Project name: NOTCH3_WT_5

Chain sequence(s)	A: MGPGARGRRRRRRPMSPPPPPPPVRALPLLLLLAGPGAAAPPCLDGSPCANGGRCTQLPSREAACLCPPGWVGERCQLEDPCHSGPCAGRGVCQSSVVAGTARFSCRCPRGFRGPDCSLPDPCLSSPCAHGARCSVGPDGRFLCSCPPGYQGRSCRSDVDECRVGEPCRHGGTCLNTPGSFRCQCPAGYTGPLCENPAVPCAPSPCRNGGTCRQSGDLTYDCACLPGFEGQNCEVNVDDCPGHRCLNGGTCVDGVNTYNCQCPPEWTGQFCTEDVDECQLQPNACHNGGTCFNTLGGHSCVCVNGWTGESCSQNIDDCATAVCFHGATCHDRVASFYCACPMGKTGLLCHLDDACVSNPCHEDAICDTNPVNGRAICTCPPGFTGGACDQDVDECSIGANPCEHLGRCVNTQGSFLCQCGRGYTGPRCETDVNECLSGPCRNQATCLDRIGQFTCICMAGFTGTYCEVDIDECQSSPCVNGGVCKDRVNGFSCTCPSGFSGSTCQLDVDECASTPCRNGAKCVDQPDGYECRCAEGFEGTLCDRNVDDCSPDPCHHGRCVDGIASFSCACAPGYTGTRCESQVDECRSQPCRHGGKCLDLVDKYLCRCPSGTTGVNCEVNIDDCASNPCTFGVCRDGINRYDCVCQPGFTGPLCNVEINECASSPCGEGGSCVDGENGFRCLCPPGSLPPLCLPPSHPCAHEPCSHGICYDAPGGFRCVCEPGWSGPRCSQSLARDACESQPCRAGGTCSSDGMGFHCTCPPGVQGRQCELLSPCTPNPCEHGGRCESAPGQLPVCSCPQGWQGPRCQQDVDECAGPAPCGPHGICTNLAGSFSCTCHGGYTGPSCDQDINDCDPNPCLNGGSCQDGVGSFSCSCLPGFAGPRCARDVDECLSNPCGPGTCTDHVASFTCTCPPGYGGFHCEQDLPDCSPSSCFNGGTCVDGVNSFSCLCRPGYTGAHCQHEADPCLSRPCLHGGVCSAAHPGFRCTCLESFTGPQCQTLVDWCSRQPCQNGGRCVQTGAYCLCPPGWSGRLCDIRSLPCREAAAQIGVRLEQLCQAGGQCVDEDSSHYCVCPEGRTGSHCEQEVDPCLAQPCQHGGTCRGYMGGYMCECLPGYNGDNCEDDVDECASQPCQHGGSCIDLVARYLCSCPPGTLGVLCEINEDDCGPGPPLDSGPRCLHNGTCVDLVGGFRCTCPPGYTGLRCEADINECRSGACHAAHTRDCLQDPGGGFRCLCHAGFSGPRCQTVLSPCESQPCQHGGQCRPSPGPGGGLTFTCHCAQPFWGPRCERVARSCRELQCPVGVPCQQTPRGPRCACPPGLSGPSCRSFPGSPPGASNASCAAAPCLHGGSCRPAPLAPFFRCACAQGWTGPRCEAPAAAPEVSEEPRCPRAACQAKRGDQRCDRECNSPGCGWDGGDCSLSVGDPWRQCEALQCWRLFNNSRCDPACSSPACLYDNFDCHAGGRERTCNPVYEKYCADHFADGRCDQGCNTEECGWDGLDCASEVPALLARGVLVLTVLLPPEELLRSSADFLQRLSAILRTSLRFRLDAHGQAMVFPYHRPSPGSEPRARRELAPEVIGSVVMLEIDNRLCLQSPENDHCFPDAQSAADYLGALSAVERLDFPYPLRDVRGEPLEPPEPSVPLLPLLVAGAVLLLVILVLGVMVARRKREHSTLWFPEGFSLHKDVASGHKGRREPVGQDALGMKNMAKGESLMGEVATDWMDTECPEAKRLKVEEPGMGAEEAVDCRQWTQHHLVAADIRVAPAMALTPPQGDADADGMDVNVRGPDGFTPLMLASFCGGALEPMPTEEDEADDTSASIISDLICQGAQLGARTDRTGETALHLAARYARADAAKRLLDAGADTNAQDHSGRTPLHTAVTADAQGVFQILIRNRSTDLDARMADGSTALILAARLAVEGMVEELIASHADVNAVDELGKSALHWAAAVNNVEATLALLKNGANKDMQDSKEETPLFLAAREGSYEAAKLLLDHFANREITDHLDRLPRDVAQERLHQDIVRLLDQPSGPRSPPGPHGLGPLLCPPGAFLPGLKAAQSGSKKSRRPPGKAGLGPQGPRGRGKKLTLACPGPLADSSVTLSPVDSLDSPRPFGGPPASPGGFPLEGPYAAATATAVSLAQLGGPGRAGLGRQPPGGCVLSLGLLNPVAVPLDWARLPPPAPPGPSFLLPLAPGPQLLNPGTPVSPQERPPPYLAVPGHGEEYPAAGAHSSPPKARFLRVPSEHPYLTPSPESPEHWASPSPPSLSDWSESTPSPATATGAMATTTGALPAQPLPLSVPSSLAQAQTQLGPQPEVTPKRQVLA
Selected Chain(s)	A
Distance of aggregation	5 Å
FoldX usage	Yes
Dynamic mode	No
Automated mutations	No

Simulation log

[INFO]       Logger:   Verbosity set to: 2 - [INFO]                                                (00:00:01)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:01)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:04)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:24:22)
[INFO]       Main:     Simulation completed successfully.                                          (00:25:40)

• Minimal score value: -2.6613
• Maximal score value: 2.6752
• Average score: -0.2788
• Total score value: -647.0608

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	0.9682
2	G	A	-0.3215
3	P	A	-0.4279
4	G	A	-0.5027
5	A	A	-0.3672
6	R	A	-1.9195
7	G	A	-1.1364
8	R	A	-2.2637
