A0A087X9A4_POEFO Loading...

SEC24 homolog D, COPII coat complex component

AlphaFold DB , UniProt , Accession A0A087X9A4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,058 aa.

						>A0A087X9A4_POEFO|A0A087X9A4
MSQQGYVAAPPYSQAQPGIGGYQGGFGAPPAQPLYGHYGGPPQGFNAPPAAGMMKSPPTSPAAMPPPPVSSQYNPSVQQNGAHPQRYASPSAASPPYGQPSHSVYNSMASPAPPTQQLANQMSAMNLGSYGKSHPPPPTSSAAQQHFQTPAPAMGQPQMHSAPAPHMASQNQMSPPQSPLTNMPASGQLMGGQSMTGPPMGAGPPMGGQSMTGPPMAGMNRPFPGPPPSGQGAFQQHGTGPTAPSGYPQQSGQFGGLMSGPQPGMPGAFPGSPGGLAGPPQKKLDPDSIPSTTQVIEDDKARLGGQVFSTNIRGQVPPLVTTDFTVQDQGNASPRFIRCTTYSLPCTAELAKQCQVPLASIIKPFAKLPKNETPLYVVNHGETGPIRCNRCKAYMCPYMQFIDGGRRYQCSFCNCVNEVPVFYFQHLDHMGRRVDFYERPELSLGSYEFVATLDYCKNNKPPNPPAYIFMIDVSYTNIKSGLVKLVCDELKTLLEKLPREDGAEASAIKVGFVTYNKVLHFYNVKSALAQPQMMVVSDIAEMFVPLLDGFLVNYQDSRAVIYNLLDQIPDMFADTNESETVFAPVIQAGVEAFKAAECSGKLFIFHSSMPTAEAPGKLKNRDDKKLVNTDKEKTLFQPQKGVYEQLSKDCVAQGCCVDLFLFPSQYLDLASMADVPSHTGGSVYKYNNFQVATDGEHFLRDLRKDLQKSLGFDAVMRVRTSTGFRATDFFGAIYMNNTTDVEMAAVDCDKAVTVEFKHDDALSEELGAFMQCALLYTTISGQRRLRIHNLSLNCTSQLSEMYKCCETDSLINFFAKSAYRAILNQPVKNVRDILVNQTAHMLACYRKNCASPSAASQLILPDSMKVFPVYMNSLMKTAPLVGSTELSTDDRAHQRLSVMAMGVEDSQLQLYPRLIPLHDVDASGEAVPAPVRCSEERLSDSGLFLLENGHAIFLWLGQASPPDLIQSLFNVPSLAHLQQEHMFTLPELDNPLSKKVRGIISELLEKRPNSMKLQIVRQRDKPEMLFRQLLVEDKGLHGGASYMDFLCYVHREIRQLLT
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	26.8	Very low	32	Very low	242 Å²	242	102.6 Å²	102.6	100%	1.192	59%	0.588	S	S	*	*				0	98.4	0	-74.7	172.4	166.3	0	0	107.5
2	S	26.7	Very low	31.7	Very low	118 Å²	118	110.4 Å²	110.4	83%	0.825	60%	0.603	S	S	*	*			trans	-174.4	69.8	-176.6	40	0	0	0	0	112.2
3	Q	26.3	Very low	31.4	Very low	198 Å²	198	109.6 Å²	109.6	93%	0.925	61%	0.611	S	S	*	*			trans	-121.4	88.5	157.8	-77.7	-168.8	-0.5	0	0	108.2
4	Q	31.9	Very low	31	Very low	202 Å²	202	114.9 Å²	114.9	94%	0.944	63%	0.628	S	S	*	*			trans	-105.8	99.2	167.4	-78.9	-179.8	-34.9	0	0	107.9
5	G	32.6	Very low	30.6	Very low	42 Å²	42	113.7 Å²	113.7	43%	0.433	64%	0.64	S	S	.	*			trans	-98.7	151	163.1	0	0	0	0	0	110.5	V7 A8	G5-V7 PolarHBondContact O-N 3Å; G5-V7 VanDerWaalsContact O-N 3.07Å; G5-A8 PolarHBondContact O-N 2.6Å
6	Y	43.8	Very low	30.3	Very low	45 Å²	45	117.9 Å²	117.9	18%	0.176	65%	0.653	C	S	.	*	T	Hydrogen-bonded Turn	trans	-19	101.8	161.4	-62.1	-93.2	0	0	0	113.9	A8 A351 Q355 V356 P357	Y6-A8 VanDerWaalsContact O-CA 3.29Å; Y6-A8 WeakPolarHBondContact O-CA 2.97Å; Y6-A8 PolarHBondContact O-N 2.94Å; Y6-A351 PolarHBondContact OH-O 2.89Å; Y6-Q355 WeakPolarHBondContact CE1-O 3.37Å; Y6-Q355 VanDerWaalsContact OH-C 3.29Å; Y6-Q355 WeakPolarHBondContact OH-CA 3.48Å; Y6-V356 PolarHBondContact OH-O 2.88Å; Y6-P357 HydrophobicContact CD1-CB 3.76Å; Y6-P357 HydrophobicContact CE1-CB 3.67Å; Y6-P357 HydrophobicContact CE1-CG 4.4Å
7	V	42.3	Very low	30.4	Very low	3 Å²	3	119.2 Å²	119.2	2%	0.018	67%	0.668	C	S	.	*	T	Hydrogen-bonded Turn	trans	27.7	45.6	-179	-152.8	0	0	0	0	114.8	G5 A9 A821 V830 I833 L834	G5-V7 PolarHBondContact O-N 3Å; G5-V7 VanDerWaalsContact O-N 3.07Å; V7-A9 PolarHBondContact O-N 3.18Å; V7-A821 HydrophobicContact CG1-CB 3.55Å; V7-V830 HydrophobicContact CG1-CG1 4.13Å; V7-I833 HydrophobicContact CB-CG2 4.34Å; V7-I833 HydrophobicContact CG1-CD1 4.36Å; V7-I833 HydrophobicContact CG1-CG2 4.44Å; V7-I833 HydrophobicContact CG2-CG2 3.91Å; V7-L834 HydrophobicContact CG2-CD2 4.34Å
8	A	34.6	Very low	30.3	Very low	49 Å²	49	116.4 Å²	116.4	41%	0.405	67%	0.67	S	S	.	*	P	Polyproline II helix	trans	-64.6	122.2	-157.8	0	0	0	0	0	113.1	G5 Y6 Q825	G5-A8 PolarHBondContact O-N 2.6Å; Y6-A8 VanDerWaalsContact O-CA 3.29Å; Y6-A8 WeakPolarHBondContact O-CA 2.97Å; Y6-A8 PolarHBondContact O-N 2.94Å; A8-Q825 PolarHBondContact O-NE2 3.01Å
9	A	33.1	Very low	30.2	Very low	34 Å²	34	119.9 Å²	119.9	28%	0.281	68%	0.684	S	S	.	*	P	Polyproline II helix	trans	-62	142.1	157.2	0	0	0	0	0	108.6	V7	V7-A9 PolarHBondContact O-N 3.18Å
10	P	26.2	Very low	30	Very low	79 Å²	79	117.6 Å²	117.6	51%	0.513	69%	0.688	S	S	.	*	P	Polyproline II helix	trans	-60.9	138.2	174.1	26.8	-33.7	0	0	0	109.5	Y12	P10-Y12 PolarHBondContact O-N 2.98Å
11	P	27.8	Very low	30	Very low	117 Å²	117	115.5 Å²	115.5	76%	0.76	69%	0.691	S	S	*	*	P	Polyproline II helix	trans	-63.5	126.2	-177.4	25.6	-34	0	0	0	110.2	S13	P11-S13 PolarHBondContact O-N 2.89Å
12	Y	28.6	Very low	29.9	Very low	196 Å²	196	115.5 Å²	115.5	77%	0.769	68%	0.68	S	S	*	*			trans	-67.9	114.4	171.7	-118.5	-95.3	0	0	0	109	P10	P10-Y12 PolarHBondContact O-N 2.98Å
13	S	27.5	Very low	30	Very low	100 Å²	100	119.4 Å²	119.4	70%	0.699	69%	0.685	S	S	*	*			trans	40.1	85.9	163.7	54	0	0	0	0	116.6	P11 A15	P11-S13 PolarHBondContact O-N 2.89Å; S13-A15 PolarHBondContact O-N 3.2Å; S13-A15 VanDerWaalsContact O-N 3.15Å
14	Q	25.8	Very low	30.1	Very low	183 Å²	183	113.4 Å²	113.4	86%	0.855	68%	0.676	S	S	*	*			trans	-61.4	113.3	149.4	-77.1	-172.5	-13.5	0	0	108.3	Q16	Q14-Q16 PolarHBondContact O-N 3.37Å
15	A	25.6	Very low	30.1	Very low	98 Å²	98	107.4 Å²	107.4	81%	0.81	67%	0.669	S	S	*	*			trans	-69	113.7	168.1	0	0	0	0	0	108.9	S13	S13-A15 PolarHBondContact O-N 3.2Å; S13-A15 VanDerWaalsContact O-N 3.15Å
16	Q	24.9	Very low	29.9	Very low	181 Å²	181	115.5 Å²	115.5	85%	0.846	69%	0.692	S	S	*	*			trans	-67.9	142	167.9	-75.8	-169.6	-40.9	0	0	109.7	Q14 G18	Q14-Q16 PolarHBondContact O-N 3.37Å; Q16-G18 PolarHBondContact O-N 2.78Å
17	P	32.6	Very low	29.2	Very low	139 Å²	139	116.9 Å²	116.9	90%	0.903	72%	0.72	S	S	*	*			trans	-71.5	90	172.5	29.6	-33.5	0	0	0	110
18	G	27.6	Very low	28.5	Very low	69 Å²	69	121.5 Å²	121.5	71%	0.711	76%	0.759	S	S	*	*			trans	-105.9	130	-179.8	0	0	0	0	0	112.7	Q16	Q16-G18 PolarHBondContact O-N 2.78Å
