7789
84	G	A	-1.5717
85	E	A	-2.1700
86	L	A	-1.5607
87	D	A	-1.3010
88	S	A	-0.9862
89	A	A	-1.0949
90	T	A	0.0000
91	L	A	-1.7319
92	K	A	-2.2614
93	A	A	0.0000
94	M	A	0.0000
95	R	A	-2.5006
96	T	A	-1.7387
97	P	A	-1.3409
98	R	A	0.0000
99	C	A	0.0000
100	G	A	-0.4204
101	V	A	0.0000
102	P	A	0.0000
103	D	A	0.0000
104	L	A	-0.6410
105	G	A	-1.3342
106	R	A	-2.0852
107	F	A	-0.9356
108	Q	A	-0.9006
109	T	A	-0.8542
110	F	A	0.0000
111	E	A	-1.5410
112	G	A	-1.8919
113	D	A	-2.4700
114	L	A	-1.4767
115	K	A	-1.4165
116	W	A	0.0000
117	H	A	-1.8552
118	H	A	-1.7890
119	H	A	-1.8231
120	N	A	-1.8945
121	I	A	0.0000
122	T	A	-0.6994
123	Y	A	0.0000
124	W	A	0.0000
125	I	A	0.0000
126	Q	A	0.0000
127	N	A	-0.5901
128	Y	A	-0.9344
129	S	A	0.0000
130	E	A	-2.5580
131	D	A	-2.0401
132	L	A	-1.2248
133	P	A	-1.5936
134	R	A	-2.3547
135	A	A	-1.0987
136	V	A	-0.6654
137	I	A	0.0000
138	D	A	-1.3357
139	D	A	-1.4568
140	A	A	0.0000
141	F	A	0.0000
142	A	A	-0.6066
143	R	A	-0.8556
144	A	A	0.0000
145	F	A	0.0000
146	A	A	-0.0969
147	L	A	0.0000
148	W	A	0.0000
149	S	A	-0.1648
150	A	A	0.0000
151	V	A	0.0000
152	T	A	0.0000
153	P	A	-0.7973
154	L	A	0.0000
155	T	A	-0.7018
156	F	A	-0.3279
157	T	A	-0.4347
158	R	A	-0.2275
159	V	A	0.3491
160	Y	A	1.0585
161	S	A	-0.2427
162	R	A	-0.8525
163	D	A	-1.7500
164	A	A	0.0000
165	D	A	-0.9154
166	I	A	0.0000
167	V	A	0.0000
168	I	A	0.0000
169	Q	A	-0.1697
170	F	A	0.0000
171	G	A	0.0000
172	V	A	-0.3593
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