Project name: e5e20bd3f471d7b

Chain sequence(s)	H: QVQLVQSGGGVVKPGASLRRLACSASGFTFTDYYMSWIRQTPGKGLQWLAYITKDGSEKKYADSLQGRFAVSRDNANNLVFLQLNTVEDDDTGVYYCARDDGYYDRSGYYGVFDLWGQGIRVTVSSASTKGPSVFPLAPSGTAALGCLVKDYFPEPVVTVSWNSGALTSGVHTFPAVVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSCGRLV; L: LLTQSPDSLAVTLGETATITCRSSRNILHSLNNKNYLAWYQQRPGQAPKLLVIWASMRVSGVADRFSGSGSGTDFALTISSLQPEDAAVYYCQHYYTTHRTFGQGTRVEIRRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGE
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                                        (00:00:02)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:07:18)
[INFO]       Main:     Simulation completed successfully.                                          (00:07:22)

• Minimal score value: -3.543
• Maximal score value: 1.8947
• Average score: -0.7154
• Total score value: -316.9006

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	-0.9851
2	V	H	-0.0114
3	Q	H	-0.4373
4	L	H	0.0000
5	V	H	0.8026
6	Q	H	0.0000
7	S	H	-0.5948
8	G	H	-1.0710
9	G	H	-0.8967
10	G	H	-0.3808
11	V	H	-0.0457
12	V	H	0.0000
13	K	H	-2.2344
14	P	H	-2.0506
15	G	H	-1.6611
16	A	H	-1.1371
17	S	H	-1.2035
18	L	H	-1.2819
19	R	H	-2.2115
20	L	H	0.0000
21	A	H	-0.3585
22	C	H	0.0000
23	S	H	0.0078
24	A	H	0.0000
25	S	H	-0.1893
26	G	H	-0.3298
27	F	H	-0.2213
28	T	H	-0.4965
29	F	H	0.0000
30	T	H	-1.7888
31	D	H	-2.3014
32	Y	H	-1.3951
33	Y	H	0.0000
34	M	H	0.0000
35	S	H	0.0000
36	W	H	0.0000
37	I	H	0.0000
38	R	H	0.0000
39	Q	H	-0.6295
40	T	H	0.0000
41	P	H	-1.1554
42	G	H	-1.6473
43	K	H	-2.1411
44	G	H	-1.3806
45	L	H	0.0000
46	Q	H	-0.6642
47	W	H	0.0000
48	L	H	0.0000
49	A	H	0.0000
50	Y	H	0.0000
51	I	H	0.0000
52	T	H	0.0000
52A	K	H	-2.4438
53	D	H	-2.8646
54	G	H	-1.9900
55	S	H	-1.5727
56	E	H	-1.9329
57	K	H	-1.6391
58	K	H	-1.4142
59	Y	H	-1.0900
60	A	H	0.0000
61	D	H	-2.4941
62	S	H	-1.5188
63	L	H	0.0000
64	Q	H	-2.0917
65	G	H	-1.5735
66	R	H	-1.2850
67	F	H	0.0000
68	A	H	-0.7239
69	V	H	0.0000
70	S	H	-0.7888
71	R	H	-1.1471
72	D	H	-1.4453
73	N	H	-1.6159
74	A	H	-0.9761
75	N	H	-1.6327
76	N	H	-1.1181
77	L	H	-0.4028
78	V	H	0.0000
79	F	H	-0.4794
80	L	H	0.0000
81	Q	H	-1.3804
82	L	H	0.0000
82A	N	H	-1.2807
82B	T	H	-1.1005
82C	V	H	0.0000
83	E	H	-3.1192
84	D	H	-3.5430
85	D	H	-3.3573
86	D	H	0.0000
87	T	H	-1.4316
88	G	H	-0.8260
89	V	H	-0.0183
90	Y	H	0.0000
91	Y	H	0.0000
92	C	H	0.0000
93	A	H	0.0000
94	R	H	-0.7042
95	D	H	0.0000
96	D	H	-1.0530
97	G	H	-0.0482
98	Y	H	1.0331
99	Y	H	0.9385
100	D	H	-0.7109
100A	R	H	-1.9521
100B	S	H	-1.0700
100C	G	H	-0.3993
100D	Y	H	0.0000
100E	Y	H	0.2722
