Project name: bb02bd70d1b8763

Chain sequence(s)	H: EVQLLQFGGGLVQPGGSLRLSCVASGYTFSGYAMRWVRRAPGKGLEWVSSIGIGADTYYVDSVKGRFTISRDNSRNTLYLQMNGLRAEDTAIYYCVKCHHNNYYCNMDVWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSCDKT; L: EIVMTQSPLSLPVTPGEPASISCRSSQSLLHSNGYNYLDWYLQKPGQSPQLLIYLGSTRASGVPDRFSGSGSGTDFTLKISRVEAEDVGVYYCMQILQTPLTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGE
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                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:02:02)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:05)

• Minimal score value: -3.5274
• Maximal score value: 2.0352
• Average score: -0.5998
• Total score value: -266.3106

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	L	-1.9245
2	I	L	0.0000
3	V	L	0.9216
4	M	L	0.0000
5	T	L	-0.3798
6	Q	L	0.0000
7	S	L	-0.1233
8	P	L	0.4228
9	L	L	1.1686
10	S	L	0.5278
11	L	L	0.2951
12	P	L	-0.2779
13	V	L	0.0000
14	T	L	-1.3690
15	P	L	-1.7700
16	G	L	-2.0025
17	E	L	-2.3141
18	P	L	-1.8445
19	A	L	0.0000
20	S	L	-0.6228
21	I	L	0.0000
22	S	L	-0.6685
23	C	L	0.0000
24	R	L	-1.7477
25	S	L	-0.6945
26	S	L	-0.4862
27	Q	L	-0.5356
28	S	L	-0.5929
29	L	L	0.0000
30	L	L	-0.1664
31	H	L	-1.0624
32	S	L	-0.9367
34	N	L	-1.0679
35	G	L	-0.7240
36	Y	L	0.1140
37	N	L	-0.0179
38	Y	L	0.0000
39	L	L	0.0000
40	D	L	0.0000
41	W	L	0.0000
42	Y	L	0.0000
43	L	L	0.0000
44	Q	L	0.0000
45	K	L	-1.0171
46	P	L	-1.2663
47	G	L	-1.2239
48	Q	L	-1.8393
49	S	L	-1.2066
50	P	L	0.0000
51	Q	L	-0.5489
52	L	L	0.0000
53	L	L	0.0000
54	I	L	0.0000
55	Y	L	0.1282
56	L	L	0.2975
57	G	L	0.0000
65	S	L	-0.4828
66	T	L	-0.3394
67	R	L	-1.0386
68	A	L	0.0000
69	S	L	-0.6073
70	G	L	-0.8439
71	V	L	-0.7917
72	P	L	-1.2222
74	D	L	-2.1535
75	R	L	0.0000
76	F	L	0.0000
77	S	L	-0.9917
78	G	L	-0.6505
79	S	L	-0.7196
80	G	L	-1.0413
83	S	L	-0.7233
84	G	L	-0.8508
85	T	L	-1.2085
86	D	L	-1.8005
87	F	L	0.0000
88	T	L	-0.9128
89	L	L	0.0000
90	K	L	-1.2546
91	I	L	0.0000
92	S	L	-1.5970
93	R	L	-2.5334
94	V	L	0.0000
95	E	L	-2.5573
96	A	L	-1.5095
97	E	L	-2.2069
98	D	L	0.0000
99	V	L	-0.5046
100	G	L	0.0000
101	V	L	0.2747
102	Y	L	0.0000
103	Y	L	0.0000
104	C	L	0.0000
105	M	L	0.0000
106	Q	L	0.0000
107	I	L	0.0000
108	L	L	-0.3336
109	Q	L	-1.1820
114	T	L	-0.9934
115	P	L	-1.4127
116	L	L	0.0000
117	T	L	-0.3394
118	F	L	0.0000
119	G	L	0.0000
120	Q	L	-0.9483
121	G	L	-0.3424
122	T	L	0.0000
123	K	L	0.3306
124	V	L	0.0000
125	E	L	0.0000
126	I	L	-1.0390
127	K	L	-1.0597
1001	R	L	-1.1187
1001C	T	L	0.1148
1001B	V	L	1.1255
1001A	A	L	0.3096
1001	A	L	-0.0445
1002	P	L	-0.3507
1003	S	L	-0.2026
1004	V	L	0.0000
1005	F	L	0.0268
1006	I	L	0.0000
1007	F	L	0.0000
