Project name: WH18.pdb [mutate: VL12H]

Chain sequence(s)	H: EVQLVESGGGVVQPGGSLRLSCVASGNIFRSLHMGWYRQAPGKQRELVAIITDTSSTGYTDSVKGRFTISRDNSKNTLYLQMNSLRAEDTAVYYCNARLANIYWGQGTTVTVSS
Selected Chain(s)	H
Distance of aggregation	10 Å
FoldX usage	Yes
Dynamic mode	No
Automated mutations	No
Mutated residues	VL12H
Energy difference between WT (input) and mutated protein (by FoldX)	-0.613008 kcal/mol

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 H 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]       FoldX:    Building mutant model                                                       (00:00:16)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:18)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:35)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:35)

• Minimal score value: -2.8446
• Maximal score value: 1.2206
• Average score: -0.6851
• Total score value: -78.0988

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	-2.2133
2	V	H	-1.3489
3	Q	H	-1.1791
4	L	H	0.0000
5	V	H	1.2206
6	E	H	0.0000
7	S	H	-0.3052
8	G	H	-1.0817
9	G	H	-0.4337
11	G	H	0.2404
12	L	H	1.2033	mutated: VL12H
13	V	H	0.0054
14	Q	H	-1.3291
15	P	H	-1.5648
16	G	H	-1.3370
17	G	H	-0.9167
18	S	H	-1.2019
19	L	H	-0.9125
20	R	H	-2.1608
21	L	H	0.0000
22	S	H	-0.1495
23	C	H	0.0000
24	V	H	0.9560
25	A	H	0.0000
26	S	H	-0.9989
27	G	H	-1.5468
28	N	H	-2.0777
29	I	H	0.0000
30	F	H	0.0000
35	R	H	-2.8446
36	S	H	-1.5373
37	L	H	-1.1105
38	H	H	-1.1553
39	M	H	0.0000
40	G	H	0.0000
41	W	H	0.0000
42	Y	H	0.2523
43	R	H	0.0000
44	Q	H	-1.3560
45	A	H	-1.4511
46	P	H	-1.2381
47	G	H	-1.7480
48	K	H	-2.8251
49	Q	H	-2.5847
50	R	H	-1.7630
51	E	H	-1.0743
52	L	H	0.2427
53	V	H	0.0000
54	A	H	0.0000
55	I	H	0.2533
56	I	H	0.0000
57	T	H	-1.2394
58	D	H	-2.0160
59	T	H	-1.0639
63	S	H	-1.0115
64	S	H	-0.5928
65	T	H	-0.3221
66	G	H	-0.4100
67	Y	H	-0.7947
68	T	H	-1.2497
69	D	H	-2.5591
70	S	H	-1.8333
71	V	H	0.0000
72	K	H	-2.6639
74	G	H	-1.7463
75	R	H	-1.4974
76	F	H	0.0000
77	T	H	-0.8732
78	I	H	0.0000
79	S	H	-0.3979
80	R	H	-1.2661
81	D	H	-1.5326
82	N	H	-2.2395
83	S	H	-1.7329
84	K	H	-2.1061
85	N	H	-1.8427
86	T	H	0.0000
87	L	H	0.0000
88	Y	H	-0.4014
89	L	H	0.0000
90	Q	H	-1.4119
91	M	H	0.0000
92	N	H	-1.3397
93	S	H	-1.1350
94	L	H	0.0000
95	R	H	-2.0939
96	A	H	-1.6149
97	E	H	-2.2001
98	D	H	0.0000
99	T	H	-0.5780
100	A	H	0.0000
101	V	H	0.1062
102	Y	H	0.0000
103	Y	H	0.1902
104	C	H	0.0000
105	N	H	0.0000
106	A	H	0.0000
107	R	H	-0.0225
108	L	H	0.4870
114	A	H	0.2036
115	N	H	0.0013
116	I	H	1.0535
117	Y	H	0.4626
118	W	H	0.6138
119	G	H	0.0691
120	Q	H	-0.8643
121	G	H	-0.2040
122	T	H	-0.1734
123	T	H	0.0205
124	V	H	0.0000
125	T	H	0.0187
126	V	H	0.0000
127	S	H	-0.7179
128	S	H	-0.5056