Project name: cdb2e424369c0f

Chain sequence(s)	A: KVFERCELARTLKRLGMDGYRGISLANWMCLAKWESGYNTRATNYNAGDRSTDYGIFQINSRYWCNDGKTPGAVNACHLSCSALLQDNIADAVACAKRVVRDPQGIRAWVAWRNRCQNRDVRQYVQGCGV
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                                          (00:01:09)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:09)

• Minimal score value: -4.112
• Maximal score value: 1.5163
• Average score: -0.9916
• Total score value: -128.9126

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	-1.6093
2	V	A	0.0440
3	F	A	0.0000
4	E	A	-2.1313
5	R	A	-1.9833
6	C	A	-1.4448
7	E	A	-1.6623
8	L	A	0.0000
9	A	A	0.0000
10	R	A	-1.7240
11	T	A	-1.4122
12	L	A	0.0000
13	K	A	-2.1685
14	R	A	-2.4062
15	L	A	-1.1583
16	G	A	-1.3992
17	M	A	0.0000
18	D	A	-2.0596
19	G	A	-1.7320
20	Y	A	-1.7251
21	R	A	-2.6493
22	G	A	-1.6467
23	I	A	0.0000
24	S	A	-1.2624
25	L	A	0.0000
26	A	A	-1.1483
27	N	A	-1.0947
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	-0.9626
34	W	A	-0.3267
35	E	A	-0.1694
36	S	A	-0.6644
37	G	A	-0.5995
38	Y	A	0.0000
39	N	A	-1.0173
40	T	A	0.0000
41	R	A	-2.0797
42	A	A	-1.1623
43	T	A	-0.8965
44	N	A	-0.8341
45	Y	A	-0.1417
46	N	A	-1.1720
47	A	A	-1.1062
48	G	A	-1.5477
49	D	A	-2.4559
50	R	A	-2.5205
51	S	A	0.0000
52	T	A	-1.0972
53	D	A	-0.6007
54	Y	A	-0.5059
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	-0.4156
61	S	A	0.0000
62	R	A	-0.5847
63	Y	A	1.2273
64	W	A	0.2601
65	C	A	0.0000
66	N	A	-1.3058
67	D	A	-1.8048
68	G	A	-1.9138
69	K	A	-2.6065
70	T	A	0.0000
71	P	A	-1.3349
72	G	A	-0.2974
73	A	A	0.0308
74	V	A	1.5163
75	N	A	0.1391
76	A	A	0.2076
77	C	A	-0.3839
78	H	A	-0.8126
79	L	A	-0.6957
80	S	A	-0.8168
81	C	A	0.0000
82	S	A	-0.5245
83	A	A	-0.6624
84	L	A	0.0000
85	L	A	-1.2223
86	Q	A	-2.2737
87	D	A	-2.9616
88	N	A	-2.5092
89	I	A	0.0000
90	A	A	-0.8705
91	D	A	-0.8988
92	A	A	0.0000
93	V	A	0.0000
94	A	A	-0.4334
95	C	A	0.0000
96	A	A	0.0000
97	K	A	-1.5994
98	R	A	-1.7553
99	V	A	0.0000
100	V	A	0.0000
101	R	A	-3.0777
102	D	A	-2.2916
103	P	A	-1.4862
104	Q	A	-1.6205
105	G	A	-2.1099
106	I	A	0.0000
107	R	A	-1.9216
108	A	A	-0.7346
109	W	A	0.0000
110	V	A	0.5022
111	A	A	-0.4395
112	W	A	-1.2436
113	R	A	-2.3698
114	N	A	-2.3604
115	R	A	-2.4066
116	C	A	0.0000
117	Q	A	-2.8371
118	N	A	-3.1768
119	R	A	-4.1120
120	D	A	-3.8066
121	V	A	-2.9470
122	R	A	-3.3354
123	Q	A	-2.7141
124	Y	A	-1.7698
125	V	A	-1.3692
126	Q	A	-2.1241
127	G	A	-1.1728
128	C	A	0.0000
129	G	A	-0.3994
130	V	A	-0.0523