19	I	29.7	Very low	28.3	Very low	183 Å²	183	124.7 Å²	124.7	94%	0.938	78%	0.775	S	S	*	*			trans	-78.3	128.6	176.4	-65.6	167.2	0	0	0	109.9
20	G	26.4	Very low	28.2	Very low	74 Å²	74	129 Å²	129	76%	0.763	80%	0.801	S	S	*	*			trans	172	111.2	170.9	0	0	0	0	0	111.9
21	G	29.3	Very low	28.3	Very low	73 Å²	73	130.1 Å²	130.1	75%	0.753	82%	0.817	S	S	*	*			trans	-95.2	150.1	178.6	0	0	0	0	0	112.8
22	Y	25.4	Very low	28.3	Very low	242 Å²	242	133.2 Å²	133.2	95%	0.949	82%	0.821	S	S	*	*			trans	-137	151.3	162.5	-108.4	-87.9	0	0	0	110.3
23	Q	28	Very low	28.7	Very low	200 Å²	200	129.5 Å²	129.5	94%	0.935	82%	0.821	S	S	*	*			trans	-83.5	136.3	-174.1	-64.4	172.3	-60.2	0	0	111.9
24	G	28	Very low	28.8	Very low	72 Å²	72	132.4 Å²	132.4	74%	0.742	83%	0.827	S	S	*	*			trans	-147.5	111.4	165.3	0	0	0	0	0	108.6
25	G	33	Very low	29	Very low	76 Å²	76	134.9 Å²	134.9	78%	0.784	83%	0.831	S	S	*	*			trans	-89.4	122	-169.5	0	0	0	0	0	113.5
26	F	27.5	Very low	29.2	Very low	212 Å²	212	133.7 Å²	133.7	93%	0.93	83%	0.828	S	S	*	*			trans	-133.3	156.4	162.7	-79.5	-81.5	0	0	0	110.3
27	G	28.7	Very low	29.5	Very low	74 Å²	74	134 Å²	134	76%	0.763	83%	0.829	S	S	*	*	P	Polyproline II helix	trans	-68.7	161.1	-166.3	0	0	0	0	0	115.7
28	A	27.9	Very low	29.4	Very low	100 Å²	100	138.9 Å²	138.9	83%	0.826	83%	0.831	S	S	*	*	P	Polyproline II helix	trans	-71.5	138.8	-177.2	0	0	0	0	0	113.1
29	P	30.4	Very low	29.5	Very low	116 Å²	116	139.1 Å²	139.1	75%	0.753	83%	0.833	S	S	*	*	P	Polyproline II helix	trans	-79.7	151.6	171.6	33.3	-34.6	0	0	0	112
30	P	31	Very low	29.4	Very low	126 Å²	126	134 Å²	134	82%	0.818	83%	0.825	S	S	*	*	P	Polyproline II helix	trans	-73.1	152.8	173.3	31.2	-34.7	0	0	0	112.2
31	A	28.2	Very low	30	Very low	102 Å²	102	136.7 Å²	136.7	84%	0.843	83%	0.83	S	S	*	*	P	Polyproline II helix	trans	-78.4	151	-174.5	0	0	0	0	0	114
32	Q	29.2	Very low	30.9	Very low	182 Å²	182	139.2 Å²	139.2	85%	0.85	83%	0.833	S	S	*	*			trans	-106.1	144.9	164.4	-72.5	-160.6	-15	0	0	111.5
33	P	36.5	Very low	31.2	Very low	117 Å²	117	137.2 Å²	137.2	76%	0.76	83%	0.832	S	S	*	*			trans	-83	146.9	178	33.5	-34.5	0	0	0	112.7
34	L	29.8	Very low	31.3	Very low	161 Å²	161	130.8 Å²	130.8	84%	0.843	82%	0.819	S	S	*	*			trans	-73.5	152.2	170	-74.7	71.3	0	0	0	111.1
35	Y	30.3	Very low	31.2	Very low	235 Å²	235	137 Å²	137	92%	0.922	83%	0.826	S	S	*	*			trans	-130.6	140.3	152.8	-106.7	-91	0	0	0	110.1
36	G	29.3	Very low	31	Very low	73 Å²	73	140.8 Å²	140.8	75%	0.753	83%	0.828	S	S	*	*			trans	-103.4	172.7	-164.5	0	0	0	0	0	115.9
37	H	30.9	Very low	31.2	Very low	189 Å²	189	135 Å²	135	88%	0.875	82%	0.819	S	S	*	*			trans	-68.8	153.3	168.8	-63.4	-28.9	0	0	0	112.5
38	Y	31	Very low	32.4	Very low	241 Å²	241	137.1 Å²	137.1	95%	0.945	82%	0.82	S	S	*	*				-158.1	161.7	129.2	-113	-74.1	0	0	0	110.4
39	G	29.6	Very low	33.5	Very low	73 Å²	73	137.7 Å²	137.7	75%	0.753	82%	0.815	S	S	*	*			trans	-152.3	153	173.3	0	0	0	0	0	111.9
40	G	27.3	Very low	33.6	Very low	75 Å²	75	136.7 Å²	136.7	77%	0.773	82%	0.817	S	S	*	*			trans	-171	151.8	-179.9	0	0	0	0	0	112.8
41	P	38.1	Very low	33.6	Very low	132 Å²	132	135.9 Å²	135.9	86%	0.857	82%	0.82	S	S	*	*			trans	-91	171.2	-172.6	36.3	-36.4	0	0	0	115.2
42	P	49.7	Very low	33.7	Very low	125 Å²	125	134.8 Å²	134.8	81%	0.812	82%	0.819	S	S	*	*			trans	-115.2	160.4	-150.6	41.1	-35	0	0	0	118.8
43	Q	30	Very low	33.8	Very low	201 Å²	201	135.2 Å²	135.2	94%	0.939	82%	0.824	S	S	*	*			trans	-154	163.4	157.5	-63.9	-168.3	16.2	0	0	109.1
44	G	30.4	Very low	33.5	Very low	64 Å²	64	137.3 Å²	137.3	66%	0.66	83%	0.825	S	S	*	*			cis	170.2	112.4	-10	0	0	0	0	0	114.8
45	F	27.4	Very low	33.5	Very low	204 Å²	204	137.7 Å²	137.7	90%	0.895	82%	0.82	S	S	*	*			trans	66.1	142.3	163.1	-85.4	-81.6	0	0	0	123.7
46	N	27.3	Very low	33.4	Very low	155 Å²	155	131.4 Å²	131.4	83%	0.829	81%	0.81	S	S	*	*			trans	77.2	152.3	154.2	-69.2	-16.4	0	0	0	122.7
47	A	31.6	Very low	34.3	Very low	89 Å²	89	133.4 Å²	133.4	74%	0.736	81%	0.81	S	S	*	*			trans	-150.3	-170.8	-176.3	0	0	0	0	0	107.8
48	P	55.4	Low	35.4	Very low	119 Å²	119	129.6 Å²	129.6	77%	0.773	80%	0.802	S	S	*	*			cis	-121.2	-126.9	-6	27.1	0.4	0	0	0	108.6
49	P	51.1	Low	35.3	Very low	112 Å²	112	124.7 Å²	124.7	73%	0.727	80%	0.798	S	S	*	*			cis	-141.9	177.3	-19.3	42.8	-24.2	0	0	0	118.2
50	A	32.7	Very low	35.7	Very low	96 Å²	96	126.6 Å²	126.6	79%	0.793	80%	0.799	S	S	*	*			trans	86.9	148.4	140.2	0	0	0	0	0	123.9
51	A	30.4	Very low	36.7	Very low	108 Å²	108	128.8 Å²	128.8	89%	0.893	80%	0.8	S	S	*	*			trans	70.1	136.8	167	0	0	0	0	0	119.2
52	G	28.9	Very low	36.6	Very low	79 Å²	79	127.2 Å²	127.2	81%	0.814	80%	0.798	S	S	*	*			cis	-172.4	161.9	-4.6	0	0	0	0	0	114.2
53	M	33.2	Very low	35.6	Very low	192 Å²	192	125.3 Å²	125.3	95%	0.946	79%	0.793	S	S	*	*			trans	-117.6	154.6	-172.8	-76.5	179.7	157.1	0	0	114.8
54	M	28.3	Very low	35.8	Very low	160 Å²	160	123.8 Å²	123.8	79%	0.788	79%	0.788	S	S	*	*			trans	-158.9	164.3	150.3	-68.7	-157.4	-161.9	0	0	108
55	K	29.8	Very low	36.4	Very low	170 Å²	170	125.6 Å²	125.6	74%	0.739	79%	0.788	S	S	*	*			cis	-172.6	160.1	-20.6	-95.8	170.7	-172.5	165.3	0	104.9
56	S	30.1	Very low	37	Very low	103 Å²	103	121.6 Å²	121.6	72%	0.72	78%	0.782	S	S	*	*			cis	-158.3	170.1	-3.1	-103.1	0	0	0	0	109.5
57	P	47.6	Very low	38.1	Very low	114 Å²	114	120.1 Å²	120.1	74%	0.74	78%	0.781	S	S	*	*			trans	-102.4	-158.8	-177.2	45.9	-39.4	0	0	0	111.2
58	P	53.8	Low	38.9	Very low	110 Å²	110	122.1 Å²	122.1	71%	0.714	79%	0.787	S	S	*	*			cis	-137.8	177.6	-7.1	42.9	-26.4	0	0	0	116.2
59	T	29	Very low	37.9	Very low	138 Å²	138	122.8 Å²	122.8	85%	0.847	79%	0.788	S	S	*	*				-173.2	151.3	126.2	16.4	0	0	0	0	112.8
60	S	37.9	Very low	37	Very low	113 Å²	113	122.6 Å²	122.6	79%	0.79	79%	0.79	S	S	*	*			trans	-159.9	166.5	174.8	-51.4	0	0	0	0	108.4
