Project name: c62b593f9813219

Chain sequence(s)	A: KIPGVKPIRLFFGQQRRDVYPSALRRLLRFIAPDLVITHMEAHVNEATGRGKGCAWVIVPSVLEAKRLLRLSGRIFLDINSNGEEVYLFAPPNCREWLSEYADYVVSSTTRASHLPYLPMVVGVPKKECIYVRELLAPYIYDPNRGDCPPYADAVSEFKGLLEDHASL
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                                          (00:02:13)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:14)

• Minimal score value: -3.7253
• Maximal score value: 1.7446
• Average score: -0.6437
• Total score value: -108.1336

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	-1.1426
2	I	A	0.7397
3	P	A	-0.1167
4	G	A	-0.4972
5	V	A	-0.2804
6	K	A	-1.6970
7	P	A	-1.1508
8	I	A	0.0000
9	R	A	-0.9189
10	L	A	0.0000
11	F	A	0.6993
12	F	A	0.0000
13	G	A	0.0689
14	Q	A	-0.2416
15	Q	A	-0.8261
16	R	A	-1.2910
17	R	A	-2.3117
18	D	A	-1.0036
19	V	A	0.2434
20	Y	A	0.7821
21	P	A	-0.8495
22	S	A	-1.4488
23	A	A	-1.9445
24	L	A	0.0000
25	R	A	-2.9029
26	R	A	-2.6176
27	L	A	0.0000
28	L	A	0.0000
29	R	A	-1.3236
30	F	A	0.5497
31	I	A	0.5240
32	A	A	-0.3373
33	P	A	-0.8610
34	D	A	-1.4408
35	L	A	0.0000
36	V	A	0.9068
37	I	A	0.2000
38	T	A	-0.2253
39	H	A	-1.2652
40	M	A	0.0000
41	E	A	-1.3531
42	A	A	-0.7299
43	H	A	-1.0934
44	V	A	-1.2888
45	N	A	-2.0985
46	E	A	-2.4542
47	A	A	-1.2793
48	T	A	-1.5048
49	G	A	-1.8928
50	R	A	-2.6470
51	G	A	0.0000
52	K	A	-2.5794
53	G	A	-1.8432
54	C	A	-0.6717
55	A	A	0.0000
56	W	A	0.0000
57	V	A	0.0000
58	I	A	-0.3339
59	V	A	0.0000
60	P	A	0.0254
61	S	A	0.0000
62	V	A	0.5571
63	L	A	1.2791
64	E	A	0.4680
65	A	A	0.0000
66	K	A	-0.2050
67	R	A	-0.8521
68	L	A	0.0000
69	L	A	0.0000
70	R	A	-1.2430
71	L	A	0.0000
72	S	A	0.0000
73	G	A	-0.2156
74	R	A	-0.4822
75	I	A	0.0000
76	F	A	0.0000
77	L	A	0.0000
78	D	A	0.0000
79	I	A	-0.2807
80	N	A	-1.2879
81	S	A	-1.1713
82	N	A	-1.8341
83	G	A	-1.4198
84	E	A	-1.5090
85	E	A	-0.9826
86	V	A	0.0000
87	Y	A	0.0000
88	L	A	0.0000
89	F	A	-0.2468
90	A	A	0.0000
91	P	A	-0.6122
92	P	A	-1.4638
93	N	A	-2.4245
94	C	A	0.0000
95	R	A	-2.1577
96	E	A	-2.5955
97	W	A	-1.5278
98	L	A	0.0000
99	S	A	-1.1916
100	E	A	-2.0874
101	Y	A	-0.7368
102	A	A	0.0000
103	D	A	-1.3287
104	Y	A	0.1250
105	V	A	0.0000
106	V	A	0.0896
107	S	A	-0.1091
108	S	A	-0.1611
109	T	A	0.0688
110	T	A	-0.2246
111	R	A	-0.0700
112	A	A	-0.1035
113	S	A	-0.5376
114	H	A	-1.4780
115	L	A	0.0000
116	P	A	0.0000
117	Y	A	0.9269
118	L	A	0.6844
119	P	A	0.0000
120	M	A	0.0000
121	V	A	1.3151
122	V	A	0.0000
123	G	A	0.2166
124	V	A	0.0000
125	P	A	0.0000
126	K	A	-2.3756
127	K	A	-2.3195
128	E	A	-0.9852
129	C	A	0.6557
130	I	A	1.6815
131	Y	A	1.7446
132	V	A	0.0000
133	R	A	-0.4594
134	E	A	-0.7867
135	L	A	0.1588
136	L	A	0.0000
137	A	A	-0.2239
138	P	A	-0.2202
139	Y	A	-0.0554
140	I	A	0.3906
141	Y	A	-0.6150
142	D	A	-2.0259
143	P	A	-2.1561
144	N	A	-2.9216
145	R	A	-3.7253
146	G	A	-3.0807
147	D	A	-2.7178
148	C	A	0.0000
149	P	A	-0.9012
150	P	A	-0.1817
151	Y	A	0.4316
152	A	A	-0.2173
153	D	A	-1.5338
154	A	A	-0.7024
155	V	A	-0.5921
156	S	A	-1.0982
157	E	A	-2.0397
158	F	A	-0.7708
159	K	A	-1.4048
160	G	A	-1.4364
161	L	A	0.0000
162	L	A	-2.1617
163	E	A	-3.2800
164	D	A	-2.8989
165	H	A	-1.7886
166	A	A	-0.5386
167	S	A	0.1642
168	L	A	1.3881