Project name: For_2P_Mut

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

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]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:17:28)
[INFO]       Main:     Simulation completed successfully.                                          (00:17:45)

• Minimal score value: -4.3685
• Maximal score value: 2.2813
• Average score: -0.5398
• Total score value: -673.6787

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	0.5057
3	S	A	-0.1415
4	I	A	0.0000
5	A	A	-0.2664
6	F	A	0.0000
7	P	A	0.0000
8	E	A	-1.9202
9	N	A	-1.9503
10	T	A	-1.6522
11	K	A	-2.3271
12	L	A	0.0000
13	D	A	-1.7599
14	W	A	-0.7005
15	K	A	0.0000
16	P	A	-0.2335
17	V	A	0.0000
18	T	A	-0.9294
19	K	A	-2.0867
20	N	A	-1.5671
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	0.0970
29	E	A	0.0000
30	W	A	1.0543
31	F	A	1.8846
32	L	A	0.0000
33	E	A	-0.3235
34	P	A	0.0928
35	G	A	-0.9494
36	L	A	-1.7134
37	Q	A	-3.0870
38	E	A	-3.5188
39	E	A	-2.5927
40	S	A	-1.1609
41	F	A	0.0000
42	L	A	0.6698
43	S	A	0.0000
44	S	A	0.0941
45	T	A	0.1681
46	P	A	0.0000
47	I	A	0.4996
48	G	A	-0.2114
49	A	A	-0.7655
50	T	A	-0.0984
51	P	A	-0.6077
52	S	A	-0.6460
53	K	A	-1.1151
54	S	A	0.0000
55	D	A	-1.3618
56	G	A	0.0000
57	F	A	0.0000
58	L	A	0.0635
59	C	A	0.0000
60	H	A	0.0000
61	A	A	0.0000
62	A	A	0.0000
63	K	A	-0.3533
64	W	A	0.0000
65	V	A	-1.1117
66	T	A	0.0000
67	T	A	-0.8114
68	C	A	0.0000
69	D	A	0.6709
70	F	A	1.1071
71	R	A	0.6541
72	W	A	1.5545
73	Y	A	1.4084
74	G	A	0.3990
75	P	A	-0.3218
76	K	A	-0.3580
77	Y	A	0.6494
78	I	A	0.8291
79	T	A	-0.2661
80	H	A	-0.7923
81	S	A	-0.6444
82	I	A	-0.1790
83	H	A	-0.8592
84	N	A	-0.4415
85	I	A	-0.1768
86	K	A	-1.6757
87	P	A	0.0000
88	T	A	-1.5518
89	R	A	-2.4656
90	S	A	-1.6546
91	D	A	-1.4714
92	C	A	0.0000
93	D	A	-1.3653
94	T	A	-0.9184
95	A	A	0.0000
96	L	A	0.0000
97	A	A	-0.6703
98	S	A	-0.1314
99	Y	A	-0.0801
100	K	A	-1.5870
101	S	A	-1.0018
102	G	A	-0.5435
103	T	A	0.1893
104	L	A	1.2361
105	V	A	2.2813
106	S	A	1.6039
107	L	A	2.0281
108	G	A	1.1637
109	F	A	0.5082
110	P	A	0.0000
111	P	A	-1.0593
112	E	A	-2.1480
113	S	A	-1.3111
114	C	A	0.1695
115	G	A	0.8331
116	Y	A	1.6264
117	A	A	1.2333
118	S	A	1.0306
119	V	A	1.5121
120	T	A	-0.0871
121	D	A	-2.1386
122	S	A	-1.8600
123	E	A	-1.6458
124	F	A	0.7271
125	L	A	0.9724
126	V	A	0.0000
127	I	A	0.4727
