Project name: D100V

Chain sequence(s)	D: VHLTPEEKSAVTALWGKVNVDEVGGEALGRLLVVYPWTQRFFESFGDLSTPDAVMGNPKVKAHGKKVLGAFSDGLAHLDNLKGTFATLSELHCDKLHVVPENFRLLGNVLVCVLAHHFGKEFTPPVQAAYQKVVAGVANALAHKYH
Selected Chain(s)	D
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 D 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                                          (00:03:16)
[INFO]       Main:     Simulation completed successfully.                                          (00:03:17)

• Minimal score value: -3.3931
• Maximal score value: 0.8471
• Average score: -0.9931
• Total score value: -144.999

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
2	V	D	0.5831
3	H	D	-0.6978
4	L	D	0.0000
5	T	D	-1.3295
6	P	D	-1.6823
7	E	D	-2.4221
8	E	D	-1.9474
9	K	D	-1.8315
10	S	D	-1.4144
11	A	D	-1.0105
12	V	D	0.0000
13	T	D	-0.6316
14	A	D	-0.6270
15	L	D	0.0000
16	W	D	-0.5743
17	G	D	-1.1878
18	K	D	-1.8754
19	V	D	0.0000
20	N	D	-1.8387
21	V	D	-0.6584
22	D	D	-2.4930
23	E	D	-2.8177
24	V	D	0.0000
25	G	D	0.0000
26	G	D	0.0000
27	E	D	-1.9274
28	A	D	0.0000
29	L	D	0.0000
30	G	D	0.0000
31	R	D	-0.8051
32	L	D	0.0000
33	L	D	0.0000
34	V	D	0.1093
35	V	D	0.8471
36	Y	D	0.6891
37	P	D	-0.0010
38	W	D	0.2082
39	T	D	0.0000
40	Q	D	-1.1035
41	R	D	-1.9254
42	F	D	-0.5492
43	F	D	-1.3116
44	E	D	-2.4922
45	S	D	-1.5308
46	F	D	-1.3861
47	G	D	-1.9794
48	D	D	-2.6974
49	L	D	0.0000
50	S	D	-1.1261
51	T	D	-1.0929
52	P	D	-1.1549
53	D	D	-2.1575
54	A	D	-1.6297
55	V	D	0.0000
56	M	D	-1.2845
57	G	D	-1.5447
58	N	D	0.0000
59	P	D	-1.3299
60	K	D	-1.8456
61	V	D	0.0000
62	K	D	-2.3345
63	A	D	-1.9462
64	H	D	-1.6014
65	G	D	0.0000
66	K	D	-2.4180
67	K	D	-2.1210
68	V	D	-0.7811
69	L	D	0.0000
70	G	D	-1.1651
71	A	D	-0.9243
72	F	D	0.0000
73	S	D	-0.7539
74	D	D	-1.6030
75	G	D	0.0000
76	L	D	-0.8477
77	A	D	-0.9786
78	H	D	-1.9717
79	L	D	-1.5866
80	D	D	-2.5341
81	N	D	-2.7188
82	L	D	0.0000
83	K	D	-2.4629
84	G	D	-1.8056
85	T	D	-1.4404
86	F	D	0.0000
87	A	D	-1.0867
88	T	D	-0.6243
89	L	D	-0.6184
90	S	D	0.0000
91	E	D	-2.8983
92	L	D	-1.4557
93	H	D	-1.1740
94	C	D	0.0000
95	D	D	-3.3931
96	K	D	-2.6919
97	L	D	-0.8856
98	H	D	-1.2522
99	V	D	-0.2529
100	V	D	0.5290
101	P	D	-0.8576
102	E	D	-1.9348
103	N	D	0.0000
104	F	D	0.0000
105	R	D	-2.4542
106	L	D	-1.1191
107	L	D	-0.8191
108	G	D	0.0000
109	N	D	-1.2002
110	V	D	0.0000
111	L	D	0.0000
112	V	D	0.0000
113	C	D	-0.2458
114	V	D	0.0000
115	L	D	0.0000
116	A	D	-1.2928
117	H	D	-1.5546
118	H	D	-1.9131
119	F	D	-1.9292
120	G	D	-2.3116
121	K	D	-2.9940
122	E	D	-2.8890
123	F	D	0.0000
124	T	D	-1.3746
125	P	D	-0.9376
126	P	D	-0.7415
127	V	D	-1.0090
128	Q	D	-1.0106
129	A	D	-0.6846
130	A	D	0.0000
131	Y	D	0.0000
132	Q	D	-1.2126
133	K	D	-0.7345
134	V	D	0.0000
135	V	D	0.0000
136	A	D	-0.7949
137	G	D	-0.4842
138	V	D	0.0000
139	A	D	0.0000
140	N	D	-1.5669
141	A	D	0.0000
142	L	D	-1.1906
143	A	D	0.0000
144	H	D	-2.4266
145	K	D	-2.8453
146	Y	D	-1.5664
147	H	D	-1.6275