1008	P	L	0.0000
1009	P	L	0.0000
1010	S	L	0.0000
1011	D	L	-2.6836
1012	E	L	-2.3542
1013	Q	L	0.0000
1014	L	L	-1.8827
1015	K	L	-2.6097
1016	S	L	-1.5732
1017	G	L	-1.2673
1018	T	L	-0.9087
1019	A	L	0.0000
1020	S	L	0.0000
1021	V	L	0.0000
1022	V	L	0.0000
1023	C	L	0.0000
1024	L	L	0.0000
1025	L	L	0.0000
1026	N	L	0.0000
1027	N	L	-1.0324
1028	F	L	0.0000
1029	Y	L	0.0000
1030	P	L	0.0000
1035	R	L	-1.7962
1036	E	L	-2.5537
1037	A	L	-1.9647
1038	K	L	-2.5075
1039	V	L	0.0000
1040	Q	L	-0.8521
1041	W	L	0.0000
1042	K	L	0.0000
1043	V	L	0.0000
1044	D	L	-2.1228
1045	N	L	-1.4795
1045A	A	L	-0.1244
1045B	L	L	0.8510
1045C	Q	L	0.0208
1045D	S	L	-0.5129
1045E	G	L	-0.9491
1077	N	L	-0.8165
1078	S	L	-0.9491
1079	Q	L	-1.0502
1080	E	L	-1.2821
1081	S	L	0.0000
1082	V	L	-0.3891
1083	T	L	-0.9883
1084	E	L	-2.0976
1084A	Q	L	-1.6496
1084B	D	L	-1.7884
1084C	S	L	-1.6022
1084D	K	L	-2.2813
1085E	D	L	-1.8430
1085D	S	L	-1.8483
1085C	T	L	0.0000
1085B	Y	L	0.0000
1085A	S	L	0.0000
1085	L	L	0.0000
1086	S	L	0.0000
1087	S	L	0.0000
1088	T	L	-0.4759
1089	L	L	0.0000
1090	T	L	-0.2340
1091	L	L	-0.0313
1092	S	L	-0.5978
1093	K	L	-1.8330
1094	A	L	-1.4972
1095	D	L	-1.6358
1096	Y	L	-2.0725
1097	E	L	-3.4422
1098	K	L	-3.3700
1099	H	L	-3.0618
1100	K	L	-3.5274
1101	V	L	-2.2148
1102	Y	L	0.0000
1103	A	L	0.0000
1104	C	L	0.0000
1105	E	L	-0.5723
1106	V	L	0.0000
1107	T	L	-1.2089
1108	H	L	0.0000
1109	Q	L	-1.6807
1110	G	L	-0.5326
1113	L	L	-0.4083
1114	S	L	-0.4819
1115	S	L	-0.4413
1116	P	L	-0.4287
1117	V	L	-0.0437
1118	T	L	-0.3941
1119	K	L	-0.6106
1120	S	L	-0.7742
1121	F	L	0.0000
1122	N	L	-2.5268
1123	R	L	-3.2907
1124	G	L	-2.6044
1125	E	L	-2.8879
1	E	H	-1.8293
2	V	H	-0.7249
3	Q	H	-1.0475
4	L	H	0.0000
5	L	H	1.0527
6	Q	H	0.0000
7	F	H	2.0352
8	G	H	0.5986
9	G	H	0.6584
11	G	H	0.6605
12	L	H	0.4713
13	V	H	0.0000
14	Q	H	-1.6100
15	P	H	-1.5362
16	G	H	-1.4661
17	G	H	-1.2346
18	S	H	-0.9595
19	L	H	-0.6042
20	R	H	-0.7637
21	L	H	0.0000
22	S	H	0.7143
23	C	H	0.0000
24	V	H	0.6785
25	A	H	0.0000
26	S	H	-0.7011
27	G	H	-0.9268
28	Y	H	-0.3672
29	T	H	-0.2576
30	F	H	0.0000
35	S	H	-0.4559
36	G	H	-0.2148
37	Y	H	-0.1982
38	A	H	-0.2749
39	M	H	0.0000
40	R	H	0.0000
41	W	H	0.0000
42	V	H	0.0000
43	R	H	0.0000
44	R	H	-0.8703
45	A	H	-0.9800
46	P	H	-1.1069
47	G	H	-1.3498
48	K	H	-1.9808
49	G	H	-1.2921
50	L	H	0.0000
51	E	H	-0.7405
52	W	H	0.0000
53	V	H	0.0000
54	S	H	0.0000
55	S	H	0.0000
56	I	H	0.0000
57	G	H	0.0000
58	I	H	0.8116
59	G	H	0.0225
63	A	H	-0.1519
64	D	H	-0.3571
65	T	H	0.0829
66	Y	H	0.0011
67	Y	H	-0.6076
68	V	H	0.0000
69	D	H	-2.7862
70	S	H	-1.8310
71	V	H	0.0000
72	K	H	-2.5171
74	G	H	-1.7294
75	R	H	-1.4982
76	F	H	0.0000
77	T	H	-0.5875
