Project name: 6MHR VHVL

Chain sequence(s)	H: QVQLQQWGAGLLKPSETLSLTCAVYGGSFSGYYWSWIRQSPEKGLEWIGEINHGGYVTYNPSLESRVTISVDTSKNQFSLKLSSVTAADTAVYYCARDYGPGNYDWYFDLWGRGTLVTVSS; L: EIVLTQSPATLSLSPGERATLSCRASQSVSSYLAWYQQKPGQAPRLLIYDASNRATGIPARFSGSGSGTDFTLTISSLEPEDFAVYYCQQRSNWPPALTFGGGTKVEIK
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                                          (00:01:06)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:07)

• Minimal score value: -2.836
• Maximal score value: 1.5245
• Average score: -0.5042
• Total score value: -115.9596

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	-1.3903
2	V	H	-0.7983
3	Q	H	-1.4639
4	L	H	0.0000
5	Q	H	-1.2407
6	Q	H	-0.8837
7	W	H	0.0023
8	G	H	0.0956
9	A	H	0.4758
11	G	H	0.9365
12	L	H	1.3598
13	L	H	-0.1665
14	K	H	-1.4829
15	P	H	-1.3019
16	S	H	-1.2243
17	E	H	-1.6860
18	T	H	-1.2078
19	L	H	0.0000
20	S	H	-0.7115
21	L	H	0.0000
22	T	H	-0.2853
23	C	H	0.0000
24	A	H	0.0000
25	V	H	0.0000
26	Y	H	0.1629
27	G	H	-0.6438
28	G	H	-0.8162
29	S	H	-0.5052
30	F	H	0.0000
35	S	H	-0.7872
36	G	H	-0.4911
37	Y	H	0.0933
38	Y	H	0.2705
39	W	H	0.0000
40	S	H	0.0000
41	W	H	0.0000
42	I	H	0.0000
43	R	H	0.0000
44	Q	H	-0.5305
45	S	H	0.0000
46	P	H	-1.6721
47	E	H	-2.8360
48	K	H	-2.7867
49	G	H	-1.6481
50	L	H	0.0000
51	E	H	0.0000
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	N	H	-0.1624
58	H	H	-1.0602
59	G	H	-0.5957
63	G	H	-0.0035
64	Y	H	1.1554
65	V	H	0.9898
66	T	H	0.2759
67	Y	H	-0.4287
68	N	H	-0.7754
69	P	H	-1.2698
70	S	H	-0.8886
71	L	H	0.0000
72	E	H	-2.0066
74	S	H	-1.2891
75	R	H	-1.3559
76	V	H	0.0000
77	T	H	-0.8223
78	I	H	0.0000
79	S	H	-0.2169
80	V	H	-0.5218
81	D	H	-1.5088
82	T	H	-1.5278
83	S	H	-1.3930
84	K	H	-2.2938
85	N	H	-1.6145
86	Q	H	-1.2926
87	F	H	0.0000
88	S	H	-0.4084
89	L	H	0.0000
90	K	H	-1.2592
91	L	H	0.0000
92	S	H	-0.9914
93	S	H	-0.9544
94	V	H	0.0000
95	T	H	-0.5712
96	A	H	-0.2279
97	A	H	-0.4144
98	D	H	0.0000
99	T	H	0.4373
100	A	H	0.0000
101	V	H	0.7014
102	Y	H	0.0000
103	Y	H	0.0000
104	C	H	0.0000
105	A	H	0.0000
106	R	H	-0.1677
107	D	H	0.0000
108	Y	H	-0.0134
109	G	H	-0.4880
110	P	H	-0.7347
111	G	H	-1.1293
111A	N	H	-1.4442
112A	Y	H	-0.6390
112	D	H	-0.3949
113	W	H	-0.0092
114	Y	H	0.0000
115	F	H	0.0000
116	D	H	-0.8008
117	L	H	-0.6460
118	W	H	0.0000
119	G	H	0.0000
120	R	H	-2.3646
121	G	H	-0.8746
122	T	H	0.2718
123	L	H	1.5245
124	V	H	0.0000
125	T	H	0.6586
126	V	H	0.0000
127	S	H	-0.3986
128	S	H	-0.7261
1	E	L	-1.4810
2	I	L	0.0000
3	V	L	0.6870
4	L	L	0.0000
5	T	L	-0.6373
6	Q	L	-0.6826
7	S	L	-0.7416
8	P	L	-0.3806
9	A	L	-0.3749
10	T	L	-0.4342
11	L	L	-0.0666
12	S	L	-0.1406
13	L	L	-0.5180
14	S	L	-0.9107
15	P	L	-1.3180
16	G	L	-1.6944
17	E	L	-2.3941
18	R	L	-2.5805
19	A	L	0.0000
20	T	L	-0.6707
21	L	L	0.0000
22	S	L	-0.8515
23	C	L	0.0000
24	R	L	-2.3490
25	A	L	0.0000
26	S	L	-1.0450
27	Q	L	-1.7597
28	S	L	-1.3103
29	V	L	0.0000
36	S	L	-0.5787
37	S	L	-0.3143
38	Y	L	0.2098
39	L	L	0.0000
40	A	L	0.0000
41	W	L	0.0000
42	Y	L	0.0000
43	Q	L	0.0000
44	Q	L	0.0000
45	K	L	-1.3973
46	P	L	-1.0167
47	G	L	-1.5142
48	Q	L	-2.1492
49	A	L	-1.4067
50	P	L	0.0000
51	R	L	-1.1297
52	L	L	0.0000
53	L	L	0.0000
54	I	L	0.0000
55	Y	L	-0.4130
56	D	L	-0.5646
57	A	L	0.0000
65	S	L	-0.9533
66	N	L	-1.4447
67	R	L	-1.4160
68	A	L	-1.0131
69	T	L	-0.7056
70	G	L	-0.6477
71	I	L	0.0000
72	P	L	-0.4246
74	A	L	-0.3570
75	R	L	-0.6683
76	F	L	0.0000
77	S	L	-0.7073
78	G	L	-0.7169
79	S	L	-0.7671
80	G	L	-1.0616
83	S	L	-0.9836
84	G	L	-1.1040
85	T	L	-1.7339
86	D	L	-2.0879
87	F	L	0.0000
88	T	L	-0.7528
89	L	L	0.0000
90	T	L	-0.6031
91	I	L	0.0000
92	S	L	-1.2623
93	S	L	-1.5726
94	L	L	0.0000
95	E	L	-1.8857
96	P	L	-1.1745
97	E	L	-1.8940
98	D	L	0.0000
99	F	L	-0.2624
100	A	L	0.0000
101	V	L	-0.1092
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	R	L	0.0000
108	S	L	-0.4680
109	N	L	-0.6998
110	W	L	0.1705
113	P	L	-0.3055
114	P	L	-0.5404
115	A	L	0.0000
116	L	L	0.0000
117	T	L	0.0364
118	F	L	0.0000
119	G	L	0.0000
120	G	L	-0.8379
121	G	L	-0.4740
122	T	L	0.0000
123	K	L	-0.9763
124	V	L	0.0000
125	E	L	0.0588
126	I	L	1.0374
127	K	L	-0.8887