Project name: MLP_ED

Chain sequence(s)	C: PPKKKKKKKIFWPCGLTIDYPNRLLYFMDSYLDYMDFCDYNGHHRRQVIASDLIIRHPYALTLFSVYWTDRATRRVMRANKWHGGNQSVVMYNIQWPLGIVAVHPSKQPNSVNPCAFSRCSHLCLLSSQGPHFYSCVCPSGWSLSPDLLNCLRDDQPFLITVRQHIIFGISLNPEVNDAMVPIAGIQNGLDVEFDDAEQYIYWVENPGEIHRDRWHQQDSICFYIYGGAFYEPGLRLDFKKPLFYASSLTDSL
Selected Chain(s)	C
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 C 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.                                          (00:02:15)

• Minimal score value: -3.612
• Maximal score value: 2.486
• Average score: -0.2773
• Total score value: -70.1635

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
17	P	C	-0.9860
18	P	C	-1.6523
19	K	C	-3.1207
20	K	C	-3.6120
21	K	C	-3.2521
22	K	C	-3.1797
23	K	C	-3.2048
24	K	C	-3.0581
25	K	C	-2.0447
26	I	C	0.1466
27	F	C	2.1542
28	W	C	2.2742
29	P	C	1.3470
30	C	C	1.2582
31	G	C	1.0448
32	L	C	1.8130
33	T	C	1.4193
34	I	C	1.0056
35	D	C	0.0000
36	Y	C	-0.6780
37	P	C	-1.1290
38	N	C	-1.9971
39	R	C	-1.9233
40	L	C	-0.8950
41	L	C	0.3222
42	Y	C	0.0000
43	F	C	0.0000
44	M	C	0.0000
45	D	C	0.0000
46	S	C	0.0000
47	Y	C	1.7490
48	L	C	0.8316
49	D	C	-0.1882
50	Y	C	0.0000
51	M	C	0.0000
52	D	C	0.0000
53	F	C	0.0000
54	C	C	0.0000
55	D	C	-1.5455
56	Y	C	-0.5144
57	N	C	-2.0961
58	G	C	-2.0273
59	H	C	-2.2512
60	H	C	-2.1963
61	R	C	-2.3934
62	R	C	-2.9116
63	Q	C	-2.1550
64	V	C	0.0000
65	I	C	0.0000
66	A	C	-0.5202
67	S	C	-0.3907
68	D	C	-0.6580
69	L	C	0.5821
70	I	C	-0.0400
71	I	C	0.0000
72	R	C	-1.7153
73	H	C	-1.1474
74	P	C	0.0000
75	Y	C	0.9598
76	A	C	1.0859
77	L	C	0.0000
78	T	C	0.0000
79	L	C	0.0000
80	F	C	1.9993
81	S	C	0.5574
82	V	C	0.0000
83	Y	C	0.7032
84	W	C	0.0000
85	T	C	0.0000
86	D	C	0.0000
87	R	C	-0.6372
88	A	C	-0.9222
89	T	C	-1.0433
90	R	C	-1.4027
91	R	C	-0.4457
92	V	C	0.0000
93	M	C	0.0000
94	R	C	-1.0694
95	A	C	0.0000
96	N	C	-1.0511
97	K	C	-0.1832
98	W	C	-0.1875
99	H	C	-1.3092
100	G	C	0.0000
101	G	C	-1.4518
102	N	C	-2.1376
103	Q	C	-1.6520
104	S	C	-0.6519
105	V	C	0.7583
106	V	C	1.3051
107	M	C	1.1685
108	Y	C	0.8424
109	N	C	-0.9556
110	I	C	-0.4573
111	Q	C	-0.9161
112	W	C	0.1227
113	P	C	0.1624
114	L	C	0.9221
115	G	C	0.7378
116	I	C	1.5553
117	V	C	2.4860
118	A	C	1.8922
119	V	C	1.4960
120	H	C	-0.4125
121	P	C	-1.0662
122	S	C	-1.1078
123	K	C	-0.8390
124	Q	C	-1.8614
