Project name: 47a53adef99a8e8

Chain sequence(s)	A: SYELTQPPSVSVAPGQTARISCSGDNIGGTFVSWYQQKPGQAPVLVIYDDNDRPSGIPERFSGSNSGNTATLTISGTQAEDEADYYCGTWDMVTNNVFGGGTKLTVLGQPKAAPSVTLFPPSSEELQANKATLVCLISDFYPGAVTVAWKADSSPVKAGVETTTPSKQSNNKYAASSYLSLTPEQWKSHRSYSCQVTHEGSTVEKTVAPT; H: QVQLVESGGGLVQPGGSLRLSCAASGFTFNSYWINWVRQAPGKGLEWVSGIAYDSSNTLYADSVKGRFTISRDNSKNTLYLQMNSLRAEDTAVYYCARGLGAFHWDMQPDYWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEP; B: QVQLVESGGGLVQPGGSLRLSCAASGFTFNSYWINWVRQAPGKGLEWVSGIAYDSSNTLYADSVKGRFTISRDNSKNTLYLQMNSLRAEDTAVYYCARGLGAFHWDMQPDYWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEP; L: SYELTQPPSVSVAPGQTARISCSGDNIGGTFVSWYQQKPGQAPVLVIYDDNDRPSGIPERFSGSNSGNTATLTISGTQAEDEADYYCGTWDMVTNNVFGGGTKLTVLGQPKAAPSVTLFPPSSEELQANKATLVCLISDFYPGAVTVAWKADSSPVKAGVETTTPSKQSNNKYAASSYLSLTPEQWKSHRSYSCQVTHEGSTVEKTVAPT
Selected Chain(s)	A,H,B,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                                          (00:10:22)
[INFO]       Main:     Simulation completed successfully.                                          (00:10:36)

• Minimal score value: -3.3148
• Maximal score value: 2.1926
• Average score: -0.6633
• Total score value: -573.1018

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	S	L	-0.3904
2	Y	L	-0.9799
3	E	L	-2.1094
4	L	L	0.0000
5	T	L	-0.7650
6	Q	L	-0.6713
7	P	L	-0.5020
8	P	L	-0.6925
9	S	L	-0.5965
10	V	L	-0.5733
11	S	L	-0.3699
12	V	L	0.0000
13	A	L	-0.4134
14	P	L	-0.9723
15	G	L	-1.6102
16	Q	L	-2.0359
17	T	L	-1.5901
18	A	L	0.0000
19	R	L	-2.0386
20	I	L	0.0000
21	S	L	-0.7908
22	C	L	0.0000
23	S	L	-1.5550
24	G	L	-2.3322
25	D	L	-3.3148
26	N	L	-3.0348
27	I	L	0.0000
28	G	L	-1.5585
29	G	L	-1.0662
30	T	L	0.1504
31	F	L	1.3611
32	V	L	0.0000
33	S	L	0.0000
34	W	L	0.0000
35	Y	L	0.0000
36	Q	L	-0.1954
37	Q	L	-0.7594
38	K	L	-1.4730
39	P	L	-1.4792
40	G	L	-1.4752
41	Q	L	-1.7837
42	A	L	-0.7553
43	P	L	0.0000
44	V	L	1.3526
45	L	L	0.0000
46	V	L	0.0000
47	I	L	0.0000
48	Y	L	-0.7525
49	D	L	-0.7998
50	D	L	-1.1029
51	N	L	-2.1706
52	D	L	-2.4028
53	R	L	-2.0746
54	P	L	-0.7871
55	S	L	-0.9085
56	G	L	-0.8139