61	P	48.8	Very low	36.9	Very low	120 Å²	120	122.5 Å²	122.5	78%	0.779	78%	0.783	S	S	*	*				-157.6	154.1	90.6	39.1	-19.6	0	0	0	119.3
62	A	35.8	Very low	36.8	Very low	100 Å²	100	125.4 Å²	125.4	83%	0.826	78%	0.778	S	S	*	*			trans	59.8	154.7	140.7	0	0	0	0	0	121.4
63	A	28.1	Very low	36.7	Very low	85 Å²	85	132 Å²	132	70%	0.702	78%	0.78	S	S	*	*			cis	-143.4	155.7	0.5	0	0	0	0	0	108.9
64	M	34	Very low	36.4	Very low	169 Å²	169	129.7 Å²	129.7	83%	0.833	77%	0.772	S	S	*	*			cis	75.3	145.1	35.5	-65.2	-77	-75.2	0	0	115.3
65	P	43.4	Very low	37.7	Very low	101 Å²	101	126.7 Å²	126.7	66%	0.656	76%	0.764	S	S	*	*			cis	-142.3	-179.3	-41.4	41.9	-25.6	0	0	0	114.2
66	P	39.3	Very low	37.7	Very low	120 Å²	120	123.8 Å²	123.8	78%	0.779	77%	0.765	S	S	*	*			trans	-103.1	160	168	37.5	-32.3	0	0	0	115.3
67	P	50	Low	37.7	Very low	124 Å²	124	124.5 Å²	124.5	81%	0.805	77%	0.765	S	S	*	*			trans	-97.7	176.5	-176.7	39	-36.7	0	0	0	115.9
68	P	49	Very low	36.8	Very low	131 Å²	131	126.6 Å²	126.6	85%	0.851	77%	0.765	S	S	*	*			trans	-108.9	-152.1	-158.8	43.7	-37.5	0	0	0	117.3
69	V	34.3	Very low	35.6	Very low	134 Å²	134	128.7 Å²	128.7	81%	0.812	77%	0.765	S	S	*	*			trans	-112.8	164.4	-149.2	-171.8	0	0	0	0	114.7
70	S	33.7	Very low	35.7	Very low	108 Å²	108	129.7 Å²	129.7	76%	0.755	77%	0.765	S	S	*	*			trans	88.8	153.9	164.1	88.6	0	0	0	0	116
71	S	29.8	Very low	35.2	Very low	94 Å²	94	128.2 Å²	128.2	66%	0.657	77%	0.768	S	S	*	*			cis	-153	156.5	20.9	-80.4	0	0	0	0	115.1
72	Q	28.9	Very low	34.2	Very low	169 Å²	169	126.8 Å²	126.8	79%	0.79	77%	0.766	S	S	*	*			trans	78.7	142.6	137.1	-86.4	179.6	7.9	0	0	126
73	Y	26.6	Very low	33.9	Very low	217 Å²	217	130.7 Å²	130.7	85%	0.851	77%	0.767	S	S	*	*			trans	74.6	150.2	156	-86.7	-82.5	0	0	0	123.2
74	N	26.9	Very low	34.7	Very low	144 Å²	144	132 Å²	132	77%	0.77	77%	0.768	S	S	*	*			trans	-155.4	170.8	-167.7	-159	17.4	0	0	0	105.6
75	P	55.5	Low	34.4	Very low	96 Å²	96	132 Å²	132	62%	0.623	77%	0.766	S	S	*	*			cis	-133.9	-157.6	-6.4	42.8	-23.3	0	0	0	114.2
76	S	29	Very low	33.7	Very low	109 Å²	109	138.4 Å²	138.4	76%	0.762	78%	0.778	S	S	*	*			trans	81	153.9	158.3	87.4	0	0	0	0	117.5
77	V	29.7	Very low	33.1	Very low	119 Å²	119	143.2 Å²	143.2	72%	0.721	78%	0.782	S	S	*	*			cis	-161.5	150.2	-8.4	111	0	0	0	0	112.7
78	Q	29	Very low	32	Very low	157 Å²	157	141.5 Å²	141.5	73%	0.734	78%	0.778	S	S	*	*			trans	51	137.5	156.1	-70	177.4	-32.1	0	0	126.2
79	Q	29.6	Very low	31.3	Very low	155 Å²	155	140.7 Å²	140.7	72%	0.724	78%	0.775	S	S	*	*			trans	74.8	122.4	135.3	-76.1	-175.3	3.9	0	0	124.9
80	N	30.5	Very low	31.3	Very low	158 Å²	158	140.3 Å²	140.3	85%	0.845	78%	0.775	S	S	*	*				36.7	121.8	128.3	-59.1	1.1	0	0	0	121.9
81	G	27	Very low	31	Very low	83 Å²	83	140.6 Å²	140.6	86%	0.856	78%	0.777	S	S	*	*			trans	-173.1	149.1	158.6	0	0	0	0	0	111
82	A	28.7	Very low	31.3	Very low	89 Å²	89	141 Å²	141	74%	0.736	79%	0.786	S	S	*	*			trans	-134.4	136.3	-169	0	0	0	0	0	115.2
83	H	28.6	Very low	31.2	Very low	182 Å²	182	137.8 Å²	137.8	84%	0.843	79%	0.789	S	S	*	*			trans	61.4	169	158.9	-72.2	-50	0	0	0	118.6
84	P	45.1	Very low	31.5	Very low	113 Å²	113	132.8 Å²	132.8	73%	0.734	79%	0.786	S	S	*	*			cis	-133.5	156.3	-33.9	34	-19	0	0	0	114.1
85	Q	28.9	Very low	33.1	Very low	169 Å²	169	131.4 Å²	131.4	79%	0.79	78%	0.784	S	S	*	*			trans	-167.4	135.4	140.2	-75	-139.8	-8.6	0	0	107
86	R	27.2	Very low	32.8	Very low	236 Å²	236	132.2 Å²	132.2	89%	0.891	79%	0.79	S	S	*	*			cis	67.8	87.1	44.7	-86.2	-160.7	175.9	-167.6	1.1	115.8
87	Y	28	Very low	32.8	Very low	221 Å²	221	138.3 Å²	138.3	87%	0.867	80%	0.798	S	S	*	*			trans	-175	151.9	142	-89.5	-74	0	0	0	107.3
88	A	27.3	Very low	32.6	Very low	88 Å²	88	136.2 Å²	136.2	73%	0.727	80%	0.8	S	S	*	*			cis	-159.8	155.3	-41.2	0	0	0	0	0	109.2
89	S	32.4	Very low	32.7	Very low	113 Å²	113	137.7 Å²	137.7	79%	0.79	81%	0.807	S	S	*	*			trans	-86.8	150.2	176.8	-40.9	0	0	0	0	112.6
90	P	34.4	Very low	33.4	Very low	126 Å²	126	135.3 Å²	135.3	82%	0.818	81%	0.805	S	S	*	*			trans	-105.1	137.5	157.3	34.4	-25.9	0	0	0	111.8
91	S	29	Very low	33.3	Very low	114 Å²	114	132.6 Å²	132.6	80%	0.797	80%	0.798	S	S	*	*			trans	-138.4	135.5	177.9	-66.2	0	0	0	0	112.7
92	A	35.8	Very low	33.4	Very low	102 Å²	102	136.2 Å²	136.2	84%	0.843	79%	0.793	S	S	*	*			trans	53	132.5	150.3	0	0	0	0	0	122.3
93	A	26.7	Very low	33.5	Very low	102 Å²	102	136.7 Å²	136.7	84%	0.843	79%	0.791	S	S	*	*			trans	-153.9	150.2	152.4	0	0	0	0	0	111.2
94	S	33	Very low	33.3	Very low	112 Å²	112	133.8 Å²	133.8	78%	0.783	79%	0.785	S	S	*	*			trans	-152.8	-175.2	-175.1	-40.5	0	0	0	0	109.5
95	P	60.7	Low	32.5	Very low	115 Å²	115	137.9 Å²	137.9	75%	0.747	79%	0.788	S	S	*	*			cis	-110.8	-93.4	-12.5	18.9	5.8	0	0	0	114.2
96	P	48.4	Very low	32.5	Very low	114 Å²	114	136.4 Å²	136.4	74%	0.74	79%	0.785	S	S	*	*			cis	-113.3	-109.6	5.7	40.3	-24.6	0	0	0	115.7
97	Y	29.8	Very low	32.6	Very low	236 Å²	236	129.5 Å²	129.5	93%	0.925	77%	0.773	S	S	*	*			trans	-149.2	157.1	-166.1	-107.1	-104.9	0	0	0	113.1
98	G	25	Very low	32.8	Very low	75 Å²	75	127.6 Å²	127.6	77%	0.773	77%	0.774	S	S	*	*			trans	172.4	109.8	164.5	0	0	0	0	0	117.7
99	Q	29.7	Very low	32.9	Very low	189 Å²	189	128.2 Å²	128.2	88%	0.883	78%	0.78	S	S	*	*			trans	-143.7	178.1	165.1	-114.6	-157.9	10.2	0	0	107.7
100	P	45.9	Very low	32.9	Very low	105 Å²	105	128.2 Å²	128.2	68%	0.682	78%	0.78	S	S	*	*			cis	-127.1	171.2	11.9	39.5	-21.6	0	0	0	115.1
101	S	28.1	Very low	33.8	Very low	100 Å²	100	128.3 Å²	128.3	70%	0.699	78%	0.78	S	S	*	*				151.9	-175.8	89.6	59.2	0	0	0	0	109.2
102	H	29.3	Very low	34	Very low	160 Å²	160	127.1 Å²	127.1	74%	0.741	78%	0.777	S	S	*	*			cis	-157.9	112.1	4.7	-156.4	-76.9	0	0	0	113.4
