Project name: 947ea38ce4d4fac

Chain sequence(s)	H: QVQLQQSGSELVRPGASVKLSCRASGYTFTTYWMHWVKQRPGQGLEWIGNIYPHSGNTNYDERFKSKATLTVDTSSSTAYMQLSSLTSEDSAVYYCTRDLRGFAYWGQGTTVTVSSPKTTPPSVYPLAPAAASMVTLGCLVKGYFPEPVTVTWNSGSLSSGVHTFPAVLQSDLYTLSSSVTVPSSTWPSETVTCNVAHPASSTKVDKKIVPR; L: DIELTQSPAIMSASPGEKVTMTCSASSSLRYMHWYQQKSGTSPKRWIYDTYNLASGVPVRFSGSGSGTSYSLTISSMEAEDAATYYCQQWSSNPPTFGAGTKLELKRADAAPTVSIFPPSSEQLTSGGASVVCFLNNFYPKDINVKWKIDGSERQNGVLNSWTDQDSKDSTYSMSSTLTLTKDEYERHNSYTCEATHKTSTSPIVKSFNRNEC
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]                                                (00:00:00)
[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                                          (00:06:52)
[INFO]       Main:     Simulation completed successfully.                                          (00:06:56)

• Minimal score value: -3.9826
• Maximal score value: 1.9182
• Average score: -0.6077
• Total score value: -258.2671

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	-1.0011
2	V	H	-0.4209
3	Q	H	-1.0146
4	L	H	-0.5086
5	Q	H	-1.6234
6	Q	H	-1.5610
7	S	H	-1.1909
8	G	H	-1.1828
9	S	H	-1.1666
11	E	H	-1.7335
12	L	H	-0.6258
13	V	H	-0.2762
14	R	H	-1.6942
15	P	H	-1.0357
16	G	H	-0.8896
17	A	H	-0.6981
18	S	H	-0.4743
19	V	H	-0.6508
20	K	H	-1.6411
21	L	H	0.0000
22	S	H	-1.1929
23	C	H	0.0000
24	R	H	-2.0970
25	A	H	0.0000
26	S	H	-0.5788
27	G	H	-0.0925
28	Y	H	0.7352
29	T	H	1.1123
30	F	H	1.9182
35	T	H	1.1677
36	T	H	0.5422
37	Y	H	0.8954
38	W	H	0.3484
39	M	H	0.0000
40	H	H	0.0341
41	W	H	0.0000
42	V	H	0.0000
43	K	H	0.0000
44	Q	H	0.0000
45	R	H	-1.4843
46	P	H	-0.9999
47	G	H	-1.1093
48	Q	H	-1.1049
49	G	H	-0.8657
50	L	H	0.0000
51	E	H	-0.9924
52	W	H	0.0000
53	I	H	0.0000
54	G	H	0.0000
55	N	H	0.0000
56	I	H	0.0000
57	Y	H	-0.3890
58	P	H	-0.3973
59	H	H	-1.0095
62	S	H	-1.1283
63	G	H	-1.2219
64	N	H	-1.6503
65	T	H	-0.7574
66	N	H	-0.8095
67	Y	H	-1.0081
68	D	H	-2.3604
69	E	H	-3.4660
70	R	H	-3.4614
71	F	H	0.0000
72	K	H	-3.4968
74	S	H	-2.5255
75	K	H	-2.5731
76	A	H	0.0000
77	T	H	-0.8854
78	L	H	0.0000
79	T	H	-0.2130
80	V	H	-0.3304
81	D	H	-0.6430
82	T	H	-0.2611
83	S	H	-0.5040
84	S	H	-0.7672
85	S	H	-0.5015
86	T	H	-0.8274
87	A	H	0.0000
88	Y	H	-0.4968
89	M	H	0.0000
90	Q	H	0.0000
91	L	H	0.0000
92	S	H	-1.2504
93	S	H	-0.8083
94	L	H	-0.7520
95	T	H	-0.5600
96	S	H	-0.9623
97	E	H	-1.9249
98	D	H	0.0000
99	S	H	-0.7495
100	A	H	0.0000
101	V	H	-0.3395
102	Y	H	0.0000
103	Y	H	0.0000
104	C	H	0.0000
105	T	H	0.0000
106	R	H	0.0000
107	D	H	-0.0995
108	L	H	-0.2043
109	R	H	-1.5964
114	G	H	0.0000