57	I	L	-0.5923
58	P	L	-1.1971
59	E	L	-2.1783
60	R	L	-1.4190
61	F	L	0.0000
62	S	L	-1.5192
63	G	L	-1.4670
64	S	L	-1.0771
65	N	L	-1.0692
66	S	L	-1.2953
67	G	L	-2.1144
68	N	L	-2.8002
69	T	L	-1.5327
70	A	L	0.0000
71	T	L	-0.8706
72	L	L	0.0000
73	T	L	-0.9741
74	I	L	0.0000
75	S	L	-1.5354
76	G	L	-1.4658
77	T	L	0.0000
78	Q	L	-1.8518
79	A	L	-1.2193
80	E	L	-2.0696
81	D	L	0.0000
82	E	L	-1.3729
83	A	L	0.0000
84	D	L	-1.1128
85	Y	L	0.0000
86	Y	L	0.0000
87	C	L	0.0000
88	G	L	0.0000
89	T	L	0.0000
90	W	L	1.1148
91	D	L	1.2869
92	M	L	1.9197
93	V	L	2.1926
94	T	L	0.6453
95	N	L	0.9476
96	N	L	0.0000
97	V	L	-0.0763
98	F	L	-0.3033
99	G	L	0.0000
100	G	L	-1.2382
101	G	L	0.0000
102	T	L	0.0000
103	K	L	-1.1245
104	L	L	0.0000
105	T	L	-0.2736
106	V	L	0.0000
107	L	L	0.7579
108	G	L	-0.5560
109	Q	L	-1.3188
110	P	L	-1.2738
111	K	L	-2.1054
112	A	L	-1.3750
113	A	L	-0.8770
114	P	L	0.0000
115	S	L	-0.4714
116	V	L	0.0000
117	T	L	-0.5883
118	L	L	0.0000
119	F	L	0.0000
120	P	L	-0.1418
121	P	L	0.0000
122	S	L	-0.8679
123	S	L	-1.3935
124	E	L	-2.1652
125	E	L	0.0000
126	L	L	-1.7804
127	Q	L	-2.1837
128	A	L	-1.7327
129	N	L	-2.4523
130	K	L	-2.2425
131	A	L	0.0000
132	T	L	0.0000
133	L	L	0.0000
134	V	L	0.0000
135	C	L	0.0000
136	L	L	0.0000
137	I	L	0.0000
138	S	L	-0.7845
139	D	L	-1.6424
140	F	L	0.0000
141	Y	L	-1.6302
142	P	L	-1.2874
143	G	L	-1.0662
144	A	L	-0.2969
145	V	L	-0.1575
146	T	L	-0.1033
147	V	L	0.1515
148	A	L	-0.3753
149	W	L	0.0000
150	K	L	-1.0346
151	A	L	0.0000
152	D	L	-1.2912
153	S	L	-0.7125
154	S	L	-0.6272
155	P	L	-0.8378
156	V	L	-0.7960
157	K	L	-1.6155
158	A	L	-0.7439
159	G	L	-0.5408
160	V	L	-0.3026
161	E	L	-0.3227
162	T	L	0.0492
163	T	L	0.0218
164	T	L	-0.2256
165	P	L	-0.6093
166	S	L	-1.2080
167	K	L	-2.5088
168	Q	L	-2.1457
169	S	L	-1.7806
170	N	L	-2.3696
171	N	L	-2.8002
172	K	L	-2.4641
173	Y	L	-1.5614
174	A	L	0.0000
175	A	L	0.0000
176	S	L	0.0000
177	S	L	0.0000
178	Y	L	0.0000
179	L	L	0.0000
180	S	L	-0.3377
181	L	L	-0.9748
182	T	L	-1.6959
183	P	L	-2.3168
184	E	L	-3.1405
185	Q	L	-2.6151
186	W	L	0.0000
187	K	L	-3.2174
188	S	L	-2.4959
189	H	L	-2.5017
190	R	L	-2.6283