103	S	29.7	Very low	34.6	Very low	99 Å²	99	128 Å²	128	69%	0.692	77%	0.774	S	S	*	*			trans	63.1	157.2	154.1	70.7	0	0	0	0	120
104	V	25.8	Very low	36.1	Very low	120 Å²	120	128.8 Å²	128.8	73%	0.727	77%	0.771	S	S	*	*			cis	-147.2	129.6	25.2	168.3	0	0	0	0	112.6
105	Y	26.4	Very low	36.1	Very low	199 Å²	199	129.2 Å²	129.2	78%	0.78	77%	0.769	S	S	*	*			trans	45.5	125.4	146	-75.6	-112.9	0	0	0	122
106	N	30.8	Very low	34.8	Very low	138 Å²	138	131.3 Å²	131.3	74%	0.738	77%	0.769	S	S	*	*				73.1	147.3	76.2	-78.4	-27.2	0	0	0	115.4
107	S	29.4	Very low	34	Very low	91 Å²	91	133.5 Å²	133.5	64%	0.636	77%	0.769	S	S	*	*			cis	-172	156.9	-12.4	-176.2	0	0	0	0	111.9
108	M	30.7	Very low	34.1	Very low	181 Å²	181	129.5 Å²	129.5	89%	0.892	76%	0.763	S	S	*	*			trans	57.7	138.6	152.3	-81.7	177.2	179.6	0	0	125.1
109	A	29.9	Very low	34.3	Very low	102 Å²	102	129.2 Å²	129.2	84%	0.843	75%	0.753	S	S	*	*			trans	80.1	147.3	139.1	0	0	0	0	0	123.7
110	S	33.4	Very low	34.5	Very low	113 Å²	113	127.3 Å²	127.3	79%	0.79	75%	0.749	S	S	*	*			trans	-79.7	175	170.9	-37.4	0	0	0	0	112
111	P	51.3	Low	33.8	Very low	127 Å²	127	130.3 Å²	130.3	83%	0.825	75%	0.754	S	S	*	*			cis	-138.6	-161.6	15.5	42.4	-20.8	0	0	0	116.3
112	A	33.2	Very low	33.9	Very low	89 Å²	89	132.6 Å²	132.6	74%	0.736	76%	0.755	S	S	*	*			trans	-76.8	-178.1	177	0	0	0	0	0	113.3
113	P	50.3	Low	33.8	Very low	120 Å²	120	130.2 Å²	130.2	78%	0.779	76%	0.757	S	S	*	*			cis	-131.8	-148.1	19.1	41.1	-17.1	0	0	0	112.3
114	P	57.9	Low	33.9	Very low	120 Å²	120	129.9 Å²	129.9	78%	0.779	76%	0.76	S	S	*	*			cis	-134.1	-106.3	0.7	39.6	-15.5	0	0	0	117.9
115	T	32.5	Very low	34.2	Very low	120 Å²	120	133.5 Å²	133.5	74%	0.736	77%	0.772	S	S	*	*			trans	-145.6	159.3	-152.2	49.9	0	0	0	0	116.8
116	Q	34.1	Very low	34.5	Very low	160 Å²	160	130.9 Å²	130.9	75%	0.748	77%	0.771	S	S	*	*				118.1	142.6	126.3	-119.7	-173.7	38	0	0	121.6
117	Q	31.6	Very low	34.4	Very low	159 Å²	159	132.9 Å²	132.9	74%	0.743	78%	0.781	S	S	*	*			trans	73.5	155.2	157.9	-63.7	-173.8	17.3	0	0	120.8
118	L	30.2	Very low	34.3	Very low	152 Å²	152	131.6 Å²	131.6	80%	0.796	78%	0.782	S	S	*	*			cis	-171.2	134.7	-28.6	179.3	58.3	0	0	0	112.9
119	A	30.1	Very low	34.3	Very low	69 Å²	69	127.4 Å²	127.4	57%	0.57	77%	0.77	S	S	*	*			trans	67.2	132	150	0	0	0	0	0	126.2
120	N	34.7	Very low	34.4	Very low	149 Å²	149	133.6 Å²	133.6	80%	0.797	77%	0.773	S	S	*	*			trans	66.7	128.3	135.4	-59.7	-11.3	0	0	0	123.6
121	Q	30.7	Very low	34.3	Very low	168 Å²	168	131.1 Å²	131.1	79%	0.785	77%	0.766	S	S	*	*				-176	139.7	94.4	-94.2	-175.5	19.2	0	0	116.3
122	M	30	Very low	33.5	Very low	148 Å²	148	135.5 Å²	135.5	73%	0.729	77%	0.772	S	S	*	*			trans	53	108.1	144.2	-68.4	-167.5	-81.8	0	0	125.4
123	S	28.1	Very low	33.3	Very low	110 Å²	110	136.6 Å²	136.6	77%	0.769	78%	0.775	S	S	*	*				74.9	123.4	108.3	-55.4	0	0	0	0	125.1
124	A	31.2	Very low	32.6	Very low	92 Å²	92	139.5 Å²	139.5	76%	0.76	78%	0.777	S	S	*	*			trans	83.6	108.8	131	0	0	0	0	0	122.8
125	M	32.2	Very low	32.1	Very low	197 Å²	197	139.5 Å²	139.5	97%	0.97	78%	0.777	S	S	*	*				-152.3	178.3	107.2	-124.2	-174.6	-72	0	0	111.7
126	N	31.8	Very low	33.3	Very low	144 Å²	144	139.2 Å²	139.2	77%	0.77	78%	0.778	S	S	*	*			trans	-153	141.6	-154.7	178	20.2	0	0	0	113.3
127	L	28.4	Very low	34.9	Very low	179 Å²	179	136.8 Å²	136.8	94%	0.937	78%	0.776	S	S	*	*			trans	164.3	128.9	155.8	-93.7	153.9	0	0	0	109.3
128	G	27.3	Very low	35.9	Very low	64 Å²	64	135.2 Å²	135.2	66%	0.66	78%	0.78	S	S	*	*			cis	-174.2	155.3	-9.9	0	0	0	0	0	113.9
129	S	31.2	Very low	36.1	Very low	94 Å²	94	134.4 Å²	134.4	66%	0.657	78%	0.781	S	S	*	*			trans	5.4	146.6	157.6	-145	0	0	0	0	120.9
130	Y	32.2	Very low	36.2	Very low	231 Å²	231	137.2 Å²	137.2	91%	0.906	80%	0.796	S	S	*	*			cis	-146.9	163.4	26.6	-71.9	-107	0	0	0	111.1
131	G	30.4	Very low	36.2	Very low	62 Å²	62	135.7 Å²	135.7	64%	0.639	80%	0.798	S	S	*	*			cis	159.4	107.3	-13	0	0	0	0	0	117.1
132	K	35.2	Very low	36.1	Very low	218 Å²	218	132.4 Å²	132.4	95%	0.948	80%	0.799	S	S	*	*			trans	70.6	158.6	156	-53.8	179.7	-179.5	178.1	0	117.3
133	S	29	Very low	36.2	Very low	113 Å²	113	129.3 Å²	129.3	79%	0.79	80%	0.797	S	S	*	*			cis	-147.8	147.4	12.2	51.8	0	0	0	0	115.9
134	H	35.2	Very low	36.3	Very low	180 Å²	180	132.3 Å²	132.3	83%	0.833	80%	0.799	S	S	*	*			trans	-80.8	178.3	163.3	-81.7	-56.6	0	0	0	111.7
135	P	48.4	Very low	36.2	Very low	120 Å²	120	136 Å²	136	78%	0.779	80%	0.8	S	S	*	*			cis	-145.4	-174.4	32.7	42.2	-19.3	0	0	0	118.8
136	P	56.6	Low	36	Very low	115 Å²	115	134.6 Å²	134.6	75%	0.747	79%	0.791	S	S	*	*			trans	-114.4	-130.2	-169.6	30	-7.1	0	0	0	115.9
137	P	68.6	Low	35.9	Very low	109 Å²	109	135.7 Å²	135.7	71%	0.708	79%	0.789	S	S	*	*				-108.3	-168.2	-122.9	39.4	-21.5	0	0	0	114.6
138	P	51.9	Low	36	Very low	126 Å²	126	135.2 Å²	135.2	82%	0.818	78%	0.782	S	S	*	*				-150.5	-174.2	100.7	41.1	-23.5	0	0	0	116.8
139	T	35.3	Very low	36.5	Very low	135 Å²	135	138.2 Å²	138.2	83%	0.828	79%	0.788	S	S	*	*			trans	-89.3	157.4	-171.3	52.1	0	0	0	0	116.7
140	S	33	Very low	37.4	Very low	127 Å²	127	139.8 Å²	139.8	89%	0.888	80%	0.796	S	S	*	*			trans	-157.3	164	142.6	62.1	0	0	0	0	111.9
141	S	32.8	Very low	37.7	Very low	118 Å²	118	133 Å²	133	83%	0.825	79%	0.787	S	S	*	*			trans	-137.3	171.7	-166.3	57.4	0	0	0	0	113.9
142	A	30.3	Very low	38.9	Very low	99 Å²	99	135.7 Å²	135.7	82%	0.818	79%	0.793	S	S	*	*			trans	84.9	155.3	173.8	0	0	0	0	0	116.8
143	A	30.6	Very low	39	Very low	82 Å²	82	129.7 Å²	129.7	68%	0.678	79%	0.785	S	S	*	*			cis	-172.2	158	-28.4	0	0	0	0	0	110.8
144	Q	31.2	Very low	39.3	Very low	173 Å²	173	133.6 Å²	133.6	81%	0.808	79%	0.793	S	S	*	*			trans	66.6	158.5	165.1	-65.7	173.8	-3.5	0	0	116.1
