Project name: e7fa539cbf7a003

Chain sequence(s)	A: KIPGVKPIRLFFGQQRRDVYPSALRRLLRFIAPDLVITHMEAHVNEATGRGKGCAWVIVPSVLEAKRLLRLSGRIFLDINSNGEEVYLFAPPNCREWLSEYADYVVSSTTRASHLPYLPMVVGVPKKECIYVRELLAPYIYDPNRGDCPPYADAVSEFKGLLEDHAS
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                                          (00:02:12)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:13)

• Minimal score value: -3.6171
• Maximal score value: 1.452
• Average score: -0.6857
• Total score value: -114.5097

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	K	A	-0.9345
2	I	A	-0.0109
3	P	A	-0.5417
4	G	A	-0.7713
5	V	A	-0.7517
6	K	A	-1.6356
7	P	A	-1.2886
8	I	A	0.0000
9	R	A	-0.9959
10	L	A	0.0000
11	F	A	0.6060
12	F	A	0.0000
13	G	A	0.0000
14	Q	A	0.0322
15	Q	A	-0.5493
16	R	A	0.0000
17	R	A	-2.2621
18	D	A	-0.9243
19	V	A	-0.0310
20	Y	A	0.6250
21	P	A	-0.7156
22	S	A	-0.9809
23	A	A	0.0000
24	L	A	0.0000
25	R	A	-2.9619
26	R	A	-2.8361
27	L	A	0.0000
28	L	A	0.0000
29	R	A	-2.2143
30	F	A	0.0109
31	I	A	0.2502
32	A	A	-0.6821
33	P	A	-1.2665
34	D	A	-1.6100
35	L	A	0.0000
36	V	A	0.5934
37	I	A	0.2847
38	T	A	0.0519
39	H	A	-1.1862
40	M	A	-1.2845
41	E	A	-1.6417
42	A	A	-0.9158
43	H	A	-1.2984
44	V	A	-1.4891
45	N	A	-2.2576
46	E	A	-2.4905
47	A	A	-1.3131
48	T	A	-1.3733
49	G	A	-1.8905
50	R	A	-2.6934
51	G	A	0.0000
52	K	A	-2.4848
53	G	A	-1.6913
54	C	A	-0.6457
55	A	A	0.0000
56	W	A	-0.5002
57	V	A	0.0000
58	I	A	-0.0759
59	V	A	0.0000
60	P	A	-0.3771
61	S	A	0.0000
62	V	A	0.0000
63	L	A	0.4571
64	E	A	0.0000
65	A	A	0.0000
66	K	A	-0.5347
67	R	A	-1.1511
68	L	A	0.0000
69	L	A	0.0000
70	R	A	-1.7534
71	L	A	-0.6035
72	S	A	0.0000
73	G	A	-0.1524
74	R	A	-0.4047
75	I	A	0.0000
76	F	A	0.0000
77	L	A	0.0000
78	D	A	0.0000
79	I	A	-0.1160
80	N	A	-1.2109
81	S	A	-1.0988
82	N	A	-1.7952
83	G	A	-1.3891
84	E	A	-1.6177
85	E	A	-0.9981
86	V	A	0.0000
87	Y	A	0.0000
88	L	A	-0.4210
89	F	A	0.0364
90	A	A	0.0000
91	P	A	-0.6628
92	P	A	-1.4955
93	N	A	-2.2132
94	C	A	0.0000
95	R	A	-1.8787
96	E	A	-2.5358
97	W	A	-1.2449
98	L	A	0.0000
99	S	A	-0.8845
100	E	A	-1.3151
101	Y	A	-0.2772
102	A	A	0.0000
103	D	A	-0.9000
104	Y	A	0.4854
105	V	A	0.6021
106	V	A	0.5468
107	S	A	0.0788
108	S	A	-0.0618
109	T	A	0.0770
110	T	A	-0.1841
111	R	A	0.0509
112	A	A	-0.1328
113	S	A	-0.4132
114	H	A	-1.2101
115	L	A	-0.1107
116	P	A	0.0000
117	Y	A	1.3789
118	L	A	0.8950
119	P	A	0.0000
120	M	A	0.0000
121	V	A	1.2574
122	V	A	0.0000
123	G	A	0.2666
124	V	A	-0.6828
125	P	A	-1.4319
126	K	A	-2.2654
127	K	A	-2.4205
128	E	A	-1.0764
129	C	A	0.4334
130	I	A	1.3653
131	Y	A	1.4520
132	V	A	0.0000
133	R	A	-0.7831
134	E	A	-0.9527
135	L	A	-0.1551
136	L	A	0.0000
137	A	A	-0.2274
138	P	A	-0.3412
139	Y	A	-0.0825
140	I	A	0.6320
141	Y	A	-0.2940
142	D	A	-1.6782
143	P	A	-1.9083
144	N	A	-2.9272
145	R	A	-3.6171
146	G	A	-3.0109
147	D	A	-2.8364
148	C	A	-1.4244
149	P	A	-0.6535
150	P	A	-0.3098
151	Y	A	0.7211
152	A	A	-0.2069
153	D	A	-1.3312
154	A	A	0.0000
155	V	A	-0.2372
156	S	A	-1.0871
157	E	A	-1.8887
158	F	A	-1.1543
159	K	A	-2.3339
160	G	A	-1.7851
161	L	A	0.0000
162	L	A	-1.5905
163	E	A	-1.8487
164	D	A	-2.5085
165	H	A	-2.0112
166	A	A	-1.1793
167	S	A	-1.1184