191	S	L	-1.5151
192	Y	L	0.0000
193	S	L	0.0000
194	C	L	0.0000
195	Q	L	-0.7957
196	V	L	0.0000
197	T	L	-0.6259
198	H	L	0.0000
199	E	L	-2.2747
200	G	L	-1.4522
201	S	L	-0.8246
202	T	L	-0.6054
203	V	L	-0.4344
204	E	L	-1.4996
205	K	L	-1.3364
206	T	L	-0.7190
207	V	L	-0.2606
208	A	L	-0.8234
209	P	L	-1.0557
210	T	L	-0.5659
1	Q	H	-1.5235
2	V	H	-0.8798
3	Q	H	-1.1823
4	L	H	0.0000
5	V	H	0.1994
6	E	H	0.0000
7	S	H	-0.0025
8	G	H	0.0000
9	G	H	0.1710
10	G	H	0.3097
11	L	H	0.1755
12	V	H	-0.6721
13	Q	H	-1.5679
14	P	H	-1.6782
15	G	H	-1.3451
16	G	H	-1.1527
17	S	H	-1.2601
18	L	H	0.0000
19	R	H	-1.5161
20	L	H	0.0000
21	S	H	-0.2854
22	C	H	0.0000
23	A	H	-0.2954
24	A	H	0.0000
25	S	H	-0.9775
26	G	H	-1.0724
27	F	H	-0.5756
28	T	H	-0.5559
29	F	H	0.0000
30	N	H	-1.8803
31	S	H	-0.6419
32	Y	H	-0.0293
33	W	H	0.0000
34	I	H	0.0000
35	N	H	0.0000
36	W	H	0.0000
37	V	H	0.0000
38	R	H	0.0000
39	Q	H	-0.6668
40	A	H	-1.0467
41	P	H	-0.8603
42	G	H	-1.5063
43	K	H	-2.2638
44	G	H	-1.4540
45	L	H	0.0000
46	E	H	-0.9128
47	W	H	0.0000
48	V	H	0.0000
49	S	H	0.0000
50	G	H	0.0000
51	I	H	0.0000
52	A	H	0.0000
53	Y	H	-0.6728
54	D	H	-1.4966
55	S	H	-1.2592
56	S	H	-0.9253
57	N	H	-1.0083
58	T	H	-0.2800
59	L	H	-0.3225
60	Y	H	-0.7843
61	A	H	-1.3453
62	D	H	-2.4024
63	S	H	-1.7216
64	V	H	0.0000
65	K	H	-2.5332
66	G	H	-1.7437
67	R	H	-1.2837
68	F	H	0.0000
69	T	H	-0.7492
70	I	H	0.0000
71	S	H	-0.4613
72	R	H	-1.1853
73	D	H	-1.6437
74	N	H	-2.0289
75	S	H	-1.5603
76	K	H	-2.0096
77	N	H	-1.6930
78	T	H	-1.0657
79	L	H	0.0000
80	Y	H	-0.3972
81	L	H	0.0000
82	Q	H	-1.0430
83	M	H	0.0000
84	N	H	-1.4147
85	S	H	-1.2741
86	L	H	0.0000
87	R	H	-2.1960
88	A	H	-1.7080
89	E	H	-2.1843
90	D	H	0.0000
91	T	H	-0.5385
92	A	H	0.0000
93	V	H	0.6017
94	Y	H	0.0000
95	Y	H	0.0000
96	C	H	0.0000
97	A	H	0.0000
98	R	H	0.0000
99	G	H	0.0000
100	L	H	0.5060
101	G	H	0.4405
102	A	H	0.3625
103	F	H	0.8708
104	H	H	0.6988
105	W	H	1.4904
106	D	H	0.6570
107	M	H	0.0000
108	Q	H	0.0000
109	P	H	0.0000
110	D	H	0.6440
111	Y	H	1.0238
112	W	H	0.3035
113	G	H	0.0000
114	Q	H	-1.3127
115	G	H	-0.2704
116	T	H	0.4950
117	L	H	1.2584
118	V	H	0.0000
