Project name: 62ccc91f9264099

Chain sequence(s)	H: APLPESGPGVVRPTGTLSLTCTAAYGSISRHFWGWVRQSPQGTLEWIAHMHHLGVKYVNPSLKNRVSISMDTSKNQMSLTLKTVTATDAAKYHCVRMGARMMSDIAFFSFGDWGPGSLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVEP; L: YVLGQSSSMSVAPGQTAKISCWGYYMGTKPVNWYQLKPGRAPSLIISYDDERASGTPARFSGSHSGSTATLTISNVVPADEADYFCQVWDSKYEEIYFGGGTALTVLGQPKAAPSVTLFPPSSEELQANKATLVCLISDFYPGAVTVAWKADSSPVKAGVETTTPSKQSNNKYAASSYLSLTPEQWKSHRSYSCQVTHEGSTVEKTVAP
Selected Chain(s)	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]                                                (00:00:01)
[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                                          (00:05:23)
[INFO]       Main:     Simulation completed successfully.                                          (00:05:28)

• Minimal score value: -3.1741
• Maximal score value: 2.3494
• Average score: -0.5639
• Total score value: -243.03

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
3	Y	L	2.1103
4	V	L	2.3494
5	L	L	0.0000
6	G	L	0.6502
7	Q	L	-0.0140
8	S	L	-0.4739
9	S	L	-0.3715
10	S	L	-0.4090
11	M	L	-0.2302
12	S	L	0.1779
13	V	L	-0.1392
14	A	L	-0.2733
15	P	L	-0.6296
16	G	L	-1.4809
17	Q	L	-1.7325
18	T	L	-1.4592
19	A	L	0.0000
20	K	L	-1.7061
21	I	L	0.0000
22	S	L	-0.4906
23	C	L	0.0000
24	W	L	0.8896
25	G	L	1.3286
26	Y	L	1.5747
27	Y	L	1.5618
28	M	L	0.0000
29	G	L	0.1318
30	T	L	-0.3734
31	K	L	-0.2965
32	P	L	0.0000
33	V	L	0.0000
34	N	L	0.0000
35	W	L	0.0000
36	Y	L	0.0000
37	Q	L	-0.6724
38	L	L	0.0000
39	K	L	-1.6218
40	P	L	-1.6156
41	G	L	-1.8246
42	R	L	-2.3123
43	A	L	-1.2510
44	P	L	0.0000
45	S	L	-0.6350
46	L	L	-0.2954
47	I	L	0.0000
48	I	L	0.0000
49	S	L	-0.9872
50	Y	L	-0.9309
51	D	L	-1.5509
52	D	L	-2.6092
53	E	L	-2.2156
54	R	L	-2.1022
55	A	L	-1.1796
56	S	L	-0.7895
57	G	L	-0.7754
58	T	L	-0.8271
59	P	L	-0.6071
60	A	L	-0.4593
61	R	L	-0.8576
62	F	L	0.0000
63	S	L	-1.2820
64	G	L	0.0000
65	S	L	-1.0589
66	H	L	-0.8870
67	S	L	-0.6145
68	G	L	-0.5443
69	S	L	0.0390
70	T	L	-0.0518
71	A	L	0.0000
72	T	L	-0.8052
73	L	L	0.0000
74	T	L	-0.8481
75	I	L	0.0000
76	S	L	-1.3869
77	N	L	-1.8110
78	V	L	0.0000
79	V	L	0.2998
80	P	L	0.1409
81	A	L	-0.0355
82	D	L	0.0000
83	E	L	0.0000
84	A	L	0.0000
85	D	L	-0.9817
86	Y	L	0.0000
87	F	L	0.0000
88	C	L	0.0000
89	Q	L	0.0000
90	V	L	0.0000
91	W	L	0.0000
92	D	L	0.0000
93	S	L	-1.1106
94	K	L	-1.6251
95	Y	L	-0.3907
95A	E	L	-1.4255
95B	E	L	-0.7462
96	I	L	0.0000
97	Y	L	0.0000
98	F	L	0.0000
99	G	L	0.0000
100	G	L	0.1040
101	G	L	-0.3900
102	T	L	0.0000
103	A	L	-0.4527
104	L	L	0.0000
105	T	L	0.0989
106	V	L	0.0000
