Project name: 2HBS-D

Chain sequence(s)	D: VHLTPVEKSAVTALWGKVNVDEVGGEALGRLLVVYPWTQRFFESFGDLSTPDAVMGNPKVKAHGKKVLGAFSDGLAHLDNLKGTFATLSELHCDKLHVDPENFRLLGNVLVCVLAHHFGKEFTPPVQAAYQKVVAGVANALAHKYH
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]                                                (00:00:02)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:02)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with D chain(s) selected             (00:00:02)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:02)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:02)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:03:46)
[INFO]       Main:     Simulation completed successfully.                                          (00:03:47)

• Minimal score value: -3.6044
• Maximal score value: 1.3989
• Average score: -1.0198
• Total score value: -148.8913

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	D	0.8507
2	H	D	-0.5983
3	L	D	0.0000
4	T	D	-0.1030
5	P	D	0.1698
6	V	D	1.2617
7	E	D	-0.2003
8	K	D	-0.7244
9	S	D	0.0513
10	A	D	0.0659
11	V	D	0.0000
12	T	D	-0.4999
13	A	D	-0.4546
14	L	D	-0.7136
15	W	D	0.0000
16	G	D	-1.3074
17	K	D	-1.9545
18	V	D	-1.7319
19	N	D	-2.3692
20	V	D	-2.2921
21	D	D	-3.6044
22	E	D	-3.4281
23	V	D	0.0000
24	G	D	0.0000
25	G	D	-2.8389
26	E	D	-2.4267
27	A	D	0.0000
28	L	D	0.0000
29	G	D	0.0000
30	R	D	-0.7339
31	L	D	0.0000
32	L	D	0.0000
33	V	D	0.4368
34	V	D	1.3989
35	Y	D	1.0867
36	P	D	0.1825
37	W	D	0.2197
38	T	D	0.0000
39	Q	D	-1.1625
40	R	D	-2.0570
41	F	D	-0.7640
42	F	D	-1.5523
43	E	D	-2.5718
44	S	D	-1.6841
45	F	D	-1.5010
46	G	D	-2.0262
47	D	D	-2.5561
48	L	D	0.0000
49	S	D	-1.1317
50	T	D	-1.0641
51	P	D	-1.0436
52	D	D	-2.1268
53	A	D	-1.6053
54	V	D	0.0000
55	M	D	-1.5036
56	G	D	-1.6943
57	N	D	0.0000
58	P	D	-1.5905
59	K	D	-2.3541
60	V	D	0.0000
61	K	D	-3.0768
62	A	D	-2.3632
63	H	D	-2.0144
64	G	D	0.0000
65	K	D	-3.1628
66	K	D	-2.3483
67	V	D	-0.6532
68	L	D	0.0000
69	G	D	-1.4816
70	A	D	-1.0083
71	F	D	0.0000
72	S	D	-1.1671
73	D	D	-2.0085
74	G	D	0.0000
75	L	D	0.0000
76	A	D	-1.4284
77	H	D	-2.3192
78	L	D	-2.0286
79	D	D	-2.9464
80	N	D	-3.0636
81	L	D	0.0000
82	K	D	-2.9401
83	G	D	-2.0647
84	T	D	-1.6886
85	F	D	0.0000
86	A	D	-0.9882
87	T	D	-0.4048
88	L	D	-0.1163
89	S	D	0.0000
90	E	D	-1.7979
91	L	D	-0.8738
92	H	D	-1.1972
93	C	D	-2.1012
94	D	D	-2.8831
95	K	D	-2.4311
96	L	D	-1.1488
97	H	D	-1.8681
98	V	D	-1.4966
99	D	D	-2.0627
100	P	D	-1.7529
101	E	D	-2.0866
102	N	D	0.0000
103	F	D	-0.9658
104	R	D	-1.5251
105	L	D	-0.4314
106	L	D	-0.3711
107	G	D	0.0000
108	N	D	-1.0031
109	V	D	0.0000
110	L	D	0.0000
111	V	D	0.0000
112	C	D	-0.1630
113	V	D	0.0000
114	L	D	0.0000
115	A	D	-1.2760
116	H	D	-1.6916
117	H	D	-1.6438
118	F	D	-1.8211
119	G	D	-2.2598
120	K	D	-2.9783
121	E	D	-2.9679
122	F	D	0.0000
123	T	D	-1.3998
124	P	D	-0.9688
125	P	D	-0.4003
126	V	D	-0.5842
127	Q	D	-1.1886
128	A	D	-0.8131
129	A	D	0.0000
130	Y	D	0.0000
131	Q	D	-1.3653
132	K	D	-0.8496
133	V	D	0.0000
134	V	D	0.0000
135	A	D	-0.5155
136	G	D	0.0000
137	V	D	0.0000
138	A	D	0.0000
139	N	D	-1.3648
140	A	D	0.0000
141	L	D	-0.8476
142	A	D	-1.5435
143	H	D	-1.9461
144	K	D	-1.8667
145	Y	D	-1.4407
146	H	D	-1.4794