Project name: 275

Chain sequence(s)	H: EVQLVESGGGLVQPGGSLRLSCAASGSVSPGYMHWVRQAPGKGLEWVGLITIYDPKFQDRATISADNSKNTAYLQMNSLRAEDTAVYYCARASVGGGGLVLLTWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSCDKTHT; L: DIQMTQSPSSLSASVGDRVTITCRLTSEPSSGGILSWYQQKPGKAPKVLIYGPNLEKPSGVPSRFSGSGSGTDYTLTISSLQPEDFATYYCAYSKKKLTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC
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                                          (00:07:59)
[INFO]       Main:     Simulation completed successfully.                                          (00:08:03)

• Minimal score value: -3.591
• Maximal score value: 1.5907
• Average score: -0.7564
• Total score value: -331.293

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	-1.9569
2	V	H	-1.1708
3	Q	H	-1.4890
4	L	H	0.0000
5	V	H	0.2838
6	E	H	0.0000
7	S	H	-0.4784
8	G	H	-0.8016
9	G	H	-0.4453
10	G	H	-0.3058
11	L	H	-0.1118
12	V	H	0.0000
13	Q	H	-1.7328
14	P	H	-1.9347
15	G	H	-1.5768
16	G	H	-1.2604
17	S	H	-1.3714
18	L	H	-1.1260
19	R	H	-1.8353
20	L	H	0.0000
21	S	H	-0.4004
22	C	H	0.0000
23	A	H	-0.3643
24	A	H	-0.6157
25	S	H	-0.9746
26	G	H	-1.0206
27	S	H	-0.8149
28	V	H	0.0000
29	S	H	-0.6628
30	P	H	0.0000
31	G	H	-0.0963
32	Y	H	0.9450
33	M	H	0.0000
34	H	H	0.0000
35	W	H	0.0000
36	V	H	0.0000
37	R	H	0.0000
38	Q	H	-0.7298
39	A	H	-1.1648
40	P	H	-0.9890
41	G	H	-1.4787
42	K	H	-2.3234
43	G	H	-1.5081
44	L	H	0.0000
45	E	H	-0.7094
46	W	H	0.0000
47	V	H	0.0000
48	G	H	0.0000
49	L	H	0.0000
50	I	H	0.9575
51	T	H	0.5428
52	I	H	0.6738
53	Y	H	-0.5113
54	D	H	0.0000
55	P	H	-1.7160
56	K	H	-2.4615
57	F	H	0.0000
58	Q	H	-2.4536
59	D	H	-2.8912
60	R	H	-2.0327
61	A	H	0.0000
62	T	H	-0.7244
63	I	H	0.0000
64	S	H	-0.1498
65	A	H	-0.8001
66	D	H	-1.8786
67	N	H	-2.3771
68	S	H	-1.9212
69	K	H	-2.5001
70	N	H	-1.9206
71	T	H	-1.1462
72	A	H	0.0000
73	Y	H	-0.4201
74	L	H	0.0000
75	Q	H	-1.0762
76	M	H	0.0000
77	N	H	-1.7263
78	S	H	-1.5566
79	L	H	0.0000
80	R	H	-2.7780
81	A	H	-1.9545
82	E	H	-2.3784
83	D	H	0.0000
84	T	H	-0.8224
85	A	H	0.0000
86	V	H	0.1217
87	Y	H	0.0000
88	Y	H	0.0000
89	C	H	0.0000
90	A	H	0.0000
91	R	H	-0.1457
92	A	H	0.0000
93	S	H	0.8647
94	V	H	1.5907
95	G	H	0.3268
96	G	H	-0.6428
97	G	H	-0.7473
98	G	H	0.0000
99	L	H	0.0592
100	V	H	0.0000
101	L	H	0.0000
102	L	H	0.4422
103	T	H	-0.5409
104	W	H	-0.6131
105	G	H	0.0000
106	Q	H	-1.5506
107	G	H	-0.6823
108	T	H	-0.1115
109	L	H	0.0663
110	V	H	0.0000
111	T	H	-0.5350
112	V	H	0.0000
113	S	H	-1.0500
114	S	H	-0.7198
115	A	H	-0.4960
116	S	H	-0.6339
117	T	H	-0.8773
