Project name: For_2P_Mut [mutate: SP181A, FP182A]

Chain sequence(s)	A: LSIAFPENTKLDWKPVTKNTRYCPMGGEWFLEPGLQEESFLSSTPIGATPSKSDGFLCHAAKWVTTCDFRWYGPKYITHSIHNIKPTRSDCDTALASYKSGTLVSLGFPPESCGYASVTDSEFLVIMITPHHVGVDDYRGHWVDPLFVGGECDQSYCDTIHNSSVWIPADQTKKNICGQSFTPLTVTVAYDKTKEIAAGGIVFKSKYHSHMEGARTCRLSYCGRNGIKFPNGEWVSLDVKTRIQEKHLLPLFKECPAGTEVRSTLQSDGAQVLTSEIQRILDYSLCQNTWDKVERKEPLSPLDLSYLASKSPGKGLAYTVINGTLSFAHTRYVRMWIDGPVLKEPKGKRESPSGISSDIWTQWFKYGDMEIGPNGLLKTAGGYKFPWHLIGMGIVDNELHELSEANPLDHPQLPHA; C: LSIAFPENTKLDWKPVTKNTRYCPMGGEWFLEPGLQEESFLSSTPIGATPSKSDGFLCHAAKWVTTCDFRWYGPKYITHSIHNIKPTRSDCDTALASYKSGTLVSLGFPPESCGYASVTDSEFLVIMITPHHVGVDDYRGHWVDPLFVGGECDQSYCDTIHNSSVWIPADQTKKNICGQSFTPLTVTVAYDKTKEIAAGGIVFKSKYHSHMEGARTCRLSYCGRNGIKFPNGEWVSLDVKTRIQEKHLLPLFKECPAGTEVRSTLQSDGAQVLTSEIQRILDYSLCQNTWDKVERKEPLSPLDLSYLASKSPGKGLAYTVINGTLSFAHTRYVRMWIDGPVLKEPKGKRESPSGISSDIWTQWFKYGDMEIGPNGLLKTAGGYKFPWHLIGMGIVDNELHELSEANPLDHPQLPHA; B: LSIAFPENTKLDWKPVTKNTRYCPMGGEWFLEPGLQEESFLSSTPIGATPSKSDGFLCHAAKWVTTCDFRWYGPKYITHSIHNIKPTRSDCDTALASYKSGTLVSLGFPPESCGYASVTDSEFLVIMITPHHVGVDDYRGHWVDPLFVGGECDQSYCDTIHNSSVWIPADQTKKNICGQSFTPLTVTVAYDKTKEIAAGGIVFKSKYHSHMEGARTCRLSYCGRNGIKFPNGEWVSLDVKTRIQEKHLLPLFKECPAGTEVRSTLQSDGAQVLTSEIQRILDYSLCQNTWDKVERKEPLSPLDLSYLASKSPGKGLAYTVINGTLSFAHTRYVRMWIDGPVLKEPKGKRESPSGISSDIWTQWFKYGDMEIGPNGLLKTAGGYKFPWHLIGMGIVDNELHELSEANPLDHPQLPHA
Selected Chain(s)	A,C,B
Distance of aggregation	10 Å
FoldX usage	Yes
Dynamic mode	No
Automated mutations	No
Mutated residues	FP182A,SP181A
Energy difference between WT (input) and mutated protein (by FoldX)	1.42039 kcal/mol CAUTION: Your mutation/s can destabilize the protein structure

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 all chain(s) selected           (00:00:00)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:00)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       FoldX:    Building mutant model                                                       (00:08:31)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:09:02)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:16:41)
[INFO]       Main:     Simulation completed successfully.                                          (00:16:58)

• Minimal score value: -4.2634
• Maximal score value: 2.2787
