Project name: 1JSF

Chain sequence(s)	A: KVFERCELARTLKRLGMDGYRGISLANWMCLAKWESGYNTRATNYNAGDRSTDYGIFQINSRYWCNDGKTPGAVNACHLSCSALLQDNIADAVACAKRVVRDPQGIRAWVAWRNRCQNRDVRQYVQGCGV
Selected Chain(s)	A
Distance of aggregation	5 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                                          (00:01:25)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:26)

• Minimal score value: -2.4095
• Maximal score value: 1.8718
• Average score: -0.4057
• Total score value: -52.7378

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	-1.2099
2	V	A	1.4392
3	F	A	0.0000
4	E	A	-1.8994
5	R	A	-0.7531
6	C	A	-0.1183
7	E	A	-0.6405
8	L	A	0.0000
9	A	A	0.0000
10	R	A	-1.8441
11	T	A	0.0000
12	L	A	0.0000
13	K	A	-1.3210
14	R	A	-1.9462
15	L	A	0.0124
16	G	A	-0.2852
17	M	A	0.0000
18	D	A	-1.2186
19	G	A	-0.6691
20	Y	A	-0.1703
21	R	A	-1.8860
22	G	A	-0.8640
23	I	A	0.0000
24	S	A	-0.1470
25	L	A	0.0000
26	A	A	-0.0381
27	N	A	-0.2393
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	-0.7266
34	W	A	0.2851
35	E	A	-0.2762
36	S	A	-0.1568
37	G	A	-0.4451
38	Y	A	0.0000
39	N	A	-0.1077
40	T	A	0.0000
41	R	A	-1.8425
42	A	A	-0.3410
43	T	A	-0.2217
44	N	A	-0.6175
45	Y	A	1.0860
46	N	A	-0.1440
47	A	A	-0.1007
48	G	A	-0.7219
49	D	A	-1.8548
50	R	A	-2.0896
51	S	A	0.0000
52	T	A	0.1346
53	D	A	-0.2460
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	-0.2305
61	S	A	0.0000
62	R	A	0.0067
63	Y	A	1.4786
64	W	A	0.3655
65	C	A	0.0000
66	N	A	-0.8045
67	D	A	-0.5738
68	G	A	-0.8456
69	K	A	-1.7860
70	T	A	0.0000
71	P	A	-0.2675
72	G	A	-0.4951
73	A	A	0.2363
74	V	A	1.8718
75	N	A	0.1272
76	A	A	0.0028
77	C	A	-0.0820
78	H	A	-0.9208
79	L	A	0.0541
80	S	A	-0.1941
81	C	A	0.0000
82	S	A	-0.2115
83	A	A	-0.0319
84	L	A	0.0000
85	L	A	0.1473
86	Q	A	-0.9047
87	D	A	-2.1388
88	N	A	-1.6027
89	I	A	0.0000
90	A	A	-0.1067
91	D	A	-0.7406
92	A	A	0.0000
93	V	A	0.0000
94	A	A	0.0582
95	C	A	0.0000
96	A	A	0.0000
97	K	A	-0.4713
98	R	A	-1.0809
99	V	A	0.0000
100	V	A	0.0000
101	R	A	-1.9313
102	D	A	-1.2568
103	P	A	-0.5340
104	Q	A	-0.7075
105	G	A	-0.1778
106	I	A	0.0000
107	R	A	-1.6230
108	A	A	-0.2765
109	W	A	0.0000
110	V	A	1.7746
111	A	A	0.3579
112	W	A	-0.1441
113	R	A	-1.7199
114	N	A	-1.7419
115	R	A	-1.3069
116	C	A	0.0000
117	Q	A	-0.7809
118	N	A	-1.6888
119	R	A	-2.4095
120	D	A	-2.0957
121	V	A	-0.4862
122	R	A	-2.0307
123	Q	A	-1.5051
124	Y	A	-0.0196
125	V	A	0.0435
126	Q	A	-1.1933
127	G	A	-0.6803
128	C	A	0.0000
129	G	A	-0.2673
130	V	A	0.9887