Project name: ef7f48805f285eb

Chain sequence(s)	A: EVKLEESGGGLVQPGGSMKLSCVASGFIFSNHWMNWVRQSPEKGLEWVAEIRSKSINSATHYAESVKGRFTISRDDSKSAVYLQMTDLRTEDTGVYYCSRNYYGSTYDYWGQGTTLTVSSASTKGPSVFPLAPSSKGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKS; H: EVKLEESGGGLVQPGGSMKLSCVASGFIFSNHWMNWVRQSPEKGLEWVAEIRSKSINSATHYAESVKGRFTISRDDSKSAVYLQMTDLRTEDTGVYYCSRNYYGSTYDYWGQGTTLTVSSASTKGPSVFPLAPSSKGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKS; B: DILLTQSSPAILSVSPGERVSFSCRASQFVGSSSIHWYQQRTNGSPRLLIKYASESMSGIPSRFSGSGSGTDFTLSINTVESEDIADYYCQQSHSWPFTFGSGTNLEVKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC; L: DILLTQSSPAILSVSPGERVSFSCRASQFVGSSSIHWYQQRTNGSPRLLIKYASESMSGIPSRFSGSGSGTDFTLSINTVESEDIADYYCQQSHSWPFTFGSGTNLEVKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC
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]                                                (00:00:00)
[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                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:12:18)
[INFO]       Main:     Simulation completed successfully.                                          (00:12:29)

• Minimal score value: -3.4717
• Maximal score value: 1.595
• Average score: -0.6606
• Total score value: -570.7321

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	E	H	-2.1959
2	V	H	-1.4099
3	K	H	-2.0651
4	L	H	0.0000
5	E	H	-1.4154
6	E	H	0.0000
7	S	H	-0.8554
8	G	H	-0.8790
9	G	H	-0.5018
10	G	H	-0.0915
11	L	H	0.4043
12	V	H	-0.4103
13	Q	H	-1.6753
14	P	H	-1.8920
15	G	H	-1.9677
16	G	H	-1.4040
17	S	H	-1.4311
18	M	H	-0.9701
19	K	H	-1.6279
20	L	H	0.0000
21	S	H	-0.5065
22	C	H	0.0000
23	V	H	-0.0130
24	A	H	0.0000
25	S	H	-0.8097
26	G	H	-0.8520
27	F	H	0.3687
28	I	H	1.5950
29	F	H	0.0000
30	S	H	-0.7040
31	N	H	-0.7552
32	H	H	0.0000
33	W	H	0.0313
34	M	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	-0.6745
40	S	H	0.0000
41	P	H	-1.4413
42	E	H	-2.5206
43	K	H	-2.1596
44	G	H	-1.3636
45	L	H	0.0000
46	E	H	-0.6685
47	W	H	0.0000
48	V	H	0.0000
49	A	H	0.0000
50	E	H	0.0000
51	I	H	0.0000
52	R	H	-0.7219
53	S	H	0.0000
54	K	H	-2.1987
55	S	H	-1.0701
56	I	H	-0.1894
57	N	H	-1.4079
58	S	H	-1.2102
59	A	H	-0.6081
60	T	H	-0.3774
61	H	H	-0.6793
62	Y	H	-1.0368
63	A	H	-1.4291
64	E	H	-2.5465
65	S	H	-1.7863
66	V	H	0.0000
67	K	H	-2.5728
68	G	H	-1.7516
69	R	H	0.0000
70	F	H	0.0000
71	T	H	-0.8813
72	I	H	0.0000
73	S	H	-0.5061
74	R	H	-1.0053
75	D	H	-1.3683
76	D	H	-1.3944
77	S	H	-1.4237
78	K	H	-1.9611
79	S	H	-0.6771
80	A	H	0.0000
81	V	H	0.0000
82	Y	H	-0.4352
83	L	H	0.0000
84	Q	H	-1.4327
85	M	H	0.0000
86	T	H	-1.6774
87	D	H	-2.5361
