Project name: RFC25

Chain sequence(s)	A: TVTSTADVESDGKKSTITQTFPTPKPGETINVNVTVKGTNKVSLNLTTTVTTPGGFTGNLIVEPEVNGGGGANIDVDLSVTTGADAGGVTTITVNIDVDSKEKKEIDLTVNVTIQAAYTN
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                                          (00:01:02)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:03)

• Minimal score value: -4.2409
• Maximal score value: 0.602
• Average score: -1.1539
• Total score value: -138.4648

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	T	A	-0.0736
2	V	A	0.0000
3	T	A	-0.2832
4	S	A	0.0000
5	T	A	-0.2755
6	A	A	0.0000
7	D	A	-1.3065
8	V	A	0.0000
9	E	A	-3.3508
10	S	A	-2.6816
11	D	A	-2.6579
12	G	A	-2.4278
13	K	A	-3.3828
14	K	A	-3.3721
15	S	A	-1.6706
16	T	A	-0.5670
17	I	A	0.3650
18	T	A	-0.2101
19	Q	A	-0.7650
20	T	A	-0.3924
21	F	A	-0.1311
22	P	A	-0.3527
23	T	A	-0.7121
24	P	A	-1.5007
25	K	A	-2.3716
26	P	A	-1.6201
27	G	A	-1.6849
28	E	A	-2.6107
29	T	A	-1.8342
30	I	A	0.0000
31	N	A	-1.8463
32	V	A	0.0000
33	N	A	-2.0868
34	V	A	0.0000
35	T	A	-1.0874
36	V	A	0.0000
37	K	A	-2.7143
38	G	A	-2.7884
39	T	A	-3.1223
40	N	A	-3.2152
41	K	A	-3.4016
42	V	A	0.0000
43	S	A	-2.2480
44	L	A	0.0000
45	N	A	-1.2535
46	L	A	0.0000
47	T	A	-0.2687
48	T	A	0.0000
49	T	A	-0.0026
50	V	A	0.0000
51	T	A	-0.3022
52	T	A	-0.2521
53	P	A	-0.5234
54	G	A	-0.6492
55	G	A	-0.5982
56	F	A	0.0661
57	T	A	-0.0386
58	G	A	-0.7101
59	N	A	-1.0033
60	L	A	-0.1763
61	I	A	-0.1953
62	V	A	-0.5306
63	E	A	-2.0697
64	P	A	-1.7322
65	E	A	-2.2310
66	V	A	-1.1735
67	N	A	-2.1014
68	G	A	-1.9750
69	G	A	-2.1121
70	G	A	-1.4044
71	G	A	-1.2549
72	A	A	-2.7029
73	N	A	-2.8429
74	I	A	-2.4499
75	D	A	-2.4316
76	V	A	-0.8782
77	D	A	-1.9319
78	L	A	-0.3776
79	S	A	-0.2084
80	V	A	0.6020
81	T	A	0.2004
82	T	A	0.1603
83	G	A	-0.4915
84	A	A	-0.8590
85	D	A	-1.8487
86	A	A	-1.0144
87	G	A	-1.0758
88	G	A	-0.8187
89	V	A	-0.4947
90	T	A	0.0000
91	T	A	-0.3009
92	I	A	0.0000
93	T	A	-0.0726
94	V	A	0.0000
95	N	A	-1.2065
96	I	A	0.0000
97	D	A	-2.4116
98	V	A	0.0000
99	D	A	-3.2123
100	S	A	0.0000
101	K	A	-4.0307
102	E	A	-4.1512
103	K	A	-4.2409
104	K	A	-3.7383
105	E	A	-3.6505
106	I	A	0.0000
107	D	A	-2.2104
108	L	A	0.0000
109	T	A	-1.6606
110	V	A	0.0000
111	N	A	-1.9627
112	V	A	0.0000
113	T	A	-1.0184
114	I	A	0.0000
115	Q	A	-1.6060
116	A	A	-1.2144
117	A	A	-0.6013
118	Y	A	0.2704
119	T	A	-0.1397
120	N	A	-0.9702