Project name: 406

Chain sequence(s)	H: EVQLVESGGGLVQPGGSLRLSCAASVSGDAPPAIGKYYMHWVRQAPGKGLEWVGLIAGGEDGITIYDPKFQDRATISADNSKNTAYLQMNSLRAEDTAVYYCARAPFGGAAYIEWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSCDKTH; L: DIQMTQSPSSLSASVGDRVTITCSGGSGADIAWYQQKPGKAPKVLIYNGSLPPGVPSRFSGSGSGTDYTLTISSLQPEDFATYYCAACTRKLTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC
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                                          (00:08:07)
[INFO]       Main:     Simulation completed successfully.                                          (00:08:12)

• Minimal score value: -3.2923
• Maximal score value: 1.4379
• Average score: -0.7505
• Total score value: -331.7323

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	-2.3446
2	V	H	-1.3325
3	Q	H	-1.5278
4	L	H	0.0000
5	V	H	0.0831
6	E	H	0.0000
7	S	H	-0.4896
8	G	H	-0.7301
9	G	H	-0.3675
10	G	H	-0.2441
11	L	H	-0.1025
12	V	H	0.0000
13	Q	H	-1.7256
14	P	H	-1.8979
15	G	H	-1.5425
16	G	H	-1.2320
17	S	H	-1.2951
18	L	H	-1.0146
19	R	H	-1.7080
20	L	H	0.0000
21	S	H	-0.4079
22	C	H	0.0000
23	A	H	-0.3478
24	A	H	0.0000
25	S	H	-0.8083
26	V	H	-1.1297
27	S	H	-1.4977
28	G	H	-1.7969
29	D	H	-2.3262
30	A	H	-1.4504
31	P	H	-0.9989
32	P	H	-1.2918
33	A	H	-1.1058
34	I	H	0.0000
35	G	H	-1.9305
36	K	H	-1.4691
37	Y	H	-0.2011
38	Y	H	0.1489
39	M	H	0.0000
40	H	H	0.0000
41	W	H	0.0000
42	V	H	0.0000
43	R	H	0.0000
44	Q	H	-0.6989
45	A	H	-1.1468
46	P	H	-1.0218
47	G	H	-1.4950
48	K	H	-2.3224
49	G	H	-1.5152
50	L	H	0.0000
51	E	H	-0.7966
52	W	H	0.0000
53	V	H	0.0000
54	G	H	0.0000
55	L	H	0.0000
56	I	H	0.0000
57	A	H	0.0000
58	G	H	-0.9610
59	G	H	0.0000
60	E	H	-2.9342
61	D	H	-2.4414
62	G	H	-0.7947
63	I	H	1.3031
64	T	H	0.7866
65	I	H	0.2860
66	Y	H	-0.7374
67	D	H	-1.6115
68	P	H	-1.9366
69	K	H	-2.5970
70	F	H	0.0000
71	Q	H	-2.6617
72	D	H	-2.9140
73	R	H	-1.9891
74	A	H	0.0000
75	T	H	-0.8625
76	I	H	0.0000
77	S	H	-0.7696
78	A	H	-1.7650
79	D	H	-2.2781
80	N	H	-2.6615
81	S	H	-1.8286
82	K	H	-2.2594
83	N	H	-1.6782
84	T	H	0.0000
85	A	H	0.0000
86	Y	H	-0.4296
87	L	H	0.0000
88	Q	H	-1.0064
89	M	H	0.0000
90	N	H	-1.6108
91	S	H	-1.5012
92	L	H	0.0000
93	R	H	-2.6987
94	A	H	-1.9179
95	E	H	-2.3556
96	D	H	0.0000
97	T	H	-0.7886
98	A	H	0.0000
99	V	H	0.2296
100	Y	H	0.0000
101	Y	H	0.0000
102	C	H	0.0000
103	A	H	0.0000
104	R	H	0.0000
105	A	H	0.0000
106	P	H	0.4722
107	F	H	1.0475
108	G	H	0.0866
109	G	H	-0.6142
110	A	H	0.0000
111	A	H	0.0528
112	Y	H	0.4082
113	I	H	0.0000
114	E	H	-0.5291
115	W	H	-0.5843
116	G	H	0.0000
117	Q	H	-1.5501
118	G	H	0.0000