115	F	H	0.0000
116	A	H	-0.2094
117	Y	H	0.4881
118	W	H	-0.2120
119	G	H	-0.9344
120	Q	H	-1.3131
121	G	H	-0.9283
122	T	H	0.0000
123	T	H	-0.6547
124	V	H	0.0000
125	T	H	-0.6210
126	V	H	-0.3669
127	S	H	-0.6621
128	S	H	-0.8202
129	P	H	-1.2382
130	K	H	-1.7464
131	T	H	-0.8593
132	T	H	-0.5128
133	P	H	-0.7490
134	P	H	0.0000
135	S	H	-0.5715
136	V	H	0.0000
137	Y	H	-0.6149
138	P	H	-0.5429
139	L	H	0.0000
140	A	H	-0.0406
141	P	H	-0.2270
142	A	H	-0.6478
143	A	H	0.2581
144	A	H	0.3505
145	S	H	0.3101
146	M	H	1.0089
147	V	H	0.7271
148	T	H	0.3278
149	L	H	0.0000
150	G	H	0.0000
151	C	H	0.0000
152	L	H	0.0000
153	V	H	0.0000
154	K	H	-0.3801
155	G	H	-0.2532
156	Y	H	0.0000
157	F	H	-0.2944
158	P	H	0.0000
159	E	H	-1.0269
160	P	H	-0.5404
161	V	H	0.3174
162	T	H	0.2444
163	V	H	0.6077
164	T	H	-0.1002
165	W	H	0.0000
166	N	H	-0.8894
167	S	H	-0.5447
168	G	H	-0.7264
169	S	H	-0.4574
170	L	H	-0.0356
171	S	H	-0.2968
172	S	H	-0.2762
173	G	H	-0.1277
174	V	H	0.1453
175	H	H	-0.5618
176	T	H	-0.3034
177	F	H	0.0000
178	P	H	0.0646
179	A	H	0.7465
180	V	H	1.4106
181	L	H	1.2943
182	Q	H	-0.0062
183	S	H	-0.8053
184	D	H	-1.2125
185	L	H	-0.0557
186	Y	H	0.4905
187	T	H	0.0000
188	L	H	0.0000
189	S	H	0.0000
190	S	H	0.0000
191	S	H	0.0301
192	V	H	0.0000
193	T	H	0.2164
194	V	H	0.0000
195	P	H	0.2750
196	S	H	0.0494
197	S	H	-0.4791
198	T	H	-0.6958
199	W	H	-0.2853
200	P	H	-0.5405
201	S	H	-1.0797
202	E	H	-1.8355
203	T	H	-1.1647
204	V	H	0.0000
205	T	H	-1.4703
206	C	H	0.0000
207	N	H	-1.4541
208	V	H	0.0000
209	A	H	-0.8057
210	H	H	0.0000
211	P	H	-0.5498
212	A	H	-0.5646
213	S	H	-0.6528
214	S	H	-0.7560
215	T	H	-1.0128
216	K	H	-2.1647
217	V	H	-1.7130
218	D	H	-2.9618
219	K	H	-2.3921
220	K	H	-2.1924
221	I	H	0.0000
222	V	H	0.4927
223	P	H	-0.1465
224	R	H	-1.3501
1	D	L	-1.0907
2	I	L	-0.0189
3	E	L	-1.4271
4	L	L	0.0000
5	T	L	-0.6140
6	Q	L	-0.4038
7	S	L	-0.1439
8	P	L	0.3049
9	A	L	0.7843
10	I	L	1.7958
11	M	L	0.8429
12	S	L	-0.1087
13	A	L	0.0000
14	S	L	-1.8036
15	P	L	-2.1316
16	G	L	-2.0698
17	E	L	-2.9746
18	K	L	-2.7187
19	V	L	0.0000
20	T	L	-0.7903
21	M	L	0.0000
22	T	L	-0.2829
23	C	L	0.0000
24	S	L	-0.6195
25	A	L	0.0000
26	S	L	-0.4507
27	S	L	-0.3977
28	S	L	-0.6440
29	L	L	-0.6441
37	R	L	-1.5493
38	Y	L	0.0565
39	M	L	0.0000
40	H	L	0.0000
41	W	L	0.0000
42	Y	L	0.0000
43	Q	L	0.0000
44	Q	L	-1.1252
45	K	L	-1.6363
46	S	L	-1.3152
47	G	L	-1.0569
48	T	L	-1.0112
49	S	L	0.0000
50	P	L	0.0000
51	K	L	-1.2277
52	R	L	-0.4320
53	W	L	0.0979
54	I	L	0.0000
55	Y	L	0.3697
56	D	L	0.0000
57	T	L	0.4616
65	Y	L	1.2988
66	N	L	0.5441
67	L	L	1.6027
