Project name: scan

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

Simulation log

[INFO]       Logger:   Verbosity set to: 2 - [INFO]                                                (00:00:00)
[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]       runJob:   FoldX not utilized. Treating input pdb file as it was already optimized.    (00:00:00)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:01)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:01)

• Minimal score value: -3.7112
• Maximal score value: 1.1989
• Average score: -1.0846
• Total score value: -138.831

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
14	G	A	-1.1684
15	Q	A	-1.2886
16	V	A	-0.8633
17	R	A	-2.5166
18	Q	A	-2.0277
19	R	A	-1.2408
20	Y	A	-0.4395
21	L	A	0.0000
22	Y	A	-0.6942
23	T	A	0.0000
24	D	A	-2.4437
25	D	A	-3.2595
26	A	A	0.0000
27	Q	A	-3.2139
28	Q	A	-2.8082
29	T	A	-2.3544
30	E	A	-3.3758
31	A	A	-2.4144
32	H	A	-1.4689
33	L	A	0.0000
34	E	A	-1.0979
35	I	A	0.0000
36	R	A	-2.6084
37	E	A	-3.5025
38	D	A	-2.9428
39	G	A	0.0000
40	T	A	-1.1510
41	V	A	0.0000
42	G	A	0.0000
43	G	A	-1.0596
44	A	A	-1.3412
45	A	A	-1.5614
46	D	A	-2.8078
47	Q	A	-2.3647
48	S	A	-1.5532
49	P	A	-1.1008
50	E	A	-1.4189
51	S	A	0.0000
52	L	A	-0.6624
53	L	A	0.0000
54	Q	A	-0.6928
55	L	A	-1.0094
56	K	A	-1.1753
57	A	A	-0.8931
58	L	A	-0.5118
59	K	A	-1.8034
60	P	A	-1.3151
61	G	A	-1.4783
62	V	A	0.0000
63	I	A	0.0000
64	Q	A	0.0000
65	I	A	0.0000
66	L	A	0.3351
67	G	A	0.0000
68	V	A	-0.1247
69	K	A	-1.8268
70	T	A	-1.5323
71	S	A	-0.4669
72	R	A	-0.2601
73	F	A	0.7696
74	L	A	0.0000
75	C	A	0.0000
76	Q	A	0.0000
77	R	A	-1.9482
78	P	A	-2.0235
79	D	A	-2.2463
80	G	A	0.0000
81	A	A	-0.9077
82	L	A	0.0000
83	Y	A	-0.0629
84	G	A	0.0000
85	S	A	0.2690
86	L	A	1.1989
87	H	A	0.1410
88	F	A	0.4352
89	D	A	-1.2932
90	P	A	-1.4632
91	E	A	-2.7004
92	A	A	-1.7630
93	C	A	0.0000
94	S	A	0.0000
95	F	A	0.0000
96	R	A	-2.3587
97	E	A	-1.3136
98	L	A	0.1912
99	L	A	0.9160
100	L	A	-0.3020
101	E	A	-2.0790
102	D	A	-2.3359
103	G	A	-1.1653
104	Y	A	-0.2674
105	N	A	0.0480
106	V	A	0.0000
107	Y	A	0.0000
108	Q	A	-1.3262
109	S	A	0.0000
110	E	A	-2.6314
111	A	A	-1.9894
112	H	A	-1.7784
113	G	A	-1.3756
114	L	A	-1.2158
115	P	A	-0.9706
116	L	A	0.0000
117	H	A	-0.5675
118	L	A	-0.2600
119	P	A	-0.7372
120	G	A	-1.4519
121	N	A	-1.7837
122	K	A	-3.2090
123	S	A	-2.2385
124	P	A	-2.5264
125	H	A	-2.8147
126	R	A	-3.6343
127	D	A	-3.7112
128	P	A	-2.3251
129	A	A	-1.2847
130	P	A	-1.5500
131	R	A	-2.4513
132	G	A	-1.6221
133	P	A	-1.0389
134	A	A	-1.2856
135	R	A	-1.2699
136	F	A	0.0000
137	L	A	0.2516
138	P	A	0.0546
139	L	A	0.0160
140	P	A	-0.9570
141	G	A	-1.3800