145	Q	29.9	Very low	39.1	Very low	169 Å²	169	128.4 Å²	128.4	79%	0.79	79%	0.788	S	S	*	*			cis	-152.2	-179.6	-1.8	-130.3	169.1	15.5	0	0	112.3
146	H	27.7	Very low	38.4	Very low	168 Å²	168	131.4 Å²	131.4	78%	0.778	79%	0.792	S	S	*	*			trans	-70.8	160.5	178	-63.8	-46.3	0	0	0	114.2
147	F	29.3	Very low	38	Very low	168 Å²	168	131.7 Å²	131.7	74%	0.737	79%	0.794	S	S	*	*				-177.7	140.2	84.6	-113.9	-98.2	0	0	0	116.2
148	Q	29.4	Very low	36.4	Very low	169 Å²	169	134.1 Å²	134.1	79%	0.79	80%	0.795	S	S	*	*			trans	58.7	158.1	144.1	-80.7	178	-6.4	0	0	127
149	T	37.8	Very low	35.3	Very low	127 Å²	127	136.2 Å²	136.2	78%	0.779	80%	0.796	S	S	*	*			trans	-89.4	178.8	-179.3	48.8	0	0	0	0	113.3
150	P	51.7	Low	35.2	Very low	126 Å²	126	137.1 Å²	137.1	82%	0.818	79%	0.791	S	S	*	*			cis	-148.4	-158.6	28.4	44	-19.8	0	0	0	118.1
151	A	37.2	Very low	34.9	Very low	88 Å²	88	137.1 Å²	137.1	73%	0.727	79%	0.791	S	S	*	*			trans	-89.3	-169	179.3	0	0	0	0	0	113
152	P	55.8	Low	34.9	Very low	119 Å²	119	136 Å²	136	77%	0.773	79%	0.789	S	S	*	*			cis	-153.2	171.9	30.8	45.3	-23.2	0	0	0	121.7
153	A	37.6	Very low	35.6	Very low	93 Å²	93	137.6 Å²	137.6	77%	0.769	79%	0.791	S	S	*	*			trans	47.8	154.5	138.9	0	0	0	0	0	127.8
154	M	35	Very low	35.9	Very low	195 Å²	195	137.9 Å²	137.9	96%	0.961	79%	0.793	S	S	*	*			trans	76.2	144	165.3	-54.3	-79.7	-101.1	0	0	118.6
155	G	31	Very low	36.8	Very low	71 Å²	71	134.9 Å²	134.9	73%	0.732	79%	0.789	S	S	*	*			cis	166.9	124.4	-15.7	0	0	0	0	0	116.8
156	Q	34.4	Very low	37.1	Very low	183 Å²	183	135.3 Å²	135.3	86%	0.855	79%	0.79	S	S	*	*			trans	63.3	172.3	168	-99.4	-167.9	-0.7	0	0	119
157	P	48.4	Very low	37.4	Very low	121 Å²	121	135.8 Å²	135.8	79%	0.786	80%	0.795	S	S	*	*			cis	-132.4	-163.1	20	44.5	-25.5	0	0	0	117.6
158	Q	33.4	Very low	37.5	Very low	159 Å²	159	132.3 Å²	132.3	74%	0.743	80%	0.797	S	S	*	*			trans	-98.9	166.3	-177.4	-52.8	169.2	-75.2	0	0	114.4
159	M	30.1	Very low	37.6	Very low	170 Å²	170	129.3 Å²	129.3	84%	0.837	80%	0.795	S	S	*	*				-172.7	163.4	129.6	-101.4	-67.4	167.9	0	0	114.5
160	H	31.8	Very low	37.4	Very low	154 Å²	154	132.5 Å²	132.5	71%	0.713	80%	0.801	S	S	*	*			trans	-85.7	161.1	-162.8	-56.3	76.3	0	0	0	116.9
161	S	28.1	Very low	36.4	Very low	128 Å²	128	133.1 Å²	133.1	90%	0.895	80%	0.797	S	S	*	*				166.4	168.7	112.6	50.3	0	0	0	0	114.6
162	A	32.6	Very low	36.1	Very low	94 Å²	94	135.5 Å²	135.5	78%	0.777	79%	0.793	S	S	*	*			trans	-123.2	177.2	177.2	0	0	0	0	0	109.7
163	P	45.3	Very low	34.8	Very low	133 Å²	133	136.9 Å²	136.9	86%	0.864	79%	0.791	S	S	*	*				-147.9	-168.5	54.9	40.2	-17.5	0	0	0	116.4
164	A	35.2	Very low	34.7	Very low	88 Å²	88	137.9 Å²	137.9	73%	0.727	79%	0.793	S	S	*	*			trans	-99.2	178.2	176	0	0	0	0	0	113.1
165	P	51.6	Low	35.2	Very low	110 Å²	110	134.3 Å²	134.3	71%	0.714	78%	0.784	S	S	*	*				-156	149.2	94	39.4	-20.5	0	0	0	119
166	H	35.6	Very low	35.9	Very low	178 Å²	178	136.1 Å²	136.1	82%	0.824	78%	0.783	S	S	*	*			trans	44.5	164	135.1	-64.6	-60.8	0	0	0	123.7
167	M	34	Very low	35.8	Very low	178 Å²	178	137 Å²	137	88%	0.877	79%	0.787	S	S	*	*			cis	-153.5	159.1	16.9	-141.1	-156	-155.2	0	0	114
168	A	30.7	Very low	35.1	Very low	94 Å²	94	136.4 Å²	136.4	78%	0.777	79%	0.786	S	S	*	*			trans	130.2	148.9	147.8	0	0	0	0	0	115.4
169	S	32	Very low	35.9	Very low	106 Å²	106	134.4 Å²	134.4	74%	0.741	79%	0.787	S	S	*	*			cis	-178.1	104.1	-31.4	176.9	0	0	0	0	110.3
170	Q	33.1	Very low	36.1	Very low	195 Å²	195	133.7 Å²	133.7	91%	0.911	79%	0.785	S	S	*	*			trans	-179.2	169	138.3	-103.2	177.2	-0.5	0	0	114
171	N	31.5	Very low	36	Very low	138 Å²	138	132 Å²	132	74%	0.738	79%	0.786	S	S	*	*			trans	-112.8	169.1	-161.6	-86.2	-15	0	0	0	111.4
172	Q	30.2	Very low	36.1	Very low	139 Å²	139	132.9 Å²	132.9	65%	0.65	78%	0.781	S	S	*	*			cis	-167.4	169.1	-2.1	-118.7	167.1	-1.8	0	0	112.6
173	M	29.6	Very low	36.2	Very low	147 Å²	147	136.7 Å²	136.7	72%	0.724	79%	0.785	S	S	*	*			trans	62.8	109.9	143.6	-72	170	176.2	0	0	123.4
174	S	34.4	Very low	36.5	Very low	115 Å²	115	135.5 Å²	135.5	80%	0.804	78%	0.777	S	S	*	*				52	149.5	106.9	-52.3	0	0	0	0	123.7
175	P	45.2	Very low	36.6	Very low	120 Å²	120	135.6 Å²	135.6	78%	0.779	78%	0.778	S	S	*	*			trans	-104.9	161.3	-166.3	40.7	-37	0	0	0	117.4
176	P	46.9	Very low	35.7	Very low	109 Å²	109	136.1 Å²	136.1	71%	0.708	78%	0.784	S	S	*	*			trans	-93.7	130	162.1	35.9	-30.3	0	0	0	111.9
177	Q	31.4	Very low	35.6	Very low	200 Å²	200	130.7 Å²	130.7	94%	0.935	78%	0.777	S	S	*	*				77.7	142.7	91.3	-71.8	-170.1	-15.9	0	0	117.3
178	S	35.2	Very low	35.6	Very low	110 Å²	110	131 Å²	131	77%	0.769	78%	0.776	S	S	*	*			trans	-122.6	177.4	178.5	59.2	0	0	0	0	111.2
179	P	50.2	Low	35.7	Very low	117 Å²	117	132.9 Å²	132.9	76%	0.76	77%	0.772	S	S	*	*			trans	-139.5	152	130.6	34.8	-21.2	0	0	0	116.7
180	L	33.4	Very low	35.7	Very low	154 Å²	154	136 Å²	136	81%	0.806	78%	0.777	S	S	*	*			trans	-11.1	150.1	164.3	-61.3	97.7	0	0	0	120
181	T	30.2	Very low	35.6	Very low	120 Å²	120	130.7 Å²	130.7	74%	0.736	78%	0.775	S	S	*	*				-157.6	155.2	57.9	29.5	0	0	0	0	117.1
182	N	30.1	Very low	35.6	Very low	146 Å²	146	127.7 Å²	127.7	78%	0.781	78%	0.777	S	S	*	*			trans	61	88.2	151.8	-63.6	10	0	0	0	122.8
183	M	34.2	Very low	35.6	Very low	174 Å²	174	130 Å²	130	86%	0.857	79%	0.787	S	S	*	*				-2.7	164.1	116.2	-80.4	-72.4	-175.5	0	0	120.3
184	P	51.8	Low	35.6	Very low	108 Å²	108	128.1 Å²	128.1	70%	0.701	79%	0.788	S	S	*	*			cis	-139	164	9.2	34.3	-13.7	0	0	0	119.4
185	A	36.6	Very low	35.4	Very low	90 Å²	90	130.4 Å²	130.4	74%	0.744	79%	0.789	S	S	*	*			trans	60.5	156.4	141.9	0	0	0	0	0	121.1
186	S	33.4	Very low	34.8	Very low	120 Å²	120	131.1 Å²	131.1	84%	0.839	79%	0.791	S	S	*	*			cis	-167.8	159.2	-21.3	49.7	0	0	0	0	108
