Project name: 7340cebb3381c23 [mutate: KL16A, RL31A, TR67A, GR73A, LG69A, LG76A, ID107A, VG114A, LD135A]

Chain sequence(s)	A: VLSEGEWQLVLHVWAKVEADVAGHGQDILIRLFKSHPETLEKFDRFKHLKTEAEMKASEDLKKHGVTVLTALGAILKKKGHHEAELKPLAQSHATKHKIPIKYLEFISEAIIHVLHSRHPGDFGADAQGAMNKALELFRKDIAAKYKELGYQG
Selected Chain(s)	A
Distance of aggregation	10 Å
FoldX usage	Yes
Dynamic mode	No
Automated mutations	No
Mutated residues	ID107A,RL31A,KL16A,LG69A,LG76A,TR67A,GR73A,LD135A,VG114A
Energy difference between WT (input) and mutated protein (by FoldX)	18.0836 kcal/mol CAUTION: Your mutation/s can destabilize the protein structure

Simulation log

[INFO]       Logger:   Verbosity set to: 2 - [INFO]                                                (00:00:01)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:01)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       FoldX:    Building mutant model                                                       (00:02:22)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:08:57)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:11:43)
[INFO]       Main:     Simulation completed successfully.                                          (00:11:44)

• Minimal score value: -3.8577
• Maximal score value: 1.2305
• Average score: -1.3206
• Total score value: -202.0485

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	V	A	1.2305
2	L	A	0.0000
3	S	A	-1.0504
4	E	A	-2.3404
5	G	A	-1.8056
6	E	A	-1.7893
7	W	A	-1.7950
8	Q	A	-1.9134
9	L	A	-1.1922
10	V	A	0.0000
11	L	A	-0.8711
12	H	A	-0.8467
13	V	A	0.0000
14	W	A	0.0000
15	A	A	-0.4069
16	L	A	-0.5302	mutated: KL16A
17	V	A	0.0000
18	E	A	-0.9571
19	A	A	-0.8515
20	D	A	-1.5590
21	V	A	-0.9106
22	A	A	-0.9980
23	G	A	-0.8368
24	H	A	0.0000
25	G	A	0.0000
26	Q	A	0.0000
27	D	A	-0.5044
28	I	A	-0.2821
29	L	A	0.0000
30	I	A	0.0000
31	L	A	-0.7736	mutated: RL31A
32	L	A	0.0000
33	F	A	0.0000
34	K	A	-2.2580
35	S	A	-1.2954
36	H	A	-1.2127
37	P	A	-1.6783
38	E	A	-1.8834
39	T	A	0.0000
40	L	A	-2.6499
41	E	A	-3.4756
42	K	A	-2.8717
43	F	A	-2.5689
44	D	A	-3.4305
45	R	A	-2.9448
46	F	A	0.0000
47	K	A	-3.8577
48	H	A	-3.0299
49	L	A	0.0000
50	K	A	-2.9315
51	T	A	-2.3398
52	E	A	-2.5812
53	A	A	-1.7432
54	E	A	-2.2983
55	M	A	0.0000
56	K	A	-2.3462
57	A	A	-1.7381
58	S	A	-2.0850
59	E	A	-2.9990
60	D	A	-2.5283
61	L	A	0.0000
62	K	A	-2.6463
63	K	A	-2.5836
64	H	A	-1.8117
65	G	A	0.0000
66	V	A	-0.9620
67	R	A	-1.6893	mutated: TR67A
68	V	A	-0.3552
69	G	A	-0.2979	mutated: LG69A
70	T	A	-0.5486
71	A	A	-0.3799
72	L	A	-0.4288
73	R	A	-1.1291	mutated: GR73A
74	A	A	-1.1027
75	I	A	0.0000
76	G	A	-1.5921	mutated: LG76A
77	K	A	-2.3046
78	K	A	-2.6909
79	K	A	-2.3059
80	G	A	-1.4525
81	H	A	-2.3596
82	H	A	0.0000
83	E	A	-2.6647
84	A	A	-1.5719
85	E	A	-1.4660
86	L	A	0.0000
87	K	A	-1.8827
88	P	A	-1.2133
89	L	A	-0.5913
90	A	A	0.0000
91	Q	A	-1.3990
92	S	A	-1.6279
93	H	A	-1.5583
94	A	A	0.0000
95	T	A	-1.5473
96	K	A	-2.6743
97	H	A	-2.5063
98	K	A	-2.3321
99	I	A	-1.3397
100	P	A	-1.1170
101	I	A	-1.3190
102	K	A	-2.0274
103	Y	A	-1.2136
104	L	A	-1.3193
105	E	A	-2.4090
106	F	A	-1.2376
107	D	A	-1.1419	mutated: ID107A
108	S	A	0.0000
109	E	A	-2.0889
110	A	A	0.0000
111	I	A	0.0000
112	I	A	-1.1903
113	H	A	-1.7011
114	G	A	-1.4184	mutated: VG114A
115	L	A	0.0000
116	H	A	-2.2024
117	S	A	-1.8502
118	R	A	-2.5591
119	H	A	-1.8147
120	P	A	-1.5971
121	G	A	-1.3145
122	D	A	-1.5653
123	F	A	0.0000
124	G	A	-1.3902
125	A	A	-1.3389
126	D	A	-2.0954
127	A	A	0.0000
128	Q	A	-1.6454
129	G	A	-1.4019
130	A	A	0.0000
131	M	A	0.0000
132	N	A	-2.0268
133	K	A	-1.8375
134	A	A	-1.3700
135	D	A	0.0000	mutated: LD135A
136	E	A	-2.9545
137	L	A	-1.4664
138	F	A	-1.1911
139	R	A	-2.1041
140	K	A	-2.2703
141	D	A	-1.7306
142	I	A	0.0000
143	A	A	-1.6503
144	A	A	-1.6569
145	K	A	-1.9691
146	Y	A	0.0000
147	K	A	-2.8036
148	E	A	-2.5714
149	L	A	-1.0997
150	G	A	-1.3484
151	Y	A	-1.1422
152	Q	A	-1.8226
153	G	A	-1.3277