119	T	H	-0.0952
120	V	H	0.0000
121	S	H	-0.9738
122	S	H	-0.8596
123	A	H	-0.6049
124	S	H	-0.7572
125	T	H	-0.8728
126	K	H	-1.5206
127	G	H	-1.0307
128	P	H	0.0000
129	S	H	-0.3184
130	V	H	0.0000
131	F	H	0.0000
132	P	H	-0.9230
133	L	H	0.0000
134	A	H	-0.8596
135	P	H	0.0000
136	S	H	-0.9976
137	S	H	-1.2328
138	K	H	-2.0756
139	S	H	-1.3030
140	T	H	-1.0130
141	S	H	-0.8363
142	G	H	-0.8153
143	G	H	-0.8552
144	T	H	-0.7040
145	A	H	-0.7044
146	A	H	-0.3872
147	L	H	0.0000
148	G	H	0.0000
149	C	H	0.0000
150	L	H	0.0000
151	V	H	0.0000
152	K	H	0.0000
153	D	H	-0.4253
154	Y	H	0.0000
155	F	H	0.0000
156	P	H	0.0000
157	E	H	-0.5644
158	P	H	-0.6078
159	V	H	-0.2910
160	T	H	-0.2448
161	V	H	-0.2074
162	S	H	-0.3312
163	W	H	0.0000
164	N	H	-0.7038
165	S	H	-0.6358
166	G	H	-0.4677
167	A	H	-0.1840
168	L	H	0.0810
169	T	H	-0.1489
170	S	H	-0.2217
171	G	H	-0.2555
172	V	H	0.1932
173	H	H	-0.1387
174	T	H	-0.0197
175	F	H	0.0000
176	P	H	-0.0361
177	A	H	0.2238
178	V	H	0.0000
179	L	H	1.1493
180	Q	H	0.3121
181	S	H	-0.0945
182	S	H	-0.1528
183	G	H	0.0892
184	L	H	0.0526
185	Y	H	0.2952
186	S	H	0.0000
187	L	H	0.0000
188	S	H	0.0000
189	S	H	0.0000
190	V	H	0.1501
191	V	H	0.0000
192	T	H	-0.1616
193	V	H	0.0000
194	P	H	-0.5808
195	S	H	-0.5661
196	S	H	-0.6654
197	S	H	-0.6322
198	L	H	-0.7828
199	G	H	-1.1713
200	T	H	-0.7767
201	Q	H	-1.4499
202	T	H	-1.1167
203	Y	H	0.0000
204	I	H	-0.9435
205	C	H	0.0000
206	N	H	-1.1519
207	V	H	0.0000
208	N	H	-0.7583
209	H	H	0.0000
210	K	H	-0.7288
211	P	H	0.0000
212	S	H	-0.6243
213	N	H	-0.5698
214	T	H	-0.5958
215	K	H	-0.9052
216	V	H	-0.7863
217	D	H	-2.1176
218	K	H	-1.7912
219	K	H	-2.1006
220	V	H	0.0000
221	E	H	-2.4097
222	P	H	-1.2041
1	S	A	-0.3579
2	Y	A	-1.0643
3	E	A	-2.1190
4	L	A	0.0000
5	T	A	-0.7687
6	Q	A	-0.4721
7	P	A	-0.4316
8	P	A	-0.5746
9	S	A	-0.5872
10	V	A	-0.4246
11	S	A	-0.6398
12	V	A	0.0000
13	A	A	-0.8554
14	P	A	-1.2376
15	G	A	-1.3790
16	Q	A	-1.8542
17	T	A	-1.4763
18	A	A	0.0000
19	R	A	-2.0279
20	I	A	0.0000
21	S	A	-0.8042
22	C	A	0.0000
23	S	A	-1.5469
24	G	A	-2.3228
25	D	A	-3.2697
26	N	A	-2.8493
27	I	A	0.0000
28	G	A	-1.7647
29	G	A	-1.3845
30	T	A	0.0000
