Project name: chonkNTP

Chain sequence(s)	B: FDPPTFPALGTFSRYESTRSGRRMELSMGPIQANHTGTGLLLTLQPEQKFQKVKG
Selected Chain(s)	B
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 B 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                                          (00:00:26)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:27)

• Minimal score value: -3.9824
• Maximal score value: 3.0145
• Average score: -0.4732
• Total score value: -26.0237

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
65	F	B	1.0426
66	D	B	-1.0430
67	P	B	-0.6511
68	P	B	-0.1968
69	T	B	0.4103
70	F	B	2.2236
71	P	B	1.6426
72	A	B	1.3203
73	L	B	2.0018
74	G	B	0.9258
75	T	B	1.6795
76	F	B	2.0567
77	S	B	0.6504
78	R	B	-1.2400
79	Y	B	-0.9935
80	E	B	-2.0878
81	S	B	-2.3603
82	T	B	-2.4717
83	R	B	-2.8122
84	S	B	-2.0685
85	G	B	-2.5218
86	R	B	-3.9824
87	R	B	-3.5056
88	M	B	-1.7347
89	E	B	-2.6021
90	L	B	-0.4589
91	S	B	-0.0289
92	M	B	1.0218
93	G	B	0.6562
94	P	B	0.9969
95	I	B	1.5226
96	Q	B	-0.8689
97	A	B	-0.9165
98	N	B	-1.8816
99	H	B	-1.9906
100	T	B	-1.0725
101	G	B	-0.7427
102	T	B	-0.1103
103	G	B	0.7131
104	L	B	2.3630
105	L	B	3.0145
106	L	B	2.8305
107	T	B	1.6844
108	L	B	1.1919
109	Q	B	-1.4279
110	P	B	-1.9937
111	E	B	-2.9053
112	Q	B	-2.8775
113	K	B	-2.4744
114	F	B	-0.2971
115	Q	B	-1.2425
116	K	B	-1.6942
117	V	B	-0.2666
118	K	B	-1.4456
119	G	B	-1.0050