Project name: 6834ff071738399

Chain sequence(s)	H: VQLVESGGGLIQPGGSLRLSCAASGITVSSNYMSWVRQAPGKGLEWVSVMYAGGSTFYADSVKGRFTISRDDSKNTLFLQMNSLRAEDTAIYYCARDLYSSGGTDIWGQGTMVTVSSASTKGPSVFPLAPSSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVEPK; L: EIVLTQSPGTLSLSPGERATLSCRASQSIGSSYLAWYQQKPGLAPRLLIYGASRRATGIPDKFSGSGSGADFTLTISRLEPEDFAVYYCQQYGSSPGTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRG
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                                          (00:02:59)
[INFO]       Main:     Simulation completed successfully.                                          (00:03:01)

• Minimal score value: -3.812
• Maximal score value: 1.5519
• Average score: -0.7324
• Total score value: -309.0522

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
2	V	H	1.0768
3	Q	H	-0.1962
4	L	H	0.0000
5	V	H	0.6634
6	E	H	0.0000
7	S	H	-0.4419
8	G	H	-0.8031
9	G	H	-0.3071
11	G	H	-0.1512
12	L	H	-0.0483
13	I	H	-0.4513
14	Q	H	-1.5053
15	P	H	-1.8159
16	G	H	-1.4830
17	G	H	-1.0982
18	S	H	-1.2789
19	L	H	-1.0767
20	R	H	-2.0150
21	L	H	0.0000
22	S	H	-0.3772
23	C	H	0.0000
24	A	H	-0.1972
25	A	H	-0.1390
26	S	H	0.0377
27	G	H	0.0147
28	I	H	0.0806
29	T	H	-0.7555
30	V	H	0.0000
35	S	H	-0.8507
36	S	H	-0.4524
37	N	H	-0.0290
38	Y	H	0.2979
39	M	H	0.0000
40	S	H	0.0000
41	W	H	0.0000
42	V	H	0.0000
43	R	H	0.0000
44	Q	H	-0.6463
45	A	H	-1.0965
46	P	H	-1.1743
47	G	H	-1.6110
48	K	H	-2.4259
49	G	H	-1.5693
50	L	H	0.0000
51	E	H	-1.0713
52	W	H	0.0000
53	V	H	0.0000
54	S	H	0.0000
55	V	H	0.0000
56	M	H	0.0000
57	Y	H	0.2440
58	A	H	-0.1634
59	G	H	-0.5032
63	G	H	-0.3788
64	S	H	-0.1144
65	T	H	0.2805
66	F	H	0.3360
67	Y	H	-0.5949
68	A	H	-1.2642
69	D	H	-2.4057
70	S	H	-1.8099
71	V	H	0.0000
72	K	H	-2.5129
74	G	H	-1.7990
75	R	H	-1.5420
76	F	H	0.0000
77	T	H	-0.7179
78	I	H	0.0000
79	S	H	-0.5508
80	R	H	-1.3519
81	D	H	-2.0759
82	D	H	-2.8825
83	S	H	-2.1619
84	K	H	-2.6823
85	N	H	-2.0969
86	T	H	0.0000
87	L	H	0.0000
88	F	H	-0.4372
89	L	H	0.0000
90	Q	H	-1.1324
91	M	H	0.0000
92	N	H	-1.5806
93	S	H	-1.3426
94	L	H	0.0000
95	R	H	-2.6948
96	A	H	-1.8870
97	E	H	-2.4121
98	D	H	0.0000
99	T	H	-0.6794
100	A	H	0.0000
101	I	H	0.5688
102	Y	H	0.0000
103	Y	H	0.0000
104	C	H	0.0000
105	A	H	0.0000
106	R	H	-0.1746
107	D	H	0.0000
108	L	H	0.2385
109	Y	H	0.0000
110	S	H	-0.0883
112	S	H	-0.0974
113	G	H	0.0000
114	G	H	0.0000
115	T	H	0.0000
116	D	H	-0.5694
117	I	H	-0.1179
118	W	H	-0.2141
119	G	H	0.0000
