Project name: af17db204c45719 [mutate: KM135A, KV26A]

Chain sequence(s)	A: PALPEDGGSGAFPPGHFKDPKMLYCKNGGFFLRIHPDGRVDGVREKSDPHIKLQLQAEERGVVSIKGVCANRYLAMKEDGRLLAHKLVTDECFFFERLESNNYNTYRSRKYTSWYVALKRTGQYKLGSKTGPGQKAILFLPMSAKS
Selected Chain(s)	A
Distance of aggregation	10 Å
FoldX usage	Yes
Dynamic mode	No
Automated mutations	No
Mutated residues	KV26A,KM135A
Energy difference between WT (input) and mutated protein (by FoldX)	1.27211 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                                                       (00:02:23)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:02:43)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:03:44)
[INFO]       Main:     Simulation completed successfully.                                          (00:03:45)

• Minimal score value: -3.6155
• Maximal score value: 0.9388
• Average score: -0.9194
• Total score value: -134.2352

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	P	A	0.1362
2	A	A	-0.0449
3	L	A	0.3576
4	P	A	-1.1937
5	E	A	-2.4623
6	D	A	-2.8085
7	G	A	-1.9870
8	G	A	-1.9720
9	S	A	-0.9500
10	G	A	-1.2632
11	A	A	-0.1813
12	F	A	0.4881
13	P	A	0.0517
14	P	A	-0.2910
15	G	A	-0.6690
16	H	A	-0.8403
17	F	A	0.0957
18	K	A	-1.5647
19	D	A	-1.6371
20	P	A	-1.3094
21	K	A	-0.8898
22	M	A	0.0000
23	L	A	0.0000
24	Y	A	0.3612
25	C	A	0.0000
26	V	A	0.9388	mutated: KV26A
27	N	A	-0.2186
28	G	A	-0.9392
29	G	A	-0.6042
30	F	A	-1.2735
31	F	A	0.0000
32	L	A	0.0000
33	R	A	-1.1591
34	I	A	0.0000
35	H	A	-1.8087
36	P	A	-2.0114
37	D	A	-2.8411
38	G	A	0.0000
39	R	A	-2.6847
40	V	A	0.0000
41	D	A	-1.2037
42	G	A	-1.2823
43	V	A	-1.7875
44	R	A	-3.0699
45	E	A	-3.6155
46	K	A	-3.2586
47	S	A	-2.1343
48	D	A	-1.9367
49	P	A	-0.9204
50	H	A	-0.7560
51	I	A	0.0000
52	K	A	-1.1841
53	L	A	0.0000
54	Q	A	-1.1565
55	L	A	-0.7895
56	Q	A	-1.1742
57	A	A	-1.0967
58	E	A	-1.8662
59	E	A	-2.6402
60	R	A	-2.6853
61	G	A	-1.7959
62	V	A	0.0000
63	V	A	0.0000
64	S	A	0.0000
65	I	A	0.0000
66	K	A	-1.0365
67	G	A	0.0000
68	V	A	-0.0790
69	C	A	0.0482
70	A	A	-1.3912
71	N	A	-1.6987
72	R	A	-1.6040
73	Y	A	-0.3529
74	L	A	0.0000
75	A	A	0.0000
76	M	A	0.0000
77	K	A	-2.9378
78	E	A	-3.5513
79	D	A	-3.3436
80	G	A	0.0000
81	R	A	-2.6622
82	L	A	0.0000
83	L	A	-1.0927
84	A	A	0.0000
85	H	A	-1.0001
86	K	A	-1.5169
87	L	A	0.8605
88	V	A	0.7443
89	T	A	-0.3273
90	D	A	-2.3297
91	E	A	-1.9437
92	C	A	0.0000
93	F	A	-1.2450
94	F	A	0.0000
95	F	A	-1.2742
96	E	A	-1.1354
97	R	A	-1.2976
98	L	A	-0.1827
99	E	A	-1.3368
100	S	A	-1.3526
101	N	A	-1.8296
102	N	A	-1.7594
103	Y	A	-0.5591
104	N	A	-0.5907
105	T	A	0.0000
106	Y	A	0.0000
107	R	A	-1.2929
108	S	A	0.0000
109	R	A	-2.5309
110	K	A	-3.0172
111	Y	A	0.0000
112	T	A	-0.9148
113	S	A	-0.8720
114	W	A	-0.8959
115	Y	A	0.0000
116	V	A	0.0000
117	A	A	0.0000
118	L	A	0.0000
119	K	A	-1.8322
120	R	A	-2.2505
121	T	A	-1.5491
122	G	A	0.0000
123	Q	A	-1.5305
124	Y	A	-1.3570
125	K	A	-1.4506
126	L	A	-1.5623
127	G	A	0.0000
128	S	A	-1.7506
129	K	A	-1.7990
130	T	A	-1.0775
131	G	A	-0.7824
132	P	A	-0.5776
133	G	A	-0.6672
134	Q	A	-0.3258
135	M	A	0.3429	mutated: KM135A
136	A	A	0.0000
137	I	A	0.0000
138	L	A	0.0000
139	F	A	0.0000
140	L	A	0.6196
141	P	A	0.2387
142	M	A	-0.0527
143	S	A	-0.8890
144	A	A	0.0000
145	K	A	-2.0322
146	S	A	-1.1199