Project name: 6OBD

Chain sequence(s)	H: EVQLVESGGGLVQPGGSLRLSCAASGFPFSNYWMNWVRQAPGKGLEWVGQIRLKSNNYATHYAESVKGRFTISRDDSKNSLYLQMNSLKTEDTAVYYCTPIDYWGQGTTVTVSS; L: DIVMTQTPLSLSVTPGQPASISCKSSQSLLYSNGKTYLNWVLQKPGQSPQRLIYLVSKLDSGVPDRFSGSGSGTDFTLKISRVEAEDVGVYYCVQGSHFHTFGQGTKLEIK
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                                          (00:01:45)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:46)

• Minimal score value: -2.7071
• Maximal score value: 1.2562
• Average score: -0.6281
• Total score value: -141.3257

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	-1.8806
2	V	H	-0.7856
3	Q	H	-0.6874
4	L	H	0.0000
5	V	H	1.2562
6	E	H	0.0000
7	S	H	-0.3647
8	G	H	-0.9411
9	G	H	-0.4039
11	G	H	0.3572
12	L	H	1.1032
13	V	H	0.0000
14	Q	H	-1.3688
15	P	H	-1.5617
16	G	H	-1.3565
17	G	H	0.0000
18	S	H	-1.1799
19	L	H	-0.9140
20	R	H	-1.8487
21	L	H	0.0000
22	S	H	-0.2748
23	C	H	0.0000
24	A	H	-0.0223
25	A	H	0.0000
26	S	H	-0.7987
27	G	H	-1.0750
28	F	H	-0.5483
29	P	H	-0.6751
30	F	H	0.0000
35	S	H	-1.4994
36	N	H	-1.4515
37	Y	H	-0.1884
38	W	H	0.0053
39	M	H	0.0000
40	N	H	0.0000
41	W	H	0.0000
42	V	H	0.0000
43	R	H	0.0000
44	Q	H	-0.7931
45	A	H	-1.2054
46	P	H	-1.1655
47	G	H	-1.4583
48	K	H	-2.3488
49	G	H	-1.5387
50	L	H	0.0000
51	E	H	-1.0321
52	W	H	0.0000
53	V	H	0.0000
54	G	H	0.0000
55	Q	H	0.0000
56	I	H	0.0000
57	R	H	-0.8668
58	L	H	-1.4197
59	K	H	-2.5188
60	S	H	-1.7752
61	N	H	-1.6990
62	N	H	-2.0560
63	Y	H	-1.1043
64	A	H	-0.7428
65	T	H	-0.1568
66	H	H	-0.4291
67	Y	H	-0.9037
68	A	H	-1.5680
69	E	H	-2.7071
70	S	H	-1.8000
71	V	H	0.0000
72	K	H	-2.6245
74	G	H	-1.7367
75	R	H	-1.6132
76	F	H	0.0000
77	T	H	-0.8663
78	I	H	0.0000
79	S	H	-0.2999
80	R	H	-1.0337
81	D	H	-1.5496
82	D	H	-2.0130
83	S	H	-1.5788
84	K	H	-2.4003
85	N	H	-1.8282
86	S	H	-0.9953
87	L	H	0.0000
88	Y	H	-0.4202
89	L	H	0.0000
90	Q	H	-1.1795
91	M	H	0.0000
92	N	H	-1.3480
93	S	H	-1.1588
94	L	H	0.0000
95	K	H	-2.2665
96	T	H	-1.8069
97	E	H	-2.2948
98	D	H	0.0000
99	T	H	-0.7051
100	A	H	0.0000
101	V	H	0.1496
102	Y	H	0.0000
103	Y	H	0.0000
104	C	H	0.0000
105	T	H	0.0000
106	P	H	0.0000
107	I	H	0.0000
116	D	H	-0.1741
117	Y	H	0.1516
118	W	H	-0.0619
119	G	H	0.0000
120	Q	H	-1.0748
121	G	H	-0.3948
122	T	H	-0.1644
123	T	H	-0.0023
124	V	H	0.0000
125	T	H	-0.0765
126	V	H	0.0000
127	S	H	-0.7420
128	S	H	-0.5085
1	D	L	-1.7709
2	I	L	0.0000
3	V	L	0.7567
4	M	L	0.0000
5	T	L	-0.4411
6	Q	L	0.0000
7	T	L	0.0372
8	P	L	0.3559
9	L	L	1.0806
10	S	L	0.0796
11	L	L	-0.2005
12	S	L	-0.9442
13	V	L	0.0000
14	T	L	-1.5400
15	P	L	-1.5234
16	G	L	-1.6239
17	Q	L	-1.8766
18	P	L	-1.5738
19	A	L	0.0000
20	S	L	-0.7241
21	I	L	0.0000
22	S	L	-0.8218
23	C	L	0.0000
24	K	L	-1.6215
25	S	L	0.0000
26	S	L	-0.8362
27	Q	L	-1.4889
28	S	L	-0.6855
29	L	L	0.0000
30	L	L	0.8463
31	Y	L	0.2098
32	S	L	-0.5763
34	N	L	-1.5109
35	G	L	-1.0834
36	K	L	-0.9259
37	T	L	0.1591
38	Y	L	0.5229
39	L	L	0.0000
40	N	L	0.0000
41	W	L	0.0000
42	V	L	0.0000
43	L	L	0.0000
44	Q	L	-1.0892
45	K	L	-1.6518
46	P	L	-1.0436
47	G	L	-1.3571
48	Q	L	-2.1120
49	S	L	-1.4491
50	P	L	0.0000
51	Q	L	-1.2969
52	R	L	-0.5203
53	L	L	0.0000
54	I	L	0.0000
55	Y	L	0.1882
56	L	L	0.0702
57	V	L	0.0000
65	S	L	-0.5033
66	K	L	-0.8040
67	L	L	-0.4023
68	D	L	-0.5067
69	S	L	-0.5077
70	G	L	-0.6694
71	V	L	-0.5841
72	P	L	-0.9734
74	D	L	-1.9297
75	R	L	0.0000
76	F	L	0.0000
77	S	L	-1.1285
78	G	L	-0.6863
79	S	L	-0.9374
80	G	L	-1.0647
83	S	L	-0.6834
84	G	L	-0.4826
85	T	L	-1.2825
86	D	L	-1.9842
87	F	L	0.0000
88	T	L	-0.9982
89	L	L	0.0000
90	K	L	-1.6003
91	I	L	0.0000
92	S	L	-1.7200
93	R	L	-2.1938
94	V	L	0.0000
95	E	L	-1.5636
96	A	L	-1.3393
97	E	L	-1.8861
98	D	L	0.0000
99	V	L	-0.8592
100	G	L	0.0000
101	V	L	-0.2127
102	Y	L	0.0000
103	Y	L	0.0000
104	C	L	0.0000
105	V	L	0.0000
106	Q	L	0.0000
107	G	L	0.1653
108	S	L	0.0000
114	H	L	-0.6897
115	F	L	-0.0133
116	H	L	0.0000
117	T	L	-0.0787
118	F	L	0.0000
119	G	L	0.0000
120	Q	L	-0.9085
121	G	L	0.0000
122	T	L	0.0000
123	K	L	-0.6759
124	L	L	0.0000
125	E	L	-1.5154
126	I	L	-1.2380
127	K	L	-1.8746