Project name: hCA_d 1g96

Chain sequence(s)	A: VGGPMDASVEEEGVRRALDFAVGEYNKASNDMYHSRALQVVRARKQIVAGVNYFLDVELGRTTCTKTQPNLDNCPFHDQPHLKRKAFCSFQIYAVPWQGTMTLSKSTCQDA
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                                          (00:01:07)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:08)

• Minimal score value: -4.2245
• Maximal score value: 2.0968
• Average score: -0.9259
• Total score value: -102.7779

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
10	V	A	1.4906
11	G	A	0.1542
12	G	A	-0.2534
13	P	A	-0.7641
14	M	A	-0.7269
15	D	A	-2.5262
16	A	A	-2.0356
17	S	A	-2.0604
18	V	A	-1.8647
19	E	A	-3.0721
20	E	A	-3.0393
21	E	A	-3.8058
22	G	A	-2.9389
23	V	A	0.0000
24	R	A	-3.9811
25	R	A	-3.3794
26	A	A	-1.2881
27	L	A	-1.3596
28	D	A	-1.9598
29	F	A	0.2626
30	A	A	0.0131
31	V	A	-0.6799
32	G	A	-0.9123
33	E	A	-1.2237
34	Y	A	-0.4122
35	N	A	-1.4436
36	K	A	-2.4555
37	A	A	-1.3974
38	S	A	-1.5813
39	N	A	-1.9293
40	D	A	-1.9699
41	M	A	0.1921
42	Y	A	0.4608
43	H	A	-1.0811
44	S	A	-1.0124
45	R	A	-1.9151
46	A	A	-0.5697
47	L	A	0.7685
48	Q	A	-0.1926
49	V	A	0.6107
50	V	A	0.9563
51	R	A	-1.5496
52	A	A	-1.8495
53	R	A	-2.8506
54	K	A	-1.7812
55	Q	A	-0.5434
56	I	A	2.0342
57	V	A	1.8842
58	A	A	1.2229
59	G	A	0.5596
60	V	A	0.9770
61	N	A	0.9186
62	Y	A	1.8231
63	F	A	2.0968
64	L	A	1.0284
65	D	A	-0.6528
66	V	A	-0.2438
67	E	A	-1.6484
68	L	A	-0.9338
69	G	A	-1.9308
70	R	A	-2.2349
71	T	A	-1.1337
72	T	A	-0.5257
73	C	A	-0.9310
74	T	A	-1.1610
75	K	A	-2.0236
76	T	A	-1.2071
77	Q	A	-1.4681
78	P	A	-1.7103
79	N	A	-2.3958
80	L	A	-1.9565
81	D	A	-2.6507
82	N	A	-2.1607
83	C	A	0.0000
84	P	A	-0.3697
85	F	A	-0.0260
86	H	A	-2.0004
87	D	A	-3.1054
88	Q	A	-2.8515
89	P	A	-2.2837
90	H	A	-2.3164
91	L	A	-2.2104
92	K	A	-3.9660
93	R	A	-4.2245
94	K	A	-3.2833
95	A	A	-2.0010
96	F	A	-0.7579
97	C	A	0.0000
98	S	A	-0.2884
99	F	A	0.7077
100	Q	A	0.7929
101	I	A	1.6098
102	Y	A	1.2632
103	A	A	0.0000
104	V	A	0.0000
105	P	A	0.0805
106	W	A	0.3046
107	Q	A	-0.8347
108	G	A	-0.5602
109	T	A	0.0567
110	M	A	1.2739
111	T	A	1.1345
112	L	A	1.3687
113	S	A	0.2049
114	K	A	-1.0299
115	S	A	-0.3670
116	T	A	-0.4354
117	C	A	-0.4789
118	Q	A	-1.8241
119	D	A	-2.7922
120	A	A	-1.6476