Project name: HIMA SREE

Chain sequence(s)	A: KVFERCELARTLKRLGMDGYRGISLANWMCLAKWESGYNTRATNYNAGDRSTDYGIFQINSRYWCNDGKTPGAVNACHLSCSALLQDNIADAVACAKRVVRDPQGIRAWVAWRNRCQNRDVRQYVQGCGV
Selected Chain(s)	A
Distance of aggregation	10 Å
FoldX usage	Yes
Dynamic mode	No
Automated mutations	No

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]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:01:16)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:16)

• Minimal score value: -4.2899
• Maximal score value: 1.5152
• Average score: -1.063
• Total score value: -138.1872

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	K	A	-2.3890
2	V	A	-0.2587
3	F	A	0.0000
4	E	A	-2.1260
5	R	A	-1.8433
6	C	A	-1.5101
7	E	A	-1.8673
8	L	A	0.0000
9	A	A	0.0000
10	R	A	-2.2277
11	T	A	-1.6993
12	L	A	0.0000
13	K	A	-2.4017
14	R	A	-2.5710
15	L	A	-1.2743
16	G	A	-1.4321
17	M	A	0.0000
18	D	A	-2.1562
19	G	A	-1.7470
20	Y	A	-1.7204
21	R	A	-2.6469
22	G	A	-1.6477
23	I	A	0.0000
24	S	A	-1.2781
25	L	A	0.0000
26	A	A	-1.2026
27	N	A	-1.1510
28	W	A	0.0000
29	M	A	0.0000
30	C	A	0.0000
31	L	A	0.0000
32	A	A	0.0000
33	K	A	-1.0454
34	W	A	-0.5369
35	E	A	-0.2435
36	S	A	-0.7251
37	G	A	-0.6122
38	Y	A	0.0000
39	N	A	-1.3095
40	T	A	0.0000
41	R	A	-2.5086
42	A	A	-1.3487
43	T	A	-0.9784
44	N	A	-0.8178
45	Y	A	-0.2250
46	N	A	-1.2948
47	A	A	-1.2491
48	G	A	-1.6721
49	D	A	-2.6690
50	R	A	-2.9420
51	S	A	0.0000
52	T	A	0.0000
53	D	A	-0.6576
54	Y	A	0.0000
55	G	A	0.0000
56	I	A	0.0000
57	F	A	0.0000
58	Q	A	0.0000
59	I	A	0.0000
60	N	A	-0.4610
61	S	A	0.0000
62	R	A	-0.6868
63	Y	A	1.0995
64	W	A	0.2289
65	C	A	0.0000
66	N	A	-1.1658
67	D	A	-1.5881
68	G	A	-1.7961
69	K	A	-2.6031
70	T	A	0.0000
71	P	A	-1.4180
72	G	A	-0.3142
73	A	A	0.0469
74	V	A	1.5152
75	N	A	0.1572
76	A	A	0.1845
77	C	A	-0.4424
78	H	A	-0.8074
79	L	A	-0.7324
80	S	A	-0.8205
81	C	A	0.0000
82	S	A	-0.7225
83	A	A	-1.0260
84	L	A	0.0000
85	L	A	-2.0108
86	Q	A	-3.1192
87	D	A	-3.5127
88	N	A	-2.8833
89	I	A	0.0000
90	A	A	-1.0963
91	D	A	-1.3467
92	A	A	0.0000
93	V	A	0.0000
94	A	A	-0.5630
95	C	A	0.0000
96	A	A	0.0000
97	K	A	-1.6241
98	R	A	-1.7487
99	V	A	0.0000
100	V	A	0.0000
101	R	A	-3.0519
102	D	A	-2.2177
103	P	A	-1.4595
104	Q	A	-1.6064
105	G	A	-2.0637
106	I	A	0.0000
107	R	A	-1.8388
108	A	A	-0.6956
109	W	A	0.0000
110	V	A	0.3649
111	A	A	-0.6980
112	W	A	-1.5705
113	R	A	-2.8063
114	N	A	-2.7949
115	R	A	-3.1128
116	C	A	0.0000
117	Q	A	-3.1888
118	N	A	-3.3632
119	R	A	-4.2899
120	D	A	-3.8969
121	V	A	-3.0646
122	R	A	-3.3782
123	Q	A	-2.7804
124	Y	A	0.0000
125	V	A	-1.4465
126	Q	A	-2.1332
127	G	A	-1.1617
128	C	A	0.0000
129	G	A	-0.4878
130	V	A	-0.2018