Project name: c5695bf6685fe31

Chain sequence(s)	R: LHCVGDTYPSNDRCCHECRPGNGMVSRCSRSQNTVCRPCGPGFYNDVVSSKPCKPCTWCNLRSGSERKQLCTATQDTVCRCRAGTQPLDSYKPGVDCAPCPPGHFSPGDNQACKPWTNCTLAGKHTLQPASNSSDAIC; T: LHCVGDTYPSNDRCCHECRPGNGMVSRCSRSQNTVCRPCGPGFYNDVVSSKPCKPCTWCNLRSGSERKQLCTATQDTVCRCRAGTQPLDSYKPGVDCAPCPPGHFSPGDNQACKPWTNCTLATLQPASNSSDAIC; G: DPPIQRLRGAVTRCEDGQLFISSYKNEYQTMEVQNNSVVIKCDGLYIIYLKGSFFQEVKIDLHFREDHNPISIPMLNDGRRIVFTVVASLAFKDKVYLTVNAPDTLCEHLQINDGELIVVQLTPGYCAPEGSYH; F: DPPIQRLRGAVTRCEDGQLFISSYKNEYQTMEVQNNSVVIKCDGLYIIYLKGSFFQEVKIDLHFREDHNPISIPMLNDGRRIVFTVVASLAFKDKVYLTVNAPDTLCEHLQINDGELIVVQLTPGYCAPEGSYHS
Selected Chain(s)	R,T,G,F
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                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:08:00)
[INFO]       Main:     Simulation completed successfully.                                          (00:08:07)

• Minimal score value: -3.7614
• Maximal score value: 2.1979
• Average score: -0.6422
• Total score value: -348.0808

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
57	D	F	-1.6888
58	P	F	-0.7577
59	P	F	0.2383
60	I	F	1.8308
61	Q	F	0.0000
62	R	F	0.3227
63	L	F	0.0000
64	R	F	-0.7857
65	G	F	0.0000
66	A	F	-0.7902
67	V	F	0.0000
68	T	F	-1.5677
69	R	F	-2.4096
70	C	F	0.0000
71	E	F	-3.3017
72	D	F	-3.2325
73	G	F	-2.4071
74	Q	F	-1.6715
75	L	F	0.0000
76	F	F	-0.8603
77	I	F	0.0000
78	S	F	-0.3702
79	S	F	-0.7504
80	Y	F	-0.8991
81	K	F	-2.2504
82	N	F	-2.2574
83	E	F	-1.9875
84	Y	F	-0.1453
85	Q	F	-0.8832
86	T	F	-0.2835
87	M	F	0.0000
88	E	F	-1.1244
89	V	F	-0.9492
90	Q	F	-1.7455
91	N	F	-1.8162
92	N	F	-1.4181
93	S	F	0.0000
94	V	F	0.0000
95	V	F	-0.6741
96	I	F	0.0000
97	K	F	-0.6843
98	C	F	0.0000
99	D	F	-0.3755
100	G	F	0.4298
101	L	F	1.1924
102	Y	F	0.0000
103	I	F	1.6956
104	I	F	0.0000
105	Y	F	0.8555
106	L	F	0.0000
107	K	F	-0.7450
108	G	F	0.0000
109	S	F	-2.0177
110	F	F	0.0000
111	F	F	0.3375
112	Q	F	-1.0180
113	E	F	-2.6639
114	V	F	0.0000
115	K	F	-2.4125
116	I	F	0.0000
117	D	F	0.0000
118	L	F	0.0000
119	H	F	0.0000
120	F	F	0.0000
121	R	F	-2.2968
122	E	F	-3.1872
123	D	F	-2.9311
124	H	F	-2.1081
125	N	F	-1.7952
126	P	F	-0.7371
127	I	F	0.1991
128	S	F	-0.5128
129	I	F	0.0000
130	P	F	-0.4109
131	M	F	-1.2540
132	L	F	-0.8490
133	N	F	-1.8733
134	D	F	-2.2736
135	G	F	-2.2762
136	R	F	-2.7858
137	R	F	-2.4118
138	I	F	0.0000
139	V	F	0.7752
140	F	F	0.6368