31	F	A	0.0000
32	V	A	0.0000
33	S	A	0.0000
34	W	A	0.0000
35	Y	A	0.0000
36	Q	A	0.0000
37	Q	A	-0.9520
38	K	A	-1.7489
39	P	A	-1.5152
40	G	A	-1.5231
41	Q	A	-1.9256
42	A	A	-0.9148
43	P	A	0.0000
44	V	A	0.7647
45	L	A	0.0000
46	V	A	0.0000
47	I	A	0.0000
48	Y	A	-0.7482
49	D	A	-1.1723
50	D	A	0.0000
51	N	A	-2.1003
52	D	A	-1.9999
53	R	A	-1.7806
54	P	A	-0.8004
55	S	A	-0.8392
56	G	A	-0.7746
57	I	A	-0.5934
58	P	A	-1.1846
59	E	A	-2.1695
60	R	A	-1.4144
61	F	A	0.0000
62	S	A	-1.4425
63	G	A	-1.2884
64	S	A	-0.9705
65	N	A	-1.0652
66	S	A	-1.1810
67	G	A	-2.0183
68	N	A	-2.6752
69	T	A	-1.4823
70	A	A	0.0000
71	T	A	-0.8714
72	L	A	0.0000
73	T	A	-1.0693
74	I	A	0.0000
75	S	A	-1.4210
76	G	A	-1.2021
77	T	A	0.0000
78	Q	A	-1.8185
79	A	A	-1.3696
80	E	A	-2.2942
81	D	A	0.0000
82	E	A	-1.4893
83	A	A	0.0000
84	D	A	-1.0255
85	Y	A	0.0000
86	Y	A	0.0000
87	C	A	0.0000
88	G	A	0.0000
89	T	A	0.0000
90	W	A	0.0000
91	D	A	0.5395
92	M	A	1.4483
93	V	A	2.0202
94	T	A	0.5524
95	N	A	0.6186
96	N	A	0.0000
97	V	A	-0.3231
98	F	A	-0.3218
99	G	A	0.0000
100	G	A	-1.1777
101	G	A	0.0000
102	T	A	0.0000
103	K	A	-0.9108
104	L	A	0.0000
105	T	A	0.0000
106	V	A	0.0000
107	L	A	-0.7129
108	G	A	-1.2916
109	Q	A	-1.8298
110	P	A	-1.6560
111	K	A	-2.4830
112	A	A	-1.5111
113	A	A	-0.8436
114	P	A	0.0000
115	S	A	-0.6161
116	V	A	0.0000
117	T	A	-0.5240
118	L	A	0.0000
119	F	A	0.0000
120	P	A	-0.1352
121	P	A	-0.3873
122	S	A	-0.7454
123	S	A	-1.2123
124	E	A	-1.7654
125	E	A	0.0000
126	L	A	-1.7875
127	Q	A	-2.0722
128	A	A	-1.6749
129	N	A	-2.4291
130	K	A	-2.1621
131	A	A	0.0000
132	T	A	0.0000
133	L	A	0.0000
134	V	A	0.0000
135	C	A	0.0000
136	L	A	0.0000
137	I	A	0.0000
138	S	A	-0.8188
139	D	A	-1.6296
140	F	A	0.0000
141	Y	A	-1.6230
142	P	A	0.0000
143	G	A	-1.0998
144	A	A	-0.3928
145	V	A	-0.1115
146	T	A	-0.1234
147	V	A	0.0044
148	A	A	-0.4836
149	W	A	0.0000
150	K	A	-0.9954
151	A	A	-1.3529
152	D	A	-2.0278
153	S	A	-1.0208
154	S	A	-0.8052
155	P	A	-0.8631
156	V	A	-0.7663
157	K	A	-1.6267
158	A	A	-0.8062
159	G	A	-0.6371
160	V	A	-0.6051
161	E	A	-0.6960
162	T	A	-0.1648
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