118	K	H	-1.4733
119	G	H	-1.4580
120	P	H	0.0000
121	S	H	-0.4563
122	V	H	0.0000
123	F	H	0.0000
124	P	H	-1.1476
125	L	H	0.0000
126	A	H	-1.2028
127	P	H	0.0000
128	S	H	-1.0981
129	S	H	-0.9161
130	K	H	-1.3808
131	S	H	0.0000
132	T	H	-0.8064
133	S	H	-0.8206
134	G	H	-0.8368
135	G	H	-0.8977
136	T	H	-0.6096
137	A	H	0.0000
138	A	H	0.0000
139	L	H	0.0000
140	G	H	0.0000
141	C	H	0.0000
142	L	H	0.0000
143	V	H	0.0000
144	K	H	0.0000
145	D	H	-0.4501
146	Y	H	0.0000
147	F	H	0.0000
148	P	H	0.0000
149	E	H	-0.7050
150	P	H	-0.6865
151	V	H	-0.6891
152	T	H	-0.5845
153	V	H	-0.4188
154	S	H	-0.4205
155	W	H	0.0000
156	N	H	-0.8812
157	S	H	-0.7293
158	G	H	-0.5386
159	A	H	-0.2746
160	L	H	0.0013
161	T	H	-0.1605
162	S	H	-0.1418
163	G	H	-0.1314
164	V	H	0.1915
165	H	H	-0.2519
166	T	H	-0.1424
167	F	H	0.0000
168	P	H	-0.2245
169	A	H	0.2671
170	V	H	0.5860
171	L	H	1.1495
172	Q	H	0.2664
173	S	H	-0.1060
174	S	H	-0.2239
175	G	H	0.0345
176	L	H	0.0849
177	Y	H	0.4366
178	S	H	0.0000
179	L	H	0.0000
180	S	H	0.0000
181	S	H	0.0000
182	V	H	0.0000
183	V	H	0.0000
184	T	H	-0.1052
185	V	H	0.0000
186	P	H	-0.5397
187	S	H	-0.5680
188	S	H	-0.6120
189	S	H	0.0000
190	L	H	-0.8418
191	G	H	-1.0314
192	T	H	-0.8268
193	Q	H	-1.4003
194	T	H	-1.2460
195	Y	H	0.0000
196	I	H	-1.3107
197	C	H	0.0000
198	N	H	-1.5324
199	V	H	0.0000
200	N	H	-1.9389
201	H	H	0.0000
202	K	H	-2.7309
203	P	H	-1.6158
204	S	H	-1.8817
205	N	H	-2.5954
206	T	H	-2.0922
207	K	H	-2.7266
208	V	H	-1.7021
209	D	H	-2.6138
210	K	H	-2.2647
211	K	H	-2.5577
212	V	H	0.0000
213	E	H	-2.8497
214	P	H	-1.8322
215	K	H	-2.3118
216	S	H	-1.5886
217	C	H	-1.2027
218	D	H	-2.6602
219	K	H	-2.6966
220	T	H	-1.6807
221	H	H	-1.8819
222	T	H	-1.1973
1	D	L	-2.2229
2	I	L	-1.8422
3	Q	L	-1.9327
4	M	L	0.0000
5	T	L	-1.3254
6	Q	L	0.0000
7	S	L	-0.8327
8	P	L	-0.5972
9	S	L	-0.8041
10	S	L	-0.7807
11	L	L	-0.6325
12	S	L	-1.1294
13	A	L	0.0000
14	S	L	-1.0089
15	V	L	-0.1570
16	G	L	-0.7581
17	D	L	-1.8703
18	R	L	-2.3403
19	V	L	0.0000
20	T	L	-0.6352
21	I	L	0.0000
22	T	L	-0.7394
23	C	L	0.0000
24	R	L	-2.5146
25	L	L	0.0000
26	T	L	-1.5836
27	S	L	-1.8096
28	E	L	-2.3234
29	P	L	-1.4445
30	S	L	-1.0185
31	S	L	-0.9317
32	G	L	-1.2478
33	G	L	-1.4746
34	I	L	0.0000
35	L	L	0.0000
36	S	L	0.0000
37	W	L	0.0000
38	Y	L	0.0000
39	Q	L	0.0000
40	Q	L	0.0000
41	K	L	-2.0095
42	P	L	-1.4910
43	G	L	-1.8094
44	K	L	-2.6078
45	A	L	-1.6879
46	P	L	0.0000
47	K	L	-1.2472
48	V	L	0.0000
49	L	L	0.0000
50	I	L	0.0000
51	Y	L	-0.5257
52	G	L	0.0000
53	P	L	-1.3157
54	N	L	-1.8914
55	L	L	-1.3236
56	E	L	-1.9615