9	R	A	-2.5092
10	R	A	-2.5650
11	R	A	-2.6613
12	R	A	-2.6135
13	R	A	-2.2351
14	P	A	-0.4009
15	M	A	0.9665
16	S	A	-0.0585
17	P	A	-0.3406
18	P	A	-0.3510
19	P	A	-0.3501
20	P	A	-0.3463
21	P	A	-0.3481
22	P	A	-0.3483
23	P	A	0.0237
24	V	A	1.3906
25	R	A	-1.5108
26	A	A	0.0011
27	L	A	1.5120
28	P	A	0.3140
29	L	A	1.7874
30	L	A	2.1222
31	L	A	2.1246
32	L	A	2.1249
33	L	A	1.8464
34	A	A	0.2628
35	G	A	-0.5019
36	P	A	-0.4271
37	G	A	-0.5032
38	A	A	-0.0170
39	A	A	0.0751
40	A	A	0.0137
41	P	A	-0.1935
42	P	A	-0.2125
43	C	A	0.4500
44	L	A	1.2643
45	D	A	-1.5965
46	G	A	-0.8193
47	S	A	-0.2382
48	P	A	-0.0416
49	C	A	-0.0618
50	A	A	-0.1198
51	N	A	-0.9460
52	G	A	-0.6230
53	G	A	0.0000
54	R	A	-1.8441
55	C	A	0.0000
56	T	A	-0.2393
57	Q	A	-1.0979
58	L	A	0.2935
59	P	A	-0.1924
60	S	A	-0.5848
61	R	A	-2.1597
62	E	A	-1.8545
63	A	A	0.0000
64	A	A	0.0258
65	C	A	0.3737
66	L	A	1.6071
67	C	A	0.5106
68	P	A	-0.0709
69	P	A	-0.2801
70	G	A	-0.0926
71	W	A	0.0569
72	V	A	0.2838
73	G	A	-0.3610
74	E	A	-2.0153
75	R	A	-1.3342
76	C	A	0.0000
77	Q	A	-0.5490
78	L	A	-0.1829
79	E	A	-1.7816
80	D	A	-0.5897
81	P	A	-0.0717
82	C	A	-0.0770
83	H	A	-1.0091
84	S	A	-0.4765
85	G	A	-0.5158
86	P	A	-0.1327
87	C	A	-0.0002
88	A	A	0.0032
89	G	A	-0.5342
90	R	A	-1.8932
91	G	A	-0.0474
92	V	A	1.7835
93	C	A	0.3697
94	Q	A	-0.4769
95	S	A	-0.1006
96	S	A	-0.1051
97	V	A	0.8892
98	V	A	1.8941
99	A	A	0.2981
100	G	A	-0.4650
101	T	A	-0.1354
102	A	A	0.0000
103	R	A	-1.6677
104	F	A	0.2517
105	S	A	-0.0793
106	C	A	-0.2864
107	R	A	-1.7872
108	C	A	-0.1412
109	P	A	-0.3497
110	R	A	-1.8625
111	G	A	-0.2678
112	F	A	0.6749
113	R	A	-0.2659
114	G	A	-0.2576
115	P	A	-0.3951
116	D	A	-0.6775
117	C	A	0.0000
118	S	A	-0.0113
119	L	A	0.7196
120	P	A	-0.0475
121	D	A	-0.2901
122	P	A	-0.0761
123	C	A	0.3145
124	L	A	1.3479
125	S	A	-0.0002
126	S	A	-0.2591
127	P	A	-0.0702
128	C	A	0.0673
129	A	A	-0.1216
130	H	A	-0.8899
131	G	A	-0.6102
132	A	A	-0.3990
133	R	A	-1.8052
134	C	A	-0.1717
135	S	A	-0.0495
136	V	A	0.6730
137	G	A	0.0339
138	P	A	-0.5872
139	D	A	-1.8462
140	G	A	-0.7127
141	R	A	-1.7876
142	F	A	0.2432
143	L	A	0.8226
144	C	A	0.2161
145	S	A	-0.1620
146	C	A	0.1301
147	P	A	-0.0826
148	P	A	-0.2793
149	G	A	-0.0990
150	Y	A	-0.1860
151	Q	A	-1.2594
152	G	A	-1.0316
153	R	A	-1.9399
154	S	A	-0.3745
155	C	A	0.0000
156	R	A	-1.8836
157	S	A	-0.6948
158	D	A	-0.6989
159	V	A	0.1923
160	D	A	-0.3806
161	E	A	-0.8780
162	C	A	-0.3576
163	R	A	-1.4983
164	V	A	1.4008
165	G	A	-0.2012
166	E	A	-1.8664
167	P	A	-0.3892
168	C	A	0.0000
169	R	A	-1.9899
170	H	A	-1.2219
171	G	A	-0.6215
172	G	A	-0.1271
173	T	A	-0.0584
174	C	A	0.2344
175	L	A	0.5087
176	N	A	-0.3981
177	T	A	-0.1111
178	P	A	-0.2695
179	G	A	-0.1586
180	S	A	-0.0952
181	F	A	-0.0570
182	R	A	-1.7543
183	C	A	-0.4598
184	Q	A	-1.1402
185	C	A	-0.0261
186	P	A	-0.0550
187	A	A	0.0177
188	G	A	-0.0317
189	Y	A	0.3325
190	T	A	0.0207
191	G	A	-0.2212
192	P	A	-0.2060
193	L	A	0.4024
194	C	A	0.0000
195	E	A	-0.7308
196	N	A	-1.3421
197	P	A	-0.4134
198	A	A	0.3011
199	V	A	1.5784
200	P	A	0.2904
201	C	A	0.1332
202	A	A	-0.0116
203	P	A	-0.2681
204	S	A	-0.1782
205	P	A	-0.0663
206	C	A	-0.3016
207	R	A	-1.9900
208	N	A	-1.2871
209	G	A	-0.6295
210	G	A	-0.1144
211	T	A	-0.0605
212	C	A	-0.2474
213	R	A	-2.0517
214	Q	A	-1.5220
215	S	A	-0.4090
