Project name: 34c342fcac80f5e

Chain sequence(s)	I: QPDPPANITVVTWQDPHSWNSSFYRLRFELRYRATWMVKDLQHHHVVQLRAQEEFGQGEWSEWSPE; H: QVQLQESGPGLVRPSQTLSLTCTVSGYSITSDHAWSWVRQPPGRGLEWIGYISYSGITTYNPSLKSRVTMLRDTSKNQFSLRLSSVTAADTAVYYCARSLARTTAMDYWGQGSLVTVSSASTKGPSVFPLAPTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEP; B: FRKSPLSNVV; L: DIQMTQSPSSLSASVGDRVTITCRASQDISSYLNWYQQKPGKAPKLLIYYTSRLHSGVPSRFSGSGSGTDFTFTISSLQPEDIATYYCQQGNTLPYTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSF
Selected Chain(s)	I,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                                        (00:00:00)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:05:18)
[INFO]       Main:     Simulation completed successfully.                                          (00:05:22)

• Minimal score value: -3.6031
• Maximal score value: 2.4986
• Average score: -0.6385
• Total score value: -316.714

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	Q	H	-1.4987
2	V	H	-1.1090
3	Q	H	-1.8937
4	L	H	0.0000
5	Q	H	-1.8567
6	E	H	0.0000
7	S	H	-0.6275
8	G	H	-0.2871
9	P	H	-0.5669
10	G	H	-0.5044
11	L	H	-0.5313
12	V	H	0.0000
13	R	H	-2.3219
14	P	H	-1.5104
15	S	H	-1.4228
16	Q	H	-1.9798
17	T	H	-1.4313
18	L	H	0.0000
19	S	H	-0.7483
20	L	H	0.0000
21	T	H	-0.5336
22	C	H	0.0000
23	T	H	-1.1546
24	V	H	0.0000
25	S	H	-1.2979
26	G	H	-0.9853
27	Y	H	-0.3651
28	S	H	-0.4169
29	I	H	0.0000
30	T	H	-0.2633
31	S	H	-0.1814
32	D	H	0.0000
33	H	H	-0.2418
34	A	H	0.0000
35	W	H	0.0000
36	S	H	0.0000
37	W	H	0.0000
38	V	H	0.0000
39	R	H	0.0000
40	Q	H	-0.8946
41	P	H	-0.9596
42	P	H	-0.9510
43	G	H	-1.5324
44	R	H	-2.5383
45	G	H	-1.7274
46	L	H	0.0000
47	E	H	-1.5249
48	W	H	0.0000
49	I	H	0.0000
50	G	H	0.0000
51	Y	H	0.0000
52	I	H	0.0000
53	S	H	0.0000
54	Y	H	0.0000
55	S	H	0.4385
56	G	H	0.1222
57	I	H	0.5576
58	T	H	0.2417
59	T	H	-0.1519
60	Y	H	-0.3116
61	N	H	-0.9667
62	P	H	-1.0438
63	S	H	-1.0387
64	L	H	-0.8720
65	K	H	-1.8589
66	S	H	-1.1821
67	R	H	-1.2490
68	V	H	0.0000
69	T	H	-0.5740
70	M	H	0.0000
71	L	H	0.2235
72	R	H	-0.7565
73	D	H	-1.6982
74	T	H	-1.4243
75	S	H	-1.5432
76	K	H	-2.3248
77	N	H	-1.5719
78	Q	H	0.0000
79	F	H	0.0000
80	S	H	0.0000
81	L	H	0.0000
82	R	H	-1.1161
83	L	H	0.0000
84	S	H	-1.0161
85	S	H	-1.2049
86	V	H	0.0000
87	T	H	-0.6402
88	A	H	-0.2704
89	A	H	0.0443
90	D	H	0.0000
91	T	H	0.0604
92	A	H	0.0000
93	V	H	0.1362
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	S	H	0.0000
100	L	H	0.0000
101	A	H	0.0000
102	R	H	0.0000
103	T	H	0.0000
104	T	H	0.0000
105	A	H	0.0000
106	M	H	0.0000
107	D	H	-0.0996
108	Y	H	-0.1175
109	W	H	0.0000
110	G	H	0.0000
111	Q	H	-1.9812
112	G	H	0.0000
113	S	H	-0.3578
114	L	H	0.0755
115	V	H	0.0000
116	T	H	-0.3148
117	V	H	0.0000
118	S	H	-0.7095
119	S	H	-0.8466
120	A	H	-0.6570
121	S	H	-0.8347
122	T	H	-1.2622
123	K	H	-1.7610
124	G	H	-1.6695
125	P	H	0.0000