119	T	H	-0.0591
120	L	H	0.2663
121	V	H	0.0000
122	T	H	-0.4992
123	V	H	0.0000
124	S	H	-1.0532
125	S	H	-0.7362
126	A	H	-0.5222
127	S	H	-0.6435
128	T	H	-0.8658
129	K	H	-1.4171
130	G	H	-1.4408
131	P	H	0.0000
132	S	H	-0.4320
133	V	H	0.0000
134	F	H	0.0000
135	P	H	-1.1505
136	L	H	0.0000
137	A	H	-1.2085
138	P	H	0.0000
139	S	H	-0.8904
140	S	H	-0.6346
141	K	H	-0.7957
142	S	H	0.0000
143	T	H	-0.6062
144	S	H	-0.6802
145	G	H	-0.8292
146	G	H	-0.8916
147	T	H	-0.6036
148	A	H	0.0000
149	A	H	0.0000
150	L	H	0.0000
151	G	H	0.0000
152	C	H	0.0000
153	L	H	0.0000
154	V	H	0.0000
155	K	H	0.0000
156	D	H	-0.3920
157	Y	H	0.0000
158	F	H	0.0000
159	P	H	0.0000
160	E	H	-0.5270
161	P	H	-0.6387
162	V	H	-0.6652
163	T	H	-0.5719
164	V	H	-0.4034
165	S	H	-0.4111
166	W	H	0.0000
167	N	H	-0.7908
168	S	H	-0.6925
169	G	H	-0.5240
170	A	H	-0.2463
171	L	H	0.0125
172	T	H	-0.1464
173	S	H	-0.1374
174	G	H	-0.1138
175	V	H	0.2118
176	H	H	-0.2277
177	T	H	-0.1237
178	F	H	0.0000
179	P	H	-0.1814
180	A	H	0.3358
181	V	H	0.7657
182	L	H	1.4379
183	Q	H	0.4435
184	S	H	-0.0468
185	S	H	-0.1697
186	G	H	0.1238
187	L	H	0.1808
188	Y	H	0.5538
189	S	H	0.0000
190	L	H	0.0000
191	S	H	0.0000
192	S	H	0.0000
193	V	H	0.0000
194	V	H	0.0000
195	T	H	-0.0962
196	V	H	0.0000
197	P	H	-0.5362
198	S	H	-0.5632
199	S	H	-0.5701
200	S	H	0.0000
201	L	H	-0.7468
202	G	H	-0.9444
203	T	H	-0.6666
204	Q	H	-1.0836
205	T	H	-1.0782
206	Y	H	0.0000
207	I	H	-1.3359
208	C	H	0.0000
209	N	H	-1.5286
210	V	H	0.0000
211	N	H	-1.9253
212	H	H	0.0000
213	K	H	-2.7160
214	P	H	-1.5961
215	S	H	-1.8790
216	N	H	-2.5890
217	T	H	-2.0764
218	K	H	-2.7129
219	V	H	-1.6896
220	D	H	-2.6155
221	K	H	-2.2791
222	K	H	-2.5876
223	V	H	0.0000
224	E	H	-2.8346
225	P	H	-1.8467
226	K	H	-2.3463
227	S	H	-1.6679
228	C	H	-1.2560
229	D	H	-2.6889
230	K	H	-2.6991
231	T	H	-1.6743
232	H	H	-1.8833
1	D	L	-1.9481
2	I	L	-1.0537
3	Q	L	-1.5570
4	M	L	0.0000
5	T	L	-0.8546
6	Q	L	0.0000
7	S	L	-0.7132
8	P	L	-0.7570
9	S	L	-1.0356
10	S	L	-1.1573
11	L	L	-0.8762
12	S	L	-1.2035
13	A	L	-1.1529
14	S	L	-1.0520
15	V	L	-0.3344
16	G	L	-0.8879
17	D	L	-2.0338
18	R	L	-2.4252
19	V	L	0.0000
20	T	L	-0.6668
21	I	L	0.0000
22	T	L	-0.6044
23	C	L	0.0000
24	S	L	-1.1868
25	G	L	-0.9843
26	G	L	0.0000
27	S	L	-1.1110
28	G	L	-1.2040
29	A	L	0.0000
30	D	L	-1.6898
31	I	L	0.0000
32	A	L	0.0000
33	W	L	0.0000
34	Y	L	0.0000
35	Q	L	0.0000
36	Q	L	0.0000
37	K	L	-1.8152
38	P	L	-1.3817
39	G	L	-1.5834
40	K	L	-2.5567
41	A	L	-1.7265
42	P	L	0.0000
43	K	L	-1.6729
44	V	L	0.0000
45	L	L	0.0000
46	I	L	0.0000
47	Y	L	-0.4487
48	N	L	-1.6002