141	T	F	0.9059
142	V	F	1.2770
143	V	F	2.1205
144	A	F	1.1000
145	S	F	0.3924
146	L	F	0.0000
147	A	F	0.0000
148	F	F	-0.0932
149	K	F	-0.4648
150	D	F	0.0000
151	K	F	-1.2367
152	V	F	0.0000
153	Y	F	-0.4073
154	L	F	0.0000
155	T	F	-0.9912
156	V	F	0.0000
157	N	F	-1.7249
158	A	F	-1.2459
159	P	F	-1.4692
160	D	F	-3.0882
161	T	F	-1.7509
162	L	F	-1.5288
163	C	F	0.0000
164	E	F	-3.7614
165	H	F	-2.6754
166	L	F	0.0000
167	Q	F	-1.9747
168	I	F	0.0000
169	N	F	-2.5792
170	D	F	-2.7592
171	G	F	-1.9756
172	E	F	-1.0700
173	L	F	0.0000
174	I	F	0.1049
175	V	F	0.0000
176	V	F	1.2050
177	Q	F	0.0000
178	L	F	1.8047
179	T	F	0.7347
180	P	F	0.0119
181	G	F	-0.2943
182	Y	F	-0.3331
183	C	F	-0.5451
184	A	F	-0.5831
185	P	F	-1.0542
186	E	F	-2.2103
187	G	F	-1.4496
188	S	F	0.0000
189	Y	F	-0.3652
190	H	F	-0.7496
191	S	F	-0.4165
57	D	G	-1.7325
58	P	G	-0.8425
59	P	G	0.0671
60	I	G	1.5357
61	Q	G	0.0000
62	R	G	0.1402
63	L	G	0.0000
64	R	G	-0.7301
65	G	G	0.0000
66	A	G	-0.6728
67	V	G	0.0000
68	T	G	-1.4704
69	R	G	-2.2662
70	C	G	0.0000
71	E	G	-3.0981
72	D	G	-3.1223
73	G	G	-2.2976
74	Q	G	-1.6012
75	L	G	0.0000
76	F	G	-0.7005
77	I	G	0.0000
78	S	G	-0.3157
79	S	G	-0.7973
80	Y	G	-1.0330
81	K	G	-2.4175
82	N	G	-2.5791
83	E	G	-2.1435
84	Y	G	-0.2597
85	Q	G	-1.1436
86	T	G	-0.5232
87	M	G	-0.8590
88	E	G	-2.1719
89	V	G	-1.4556
90	Q	G	-1.9452
91	N	G	-1.8859
92	N	G	-1.4924
93	S	G	0.0000
94	V	G	0.0000
95	V	G	0.0000
96	I	G	0.0000
97	K	G	-1.3190
98	C	G	0.0000
99	D	G	-0.5082
100	G	G	0.1318
101	L	G	1.1286
102	Y	G	0.0000
103	I	G	1.6949
104	I	G	0.0000
105	Y	G	0.8976
106	L	G	0.0000
107	K	G	-0.8812
108	G	G	0.0000
109	S	G	-1.8467
110	F	G	0.0000
111	F	G	0.2773
112	Q	G	-1.2822
113	E	G	-3.0466
114	V	G	0.0000
115	K	G	-2.5260
116	I	G	0.0000
117	D	G	0.0000
118	L	G	0.0000
119	H	G	0.0000
120	F	G	0.0000
121	R	G	-2.2158
122	E	G	-3.1585
123	D	G	-3.1942
124	H	G	-2.3262
125	N	G	-1.9459
126	P	G	-0.8867
127	I	G	0.2099
128	S	G	-0.5172
129	I	G	0.0000
130	P	G	-0.1806
131	M	G	-1.1720
132	L	G	-1.1054
133	N	G	-2.7955
134	D	G	-3.2051
135	G	G	-2.9438
136	R	G	-2.9748
137	R	G	-2.5681
138	I	G	0.0000
139	V	G	0.8054
140	F	G	0.6155
141	T	G	0.8993
142	V	G	1.2368
143	V	G	2.0067
144	A	G	1.0309
145	S	G	0.3511
146	L	G	0.0000
147	A	G	0.0000
148	F	G	0.0000
149	K	G	-0.7013
150	D	G	0.0000
151	K	G	-1.3289
152	V	G	0.0000
153	Y	G	-0.3891
154	L	G	0.0000
155	T	G	-0.9679
156	V	G	0.0000
157	N	G	-1.7553
