Project name: RFC18

Chain sequence(s)	A: LTTTTTELPTVTADGTNGTATATLTINETVTLSAGDGVVFNLEGTLSENTNSPNSIGKEYTGKLKQTQTRSAGAGGSATVTTTLTLDITVAPYLKATLKASITKYSNK
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                                          (00:00:55)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:56)

• Minimal score value: -3.043
• Maximal score value: 0.7066
• Average score: -0.8178
• Total score value: -88.3246

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	L	A	0.6997
2	T	A	0.0258
3	T	A	0.0090
4	T	A	-0.4486
5	T	A	-0.5778
6	T	A	-0.9602
7	E	A	-1.9959
8	L	A	-0.9694
9	P	A	-0.7686
10	T	A	-0.8569
11	V	A	-0.0245
12	T	A	-0.6518
13	A	A	0.0000
14	D	A	-2.4140
15	G	A	0.0000
16	T	A	-1.7418
17	N	A	-1.6563
18	G	A	-1.0455
19	T	A	-0.6941
20	A	A	-0.8712
21	T	A	-0.7587
22	A	A	0.0000
23	T	A	-0.6874
24	L	A	0.0000
25	T	A	-0.9108
26	I	A	0.0000
27	N	A	-1.7519
28	E	A	-1.4380
29	T	A	-0.7194
30	V	A	0.0000
31	T	A	-0.2560
32	L	A	0.0000
33	S	A	-1.0370
34	A	A	-1.0968
35	G	A	-1.0059
36	D	A	-1.1469
37	G	A	0.0000
38	V	A	0.0000
39	V	A	-0.5472
40	F	A	0.0000
41	N	A	-1.6592
42	L	A	0.0000
43	E	A	-3.0430
44	G	A	0.0000
45	T	A	-1.2303
46	L	A	-0.2495
47	S	A	-0.9286
48	E	A	-1.0954
49	N	A	0.0000
50	T	A	-1.2629
51	N	A	-1.7773
52	S	A	0.0000
53	P	A	-0.9017
54	N	A	-1.1239
55	S	A	-0.6759
56	I	A	0.7066
57	G	A	-0.9198
58	K	A	-2.0027
59	E	A	-2.1721
60	Y	A	-0.6242
61	T	A	-0.8172
62	G	A	-0.7096
63	K	A	-1.9633
64	L	A	-1.5598
65	K	A	-2.9068
66	Q	A	-1.9806
67	T	A	-1.3691
68	Q	A	-1.2218
69	T	A	-1.1669
70	R	A	-1.6896
71	S	A	-1.2179
72	A	A	0.0000
73	G	A	-0.9516
74	A	A	-0.5782
75	G	A	-0.7234
76	G	A	-0.7233
77	S	A	-0.5837
78	A	A	-0.4349
79	T	A	-0.1805
80	V	A	-0.1833
81	T	A	-0.4696
82	T	A	-0.8981
83	T	A	-0.7854
84	L	A	0.0000
85	T	A	-0.8095
86	L	A	0.0000
87	D	A	-1.7628
88	I	A	-0.7897
89	T	A	-0.6904
90	V	A	0.0000
91	A	A	-0.4778
92	P	A	-1.0278
93	Y	A	-0.8264
94	L	A	-0.8132
95	K	A	-1.5022
96	A	A	0.0000
97	T	A	-1.0373
98	L	A	0.0000
99	K	A	-2.5388
100	A	A	0.0000
101	S	A	-1.2801
102	I	A	-0.5807
103	T	A	-0.4435
104	K	A	-0.6814
105	Y	A	-0.2871
106	S	A	-0.8279
107	N	A	-1.5978
108	K	A	-1.9776