Project name: Esteban

Chain sequence(s)	A: PGVKPIRLFFGQQRRDVYPSALRRLLRFIAPDLVITHMEAHVNEATGRGKGCAWVIVPSVLEAKRLLRLSGRIFLDINSNGEEVYLFAPPNCREWLSEYADYVVSSTTRASHLPYLPMVVGVPKKECIYVRELLAPYIYDPNRGDCPPYADAVSEFKGLLEDHA
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]                                                (00:00:01)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:01)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:03:56)
[INFO]       Main:     Simulation completed successfully.                                          (00:03:58)

• Minimal score value: -3.3119
• Maximal score value: 1.6593
• Average score: -0.5064
• Total score value: -83.0426

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
1	P	A	-0.3020
2	G	A	-0.2440
3	V	A	0.6224
4	K	A	-1.1195
5	P	A	-0.7294
6	I	A	0.0000
7	R	A	-0.8424
8	L	A	0.0000
9	F	A	0.9076
10	F	A	0.0000
11	G	A	0.2304
12	Q	A	-0.0634
13	Q	A	-0.6733
14	R	A	-0.8747
15	R	A	-1.5535
16	D	A	-0.2443
17	V	A	1.1089
18	Y	A	1.4013
19	P	A	0.0000
20	S	A	-0.1822
21	A	A	0.0000
22	L	A	0.0000
23	R	A	-1.6466
24	R	A	-1.0528
25	L	A	0.0000
26	L	A	0.0000
27	R	A	-1.3910
28	F	A	0.8503
29	I	A	0.7170
30	A	A	-0.3471
31	P	A	-0.9261
32	D	A	-1.4486
33	L	A	0.0000
34	V	A	1.3281
35	I	A	0.5746
36	T	A	0.1783
37	H	A	-1.0657
38	M	A	-1.1582
39	E	A	-1.4782
40	A	A	-0.6087
41	H	A	-1.1134
42	V	A	-1.1661
43	N	A	-1.8922
44	E	A	-2.4585
45	A	A	-1.2253
46	T	A	-1.2349
47	G	A	-1.5490
48	R	A	-1.9809
49	G	A	0.0000
50	K	A	-2.4900
51	G	A	-1.4597
52	C	A	-0.6504
53	A	A	0.0000
54	W	A	-0.4916
55	V	A	0.0000
56	I	A	-0.1311
57	V	A	0.0000
58	P	A	0.3702
59	S	A	0.7067
60	V	A	0.8557
61	L	A	1.5222
62	E	A	0.6743
63	A	A	0.0000
64	K	A	-0.1481
65	R	A	-0.7678
66	L	A	0.0000
67	L	A	0.0000
68	R	A	-1.6785
69	L	A	0.0000
70	S	A	0.0000
71	G	A	0.0000
72	R	A	-0.5415
73	I	A	0.0000
74	F	A	0.0000
75	L	A	0.0000
76	D	A	0.0000
77	I	A	-0.3142
78	N	A	-1.3121
79	S	A	-1.0907
80	N	A	-1.7814
81	G	A	-1.3450
82	E	A	-1.3691
83	E	A	-0.6238
84	V	A	0.0000
85	Y	A	0.0000
86	L	A	0.0000
87	F	A	0.0685
88	A	A	0.0000
89	P	A	-0.4579
90	P	A	-1.3718
91	N	A	-1.4514
92	C	A	0.0000
93	R	A	-1.4088
94	E	A	-1.9444
95	W	A	-0.9358
96	L	A	0.0000
97	S	A	-1.1041
98	E	A	-2.0036
99	Y	A	-0.6576
100	A	A	0.0000
101	D	A	-1.2680
102	Y	A	0.1363
103	V	A	0.0000
104	V	A	0.1517
105	S	A	-0.0909
106	S	A	-0.1745
107	T	A	0.0771
108	T	A	-0.2193
109	R	A	-0.0059
110	A	A	-0.0348
111	S	A	-0.4001
112	H	A	-1.1237
113	L	A	0.0000
114	P	A	0.0000
115	Y	A	1.1492
116	L	A	0.8538
117	P	A	0.0000
118	M	A	0.0000
119	V	A	1.3126
120	V	A	0.0000
121	G	A	0.3852
122	V	A	-0.3603
123	P	A	0.0000
124	K	A	-2.2637
125	K	A	-2.2735
126	E	A	0.0000
127	C	A	0.3295
128	I	A	1.5803
129	Y	A	1.6593
130	V	A	0.0000
131	R	A	-0.6610
132	E	A	-0.9348
133	L	A	0.0491
134	L	A	0.0000
135	A	A	-0.2844
136	P	A	-0.1334
137	Y	A	-0.0244
138	I	A	0.6262
139	Y	A	-0.5140
140	D	A	-1.6360
141	P	A	-2.1577
142	N	A	-2.9413
143	R	A	-3.3119
144	G	A	-3.0092
145	D	A	-2.9524
146	C	A	-1.5291
147	P	A	-0.5809
148	P	A	-0.2042
149	Y	A	0.5982
150	A	A	-0.1987
151	D	A	-1.2975
152	A	A	-0.6329
153	V	A	-0.3452
154	S	A	-0.8673
155	E	A	-1.5516
156	F	A	0.0835
157	K	A	-1.3183
158	G	A	-0.4335
159	L	A	-0.1228
160	L	A	-1.2082
161	E	A	-2.4708
162	D	A	-2.9174
163	H	A	-2.3241
164	A	A	-1.2710