Project name: query_structure

Chain sequence(s)	A: CVATRNSCKPPAPACCDPCASCYCRFFRSACYCRVLSLNC
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                                          (00:00:16)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:16)

• Minimal score value: -2.3898
• Maximal score value: 1.5667
• Average score: -0.1604
• Total score value: -6.4149

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	0.9576
94	V	A	0.2236
95	A	A	-0.2885
96	T	A	-1.0383
97	R	A	-2.3898
98	N	A	-2.1196
99	S	A	-1.1814
100	C	A	-1.0329
101	K	A	-1.6576
102	P	A	-0.9870
103	P	A	-0.8148
104	A	A	-0.5694
105	P	A	-0.4339
106	A	A	-0.5731
107	C	A	0.0000
108	C	A	0.1799
109	D	A	-0.8955
110	P	A	-0.5928
111	C	A	0.1106
112	A	A	0.1689
113	S	A	-0.0224
114	C	A	-0.4128
115	Y	A	0.9504
116	C	A	0.2708
117	R	A	-0.3024
118	F	A	1.5370
119	F	A	1.5667
120	R	A	-0.5705
121	S	A	-0.0053
122	A	A	-0.2638
123	C	A	-0.1060
124	Y	A	-0.9856
125	C	A	0.0000
126	R	A	-0.3173
127	V	A	1.0371
128	L	A	1.2211
129	S	A	1.0069
130	L	A	1.3724
131	N	A	-0.0289
132	C	A	0.5717