Project name: 329dd67bc57c6d0

Chain sequence(s)	A: EVKLEESGGGLVQQPGGSMKLSCVASGFIFSNHWMNWVRQSPEKGLEWVAEIRSKSINSATHYAESVKGRFTISRDDSKSAVYLQMTDLRTEDTGVYYCSRNYYGSTYDYWGQGTTLTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPK; H: EVKLEESGGGLVQQPGGSMKLSCVASGFIFSNHWMNWVRQSPEKGLEWVAEIRSKSINSATHYAESVKGRFTISRDDSKSAVYLQMTDLRTEDTGVYYCSRNYYGSTYDYWGQGTTLTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPK; B: DILLTQSPAILSVSPGERVSFSCRASQFVGSSIHWYQQRTNGSSPRLLIKYASESMSGIPSRFSGSGSGTDFTLSINTVESEDIADYYCQQSHSWPFTFGSGTNLEVKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGE; L: DILLTQSPAILSVSPGERVSFSCRASQFVGSSIHWYQQRTNGSSPRLLIKYASESMSGIPSRFSGSGSGTDFTLSINTVESEDIADYYCQQSHSWPFTFGSGTNLEVKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQQGLSSPVTKSFNRGE
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                                          (00:16:32)
[INFO]       Main:     Simulation completed successfully.                                          (00:16:46)

• Minimal score value: -3.8008
• Maximal score value: 1.563
• Average score: -0.6646
• Total score value: -576.8427

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	-2.2035
2	V	H	-1.3759
3	K	H	-2.3537
4	L	H	0.0000
5	E	H	-2.1924
6	E	H	0.0000
7	S	H	-1.0945
8	G	H	-1.1679
9	G	H	-0.8773
10	G	H	-0.7208
11	L	H	-0.2888
12	V	H	0.0000
13	Q	H	-1.7750
14	P	H	-1.6614
15	G	H	-1.9377
16	G	H	-1.4345
17	S	H	-1.3548
18	M	H	-1.2785
19	K	H	-1.8956
20	L	H	0.0000
21	S	H	-0.7086
22	C	H	0.0000
23	V	H	-0.5148
24	A	H	0.0000
25	S	H	-0.9814
26	G	H	-0.8481
27	F	H	0.3786
28	I	H	1.5580
29	F	H	0.0000
30	S	H	-0.7958
31	N	H	-0.9448
32	H	H	-0.1577
33	W	H	-0.1532
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	-0.8391
40	S	H	-1.3860
41	P	H	-1.6726
42	E	H	-2.9056
43	K	H	-2.8953
44	G	H	-1.6999
45	L	H	0.0000
46	E	H	-0.8194
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	-0.8183
53	S	H	0.0000
54	K	H	-2.2401
55	S	H	-1.0113
56	I	H	-0.0498
57	N	H	-1.3388
58	S	H	-1.1941
59	A	H	-0.5972
60	T	H	-0.4007
61	H	H	-0.7490
62	Y	H	-1.0826
63	A	H	-1.3899
64	E	H	-2.4420
65	S	H	-1.4722
66	V	H	0.0000
67	K	H	-2.5261
68	G	H	-1.7514
69	R	H	0.0000
70	F	H	0.0000
71	T	H	-0.7191
72	I	H	0.0000
73	S	H	-0.3462
74	R	H	-0.9140
75	D	H	-1.3753
76	D	H	-1.4282
77	S	H	-1.4005
78	K	H	-1.9618
79	S	H	-0.7272
80	A	H	0.0000
81	V	H	0.0000
82	Y	H	-0.3084
83	L	H	0.0000
84	Q	H	-1.0363
85	M	H	0.0000
86	T	H	-1.5405
87	D	H	-2.4272
88	L	H	0.0000
89	R	H	-1.6476
90	T	H	-0.9489
91	E	H	-1.2417