• Average score: -0.5421
• Total score value: -676.5214

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
2	L	A	0.5328
3	S	A	-0.1666
4	I	A	0.0000
5	A	A	-0.3549
6	F	A	0.0000
7	P	A	0.0000
8	E	A	-2.0140
9	N	A	-1.9573
10	T	A	-1.6710
11	K	A	-2.2470
12	L	A	0.0000
13	D	A	-1.3318
14	W	A	-0.5030
15	K	A	0.0000
16	P	A	-0.2883
17	V	A	0.0000
18	T	A	-0.9096
19	K	A	-2.1182
20	N	A	-1.6165
21	T	A	0.0000
22	R	A	0.0000
23	Y	A	0.0000
24	C	A	0.0000
25	P	A	0.0000
26	M	A	0.0000
27	G	A	0.0000
28	G	A	0.1083
29	E	A	0.0000
30	W	A	1.0636
31	F	A	1.8981
32	L	A	0.0000
33	E	A	-0.3156
34	P	A	0.0977
35	G	A	-0.9485
36	L	A	-1.7355
37	Q	A	-3.1518
38	E	A	-3.5744
39	E	A	-2.6507
40	S	A	-1.1951
41	F	A	0.0000
42	L	A	0.6387
43	S	A	0.0000
44	S	A	-0.0515
45	T	A	0.0002
46	P	A	0.1021
47	I	A	0.3612
48	G	A	-0.3496
49	A	A	-0.8068
50	T	A	-0.1659
51	P	A	-0.6559
52	S	A	-0.6778
53	K	A	-1.0629
54	S	A	0.0000
55	D	A	-1.4581
56	G	A	0.0000
57	F	A	0.0000
58	L	A	0.0694
59	C	A	0.0000
60	H	A	0.0000
61	A	A	0.0000
62	A	A	0.0000
63	K	A	-0.5636
64	W	A	0.0000
65	V	A	0.0000
66	T	A	0.0000
67	T	A	-0.8335
68	C	A	0.0000
69	D	A	0.7077
70	F	A	1.1457
71	R	A	0.6577
72	W	A	1.5545
73	Y	A	1.4069
74	G	A	0.3992
75	P	A	-0.2930
76	K	A	-0.2926
77	Y	A	0.6804
78	I	A	0.8704
79	T	A	-0.2498
80	H	A	-0.7927
81	S	A	-0.6252
82	I	A	-0.2627
83	H	A	-0.9381
84	N	A	-0.6232
85	I	A	-0.4774
86	K	A	-1.8284
87	P	A	0.0000
88	T	A	-1.5805
89	R	A	-2.4657
90	S	A	-1.6546
91	D	A	-1.4714
92	C	A	0.0000
93	D	A	-1.3657
94	T	A	-0.9179
95	A	A	0.0000
96	L	A	0.0000
97	A	A	-0.6695
98	S	A	-0.1306
99	Y	A	-0.0690
100	K	A	-1.5824
101	S	A	-0.9997
102	G	A	-0.5407
103	T	A	0.1900
104	L	A	1.2315
105	V	A	2.2687
106	S	A	1.5821
107	L	A	1.9838
108	G	A	1.1144
109	F	A	0.4295
110	P	A	0.0000
111	P	A	-1.0899
112	E	A	-2.1774
113	S	A	-1.3203
114	C	A	0.1693
115	G	A	0.8282
116	Y	A	1.6308
117	A	A	1.2323
118	S	A	1.0287
119	V	A	1.5222
120	T	A	-0.0862
121	D	A	-2.1932
122	S	A	-1.9440
123	E	A	-1.7600
124	F	A	0.6374
125	L	A	0.8607
126	V	A	0.0000
127	I	A	0.4213
128	M	A	0.6164
129	I	A	0.0000
130	T	A	0.0779
131	P	A	-0.3175
132	H	A	0.0000
133	H	A	-0.8672
134	V	A	0.0000
135	G	A	0.0000
136	V	A	0.0000
137	D	A	0.0000
138	D	A	-0.3367
139	Y	A	0.0000
140	R	A	-1.2916
141	G	A	0.0000
142	H	A	-1.6973
143	W	A	0.0000
144	V	A	0.0000
145	D	A	0.0000