100F	G	H	0.0000
100G	V	H	0.0000
100H	F	H	0.0000
101	D	H	-0.9328
102	L	H	-0.5910
103	W	H	-0.6432
104	G	H	0.0000
105	Q	H	-1.2298
106	G	H	-0.6970
107	I	H	-0.3383
108	R	H	-0.6453
109	V	H	0.0000
110	T	H	0.0000
111	V	H	0.0000
112	S	H	-1.2231
113	S	H	-0.8256
114	A	H	-0.5819
115	S	H	-0.6821
116	T	H	-0.7048
117	K	H	-1.4401
118	G	H	-1.4857
119	P	H	0.0000
120	S	H	-0.4686
121	V	H	0.0000
122	F	H	0.0000
123	P	H	-1.2388
124	L	H	0.0000
125	A	H	-1.2460
126	P	H	0.0000
127	S	H	-0.6998
134	G	H	-0.6577
135	T	H	-0.5231
136	A	H	0.0000
137	A	H	0.0000
138	L	H	0.0000
139	G	H	0.0000
140	C	H	0.0000
141	L	H	0.0000
142	V	H	0.0000
143	K	H	0.0000
144	D	H	-0.6099
145	Y	H	0.0000
146	F	H	0.0000
147	P	H	0.0000
148	E	H	-0.5524
149	P	H	-0.6854
150	V	H	-0.5777
151	T	H	-0.4557
152	V	H	-0.1195
153	S	H	-0.3389
154	W	H	0.0000
155	N	H	-0.6770
156	S	H	-0.6457
157	G	H	-0.4855
158	A	H	-0.2338
159	L	H	-0.0138
160	T	H	-0.1803
161	S	H	-0.1923
162	G	H	-0.2147
163	V	H	0.1631
164	H	H	-0.3222
165	T	H	0.0192
166	F	H	0.0000
167	P	H	-0.4152
168	A	H	0.1197
169	V	H	0.3687
170	L	H	0.9825
171	Q	H	0.1523
172	S	H	-0.1010
173	S	H	-0.2549
174	G	H	-0.0658
175	L	H	-0.0894
176	Y	H	0.0000
177	S	H	0.0000
178	L	H	0.0000
179	S	H	0.0000
180	S	H	0.0000
181	V	H	0.0000
182	V	H	0.0000
183	T	H	-0.1405
184	V	H	0.0000
185	P	H	-0.6064
186	S	H	-0.5636
187	S	H	-0.6002
188	S	H	-0.5805
189	L	H	-0.7822
190	G	H	-1.0709
191	T	H	-0.6999
192	Q	H	-1.2086
193	T	H	-1.0640
194	Y	H	0.0000
195	I	H	-1.1950
196	C	H	0.0000
197	N	H	-1.3714
198	V	H	0.0000
199	N	H	-1.7569
200	H	H	0.0000
201	K	H	-2.7135
202	P	H	-1.7167
203	S	H	-1.9319
204	N	H	-2.5879
205	T	H	-2.0798
206	K	H	-2.6361
207	V	H	-1.5444
208	D	H	-2.4500
209	K	H	-2.0768
210	K	H	-2.2795
211	V	H	0.0000
212	E	H	-2.8419
213	P	H	-1.9884
214	K	H	-1.9784
215	S	H	-0.5624
216	C	H	-0.0364
217	G	H	-0.0518
218	R	H	-0.6098
219	L	H	1.5322
220	V	H	1.8947
3	L	L	0.7172
4	L	L	0.0000
5	T	L	-0.9492
6	Q	L	0.0000
7	S	L	-1.3321
8	P	L	-1.1864
9	D	L	-2.1919
10	S	L	-1.1334
11	L	L	-0.5383
12	A	L	-0.5796
13	V	L	0.0000
14	T	L	-1.1864
15	L	L	-0.4942
16	G	L	-1.1169
17	E	L	-2.0812
18	T	L	-1.1010
19	A	L	0.0000
20	T	L	-0.0997
21	I	L	0.0000
22	T	L	-0.9946
23	C	L	0.0000
24	R	L	-2.5041
25	S	L	0.0000
26	S	L	-1.3881
27	R	L	-2.5207
27A	N	L	-2.4705
27B	I	L	0.0000
27C	L	L	-0.9447
27D	H	L	-0.8129
27E	S	L	-0.3310
27F	L	L	0.5930
28	N	L	-0.8417
29	N	L	-1.6028
30	K	L	-1.3336
31	N	L	-0.9598
32	Y	L	0.0000
33	L	L	0.0000
34	A	L	0.0000
35	W	L	0.0000
36	Y	L	0.0000
37	Q	L	0.0000
38	Q	L	-1.1695
39	R	L	-1.7028
40	P	L	-1.3995
41	G	L	-1.4975
42	Q	L	-2.2085