187	G	33.2	Very low	34.1	Very low	65 Å²	65	129.2 Å²	129.2	67%	0.67	79%	0.791	S	S	*	*			cis	158.8	142.8	-8.8	0	0	0	0	0	112.1
188	Q	34.3	Very low	35.5	Very low	183 Å²	183	125.7 Å²	125.7	86%	0.855	79%	0.786	S	S	*	*			trans	68	159.2	161.3	-57	-175.3	-43.3	0	0	118.9
189	L	32	Very low	36.2	Very low	135 Å²	135	126.2 Å²	126.2	71%	0.707	79%	0.786	S	S	*	*			cis	-161.3	151.1	-28.4	-103.5	170	0	0	0	110.2
190	M	32.4	Very low	35.4	Very low	171 Å²	171	129.6 Å²	129.6	84%	0.842	79%	0.794	S	S	*	*			trans	45.2	123.7	144.5	-68.8	-78.4	-82.3	0	0	123.7
191	G	30.6	Very low	35.4	Very low	84 Å²	84	125.7 Å²	125.7	87%	0.866	79%	0.791	S	S	*	*			trans	80.4	156.1	138.4	0	0	0	0	0	118.5
192	G	31.8	Very low	35.5	Very low	75 Å²	75	125.3 Å²	125.3	77%	0.773	80%	0.8	S	S	*	*			cis	178.1	147.4	-7.9	0	0	0	0	0	113.4
193	Q	31.4	Very low	35.6	Very low	187 Å²	187	121.5 Å²	121.5	87%	0.874	80%	0.796	S	S	*	*			trans	39.5	103.3	160.1	-67.5	-177.4	-20.4	0	0	121.7
194	S	29.2	Very low	37	Very low	107 Å²	107	119.3 Å²	119.3	75%	0.748	79%	0.794	S	S	*	*				84	147.4	118.9	79.1	0	0	0	0	123.6
195	M	30.7	Very low	37.1	Very low	164 Å²	164	119.2 Å²	119.2	81%	0.808	79%	0.794	S	S	*	*			trans	82.5	132.9	152.9	-74.5	-59.4	-148.8	0	0	123.2
196	T	32.3	Very low	37.1	Very low	134 Å²	134	124.1 Å²	124.1	82%	0.822	80%	0.803	S	S	*	*			trans	56.4	125	147.9	53.8	0	0	0	0	122.4
197	G	32.2	Very low	37.1	Very low	70 Å²	70	122.1 Å²	122.1	72%	0.722	80%	0.802	S	S	*	*			trans	134.1	118.9	137.9	0	0	0	0	0	118.4
198	P	60.7	Low	37.2	Very low	126 Å²	126	122.5 Å²	122.5	82%	0.818	81%	0.806	S	S	*	*			trans	-83.1	174.9	158.8	38.4	-35.3	0	0	0	110.6
199	P	49.2	Very low	37.4	Very low	121 Å²	121	122.5 Å²	122.5	79%	0.786	81%	0.806	S	S	*	*			cis	-150.1	-156.9	34.7	45.3	-22.3	0	0	0	117.8
200	M	33.4	Very low	37.5	Very low	188 Å²	188	121.6 Å²	121.6	93%	0.926	81%	0.811	S	S	*	*			trans	-55.2	162.4	175.9	-49.4	-167.5	-64.9	0	0	114.1
201	G	33.4	Very low	37.8	Very low	72 Å²	72	121.7 Å²	121.7	74%	0.742	81%	0.812	S	S	*	*			cis	166.8	-159.5	1.6	0	0	0	0	0	112.1
202	A	31.7	Very low	37.7	Very low	111 Å²	111	123.9 Å²	123.9	92%	0.917	81%	0.808	S	S	*	*			trans	78.8	151.5	179.1	0	0	0	0	0	118.8
203	G	33.4	Very low	37.6	Very low	67 Å²	67	123.2 Å²	123.2	69%	0.691	80%	0.801	S	S	*	*			trans	-122.5	-149.1	168.2	0	0	0	0	0	110
204	P	62.6	Low	38.5	Very low	127 Å²	127	120.4 Å²	120.4	83%	0.825	80%	0.799	S	S	*	*			cis	-117.4	-119	1	25.1	2	0	0	0	109.1
205	P	53.8	Low	40	Very low	107 Å²	107	120.4 Å²	120.4	70%	0.695	80%	0.797	S	S	*	*			cis	-138.2	159.4	-25.3	40.6	-21.8	0	0	0	118.8
206	M	37.6	Very low	40.3	Very low	192 Å²	192	121.2 Å²	121.2	95%	0.946	80%	0.801	S	S	*	*			trans	45.6	127.2	141.2	-71.1	-74.6	-91.1	0	0	124.4
207	G	32.6	Very low	40.3	Very low	79 Å²	79	119.7 Å²	119.7	81%	0.814	80%	0.802	S	S	*	*			trans	151.8	137.9	155.4	0	0	0	0	0	111.8
208	G	35.3	Very low	40.4	Very low	73 Å²	73	119.9 Å²	119.9	75%	0.753	80%	0.804	S	S	*	*			cis	130.9	135.8	-4.3	0	0	0	0	0	112
209	Q	39.3	Very low	39.3	Very low	183 Å²	183	122.2 Å²	122.2	86%	0.855	81%	0.806	S	S	*	*			cis	-153.1	-157	-3.6	-63.6	-170.1	-3.4	0	0	109.6
210	S	34.5	Very low	38.3	Very low	116 Å²	116	123.3 Å²	123.3	81%	0.811	81%	0.805	S	S	*	*			trans	75.3	159	177.1	86.2	0	0	0	0	115
211	M	37.6	Very low	38.4	Very low	173 Å²	173	125.4 Å²	125.4	85%	0.852	80%	0.803	S	S	*	*			cis	-168.9	167.2	-16.7	-108.4	-67.1	-177.9	0	0	106.2
212	T	30.1	Very low	39.5	Very low	130 Å²	130	128 Å²	128	80%	0.798	81%	0.807	S	S	*	*			cis	-132.2	-156.8	8.7	59	0	0	0	0	112
213	G	28.3	Very low	39.7	Very low	61 Å²	61	132.3 Å²	132.3	63%	0.629	81%	0.805	S	S	*	*			trans	-157.9	-149.9	165.1	0	0	0	0	0	109.2
214	P	50.4	Low	40.5	Very low	128 Å²	128	135 Å²	135	83%	0.831	81%	0.81	S	S	*	*			cis	-135.9	-125.5	-3.6	31.4	-3.7	0	0	0	114.1
215	P	61.2	Low	39.1	Very low	107 Å²	107	132.2 Å²	132.2	70%	0.695	80%	0.804	S	S	*	*				-142.9	-166.6	-112.6	47.9	-28.3	0	0	0	119.4
216	M	36.9	Very low	39	Very low	180 Å²	180	133.2 Å²	133.2	89%	0.887	81%	0.811	S	S	*	*			trans	92.9	123.4	142.9	-82.7	-77	-95.1	0	0	124.2
217	A	32.7	Very low	40.4	Very low	103 Å²	103	129.6 Å²	129.6	85%	0.851	80%	0.802	S	S	*	*			trans	-167.2	161.3	138.4	0	0	0	0	0	110.9
218	G	34.9	Very low	41.1	Very low	73 Å²	73	131.2 Å²	131.2	75%	0.753	80%	0.798	S	S	*	*			trans	-170.3	-153.7	-176.3	0	0	0	0	0	116.6
219	M	35.6	Very low	40.9	Very low	175 Å²	175	133.7 Å²	133.7	86%	0.862	80%	0.803	S	S	*	*			trans	77.6	147.9	-176	-109	58.2	167.9	0	0	116.1
220	N	30	Very low	40.6	Very low	144 Å²	144	128 Å²	128	77%	0.77	79%	0.793	S	S	*	*			cis	-156.2	-178.7	-2.8	-149.9	-6.2	0	0	0	114
221	R	34.9	Very low	40.5	Very low	233 Å²	233	132.4 Å²	132.4	88%	0.879	80%	0.802	S	S	*	*			trans	-101.6	-171.7	175.3	-73.7	-176.4	169.4	-169.5	-2.1	112.4
222	P	55.4	Low	40.1	Very low	127 Å²	127	127.6 Å²	127.6	83%	0.825	80%	0.796	S	S	*	*			cis	-146.2	-161.4	11.2	45.8	-22.7	0	0	0	119.6
223	F	36.1	Very low	40	Very low	200 Å²	200	125.7 Å²	125.7	88%	0.877	79%	0.793	S	S	*	*			trans	-69	168.7	-179.5	-96.6	-82.4	0	0	0	117.1
224	P	50.8	Low	40	Very low	125 Å²	125	132 Å²	132	81%	0.812	80%	0.804	S	S	*	*				-154.6	-171.9	65.5	42.4	-19.3	0	0	0	119.6
225	G	32.5	Very low	39.2	Very low	67 Å²	67	133.1 Å²	133.1	69%	0.691	80%	0.798	S	S	*	*			trans	-113.1	-153.7	168.5	0	0	0	0	0	112.9
226	P	52.5	Low	38	Very low	129 Å²	129	134.3 Å²	134.3	84%	0.838	79%	0.794	S	S	*	*			cis	-134.2	-156.7	7.3	48.4	-28.6	0	0	0	114
227	P	67.8	Low	37.9	Very low	116 Å²	116	133.5 Å²	133.5	75%	0.753	79%	0.788	S	S	*	*			trans	-101	-178.9	-167.3	42.2	-37.5	0	0	0	115.8
228	P	46.8	Very low	38	Very low	113 Å²	113	131.9 Å²	131.9	73%	0.734	78%	0.782	S	S	*	*				-157.7	177.8	107.1	41.9	-24.1	0	0	0	118.7