128	M	A	0.6148
129	I	A	0.0000
130	T	A	0.0721
131	P	A	-0.3510
132	H	A	0.0000
133	H	A	-0.9167
134	V	A	0.0000
135	G	A	0.0000
136	V	A	0.0000
137	D	A	0.0000
138	D	A	-0.2629
139	Y	A	0.0000
140	R	A	-1.2622
141	G	A	0.0000
142	H	A	-1.6704
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	1.1528
150	G	A	0.2173
151	G	A	0.1754
152	E	A	-0.9705
153	C	A	-1.3849
154	D	A	-2.6297
155	Q	A	-2.2818
156	S	A	-1.2538
157	Y	A	-0.9302
158	C	A	0.0000
159	D	A	-1.0652
160	T	A	0.0000
161	I	A	0.0593
162	H	A	0.0000
163	N	A	-1.5445
164	S	A	-1.1196
165	S	A	0.0000
166	V	A	-0.7917
167	W	A	0.0000
168	I	A	0.0000
169	P	A	0.0000
170	A	A	-1.2089
171	D	A	-2.1756
172	Q	A	-2.0202
173	T	A	-1.8687
174	K	A	-2.1833
175	K	A	-2.8369
176	N	A	-2.3186
177	I	A	-1.1040
178	C	A	-0.6911
179	G	A	-1.3735
180	Q	A	-1.5140
181	S	A	-0.5605
182	F	A	-0.1844
183	T	A	-0.0204
184	P	A	0.0189
185	L	A	0.2128
186	T	A	-0.0154
187	V	A	0.0000
188	T	A	-0.9565
189	V	A	0.0000
190	A	A	0.0000
191	Y	A	0.0000
192	D	A	-3.2863
193	K	A	-2.9200
194	T	A	-2.7577
195	K	A	-2.2255
196	E	A	-0.8235
197	I	A	0.8293
198	A	A	-0.2341
199	A	A	0.0000
200	G	A	-0.0624
201	G	A	-0.7730
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	-0.4043
208	Y	A	0.4606
209	H	A	0.0000
210	S	A	0.0000
211	H	A	0.0000
212	M	A	0.0000
213	E	A	-0.9525
214	G	A	0.0000
215	A	A	-1.0945
216	R	A	-1.8166
217	T	A	0.0000
218	C	A	-1.8410
219	R	A	-2.1606
220	L	A	-1.7433
221	S	A	-1.5567
222	Y	A	0.0000
223	C	A	-0.5545
224	G	A	-1.4463
225	R	A	-2.4254
226	N	A	-2.4716
227	G	A	0.0000
228	I	A	0.0000
229	K	A	0.0000
230	F	A	0.0000
231	P	A	-0.8745
232	N	A	-0.6827
233	G	A	0.0000
234	E	A	0.0000
235	W	A	0.0000
236	V	A	0.0000
237	S	A	-0.8843
238	L	A	0.0000
239	D	A	-0.5065
240	V	A	-0.6186
241	K	A	-2.3712
242	T	A	-1.8732
243	R	A	-1.8227
244	I	A	0.0000
245	Q	A	-2.4440
246	E	A	-1.9733
247	K	A	0.0000
248	H	A	-1.6535
249	L	A	0.3667
250	L	A	0.4037
251	P	A	-0.5331
252	L	A	0.0000
253	F	A	0.0000
254	K	A	-2.9059
255	E	A	-3.0625
256	C	A	-1.9685
257	P	A	-1.2466
258	A	A	-0.7413
259	G	A	-0.9570
260	T	A	-1.3002
261	E	A	-2.0298
262	V	A	-1.0773
263	R	A	-0.8851
264	S	A	0.0000
265	T	A	0.0000
266	L	A	0.0000
267	Q	A	0.0000
268	S	A	-0.3044
269	D	A	-0.5180
270	G	A	-0.2069
271	A	A	0.1174
272	Q	A	0.3299
273	V	A	1.6675
274	L	A	0.9149
275	T	A	0.0000
276	S	A	-0.2466
277	E	A	-0.7870