92	D	H	0.0000
93	T	H	-0.2457
94	G	H	-0.4352
95	V	H	0.1879
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	1.3440
103	Y	H	0.8777
104	G	H	0.4508
105	S	H	0.0000
106	T	H	0.0000
107	Y	H	0.0000
108	D	H	0.0969
109	Y	H	0.3061
110	W	H	-0.5699
111	G	H	0.0000
112	Q	H	-1.9329
113	G	H	0.0000
114	T	H	-0.5964
115	T	H	-0.2364
116	L	H	0.0000
117	T	H	-0.3743
118	V	H	0.0000
119	S	H	-0.7665
120	S	H	-0.7376
121	A	H	-0.4794
122	S	H	-0.5821
123	T	H	-0.6449
124	K	H	-1.2344
125	G	H	-1.3899
126	P	H	-0.6057
127	S	H	-0.2816
128	V	H	0.0000
129	F	H	0.0000
130	P	H	-1.0866
131	L	H	0.0000
132	A	H	-1.3700
133	P	H	0.0000
134	S	H	-1.2666
135	S	H	-1.0423
136	K	H	-1.4480
137	S	H	0.0000
138	T	H	-0.7294
139	S	H	-0.7096
140	G	H	-0.8246
141	G	H	-0.8723
142	T	H	-0.5894
143	A	H	0.0000
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	-0.3891
152	Y	H	0.0000
153	F	H	0.0000
154	P	H	0.0000
155	E	H	-0.6244
156	P	H	-0.8241
157	V	H	0.0000
158	T	H	-0.6203
159	V	H	-0.4095
160	S	H	-0.4099
161	W	H	0.0000
162	N	H	-0.8849
163	S	H	-0.7329
164	G	H	-0.5232
165	A	H	-0.2636
166	L	H	-0.0119
167	T	H	-0.1767
168	S	H	-0.1854
169	G	H	-0.2217
170	V	H	0.1602
171	H	H	-0.2734
172	T	H	0.0031
173	F	H	0.0000
174	P	H	-0.2515
175	A	H	0.2565
176	V	H	0.6053
177	L	H	1.2470
178	Q	H	0.2890
179	S	H	-0.0515
180	S	H	-0.2141
181	G	H	0.0330
182	L	H	0.1358
183	Y	H	0.4768
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	-0.1811
191	V	H	0.0000
192	P	H	-0.5288
193	S	H	-0.5669
194	S	H	-0.5859
195	S	H	-0.6919
196	L	H	-0.9890
197	G	H	-1.3707
198	T	H	-0.8605
199	Q	H	-1.5637
200	T	H	-1.2898
201	Y	H	0.0000
202	I	H	-1.1997
203	C	H	0.0000
204	N	H	-1.5220
205	V	H	0.0000
206	N	H	-1.8956
207	H	H	0.0000
208	K	H	-2.8352
209	P	H	-1.6615
210	S	H	-1.8055
211	N	H	-2.5772
212	T	H	-2.2680
213	K	H	-2.7070
214	V	H	-1.7757
215	D	H	-2.5276
216	K	H	-1.9369
217	K	H	-2.4835
218	V	H	0.0000
219	E	H	-2.8862
220	P	H	-1.9492
221	K	H	-2.5880
1	D	L	-1.7945
2	I	L	0.0000
3	L	L	0.0000
4	L	L	0.0000
5	T	L	0.0000
6	Q	L	0.0000
7	S	L	-0.3459
8	P	L	0.2126
9	A	L	0.2222
10	I	L	0.7645
11	L	L	0.4490
12	S	L	-0.0736
13	V	L	-1.1027
14	S	L	-1.5865
15	P	L	-1.9555
16	G	L	-2.2981
17	E	L	-3.2503
18	R	L	-3.4039
19	V	L	0.0000
20	S	L	-0.7302
21	F	L	0.0000
22	S	L	-0.5488
23	C	L	0.0000
24	R	L	-0.9823
25	A	L	0.0000
26	S	L	0.0000
27	Q	L	-0.0656
28	F	L	1.2696
29	V	L	0.0000
30	G	L	0.0650
31	S	L	-0.1893
32	S	L	0.0000
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	-1.2244
39	R	L	-1.9593
40	T	L	-1.6823