88	L	H	0.0000
89	R	H	-2.4252
90	T	H	-1.7013
91	E	H	-2.4429
92	D	H	0.0000
93	T	H	-0.7235
94	G	H	-0.5890
95	V	H	0.1022
96	Y	H	0.0000
97	Y	H	0.0000
98	C	H	0.0000
99	S	H	0.0000
100	R	H	0.0000
101	N	H	0.0000
102	Y	H	1.4654
103	Y	H	1.4648
104	G	H	0.7069
105	S	H	0.0000
106	T	H	0.0000
107	Y	H	0.0000
108	D	H	-0.1431
109	Y	H	-0.0013
110	W	H	-0.7046
111	G	H	0.0000
112	Q	H	-1.8348
113	G	H	-0.9774
114	T	H	-0.5910
115	T	H	-0.1643
116	L	H	0.0000
117	T	H	-0.4229
118	V	H	0.0000
119	S	H	-0.8786
120	S	H	-0.7103
121	A	H	-0.4598
122	S	H	-0.6423
123	T	H	-0.6371
124	K	H	-1.1563
125	G	H	-1.4347
126	P	H	0.0000
127	S	H	-0.3593
128	V	H	0.0000
129	F	H	0.0000
130	P	H	-1.2639
131	L	H	0.0000
132	A	H	-1.2883
133	P	H	0.0000
134	S	H	-1.2540
135	S	H	-1.3839
136	K	H	-1.8092
141	G	H	-0.6439
142	T	H	-0.4907
143	A	H	-0.4828
144	A	H	0.0000
145	L	H	0.0000
146	G	H	0.0000
147	C	H	0.0000
148	L	H	0.0000
149	V	H	0.0000
150	K	H	0.0000
151	D	H	-0.3680
152	Y	H	0.0000
153	F	H	0.0000
154	P	H	-0.7208
155	E	H	-1.1360
156	P	H	-1.1888
157	V	H	-1.0321
158	T	H	-0.8660
159	V	H	-0.5207
160	S	H	-0.4609
161	W	H	0.0000
162	N	H	-0.7080
163	S	H	-0.6227
164	G	H	-0.4986
165	A	H	-0.2197
166	L	H	0.0057
167	T	H	-0.1878
168	S	H	-0.2307
169	G	H	-0.3130
170	V	H	0.1109
171	H	H	-0.3347
172	T	H	-0.0080
173	F	H	0.0000
174	P	H	-0.3284
175	A	H	0.1414
176	V	H	0.5553
177	L	H	1.0461
178	Q	H	0.2715
179	S	H	-0.0555
180	S	H	-0.1858
181	G	H	0.0337
182	L	H	0.0486
183	Y	H	0.3114
184	S	H	0.0000
185	L	H	0.0000
186	S	H	0.0000
187	S	H	0.0000
188	V	H	0.0000
189	V	H	0.0000
190	T	H	-0.1631
191	V	H	0.0000
192	P	H	-0.4928
193	S	H	-0.7254
194	S	H	-0.5912
195	S	H	-0.5374
196	L	H	-0.7059
197	G	H	-0.8916
198	T	H	-0.6327
199	Q	H	-1.0226
200	T	H	-1.0451
201	Y	H	0.0000
202	I	H	-1.2522
203	C	H	0.0000
204	N	H	-1.6015
205	V	H	0.0000
206	N	H	-2.5844
207	H	H	0.0000
208	K	H	-2.9730
209	P	H	-1.7824
210	S	H	-1.9088
211	N	H	-2.6948
212	T	H	-2.2601
213	K	H	-2.8858
214	V	H	-1.7188
215	D	H	-2.4372
216	K	H	-1.9753
217	K	H	-2.5175
218	V	H	0.0000
219	E	H	-2.8777
220	P	H	-2.0089
221	K	H	-2.4862
222	S	H	-1.1915
1	D	L	-1.7794
2	I	L	-0.6501
3	L	L	-0.7799
4	L	L	0.0000
5	T	L	-0.7943
6	Q	L	0.0000
7	S	L	-0.2749
8	P	L	0.0000
9	A	L	0.0239
10	I	L	0.2004
11	L	L	0.0535
12	S	L	-0.2546
13	V	L	0.0000
14	S	L	-1.3124
15	P	L	-1.5132
16	G	L	-1.9269
17	E	L	-2.4286
18	R	L	-2.9311
19	V	L	0.0000
20	S	L	-0.8275
21	F	L	0.0000
22	S	L	-0.7661
23	C	L	0.0000
24	R	L	-1.7753
25	A	L	0.0000
26	S	L	0.0000
27	Q	L	-0.4567
28	F	L	1.0406
29	V	L	0.0000
30	G	L	0.0391
31	S	L	-0.1872
32	S	L	-0.0061
33	I	L	0.0000
34	H	L	0.0000
35	W	L	0.0000
36	Y	L	0.0000