278	I	A	-0.4389
279	Q	A	-0.6936
280	R	A	0.0000
281	I	A	-0.1171
282	L	A	0.0000
283	D	A	-0.2815
284	Y	A	0.0000
285	S	A	0.0000
286	L	A	0.0000
287	C	A	0.0000
288	Q	A	-1.0729
289	N	A	-1.9065
290	T	A	0.0000
291	W	A	0.0000
292	D	A	-2.7502
293	K	A	-3.1677
294	V	A	0.0000
295	E	A	-4.1045
296	R	A	-4.2926
297	K	A	-3.9686
298	E	A	-2.9544
299	P	A	-1.8302
300	L	A	0.0000
301	S	A	0.0000
302	P	A	0.0000
303	L	A	0.0000
304	D	A	-0.3484
305	L	A	0.0000
306	S	A	0.0000
307	Y	A	-0.1916
308	L	A	0.0000
309	A	A	0.0000
310	S	A	0.0000
311	K	A	-0.1896
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	-0.6636
323	N	A	-1.8858
324	G	A	-1.5304
325	T	A	-1.0068
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	-0.5514
333	Y	A	0.0000
334	V	A	0.0000
335	R	A	0.0000
336	M	A	0.0000
337	W	A	-0.7363
338	I	A	0.0000
339	D	A	-1.8541
340	G	A	-0.7621
341	P	A	-0.0143
342	V	A	-0.4922
343	L	A	0.0000
344	K	A	-2.8592
345	E	A	-3.0686
346	P	A	-2.0267
347	K	A	-2.6244
348	G	A	0.0000
349	K	A	-1.6074
350	R	A	-1.5883
351	E	A	-1.7468
352	S	A	-0.9681
353	P	A	-0.5641
354	S	A	-0.3189
355	G	A	-0.3030
356	I	A	0.7792
357	S	A	-0.4935
358	S	A	-1.0983
359	D	A	-2.2971
360	I	A	0.0000
361	W	A	0.0000
362	T	A	-0.8231
363	Q	A	-0.8392
364	W	A	-0.4944
365	F	A	-0.6091
366	K	A	-2.2831
367	Y	A	0.0000
368	G	A	-1.8631
369	D	A	-2.5425
370	M	A	0.0000
371	E	A	-1.4872
372	I	A	0.0000
373	G	A	0.0000
374	P	A	0.0000
375	N	A	-0.1126
376	G	A	0.0000
377	L	A	0.0000
378	L	A	0.0000
379	K	A	-1.1257
380	T	A	-0.9241
381	A	A	-0.6528
382	G	A	-0.6277
383	G	A	-1.1393
384	Y	A	-1.0097
385	K	A	0.0000
386	F	A	0.0000
387	P	A	0.0000
388	W	A	0.0693
389	H	A	0.1384
390	L	A	0.3791
391	I	A	0.0000
392	G	A	0.0000
393	M	A	0.1839
394	G	A	0.0000
395	I	A	0.4747
396	V	A	0.0000
397	D	A	-0.9796
398	N	A	-1.6894
399	E	A	-1.5142
400	L	A	0.0000
401	H	A	-0.9180
402	E	A	-0.9738
403	L	A	-0.1622
404	S	A	-1.1031
405	E	A	-2.8106
406	A	A	0.0000
407	N	A	-2.2109
408	P	A	-1.7527
409	L	A	-1.0830
410	D	A	-2.2348
411	H	A	-1.1051
412	P	A	-0.6066
413	Q	A	0.0000
414	L	A	0.0128
415	P	A	-0.5085
416	H	A	-0.8249
417	A	A	-0.1896
2	L	B	0.7662
3	S	B	-0.0254
4	I	B	0.0000
5	A	B	-0.3388
6	F	B	0.0000
7	P	B	0.0000
8	E	B	-1.9725
9	N	B	-1.9475
10	T	B	-1.7384
11	K	B	-2.2971
12	L	B	0.0000
13	D	B	-1.5147
14	W	B	-0.5919
15	K	B	0.0000
16	P	B	-0.2237
17	V	B	0.0000
18	T	B	-0.8916