126	S	H	-0.5911
127	V	H	0.0000
128	F	H	-0.8601
129	P	H	-1.1925
130	L	H	0.0000
131	A	H	-0.8563
132	P	H	-0.4658
141	T	H	-0.2248
142	A	H	-0.1322
143	A	H	0.0000
144	L	H	0.0000
145	G	H	0.0000
146	C	H	0.0000
147	L	H	0.0000
148	V	H	0.0000
149	K	H	0.0000
150	D	H	-0.9244
151	Y	H	0.0000
152	F	H	-0.4435
153	P	H	0.0000
154	E	H	-0.8040
155	P	H	-0.7387
156	V	H	-0.8261
157	T	H	-0.5279
158	V	H	0.0000
159	S	H	-0.5312
160	W	H	0.0000
161	N	H	-0.7568
162	S	H	-0.7212
163	G	H	-0.6204
164	A	H	-0.1836
165	L	H	0.0708
166	T	H	-0.0626
167	S	H	-0.2103
168	G	H	-0.1202
169	V	H	0.4946
170	H	H	0.0000
171	T	H	-0.0125
172	F	H	0.0000
173	P	H	-0.4219
174	A	H	0.2020
175	V	H	0.7864
176	L	H	1.5580
177	Q	H	0.3178
178	S	H	-0.0661
179	S	H	-0.1989
180	G	H	0.2139
181	L	H	0.0000
182	Y	H	0.3851
183	S	H	0.0000
184	L	H	0.0000
185	S	H	0.0000
186	S	H	0.0000
187	V	H	0.0000
188	V	H	0.0000
189	T	H	-0.0263
190	V	H	0.0000
191	P	H	-0.3851
192	S	H	-0.4146
193	S	H	-0.5266
194	S	H	-0.6126
195	L	H	-0.7707
196	G	H	-1.0486
197	T	H	-0.7257
198	Q	H	-1.1744
199	T	H	-1.1538
200	Y	H	0.0000
201	I	H	-1.0722
202	C	H	0.0000
203	N	H	-1.7675
204	V	H	0.0000
205	N	H	-2.1449
206	H	H	0.0000
207	K	H	-2.3118
208	P	H	-1.5269
209	S	H	-1.7983
210	N	H	-2.4484
211	T	H	-2.2196
212	K	H	-2.8213
213	V	H	-1.7562
214	D	H	-2.6718
215	K	H	-2.1480
216	K	H	-2.4096
217	V	H	0.0000
218	E	H	-2.4675
219	P	H	-1.2194
1	D	L	-2.1346
2	I	L	-1.9010
3	Q	L	-2.0043
4	M	L	0.0000
5	T	L	-1.0304
6	Q	L	0.0000
7	S	L	-0.7587
8	P	L	-0.6117
9	S	L	-0.8173
10	S	L	-0.8311
11	L	L	-0.5931
12	S	L	-0.8265
13	A	L	0.0000
14	S	L	-0.7232
15	V	L	0.0902
16	G	L	-0.9155
17	D	L	-1.9362
18	R	L	-2.4165
19	V	L	0.0000
20	T	L	-0.6440
21	I	L	0.0000
22	T	L	-0.8038
23	C	L	0.0000
24	R	L	-2.4600
25	A	L	-2.0592
26	S	L	-1.9106
27	Q	L	-2.6110
28	D	L	-2.8065
29	I	L	0.0000
30	S	L	-0.9203
31	S	L	-0.5070
32	Y	L	0.0000
33	L	L	0.0000
34	N	L	0.0000
35	W	L	0.0000
36	Y	L	0.0000
37	Q	L	-0.8153
38	Q	L	0.0000
39	K	L	-1.5210
40	P	L	-1.3370
41	G	L	-1.6359
42	K	L	-2.4219
43	A	L	-1.4530
44	P	L	0.0000
45	K	L	-0.9949
46	L	L	0.0000
47	L	L	0.0000
48	I	L	0.0000
49	Y	L	0.0000
50	Y	L	0.0000
51	T	L	0.0000
52	S	L	-1.1335
53	R	L	-1.8104
54	L	L	-0.6755
55	H	L	-0.6673
56	S	L	-0.5680
57	G	L	-0.5288
58	V	L	-0.1866
59	P	L	-0.2979
60	S	L	-0.3472
61	R	L	-0.7439
62	F	L	0.0000
63	S	L	-0.5723
64	G	L	-0.5653
65	S	L	-0.9108
66	G	L	-1.1650
67	S	L	-1.3641
68	G	L	0.0000
69	T	L	-2.3303
70	D	L	-2.7395
71	F	L	0.0000
72	T	L	-0.7958
73	F	L	0.0000
74	T	L	-0.7833
75	I	L	0.0000
76	S	L	-1.4415
77	S	L	-1.2610
78	L	L	0.0000
79	Q	L	-1.0074
80	P	L	-1.7681
81	E	L	-1.8443
82	D	L	0.0000
83	I	L	0.0000
84	A	L	0.0000
85	T	L	-1.1575
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	G	L	0.0000
92	N	L	0.0000
93	T	L	-0.9288
94	L	L	0.0000
95	P	L	-1.0078
96	Y	L	0.0000
97	T	L	-1.0438
98	F	L	0.0000
99	G	L	0.0000