125	P	C	-1.6442
126	N	C	-1.6818
127	S	C	-0.4962
128	V	C	0.7642
129	N	C	0.0124
130	P	C	0.6833
131	C	C	0.7681
132	A	C	0.6128
133	F	C	1.3641
134	S	C	0.0914
135	R	C	-1.1878
136	C	C	-0.1078
137	S	C	-0.3055
138	H	C	-0.3954
139	L	C	0.9326
140	C	C	1.2593
141	L	C	2.3156
142	L	C	2.0031
143	S	C	0.8518
144	S	C	-0.2363
145	Q	C	-1.1017
146	G	C	-1.0261
147	P	C	-0.7184
148	H	C	-0.4625
149	F	C	1.0722
150	Y	C	1.1603
151	S	C	1.2705
152	C	C	0.0000
153	V	C	1.2300
154	C	C	0.4635
155	P	C	-0.3158
156	S	C	-0.9793
157	G	C	-1.5753
158	W	C	-0.8153
159	S	C	-0.1852
160	L	C	0.5228
161	S	C	0.0136
162	P	C	-0.5907
163	D	C	-1.1500
164	L	C	0.5374
165	L	C	-0.1437
166	N	C	-0.3709
167	C	C	0.0000
168	L	C	0.0462
169	R	C	-2.1992
170	D	C	-2.9040
171	D	C	-3.2305
172	Q	C	-2.6985
173	P	C	-0.8564
174	F	C	0.4338
175	L	C	1.3849
176	I	C	1.2466
177	T	C	0.4715
178	V	C	0.2491
179	R	C	-1.1425
180	Q	C	-1.9856
181	H	C	-1.8714
182	I	C	-0.5741
183	I	C	0.0000
184	F	C	0.2081
185	G	C	0.0000
186	I	C	0.0000
187	S	C	0.0778
188	L	C	1.0230
189	N	C	-0.7339
190	P	C	-0.8694
191	E	C	-1.3630
192	V	C	-0.0251
193	N	C	-0.8684
194	D	C	-1.4474
195	A	C	-0.5576
196	M	C	0.0000
197	V	C	-0.7305
198	P	C	-0.1462
199	I	C	0.0855
200	A	C	-0.3094
201	G	C	-1.0186
202	I	C	0.0000
203	Q	C	-2.0762
204	N	C	-1.7855
205	G	C	-0.9406
206	L	C	0.1891
207	D	C	-0.2291
208	V	C	0.3388
209	E	C	0.2153
210	F	C	0.7290
211	D	C	0.0000
212	D	C	-1.9913
213	A	C	-1.5112
214	E	C	-2.7010
215	Q	C	-2.5146
216	Y	C	0.0000
217	I	C	0.0000
218	Y	C	0.0000
219	W	C	0.0000
220	V	C	0.0000
221	E	C	0.0000
222	N	C	-1.2931
223	P	C	-0.5192
224	G	C	0.4511
225	E	C	0.8167
226	I	C	0.0000
227	H	C	0.8117
228	R	C	0.0446
229	D	C	0.0000
230	R	C	-2.4115
231	W	C	-1.7697
232	H	C	-2.2532
233	Q	C	-2.6637
234	Q	C	-2.9036
235	D	C	-2.5262
236	S	C	-0.8514
237	I	C	1.4366
238	C	C	1.6115
239	F	C	1.7908
240	Y	C	2.2561
241	I	C	2.3459
242	Y	C	2.0684
243	G	C	0.6682
244	G	C	0.4428
245	A	C	1.1110
246	F	C	1.7222
247	Y	C	1.4915
248	E	C	0.0000
249	P	C	0.1474
250	G	C	0.1099
251	L	C	-0.0972
252	R	C	-0.9022
253	L	C	-0.1107
254	D	C	-0.4854
255	F	C	0.2451
256	K	C	-1.5828
257	K	C	-1.7965
258	P	C	-0.8403
259	L	C	-0.0646
260	F	C	0.7693
261	Y	C	0.9468
262	A	C	0.5647
263	S	C	0.3921
264	S	C	0.2823
265	L	C	1.0093
266	T	C	-0.0534
267	D	C	-1.2232
268	S	C	-0.0277
269	L	C	1.3614