57	K	L	-1.5843
58	P	L	-0.7308
59	S	L	-0.7406
60	G	L	-0.6444
61	V	L	-0.5499
62	P	L	-0.4522
63	S	L	-0.5570
64	R	L	-0.7253
65	F	L	0.0000
66	S	L	-0.6050
67	G	L	-0.6795
68	S	L	-0.7897
69	G	L	-1.0593
70	S	L	-1.2766
71	G	L	-1.4711
72	T	L	-1.7566
73	D	L	-1.8595
74	Y	L	-0.9538
75	T	L	-0.5909
76	L	L	0.0000
77	T	L	-0.5707
78	I	L	0.0000
79	S	L	-1.2687
80	S	L	-1.1494
81	L	L	0.0000
82	Q	L	-1.0020
83	P	L	-1.5572
84	E	L	-2.0624
85	D	L	0.0000
86	F	L	0.0000
87	A	L	0.0000
88	T	L	-0.8371
89	Y	L	0.0000
90	Y	L	0.0000
91	C	L	0.0000
92	A	L	0.0000
93	Y	L	0.0000
94	S	L	0.0000
95	K	L	-2.3039
96	K	L	-2.4707
97	K	L	-1.6600
98	L	L	0.0000
99	T	L	-1.0207
100	F	L	-0.3883
101	G	L	0.0000
102	Q	L	-1.6344
103	G	L	0.0000
104	T	L	0.0000
105	K	L	-1.3578
106	V	L	0.0000
107	E	L	-1.2827
108	I	L	0.0000
109	K	L	-1.7150
110	R	L	-0.9898
111	T	L	-0.1557
112	V	L	0.2398
113	A	L	-0.0589
114	A	L	-0.0958
115	P	L	0.0000
116	S	L	-0.2348
117	V	L	0.0000
118	F	L	0.0000
119	I	L	0.0000
120	F	L	0.0000
121	P	L	-0.6721
122	P	L	0.0000
123	S	L	-1.7719
124	D	L	-3.0300
125	E	L	-2.8403
126	Q	L	0.0000
127	L	L	-2.2108
128	K	L	-2.7829
129	S	L	-1.7509
130	G	L	-1.2654
131	T	L	-0.9850
132	A	L	0.0000
133	S	L	0.0000
134	V	L	0.0000
135	V	L	0.0000
136	C	L	0.0000
137	L	L	0.0000
138	L	L	0.0000
139	N	L	0.0000
140	N	L	-0.7783
141	F	L	0.0000
142	Y	L	0.0000
143	P	L	-1.8321
144	R	L	-3.0857
145	E	L	-3.2677
146	A	L	-2.3665
147	K	L	-2.4416
148	V	L	0.0000
149	Q	L	-0.6888
150	W	L	0.0000
151	K	L	-0.4808
152	V	L	0.0000
153	D	L	-1.2982
154	N	L	-1.2588
155	A	L	-0.1956
156	L	L	0.6012
157	Q	L	-0.2638
158	S	L	-0.4589
159	G	L	-0.8680
160	N	L	-0.7644
161	S	L	-0.9937
162	Q	L	-1.1027
163	E	L	-1.4140
164	S	L	-0.7051
165	V	L	-0.6392
166	T	L	-0.9934
167	E	L	-1.9864
168	Q	L	0.0000
169	D	L	-1.9563
170	S	L	-2.2170
171	K	L	-2.4987
172	D	L	-1.6731
173	S	L	0.0000
174	T	L	0.0000
175	Y	L	0.0000
176	S	L	0.0000
177	L	L	0.0000
178	S	L	0.0000
179	S	L	0.0000
180	T	L	-0.5477
181	L	L	0.0000
182	T	L	-0.3744
183	L	L	-0.6077
184	S	L	-0.9977
185	K	L	-1.9672
186	A	L	-1.8606
187	D	L	-2.4726
188	Y	L	0.0000
189	E	L	-3.5910
190	K	L	-3.5147
191	H	L	-2.7888
192	K	L	-2.8659
193	V	L	-1.4492
194	Y	L	0.0000
195	A	L	0.0000
196	C	L	0.0000
197	E	L	-0.6579
198	V	L	0.0000
199	T	L	-1.2147
200	H	L	0.0000
201	Q	L	-1.7505
202	G	L	-0.4233
203	L	L	-0.2247
204	S	L	-0.4524
205	S	L	-0.4279
206	P	L	-0.5485
207	V	L	-0.0035
208	T	L	-0.4164
209	K	L	-0.8024
210	S	L	-0.7963
211	F	L	0.0000
212	N	L	-1.9177
213	R	L	-3.0129
214	G	L	-2.3395
215	E	L	-2.1995
216	C	L	-1.0987