Project name: query_structure

Chain sequence(s)	A: CVATRNSCKPAAAACCDPCASCYCRFFRSACYCRVLSLNC
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                                          (00:00:13)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:13)

• Minimal score value: -2.5028
• Maximal score value: 1.7182
• Average score: -0.1163
• Total score value: -4.6517

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
93	C	A	0.7202
94	V	A	0.0000
95	A	A	-0.4669
96	T	A	-1.3232
97	R	A	-2.5028
98	N	A	-2.1450
99	S	A	-1.2501
100	C	A	0.0000
101	K	A	-1.3544
102	P	A	-0.5976
103	A	A	-0.4251
104	A	A	-0.0293
105	A	A	0.2389
106	A	A	0.0016
107	C	A	-0.3302
108	C	A	0.5298
109	D	A	-0.0126
110	P	A	-0.0063
111	C	A	0.5467
112	A	A	0.5229
113	S	A	0.2151
114	C	A	0.2076
115	Y	A	-0.1265
116	C	A	-0.4706
117	R	A	-0.6374
118	F	A	1.4459
119	F	A	1.4119
120	R	A	-0.7912
121	S	A	-0.4831
122	A	A	-0.4128
123	C	A	-0.8383
124	Y	A	-1.5069
125	C	A	0.0000
126	R	A	-0.7651
127	V	A	0.7316
128	L	A	1.7182
129	S	A	1.1113
130	L	A	1.5152
131	N	A	0.1024
132	C	A	0.8044