120	Q	H	-0.6785
121	G	H	-0.0119
122	T	H	0.0505
123	M	H	0.3666
124	V	H	0.0000
125	T	H	0.0000
126	V	H	0.0000
127	S	H	-0.9266
129	A	H	-0.3052
130	S	H	-0.5654
131	T	H	-0.6507
132	K	H	-1.3111
133	G	H	-1.6273
134	P	H	-0.8553
135	S	H	-0.4432
136	V	H	0.0000
137	F	H	-0.7937
138	P	H	-1.1904
139	L	H	0.0000
140	A	H	0.0000
141	P	H	-0.7890
142	S	H	-1.1605
143	S	H	-0.7235
144	G	H	-0.7830
145	G	H	-0.8866
146	T	H	-0.5959
147	A	H	0.0000
148	A	H	0.0000
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	-0.4140
155	D	H	-0.6697
156	Y	H	0.0000
157	F	H	-0.3809
158	P	H	0.0000
159	E	H	-0.3851
160	P	H	-0.6783
161	V	H	-0.7217
162	T	H	-0.6718
163	V	H	-0.3080
164	S	H	-0.3506
165	W	H	0.0000
166	N	H	-0.8350
167	S	H	-0.6110
168	G	H	-0.5131
169	A	H	-0.2781
170	L	H	-0.0718
171	T	H	-0.2024
172	S	H	-0.2085
173	G	H	-0.2612
174	V	H	0.1436
175	H	H	-0.3196
176	T	H	0.0435
177	F	H	0.0000
178	P	H	-0.2534
179	A	H	0.3085
180	V	H	0.7909
181	L	H	1.5519
182	Q	H	0.3832
183	S	H	-0.0277
184	S	H	-0.2438
185	G	H	0.0549
186	L	H	0.0216
187	Y	H	0.4518
188	S	H	0.0000
189	L	H	0.1286
190	S	H	0.0000
191	S	H	0.0000
192	V	H	0.0000
193	V	H	0.0000
194	T	H	-0.1488
195	V	H	0.0000
196	P	H	-0.5649
197	S	H	-0.6179
198	S	H	-0.5217
199	S	H	-0.6330
200	L	H	-0.8145
201	G	H	-1.0430
202	T	H	-0.8572
203	Q	H	-1.5217
204	T	H	-1.4391
205	Y	H	0.0000
206	I	H	-1.3288
207	C	H	0.0000
208	N	H	0.0000
209	V	H	0.0000
210	N	H	-2.1990
211	H	H	0.0000
212	K	H	-2.7968
213	P	H	-1.6173
214	S	H	-1.8703
215	N	H	-2.5629
216	T	H	-2.2310
217	K	H	-2.6714
218	V	H	-1.5606
219	D	H	-2.1562
220	K	H	-2.1393
221	R	H	-2.7980
222	V	H	0.0000
223	E	H	-3.0338
224	P	H	-2.1576
225	K	H	-2.3270
1	E	L	-1.4648
2	I	L	-0.1857
3	V	L	0.7361
4	L	L	0.0000
5	T	L	-0.8430
6	Q	L	0.0000
8	P	L	-0.6711
9	G	L	-1.0116
10	T	L	-0.7931
12	S	L	-0.7060
13	L	L	-1.2210
14	S	L	-1.8446
15	P	L	-2.5664
16	G	L	-2.5744
17	E	L	-3.2548
18	R	L	-3.1544
19	A	L	0.0000
20	T	L	-0.7524
21	L	L	0.0000
22	S	L	-1.1072
23	C	L	0.0000
24	R	L	-2.6132
25	A	L	0.0000
26	S	L	-1.0425
27	Q	L	-1.6795
29	I	L	-0.7101
30	G	L	-0.7273
37	S	L	-0.4428
38	Y	L	0.1786
39	L	L	0.0000
40	A	L	0.0000
41	W	L	0.0000
42	Y	L	0.0000
43	Q	L	0.0000
44	Q	L	0.0000
45	K	L	-0.5309
46	P	L	-0.4083
47	G	L	0.0794
48	L	L	0.7526
49	A	L	0.1327
50	P	L	0.0000
51	R	L	-0.7156
52	L	L	0.0000
53	L	L	0.0000
54	I	L	0.0000
55	Y	L	-0.7987
56	G	L	-0.8840
57	A	L	0.0000
65	S	L	-1.5031
66	R	L	-2.3464
67	R	L	-2.0446
68	A	L	-1.1201
69	T	L	-0.7145
