Project name: fab97d0ad2e0b9b [mutate: RA109L]

Chain sequence(s)	L: DIVLTQSPATLSVTPGESVSLSCRASQSISNNLHWYQQKSHESPRLLIKYASQSISGIPSRFSGSGSGTDFTLSINSVETEDFGMYYCQQSNSWPLTFGAGTKLELKR
Selected Chain(s)	L
Distance of aggregation	10 Å
FoldX usage	Yes
Dynamic mode	No
Automated mutations	No
Mutated residues	RA109L
Energy difference between WT (input) and mutated protein (by FoldX)	0.922939 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 L 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                                                       (00:00:54)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:01:00)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:01:27)
[INFO]       Movie:    Creting movie with webm format                                              (00:02:39)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:40)

• Minimal score value: -2.9578
• Maximal score value: 2.5112
• Average score: -0.6316
• Total score value: -68.2139

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
2	D	L	-1.0422
3	I	L	0.0000
4	V	L	1.2736
5	L	L	0.0000
6	T	L	-0.2157
7	Q	L	0.0000
8	S	L	-0.6249
9	P	L	-0.3492
10	A	L	-0.2439
11	T	L	-0.6361
12	L	L	-0.4131
13	S	L	-0.7937
14	V	L	0.0000
15	T	L	-1.3013
16	P	L	-1.6633
17	G	L	-2.0409
18	E	L	-2.4761
19	S	L	-1.9886
20	V	L	0.0000
21	S	L	-0.5566
22	L	L	0.0000
23	S	L	-0.9318
24	C	L	0.0000
25	R	L	-2.3932
26	A	L	0.0000
27	S	L	-1.1372
28	Q	L	-1.7782
29	S	L	-1.6727
30	I	L	0.0000
31	S	L	-1.4425
32	N	L	-1.7614
33	N	L	-1.1639
34	L	L	0.0000
35	H	L	0.0000
36	W	L	0.0000
37	Y	L	-0.1250
38	Q	L	0.0000
39	Q	L	-1.6311
40	K	L	-2.1477
41	S	L	-1.6197
42	H	L	-2.2739
43	E	L	-2.9578
44	S	L	-1.8568
45	P	L	-1.4424
46	R	L	-1.3137
47	L	L	-0.0906
48	L	L	0.0000
49	I	L	0.0000
50	K	L	-0.8505
51	Y	L	-0.5192
52	A	L	0.0000
53	S	L	-1.0677
54	Q	L	-1.4412
55	S	L	-0.6053
56	I	L	0.0530
57	S	L	-0.2185
58	G	L	-0.3370
59	I	L	0.0221
60	P	L	-0.2806
61	S	L	-0.6472
62	R	L	-1.1449
63	F	L	0.0000
64	S	L	-0.8754
65	G	L	0.0000
66	S	L	-0.8343
67	G	L	-1.1843
68	S	L	-1.3501
69	G	L	-1.5400
70	T	L	-1.9470
71	D	L	-2.2402
72	F	L	0.0000
73	T	L	-0.8424
74	L	L	0.0000
75	S	L	-0.7262
76	I	L	0.0000
77	N	L	-2.2334
78	S	L	-2.1320
79	V	L	0.0000
80	E	L	-2.5098
81	T	L	-1.5879
82	E	L	-2.3381
83	D	L	0.0000
84	F	L	-0.9200
85	G	L	0.0000
86	M	L	-0.5830
87	Y	L	0.0000
88	Y	L	0.4617
89	C	L	0.0000
90	Q	L	0.0000
91	Q	L	0.0000
92	S	L	-0.0422
93	N	L	-1.1249
94	S	L	-0.3746
95	W	L	0.7853
96	P	L	0.6780
97	L	L	1.7904
98	T	L	1.6468
99	F	L	2.5112
100	G	L	1.0227
101	A	L	0.5881
102	G	L	0.0950
103	T	L	0.0000
104	K	L	-1.0937
105	L	L	0.0000
106	E	L	-1.2834
107	L	L	-0.2199
108	K	L	-1.3531
109	A	L	-0.6086	mutated: RA109L