Project name: 1b5u_V

Chain sequence(s)	A: KVFERCELARTLKRLGMDGYRGIALANWMCLAKWESGYNTRATNYNAGDRSTDYGIFQINSRYWCNDGKTPGAVNACHLSCSALLQDNIADAVACAKRVVRDPQGIRAWVAWRNRCQNRDVRQYVQGCGV
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                                          (00:02:25)
[INFO]       Movie:    Creting movie with webm format                                              (00:04:29)
[INFO]       Main:     Simulation completed successfully.                                          (00:04:32)

• Minimal score value: -4.3548
• Maximal score value: 1.4784
• Average score: -1.116
• Total score value: -145.0852

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	K	A	-2.5170
2	V	A	-0.3300
3	F	A	0.0000
4	E	A	-2.1175
5	R	A	-1.7738
6	C	A	-1.3182
7	E	A	-1.6728
8	L	A	0.0000
9	A	A	0.0000
10	R	A	-1.6269
11	T	A	-1.4364
12	L	A	0.0000
13	K	A	-2.2621
14	R	A	-2.4311
15	L	A	-1.1267
16	G	A	-1.4875
17	M	A	0.0000
18	D	A	-2.0764
19	G	A	-1.7837
20	Y	A	-1.7689
21	R	A	-2.6364
22	G	A	-1.6214
23	I	A	0.0000
24	A	A	-0.9657
25	L	A	0.0000
26	A	A	-1.0442
27	N	A	-1.0923
28	W	A	0.0000
29	M	A	0.0000
30	C	A	0.0000
31	L	A	0.0000
32	A	A	0.0000
33	K	A	-1.1674
34	W	A	-0.4861
35	E	A	-0.4115
36	S	A	-0.7768
37	G	A	-0.7181
38	Y	A	0.0000
39	N	A	-1.4712
40	T	A	0.0000
41	R	A	-2.5958
42	A	A	-1.3843
43	T	A	-0.9670
44	N	A	-0.8171
45	Y	A	-0.2088
46	N	A	-1.2907
47	A	A	-1.2273
48	G	A	-1.6058
49	D	A	-2.5102
50	R	A	-2.8507
51	S	A	0.0000
52	T	A	-1.0490
53	D	A	-0.5766
54	Y	A	-0.5727
55	G	A	0.0000
56	I	A	0.0000
57	F	A	0.0000
58	Q	A	0.0000
59	I	A	0.0000
60	N	A	-0.3175
61	S	A	0.0000
62	R	A	-0.3975
63	Y	A	1.4784
64	W	A	0.3115
65	C	A	0.0000
66	N	A	-1.6575
67	D	A	-1.7074
68	G	A	-1.8506
69	K	A	-2.6679
70	T	A	-1.8964
71	P	A	-1.3031
72	G	A	-0.2592
73	A	A	0.1898
74	V	A	1.4305
75	N	A	0.0578
76	A	A	0.0880
77	C	A	-0.5455
78	H	A	-0.9419
79	L	A	-0.8698
80	S	A	-0.9516
81	C	A	0.0000
82	S	A	-0.8173
83	A	A	-1.0901
84	L	A	0.0000
85	L	A	-2.0985
86	Q	A	-3.2399
87	D	A	-3.6050
88	N	A	-2.9169
89	I	A	0.0000
90	A	A	-1.1046
91	D	A	-1.3616
92	A	A	0.0000
93	V	A	0.0000
94	A	A	-0.6362
95	C	A	0.0000
96	A	A	0.0000
97	K	A	-1.7884
98	R	A	-2.0325
99	V	A	0.0000
100	V	A	0.0000
101	R	A	-3.2982
102	D	A	-2.6518
103	P	A	-1.6643
104	Q	A	-1.7842
105	G	A	-2.1898
106	I	A	-1.6011
107	R	A	-2.1069
108	A	A	-0.8512
109	W	A	0.0000
110	V	A	0.2956
111	A	A	-0.7506
112	W	A	0.0000
113	R	A	-3.1514
114	N	A	-2.9362
115	R	A	-2.9121
116	C	A	0.0000
117	Q	A	-3.7064
118	N	A	-3.5031
119	R	A	-4.3548
120	D	A	-3.7616
121	V	A	-3.0061
122	R	A	-3.3732
123	Q	A	-2.6967
124	Y	A	-1.7024
125	V	A	-1.2864
126	Q	A	-2.0782
127	G	A	-1.3059
128	C	A	0.0000
129	G	A	-0.4159
130	V	A	-0.0153