Project name: D100Y

Chain sequence(s)	D: VHLTPEEKSAVTALWGKVNVDEVGGEALGRLLVVYPWTQRFFESFGDLSTPDAVMGNPKVKAHGKKVLGAFSDGLAHLDNLKGTFATLSELHCDKLHVYPENFRLLGNVLVCVLAHHFGKEFTPPVQAAYQKVVAGVANALAHKYH
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                                          (00:03:01)
[INFO]       Main:     Simulation completed successfully.                                          (00:03:02)

• Minimal score value: -3.4833
• Maximal score value: 1.0245
• Average score: -0.9872
• Total score value: -144.1297

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	0.5808
3	H	D	-0.6943
4	L	D	0.0000
5	T	D	-1.3334
6	P	D	-1.6863
7	E	D	-2.4292
8	E	D	-1.9589
9	K	D	-1.8375
10	S	D	-1.4174
11	A	D	-1.0139
12	V	D	0.0000
13	T	D	-0.6302
14	A	D	-0.6217
15	L	D	0.0000
16	W	D	-0.5713
17	G	D	-1.1849
18	K	D	-1.8744
19	V	D	0.0000
20	N	D	-1.8308
21	V	D	-0.6517
22	D	D	-2.4813
23	E	D	-2.8079
24	V	D	0.0000
25	G	D	0.0000
26	G	D	0.0000
27	E	D	-1.8003
28	A	D	0.0000
29	L	D	0.0000
30	G	D	0.0000
31	R	D	-0.3713
32	L	D	0.0000
33	L	D	0.0000
34	V	D	0.4208
35	V	D	1.0245
36	Y	D	0.7657
37	P	D	0.0671
38	W	D	0.1712
39	T	D	0.0000
40	Q	D	-1.0932
41	R	D	-1.9364
42	F	D	-0.5434
43	F	D	-1.3049
44	E	D	-2.4884
45	S	D	-1.5286
46	F	D	-1.3843
47	G	D	-1.9794
48	D	D	-2.6974
49	L	D	0.0000
50	S	D	-1.1052
51	T	D	-1.0590
52	P	D	-1.0359
53	D	D	-2.1256
54	A	D	-1.6020
55	V	D	0.0000
56	M	D	-1.1560
57	G	D	-1.5284
58	N	D	0.0000
59	P	D	-1.3254
60	K	D	-1.8424
61	V	D	0.0000
62	K	D	-2.3245
63	A	D	-1.9449
64	H	D	-1.6012
65	G	D	0.0000
66	K	D	-2.4127
67	K	D	-2.1195
68	V	D	-0.7807
69	L	D	0.0000
70	G	D	-1.1627
71	A	D	-0.9230
72	F	D	0.0000
73	S	D	-0.7624
74	D	D	-1.6199
75	G	D	0.0000
76	L	D	-0.8680
77	A	D	-1.0104
78	H	D	-2.0383
79	L	D	-1.6185
80	D	D	-2.5548
81	N	D	-2.7409
82	L	D	0.0000
83	K	D	-2.4925
84	G	D	-1.8135
85	T	D	-1.4532
86	F	D	0.0000
87	A	D	-1.1477
88	T	D	-0.6872
89	L	D	-0.6792
90	S	D	0.0000
91	E	D	-3.0959
92	L	D	-1.5468
93	H	D	-1.2483
94	C	D	0.0000
95	D	D	-3.4833
96	K	D	-2.7255
97	L	D	-0.9089
98	H	D	-1.2827
99	V	D	-0.2006
100	Y	D	0.6299
101	P	D	-0.6723
102	E	D	-1.4828
103	N	D	0.0000
104	F	D	0.0000
105	R	D	-2.3157
106	L	D	-1.0564
107	L	D	-0.7182
108	G	D	0.0000
109	N	D	-1.0771
110	V	D	0.0000
111	L	D	0.0000
112	V	D	0.0000
113	C	D	-0.3123
114	V	D	0.0000
115	L	D	0.0000
116	A	D	-1.2868
117	H	D	-1.6036
118	H	D	-1.8905
119	F	D	-1.8077
120	G	D	-2.1840
121	K	D	-2.7933
122	E	D	-2.4695
123	F	D	0.0000
124	T	D	-1.2435
125	P	D	-0.8886
126	P	D	-0.7458
127	V	D	-0.9483
128	Q	D	-0.9839
129	A	D	-0.6812
130	A	D	0.0000
131	Y	D	0.0000
132	Q	D	-1.1498
133	K	D	-0.6928
134	V	D	0.0000
135	V	D	0.0000
136	A	D	-0.7681
137	G	D	-0.5035
138	V	D	0.0000
139	A	D	-1.3700
140	N	D	-1.6557
141	A	D	0.0000
142	L	D	-1.2809
143	A	D	0.0000
144	H	D	-2.5641
145	K	D	-3.0670
146	Y	D	-1.6957
147	H	D	-1.7003