146	P	A	0.0000
147	L	A	0.0000
148	F	A	0.0000
149	V	A	1.1569
150	G	A	0.2232
151	G	A	0.1848
152	E	A	-0.9580
153	C	A	-1.3840
154	D	A	-2.6392
155	Q	A	-2.2864
156	S	A	-1.2591
157	Y	A	-0.9341
158	C	A	0.0000
159	D	A	-1.0631
160	T	A	0.0000
161	I	A	0.0091
162	H	A	0.0000
163	N	A	-1.6039
164	S	A	-1.1944
165	S	A	0.0000
166	V	A	-0.7898
167	W	A	0.0000
168	I	A	0.0000
169	P	A	0.0000
170	A	A	-1.2303
171	D	A	-2.1938
172	Q	A	-2.0421
173	T	A	-1.8773
174	K	A	-2.1861
175	K	A	-2.7777
176	N	A	-2.2296
177	I	A	-0.9872
178	C	A	-0.3848
179	G	A	-1.1466
180	Q	A	-1.1584
181	P	A	-0.5650	mutated: SP181A
182	P	A	-0.3557	mutated: FP182A
183	T	A	-0.1819
184	P	A	-0.0911
185	L	A	0.1565
186	T	A	-0.0316
187	V	A	0.0000
188	T	A	-0.9593
189	V	A	0.0000
190	A	A	0.0000
191	Y	A	0.0000
192	D	A	-3.3922
193	K	A	-3.2216
194	T	A	-3.0417
195	K	A	-2.7523
196	E	A	-1.3193
197	I	A	0.0192
198	A	A	-0.7186
199	A	A	0.0000
200	G	A	-0.2763
201	G	A	-0.8695
202	I	A	0.0000
203	V	A	0.0000
204	F	A	0.0000
205	K	A	0.0000
206	S	A	0.0000
207	K	A	-0.4547
208	Y	A	0.4275
209	H	A	0.0000
210	S	A	0.0000
211	H	A	0.0000
212	M	A	0.0000
213	E	A	-0.9473
214	G	A	0.0000
215	A	A	-1.0839
216	R	A	-1.7951
217	T	A	0.0000
218	C	A	-1.8312
219	R	A	-2.0280
220	L	A	-1.3852
221	S	A	-0.9256
222	Y	A	0.0000
223	C	A	0.0398
224	G	A	-0.7095
225	R	A	-1.1010
226	N	A	-1.4005
227	G	A	0.0000
228	I	A	0.0000
229	K	A	0.0000
230	F	A	0.0000
231	P	A	-0.8675
232	N	A	-0.6796
233	G	A	0.0000
234	E	A	0.0000
235	W	A	0.0000
236	V	A	0.0000
237	S	A	0.0000
238	L	A	0.0000
239	D	A	-0.5731
240	V	A	-0.6341
241	K	A	-2.2844
242	T	A	-1.8063
243	R	A	-1.8429
244	I	A	0.0000
245	Q	A	-2.3412
246	E	A	-1.8921
247	K	A	0.0000
248	H	A	-1.6164
249	L	A	0.3785
250	L	A	0.2239
251	P	A	-0.5631
252	L	A	0.0000
253	F	A	0.0000
254	K	A	-2.9131
255	E	A	-3.0058
256	C	A	-1.9631
257	P	A	-1.2454
258	A	A	-0.7413
259	G	A	-0.9570
260	T	A	-1.2999
261	E	A	-2.0328
262	V	A	-1.0831
263	R	A	-0.8951
264	S	A	0.0000
265	T	A	0.0000
266	L	A	0.0000
267	Q	A	0.0000
268	S	A	-0.2971
269	D	A	-0.5105
270	G	A	-0.2021
271	A	A	0.1214
272	Q	A	0.3526
273	V	A	1.6383
274	L	A	0.9324
275	T	A	0.4244
276	S	A	-0.2488
277	E	A	-0.7041
278	I	A	0.0000
279	Q	A	-0.7393
280	R	A	0.0000
281	I	A	-0.1200
282	L	A	0.0000
283	D	A	-0.2979
284	Y	A	0.0000
285	S	A	0.0000
286	L	A	0.0000
287	C	A	0.0000