229	S	31.1	Very low	37.8	Very low	124 Å²	124	135.3 Å²	135.3	87%	0.867	79%	0.788	S	S	*	*			trans	76.3	159.4	150.9	67.2	0	0	0	0	121.6
230	G	32.3	Very low	37.7	Very low	63 Å²	63	130.1 Å²	130.1	65%	0.649	78%	0.779	S	S	*	*			trans	-142.1	-134.5	-177.2	0	0	0	0	0	113.3
231	Q	32.3	Very low	38.7	Very low	210 Å²	210	128.9 Å²	128.9	98%	0.981	78%	0.779	S	S	*	*			trans	81.8	147.7	-154.9	-53.3	171.6	8.8	0	0	112.1
232	G	29	Very low	38.8	Very low	71 Å²	71	123.8 Å²	123.8	73%	0.732	77%	0.774	S	S	*	*			cis	161.2	123	-13.8	0	0	0	0	0	114.5
233	A	27.8	Very low	37.7	Very low	90 Å²	90	122 Å²	122	74%	0.744	77%	0.77	S	S	*	*			trans	62.3	155.3	164.9	0	0	0	0	0	116.9
234	F	28.7	Very low	38.6	Very low	193 Å²	193	118 Å²	118	85%	0.846	76%	0.764	S	S	*	*			cis	-146.9	172.6	34.1	-118.6	-85.7	0	0	0	114.8
235	Q	33.9	Very low	37.8	Very low	153 Å²	153	118 Å²	118	72%	0.715	77%	0.767	S	S	*	*			trans	-74.6	-166.6	164.7	-61.5	178	-17	0	0	110.1
236	Q	36	Very low	37.6	Very low	132 Å²	132	118.5 Å²	118.5	62%	0.617	77%	0.773	S	S	*	*			cis	-176.9	143.7	33.7	-159.7	164.6	73.5	0	0	108.4
237	H	34.8	Very low	36.4	Very low	162 Å²	162	123.4 Å²	123.4	75%	0.75	78%	0.776	S	S	*	*				-172.7	161.6	85.6	-84.6	76.1	0	0	0	108.4
238	G	35	Very low	35.7	Very low	70 Å²	70	123 Å²	123	72%	0.722	77%	0.774	S	S	*	*			cis	118.2	145.1	18.4	0	0	0	0	0	109
239	T	31.4	Very low	35.1	Very low	145 Å²	145	125.6 Å²	125.6	89%	0.89	78%	0.776	S	S	*	*			cis	-147.2	-177.9	6.4	55.7	0	0	0	0	108
240	G	32.1	Very low	35.1	Very low	65 Å²	65	127.7 Å²	127.7	67%	0.67	77%	0.772	S	S	*	*			cis	-173.8	-168.2	24.1	0	0	0	0	0	112.1
241	P	52.3	Low	35	Very low	119 Å²	119	130.7 Å²	130.7	77%	0.773	78%	0.783	S	S	*	*			trans	-140.3	-170.9	-139.6	43.8	-26.2	0	0	0	119.9
242	T	36	Very low	35.5	Very low	126 Å²	126	124.4 Å²	124.4	77%	0.773	78%	0.775	S	S	*	*			trans	85.6	106.7	149.3	40.5	0	0	0	0	124.7
243	A	32.9	Very low	35.8	Very low	90 Å²	90	129.2 Å²	129.2	74%	0.744	78%	0.778	S	S	*	*				63.5	165.5	109	0	0	0	0	0	122.9
244	P	53.8	Low	36	Very low	114 Å²	114	134.7 Å²	134.7	74%	0.74	79%	0.786	S	S	*	*			cis	-142.9	-175.4	-28.1	36.3	-15.4	0	0	0	117.6
245	S	35.3	Very low	35.9	Very low	125 Å²	125	129.2 Å²	129.2	87%	0.874	78%	0.783	S	S	*	*			trans	88.1	132.9	145.7	-61	0	0	0	0	123.7
246	G	27.1	Very low	35.7	Very low	79 Å²	79	124.9 Å²	124.9	81%	0.814	78%	0.78	S	S	*	*			trans	171.1	143.6	166	0	0	0	0	0	115.8
247	Y	28.4	Very low	35.4	Very low	231 Å²	231	126.2 Å²	126.2	91%	0.906	79%	0.79	S	S	*	*			trans	-131.6	-177.3	-175.1	-85.8	-78.7	0	0	0	110.4
248	P	53.7	Low	35.3	Very low	109 Å²	109	126.5 Å²	126.5	71%	0.708	79%	0.794	S	S	*	*			cis	-137.3	163.4	-37.9	36.9	-19.3	0	0	0	116.4
249	Q	33	Very low	35.1	Very low	167 Å²	167	129.3 Å²	129.3	78%	0.78	80%	0.802	S	S	*	*			trans	46.9	143.9	137.1	-142.9	-172.6	-3.5	0	0	125.4
250	Q	31.6	Very low	35.1	Very low	168 Å²	168	125.9 Å²	125.9	79%	0.785	80%	0.796	S	S	*	*			trans	95.8	111.3	136.9	-138	174.4	34	0	0	121.9
251	S	30.1	Very low	36.1	Very low	125 Å²	125	128.9 Å²	128.9	87%	0.874	80%	0.804	S	S	*	*				-177.6	152.1	111.6	51	0	0	0	0	112.1
252	G	43.8	Very low	35.1	Very low	79 Å²	79	132.2 Å²	132.2	81%	0.814	81%	0.809	S	S	*	*			trans	162.2	115.1	177.5	0	0	0	0	0	112
253	Q	34.1	Very low	35.2	Very low	172 Å²	172	131.4 Å²	131.4	80%	0.804	81%	0.806	S	S	*	*			trans	-160	122.3	-170.9	-166	172.7	10.8	0	0	113.9
254	F	32.2	Very low	35.1	Very low	205 Å²	205	130.5 Å²	130.5	90%	0.899	81%	0.805	S	S	*	*			trans	61.4	156.6	158.6	-78.4	-129.4	0	0	0	117.6
255	G	27.5	Very low	33.9	Very low	77 Å²	77	133.9 Å²	133.9	79%	0.794	81%	0.814	S	S	*	*			cis	-178	179.8	-4.1	0	0	0	0	0	108.1
256	G	28.6	Very low	33.9	Very low	62 Å²	62	133.6 Å²	133.6	64%	0.639	81%	0.809	S	S	*	*			cis	152.8	138.5	-5	0	0	0	0	0	111.6
257	L	30.5	Very low	34.1	Very low	160 Å²	160	133.6 Å²	133.6	84%	0.838	81%	0.808	S	S	*	*			trans	67.3	162.7	168.5	-67.8	89.8	0	0	0	117.7
258	M	32.5	Very low	34.2	Very low	168 Å²	168	126.6 Å²	126.6	83%	0.828	80%	0.798	S	S	*	*			cis	-165.8	154.7	-31.7	-108.4	-163.3	-170	0	0	111.2
259	S	29.8	Very low	33.2	Very low	129 Å²	129	130.9 Å²	130.9	90%	0.902	81%	0.806	S	S	*	*			trans	156.4	154	144.7	49	0	0	0	0	110
260	G	31.7	Very low	33.4	Very low	73 Å²	73	128.9 Å²	128.9	75%	0.753	81%	0.807	S	S	*	*			cis	-168.4	156.4	-10	0	0	0	0	0	109.5
261	P	53.6	Low	33.3	Very low	129 Å²	129	124.3 Å²	124.3	84%	0.838	81%	0.805	S	S	*	*			trans	-107.9	158.5	-160.1	39.4	-35	0	0	0	116.7
262	Q	30.1	Very low	33.4	Very low	189 Å²	189	124 Å²	124	88%	0.883	80%	0.803	S	S	*	*			trans	-147.5	152.9	156.4	-97	-85.9	-75.5	0	0	110.1
263	P	40	Very low	33.2	Very low	109 Å²	109	126.3 Å²	126.3	71%	0.708	80%	0.804	S	S	*	*			trans	-102.5	164	-163.6	39.2	-34.7	0	0	0	115.3
264	G	29.9	Very low	33.1	Very low	71 Å²	71	121.7 Å²	121.7	73%	0.732	80%	0.803	S	S	*	*			trans	-107.7	-165.3	177.1	0	0	0	0	0	114.8
265	M	29.3	Very low	33.2	Very low	185 Å²	185	115.8 Å²	115.8	91%	0.911	80%	0.799	S	S	*	*			trans	-136	155.9	173.4	-82.7	-66.8	-77.4	0	0	111.5
266	P	34.9	Very low	33.7	Very low	119 Å²	119	120.5 Å²	120.5	77%	0.773	81%	0.805	S	S	*	*			trans	-103	158.1	-161.5	38.8	-35.2	0	0	0	115.6
267	G	31.1	Very low	34.3	Very low	78 Å²	78	122.2 Å²	122.2	80%	0.804	81%	0.814	S	S	*	*			trans	-158	114.9	171.9	0	0	0	0	0	112.5
268	A	29.3	Very low	34.6	Very low	84 Å²	84	117.5 Å²	117.5	69%	0.694	80%	0.804	S	S	*	*			trans	-59.4	146.9	-169.5	0	0	0	0	0	116.7
269	F	33	Very low	34.9	Very low	200 Å²	200	115.1 Å²	115.1	88%	0.877	80%	0.801	S	S	*	*				176.3	154.4	101.3	-94.8	-76.4	0	0	0	110.2
270	P	37	Very low	35.5	Very low	124 Å²	124	114.8 Å²	114.8	81%	0.805	80%	0.795	S	S	*	*			trans	-93.1	140.8	-176.2	35	-29	0	0	0	112.8
271	G	31.2	Very low	36	Very low	72 Å²	72	120.4 Å²	120.4	74%	0.742	80%	0.802	S	S	*	*			trans	-159.5	96.4	179.8	0	0	0	0	0	115.3