49	G	L	-1.2495
50	S	L	-0.4349
51	L	L	0.0933
52	P	L	0.0000
53	P	L	-0.3228
54	G	L	-0.4535
55	V	L	-0.2642
56	P	L	-0.3155
57	S	L	-0.3969
58	R	L	-0.6682
59	F	L	0.0000
60	S	L	-0.3366
61	G	L	-0.5458
62	S	L	-1.0322
63	G	L	-1.3209
64	S	L	-1.4069
65	G	L	-1.3578
66	T	L	-1.4047
67	D	L	-2.1899
68	Y	L	-1.2101
69	T	L	-0.7241
70	L	L	0.0000
71	T	L	-0.5862
72	I	L	0.0000
73	S	L	-1.2946
74	S	L	-1.1868
75	L	L	0.0000
76	Q	L	-1.1880
77	P	L	-1.7146
78	E	L	-2.2547
79	D	L	0.0000
80	F	L	-1.2965
81	A	L	0.0000
82	T	L	0.0000
83	Y	L	0.0000
84	Y	L	0.0000
85	C	L	0.0000
86	A	L	0.0000
87	A	L	0.0000
88	C	L	0.0000
89	T	L	-1.4081
90	R	L	-1.8046
91	K	L	-1.6802
92	L	L	0.0000
93	T	L	-0.8852
94	F	L	-0.4047
95	G	L	0.0000
96	Q	L	-1.7109
97	G	L	0.0000
98	T	L	0.0000
99	K	L	-2.1362
100	V	L	0.0000
101	E	L	-1.5089
102	I	L	0.0000
103	K	L	-1.5126
104	R	L	-0.8582
105	T	L	-0.1181
106	V	L	0.1806
107	A	L	-0.1020
108	A	L	-0.1101
109	P	L	0.0000
110	S	L	-0.1325
111	V	L	-0.1139
112	F	L	0.0000
113	I	L	0.0000
114	F	L	0.0000
115	P	L	-0.5023
116	P	L	0.0000
117	S	L	-1.7389
118	D	L	-2.9796
119	E	L	-2.7391
120	Q	L	0.0000
121	L	L	-2.1050
122	K	L	-2.7442
123	S	L	-1.7257
124	G	L	-1.2519
125	T	L	-0.9601
126	A	L	0.0000
127	S	L	0.0000
128	V	L	0.0000
129	V	L	0.0000
130	C	L	0.0000
131	L	L	0.0000
132	L	L	0.0000
133	N	L	0.0000
134	N	L	-0.7688
135	F	L	0.0000
136	Y	L	0.0000
137	P	L	-1.8041
138	R	L	-3.0908
139	E	L	-3.2923
140	A	L	-2.3815
141	K	L	-2.6446
142	V	L	-1.1958
143	Q	L	-0.7855
144	W	L	0.0000
145	K	L	-0.3913
146	V	L	0.0000
147	D	L	-1.4871
148	N	L	-1.2931
149	A	L	-0.1257
150	L	L	0.7165
151	Q	L	-0.2167
152	S	L	-0.4475
153	G	L	-0.8287
154	N	L	-0.7053
155	S	L	-0.8461
156	Q	L	-0.7262
157	E	L	-1.3597
158	S	L	-0.5932
159	V	L	-0.5747
160	T	L	-0.9362
161	E	L	-1.8162
162	Q	L	0.0000
163	D	L	-1.9714
164	S	L	-2.2502
165	K	L	-2.6487
166	D	L	-1.9348
167	S	L	0.0000
168	T	L	0.0000
169	Y	L	0.0000
170	S	L	0.0000
171	L	L	0.0000
172	S	L	0.0000
173	S	L	0.0000
174	T	L	0.0000
175	L	L	0.0000
176	T	L	-0.3150
177	L	L	-0.5233
178	S	L	-1.0569
179	K	L	-1.7735
180	A	L	-1.6223
181	D	L	-2.2028
182	Y	L	0.0000
183	E	L	-3.0360
184	K	L	-3.2047
185	H	L	-2.7876
186	K	L	-3.2148
187	V	L	-1.6294
188	Y	L	0.0000
189	A	L	0.0000
190	C	L	0.0000
191	E	L	-0.7074
192	V	L	0.0000
193	T	L	-1.2344
194	H	L	0.0000
195	Q	L	-1.7933
196	G	L	-0.4750
197	L	L	-0.2593
198	S	L	-0.4575
199	S	L	-0.4108
200	P	L	-0.5103
201	V	L	0.0941
202	T	L	-0.4129
203	K	L	-0.7485
204	S	L	-0.6801
205	F	L	0.0000
206	N	L	-1.9238
207	R	L	-2.6020
208	G	L	-2.2040
209	E	L	-2.1649
210	C	L	-1.0589