106A	L	L	0.7676
107	G	L	-0.3446
108	Q	L	-0.7004
109	P	L	-1.1239
110	K	L	-2.2105
111	A	L	-1.4156
112	A	L	-0.9726
113	P	L	-0.6137
114	S	L	-0.4901
115	V	L	0.0000
116	T	L	-0.6337
117	L	L	0.0000
118	F	L	0.0000
119	P	L	-0.1284
120	P	L	0.0000
121	S	L	-1.0316
122	S	L	-1.6060
123	E	L	-2.6064
124	E	L	0.0000
125	L	L	-2.1018
126	Q	L	-2.4369
127	A	L	-1.9496
128	N	L	-2.6863
129	K	L	-2.5801
130	A	L	0.0000
131	T	L	0.0000
132	L	L	0.0000
133	V	L	0.0000
134	C	L	0.0000
135	L	L	0.0000
136	I	L	0.0000
137	S	L	-0.8382
138	D	L	-1.6709
139	F	L	0.0000
140	Y	L	-1.1725
141	P	L	-0.9945
142	G	L	-0.7044
143	A	L	-0.1511
144	V	L	-0.0402
145	T	L	-0.0928
146	V	L	0.1196
147	A	L	-0.3510
148	W	L	0.0000
149	K	L	-1.1333
150	A	L	-1.2146
151	D	L	-1.3061
152	S	L	-0.9100
153	S	L	-0.8224
154	P	L	-0.9044
155	V	L	-0.8229
156	K	L	-1.6006
157	A	L	-0.7219
158	G	L	-0.3764
159	V	L	0.0675
160	E	L	-0.0751
161	T	L	0.0977
162	T	L	0.0794
163	T	L	-0.1310
164	P	L	-0.2735
165	S	L	-0.5043
166	K	L	-1.2989
167	Q	L	-1.5147
168	S	L	-1.6881
169	N	L	-1.9943
170	N	L	0.0000
171	K	L	-1.7814
172	Y	L	-1.0026
173	A	L	0.0000
174	A	L	0.0000
175	S	L	0.0000
176	S	L	0.0000
177	Y	L	0.0000
178	L	L	0.0000
179	S	L	-0.4780
180	L	L	-1.0874
181	T	L	-1.8247
182	P	L	-2.4649
183	E	L	-3.1741
184	Q	L	-2.3627
185	W	L	0.0000
186	K	L	-3.1556
187	S	L	-2.4101
188	H	L	-2.4050
189	R	L	-2.5149
190	S	L	-1.5364
191	Y	L	0.0000
192	S	L	-0.8896
193	C	L	0.0000
194	Q	L	-0.9924
195	V	L	0.0000
196	T	L	-0.7194
197	H	L	0.0000
198	E	L	-2.3101
199	G	L	-1.4519
200	S	L	-0.9254
201	T	L	-0.7937
202	V	L	-0.7177
203	E	L	-1.9420
204	K	L	-1.4000
205	T	L	-0.6996
206	V	L	-0.2551
207	A	L	-0.8763
208	P	L	-1.1345
2	A	H	0.0543
3	P	H	0.0875
4	L	H	0.6077
5	P	H	-0.0888
6	E	H	0.0000
7	S	H	-0.5499
8	G	H	-0.6390
9	P	H	-0.4840
10	G	H	0.0000
11	V	H	-0.2655
12	V	H	0.0000
13	R	H	-1.9395
14	P	H	-1.1744
15	T	H	-0.8366
16	G	H	0.0000
17	T	H	-0.9219
18	L	H	0.0000
19	S	H	-0.5242
20	L	H	0.0000
21	T	H	-0.2856
22	C	H	0.0000
23	T	H	-0.4719
24	A	H	0.0000
25	A	H	0.5495
26	Y	H	1.1452
27	G	H	-0.1859
28	S	H	-0.9596
29	I	H	0.0000
30	S	H	-1.1262
31	R	H	-2.1940
32	H	H	-1.3479
33	F	H	-0.3858
34	W	H	0.0000
35	G	H	0.0000
36	W	H	0.0000
37	V	H	0.0000
38	R	H	0.0000
39	Q	H	-0.8516
40	S	H	-0.9416
41	P	H	-1.0260
42	Q	H	-1.4233
43	G	H	-1.1348
44	T	H	-0.8314
45	L	H	0.0000
46	E	H	-0.2789
47	W	H	0.0000
48	I	H	0.0000
49	A	H	0.0000
50	H	H	0.0000
51	M	H	0.0000
52	H	H	-0.0663
53	H	H	-0.0976
54	L	H	1.3548
55	G	H	0.4851
56	V	H	0.8655
57	K	H	-0.3705
58	Y	H	-0.6446
59	V	H	-0.9826
60	N	H	-1.0778
61	P	H	-1.1695
