Project name: 2E6Z01

Chain sequence(s)	H: QVQLVQSGAEVKKPGASVKVSCKASGYTFTNYWMQWVRQAPGQGLEWIGEIDPSDSYTDYNQKFQGRVTLTRDTSTSTVYMELSSLRSEDTAVYYCARTYGRGYYFDYWGQGTLVTVSS; L: EIVLTQSPDFQSVTPKEKVTITCSASSSVSYMHWYQQKPDQSPKRWIYDTSKLASGVPSRFSGSGSGTDFTLTINSLEAEDAATYYCQQWSSSPWTFGGGTKVEIK
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)                                                   (00:00:01)
[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                                          (00:02:14)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:15)

• Minimal score value: -3.6169
• Maximal score value: 1.1369
• Average score: -0.6465
• Total score value: -145.465

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	-1.4793
2	V	H	-0.7279
3	Q	H	-1.1333
4	L	H	0.0000
5	V	H	0.0981
6	Q	H	0.0000
7	S	H	-0.4974
8	G	H	-0.4242
9	A	H	0.3730
11	E	H	0.1758
12	V	H	1.0782
13	K	H	-0.9233
14	K	H	-2.1910
15	P	H	-2.3046
16	G	H	-1.6179
17	A	H	-1.2602
18	S	H	-1.3676
19	V	H	0.0000
20	K	H	-1.9827
21	V	H	0.0000
22	S	H	-0.6042
23	C	H	0.0000
24	K	H	-0.8952
25	A	H	0.0000
26	S	H	-0.8236
27	G	H	-0.9948
28	Y	H	-0.5525
29	T	H	-0.4108
30	F	H	0.0000
35	T	H	-0.9375
36	N	H	-1.1341
37	Y	H	-0.3657
38	W	H	-0.0055
39	M	H	0.0000
40	Q	H	0.0000
41	W	H	0.0000
42	V	H	0.0000
43	R	H	0.0000
44	Q	H	-0.4793
45	A	H	-0.8691
46	P	H	-0.9002
47	G	H	-1.2434
48	Q	H	-1.7378
49	G	H	-1.1474
50	L	H	0.0000
51	E	H	-0.7932
52	W	H	0.0000
53	I	H	0.0000
54	G	H	0.0000
55	E	H	0.0000
56	I	H	0.0000
57	D	H	-0.6696
58	P	H	0.0000
59	S	H	-1.2729
62	D	H	-1.7744
63	S	H	-0.7661
64	Y	H	0.0905
65	T	H	-0.1086
66	D	H	-0.7070
67	Y	H	-1.2034
68	N	H	-1.8690
69	Q	H	-2.8839
70	K	H	-2.7741
71	F	H	0.0000
72	Q	H	-2.5533
74	G	H	-1.6190
75	R	H	-1.5139
76	V	H	0.0000
77	T	H	-0.7266
78	L	H	0.0000
79	T	H	-0.2509
80	R	H	-0.9669
81	D	H	-0.8767
82	T	H	-0.5598
83	S	H	-0.4762
84	T	H	-0.5729
85	S	H	-0.6627
86	T	H	0.0000
87	V	H	0.0000
88	Y	H	-0.5926
89	M	H	0.0000
90	E	H	-1.3476
91	L	H	0.0000
92	S	H	-1.1482
93	S	H	-1.2476
94	L	H	0.0000
95	R	H	-3.1095
96	S	H	-2.3388
97	E	H	-2.4806
98	D	H	0.0000
99	T	H	-0.6732
100	A	H	0.0000
101	V	H	0.5979
102	Y	H	0.0000
103	Y	H	0.0000
104	C	H	0.0000
105	A	H	0.0000
106	R	H	0.0000
107	T	H	0.0000
108	Y	H	0.1997
109	G	H	-0.8565
110	R	H	-1.7128
112	G	H	-0.6296
113	Y	H	-0.1614
114	Y	H	0.0000
115	F	H	0.0000
116	D	H	0.2003
117	Y	H	0.4013
118	W	H	-0.0052
119	G	H	0.0000
120	Q	H	-1.2383
121	G	H	-0.4868
122	T	H	0.0000
123	L	H	1.0792
124	V	H	0.0000
125	T	H	-0.0598
126	V	H	0.0000
127	S	H	-0.9642
128	S	H	-0.7848
1	E	L	-1.6442
2	I	L	0.0000
3	V	L	1.1369
4	L	L	0.0000
5	T	L	-0.2734
6	Q	L	0.0000
7	S	L	-0.6912
8	P	L	-0.6233
9	D	L	-1.3698
10	F	L	0.3669
11	Q	L	-0.3029
12	S	L	-0.5014
13	V	L	-1.4420
14	T	L	-2.1119
15	P	L	-2.4232
16	K	L	-3.5671
17	E	L	-3.6169
18	K	L	-3.2171
19	V	L	0.0000
20	T	L	-0.7989
21	I	L	0.0000
22	T	L	-0.7337
23	C	L	0.0000
24	S	L	-0.7513
25	A	L	0.0000
26	S	L	-0.2351
27	S	L	-0.5371
28	S	L	-0.6766
29	V	L	0.0000
37	S	L	0.0895
38	Y	L	0.7594
39	M	L	0.0000
40	H	L	0.0000
41	W	L	0.0000
42	Y	L	0.0000
43	Q	L	0.0000
44	Q	L	-0.9837
45	K	L	-1.4100
46	P	L	-1.5084
47	D	L	-2.4483
48	Q	L	-2.0484
49	S	L	-1.1740
50	P	L	0.0000
51	K	L	-0.6349
52	R	L	-0.2561
53	W	L	-0.2962
54	I	L	0.0000
55	Y	L	-0.0670
56	D	L	0.0000
57	T	L	0.0000
65	S	L	-0.6594
66	K	L	-1.2113
67	L	L	-0.3681
68	A	L	0.0000
69	S	L	-0.4739
70	G	L	-0.4357
71	V	L	-0.3130
72	P	L	-0.2404
74	S	L	-0.5177
75	R	L	-1.2480
76	F	L	0.0000
77	S	L	-0.7155
78	G	L	-0.5087
79	S	L	-0.7301
80	G	L	-0.9241
83	S	L	-0.8300
84	G	L	-0.8422
85	T	L	-1.1751
86	D	L	-2.1269
87	F	L	0.0000
88	T	L	-0.6308
89	L	L	0.0000
90	T	L	-0.8613
91	I	L	0.0000
92	N	L	-2.9045
93	S	L	-3.0190
94	L	L	0.0000
95	E	L	-2.9908
96	A	L	-2.0775
97	E	L	-2.3752
98	D	L	0.0000
99	A	L	-1.2848
100	A	L	0.0000
101	T	L	-0.7709
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	W	L	0.1759
108	S	L	-0.2665
109	S	L	-0.6705
114	S	L	-0.9014
115	P	L	-1.2849
116	W	L	0.0000
117	T	L	-0.1588
118	F	L	0.0000
119	G	L	0.0000
120	G	L	-1.0066
121	G	L	-0.9583
122	T	L	0.0000
123	K	L	-1.1955
124	V	L	0.0000
125	E	L	-1.1429
126	I	L	-1.6523
127	K	L	-2.0218