Project name: uuu [mutate: KR1A, KR2A, VN3A]

Chain sequence(s)	A: KKVVLGKKGDTVELTCTASQKKSIQFHWKNSNQIKILGNQGSFLTKGPSKLNDRADSRRSLWDQGNFPLIIKNLKIEDSDTYICEVEDQKEEVQLLVFGLTANSDTHLLQGQSLTLTLESPPGSSPSVQCRSPRGKNIQGGKTLSVSQLELQDSGTWTCTVLQNQKKVEFKIDIVVLA
Selected Chain(s)	A
Distance of aggregation	10 Å
FoldX usage	Yes
Dynamic mode	No
Automated mutations	No
Mutated residues	KR1A,VN3A,KR2A
Energy difference between WT (input) and mutated protein (by FoldX)	3.14188 kcal/mol CAUTION: Your mutation/s can destabilize the protein structure

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]       FoldX:    Building mutant model                                                       (00:00:56)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:01:31)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:02:14)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:15)

• Minimal score value: -3.9479
• Maximal score value: 1.7659
• Average score: -1.313
• Total score value: -233.7204

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	R	A	-3.6097	mutated: KR1A
2	R	A	-3.8706	mutated: KR2A
3	N	A	-2.8789	mutated: VN3A
4	V	A	-1.7340
5	L	A	0.0000
6	G	A	0.0000
7	K	A	-2.4175
8	K	A	-3.5017
9	G	A	-3.0365
10	D	A	-3.3715
11	T	A	-2.4483
12	V	A	-1.5617
13	E	A	-1.8760
14	L	A	0.0000
15	T	A	-1.0580
16	C	A	0.0000
17	T	A	-0.7113
18	A	A	-2.1441
19	S	A	-1.7912
20	Q	A	-2.9236
21	K	A	-3.3235
22	K	A	-3.7038
23	S	A	-2.8699
24	I	A	-2.1011
25	Q	A	-2.1790
26	F	A	0.0000
27	H	A	-1.3472
28	W	A	0.0000
29	K	A	-1.3527
30	N	A	-1.4075
31	S	A	-1.5801
32	N	A	-1.8552
33	Q	A	-1.6423
34	I	A	-0.3768
35	K	A	-1.1856
36	I	A	0.0000
37	L	A	0.0000
38	G	A	0.0000
39	N	A	-0.8735
40	Q	A	-1.1566
41	G	A	-0.8188
42	S	A	-0.1857
43	F	A	1.0518
44	L	A	-0.1614
45	T	A	-0.5092
46	K	A	-1.4045
47	G	A	-1.0546
48	P	A	-1.1643
49	S	A	-1.4302
50	K	A	-2.2261
51	L	A	0.0000
52	N	A	-2.0799
53	D	A	-2.6402
54	R	A	-2.1291
55	A	A	0.0000
56	D	A	-1.8109
57	S	A	0.0000
58	R	A	-2.5616
59	R	A	-2.7372
60	S	A	-2.0519
61	L	A	-2.0019
62	W	A	-2.3369
63	D	A	-3.3544
64	Q	A	-3.0244
65	G	A	0.0000
66	N	A	-1.5263
67	F	A	0.0000
68	P	A	0.0000
69	L	A	0.0000
70	I	A	0.0000
71	I	A	0.0000
72	K	A	-2.8311
73	N	A	-2.9993
74	L	A	0.0000
75	K	A	-2.3586
76	I	A	-1.4606
77	E	A	-1.3462
78	D	A	0.0000
79	S	A	0.0000
80	D	A	-1.0226
81	T	A	-1.5713
82	Y	A	0.0000
83	I	A	-2.0980
84	C	A	0.0000
85	E	A	-3.2353
86	V	A	0.0000
87	E	A	-3.6370
88	D	A	-3.7512
89	Q	A	-3.6156
90	K	A	-3.9479
91	E	A	-3.5891
92	E	A	-3.8198
93	V	A	0.0000
94	Q	A	-2.0086
95	L	A	0.0000
96	L	A	0.0000
97	V	A	0.0000
98	F	A	0.0000
99	G	A	0.0000
100	L	A	-1.2584
101	T	A	-0.9997
102	A	A	-1.5619
103	N	A	-1.9285
104	S	A	-1.8334
105	D	A	-2.4230
106	T	A	-1.8507
107	H	A	-1.1840
108	L	A	0.2498
109	L	A	1.1596
110	Q	A	-0.1265
111	G	A	-1.1482
112	Q	A	-1.7653
113	S	A	-1.0089
114	L	A	0.0000
115	T	A	-0.8320
116	L	A	0.0000
117	T	A	-1.3403
118	L	A	0.0000
119	E	A	-1.9476
120	S	A	-1.3869
121	P	A	0.0000
122	P	A	-0.7417
123	G	A	-0.7336
124	S	A	-0.7602
125	S	A	-0.9556
126	P	A	0.0000
127	S	A	-0.6191
128	V	A	0.0000
129	Q	A	-1.4264
130	C	A	0.0000
131	R	A	-3.2835
132	S	A	0.0000
133	P	A	-2.1820
134	R	A	-3.4145
135	G	A	-2.7179
136	K	A	-3.2312
137	N	A	-2.7571
138	I	A	-1.2769
139	Q	A	-1.7849
140	G	A	-1.4022
141	G	A	0.0000
142	K	A	-2.2929
143	T	A	-1.4295
144	L	A	-0.8473
145	S	A	-0.5625
146	V	A	-0.3617
147	S	A	-1.1903
148	Q	A	-2.0185
149	L	A	0.0000
150	E	A	-2.2115
151	L	A	-0.1817
152	Q	A	-1.5504
153	D	A	0.0000
154	S	A	-0.3463
155	G	A	-1.1990
156	T	A	-1.5974
157	W	A	0.0000
158	T	A	-1.9471
159	C	A	0.0000
160	T	A	-1.2061
161	V	A	0.0000
162	L	A	-1.0138
163	Q	A	-1.5036
164	N	A	-2.7024
165	Q	A	-2.7159
166	K	A	-2.7812
167	K	A	-2.3950
168	V	A	-1.4174
169	E	A	-1.7253
170	F	A	-1.3683
171	K	A	-2.3343
172	I	A	-1.5688
173	D	A	-2.1591
174	I	A	0.0000
175	V	A	0.0533
176	V	A	0.0000
177	L	A	1.7659
178	A	A	0.8997