Project name: ec38acb96aea970

Chain sequence(s)	H: EVQLVESGGGLVQPGGSLRLSCAASGFAFSSYDMSWVRQAPGKGLDWVATISGGGRYTYYPDSVKGRFTISRDNSKNNLYLQMNSLRAEDTALYYCANRYGEAWFAYWGQGTLVTVSS; L: DIQMTQSPSSMSASVGDRVTFTCRASQDINTYLSWFQQKPGKSPKTLIYRANRLVSGVPSRFSGSGSGQDYTLTISSLQPEDMATYYCLQYDEFPLTFGAGTKLELK
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                                          (00:02:23)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:24)

• Minimal score value: -3.2701
• Maximal score value: 1.3094
• Average score: -0.7496
• Total score value: -168.6585

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	-2.0650
2	V	H	-1.1207
3	Q	H	-1.3547
4	L	H	0.0000
5	V	H	0.2553
6	E	H	0.0000
7	S	H	-0.3817
8	G	H	-0.5202
9	G	H	0.1428
11	G	H	0.6679
12	L	H	1.3094
13	V	H	-0.1419
14	Q	H	-1.4517
15	P	H	-1.7116
16	G	H	-1.6762
17	G	H	-1.1861
18	S	H	-1.1170
19	L	H	-0.7622
20	R	H	-1.5570
21	L	H	0.0000
22	S	H	-0.3946
23	C	H	0.0000
24	A	H	-0.4991
25	A	H	0.0000
26	S	H	-1.1502
27	G	H	-1.2474
28	F	H	-0.4669
29	A	H	-0.2398
30	F	H	0.0000
35	S	H	-1.0096
36	S	H	-0.3906
37	Y	H	-0.0131
38	D	H	-0.2968
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	-0.9390
45	A	H	-1.2084
46	P	H	-0.9250
47	G	H	-1.5451
48	K	H	-2.3044
49	G	H	-1.5034
50	L	H	0.0000
51	D	H	-1.7299
52	W	H	0.0000
53	V	H	0.0000
54	A	H	0.0000
55	T	H	0.0000
56	I	H	0.0000
57	S	H	-0.7383
58	G	H	-0.8976
59	G	H	-1.4310
62	G	H	-1.5484
63	R	H	-1.8973
64	Y	H	-0.6272
65	T	H	-0.1735
66	Y	H	0.0807
67	Y	H	-0.7546
68	P	H	-1.3915
69	D	H	-2.4566
70	S	H	-1.8503
71	V	H	0.0000
72	K	H	-2.5962
74	G	H	-1.8097
75	R	H	-1.4342
76	F	H	0.0000
77	T	H	-0.7551
78	I	H	0.0000
79	S	H	-0.6676
80	R	H	-1.3848
81	D	H	-2.1827
82	N	H	-2.6214
83	S	H	-2.0772
84	K	H	-2.7201
85	N	H	-2.1223
86	N	H	-1.4503
87	L	H	0.0000
88	Y	H	-0.4754
89	L	H	0.0000
90	Q	H	-1.0227
91	M	H	0.0000
92	N	H	-1.6280
93	S	H	-1.5286
94	L	H	0.0000
95	R	H	-2.9207
96	A	H	-2.0205
97	E	H	-2.3875
98	D	H	0.0000
99	T	H	-0.5483
100	A	H	0.0000
101	L	H	0.5230
102	Y	H	0.0000
103	Y	H	0.0000
104	C	H	0.0000
105	A	H	0.0000
106	N	H	0.0000
107	R	H	0.0000
108	Y	H	0.1425
109	G	H	-0.8008
110	E	H	-1.7937
113	A	H	0.0000
114	W	H	0.0000
115	F	H	0.0000
116	A	H	0.2829
117	Y	H	0.0071
118	W	H	-0.3722
119	G	H	0.0000
120	Q	H	-1.3448
121	G	H	-0.4807
122	T	H	0.2683
123	L	H	1.1359
124	V	H	0.0000
125	T	H	0.1581
126	V	H	0.0000
127	S	H	-0.6465
128	S	H	-0.5708
1	D	L	-2.2780
2	I	L	0.0000
3	Q	L	-2.1182
4	M	L	0.0000
5	T	L	-1.1839
6	Q	L	0.0000
7	S	L	-0.5852
8	P	L	-0.5036
9	S	L	-0.6517
10	S	L	-0.9793
11	M	L	-0.8189
12	S	L	-1.0703
13	A	L	0.0000
14	S	L	-0.7984
15	V	L	0.1443
16	G	L	-0.7187
17	D	L	-1.6386
18	R	L	-2.3138
19	V	L	0.0000
20	T	L	-0.6427
21	F	L	0.0000
22	T	L	-0.8213
23	C	L	0.0000
24	R	L	-3.0160
25	A	L	0.0000
26	S	L	-2.2212
27	Q	L	-2.8967
28	D	L	-3.2701
29	I	L	0.0000
36	N	L	-2.3704
37	T	L	-1.5133
38	Y	L	-0.9994
39	L	L	0.0000
40	S	L	0.0000
41	W	L	0.0000
42	F	L	0.0000
43	Q	L	0.0000
44	Q	L	0.0000
45	K	L	-1.8099
46	P	L	-1.3087
47	G	L	-1.7456
48	K	L	-2.6394
49	S	L	-1.6782
50	P	L	0.0000
51	K	L	-1.5441
52	T	L	0.0000
53	L	L	0.0000
54	I	L	0.0000
55	Y	L	-0.8684
56	R	L	-1.4999
57	A	L	0.0000
65	N	L	-1.6895
66	R	L	-1.9701
67	L	L	-0.5068
68	V	L	-0.1119
69	S	L	-0.3538
70	G	L	-0.4595
71	V	L	0.0000
72	P	L	-0.3574
74	S	L	-0.3681
75	R	L	-0.7753
76	F	L	0.0000
77	S	L	-0.7660
78	G	L	-0.9328
79	S	L	-1.1247
80	G	L	-1.4169
83	S	L	-1.7677
84	G	L	-2.3030
85	Q	L	-2.8069
86	D	L	-2.5933
87	Y	L	0.0000
88	T	L	-0.8112
89	L	L	0.0000
90	T	L	-0.6208
91	I	L	0.0000
92	S	L	-1.3224
93	S	L	-1.0922
94	L	L	0.0000
95	Q	L	-0.9207
96	P	L	-1.1356
97	E	L	-1.7899
98	D	L	0.0000
99	M	L	-0.9196
100	A	L	0.0000
101	T	L	-0.8039
102	Y	L	0.0000
103	Y	L	0.0000
104	C	L	0.0000
105	L	L	0.0000
106	Q	L	0.0000
107	Y	L	-0.6487
108	D	L	-1.5009
109	E	L	-1.3166
114	F	L	-0.3500
115	P	L	-0.6231
116	L	L	0.0000
117	T	L	-0.8106
118	F	L	-0.2801
119	G	L	-0.6188
120	A	L	-0.6178
121	G	L	0.0000
122	T	L	0.0000
123	K	L	-1.5027
124	L	L	0.0000
125	E	L	-1.6897
126	L	L	-0.9717
127	K	L	-1.5837