70	G	L	-0.7596
71	I	L	-1.0616
72	P	L	-1.2796
74	D	L	-2.1722
75	K	L	-1.8983
76	F	L	0.0000
77	S	L	-1.1654
78	G	L	-1.0274
79	S	L	-1.0167
80	G	L	-1.3993
83	S	L	-1.3168
84	G	L	-1.4240
85	A	L	-2.0615
86	D	L	-2.9749
87	F	L	0.0000
88	T	L	-0.9453
89	L	L	0.0000
90	T	L	-0.9978
91	I	L	0.0000
92	S	L	-2.7910
93	R	L	-3.4716
94	L	L	0.0000
95	E	L	-3.6171
96	P	L	-2.9470
97	E	L	-3.2401
98	D	L	0.0000
99	F	L	0.0000
100	A	L	0.0000
101	V	L	-0.4679
102	Y	L	0.0000
103	Y	L	0.0000
104	C	L	0.0000
105	Q	L	0.0000
106	Q	L	0.0000
107	Y	L	0.0000
108	G	L	-0.2775
109	S	L	-0.3370
114	S	L	0.0950
115	P	L	0.1007
116	G	L	0.0000
117	T	L	-0.0623
118	F	L	0.0549
119	G	L	0.0000
120	Q	L	-1.5675
121	G	L	0.0000
122	T	L	0.0000
123	K	L	-1.1768
124	V	L	0.0000
125	E	L	-1.4979
126	I	L	0.0000
127	K	L	-1.4534
128	R	L	-1.1163
129	T	L	-0.1961
130	V	L	0.1364
131	A	L	-0.1885
132	A	L	-0.2008
133	P	L	0.0000
134	S	L	-0.2357
135	V	L	0.0000
136	F	L	-0.0573
137	I	L	0.0000
138	F	L	0.0000
139	P	L	0.0000
140	P	L	0.0000
141	S	L	0.0000
142	D	L	-3.1317
143	E	L	-3.1934
144	Q	L	0.0000
145	L	L	-2.3451
146	K	L	-2.9452
147	S	L	-1.8516
148	G	L	-1.4134
149	T	L	-1.1934
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	L	L	0.0000
156	L	L	0.0000
157	N	L	0.0000
158	N	L	-0.9635
159	F	L	0.0000
160	Y	L	0.0000
161	P	L	-1.7005
162	R	L	-3.0590
163	E	L	-3.2238
164	A	L	-2.3418
165	K	L	-2.4159
166	V	L	-1.1287
167	Q	L	-0.5912
168	W	L	0.0000
169	K	L	-0.6789
170	V	L	0.0000
171	D	L	-2.0023
172	N	L	-1.5933
173	A	L	-0.2826
174	L	L	0.7112
175	Q	L	-0.2830
176	S	L	-0.6260
177	G	L	-1.1909
178	N	L	-1.4233
179	S	L	-1.4258
180	Q	L	-1.5582
181	E	L	-1.8922
182	S	L	-0.8053
183	V	L	-0.9118
184	T	L	-1.1563
185	E	L	-2.1606
186	Q	L	0.0000
187	D	L	-2.0917
188	S	L	-2.6913
189	K	L	-3.0469
190	D	L	-2.4608
191	S	L	0.0000
192	T	L	0.0000
193	Y	L	-1.3283
194	S	L	0.0000
195	L	L	0.0000
196	S	L	0.0000
197	S	L	0.0000
198	T	L	-0.7561
199	L	L	0.0000
200	T	L	-0.5938
201	L	L	-0.8055
202	S	L	-1.0567
203	K	L	-2.0579
204	A	L	-1.9304
205	D	L	-2.6459
206	Y	L	0.0000
207	E	L	-3.8089
208	K	L	-3.8120
209	H	L	-3.4674
210	K	L	-3.4970
211	V	L	-1.8906
212	Y	L	0.0000
213	A	L	0.0000
214	C	L	0.0000
215	E	L	-0.9087
216	V	L	0.0000
217	T	L	-1.2112
218	H	L	0.0000
219	Q	L	-1.7959
220	G	L	-0.4855
221	L	L	-0.2692
222	S	L	-0.4425
223	S	L	-0.4279
224	P	L	-0.5541
225	V	L	-0.1177
226	T	L	-0.5930
227	K	L	-0.9190
228	S	L	-0.9756
229	F	L	0.0000
230	N	L	-2.3376
231	R	L	-2.6527
232	G	L	-1.7902