Project name: af17db204c45719 [mutate: KM135A, KV26A] [mutate: KI119A]

Chain sequence(s)	A: PALPEDGGSGAFPPGHFKDPKMLYCVNGGFFLRIHPDGRVDGVREKSDPHIKLQLQAEERGVVSIKGVCANRYLAMKEDGRLLAHKLVTDECFFFERLESNNYNTYRSRKYTSWYVALKRTGQYKLGSKTGPGQMAILFLPMSAKS
Selected Chain(s)	A
Distance of aggregation	10 Å
FoldX usage	Yes
Dynamic mode	No
Automated mutations	No
Mutated residues	KI119A
Energy difference between WT (input) and mutated protein (by FoldX)	0.869875 kcal/mol

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                                                       (00:00:56)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:01:42)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:02:33)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:34)

• Minimal score value: -3.6119
• Maximal score value: 0.9545
• Average score: -0.9041
• Total score value: -132.0031

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	-0.9491
10	G	A	-1.2645
11	A	A	-0.1794
12	F	A	0.4921
13	P	A	0.0597
14	P	A	-0.2867
15	G	A	-0.6641
16	H	A	-0.8381
17	F	A	0.0959
18	K	A	-1.5631
19	D	A	-1.6318
20	P	A	-1.3079
21	K	A	-0.8932
22	M	A	0.0000
23	L	A	0.0000
24	Y	A	0.3043
25	C	A	0.0000
26	V	A	0.9545
27	N	A	-0.1709
28	G	A	-0.8031
29	G	A	-0.5466
30	F	A	-1.1886
31	F	A	0.0000
32	L	A	0.0000
33	R	A	-1.1840
34	I	A	0.0000
35	H	A	-1.8056
36	P	A	-2.0078
37	D	A	-2.8388
38	G	A	0.0000
39	R	A	-2.6895
40	V	A	0.0000
41	D	A	-1.1388
42	G	A	-1.1687
43	V	A	-1.8086
44	R	A	-3.0723
45	E	A	-3.6119
46	K	A	-3.2574
47	S	A	-2.1292
48	D	A	-1.9280
49	P	A	-0.9148
50	H	A	-0.7502
51	I	A	0.0000
52	K	A	-1.1805
53	L	A	0.0000
54	Q	A	-1.1574
55	L	A	-0.7944
56	Q	A	-1.1904
57	A	A	-1.1134
58	E	A	-1.8934
59	E	A	-2.6724
60	R	A	-2.6972
61	G	A	-1.7965
62	V	A	0.0000
63	V	A	0.0000
64	S	A	0.0000
65	I	A	0.0000
66	K	A	-1.0363
67	G	A	0.0000
68	V	A	-0.0766
69	C	A	0.0515
70	A	A	-1.3875
71	N	A	-1.7132
72	R	A	-1.6299
73	Y	A	-0.3856
74	L	A	0.0000
75	A	A	0.0000
76	M	A	0.0000
77	K	A	-2.9406
78	E	A	-3.5495
79	D	A	-3.3504
80	G	A	0.0000
81	R	A	-2.7035
82	L	A	0.0000
83	L	A	-1.1024
84	A	A	0.0000
85	H	A	-1.0481
86	K	A	-1.5871
87	L	A	0.7139
88	V	A	0.6669
89	T	A	-0.3681
90	D	A	-2.3170
91	E	A	-1.9299
92	C	A	0.0000
93	F	A	-1.2427
94	F	A	0.0000
95	F	A	-1.2650
96	E	A	-1.1270
97	R	A	-1.2983
98	L	A	-0.1934
99	E	A	-1.3528
100	S	A	-1.3744
101	N	A	-1.8737
102	N	A	-1.7889
103	Y	A	-0.5975
104	N	A	-0.6123
105	T	A	0.0000
106	Y	A	0.0000
107	R	A	-1.2935
108	S	A	0.0000
109	R	A	-2.4829
110	K	A	-2.9595
111	Y	A	0.0000
112	T	A	-0.8992
113	S	A	-0.8663
114	W	A	-0.8993
115	Y	A	0.0000
116	V	A	0.0000
117	A	A	0.0000
118	L	A	0.0000
119	I	A	-0.7911	mutated: KI119A
120	R	A	-1.7788
121	T	A	-1.2271
122	G	A	0.0000
123	Q	A	-1.3207
124	Y	A	-1.1444
125	K	A	-1.2470
126	L	A	-1.5008
127	G	A	0.0000
128	S	A	-1.7674
129	K	A	-1.8204
130	T	A	-1.1056
131	G	A	-0.7931
132	P	A	-0.5891
133	G	A	-0.6823
134	Q	A	-0.3886
135	M	A	0.4092
136	A	A	0.0000
137	I	A	0.0000
138	L	A	0.0000
139	F	A	0.0000
140	L	A	0.6002
141	P	A	0.2249
142	M	A	-0.0627
143	S	A	-0.8903
144	A	A	0.0000
145	K	A	-2.0316
146	S	A	-1.1199