62	S	H	-1.0167
63	L	H	0.0000
64	K	H	-2.4301
65	N	H	-2.3857
66	R	H	-1.7366
67	V	H	-1.1410
68	S	H	-0.8438
69	I	H	0.0000
70	S	H	-0.6161
71	M	H	-0.6534
72	D	H	-1.4722
73	T	H	-1.1046
74	S	H	-1.3978
75	K	H	-2.2450
76	N	H	-1.5790
77	Q	H	-1.3187
78	M	H	0.0000
79	S	H	-0.3586
80	L	H	0.0000
81	T	H	-0.4266
82	L	H	0.0000
82A	K	H	-1.3210
82B	T	H	-1.0221
82C	V	H	0.0000
83	T	H	-0.4668
84	A	H	-0.1966
85	T	H	-0.0515
86	D	H	0.0000
87	A	H	-0.0543
88	A	H	0.0000
89	K	H	-0.7030
90	Y	H	0.0000
91	H	H	0.0000
92	C	H	0.0000
93	V	H	0.0000
94	R	H	-1.0331
95	M	H	0.0000
96	G	H	-0.5246
97	A	H	-0.2369
98	R	H	-0.4610
99	M	H	0.3102
100	S	H	-0.5460
100A	D	H	-1.4273
100B	I	H	-0.2169
100C	A	H	-0.3444
100D	F	H	0.0000
100E	F	H	0.0000
100F	S	H	0.0000
100G	F	H	0.0000
101	G	H	-0.6137
102	D	H	-0.8868
103	W	H	0.0000
104	G	H	0.0000
105	P	H	-0.6798
106	G	H	-0.3360
107	S	H	-0.3737
108	L	H	-0.1237
109	V	H	0.0000
110	T	H	-0.1783
111	V	H	-0.3644
112	S	H	-0.6873
113	S	H	-0.8993
114	A	H	-0.5387
115	S	H	-0.6803
116	T	H	-0.8793
117	K	H	-1.1133
118	G	H	-1.4145
119	P	H	-0.7176
120	S	H	-0.3512
121	V	H	0.0000
122	F	H	0.0000
123	P	H	-1.1845
124	L	H	0.0000
125	A	H	-0.8530
126	P	H	-0.6892
127	S	H	-0.7905
128	S	H	-1.3558
129	K	H	-2.0011
130	S	H	-1.1805
131	T	H	-0.9697
132	S	H	-0.9057
133	G	H	-1.0843
134	G	H	-0.9400
135	T	H	-0.8793
136	A	H	0.0000
137	A	H	0.0000
138	L	H	0.0000
139	G	H	0.0000
140	C	H	0.0000
141	L	H	0.0000
142	V	H	0.0000
143	K	H	-0.3364
144	D	H	-0.4216
145	Y	H	0.0000
146	F	H	0.0000
147	P	H	0.0000
148	E	H	-0.2619
149	P	H	-0.5992
150	V	H	0.0000
151	T	H	-0.6907
152	V	H	-0.3639
153	S	H	-0.2908
154	W	H	0.0000
155	N	H	-0.7875
156	S	H	-0.5690
157	G	H	-0.4659
158	A	H	-0.2131
159	L	H	0.0022
160	T	H	-0.1927
161	S	H	-0.2780
162	G	H	-0.3430
163	V	H	0.1826
164	H	H	-0.0727
165	T	H	-0.0045
166	F	H	0.0000
167	P	H	-0.0325
168	A	H	0.3197
169	V	H	0.0000
170	L	H	1.2629
171	Q	H	0.3034
172	S	H	-0.1781
173	S	H	-0.2212
174	G	H	-0.0291
175	L	H	0.1248
176	Y	H	0.3858
177	S	H	0.0000
178	L	H	0.0000
179	S	H	0.0000
180	S	H	0.0000
181	V	H	0.1581
182	V	H	0.0000
183	T	H	-0.2405
184	V	H	0.0000
185	P	H	-0.6324
186	S	H	-0.5770
187	S	H	-0.5353
188	S	H	0.0000
189	L	H	-0.5898
190	G	H	-0.8502
191	T	H	-0.6242
192	Q	H	-0.8891
193	T	H	-1.0862
194	Y	H	0.0000
195	I	H	-1.4121
196	C	H	0.0000
197	N	H	0.0000
198	V	H	0.0000
199	N	H	-2.0807
200	H	H	0.0000
201	K	H	-2.8262
202	P	H	-1.6066
203	S	H	-1.8178
204	N	H	-2.5764
205	T	H	-2.1326
206	K	H	-2.7525
207	V	H	-1.7028
208	D	H	-2.3885
209	K	H	-2.3874
210	R	H	-2.8102
211	V	H	0.0000
212	E	H	-2.4476
213	P	H	-1.3269