Project name: 1HMT_A3D_static

Chain sequence(s)	A: VDAFLGTWKLVDSKNFDDYMKSLGVGFATRQVASMTKPTTIIEKNGDILTLKTHSTFKNTEISFKLGVEFDETTADDRKVKSIVTLDGGKLVHLQKWDGQETTLVRELIDGKLILTLTHGTAVCTRTYEKE
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                                          (00:02:06)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:06)

• Minimal score value: -3.471
• Maximal score value: 1.1602
• Average score: -0.9939
• Total score value: -130.201

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	V	A	-0.6567
2	D	A	-1.8573
3	A	A	-0.6719
4	F	A	0.0000
5	L	A	-1.1084
6	G	A	-1.3542
7	T	A	-1.6046
8	W	A	0.0000
9	K	A	-2.4496
10	L	A	0.0000
11	V	A	-0.3098
12	D	A	-1.4729
13	S	A	-1.8170
14	K	A	-2.5736
15	N	A	-2.2326
16	F	A	-1.6086
17	D	A	-2.1256
18	D	A	-2.0394
19	Y	A	0.0000
20	M	A	0.0000
21	K	A	-1.7647
22	S	A	-1.0553
23	L	A	-0.9689
24	G	A	-0.8027
25	V	A	-0.7916
26	G	A	-0.0042
27	F	A	1.1602
28	A	A	0.6722
29	T	A	0.3235
30	R	A	-0.2483
31	Q	A	-0.1058
32	V	A	0.8050
33	A	A	0.0512
34	S	A	-0.3874
35	M	A	0.6238
36	T	A	-0.3173
37	K	A	-1.6319
38	P	A	0.0000
39	T	A	-1.5855
40	T	A	0.0000
41	I	A	-1.0251
42	I	A	0.0000
43	E	A	-2.7988
44	K	A	-3.4534
45	N	A	-2.8195
46	G	A	-2.4728
47	D	A	-2.6008
48	I	A	-1.8833
49	L	A	0.0000
50	T	A	-1.5824
51	L	A	0.0000
52	K	A	-1.6572
53	T	A	-1.3928
54	H	A	-1.6498
55	S	A	-1.0287
56	T	A	-0.4292
57	F	A	0.0027
58	K	A	-1.3413
59	N	A	-2.1959
60	T	A	-1.8940
61	E	A	-2.2466
62	I	A	-1.0826
63	S	A	-0.9421
64	F	A	0.0000
65	K	A	-1.2304
66	L	A	0.0190
67	G	A	0.2065
68	V	A	0.7741
69	E	A	-1.1746
70	F	A	-1.3855
71	D	A	-2.7922
72	E	A	-2.3843
73	T	A	-2.1840
74	T	A	-1.8549
75	A	A	-1.6270
76	D	A	-1.8750
77	D	A	-2.6090
78	R	A	-2.4353
79	K	A	-3.2279
80	V	A	0.0000
81	K	A	-2.8228
82	S	A	0.0000
83	I	A	-0.2479
84	V	A	0.0000
85	T	A	0.0782
86	L	A	-0.3495
87	D	A	-1.9283
88	G	A	-1.6406
89	G	A	-1.3186
90	K	A	-1.3043
91	L	A	0.0000
92	V	A	0.0459
93	H	A	0.0000
94	L	A	-0.2777
95	Q	A	0.0000
96	K	A	-2.6861
97	W	A	-2.5299
98	D	A	-2.9071
99	G	A	-2.1895
100	Q	A	-2.5724
101	E	A	-2.8981
102	T	A	0.0000
103	T	A	0.0250
104	L	A	0.4575
105	V	A	0.1493
106	R	A	0.0000
107	E	A	-0.6508
108	L	A	-0.1999
109	I	A	-0.0514
110	D	A	-1.6519
111	G	A	-1.7220
112	K	A	-1.7473
113	L	A	0.0000
114	I	A	-0.3290
115	L	A	0.0000
116	T	A	0.3113
117	L	A	0.0000
118	T	A	0.1829
119	H	A	-0.6822
120	G	A	-0.6654
121	T	A	-0.0461
122	A	A	-0.1220
123	V	A	0.7441
124	C	A	0.0000
125	T	A	-0.5689
126	R	A	0.0000
127	T	A	-0.6788
128	Y	A	0.0000
129	E	A	-2.6603
130	K	A	-3.4710
131	E	A	-3.0914