Project name: mutVH

Chain sequence(s)	A: QVQLQQSGPELVKPGASVRMSCKTSGYTFTDYVISWFKQRPGQEREGIGEIFPRTGSTYYNENFKATATLTADKSSNTAYMQLSSLTSEDSAAYFCAFITSVDWAMEYWGQGTSVTVSS
Selected Chain(s)	A
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 A 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                                          (00:00:55)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:55)

• Minimal score value: -3.2497
• Maximal score value: 1.1889
• Average score: -0.7295
• Total score value: -86.8112

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	A	-1.4113
2	V	A	-0.7987
3	Q	A	-1.3331
4	L	A	0.0000
5	Q	A	-1.7484
6	Q	A	0.0000
7	S	A	-1.2183
8	G	A	-1.0715
9	P	A	-0.5718
10	E	A	-0.4615
11	L	A	0.7958
12	V	A	-0.2887
13	K	A	-1.6581
14	P	A	-1.5827
15	G	A	-1.0998
16	A	A	-0.8589
17	S	A	-1.0672
18	V	A	0.0000
19	R	A	-2.1979
20	M	A	0.0000
21	S	A	-0.9625
22	C	A	0.0000
23	K	A	-1.8248
24	T	A	0.0000
25	S	A	-1.1586
26	G	A	-0.9311
27	Y	A	-0.6829
28	T	A	-0.8768
29	F	A	0.0000
30	T	A	-1.8982
31	D	A	-1.9016
32	Y	A	-0.6700
33	V	A	-0.1267
34	I	A	0.0000
35	S	A	0.0000
36	W	A	0.0000
37	F	A	-0.2594
38	K	A	0.0000
39	Q	A	-1.6311
40	R	A	-1.8588
41	P	A	-1.3462
42	G	A	-1.6210
43	Q	A	-2.5287
44	E	A	-3.2497
45	R	A	-2.8164
46	E	A	-2.1098
47	G	A	-1.3075
48	I	A	0.0000
49	G	A	0.0000
50	E	A	0.0657
51	I	A	0.0000
52	F	A	0.0048
53	P	A	0.0000
54	R	A	-2.4372
55	T	A	-1.1527
56	G	A	-1.0628
57	S	A	-0.2097
58	T	A	0.5177
59	Y	A	0.7866
60	Y	A	-0.6679
61	N	A	-1.8693
62	E	A	-2.9484
63	N	A	-2.7912
64	F	A	0.0000
65	K	A	-2.4620
66	A	A	-1.3470
67	T	A	-0.8734
68	A	A	0.0000
69	T	A	-0.7218
70	L	A	0.0000
71	T	A	-0.4561
72	A	A	-1.2096
73	D	A	-2.0823
74	K	A	-2.6334
75	S	A	-1.4506
76	S	A	-1.4972
77	N	A	-1.8745
78	T	A	0.0000
79	A	A	0.0000
80	Y	A	-0.6507
81	M	A	0.0000
82	Q	A	-1.4063
83	L	A	0.0000
84	S	A	-0.7618
85	S	A	-0.7243
86	L	A	0.0000
87	T	A	-1.3627
88	S	A	-1.5570
89	E	A	-2.1119
90	D	A	-1.3198
91	S	A	-0.8305
92	A	A	-0.6548
93	A	A	-0.4788
94	Y	A	0.0000
95	F	A	-0.1249
96	C	A	0.0000
97	A	A	0.0000
98	F	A	0.0000
99	I	A	0.3872
100	T	A	0.3475
101	S	A	0.5423
102	V	A	1.1889
103	D	A	-0.4083
104	W	A	0.7244
105	A	A	0.3400
106	M	A	0.4331
107	E	A	-0.0624
108	Y	A	0.4508
109	W	A	0.1155
110	G	A	0.0000
111	Q	A	-1.3642
112	G	A	-0.7486
113	T	A	0.0000
114	S	A	-0.4887
115	V	A	0.0000
116	T	A	-0.2989
117	V	A	0.0000
118	S	A	-0.5905
119	S	A	-0.6896