216	G	A	-0.5267
217	D	A	-1.5815
218	L	A	0.9847
219	T	A	0.2410
220	Y	A	-0.1176
221	D	A	-1.7091
222	C	A	0.0000
223	A	A	0.0654
224	C	A	0.3935
225	L	A	0.9101
226	P	A	-0.0990
227	G	A	-0.2943
228	F	A	-0.1726
229	E	A	-1.8296
230	G	A	-0.8346
231	Q	A	-1.2865
232	N	A	-0.4120
233	C	A	0.0000
234	E	A	-0.6143
235	V	A	1.0057
236	N	A	-0.0130
237	V	A	0.3624
238	D	A	-1.7873
239	D	A	-1.0838
240	C	A	-0.0929
241	P	A	-0.3241
242	G	A	-0.5995
243	H	A	-0.8973
244	R	A	-1.9309
245	C	A	0.0000
246	L	A	1.2696
247	N	A	-0.6357
248	G	A	-0.6207
249	G	A	-0.1144
250	T	A	-0.0616
251	C	A	0.2520
252	V	A	0.7699
253	D	A	-0.4900
254	G	A	0.1321
255	V	A	1.5242
256	N	A	-0.9711
257	T	A	-0.2405
258	Y	A	-0.1167
259	N	A	-1.2172
260	C	A	-0.3659
261	Q	A	-1.1445
262	C	A	-0.0297
263	P	A	-0.0678
264	P	A	-0.3959
265	E	A	-0.7588
266	W	A	-0.0357
267	T	A	-0.0455
268	G	A	-0.4203
269	Q	A	-1.1858
270	F	A	0.0508
271	C	A	0.0000
272	T	A	-0.3901
273	E	A	-1.9145
274	D	A	-0.7423
275	V	A	-0.0737
276	D	A	-0.9304
277	E	A	-0.3763
278	C	A	-0.1724
279	Q	A	-0.8957
280	L	A	1.0708
281	Q	A	-0.9630
282	P	A	-0.7003
283	N	A	-1.3178
284	A	A	-0.2231
285	C	A	0.0000
286	H	A	-1.0496
287	N	A	-1.0648
288	G	A	-0.6244
289	G	A	-0.1287
290	T	A	-0.0447
291	C	A	0.4704
292	F	A	1.7439
293	N	A	-0.3270
294	T	A	0.0710
295	L	A	1.5058
296	G	A	0.0289
297	G	A	-0.1882
298	H	A	-0.5164
299	S	A	-0.2541
300	C	A	0.4004
301	V	A	1.8255
302	C	A	0.6779
303	V	A	0.7257
304	N	A	-1.1038
305	G	A	0.0000
306	W	A	0.1273
307	T	A	-0.0364
308	G	A	-0.5592
309	E	A	-1.8760
310	S	A	-0.4131
311	C	A	0.0000
312	S	A	-0.4314
313	Q	A	-1.3034
314	N	A	-0.3966
315	I	A	0.4926
316	D	A	-1.7109
317	D	A	-0.7721
318	C	A	0.0508
319	A	A	0.0681
320	T	A	-0.0585
321	A	A	0.3069
322	V	A	1.6287
323	C	A	0.6232
324	F	A	0.8320
325	H	A	-0.8943
326	G	A	-0.6439
327	A	A	-0.0597
328	T	A	-0.0384
329	C	A	0.0874
330	H	A	-0.4197
331	D	A	-0.8056
332	R	A	-1.6663
333	V	A	1.1349
334	A	A	0.2762
335	S	A	-0.2293
336	F	A	0.4809
337	Y	A	1.0931
338	C	A	0.0000
339	A	A	0.0760
340	C	A	0.2688
341	P	A	0.1522
342	M	A	1.0207
343	G	A	-0.0412
344	K	A	-0.8821
345	T	A	-0.1311
346	G	A	0.1824
347	L	A	1.5886
348	L	A	0.5806
349	C	A	0.0000
350	H	A	-0.4052
351	L	A	-0.1721
352	D	A	-1.8888
353	D	A	-0.7727
354	A	A	-0.0384
355	C	A	0.3934
356	V	A	1.6102
357	S	A	-0.1439
358	N	A	-1.3322
359	P	A	-0.3330
360	C	A	0.0204
361	H	A	-0.5227
362	E	A	-2.0460
363	D	A	-1.3690
364	A	A	0.2118
365	I	A	2.0430
366	C	A	0.2140
367	D	A	-1.7605
368	T	A	0.0000
369	N	A	-0.3990
370	P	A	0.0028
371	V	A	1.4981
372	N	A	-0.9697
373	G	A	-0.6602
374	R	A	-1.8609
375	A	A	-0.1883
376	I	A	0.8275
377	C	A	0.2498
378	T	A	-0.0155
379	C	A	0.1864
380	P	A	-0.0377
381	P	A	-0.2692
382	G	A	-0.0367
383	F	A	0.1603
384	T	A	-0.1859
385	G	A	-0.4784
386	G	A	-0.5324
387	A	A	-0.0495
388	C	A	0.0000
389	D	A	-2.0064
390	Q	A	-1.6055
391	D	A	-0.5694
392	V	A	0.0434
393	D	A	-0.8824
394	E	A	-0.4580
395	C	A	0.0555
396	S	A	0.1794
397	I	A	1.8877
398	G	A	-0.0831
399	A	A	-0.2401
400	N	A	-1.1600
401	P	A	-0.2396
402	C	A	0.0000
403	E	A	-1.5308
404	H	A	-0.5646
405	L	A	1.4422
406	G	A	0.0000
407	R	A	-1.9675
408	C	A	0.0000
409	V	A	0.4637
410	N	A	-0.2383
411	T	A	-0.2619
412	Q	A	-1.2162
413	G	A	-0.3236
414	S	A	-0.0573
415	F	A	0.7096
416	L	A	1.3244
417	C	A	0.0742
418	Q	A	-1.3290
