Project name: alphaA

Chain sequence(s)	A: MDVTIQHPWFKRTLGPFYPSRLFDQFFGEGLFEYDLLPFLSSTISPYYRQSLFRTVLDSGISEVRSDRDKFVIFLDVKHFSPEDLTVKVQDDFVEIHGKHNERQDDHGYISREFHRRYRLPSNVDQSALSCSLSADGMLTFCGPKIQTGLDATHAERAIPVSREEK
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]                                                (00:00:02)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:02)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:02)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:02)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:02)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:03:08)
[INFO]       Main:     Simulation completed successfully.                                          (00:03:08)

• Minimal score value: -3.8697
• Maximal score value: 1.4075
• Average score: -1.4047
• Total score value: -148.902

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
61	I	A	1.4075
62	S	A	-0.0851
63	E	A	-1.5952
64	V	A	-0.7141
65	R	A	-1.8308
66	S	A	-2.1387
67	D	A	-3.4212
68	R	A	-3.3811
69	D	A	-3.1467
70	K	A	-2.4255
71	F	A	-1.4515
72	V	A	0.0000
73	I	A	0.0000
74	F	A	0.0000
75	L	A	0.0000
76	D	A	-1.5257
77	V	A	0.0000
78	K	A	-2.3468
79	H	A	-2.1198
80	F	A	0.0000
81	S	A	-1.2725
82	P	A	0.0000
83	E	A	-2.4043
84	D	A	-2.2472
85	L	A	0.0000
86	T	A	-0.9528
87	V	A	0.0000
88	K	A	-1.6077
89	V	A	0.0000
90	Q	A	-3.1257
91	D	A	-3.3774
92	D	A	-3.5694
93	F	A	-2.8267
94	V	A	0.0000
95	E	A	0.0000
96	I	A	0.0000
97	H	A	-1.8094
98	G	A	0.0000
99	K	A	-3.8241
100	H	A	-3.2746
101	N	A	-2.9575
102	E	A	-2.3468
103	R	A	-2.6180
104	Q	A	-2.8527
105	D	A	-3.0591
106	D	A	-3.2012
107	H	A	-2.3103
108	G	A	-1.4416
109	Y	A	-0.4577
110	I	A	-0.6990
111	S	A	-2.3121
112	R	A	-3.5562
113	E	A	-3.8697
114	F	A	-2.0736
115	H	A	-2.1032
116	R	A	-1.7528
117	R	A	-2.5628
118	Y	A	-1.7217
119	R	A	-2.7213
120	L	A	0.0000
121	P	A	-1.3198
122	S	A	-1.2908
123	N	A	-1.0730
124	V	A	0.0000
125	D	A	-0.9269
126	Q	A	0.0000
127	S	A	-0.8597
128	A	A	-0.3621
129	L	A	0.0000
130	S	A	-0.8101
131	C	A	0.0000
132	S	A	0.0000
133	L	A	-1.6753
134	S	A	-1.6029
135	A	A	-1.2192
136	D	A	-2.2349
137	G	A	-1.6209
138	M	A	-1.4257
139	L	A	0.0000
140	T	A	0.0000
141	F	A	0.0000
142	C	A	0.0000
143	G	A	0.0000
144	P	A	-0.8180
145	K	A	0.0000
146	I	A	0.2768
147	Q	A	-1.0394
148	T	A	-1.5144
149	G	A	-0.4813
150	L	A	-0.0409
151	D	A	-1.4530
152	A	A	-0.9545
153	T	A	-0.7927
154	H	A	-1.4604
155	A	A	-1.9999
156	E	A	-3.2570
157	R	A	-2.0686
158	A	A	-1.0801
159	I	A	0.0000
160	P	A	-0.6530
161	V	A	-0.9191
162	S	A	-1.6338
163	R	A	-3.1449
164	E	A	-2.9793
165	E	A	-3.6137
166	K	A	-3.1697