Project name: ccbde8e3140f5e2

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                                          (00:02:24)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:25)

• Minimal score value: -3.7324
• Maximal score value: 1.5426
• Average score: -0.5904
• Total score value: -99.7807

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	-0.4644
2	I	A	1.5426
3	P	A	0.9299
4	G	A	0.9384
5	V	A	1.1468
6	K	A	-0.9190
7	P	A	-0.7686
8	I	A	0.0000
9	R	A	-1.0203
10	L	A	0.0000
11	F	A	0.4765
12	F	A	0.0000
13	G	A	0.0000
14	Q	A	-0.1160
15	Q	A	-0.6131
16	R	A	-1.0132
17	R	A	-2.1606
18	D	A	0.0000
19	V	A	-0.3692
20	Y	A	0.1787
21	P	A	0.0000
22	S	A	0.0000
23	A	A	-0.9720
24	L	A	0.0000
25	R	A	-2.0553
26	R	A	-1.5090
27	L	A	0.0000
28	L	A	0.0000
29	R	A	-1.6855
30	F	A	0.0730
31	I	A	0.2528
32	A	A	-0.5720
33	P	A	-1.1100
34	D	A	-1.5380
35	L	A	0.0000
36	V	A	1.2345
37	I	A	0.4237
38	T	A	0.0712
39	H	A	-1.1747
40	M	A	0.0000
41	E	A	-1.7909
42	A	A	-1.1224
43	H	A	-1.3209
44	V	A	-1.5604
45	N	A	-2.0672
46	E	A	-2.3641
47	A	A	-1.2930
48	T	A	-1.3748
49	G	A	-1.8138
50	R	A	-2.7156
51	G	A	0.0000
52	K	A	-2.0486
53	G	A	-1.4975
54	C	A	-0.6366
55	A	A	0.0000
56	W	A	-0.5400
57	V	A	0.0000
58	I	A	-0.2887
59	V	A	0.0000
60	P	A	0.2748
61	S	A	0.6435
62	V	A	0.8400
63	L	A	1.5073
64	E	A	0.6303
65	A	A	0.0000
66	K	A	-0.2265
67	R	A	-0.8124
68	L	A	0.0000
69	L	A	0.0000
70	R	A	-1.8115
71	L	A	0.0000
72	S	A	0.0000
73	G	A	-0.6187
74	R	A	-0.7698
75	I	A	0.0000
76	F	A	0.0000
77	L	A	0.0000
78	D	A	0.0000
79	I	A	-0.1894
80	N	A	-1.1917
81	S	A	-1.0893
82	N	A	-1.8144
83	G	A	-1.4180
84	E	A	-1.4975
85	E	A	-0.9539
86	V	A	0.0000
87	Y	A	-0.5882
88	L	A	0.0000
89	F	A	-0.1861
90	A	A	0.0000
91	P	A	-0.8470
92	P	A	-1.7275
93	N	A	-2.4145
94	C	A	0.0000
95	R	A	-2.5657
96	E	A	-3.5255
97	W	A	-1.9838
98	L	A	0.0000
99	S	A	-1.6270
100	E	A	-2.3831
101	Y	A	-0.8544
102	A	A	0.0000
103	D	A	-1.2816
104	Y	A	0.1800
105	V	A	0.0000
106	V	A	0.3591
107	S	A	0.0151
108	S	A	-0.1100
109	T	A	0.1276
110	T	A	-0.2028
111	R	A	0.0072
112	A	A	-0.0286
113	S	A	-0.4585
114	H	A	-1.1639
115	L	A	0.0000
116	P	A	0.0000
117	Y	A	1.2275
118	L	A	0.5354
119	P	A	0.0000
120	M	A	0.0000
121	V	A	0.7335
122	V	A	0.0000
123	G	A	0.1586
124	V	A	-0.6126
125	P	A	0.0000
126	K	A	-2.2816
127	K	A	-2.4122
128	E	A	0.0000
129	C	A	-0.3768
130	I	A	0.6691
131	Y	A	1.0799
132	V	A	0.0000
133	R	A	-0.8377
134	E	A	-1.0700
135	L	A	-0.0145
136	L	A	0.0000
137	A	A	-0.2312
138	P	A	-0.1179
139	Y	A	-0.0292
140	I	A	0.4969
141	Y	A	-0.2425
142	D	A	-1.2400
143	P	A	-2.0280
144	N	A	-2.9707
145	R	A	-3.7324
146	G	A	-3.5148
147	D	A	-3.0858
148	C	A	-1.5347
149	P	A	-0.7930
150	P	A	-0.2769
151	Y	A	0.3536
152	A	A	-0.4245
153	D	A	-1.5289
154	A	A	0.0000
155	V	A	-0.4602
156	S	A	-1.0956
157	E	A	-1.9733
158	F	A	-1.0003
159	K	A	-1.6800
160	G	A	-0.8436
161	L	A	-0.5104
162	L	A	-0.5946
163	E	A	-1.6182
164	D	A	-2.2214
165	H	A	-1.4213
166	A	A	-0.4777
167	S	A	-0.1667
168	L	A	1.2252
169	P	A	0.1425