68	A	L	0.4454
69	S	L	-0.1913
70	G	L	-0.2243
71	V	L	0.4235
72	P	L	0.8502
74	V	L	1.7589
75	R	L	0.3685
76	F	L	0.0000
77	S	L	0.4147
78	G	L	0.2407
79	S	L	0.0206
80	G	L	-0.3200
83	S	L	-0.7147
84	G	L	-0.6676
85	T	L	-0.3636
86	S	L	-0.4762
87	Y	L	0.0000
88	S	L	-0.2956
89	L	L	0.0000
90	T	L	-0.5493
91	I	L	0.0000
92	S	L	-1.0014
93	S	L	-1.7543
94	M	L	0.0000
95	E	L	-2.2872
96	A	L	-1.5690
97	E	L	-2.3072
98	D	L	0.0000
99	A	L	-1.1079
100	A	L	0.0000
101	T	L	-0.4141
102	Y	L	0.0000
103	Y	L	0.0000
104	C	L	0.0000
105	Q	L	0.0000
106	Q	L	0.1384
107	W	L	0.9291
108	S	L	-0.0970
109	S	L	-0.6336
114	N	L	-1.5458
115	P	L	-0.5508
116	P	L	-0.4799
117	T	L	-0.4587
118	F	L	0.0000
119	G	L	0.0000
120	A	L	-0.5213
121	G	L	0.0000
122	T	L	0.0000
123	K	L	-0.0689
124	L	L	0.0000
125	E	L	0.0000
126	L	L	0.0000
127	K	L	-1.6564
128	R	L	-2.5945
129	A	L	-1.4654
130	D	L	-1.8949
131	A	L	-0.9879
132	A	L	-0.5875
133	P	L	-0.4074
134	T	L	-0.0527
135	V	L	0.0000
136	S	L	-0.1186
137	I	L	0.0000
138	F	L	0.0000
139	P	L	-0.4101
140	P	L	-0.3245
141	S	L	-0.9416
142	S	L	-1.1798
143	E	L	-1.9119
144	Q	L	0.0000
145	L	L	-1.0472
146	T	L	-0.9717
147	S	L	-0.9976
148	G	L	-1.2356
149	G	L	-1.0546
150	A	L	0.0000
151	S	L	0.0000
152	V	L	0.0000
153	V	L	0.0000
154	C	L	0.0000
155	F	L	0.0000
156	L	L	0.0000
157	N	L	-0.7943
158	N	L	-1.3807
159	F	L	0.0000
160	Y	L	0.0000
161	P	L	-1.5665
162	K	L	-1.3004
163	D	L	-2.3511
164	I	L	-1.6465
165	N	L	-1.8397
166	V	L	-1.0960
167	K	L	-1.6592
168	W	L	0.0000
169	K	L	-2.2989
170	I	L	0.0000
171	D	L	-3.0457
172	G	L	-2.1394
173	S	L	-2.0484
174	E	L	-3.2303
175	R	L	-2.5481
176	Q	L	-2.4528
177	N	L	-2.0334
178	G	L	-0.8371
179	V	L	-0.4256
180	L	L	-0.0348
181	N	L	-0.1965
182	S	L	0.0000
183	W	L	-0.2170
184	T	L	0.0000
185	D	L	-2.2784
186	Q	L	-2.2173
187	D	L	-2.8464
188	S	L	-2.2678
189	K	L	-3.0058
190	D	L	-3.3456
191	S	L	-2.7001
192	T	L	-2.3015
193	Y	L	0.0000
194	S	L	0.0000
195	M	L	0.0000
196	S	L	0.0000
197	S	L	0.0000
198	T	L	0.0000
199	L	L	0.0000
200	T	L	-0.1187
201	L	L	-0.8532
202	T	L	-1.4917
203	K	L	-2.7165
204	D	L	-3.3468
205	E	L	-2.6585
206	Y	L	0.0000
207	E	L	-3.9826
208	R	L	-3.8920
209	H	L	-3.0586
210	N	L	-2.9699
211	S	L	-1.9396
212	Y	L	0.0000
213	T	L	-0.6110
214	C	L	0.0000
215	E	L	-0.0723
216	A	L	0.0000
217	T	L	-1.0884
218	H	L	-1.5431
219	K	L	-2.3042
220	T	L	-1.2184
221	S	L	-0.6548
222	T	L	-0.5426
223	S	L	-0.1345
224	P	L	0.2420
225	I	L	1.3142
226	V	L	1.5051
227	K	L	-0.0697
228	S	L	-0.4507
229	F	L	-1.1071
230	N	L	-2.2863
231	R	L	-2.8493
232	N	L	-2.6784
233	E	L	-2.4216
234	C	L	-0.9204