100	Q	L	-1.6618
101	G	L	-1.3382
102	T	L	0.0000
103	K	L	-1.6835
104	V	L	0.0000
105	E	L	-0.9426
106	I	L	0.0000
107	K	L	-0.8536
108	R	L	-0.8212
109	T	L	0.2039
110	V	L	1.2005
111	A	L	0.3388
112	A	L	0.1365
113	P	L	0.0000
114	S	L	-0.1413
115	V	L	0.0000
116	F	L	0.2137
117	I	L	0.1415
118	F	L	0.0000
119	P	L	-0.5709
120	P	L	0.0000
121	S	L	-2.1884
122	D	L	-3.3120
123	E	L	-3.4738
124	Q	L	-2.8503
125	L	L	0.0000
126	K	L	-2.6781
127	S	L	-1.9460
128	G	L	-1.1687
129	T	L	-1.2139
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	-0.8443
139	F	L	0.0000
140	Y	L	-0.4533
141	P	L	-1.1494
142	R	L	-2.3170
143	E	L	-2.9734
144	A	L	-2.2317
145	K	L	-2.7154
146	V	L	-1.7639
147	Q	L	-1.7081
148	W	L	0.0000
149	K	L	-0.8851
150	V	L	0.1577
151	D	L	-1.8110
152	N	L	-2.1261
153	A	L	-1.1693
154	L	L	-0.9481
155	Q	L	-1.6276
156	S	L	-0.9862
157	G	L	-1.2373
158	N	L	-1.1465
159	S	L	-1.2789
160	Q	L	-1.1657
161	E	L	-2.0687
162	S	L	-0.7868
163	V	L	-0.5999
164	T	L	-0.7284
165	E	L	-1.4911
166	Q	L	0.0000
167	D	L	-2.6322
168	S	L	-2.4967
169	K	L	-3.2478
170	D	L	-3.2470
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	0.0000
179	L	L	0.0000
180	T	L	-0.4618
181	L	L	-0.8098
182	S	L	-1.5770
183	K	L	-2.7103
184	A	L	-2.2787
185	D	L	-3.1089
186	Y	L	-2.8952
187	E	L	-3.6031
188	K	L	-3.5531
189	H	L	-2.7839
190	K	L	-2.1654
191	V	L	-0.6157
192	Y	L	0.0000
193	A	L	0.0000
194	C	L	0.0000
195	E	L	-1.2262
196	V	L	0.0000
197	T	L	-1.3716
198	H	L	0.0000
199	Q	L	-1.6839
200	G	L	-0.4458
201	L	L	-0.3807
202	S	L	-0.4932
203	S	L	-0.4658
204	P	L	-0.6614
205	V	L	-0.0113
206	T	L	-0.2595
207	K	L	-0.5485
208	S	L	-0.3916
209	F	L	-0.5025
215	Q	I	-1.4679
216	P	I	0.0000
217	D	I	-1.3876
218	P	I	-1.2763
219	P	I	0.0000
220	A	I	-1.3479
221	N	I	-1.5664
222	I	I	-0.2328
223	T	I	0.8998
224	V	I	2.0884
236	V	I	1.3345
237	T	I	-0.1001
238	W	I	0.0000
239	Q	I	-1.8722
240	D	I	-1.8909
241	P	I	0.0000
242	H	I	-1.7857
243	S	I	-1.4057
244	W	I	0.0000
245	N	I	-1.6582
246	S	I	-0.3050
247	S	I	0.2560
248	F	I	1.7109
249	Y	I	0.0000
250	R	I	-0.5662
251	L	I	0.0000
252	R	I	0.0000
253	F	I	0.0000
254	E	I	0.0000
255	L	I	0.0000
256	R	I	-0.1303
257	Y	I	0.0604
258	R	I	-1.2336
259	A	I	-0.6073
267	T	I	-0.0062
268	W	I	0.5330
269	M	I	-0.1103
270	V	I	0.0000
271	K	I	-1.5880
272	D	I	-1.5855
273	L	I	-1.0961
274	Q	I	-1.8498
275	H	I	-1.6194
276	H	I	-1.4752
288	H	I	-0.2639
289	V	I	0.5339
290	V	I	0.0000
291	Q	I	-0.6974
292	L	I	0.0000
293	R	I	-0.7973
294	A	I	0.0000
295	Q	I	0.0000
296	E	I	0.0000
297	E	I	0.0000
298	F	I	0.0000
299	G	I	0.0000
300	Q	I	-1.0812
301	G	I	-1.4743
302	E	I	-2.2746
303	W	I	-1.5985
304	S	I	0.0000
305	E	I	-2.1900
306	W	I	-1.2220
307	S	I	0.0000
308	P	I	-1.1300
309	E	I	-1.3260
103	F	B	1.7075
104	R	B	0.4018
105	K	B	-0.4029
106	S	B	0.0000
107	P	B	0.2373
108	L	B	1.4382
109	S	B	0.3125
110	N	B	0.3250
111	V	B	2.2924
112	V	B	2.4986