419	C	A	-0.0323
420	G	A	-0.6027
421	R	A	-1.9101
422	G	A	-0.1947
423	Y	A	0.0317
424	T	A	-0.0365
425	G	A	-0.2052
426	P	A	-0.5157
427	R	A	-1.3530
428	C	A	0.0000
429	E	A	-1.0074
430	T	A	-0.4278
431	D	A	-0.9834
432	V	A	0.1840
433	N	A	-0.8687
434	E	A	-0.8682
435	C	A	0.2706
436	L	A	1.5318
437	S	A	-0.0144
438	G	A	-0.5106
439	P	A	-0.1002
440	C	A	-0.1633
441	R	A	-1.9532
442	N	A	-1.2373
443	Q	A	-1.3198
444	A	A	-0.1992
445	T	A	-0.0413
446	C	A	0.2528
447	L	A	0.4333
448	D	A	-0.9853
449	R	A	-1.3912
450	I	A	1.2731
451	G	A	0.0000
452	Q	A	-1.2635
453	F	A	0.0688
454	T	A	0.0576
455	C	A	0.2181
456	I	A	0.7716
457	C	A	0.4571
458	M	A	0.6151
459	A	A	0.1528
460	G	A	-0.2539
461	F	A	0.0000
462	T	A	-0.0854
463	G	A	-0.2598
464	T	A	0.0150
465	Y	A	0.7132
466	C	A	0.0000
467	E	A	-0.5136
468	V	A	0.7103
469	D	A	-1.4271
470	I	A	0.1354
471	D	A	-1.8409
472	E	A	-1.3909
473	C	A	-0.3159
474	Q	A	-1.2196
475	S	A	-0.4673
476	S	A	-0.2594
477	P	A	-0.0731
478	C	A	0.2581
479	V	A	0.9323
480	N	A	-0.7930
481	G	A	-0.6400
482	G	A	0.2013
483	V	A	1.7875
484	C	A	0.2193
485	K	A	-1.7243
486	D	A	-2.2903
487	R	A	-1.8425
488	V	A	1.2039
489	N	A	-0.9776
490	G	A	-0.1985
491	F	A	0.5085
492	S	A	0.1184
493	C	A	0.1056
494	T	A	0.0054
495	C	A	0.1460
496	P	A	-0.1049
497	S	A	-0.2420
498	G	A	-0.2883
499	F	A	-0.0029
500	S	A	0.0183
501	G	A	-0.4095
502	S	A	-0.2790
503	T	A	-0.0434
504	C	A	0.0000
505	Q	A	-0.9611
506	L	A	0.7610
507	D	A	-1.3898
508	V	A	0.0274
509	D	A	-1.8330
510	E	A	-1.2378
511	C	A	-0.0582
512	A	A	0.0380
513	S	A	-0.2149
514	T	A	-0.1087
515	P	A	0.0000
516	C	A	0.0000
517	R	A	-1.5746
518	N	A	-1.2616
519	G	A	-0.6297
520	A	A	-0.3538
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525	Q	A	-1.5640
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532	R	A	-1.7825
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536	G	A	-0.3296
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543	D	A	-2.1207
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578	R	A	-1.0151
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580	E	A	-1.7249
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607	R	A	-1.7969
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613	T	A	-0.0796
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618	E	A	-0.3715
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620	N	A	-0.1492
621	I	A	1.3145
622	D	A	-1.5984
623	D	A	-1.0708
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625	A	A	0.0206
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627	N	A	-1.3198
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629	C	A	0.1447
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631	F	A	1.1228
632	G	A	0.3309
633	V	A	1.5238
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635	R	A	-1.9221
636	D	A	-0.7727
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639	N	A	-1.5176
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655	N	A	-1.0797
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674	D	A	-1.6005
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735	R	A	-2.1036
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1153	L	A	0.5984
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1177	L	A	0.1822