158	A	G	-1.1581
159	P	G	-1.2966
160	D	G	-2.8290
161	T	G	-1.3670
162	L	G	-0.9020
163	C	G	0.0000
164	E	G	-3.4906
165	H	G	-2.4290
166	L	G	0.0000
167	Q	G	-1.9619
168	I	G	0.0000
169	N	G	-2.6270
170	D	G	-2.7870
171	G	G	-1.9481
172	E	G	-0.8932
173	L	G	0.0000
174	I	G	0.2719
175	V	G	0.0000
176	V	G	1.1916
177	Q	G	0.0000
178	L	G	1.5826
179	T	G	0.6118
180	P	G	0.1369
181	G	G	-0.3321
182	Y	G	-0.2131
183	C	G	-0.6623
184	A	G	0.0000
185	P	G	-1.2526
186	E	G	-2.0043
187	G	G	-1.4086
188	S	G	0.0000
189	Y	G	-0.2766
190	H	G	-0.6442
29	L	R	0.4327
30	H	R	-0.4311
31	C	R	0.0000
32	V	R	0.8539
33	G	R	-0.3963
34	D	R	-1.4909
35	T	R	-0.8203
36	Y	R	0.0000
37	P	R	0.0000
38	S	R	-1.1496
39	N	R	-1.9055
40	D	R	-2.2957
41	R	R	-1.5613
42	C	R	-0.4977
43	C	R	0.0000
44	H	R	-1.7111
45	E	R	0.0000
46	C	R	0.0000
47	R	R	-2.3076
48	P	R	-1.2517
49	G	R	-1.1476
50	N	R	-1.3350
51	G	R	0.0000
52	M	R	0.0000
53	V	R	0.7289
54	S	R	-0.0514
55	R	R	-0.5186
56	C	R	0.0000
57	S	R	-1.9184
58	R	R	-2.8423
59	S	R	-1.9523
60	Q	R	-2.2768
61	N	R	-2.1822
62	T	R	-0.7197
63	V	R	-0.1491
64	C	R	-0.8420
65	R	R	-1.7979
66	P	R	-1.3942
67	C	R	-0.8007
68	G	R	-0.6993
69	P	R	-0.2820
70	G	R	-0.1545
71	F	R	-0.0149
72	Y	R	0.0000
73	N	R	0.0000
74	D	R	-1.7239
75	V	R	-0.4079
76	V	R	-0.6861
77	S	R	-0.7519
78	S	R	-0.5419
79	K	R	-0.6208
80	P	R	-0.7222
81	C	R	-1.0776
82	K	R	-1.5463
83	P	R	-0.4980
84	C	R	0.2272
85	T	R	0.5925
86	W	R	1.3337
87	C	R	0.2178
88	N	R	-0.4518
89	L	R	-0.5726
90	R	R	-1.8507
91	S	R	-1.1324
92	G	R	0.0000
93	S	R	0.0000
94	E	R	0.0000
95	R	R	-0.5892
96	K	R	-1.5181
97	Q	R	-0.9511
98	L	R	0.4270
99	C	R	0.5350
100	T	R	-0.1121
101	A	R	-0.6180
102	T	R	-0.9993
103	Q	R	-0.8729
104	D	R	0.0000
105	T	R	0.3599
106	V	R	-0.1251
107	C	R	0.0000
108	R	R	-1.7400
109	C	R	0.0000
110	R	R	-1.1313
111	A	R	-1.3763
112	G	R	0.0000
113	T	R	0.0000
114	Q	R	-0.9650
115	P	R	-0.6994
116	L	R	0.4585
117	D	R	-1.0110
118	S	R	-0.5797
119	Y	R	-0.5024
120	K	R	-0.7827
121	P	R	-0.7984
122	G	R	0.0000
123	V	R	-0.1824
124	D	R	-0.9012
125	C	R	0.0000
126	A	R	-0.1776
127	P	R	-0.4052
128	C	R	0.0000
129	P	R	-0.8027
130	P	R	-0.5978
131	G	R	-0.8054
132	H	R	-1.2511
133	F	R	0.0000
134	S	R	0.0000
135	P	R	-1.4516
136	G	R	0.0000
137	D	R	-2.4901
138	N	R	-1.6629
139	Q	R	-1.8751
140	A	R	-0.9847
141	C	R	-1.2641
142	K	R	-1.9928
143	P	R	-1.2102
144	W	R	-0.6032
145	T	R	-0.3878
146	N	R	-0.9564
147	C	R	0.0000
148	T	R	-0.4951
