Project name: RFC19

Chain sequence(s)	A: YTKTTTTVVEVTGGGVYAEIGLKITEVDGKVTIEKEPLTFVEPGQTLVKTDVDTFTGSVKLYTFSHSRTRVANTPEEKAQAKEELKALAEQAEKSAEKFEKKFKEDLA
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                                          (00:02:50)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:51)

• Minimal score value: -4.5601
• Maximal score value: 1.9847
• Average score: -1.1941
• Total score value: -128.9597

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	Y	A	0.8598
2	T	A	0.1854
3	K	A	-0.8587
4	T	A	-0.4964
5	T	A	-0.4068
6	T	A	0.3988
7	T	A	1.0041
8	V	A	1.9847
9	V	A	0.4419
10	E	A	-1.3891
11	V	A	-1.1481
12	T	A	-0.8924
13	G	A	-0.6148
14	G	A	0.0000
15	G	A	0.0000
16	V	A	0.0000
17	Y	A	0.0000
18	A	A	0.0000
19	E	A	-0.9234
20	I	A	0.0000
21	G	A	0.0000
22	L	A	0.0000
23	K	A	-0.8775
24	I	A	0.0000
25	T	A	-0.6430
26	E	A	-1.1097
27	V	A	-1.4298
28	D	A	-2.5693
29	G	A	-2.0770
30	K	A	-2.2216
31	V	A	-1.0301
32	T	A	-0.4585
33	I	A	-0.5116
34	E	A	-2.3244
35	K	A	-2.6690
36	E	A	-2.5650
37	P	A	-1.2421
38	L	A	-0.5840
39	T	A	-0.0830
40	F	A	-0.0334
41	V	A	0.0000
42	E	A	-1.2787
43	P	A	-1.1974
44	G	A	-1.5237
45	Q	A	-1.5214
46	T	A	-0.5370
47	L	A	0.7945
48	V	A	1.9047
49	K	A	0.6062
50	T	A	0.0692
51	D	A	-0.8249
52	V	A	0.6017
53	D	A	0.1577
54	T	A	0.3084
55	F	A	0.4357
56	T	A	-0.0222
57	G	A	-0.5065
58	S	A	-0.7487
59	V	A	-0.5909
60	K	A	-1.1543
61	L	A	0.0402
62	Y	A	0.5465
63	T	A	0.3356
64	F	A	0.2111
65	S	A	-0.4319
66	H	A	-0.6772
67	S	A	-0.9321
68	R	A	-1.2947
69	T	A	-0.4369
70	R	A	-0.5357
71	V	A	0.8400
72	A	A	0.0000
73	N	A	-1.7623
74	T	A	-1.9234
75	P	A	-2.1799
76	E	A	-3.2982
77	E	A	-3.3833
78	K	A	-2.8562
79	A	A	-2.7064
80	Q	A	-3.6751
81	A	A	-2.6524
82	K	A	-2.9780
83	E	A	-3.6670
84	E	A	-3.3265
85	L	A	0.0000
86	K	A	-2.8575
87	A	A	-2.3550
88	L	A	-2.0218
89	A	A	0.0000
90	E	A	-3.3085
91	Q	A	-3.0222
92	A	A	-2.5311
93	E	A	-3.4893
94	K	A	-3.5823
95	S	A	-2.7550
96	A	A	0.0000
97	E	A	-3.8317
98	K	A	-3.9261
99	F	A	-2.7553
100	E	A	-3.3336
101	K	A	-4.5601
102	K	A	-4.5248
103	F	A	0.0000
104	K	A	-3.5780
105	E	A	-4.0624
106	D	A	-3.4403
107	L	A	-1.6988
108	A	A	-1.2705