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1190	R	A	-1.7677
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1194	P	A	-0.0778
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1197	Y	A	0.1272
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1199	G	A	0.1492
1200	L	A	1.4914
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1471	Y	A	1.4390
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1499	D	A	-0.0882
1500	C	A	0.1753
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1503	E	A	-1.7967
1504	V	A	-0.0353
1505	P	A	-0.1830
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1510	R	A	-1.9140
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1526	R	A	-1.7622
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1556	F	A	1.0180
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1597	N	A	-1.7144
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1621	D	A	-1.7001
1622	F	A	-0.1717
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1625	P	A	-0.0876
1626	L	A	0.0861
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1630	R	A	-1.7072
1631	G	A	-0.6957
1632	E	A	-1.5117
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1634	L	A	0.2653
1635	E	A	-1.7462
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1638	E	A	-1.9147
1639	P	A	-0.5287
1640	S	A	-0.0973
1641	V	A	0.7582
1642	P	A	0.1912
1643	L	A	1.7845
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1645	P	A	0.5449
1646	L	A	1.8038
1647	L	A	2.0570
1648	V	A	1.7110
1649	A	A	0.5344
1650	G	A	0.0041
1651	A	A	0.4954
1652	V	A	1.6912
1653	L	A	2.0591
1654	L	A	2.2382
1655	L	A	2.2536
1656	V	A	1.7468
1657	I	A	2.6752
1658	L	A	2.2807
1659	V	A	2.2873
1660	L	A	1.5085
1661	G	A	0.4504
1662	V	A	1.8255
1663	M	A	1.0964
1664	V	A	1.8504
1665	A	A	0.0486
1666	R	A	-2.1685
1667	R	A	-2.4908
1668	K	A	-2.3818
1669	R	A	-2.5061
1670	E	A	-2.3523
1671	H	A	-1.3651
1672	S	A	-0.4089
1673	T	A	0.1728
1674	L	A	1.7556
1675	W	A	1.8310
1676	F	A	2.1413
1677	P	A	-0.0741
1678	E	A	-1.9219
1679	G	A	-0.4441
1680	F	A	1.8174
1681	S	A	0.4324
1682	L	A	1.3261
1683	H	A	-1.0191
1684	K	A	-2.2131
1685	D	A	-1.7807
1686	V	A	1.4576
1687	A	A	0.3416
1688	S	A	-0.2880
1689	G	A	-0.6869
1690	H	A	-1.3960
1691	K	A	-1.9727
1692	G	A	-1.1162
1693	R	A	-2.2640
1694	R	A	-2.5161
1695	E	A	-2.2076
1696	P	A	-0.2629
1697	V	A	1.6416
1698	G	A	-0.3647
1699	Q	A	-1.6160
1700	D	A	-2.0007
1701	A	A	0.0094
1702	L	A	1.4724
1703	G	A	0.0125
1704	M	A	0.6569
1705	K	A	-1.7400
1706	N	A	-1.3941
1707	M	A	0.8352
1708	A	A	-0.0541
1709	K	A	-1.7754
1710	G	A	-1.1085
1711	E	A	-1.9435
1712	S	A	-0.2597
1713	L	A	1.7045
1714	M	A	1.2499
1715	G	A	-0.5903
1716	E	A	-1.5668
1717	V	A	1.4363
1718	A	A	0.3735
1719	T	A	-0.3834
1720	D	A	-1.5854
1721	W	A	1.0536
1722	M	A	0.9455
1723	D	A	-1.6104
1724	T	A	-0.7346
1725	E	A	-1.6929
1726	C	A	0.3364
1727	P	A	-0.4642
1728	E	A	-1.8570
1729	A	A	-0.5965
1730	K	A	-2.0357
1731	R	A	-1.8696
1732	L	A	0.8764
1733	K	A	-1.0653
1734	V	A	1.1034
1735	E	A	-1.8296
1736	E	A	-2.2086
1737	P	A	-0.6742
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1739	M	A	0.8779
1740	G	A	-0.2605
1741	A	A	-0.3664
1742	E	A	-2.1469
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1744	A	A	0.0417
1745	V	A	1.6341
1746	D	A	-0.3431
1747	C	A	0.4882
1748	R	A	-0.6157