288	Q	A	-1.0874
289	N	A	-1.9175
290	T	A	0.0000
291	W	A	0.0000
292	D	A	-2.7608
293	K	A	-3.1413
294	V	A	0.0000
295	E	A	-4.0524
296	R	A	-4.2620
297	K	A	-3.9157
298	E	A	-2.8651
299	P	A	-1.7812
300	L	A	0.0000
301	S	A	0.0000
302	P	A	0.0000
303	L	A	0.0000
304	D	A	-0.3447
305	L	A	0.0000
306	S	A	0.0000
307	Y	A	-0.1914
308	L	A	0.0000
309	A	A	0.0000
310	S	A	0.0000
311	K	A	-0.2070
312	S	A	0.0000
313	P	A	0.0000
314	G	A	0.0000
315	K	A	0.0000
316	G	A	0.0000
317	L	A	0.0000
318	A	A	0.0000
319	Y	A	0.0000
320	T	A	0.0000
321	V	A	0.0000
322	I	A	-0.6732
323	N	A	-1.8828
324	G	A	-1.5177
325	T	A	-0.9983
326	L	A	0.0000
327	S	A	0.0000
328	F	A	0.0000
329	A	A	0.0000
330	H	A	0.0000
331	T	A	0.0000
332	R	A	-0.5710
333	Y	A	0.0000
334	V	A	0.0000
335	R	A	-0.7882
336	M	A	0.0000
337	W	A	-0.7672
338	I	A	0.0000
339	D	A	-1.8387
340	G	A	-0.7509
341	P	A	-0.0022
342	V	A	-0.4611
343	L	A	0.0000
344	K	A	-2.8401
345	E	A	-3.0504
346	P	A	-2.0002
347	K	A	-2.5832
348	G	A	0.0000
349	K	A	-1.6178
350	R	A	-1.6446
351	E	A	-1.7590
352	S	A	-0.9608
353	P	A	-0.5626
354	S	A	-0.3202
355	G	A	-0.3060
356	I	A	0.7632
357	S	A	-0.4865
358	S	A	-1.0896
359	D	A	-2.2638
360	I	A	0.0000
361	W	A	0.0000
362	T	A	-0.8160
363	Q	A	-0.7870
364	W	A	-0.4941
365	F	A	-0.6178
366	K	A	-2.2907
367	Y	A	0.0000
368	G	A	-1.8674
369	D	A	-2.5450
370	M	A	0.0000
371	E	A	-1.4977
372	I	A	0.0000
373	G	A	0.0000
374	P	A	0.0000
375	N	A	-0.1120
376	G	A	0.0000
377	L	A	0.0000
378	L	A	0.0000
379	K	A	-1.1194
380	T	A	-0.9113
381	A	A	-0.6325
382	G	A	-0.5797
383	G	A	-1.1086
384	Y	A	-0.9890
385	K	A	0.0000
386	F	A	0.0000
387	P	A	0.0000
388	W	A	0.0665
389	H	A	0.1393
390	L	A	0.3738
391	I	A	0.0000
392	G	A	0.0000
393	M	A	0.1864
394	G	A	0.0000
395	I	A	0.4827
396	V	A	0.0000
397	D	A	-0.9853
398	N	A	-1.6942
399	E	A	-1.5152
400	L	A	0.0000
401	H	A	-0.9292
402	E	A	-0.9831
403	L	A	-0.1585
404	S	A	-1.0867
405	E	A	-2.7713
406	A	A	0.0000
407	N	A	-2.1271
408	P	A	-1.6316
409	L	A	-0.8306
410	D	A	-1.7119
411	H	A	-0.8924
412	P	A	-0.5573
413	Q	A	0.0000
414	L	A	-0.0369
415	P	A	-0.5568
416	H	A	-0.9049
417	A	A	-0.2611
2	L	B	0.7414
3	S	B	-0.0216
4	I	B	0.0000
5	A	B	0.0000
6	F	B	0.0000
7	P	B	0.0000
8	E	B	-1.9696
9	N	B	-1.9516
10	T	B	-1.7261
11	K	B	-2.2716
12	L	B	0.0000
13	D	B	-1.4142
14	W	B	-0.5395
15	K	B	0.0000
16	P	B	-0.2422