41	N	L	-1.9521
42	G	L	-1.4988
43	S	L	-1.0791
44	P	L	0.0000
45	R	L	-0.9289
46	L	L	0.0000
47	L	L	0.0000
48	I	L	0.0000
49	K	L	-0.7577
50	Y	L	-0.1495
51	A	L	0.0000
52	S	L	-1.2148
53	E	L	-1.9715
54	S	L	-1.1759
55	M	L	-0.6572
56	S	L	-0.5650
57	G	L	-0.4922
58	I	L	-0.3389
59	P	L	-0.4206
60	S	L	-0.7731
61	R	L	-1.4703
62	F	L	0.0000
63	S	L	-1.0498
64	G	L	-0.7492
65	S	L	-0.9196
66	G	L	-1.0254
67	S	L	-0.6350
68	G	L	-0.1904
69	T	L	-0.6369
70	D	L	-1.9333
71	F	L	0.0000
72	T	L	-0.7122
73	L	L	0.0000
74	S	L	0.0000
75	I	L	0.0000
76	N	L	-2.9790
77	T	L	-2.6160
78	V	L	0.0000
79	E	L	-2.8177
80	S	L	-2.4166
81	E	L	-2.5433
82	D	L	0.0000
83	I	L	0.0000
84	A	L	0.0000
85	D	L	-0.8243
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	-0.1577
92	H	L	-0.2361
93	S	L	-0.2589
94	W	L	-0.0102
95	P	L	-0.4877
96	F	L	0.0000
97	T	L	-0.3509
98	F	L	-0.1474
99	G	L	0.0000
100	S	L	-0.9158
101	G	L	-0.2631
102	T	L	0.0000
103	N	L	-0.3727
104	L	L	0.0000
105	E	L	-0.8635
106	V	L	0.0000
107	K	L	-1.2968
108	R	L	-1.0200
109	T	L	-0.2114
110	V	L	0.2087
111	A	L	-0.0755
112	A	L	0.0228
113	P	L	0.0000
114	S	L	-0.1860
115	V	L	0.0000
116	F	L	0.0000
117	I	L	0.0000
118	F	L	0.0000
119	P	L	-1.0170
120	P	L	0.0000
121	S	L	0.0000
122	D	L	-2.8676
123	E	L	-2.8565
124	Q	L	0.0000
125	L	L	-2.1248
126	K	L	-2.8092
127	S	L	-1.7529
128	G	L	-1.2342
129	T	L	-1.1888
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	-0.8515
139	F	L	0.0000
140	Y	L	0.0000
141	P	L	-1.2510
142	R	L	-2.2240
143	E	L	-1.6812
144	A	L	-1.1374
145	K	L	-1.2648
146	V	L	-0.7099
147	Q	L	-0.7538
148	W	L	0.0000
149	K	L	-1.0892
150	V	L	0.0000
151	D	L	-2.0090
152	N	L	-1.8695
153	A	L	-1.1098
154	L	L	-1.0803
155	Q	L	-1.1038
156	S	L	-1.0612
157	G	L	-1.5336
158	N	L	-1.7358
159	S	L	-1.5469
160	Q	L	-1.5220
161	E	L	-1.5315
162	S	L	-0.7352
163	V	L	-0.5048
164	T	L	-0.9891
165	E	L	-2.1882
166	Q	L	0.0000
167	D	L	-2.1164
168	S	L	-2.4246
169	K	L	-2.7373
170	D	L	-2.2041
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	-0.7753
179	L	L	0.0000
180	T	L	-0.7144
181	L	L	-0.8417
182	S	L	-1.0407
183	K	L	-1.9854
184	A	L	-1.8115
185	D	L	-2.5244
186	Y	L	0.0000
187	E	L	-3.2300
188	K	L	-3.4150
189	H	L	-2.9921
190	K	L	-3.3148
191	V	L	-1.5992
192	Y	L	0.0000
193	A	L	0.0000
194	C	L	0.0000
195	E	L	-0.7090
196	V	L	0.0000
197	T	L	0.0000
198	H	L	0.0000
199	Q	L	-0.7998
200	G	L	-0.1907
201	L	L	-0.0303
202	S	L	-0.0565
203	S	L	-0.3612
204	P	L	-0.5635
205	V	L	0.0649
206	T	L	-0.4048
207	K	L	-0.8538
208	S	L	-0.7597
209	F	L	0.0000