1749	Q	A	-1.2002
1750	W	A	0.2954
1751	T	A	-0.1373
1752	Q	A	-1.2264
1753	H	A	-0.3602
1754	H	A	0.0000
1755	L	A	0.6507
1756	V	A	1.7382
1757	A	A	0.0000
1758	A	A	-0.1611
1759	D	A	-0.3972
1760	I	A	1.4988
1761	R	A	-1.3161
1762	V	A	0.5049
1763	A	A	0.1591
1764	P	A	-0.2355
1765	A	A	0.2008
1766	M	A	1.0748
1767	A	A	0.5427
1768	L	A	1.5455
1769	T	A	0.1685
1770	P	A	-0.3148
1771	P	A	-0.5189
1772	Q	A	-1.3307
1773	G	A	-1.0177
1774	D	A	-1.8644
1775	A	A	-0.6181
1776	D	A	-1.7674
1777	A	A	-0.6029
1778	D	A	-1.8653
1779	G	A	-0.7210
1780	M	A	0.0154
1781	D	A	-1.6832
1782	V	A	0.0000
1783	N	A	-0.4418
1784	V	A	0.0598
1785	R	A	-0.8369
1786	G	A	0.0000
1787	P	A	-0.1295
1788	D	A	-0.4135
1789	G	A	0.0000
1790	F	A	0.2853
1791	T	A	0.0000
1792	P	A	0.0000
1793	L	A	0.0000
1794	M	A	0.0000
1795	L	A	0.0000
1796	A	A	0.0000
1797	S	A	0.0000
1798	F	A	0.3460
1799	C	A	0.1175
1800	G	A	-0.4403
1801	G	A	0.0000
1802	A	A	0.3336
1803	L	A	1.2214
1804	E	A	-1.5802
1805	P	A	-0.3931
1806	M	A	0.9588
1807	P	A	-0.0716
1808	T	A	-0.4545
1809	E	A	-2.1642
1810	E	A	-2.4788
1811	D	A	-2.4514
1812	E	A	-2.1331
1813	A	A	-0.5822
1814	D	A	-2.1070
1815	D	A	-2.1220
1816	T	A	-0.3575
1817	S	A	-0.0485
1818	A	A	0.0000
1819	S	A	-0.0586
1820	I	A	0.2627
1821	I	A	0.0000
1822	S	A	-0.3722
1823	D	A	-1.7233
1824	L	A	0.0000
1825	I	A	0.4827
1826	C	A	0.4130
1827	Q	A	-1.0600
1828	G	A	-0.6650
1829	A	A	0.0000
1830	Q	A	-1.1519
1831	L	A	-0.0458
1832	G	A	-0.4141
1833	A	A	-0.2639
1834	R	A	-1.0491
1835	T	A	0.0000
1836	D	A	-2.1248
1837	R	A	-2.1733
1838	T	A	-0.3556
1839	G	A	0.0000
1840	E	A	0.0000
1841	T	A	0.0000
1842	A	A	0.0000
1843	L	A	0.0000
1844	H	A	0.0000
1845	L	A	0.0000
1846	A	A	0.0000
1847	A	A	0.0000
1848	R	A	-0.8301
1849	Y	A	0.2447
1850	A	A	0.1026
1851	R	A	0.0000
1852	A	A	-0.1322
1853	D	A	-0.8121
1854	A	A	0.0000
1855	A	A	0.0000
1856	K	A	-1.8557
1857	R	A	-1.1719
1858	L	A	0.0000
1859	L	A	-0.2083
1860	D	A	-1.7559
1861	A	A	-0.3835
1862	G	A	-0.4447
1863	A	A	-0.3854
1864	D	A	-1.7883
1865	T	A	0.0000
1866	N	A	-0.5812
1867	A	A	-0.2587
1868	Q	A	-0.8899
1869	D	A	0.0000
1870	H	A	-0.9972
1871	S	A	-0.2260
1872	G	A	-0.2616
1873	R	A	-0.7271
1874	T	A	0.0000
1875	P	A	0.0000
1876	L	A	0.0000
1877	H	A	0.0000
1878	T	A	0.0000
1879	A	A	0.0000
1880	V	A	0.0000
1881	T	A	-0.0198
1882	A	A	-0.3011
1883	D	A	-1.7855
1884	A	A	0.0000
1885	Q	A	-1.1718
1886	G	A	-0.4269
1887	V	A	0.0000
1888	F	A	0.0000
1889	Q	A	-0.1263
1890	I	A	0.2321
1891	L	A	0.0000
1892	I	A	-0.1279
1893	R	A	-1.8836
1894	N	A	-1.0845
1895	R	A	-1.9569
1896	S	A	-0.5484
1897	T	A	0.0000
1898	D	A	-1.1640
1899	L	A	-0.1848
1900	D	A	-0.8233
1901	A	A	-0.4075
1902	R	A	-1.4002
1903	M	A	-0.1489
1904	A	A	-0.0396
1905	D	A	-0.6175
1906	G	A	0.0000
1907	S	A	0.0000
1908	T	A	0.0000
1909	A	A	0.0000
1910	L	A	0.0000
1911	I	A	0.0000
1912	L	A	0.0000
1913	A	A	0.0000
1914	A	A	0.0000
1915	R	A	-0.2390
1916	L	A	0.8927
1917	A	A	0.2257
1918	V	A	0.0000
1919	E	A	-1.8696
1920	G	A	-0.6042
1921	M	A	0.0000
1922	V	A	0.0000
1923	E	A	-1.3587
1924	E	A	-0.8845
1925	L	A	0.0000
1926	I	A	0.2107
1927	A	A	0.0119
1928	S	A	-0.2343
1929	H	A	-1.0023
1930	A	A	0.0000
1931	D	A	-1.3965
1932	V	A	-0.1702
1933	N	A	-0.4875
1934	A	A	0.0279
1935	V	A	0.6287
1936	D	A	0.0000
1937	E	A	-1.7246
1938	L	A	0.1869
1939	G	A	0.0485
1940	K	A	-0.1817
