Project name: e7fb7be89d01103

Chain sequence(s)	A: KIPGVKPIRLFFGQQRRDVYPSALRRLLRFIAPDLVITHMEAHVNEATGRGKGCAWVIVPSVLEAKRLLRLSGRIFLDINSNGEEVYLFAPPNCREWLSEYADYVVSSTTRASHLPYLPMVVGVPKKECIYVRELLAPYIYDPNRGDCPPYADAVSEFKGLLEDHASLP
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                                          (00:02:10)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:11)

• Minimal score value: -3.6256
• Maximal score value: 1.7378
• Average score: -0.5368
• Total score value: -90.7236

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	-1.3636
2	I	A	0.1436
3	P	A	-0.3088
4	G	A	-0.5249
5	V	A	-0.2763
6	K	A	-1.6108
7	P	A	-0.9698
8	I	A	0.0000
9	R	A	-0.7661
10	L	A	0.0000
11	F	A	0.8221
12	F	A	0.0000
13	G	A	0.3116
14	Q	A	-0.0672
15	Q	A	-0.7908
16	R	A	-1.4584
17	R	A	-2.6493
18	D	A	-1.2425
19	V	A	-0.0398
20	Y	A	0.4879
21	P	A	-0.8235
22	S	A	0.0000
23	A	A	0.0000
24	L	A	0.0000
25	R	A	-2.5462
26	R	A	-2.3760
27	L	A	0.0000
28	L	A	0.0000
29	R	A	-0.8525
30	F	A	0.9931
31	I	A	0.6811
32	A	A	-0.2466
33	P	A	-0.6453
34	D	A	-1.3091
35	L	A	0.0000
36	V	A	1.1211
37	I	A	0.4224
38	T	A	-0.1960
39	H	A	-1.1332
40	M	A	-1.2612
41	E	A	-1.4630
42	A	A	-0.9401
43	H	A	-1.2295
44	V	A	-1.4567
45	N	A	-1.9980
46	E	A	-2.4074
47	A	A	-1.2658
48	T	A	-1.3932
49	G	A	-1.7124
50	R	A	-2.6285
51	G	A	0.0000
52	K	A	-2.4383
53	G	A	-1.8548
54	C	A	-0.6426
55	A	A	0.0000
56	W	A	-0.4268
57	V	A	0.0000
58	I	A	-0.2255
59	V	A	0.0000
60	P	A	0.1711
61	S	A	0.4488
62	V	A	0.4643
63	L	A	1.1270
64	E	A	0.2791
65	A	A	0.0000
66	K	A	-0.5083
67	R	A	-1.5801
68	L	A	0.0000
69	L	A	0.0000
70	R	A	-1.4034
71	L	A	0.0000
72	S	A	0.1649
73	G	A	-0.1145
74	R	A	-0.5089
75	I	A	0.0000
76	F	A	0.0000
77	L	A	0.0000
78	D	A	0.0779
79	I	A	-0.3995
80	N	A	-1.0806
81	S	A	-1.2867
82	N	A	-1.9735
83	G	A	-1.6226
84	E	A	-1.4740
85	E	A	-0.7243
86	V	A	0.0041
87	Y	A	0.0000
88	L	A	0.0305
89	F	A	-0.4599
90	A	A	0.0000
91	P	A	-0.9319
92	P	A	-1.6027
93	N	A	-2.7106
94	C	A	0.0000
95	R	A	-2.0604
96	E	A	-2.9885
97	W	A	-1.4098
98	L	A	0.0000
99	S	A	-1.0546
100	E	A	-1.5736
101	Y	A	-0.2182
102	A	A	0.0000
103	D	A	-0.9552
104	Y	A	0.3866
105	V	A	0.3829
106	V	A	0.4415
107	S	A	-0.0470
108	S	A	-0.1191
109	T	A	0.0326
110	T	A	-0.2056
111	R	A	-0.0631
112	A	A	-0.1165
113	S	A	-0.6204
114	H	A	-1.3700
115	L	A	0.0000
116	P	A	0.0000
117	Y	A	1.2845
118	L	A	1.1834
119	P	A	0.0000
120	M	A	0.0000
121	V	A	1.3665
122	V	A	0.0000
123	G	A	0.5064
124	V	A	-0.4159
125	P	A	0.0000
126	K	A	-2.3117
127	K	A	-2.2717
128	E	A	-0.8905
129	C	A	0.6769
130	I	A	1.7024
131	Y	A	1.7378
132	V	A	0.0000
133	R	A	-0.4871
134	E	A	-0.8063
135	L	A	0.0814
136	L	A	0.0000
137	A	A	-0.0440
138	P	A	0.1443
139	Y	A	0.4299
140	I	A	1.4610
141	Y	A	0.3151
142	D	A	-1.3268
143	P	A	-2.1992
144	N	A	-3.0059
145	R	A	-3.6256
146	G	A	-3.2805
147	D	A	-3.1314
148	C	A	-1.7718
149	P	A	-0.9379
150	P	A	-0.2090
151	Y	A	0.9470
152	A	A	-0.2019
153	D	A	-1.5544
154	A	A	0.0000
155	V	A	-0.0181
156	S	A	-1.2151
157	E	A	-2.2979
158	F	A	-1.4030
159	K	A	-1.9362
160	G	A	-0.9773
161	L	A	0.0000
162	L	A	1.0244
163	E	A	0.0000
164	D	A	-0.9167
165	H	A	-0.6788
166	A	A	-0.0790
167	S	A	0.1534
168	L	A	1.5130
169	P	A	0.4725