Project name: SONAM YADAV

Chain sequence(s)	A: MKSLLFTLILFILLVQLVSGNWYVRKCANKTGNCRSTCRNGEKAINPPTGMCSKEKLCCVLDDGCSKTIPPGGSSMTSAATGGSTTG
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]                                                (00:00:01)
[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]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:01:26)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:27)

• Minimal score value: -3.0294
• Maximal score value: 5.5858
• Average score: 0.0946
• Total score value: 8.2336

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	M	A	0.8283
2	K	A	-0.2773
3	S	A	0.8117
4	L	A	2.1846
5	L	A	3.0266
6	F	A	3.7196
7	T	A	3.3155
8	L	A	4.7751
9	I	A	5.4000
10	L	A	5.0447
11	F	A	5.5858
12	I	A	5.1515
13	L	A	5.0125
14	L	A	4.9464
15	V	A	3.5759
16	Q	A	1.9821
17	L	A	3.1340
18	V	A	2.9387
19	S	A	1.3955
20	G	A	0.5338
21	N	A	-0.1088
22	W	A	1.2639
23	Y	A	1.1232
24	V	A	0.1917
25	R	A	-1.3276
26	K	A	-2.4656
27	C	A	0.0000
28	A	A	-1.4286
29	N	A	-2.4415
30	K	A	-3.0294
31	T	A	-1.2850
32	G	A	0.0000
33	N	A	-1.1137
34	C	A	0.0000
35	R	A	-1.1712
36	S	A	-1.2340
37	T	A	-1.0320
38	C	A	-1.2309
39	R	A	-2.4948
40	N	A	-2.4332
41	G	A	-1.9651
42	E	A	-1.6367
43	K	A	-1.4399
44	A	A	-0.5376
45	I	A	-0.4353
46	N	A	-1.3046
47	P	A	-0.9582
48	P	A	-0.4175
49	T	A	-0.8273
50	G	A	-0.6069
51	M	A	0.2874
52	C	A	-0.8675
53	S	A	-1.5204
54	K	A	-2.5685
55	E	A	-2.9272
56	K	A	-1.9399
57	L	A	-0.6853
58	C	A	0.0000
59	C	A	0.0000
60	V	A	-0.4920
61	L	A	-0.4535
62	D	A	-2.1212
63	D	A	-2.2405
64	G	A	-1.5574
65	C	A	-0.9179
66	S	A	-1.2296
67	K	A	-1.1856
68	T	A	0.0256
69	I	A	1.2538
70	P	A	0.1597
71	P	A	-0.2461
72	G	A	-0.6939
73	G	A	-0.8290
74	S	A	-0.4675
75	S	A	0.0517
76	M	A	0.7621
77	T	A	0.2782
78	S	A	0.0237
79	A	A	-0.0085
80	A	A	-0.2041
81	T	A	-0.4140
82	G	A	-0.7651
83	G	A	-0.8337
84	S	A	-0.6687
85	T	A	-0.4856
86	T	A	-0.4753
87	G	A	-0.5490