Project name: 6m6e

Chain sequence(s)	A: GQVRQRYLYTDDAQQTEAHLEIREDGTVGGAADQSPESLLQLKALKPGVIQILGVKTSRFLCQRPDGALYGSLHFDPEACSFRELLLEDGYNVYQSEAHGLPLHLPGNKSPHRDPAPRGPARFLPLPG
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                                          (00:01:13)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:14)

• Minimal score value: -4.0304
• Maximal score value: 1.2331
• Average score: -1.1854
• Total score value: -151.7281

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	-1.2402
15	Q	A	-1.4114
16	V	A	-1.1182
17	R	A	-2.6453
18	Q	A	-2.1147
19	R	A	-1.2143
20	Y	A	-0.3738
21	L	A	0.0000
22	Y	A	-0.8208
23	T	A	0.0000
24	D	A	-2.5088
25	D	A	-3.3046
26	A	A	-2.9652
27	Q	A	-3.1823
28	Q	A	-2.7903
29	T	A	-2.3642
30	E	A	-3.3533
31	A	A	-2.4214
32	H	A	-1.4964
33	L	A	0.0000
34	E	A	-1.4401
35	I	A	0.0000
36	R	A	-3.7318
37	E	A	-4.0304
38	D	A	-3.3148
39	G	A	0.0000
40	T	A	-1.5980
41	V	A	0.0000
42	G	A	-0.8706
43	G	A	-1.3950
44	A	A	-1.3830
45	A	A	-1.5241
46	D	A	-2.6328
47	Q	A	-1.9796
48	S	A	-1.3564
49	P	A	-0.9775
50	E	A	-1.6289
51	S	A	0.0000
52	L	A	-0.6279
53	L	A	0.0000
54	Q	A	-0.8710
55	L	A	-1.1030
56	K	A	-1.1641
57	A	A	-0.9810
58	L	A	-0.6549
59	K	A	-1.9073
60	P	A	-1.4032
61	G	A	-1.6912
62	V	A	-1.7275
63	I	A	0.0000
64	Q	A	0.0000
65	I	A	0.0000
66	L	A	0.2580
67	G	A	0.0000
68	V	A	-0.3089
69	K	A	-2.0219
70	T	A	-1.7960
71	S	A	-0.5548
72	R	A	-0.4262
73	F	A	0.7378
74	L	A	0.0000
75	C	A	0.0000
76	Q	A	0.0000
77	R	A	-2.4515
78	P	A	-2.2589
79	D	A	-2.4089
80	G	A	0.0000
81	A	A	-1.1623
82	L	A	0.0000
83	Y	A	-0.4082
84	G	A	0.0000
85	S	A	0.2880
86	L	A	1.2331
87	H	A	0.2167
88	F	A	0.5996
89	D	A	-0.9816
90	P	A	-1.3332
91	E	A	-2.7269
92	A	A	-1.8682
93	C	A	0.0000
94	S	A	0.0000
95	F	A	0.0000
96	R	A	-2.7193
97	E	A	-1.0925
98	L	A	0.2077
99	L	A	1.0265
100	L	A	-0.1597
101	E	A	-2.0338
102	D	A	-2.3365
103	G	A	-1.2619
104	Y	A	-0.5200
105	N	A	-0.0480
106	V	A	0.0000
107	Y	A	0.0000
108	Q	A	-1.5524
109	S	A	0.0000
110	E	A	-3.1666
111	A	A	-2.2630
112	H	A	-1.9312
113	G	A	-1.6363
114	L	A	-1.3082
115	P	A	-0.9602
116	L	A	0.0000
117	H	A	-0.7020
118	L	A	-0.5809
119	P	A	-1.0414
120	G	A	-1.8063
121	N	A	-2.4240
122	K	A	-3.5148
123	S	A	-2.4323
124	P	A	-2.6247
125	H	A	-2.8144
126	R	A	-3.6336
127	D	A	-3.6052
128	P	A	-2.1431
129	A	A	-1.0530
130	P	A	-1.0974
131	R	A	-1.5265
132	G	A	-1.2247
133	P	A	-0.9562
134	A	A	0.0000
135	R	A	-1.7482
136	F	A	0.0000
137	L	A	-0.0609
138	P	A	-0.0780
139	L	A	0.0349
140	P	A	-0.8987
141	G	A	-1.3477