43	A	L	-1.5148
44	P	L	0.0000
45	K	L	-1.8741
46	L	L	0.0000
47	L	L	0.0000
48	V	L	0.0000
49	I	L	0.4060
50	W	L	0.0725
51	A	L	0.0000
52	S	L	-0.1084
53	M	L	0.5244
54	R	L	-0.5986
55	V	L	-0.0303
56	S	L	-0.3088
57	G	L	-0.6904
58	V	L	-0.5533
59	A	L	-1.0978
60	D	L	-2.1303
61	R	L	-1.3540
62	F	L	0.0000
63	S	L	-0.7657
64	G	L	-0.4706
65	S	L	-0.4999
66	G	L	-0.9716
67	S	L	-1.2241
68	G	L	-1.6495
69	T	L	-2.0504
70	D	L	-2.1823
71	F	L	0.0000
72	A	L	-0.7128
73	L	L	0.0000
74	T	L	-0.2366
75	I	L	0.0000
76	S	L	-1.1406
77	S	L	-1.0698
78	L	L	0.0000
79	Q	L	-1.3107
80	P	L	-1.4109
81	E	L	-2.1739
82	D	L	0.0000
83	A	L	-0.8209
84	A	L	0.0000
85	V	L	-0.3794
86	Y	L	0.0000
87	Y	L	0.0000
88	C	L	0.0000
89	Q	L	0.0000
90	H	L	0.1005
91	Y	L	0.0000
92	Y	L	-0.3122
93	T	L	-0.2449
94	T	L	-0.4049
95	H	L	-1.1877
96	R	L	0.0000
97	T	L	-0.0898
98	F	L	0.0000
99	G	L	0.0000
100	Q	L	-1.4206
101	G	L	0.0000
102	T	L	0.0000
103	R	L	-1.0569
104	V	L	0.0000
105	E	L	0.0000
106	I	L	0.0000
107	R	L	-1.8606
108	R	L	-1.3575
109	T	L	-0.4373
110	V	L	-0.0502
111	A	L	-0.1648
112	A	L	-0.1578
113	P	L	0.0000
114	S	L	-0.0625
115	V	L	0.1316
116	F	L	0.2681
117	I	L	0.2258
118	F	L	0.0000
119	P	L	-0.6603
120	P	L	-0.7965
121	S	L	-1.7985
122	D	L	-2.8890
123	E	L	-2.8277
124	Q	L	0.0000
125	L	L	-2.1497
126	K	L	-2.7652
127	S	L	-1.6908
128	G	L	-1.1331
129	T	L	-1.1231
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	-0.8073
139	F	L	0.0000
140	Y	L	0.0000
141	P	L	-1.6570
142	R	L	-2.5075
143	E	L	-2.9506
144	A	L	-2.1937
145	K	L	-2.4161
146	V	L	-1.2276
147	Q	L	-0.7418
148	W	L	0.0000
149	K	L	-0.6289
150	V	L	0.0000
151	D	L	-1.7231
152	N	L	-1.4872
153	A	L	-0.2425
154	L	L	0.6559
155	Q	L	-0.1397
156	S	L	-0.4228
157	G	L	-0.8990
158	N	L	-0.7925
159	S	L	-1.1954
160	Q	L	-1.5251
161	E	L	-2.0315
162	S	L	-1.0911
163	V	L	-0.8458
164	T	L	-1.1757
165	E	L	-2.2298
166	Q	L	-1.9281
167	D	L	-2.0216
168	S	L	-2.0649
169	K	L	-2.3367
170	D	L	-1.8846
171	S	L	-1.9534
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	-0.6965
179	L	L	0.0000
180	T	L	-0.4175
181	L	L	-0.5944
182	S	L	-0.9556
183	K	L	-1.8625
184	A	L	-1.7414
185	D	L	-2.4601
186	Y	L	0.0000
187	E	L	-3.1458
188	K	L	-3.4187
189	H	L	-2.8440
190	K	L	-2.5589
191	V	L	-1.0022
192	Y	L	0.0000
193	A	L	0.0000
194	C	L	0.0000
195	E	L	-0.7910
196	V	L	0.0000
197	T	L	-1.2786
198	H	L	0.0000
199	Q	L	-1.7459
200	G	L	-0.5145
201	L	L	-0.2770
202	S	L	-0.4658
203	S	L	-0.4635
204	P	L	-0.6910
205	V	L	-0.1059
206	T	L	-0.4874
207	K	L	-0.6083
208	S	L	-0.4278
209	F	L	-0.7480
210	N	L	-1.5746
211	R	L	-2.1179
212	G	L	-1.9180
213	E	L	-2.2552