19	K	B	-2.0597
20	N	B	-1.5909
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	0.0000
29	E	B	0.0000
30	W	B	1.2375
31	F	B	1.9865
32	L	B	0.0000
33	E	B	-0.2793
34	P	B	0.1213
35	G	B	-0.9422
36	L	B	-1.6843
37	Q	B	-3.0691
38	E	B	-3.4850
39	E	B	-2.5327
40	S	B	-1.0605
41	F	B	0.0000
42	L	B	0.8036
43	S	B	0.0000
44	S	B	0.0378
45	T	B	0.0880
46	P	B	0.0000
47	I	B	0.4562
48	G	B	-0.2361
49	A	B	-0.7924
50	T	B	-0.0897
51	P	B	-0.5882
52	S	B	-0.6262
53	K	B	-1.0507
54	S	B	0.0000
55	D	B	-1.3738
56	G	B	0.0000
57	F	B	0.0000
58	L	B	0.0113
59	C	B	0.0000
60	H	B	0.0000
61	A	B	0.0000
62	A	B	0.0000
63	K	B	-0.3095
64	W	B	-0.2992
65	V	B	0.0000
66	T	B	0.0000
67	T	B	-0.8278
68	C	B	0.0000
69	D	B	0.7459
70	F	B	1.2140
71	R	B	0.7208
72	W	B	1.5831
73	Y	B	1.4375
74	G	B	0.4547
75	P	B	-0.1994
76	K	B	-0.1096
77	Y	B	0.7627
78	I	B	0.8890
79	T	B	-0.2733
80	H	B	-0.8646
81	S	B	-0.6493
82	I	B	-0.1784
83	H	B	-0.8375
84	N	B	-0.4154
85	I	B	0.0130
86	K	B	-1.5767
87	P	B	0.0000
88	T	B	-1.5275
89	R	B	-2.4664
90	S	B	-1.6541
91	D	B	-1.4726
92	C	B	0.0000
93	D	B	-1.3625
94	T	B	-0.9196
95	A	B	0.0000
96	L	B	0.0000
97	A	B	-0.6755
98	S	B	-0.1450
99	Y	B	-0.1088
100	K	B	-1.6000
101	S	B	-1.0108
102	G	B	-0.5555
103	T	B	0.1779
104	L	B	1.2111
105	V	B	2.2589
106	S	B	1.5613
107	L	B	1.9605
108	G	B	1.0557
109	F	B	0.3180
110	P	B	0.0000
111	P	B	-1.1220
112	E	B	-2.2160
113	S	B	-1.3416
114	C	B	0.1356
115	G	B	0.8000
116	Y	B	1.6356
117	A	B	1.2165
118	S	B	1.0175
119	V	B	1.5270
120	T	B	-0.1051
121	D	B	-2.1833
122	S	B	-1.9131
123	E	B	-1.6515
124	F	B	0.7406
125	L	B	1.0074
126	V	B	0.0000
127	I	B	0.4917
128	M	B	0.6051
129	I	B	0.0000
130	T	B	0.0669
131	P	B	-0.3346
132	H	B	0.0000
133	H	B	-0.8835
134	V	B	0.0000
135	G	B	0.0000
136	V	B	0.0000
137	D	B	0.0000
138	D	B	-0.3798
139	Y	B	0.0000
140	R	B	-1.6988
141	G	B	0.0000
142	H	B	-1.8000
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	1.0242
150	G	B	0.1670
151	G	B	0.1735
152	E	B	-1.0321
153	C	B	-1.4640
154	D	B	-2.6876
155	Q	B	-2.3298
156	S	B	-1.2563
157	Y	B	-1.0346
158	C	B	0.0000
159	D	B	-1.5288
160	T	B	0.0000
161	I	B	-0.0513
162	H	B	0.0000
163	N	B	-1.6198
164	S	B	0.0000
165	S	B	0.0000
166	V	B	-0.9598
167	W	B	0.0000
168	I	B	0.0000
169	P	B	0.0000
170	A	B	-1.2177
171	D	B	-2.1839
172	Q	B	-2.0344
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