1941	S	A	0.0000
1942	A	A	0.0000
1943	L	A	0.0000
1944	H	A	0.0000
1945	W	A	0.2069
1946	A	A	0.0000
1947	A	A	0.0000
1948	A	A	0.1874
1949	V	A	0.8201
1950	N	A	-0.2906
1951	N	A	-0.1185
1952	V	A	0.1272
1953	E	A	-1.7322
1954	A	A	0.0000
1955	T	A	0.0000
1956	L	A	0.4743
1957	A	A	0.0000
1958	L	A	0.0000
1959	L	A	-0.1456
1960	K	A	-1.9027
1961	N	A	-1.6665
1962	G	A	-0.6971
1963	A	A	0.0000
1964	N	A	-1.3296
1965	K	A	-0.8702
1966	D	A	-0.7241
1967	M	A	-0.0766
1968	Q	A	-0.7015
1969	D	A	0.0000
1970	S	A	-0.3437
1971	K	A	-1.0224
1972	E	A	-1.6156
1973	E	A	0.0000
1974	T	A	0.0000
1975	P	A	0.0000
1976	L	A	0.0000
1977	F	A	0.0000
1978	L	A	0.0000
1979	A	A	0.0000
1980	A	A	0.0000
1981	R	A	-0.6364
1982	E	A	-0.9840
1983	G	A	-0.3144
1984	S	A	0.0000
1985	Y	A	0.1090
1986	E	A	-1.3512
1987	A	A	0.0000
1988	A	A	0.0000
1989	K	A	-1.0852
1990	L	A	0.0212
1991	L	A	0.0000
1992	L	A	0.0606
1993	D	A	-1.8106
1994	H	A	-0.2625
1995	F	A	1.9087
1996	A	A	0.0000
1997	N	A	-0.7891
1998	R	A	-0.7704
1999	E	A	-1.8179
2000	I	A	-0.0067
2001	T	A	-0.1158
2002	D	A	0.0000
2003	H	A	-0.6687
2004	L	A	1.0597
2005	D	A	-1.6019
2006	R	A	-0.7462
2007	L	A	0.2188
2008	P	A	0.0000
2009	R	A	-1.1098
2010	D	A	-1.3538
2011	V	A	0.0000
2012	A	A	0.0000
2013	Q	A	-0.9158
2014	E	A	-2.2086
2015	R	A	-1.4701
2016	L	A	1.1818
2017	H	A	-0.0267
2018	Q	A	-0.8178
2019	D	A	-0.8675
2020	I	A	0.0000
2021	V	A	0.0000
2022	R	A	-2.0156
2023	L	A	0.0000
2024	L	A	0.0000
2025	D	A	-2.0508
2026	Q	A	-1.3920
2027	P	A	-0.4856
2028	S	A	-0.3472
2029	G	A	-0.5521
2030	P	A	-0.6755
2031	R	A	-1.9302
2032	S	A	-0.6030
2033	P	A	-0.3401
2034	P	A	-0.3682
2035	G	A	-0.4532
2036	P	A	-0.4997
2037	H	A	-1.1200
2038	G	A	-0.3632
2039	L	A	1.4000
2040	G	A	-0.0989
2041	P	A	-0.0330
2042	L	A	1.7858
2043	L	A	1.9660
2044	C	A	0.9663
2045	P	A	-0.1661
2046	P	A	-0.3936
2047	G	A	-0.5053
2048	A	A	0.3238
2049	F	A	2.2463
2050	L	A	1.8691
2051	P	A	-0.0588
2052	G	A	-0.2195
2053	L	A	1.1429
2054	K	A	-1.4025
2055	A	A	-0.2482
2056	A	A	-0.1570
2057	Q	A	-1.2287
2058	S	A	-0.5338
2059	G	A	-0.5470
2060	S	A	-0.6567
2061	K	A	-2.0701
2062	K	A	-2.0785
2063	S	A	-0.9844
2064	R	A	-2.2413
2065	R	A	-2.2537
2066	P	A	-0.6938
2067	P	A	-0.4092
2068	G	A	-0.8367
2069	K	A	-1.7718
2070	A	A	-0.4729
2071	G	A	-0.1602
2072	L	A	1.3453
2073	G	A	-0.1412
2074	P	A	-0.5949
2075	Q	A	-1.3504
2076	G	A	-0.7784
2077	P	A	-0.7167
2078	R	A	-1.9809
2079	G	A	-1.1459
2080	R	A	-2.0146
2081	G	A	-1.1159
2082	K	A	-2.1025
2083	K	A	-1.7290
2084	L	A	1.2179
2085	T	A	0.5107
2086	L	A	1.5454
2087	A	A	0.4869
2088	C	A	0.6957
2089	P	A	-0.2076
2090	G	A	-0.5609
2091	P	A	-0.0564
2092	L	A	1.5117
2093	A	A	0.0190
2094	D	A	-1.8194
2095	S	A	-0.5951
2096	S	A	0.0819
2097	V	A	1.7193
2098	T	A	0.5513
2099	L	A	1.4841
2100	S	A	0.1063
2101	P	A	0.0391
2102	V	A	1.3885
2103	D	A	-1.5014
2104	S	A	-0.2578
2105	L	A	1.1459
2106	D	A	-1.5215
2107	S	A	-0.6004
2108	P	A	-0.6726
2109	R	A	-1.9426
2110	P	A	-0.2411
2111	F	A	1.7778
2112	G	A	-0.0691
2113	G	A	-0.6037
2114	P	A	-0.3956
2115	P	A	-0.2964
2116	A	A	-0.0404
2117	S	A	-0.2453
2118	P	A	-0.4059
2119	G	A	-0.6167
2120	G	A	-0.1760
2121	F	A	1.8004
2122	P	A	0.4122
2123	L	A	1.1553
2124	E	A	-1.6233
2125	G	A	-0.8923
2126	P	A	-0.1092
2127	Y	A	1.2828
2128	A	A	0.3660
2129	A	A	0.0808
2130	A	A	0.0563