17	V	B	0.0000
18	T	B	-0.8388
19	K	B	-2.0676
20	N	B	-1.6175
21	T	B	0.0000
22	R	B	0.0000
23	Y	B	0.0000
24	C	B	0.0000
25	P	B	0.0000
26	M	B	0.0000
27	G	B	0.0000
28	G	B	0.0206
29	E	B	0.0000
30	W	B	1.1181
31	F	B	1.9208
32	L	B	0.0000
33	E	B	-0.3053
34	P	B	0.1046
35	G	B	-0.9486
36	L	B	-1.7416
37	Q	B	-3.1623
38	E	B	-3.5561
39	E	B	-2.5903
40	S	B	-1.1160
41	F	B	0.0000
42	L	B	0.7729
43	S	B	0.0000
44	S	B	0.0282
45	T	B	0.0694
46	P	B	0.0000
47	I	B	0.4431
48	G	B	-0.3138
49	A	B	-0.8280
50	T	B	-0.1363
51	P	B	-0.6207
52	S	B	-0.6429
53	K	B	-1.0147
54	S	B	0.0000
55	D	B	-1.4104
56	G	B	0.0000
57	F	B	0.0000
58	L	B	0.0119
59	C	B	0.0000
60	H	B	0.0000
61	A	B	0.0000
62	A	B	0.0000
63	K	B	-0.3170
64	W	B	-0.2209
65	V	B	-1.0860
66	T	B	0.0000
67	T	B	-0.8274
68	C	B	0.0000
69	D	B	0.7116
70	F	B	1.1971
71	R	B	0.7145
72	W	B	1.5795
73	Y	B	1.4363
74	G	B	0.4593
75	P	B	-0.1999
76	K	B	-0.1206
77	Y	B	0.6837
78	I	B	0.7139
79	T	B	-0.3091
80	H	B	-0.7837
81	S	B	-0.5607
82	I	B	-0.1390
83	H	B	-0.8271
84	N	B	-0.4349
85	I	B	0.0078
86	K	B	-1.5783
87	P	B	0.0000
88	T	B	-1.5254
89	R	B	-2.4653
90	S	B	-1.6525
91	D	B	-1.4685
92	C	B	0.0000
93	D	B	-1.3649
94	T	B	-0.9209
95	A	B	0.0000
96	L	B	0.0000
97	A	B	-0.6794
98	S	B	-0.1486
99	Y	B	-0.1039
100	K	B	-1.5986
101	S	B	-1.0110
102	G	B	-0.5546
103	T	B	0.1770
104	L	B	1.2110
105	V	B	2.2618
106	S	B	1.5767
107	L	B	1.9925
108	G	B	1.1266
109	F	B	0.4547
110	P	B	0.0000
111	P	B	-1.0908
112	E	B	-2.2112
113	S	B	-1.3464
114	C	B	0.1222
115	G	B	0.8007
116	Y	B	1.6383
117	A	B	1.2133
118	S	B	1.0162
119	V	B	1.5122
120	T	B	-0.1011
121	D	B	-2.1472
122	S	B	-1.8806
123	E	B	-1.6390
124	F	B	0.7292
125	L	B	0.9997
126	V	B	0.0000
127	I	B	0.4829
128	M	B	0.6067
129	I	B	0.0000
130	T	B	0.0686
131	P	B	-0.3339
132	H	B	0.0000
133	H	B	-0.8750
134	V	B	0.0000
135	G	B	0.0000
136	V	B	0.0000
137	D	B	0.0000
138	D	B	-0.3707
139	Y	B	0.0000
140	R	B	-1.5823
141	G	B	0.0000
142	H	B	-1.7716
143	W	B	0.0000
144	V	B	0.0000
145	D	B	0.0000
146	P	B	0.0000
147	L	B	0.0000
148	F	B	0.0000
149	V	B	1.0199
150	G	B	0.1639
151	G	B	0.0000
152	E	B	-1.0967
153	C	B	-1.4912
154	D	B	-2.6921
155	Q	B	-2.3412
156	S	B	-1.2610
157	Y	B	-1.0392
158	C	B	0.0000
159	D	B	-1.5361
160	T	B	0.0000
161	I	B	-0.1032
162	H	B	0.0000
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