149	L	R	0.5780
150	A	R	-0.2461
151	G	R	-0.9863
152	K	R	-1.6534
153	H	R	-1.1267
154	T	R	0.0908
155	L	R	1.4689
156	Q	R	0.8488
157	P	R	0.2543
158	A	R	-0.2726
159	S	R	-0.6752
160	N	R	-1.2380
161	S	R	0.0000
162	S	R	-0.8222
163	D	R	-0.6820
164	A	R	0.4747
165	I	R	1.1761
166	C	R	0.6348
29	L	T	0.3110
30	H	T	-0.2260
31	C	T	0.0000
32	V	T	0.6986
33	G	T	-0.8057
34	D	T	-1.7263
35	T	T	0.0000
36	Y	T	0.0000
37	P	T	0.0000
38	S	T	0.0000
39	N	T	-1.6844
40	D	T	-1.8290
41	R	T	0.0000
42	C	T	-0.1643
43	C	T	0.0000
44	H	T	-0.9449
45	E	T	0.0000
46	C	T	0.0000
47	R	T	-1.8436
48	P	T	-1.0865
49	G	T	0.0000
50	N	T	0.0000
51	G	T	0.0000
52	M	T	0.0000
53	V	T	1.3509
54	S	T	0.4564
55	R	T	0.0529
56	C	T	0.0000
57	S	T	-1.6927
58	R	T	-2.6140
59	S	T	-1.6732
60	Q	T	-1.7238
61	N	T	-1.4512
62	T	T	-0.1732
63	V	T	0.2070
64	C	T	-0.3885
65	R	T	-1.4758
66	P	T	-1.2358
67	C	T	0.0000
68	G	T	-0.4952
69	P	T	0.1059
70	G	T	-0.0052
71	F	T	0.3210
72	Y	T	0.0000
73	N	T	0.0000
74	D	T	-1.7144
75	V	T	-0.7730
76	V	T	-0.6764
77	S	T	0.0000
78	S	T	-0.3038
79	K	T	-0.3362
80	P	T	-0.3469
81	C	T	-0.5103
82	K	T	-0.8697
83	P	T	-0.1999
84	C	T	0.0000
85	T	T	0.6602
86	W	T	1.0374
87	C	T	-0.5146
88	N	T	-0.6210
89	L	T	-0.2527
90	R	T	-1.4921
91	S	T	-1.1056
92	G	T	0.0000
93	S	T	0.0000
94	E	T	-3.1770
95	R	T	-3.0526
96	K	T	-3.4109
97	Q	T	-1.9493
98	L	T	0.2931
99	C	T	0.1987
100	T	T	0.0300
101	A	T	-0.4931
102	T	T	-0.8991
103	Q	T	-0.9221
104	D	T	0.0000
105	T	T	0.0000
106	V	T	-1.1896
107	C	T	0.0000
108	R	T	-3.0328
109	C	T	0.0000
110	R	T	-2.0169
111	A	T	-1.3034
112	G	T	0.0000
113	T	T	-1.0534
114	Q	T	-1.1189
115	P	T	-0.9474
116	L	T	0.2242
117	D	T	-1.3515
118	S	T	-0.6883
119	Y	T	-0.1749
120	K	T	-0.9908
121	P	T	-1.0410
122	G	T	0.0000
123	V	T	-0.7844
124	D	T	-1.2047
125	C	T	0.0000
126	A	T	-0.3789
127	P	T	-0.6113
128	C	T	0.0000
129	P	T	-0.7584
130	P	T	-0.6042
131	G	T	-0.8375
132	H	T	-1.0370
133	F	T	-1.0627
134	S	T	0.0000
135	P	T	-1.3710
136	G	T	0.0000
137	D	T	-3.0536
138	N	T	-1.8091
139	Q	T	-1.9146
140	A	T	-1.0264
141	C	T	-1.0039
142	K	T	-1.4978
143	P	T	-1.0006
144	W	T	-0.6462
145	T	T	-0.1777
146	N	T	-0.4901
147	C	T	0.7195
148	T	T	0.4416
149	L	T	1.2511
150	A	T	0.6191
154	T	T	1.0255
155	L	T	1.8874
156	Q	T	0.3949
157	P	T	-0.0227
158	A	T	-0.3653
159	S	T	-0.8375
160	N	T	-1.0945
161	S	T	-0.8400
162	S	T	-0.6891
163	D	T	-0.5757
164	A	T	0.6854
165	I	T	2.1979
166	C	T	1.8062