210	N	L	-2.0954
211	R	L	-2.5941
212	G	L	-2.1829
213	E	L	-2.7393
1	E	A	-2.1505
2	V	A	-1.2526
3	K	A	-2.0071
4	L	A	0.0000
5	E	A	-1.7056
6	E	A	0.0000
7	S	A	-0.7786
8	G	A	-0.7784
9	G	A	0.0000
10	G	A	-0.5265
11	L	A	-0.3483
12	V	A	0.0000
13	Q	A	-1.8080
14	P	A	-1.7162
15	G	A	-1.9462
16	G	A	-1.4418
17	S	A	-1.3466
18	M	A	-1.1095
19	K	A	-1.6514
20	L	A	0.0000
21	S	A	-0.4753
22	C	A	0.0000
23	V	A	0.0258
24	A	A	0.0000
25	S	A	-0.7977
26	G	A	-0.8320
27	F	A	0.3922
28	I	A	1.5630
29	F	A	0.0000
30	S	A	-0.9826
31	N	A	-0.9338
32	H	A	-0.1785
33	W	A	-0.1684
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	-0.6680
40	S	A	0.0000
41	P	A	-1.4801
42	E	A	-2.5770
43	K	A	-2.2367
44	G	A	-1.4224
45	L	A	0.0000
46	E	A	-0.6670
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	-0.7768
53	S	A	0.0000
54	K	A	-2.1775
55	S	A	-0.9860
56	I	A	0.0150
57	N	A	-1.3052
58	S	A	-1.1704
59	A	A	-0.5938
60	T	A	-0.4406
61	H	A	-0.8580
62	Y	A	-1.1011
63	A	A	-1.3771
64	E	A	-2.4395
65	S	A	-1.4175
66	V	A	0.0000
67	K	A	-2.5221
68	G	A	-1.7434
69	R	A	0.0000
70	F	A	0.0000
71	T	A	-0.7274
72	I	A	0.0000
73	S	A	-0.4220
74	R	A	-0.9851
75	D	A	-1.3528
76	D	A	-1.4517
77	S	A	-1.4554
78	K	A	-1.9417
79	S	A	-0.6372
80	A	A	0.0000
81	V	A	0.0000
82	Y	A	-0.2939
83	L	A	0.0000
84	Q	A	-0.9921
85	M	A	0.0000
86	T	A	-1.5181
87	D	A	-2.4482
88	L	A	0.0000
89	R	A	-1.7828
90	T	A	-1.0156
91	E	A	-1.1666
92	D	A	0.0000
93	T	A	-0.4241
94	G	A	0.0000
95	V	A	0.2472
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	1.2629
103	Y	A	0.9057
104	G	A	0.4637
105	S	A	0.3121
106	T	A	0.0000
107	Y	A	0.0000
108	D	A	0.0874
109	Y	A	0.3325
110	W	A	-0.4792
111	G	A	0.0000
112	Q	A	-1.8490
113	G	A	0.0000
114	T	A	-0.4331
115	T	A	-0.1075
116	L	A	0.0000
117	T	A	-0.3283
118	V	A	0.0000
119	S	A	-0.7930
120	S	A	-0.7605
121	A	A	-0.4788
122	S	A	-0.5750
123	T	A	-0.6993
124	K	A	-1.1284
125	G	A	-1.2789
126	P	A	0.0000
127	S	A	-0.2731
128	V	A	0.0000
129	F	A	-0.4927
130	P	A	-0.9150
131	L	A	0.0000
132	A	A	-1.2478
133	P	A	0.0000
134	S	A	-0.9997
135	S	A	-0.6964
136	K	A	-0.7061
137	S	A	0.0000
138	T	A	-0.5013
139	S	A	-0.5784
140	G	A	-0.8183
141	G	A	-0.8691
142	T	A	-0.5887
143	A	A	0.0000
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	-0.2557
152	Y	A	0.0000
153	F	A	-0.1546
154	P	A	0.0000
155	E	A	-0.4323
156	P	A	-0.6477
157	V	A	-0.5960
158	T	A	-0.5488
159	V	A	-0.3496
160	S	A	-0.3656
161	W	A	0.0000
162	N	A	-0.7231
163	S	A	-0.6178
164	G	A	-0.4140
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