Project name: 1JSF

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                                          (00:01:20)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:20)

• Minimal score value: -4.2703
• Maximal score value: 1.7107
• Average score: -1.0046
• Total score value: -130.5952

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	-1.8868
2	V	A	-0.0779
3	F	A	0.0000
4	E	A	-2.1449
5	R	A	-2.1281
6	C	A	-1.7897
7	E	A	-2.0726
8	L	A	0.0000
9	A	A	0.0000
10	R	A	-2.8369
11	T	A	0.0000
12	L	A	0.0000
13	K	A	-2.6934
14	R	A	-2.7523
15	L	A	-1.3861
16	G	A	-1.4331
17	M	A	0.0000
18	D	A	-2.2738
19	G	A	-1.7832
20	Y	A	-1.7378
21	R	A	-2.7644
22	G	A	-1.6670
23	I	A	0.0000
24	S	A	-1.3033
25	L	A	0.0000
26	A	A	0.0000
27	N	A	-1.2284
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	-1.2179
34	W	A	-0.5747
35	E	A	-0.5377
36	S	A	-0.7357
37	G	A	-0.7550
38	Y	A	0.0000
39	N	A	-1.2412
40	T	A	0.0000
41	R	A	-2.3055
42	A	A	-1.2089
43	T	A	-0.7319
44	N	A	-0.3616
45	Y	A	0.0586
46	N	A	-1.1042
47	A	A	-1.1604
48	G	A	-1.6305
49	D	A	-2.6132
50	R	A	-2.9192
51	S	A	0.0000
52	T	A	0.0000
53	D	A	-0.3853
54	Y	A	0.0000
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	-0.1310
61	S	A	0.0000
62	R	A	-0.2878
63	Y	A	1.6190
64	W	A	0.4869
65	C	A	0.0000
66	N	A	-1.0528
67	D	A	-1.5725
68	G	A	-1.7717
69	K	A	-2.5560
70	T	A	0.0000
71	P	A	-1.4180
72	G	A	-0.5664
73	A	A	0.2933
74	V	A	1.7107
75	N	A	0.3391
76	A	A	0.2829
77	C	A	-0.3944
78	H	A	-0.7888
79	L	A	-0.6441
80	S	A	-0.7753
81	C	A	0.0000
82	S	A	-0.6258
83	A	A	-0.7963
84	L	A	0.0000
85	L	A	-1.6634
86	Q	A	-2.4767
87	D	A	-3.1302
88	N	A	-2.5889
89	I	A	0.0000
90	A	A	-0.8472
91	D	A	-0.8983
92	A	A	0.0000
93	V	A	0.0000
94	A	A	-0.5004
95	C	A	0.0000
96	A	A	0.0000
97	K	A	-1.7595
98	R	A	-2.1007
99	V	A	0.0000
100	V	A	0.0000
101	R	A	-3.2843
102	D	A	-2.7105
103	P	A	-1.5496
104	Q	A	-1.5292
105	G	A	-2.0643
106	I	A	0.0000
107	R	A	-1.7451
108	A	A	-0.6551
109	W	A	0.0000
110	V	A	0.3376
111	A	A	-0.7303
112	W	A	-1.6090
113	R	A	-2.8977
114	N	A	-2.7547
115	R	A	-2.7108
116	C	A	0.0000
117	Q	A	-3.2531
118	N	A	-3.3894
119	R	A	-4.2703
120	D	A	-3.7457
121	V	A	-3.0874
122	R	A	-3.4302
123	Q	A	-2.8317
124	Y	A	0.0000
125	V	A	0.0000
126	Q	A	-2.2599
127	G	A	-1.2418
128	C	A	0.0000
129	G	A	-0.7160
130	V	A	-0.4684