78	I	H	0.0000
79	S	H	-0.3729
80	R	H	-0.6297
81	D	H	-1.3542
82	N	H	-1.4349
83	S	H	-1.6021
84	R	H	-2.3278
85	N	H	-1.4307
86	T	H	0.0000
87	L	H	0.0000
88	Y	H	0.0805
89	L	H	0.0000
90	Q	H	-0.7423
91	M	H	0.0000
92	N	H	-1.2214
93	G	H	-1.3288
94	L	H	0.0000
95	R	H	-2.0040
96	A	H	-1.4144
97	E	H	-1.7912
98	D	H	0.0000
99	T	H	-0.4556
100	A	H	0.0000
101	I	H	0.5440
102	Y	H	0.0000
103	Y	H	0.0000
104	C	H	0.0000
105	V	H	0.0000
106	K	H	-0.3066
107	C	H	0.0000
108	H	H	-0.8761
109	H	H	-1.6497
110	N	H	-1.5319
111	N	H	-0.9471
112A	Y	H	-0.2773
112	Y	H	0.2348
113	C	H	0.0000
114	N	H	0.0000
115	M	H	0.0000
116	D	H	-0.2827
117	V	H	0.2088
118	W	H	-0.0553
119	G	H	0.0000
120	Q	H	-0.9771
121	G	H	0.0551
122	T	H	0.0000
123	L	H	1.3595
124	V	H	0.0000
125	T	H	0.0000
126	V	H	0.0000
127	S	H	-0.7166
128	S	H	-0.6533
1001	A	H	-0.3903
1001C	S	H	-0.4015
1001B	T	H	-0.5535
1001A	K	H	-1.0250
1001	G	H	-1.2449
1002	P	H	0.0000
1003	S	H	-0.2076
1004	V	H	-0.1805
1005	F	H	-0.4331
1006	P	H	-0.7185
1007	L	H	0.0000
1008	A	H	0.0000
1009	P	H	0.0000
1010	S	H	-0.8943
1011	S	H	-0.8669
1012	K	H	-0.8551
1013	S	H	-0.8010
1014	T	H	-0.8376
1015	S	H	-0.7539
1016	G	H	-0.8419
1017	G	H	-0.8398
1018	T	H	-0.5644
1019	A	H	-0.3570
1020	A	H	0.0000
1021	L	H	0.0000
1022	G	H	0.0000
1023	C	H	0.0000
1024	L	H	0.0000
1025	V	H	0.0000
1026	K	H	0.0000
1027	D	H	-0.3538
1028	Y	H	0.0000
1029	F	H	0.0000
1030	P	H	-0.5440
1035	E	H	-0.7575
1036	P	H	-0.9623
1037	V	H	0.0000
1038	T	H	-0.6646
1039	V	H	-0.3861
1040	S	H	-0.3522
1041	W	H	0.0000
1042	N	H	-0.8280
1043	S	H	-0.7301
1044	G	H	-0.3578
1045	A	H	-0.2531
1045A	L	H	-0.0325
1045B	T	H	-0.1969
1045C	S	H	-0.1968
1077	G	H	-0.2880
1078	V	H	0.0707
1079	H	H	-0.0409
1080	T	H	-0.0013
1081	F	H	0.0000
1082	P	H	-0.5054
1083	A	H	0.0474
1084	V	H	0.2940
1084A	L	H	0.7794
1084B	Q	H	0.0184
1084C	S	H	-0.2581
1084D	S	H	-0.2440
1085D	G	H	-0.1100
1085C	L	H	0.0198
1085B	Y	H	0.0000
1085A	S	H	0.0000
1085	L	H	0.0000
1086	S	H	0.0000
1087	S	H	0.0000
1088	V	H	0.0000
1089	V	H	0.0000
1090	T	H	-0.1992
1091	V	H	0.0000
1092	P	H	-0.5996
1093	S	H	0.0000
1094	S	H	-0.9296
1095	S	H	-0.8570
1096	L	H	0.0000
1098	G	H	-1.1145
1099	T	H	-1.0071
1100	Q	H	-1.5355
1101	T	H	-1.1614
1102	Y	H	0.0000
1103	I	H	-0.8365
1104	C	H	0.0000
1105	N	H	-1.4367
1106	V	H	0.0000
1107	N	H	-1.9721
1108	H	H	0.0000
1109	K	H	-2.7892
1110	P	H	-1.6229
1113	S	H	-1.7881
1114	N	H	-2.5267
1115	T	H	-2.0535
1116	K	H	-2.6799
1117	V	H	-1.4064
1118	D	H	-2.4447
1119	K	H	-1.6443
1120	K	H	-2.0100
1121	V	H	0.0000
2001	E	H	-1.4549
2002	P	H	-0.9580
2003	K	H	-1.0537
2004	S	H	-1.2232
2005	C	H	-1.2360
2006	D	H	-2.3777
2007	K	H	-2.7044
2008	T	H	-1.3633