Project name: PKN1 (cryptic)

Chain sequence(s)	A: MASDAVQSEPRSWSLLEQLGLAGADLAAPGVQQQLELERERLRREIRKELKLKEGAENLRRATTDLGRSLGPVELLLRGSSRRLDLLHQQLQELHAHVVLPDPAATHDGPQSPGAGGPTCSATNLSRVAGLEKQLAIELKVKQGAENMIQTYSNGSTKDRKLLLTAQQMLQTGPVSDGVWIKESGWKCGCLQVTVRQCHCACPLDEA
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]                                                (00:00:03)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:03)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:03)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:03)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:03)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:04:00)
[INFO]       Main:     Simulation completed successfully.                                          (00:04:01)

• Minimal score value: -5.2759
• Maximal score value: 2.5933
• Average score: -0.9833
• Total score value: -203.5499

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	M	A	0.8302
2	A	A	-0.0149
3	S	A	-0.5459
4	D	A	-1.4557
5	A	A	-0.4329
6	V	A	0.3910
7	Q	A	-1.2480
8	S	A	-1.4745
9	E	A	-2.6665
10	P	A	-2.0987
11	R	A	-2.2695
12	S	A	-0.9944
13	W	A	0.0876
14	S	A	-0.3627
15	L	A	-0.3390
16	L	A	-0.4036
17	E	A	-0.8342
18	Q	A	-1.0607
19	L	A	-0.5767
20	G	A	-0.8150
21	L	A	-0.6081
22	A	A	-0.6903
23	G	A	-0.8592
24	A	A	-0.8757
25	D	A	-1.7737
26	L	A	-0.3123
27	A	A	-0.3827
28	A	A	-1.0025
29	P	A	-1.1406
30	G	A	-1.4826
31	V	A	-1.2049
32	Q	A	-1.6554
33	Q	A	-2.0661
34	Q	A	-1.4517
35	L	A	0.0000
36	E	A	-2.3380
37	L	A	-1.1635
38	E	A	0.0000
39	R	A	-2.9828
40	E	A	-3.4877
41	R	A	-3.6507
42	L	A	0.0000
43	R	A	-4.8462
44	R	A	-5.2759
45	E	A	-4.9464
46	I	A	0.0000
47	R	A	-4.4126
48	K	A	-4.2623
49	E	A	0.0000
50	L	A	-2.6363
51	K	A	-3.4052
52	L	A	-1.9560
53	K	A	-2.4535
54	E	A	-3.4252
55	G	A	-2.5148
56	A	A	0.0000
57	E	A	-3.5143
58	N	A	-3.0246
59	L	A	-1.8248
60	R	A	-2.9848
61	R	A	-3.0470
62	A	A	-1.8488
63	T	A	0.0000
64	T	A	-1.9020
65	D	A	-2.0237
66	L	A	-0.4812
67	G	A	-1.1752
68	R	A	-2.0490
69	S	A	-1.2612
70	L	A	-1.0136
71	G	A	-0.5201
72	P	A	-0.2272
73	V	A	0.0000
74	E	A	-1.1027
75	L	A	0.5978
76	L	A	0.1662
77	L	A	-1.4265
78	R	A	-2.2422
79	G	A	-1.9304
80	S	A	0.0000
81	S	A	-2.3017
82	R	A	-3.6955
83	R	A	-3.5968
84	L	A	0.0000
85	D	A	-3.1620
86	L	A	-2.0785
87	L	A	0.0000
88	H	A	-2.8839
89	Q	A	-2.4625
90	Q	A	-1.5795
91	L	A	0.0000
92	Q	A	-2.2546
93	E	A	-1.5262
94	L	A	0.0000
95	H	A	-0.9825
96	A	A	-0.1330
97	H	A	0.6483
98	V	A	1.8658
99	V	A	2.5933
100	L	A	2.0692
101	P	A	-0.0154
102	D	A	-1.3537
103	P	A	-0.9382
104	A	A	-0.8588
105	A	A	-0.8253
106	T	A	-0.9986
107	H	A	-1.9826
108	D	A	-2.5801
109	G	A	-1.9523
110	P	A	-1.5419
111	Q	A	-1.5886
112	S	A	-1.1081
113	P	A	-0.8723
114	G	A	-0.7025
115	A	A	-0.5634
116	G	A	-0.8087
117	G	A	-0.7293
118	P	A	-0.3788
119	T	A	-0.1620
120	C	A	0.4688
121	S	A	-0.0123
122	A	A	0.1211
123	T	A	-0.3475
124	N	A	-0.5200
125	L	A	0.7502
126	S	A	-0.6201
127	R	A	-1.7789
128	V	A	-0.5565
129	A	A	-0.9264
130	G	A	-1.3975
131	L	A	-0.5000
132	E	A	-2.1465
133	K	A	-2.2842
134	Q	A	-1.3176
135	L	A	0.0142
136	A	A	-0.6203
137	I	A	-0.4805
138	E	A	-1.3592
139	L	A	-0.5351
140	K	A	-1.6298
141	V	A	-0.5474
142	K	A	-2.4845
143	Q	A	-2.6508
144	G	A	-1.7490
145	A	A	-1.3456
146	E	A	-2.6203
147	N	A	-1.8490
148	M	A	-0.0007
149	I	A	0.3103
150	Q	A	-1.2895
151	T	A	-0.6458
152	Y	A	-0.5510
153	S	A	-0.9387
154	N	A	-1.7009
155	G	A	-1.4874
156	S	A	-1.6885
157	T	A	-2.0027
158	K	A	-2.6509
159	D	A	-1.8605
160	R	A	-2.4433
161	K	A	-1.8674
162	L	A	0.1072
163	L	A	0.3378
164	L	A	0.6621
165	T	A	0.2952
166	A	A	0.3274
167	Q	A	-0.3473
168	Q	A	-0.5618
169	M	A	0.4991
170	L	A	0.6598
171	Q	A	-1.0438
172	T	A	-0.3523
173	G	A	-0.1803
174	P	A	0.3056
175	V	A	1.0089
176	S	A	-0.2312
177	D	A	-1.0507
178	G	A	0.2720
179	V	A	2.1236
180	W	A	2.2349
181	I	A	1.5529
182	K	A	-1.2761
183	E	A	-2.0131
184	S	A	-1.3319
185	G	A	-1.0058
186	W	A	-0.0050
187	K	A	-0.9250
188	C	A	0.2917
189	G	A	0.3081
190	C	A	1.2757
191	L	A	1.7187
192	Q	A	0.8032
193	V	A	1.9052
194	T	A	0.8547
195	V	A	1.0088
196	R	A	-1.2337
197	Q	A	-1.2743
198	C	A	-0.0910
199	H	A	-0.6826
200	C	A	0.4808
201	A	A	0.5559
202	C	A	0.8726
203	P	A	0.3379
204	L	A	0.2762
205	D	A	-1.8669
206	E	A	-2.3415
207	A	A	-1.2469