37	Q	L	0.0000
38	Q	L	0.0000
39	R	L	-2.0205
40	T	L	-1.4881
41	N	L	-1.8315
42	G	L	-1.7144
43	S	L	-1.3765
44	P	L	0.0000
45	R	L	-1.9152
46	L	L	0.0000
47	L	L	0.0000
48	I	L	0.0000
49	K	L	-1.0050
50	Y	L	-0.4224
51	A	L	0.0000
52	S	L	-1.3057
53	E	L	-2.0908
54	S	L	-1.2549
55	M	L	-0.6678
56	S	L	-0.5368
57	G	L	-0.4448
58	I	L	-0.3020
59	P	L	-0.2980
60	S	L	-0.6189
61	R	L	-1.2640
62	F	L	0.0000
63	S	L	-1.0086
64	G	L	-0.8177
65	S	L	-0.8641
66	G	L	-0.9585
67	S	L	-0.4657
68	G	L	-0.2681
69	T	L	-0.8392
70	D	L	-1.9046
71	F	L	0.0000
72	T	L	-0.7806
73	L	L	0.0000
74	S	L	-0.9620
75	I	L	0.0000
76	N	L	-2.5799
77	T	L	-2.3396
78	V	L	0.0000
79	E	L	-2.4307
80	S	L	-1.5606
81	E	L	-2.0217
82	D	L	0.0000
83	I	L	-0.5737
84	A	L	0.0000
85	D	L	-0.8292
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	S	L	-0.1684
92	H	L	-0.2224
93	S	L	-0.2283
94	W	L	-0.0817
95	P	L	-0.5183
96	F	L	0.0000
97	T	L	-0.3770
98	F	L	0.0000
99	G	L	0.0000
100	S	L	-0.8579
101	G	L	-0.3478
102	T	L	0.0000
103	N	L	-0.5088
104	L	L	0.0000
105	E	L	0.0000
106	V	L	-0.2798
107	K	L	-0.6698
108	R	L	-0.7098
109	T	L	0.1638
110	V	L	0.9239
111	A	L	0.2519
112	A	L	0.1183
113	P	L	0.0000
114	S	L	-0.0370
115	V	L	0.1554
116	F	L	0.2496
117	I	L	0.1534
118	F	L	0.0000
119	P	L	-0.6473
120	P	L	0.0000
121	S	L	0.0000
122	D	L	-2.9327
123	E	L	-2.4681
124	Q	L	0.0000
125	L	L	-2.0681
126	K	L	-2.6937
127	S	L	-1.6927
128	G	L	-1.2049
129	T	L	-0.9803
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	-0.9280
139	F	L	0.0000
140	Y	L	0.0000
141	P	L	-0.9648
142	R	L	-1.7253
143	E	L	-2.0372
144	A	L	-1.7375
145	K	L	-2.2182
146	V	L	-0.8466
147	Q	L	-0.3377
148	W	L	0.0000
149	K	L	-0.0565
150	V	L	0.0000
151	D	L	-1.0112
152	N	L	-0.7500
153	A	L	-0.3489
154	L	L	0.6097
155	Q	L	-0.1619
156	S	L	-0.6350
157	G	L	-1.2716
158	N	L	-1.5648
159	S	L	-1.4182
160	Q	L	-1.4087
161	E	L	-1.5541
162	S	L	-0.7963
163	V	L	-0.6173
164	T	L	-1.1037
165	E	L	-2.0209
166	Q	L	-1.8269
167	D	L	-1.9853
168	S	L	-1.7425
169	K	L	-2.3296
170	D	L	-1.8958
171	S	L	-1.6361
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	-0.7050
179	L	L	0.0000
180	T	L	-0.6339
181	L	L	-0.7811
182	S	L	-1.0152
183	K	L	-2.0037
184	A	L	-1.7430
185	D	L	-2.3305
186	Y	L	0.0000
187	E	L	-2.8600
188	K	L	-3.1066
189	H	L	-2.2345
190	K	L	-2.0339
191	V	L	0.0000
192	Y	L	0.0000
193	A	L	0.0000
194	C	L	0.0000
195	E	L	0.0000
196	V	L	0.0000
197	T	L	-0.8432
198	H	L	0.0000
199	Q	L	-1.1118
200	G	L	0.0439
201	L	L	0.0927
202	S	L	-0.2389
203	S	L	-0.0309
204	P	L	-0.0717
205	V	L	0.1321
206	T	L	-0.2206
207	K	L	-0.5164
208	S	L	-0.3700
209	F	L	-0.5745
210	N	L	-1.3339
211	R	L	-1.9384
