Project name: fe24f3f3b27306e

Chain sequence(s)	R: SLSCRKEQGKFYDHLLRDCISCASICGQHPKQCAYFCE
Selected Chain(s)	R
Distance of aggregation	10 Å
FoldX usage	No
Dynamic mode	No
Automated mutations	No

Simulation log

[INFO]       Logger:   Verbosity set to: 2 - [INFO]                                                (00:00:08)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:08)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with R chain(s) selected             (00:00:08)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:08)
[INFO]       runJob:   FoldX not utilized. Treating input pdb file as it was already optimized.    (00:00:08)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:09)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:09)

• Minimal score value: -3.4688
• Maximal score value: 1.2073
• Average score: -0.8177
• Total score value: -31.0715

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
68	S	R	0.4886
69	L	R	1.2073
70	S	R	-0.2547
71	C	R	-1.5420
72	R	R	-3.4688
73	K	R	-3.4664
74	E	R	-2.9011
75	Q	R	-2.8104
76	G	R	0.0000
77	K	R	-2.4733
78	F	R	0.0000
79	Y	R	-0.8211
80	D	R	-0.6160
81	H	R	-0.7195
82	L	R	0.9838
83	L	R	0.6461
84	R	R	-1.6956
85	D	R	-1.8481
86	C	R	-0.8707
87	I	R	-0.4026
88	S	R	-0.8620
89	C	R	0.0000
90	A	R	0.2883
91	S	R	-0.1134
92	I	R	0.1095
93	C	R	-0.0818
94	G	R	-1.0164
95	Q	R	-1.4585
96	H	R	-1.2892
97	P	R	-1.4557
98	K	R	-2.1357
99	Q	R	-1.8569
100	C	R	0.0000
101	A	R	-0.5860
102	Y	R	0.4426
103	F	R	0.5314
104	C	R	-0.0225
105	E	R	-1.0007