2131	T	A	-0.0481
2132	A	A	0.0316
2133	T	A	-0.0470
2134	A	A	0.3685
2135	V	A	1.7432
2136	S	A	0.4123
2137	L	A	1.5188
2138	A	A	0.0715
2139	Q	A	-0.9089
2140	L	A	1.2207
2141	G	A	-0.1776
2142	G	A	-0.6031
2143	P	A	-0.4319
2144	G	A	-0.8275
2145	R	A	-1.9097
2146	A	A	-0.4584
2147	G	A	-0.0791
2148	L	A	1.3510
2149	G	A	-0.6367
2150	R	A	-2.1819
2151	Q	A	-1.5934
2152	P	A	-0.5328
2153	P	A	-0.3898
2154	G	A	-0.5990
2155	G	A	-0.3842
2156	C	A	0.9423
2157	V	A	2.2294
2158	L	A	1.8792
2159	S	A	0.3670
2160	L	A	1.4101
2161	G	A	0.2241
2162	L	A	1.7122
2163	L	A	1.5276
2164	N	A	-0.9653
2165	P	A	-0.1715
2166	V	A	1.7395
2167	A	A	0.8137
2168	V	A	1.7332
2169	P	A	0.3776
2170	L	A	1.0893
2171	D	A	-1.2121
2172	W	A	0.8661
2173	A	A	-0.0667
2174	R	A	-1.5140
2175	L	A	1.1196
2176	P	A	-0.0090
2177	P	A	-0.3583
2178	P	A	-0.2971
2179	A	A	-0.0440
2180	P	A	-0.2915
2181	P	A	-0.3915
2182	G	A	-0.5669
2183	P	A	-0.3916
2184	S	A	0.1001
2185	F	A	2.1935
2186	L	A	2.2196
2187	L	A	1.7947
2188	P	A	0.3795
2189	L	A	1.5160
2190	A	A	0.3858
2191	P	A	-0.3382
2192	G	A	-0.5714
2193	P	A	-0.6278
2194	Q	A	-0.9525
2195	L	A	1.6357
2196	L	A	1.6380
2197	N	A	-1.0349
2198	P	A	-0.5685
2199	G	A	-0.5258
2200	T	A	-0.2039
2201	P	A	0.0735
2202	V	A	1.6796
2203	S	A	0.1085
2204	P	A	-0.5128
2205	Q	A	-1.6565
2206	E	A	-2.4230
2207	R	A	-2.2197
2208	P	A	-0.6476
2209	P	A	-0.3490
2210	P	A	-0.0638
2211	Y	A	1.5518
2212	L	A	1.7957
2213	A	A	0.7006
2214	V	A	1.7312
2215	P	A	0.0013
2216	G	A	-0.6942
2217	H	A	-1.1606
2218	G	A	-0.9848
2219	E	A	-2.2444
2220	E	A	-1.8494
2221	Y	A	0.8364
2222	P	A	0.0231
2223	A	A	0.0218
2224	A	A	-0.0204
2225	G	A	-0.4438
2226	A	A	-0.2122
2227	H	A	-1.0301
2228	S	A	-0.4891
2229	S	A	-0.3016
2230	P	A	-0.3427
2231	P	A	-0.6223
2232	K	A	-1.7371
2233	A	A	-0.5886
2234	R	A	-1.4838
2235	F	A	1.8879
2236	L	A	1.5608
2237	R	A	-1.2357
2238	V	A	1.3881
2239	P	A	0.0270
2240	S	A	-0.5971
2241	E	A	-2.0409
2242	H	A	-1.3701
2243	P	A	-0.1917
2244	Y	A	1.5552
2245	L	A	1.7786
2246	T	A	0.1672
2247	P	A	-0.3069
2248	S	A	-0.3056
2249	P	A	-0.6291
2250	E	A	-1.9060
2251	S	A	-0.5923
2252	P	A	-0.6265
2253	E	A	-2.0473
2254	H	A	-1.1050
2255	W	A	1.0164
2256	A	A	0.2372
2257	S	A	-0.2481
2258	P	A	-0.3318
2259	S	A	-0.3047
2260	P	A	-0.3388
2261	P	A	-0.3392
2262	S	A	0.0227
2263	L	A	1.4690
2264	S	A	-0.2676
2265	D	A	-1.6162
2266	W	A	0.8252
2267	S	A	-0.3267
2268	E	A	-1.8976
2269	S	A	-0.5604
2270	T	A	-0.1550
2271	P	A	-0.3063
2272	S	A	-0.3048
2273	P	A	-0.2823
2274	A	A	-0.0010
2275	T	A	-0.0497
2276	A	A	0.0328
2277	T	A	-0.1448
2278	G	A	-0.4686
2279	A	A	0.1619
2280	M	A	1.0747
2281	A	A	0.2418
2282	T	A	-0.0735
2283	T	A	-0.0977
2284	T	A	-0.1690
2285	G	A	-0.4686
2286	A	A	0.2581
2287	L	A	1.5132
2288	P	A	0.0301
2289	A	A	-0.2055
2290	Q	A	-1.2335
2291	P	A	-0.1895
2292	L	A	1.4562
2293	P	A	0.3012
2294	L	A	1.4623
2295	S	A	0.3957
2296	V	A	1.6870
2297	P	A	0.0303
2298	S	A	-0.2989
2299	S	A	0.1049
2300	L	A	1.5098
2301	A	A	0.1314
2302	Q	A	-1.1762
2303	A	A	-0.4020
2304	Q	A	-1.2016
2305	T	A	-0.5335
2306	Q	A	-0.9273
2307	L	A	1.2398
2308	G	A	-0.2225
2309	P	A	-0.5669
2310	Q	A	-1.2945
2311	P	A	-0.8236
2312	E	A	-1.5184
2313	V	A	1.4015
2314	T	A	0.2029
2315	P	A	-0.5862
2316	K	A	-2.0952
2317	R	A	-2.4111
2318	Q	A	-1.2513
2319	V	A	1.8674
2320	L	A	1.9203
2321	A	A	0.3571