212	G	L	-1.9255
213	E	L	-1.9473
214	C	L	-0.9182
1	E	A	-2.1233
2	V	A	-1.2716
3	K	A	-1.7908
4	L	A	0.0000
5	E	A	-1.4113
6	E	A	0.0000
7	S	A	-0.9170
8	G	A	-0.9746
9	G	A	-0.6026
10	G	A	-0.0141
11	L	A	0.3221
12	V	A	-0.4492
13	Q	A	-1.7039
14	P	A	-2.0058
15	G	A	-1.9881
16	G	A	-1.3921
17	S	A	-1.3904
18	M	A	-1.0863
19	K	A	-1.9271
20	L	A	0.0000
21	S	A	-0.5397
22	C	A	0.0000
23	V	A	0.0472
24	A	A	0.0000
25	S	A	-0.6969
26	G	A	-0.7738
27	F	A	0.4012
28	I	A	1.5671
29	F	A	0.0000
30	S	A	-0.7422
31	N	A	-0.8688
32	H	A	-0.1037
33	W	A	-0.0499
34	M	A	0.0000
35	N	A	0.0000
36	W	A	0.0000
37	V	A	0.0000
38	R	A	0.0000
39	Q	A	-0.7139
40	S	A	0.0000
41	P	A	-1.5320
42	E	A	-2.6288
43	K	A	-2.4842
44	G	A	-1.5280
45	L	A	0.0000
46	E	A	-0.6999
47	W	A	0.0000
48	V	A	0.0000
49	A	A	0.0000
50	E	A	0.0000
51	I	A	0.0000
52	R	A	-0.7893
53	S	A	0.0000
54	K	A	-2.2230
55	S	A	-1.0900
56	I	A	-0.2079
57	N	A	-1.4202
58	S	A	-1.1885
59	A	A	-0.6380
60	T	A	-0.4370
61	H	A	-0.8458
62	Y	A	-1.0759
63	A	A	-1.4135
64	E	A	-2.5105
65	S	A	-1.7234
66	V	A	0.0000
67	K	A	-2.5411
68	G	A	-1.7274
69	R	A	0.0000
70	F	A	0.0000
71	T	A	-0.7371
72	I	A	0.0000
73	S	A	-0.3770
74	R	A	-0.9545
75	D	A	-1.3080
76	D	A	-1.4102
77	S	A	-1.4281
78	K	A	-1.9424
79	S	A	-0.6612
80	A	A	0.0000
81	V	A	0.0000
82	Y	A	-0.2921
83	L	A	0.0000
84	Q	A	-1.0732
85	M	A	0.0000
86	T	A	-1.6087
87	D	A	-2.5415
88	L	A	0.0000
89	R	A	-2.5781
90	T	A	-1.8238
91	E	A	-2.6612
92	D	A	0.0000
93	T	A	-0.7638
94	G	A	0.0000
95	V	A	0.1666
96	Y	A	0.0000
97	Y	A	0.0000
98	C	A	0.0000
99	S	A	0.0000
100	R	A	0.0000
101	N	A	0.0000
102	Y	A	1.4410
103	Y	A	1.2611
104	G	A	0.6285
105	S	A	0.0000
106	T	A	0.0000
107	Y	A	0.0000
108	D	A	-0.1718
109	Y	A	-0.0134
110	W	A	0.0000
111	G	A	0.0000
112	Q	A	-1.8316
113	G	A	-0.9935
114	T	A	-0.5679
115	T	A	-0.1345
116	L	A	0.0000
117	T	A	-0.4373
118	V	A	0.0000
119	S	A	-0.9639
120	S	A	-0.7140
121	A	A	-0.4808
122	S	A	-0.6612
123	T	A	-0.6652
124	K	A	-1.2184
125	G	A	-1.3545
126	P	A	0.0000
127	S	A	-0.3866
128	V	A	0.0000
129	F	A	0.0000
130	P	A	-1.2018
131	L	A	0.0000
132	A	A	-1.1867
133	P	A	0.0000
134	S	A	-1.1763
135	S	A	-1.2997
136	K	A	-1.7875
141	G	A	-0.6332
142	T	A	-0.4636
143	A	A	-0.4717
144	A	A	0.0000
145	L	A	0.0000
146	G	A	0.0000
147	C	A	0.0000
148	L	A	0.0000
149	V	A	0.0000
150	K	A	0.0000
151	D	A	-0.3880
152	Y	A	0.0000
153	F	A	0.0000
154	P	A	-0.6673
155	E	A	-0.9645
156	P	A	-0.9776
157	V	A	-0.7446
158	T	A	-0.5751
159	V	A	-0.3354
160	S	A	-0.3567
161	W	A	0.0000
162	N	A	-0.7126
163	S	A	-0.6591
164	G	A	-0.5115
165	A	A	-0.2309
166	L	A	0.0243
167	T	A	-0.1697
168	S	A	-0.1906
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