Project name: 2510-2

Chain sequence(s)	H: QVQLQQSAAEVARPGASVKMSCKASGYTFTSYTMHWLKQRPGQGLEWIGYINPSSGYTDYNQKFKDKTTLTADKSSSTAYMQLNSLTSEDSAVYYCTRGTLLGLSWGQGTTLTVSS; L: DIKMTQSPSSLSASLGERVSLTCRASQEISGYLSWLQQKPDGTIKRLIYAASTLDSGVPKRFSGSRSGSDYSLTISSLESEDFADYYCLQYASYPYTFGGGTRLEIK
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                                          (00:02:28)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:30)

• Minimal score value: -3.0619
• Maximal score value: 2.2946
• Average score: -0.578
• Total score value: -128.8984

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	-1.2741
2	V	H	-0.5184
3	Q	H	-1.8413
4	L	H	0.0000
5	Q	H	-2.1211
6	Q	H	0.0000
7	S	H	-0.7993
8	A	H	-0.4656
9	A	H	0.0464
11	E	H	-0.1714
12	V	H	0.9076
13	A	H	-0.4993
14	R	H	-1.9284
15	P	H	-1.5927
16	G	H	-1.2608
17	A	H	-1.0610
18	S	H	-1.0952
19	V	H	0.0000
20	K	H	-1.2135
21	M	H	0.0000
22	S	H	-0.5367
23	C	H	0.0000
24	K	H	-1.6017
25	A	H	0.0000
26	S	H	-1.0682
27	G	H	-0.8418
28	Y	H	-0.2456
29	T	H	-0.1438
30	F	H	0.0000
35	T	H	-0.5595
36	S	H	-0.1043
37	Y	H	0.3716
38	T	H	0.0614
39	M	H	0.0000
40	H	H	0.0000
41	W	H	0.0000
42	L	H	0.0000
43	K	H	0.0000
44	Q	H	-0.9134
45	R	H	-1.5552
46	P	H	-1.1002
47	G	H	-1.3570
48	Q	H	-1.9640
49	G	H	-1.3190
50	L	H	0.0000
51	E	H	-1.1054
52	W	H	0.0000
53	I	H	0.0000
54	G	H	0.0000
55	Y	H	0.1882
56	I	H	0.0000
57	N	H	-0.0555
58	P	H	0.0000
59	S	H	-0.5424
62	S	H	-0.1528
63	G	H	-0.2558
64	Y	H	0.8809
65	T	H	0.3529
66	D	H	-0.1358
67	Y	H	-0.9581
68	N	H	0.0000
69	Q	H	-2.7722
70	K	H	-2.9741
71	F	H	0.0000
72	K	H	-2.9759
74	D	H	-3.0619
75	K	H	-2.0564
76	T	H	0.0000
77	T	H	-0.7738
78	L	H	0.0000
79	T	H	-0.2612
80	A	H	-0.8944
81	D	H	-1.6035
82	K	H	-2.0482
83	S	H	-1.2036
84	S	H	-1.0174
85	S	H	-1.1792
86	T	H	0.0000
87	A	H	0.0000
88	Y	H	-0.1188
89	M	H	0.0000
90	Q	H	-0.8193
91	L	H	0.0000
92	N	H	-1.2176
93	S	H	-1.1636
94	L	H	0.0000
95	T	H	-1.3837
96	S	H	-1.5071
97	E	H	-2.0341
98	D	H	0.0000
99	S	H	-0.6781
100	A	H	0.0000
101	V	H	0.0502
102	Y	H	0.0000
103	Y	H	0.0000
104	C	H	0.0000
105	T	H	0.0000
106	R	H	0.0401
107	G	H	0.4803
108	T	H	1.1798
109	L	H	2.2946
114	L	H	2.2131
115	G	H	0.9281
116	L	H	0.5805
117	S	H	-0.3684
118	W	H	-0.6903
119	G	H	-1.3358
120	Q	H	-1.8178
121	G	H	-0.7199
122	T	H	0.0000
123	T	H	-0.0209
124	L	H	0.0000
125	T	H	-0.1395
126	V	H	0.0000
127	S	H	-0.6936
128	S	H	-0.8848
1	D	L	-2.3696
2	I	L	0.0000
3	K	L	-2.7259
4	M	L	0.0000
5	T	L	-1.4305
6	Q	L	-1.0999
7	S	L	-0.7206
8	P	L	-0.5778
9	S	L	-0.8017
10	S	L	-1.0924
11	L	L	-0.6509
12	S	L	-0.8974
13	A	L	0.0000
14	S	L	-0.6264
15	L	L	-0.0717
16	G	L	-1.0400
17	E	L	-1.6939
18	R	L	-2.2452
19	V	L	0.0000
20	S	L	-0.6815
21	L	L	0.0000
22	T	L	-0.8829
23	C	L	0.0000
24	R	L	-2.9595
25	A	L	0.0000
26	S	L	-2.4605
27	Q	L	-3.0113
28	E	L	-2.6594
29	I	L	0.0000
36	S	L	-0.7021
37	G	L	-0.0615
38	Y	L	1.1419
39	L	L	0.0000
40	S	L	0.0000
41	W	L	0.0000
42	L	L	0.0000
43	Q	L	0.0000
44	Q	L	0.0000
45	K	L	-1.6751
46	P	L	-1.4412
47	D	L	-2.2866
48	G	L	-1.5621
49	T	L	-1.3838
50	I	L	0.0000
51	K	L	-1.0050
52	R	L	0.0000
53	L	L	0.0000
54	I	L	0.0000
55	Y	L	0.9568
56	A	L	0.7273
57	A	L	0.0000
65	S	L	-0.2583
66	T	L	0.2341
67	L	L	0.1841
68	D	L	0.0738
69	S	L	-0.1733
70	G	L	-0.6928
71	V	L	-0.6108
72	P	L	-0.9117
74	K	L	-1.7111
75	R	L	0.0000
76	F	L	0.0000
77	S	L	-0.4895
78	G	L	-0.4470
79	S	L	-1.0049
80	R	L	-1.8846
83	S	L	-1.3969
84	G	L	-1.4906
85	S	L	-2.0157
86	D	L	-1.7542
87	Y	L	0.0000
88	S	L	-0.9142
89	L	L	0.0000
90	T	L	-0.6073
91	I	L	0.0000
92	S	L	-1.4620
93	S	L	-1.4389
94	L	L	0.0000
95	E	L	-1.4702
96	S	L	-1.0995
97	E	L	-2.1760
98	D	L	0.0000
99	F	L	0.0000
100	A	L	0.0000
101	D	L	-1.2017
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	0.7699
108	A	L	0.1730
109	S	L	-0.1790
114	Y	L	0.1542
115	P	L	-0.6805
116	Y	L	-0.0720
117	T	L	-0.6179
118	F	L	-0.3786
119	G	L	0.0000
120	G	L	-1.0627
121	G	L	0.0000
122	T	L	0.0000
123	R	L	-1.8592
124	L	L	0.0000
125	E	L	-1.5967
126	I	L	0.3611
127	K	L	-1.0027