272	S	32.4	Very low	35.7	Very low	119 Å²	119	123.7 Å²	123.7	83%	0.832	80%	0.803	S	S	*	*			trans	59.9	150.7	159.6	-60.8	0	0	0	0	120.2
273	P	37.6	Very low	36.8	Very low	128 Å²	128	122.9 Å²	122.9	83%	0.831	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-65.4	142.8	173.7	-19.6	33.2	0	0	0	112.5
274	G	33	Very low	37.8	Very low	75 Å²	75	122.6 Å²	122.6	77%	0.773	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-66.5	142.8	-177.8	0	0	0	0	0	113.7
275	G	34.2	Very low	39.6	Very low	80 Å²	80	123.7 Å²	123.7	83%	0.825	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-63.5	134.9	168.3	0	0	0	0	0	110.9	A277	G275-A277 PolarHBondContact O-N 3.05Å
276	L	39	Very low	41.3	Very low	176 Å²	176	116.4 Å²	116.4	92%	0.921	75%	0.745	S	S	*	*	P	Polyproline II helix	trans	-58.7	121.8	176	-74.5	161.3	0	0	0	110.1	G278	L276-G278 PolarHBondContact O-N 3.49Å
277	A	39.8	Very low	43.2	Very low	99 Å²	99	115.6 Å²	115.6	82%	0.818	73%	0.734	S	S	*	*	P	Polyproline II helix	trans	-59.6	121.6	164.6	0	0	0	0	0	108.3	G275	G275-A277 PolarHBondContact O-N 3.05Å
278	G	37.7	Very low	45.4	Very low	61 Å²	61	115.5 Å²	115.5	63%	0.629	72%	0.72	S	S	*	*	P	Polyproline II helix	trans	-58.9	147	177.9	0	0	0	0	0	111	L276	L276-G278 PolarHBondContact O-N 3.49Å
279	P	38.5	Very low	48.1	Very low	117 Å²	117	112.7 Å²	112.7	76%	0.76	69%	0.694	S	S	*	*	P	Polyproline II helix	trans	-57.8	140.1	178.6	25.6	-34.3	0	0	0	109.8	Q281	P279-Q281 PolarHBondContact O-N 3.37Å
280	P	41.3	Very low	50.7	Low	122 Å²	122	105.2 Å²	105.2	79%	0.792	67%	0.665	S	S	*	*	P	Polyproline II helix	trans	-58.2	128.2	-178.7	24.1	-33.6	0	0	0	109.6	K282	P280-K282 PolarHBondContact O-N 3.24Å
281	Q	43	Very low	53.4	Low	191 Å²	191	100.1 Å²	100.1	89%	0.893	63%	0.632	S	S	*	*			trans	-59.7	113.5	173.8	-73.4	-176.2	-29.7	0	0	108.3	P279 K283	P279-Q281 PolarHBondContact O-N 3.37Å; Q281-K283 PolarHBondContact O-N 2.69Å; Q281-K283 VanDerWaalsContact O-N 3.1Å
282	K	47.8	Very low	56.4	Low	198 Å²	198	96.7 Å²	96.7	86%	0.861	60%	0.597	S	S	*	*	P	Polyproline II helix	trans	-57.4	118.3	166.4	-76.3	-171.6	173.3	-172.9	0	107.2	P280 L284	P280-K282 PolarHBondContact O-N 3.24Å; K282-L284 PolarHBondContact O-N 3.45Å; K282-L284 VanDerWaalsContact O-N 3.08Å
283	K	51.9	Low	59.3	Low	172 Å²	172	92.1 Å²	92.1	75%	0.748	56%	0.564	S	S	*	*	P	Polyproline II helix	trans	-55.1	117.6	170.7	-163.3	-172.1	-178.9	-158.8	0	106.4	Q281 D285 E936	Q281-K283 PolarHBondContact O-N 2.69Å; Q281-K283 VanDerWaalsContact O-N 3.1Å; K283-D285 PolarHBondContact O-N 3.43Å; K283-E936 IonicContact NZ-OE1 2.74Å
284	L	61.4	Low	62	Low	103 Å²	103	91.1 Å²	91.1	54%	0.539	55%	0.548	S	S	.	.	P	Polyproline II helix	trans	-61.3	136.5	174.8	-87.2	154.1	0	0	0	108.3	K282 P286 M1043	K282-L284 PolarHBondContact O-N 3.45Å; K282-L284 VanDerWaalsContact O-N 3.08Å; L284-P286 WeakPolarHBondContact O-CD 3.39Å; L284-M1043 HydrophobicContact CB-CE 3.73Å; L284-M1043 HydrophobicContact CB-SD 4.08Å; L284-M1043 HydrophobicContact CD1-SD 4.37Å
285	D	67.5	Low	65	Low	94 Å²	94	89.4 Å²	89.4	50%	0.503	52%	0.523	S	S	.	.	P	Polyproline II helix	trans	-64.4	122.9	179	-173.7	-22.3	0	0	0	109.1	K283 D287 S288	K283-D285 PolarHBondContact O-N 3.43Å; D285-D287 PolarHBondContact O-N 2.95Å; D285-D287 VanDerWaalsContact O-N 3.17Å; D285-D287 PolarHBondContact OD1-N 3.24Å; D285-S288 WeakPolarHBondContact O-CB 3.2Å; D285-S288 PolarHBondContact O-N 3.29Å; D285-S288 PolarHBondContact O-OG 2.91Å
286	P	65.6	Low	68	Low	33 Å²	33	86.5 Å²	86.5	21%	0.214	49%	0.488	C	S	.	.	G	3₁₀ helix	trans	-55.2	-28.2	176.3	-26.2	35.9	0	0	0	113.8	L284 S288 I289 R932	L284-P286 WeakPolarHBondContact O-CD 3.39Å; P286-S288 VanDerWaalsContact C-N 3.3Å; P286-I289 WeakPolarHBondContact O-CG1 3.38Å; P286-R932 PolarHBondContact O-NH1 3.11Å; P286-R932 PolarHBondContact O-NH2 2.84Å
287	D	75.6	Confident	70.6	Confident	102 Å²	102	80.9 Å²	80.9	55%	0.545	46%	0.457	S	S	.	.	G	3₁₀ helix	trans	-82.9	-3.3	176.6	-75.5	-38.5	0	0	0	113.6	D285 R932 R937	D285-D287 PolarHBondContact O-N 2.95Å; D285-D287 VanDerWaalsContact O-N 3.17Å; D285-D287 PolarHBondContact OD1-N 3.24Å; D287-R932 IonicContact OD1-NH1 3.41Å; D287-R937 IonicContact OD1-CZ 2.75Å; D287-R937 IonicContact OD1-NH1 3.81Å; D287-R937 PolarHBondContact OD1-NH1 2.91Å; D287-R937 IonicContact OD1-NH2 3.39Å; D287-R937 PolarHBondContact OD1-NH2 3.46Å; D287-R937 IonicContact OD2-NH1 2.67Å; D287-R937 IonicContact OD2-NH2 3.15Å
288	S	76.8	Confident	73.3	Confident	75 Å²	75	80.3 Å²	80.3	52%	0.524	44%	0.44	S	S	.	.	G	3₁₀ helix	trans	-90.5	-5.4	173.9	72.6	0	0	0	0	115.2	D285 P286	D285-S288 WeakPolarHBondContact O-CB 3.2Å; D285-S288 PolarHBondContact O-N 3.29Å; D285-S288 PolarHBondContact O-OG 2.91Å; P286-S288 VanDerWaalsContact C-N 3.3Å
289	I	86	Confident	76.1	Confident	26 Å²	26	77.7 Å²	77.7	13%	0.133	41%	0.412	C	S	.	.	S	Bend	trans	-102.3	150	176.8	48.4	167.5	0	0	0	111.8	P286 S291 Y1042 M1043 L1046	P286-I289 WeakPolarHBondContact O-CG1 3.38Å; I289-S291 PolarHBondContact O-N 3.49Å; I289-Y1042 HydrophobicContact CB-CE1 4.46Å; I289-Y1042 HydrophobicContact CD1-CD1 3.8Å; I289-Y1042 HydrophobicContact CD1-CE1 3.82Å; I289-Y1042 HydrophobicContact CG1-CE1 4.37Å; I289-M1043 HydrophobicContact CD1-CE 3.7Å; I289-M1043 HydrophobicContact CD1-SD 4.34Å; I289-M1043 HydrophobicContact CG1-CE 4.23Å; I289-M1043 HydrophobicContact CG2-CE 4.17Å; I289-M1043 HydrophobicContact CG2-SD 4.36Å; I289-L1046 HydrophobicContact CB-CD1 4.1Å; I289-L1046 HydrophobicContact CD1-CD1 4.33Å; I289-L1046 HydrophobicContact CG2-CD1 3.76Å
290	P	88.3	Confident	78.8	Confident	43 Å²	43	74.8 Å²	74.8	28%	0.279	39%	0.387	S	S	.	.	P	Polyproline II helix	trans	-56.2	126.2	-174.2	-26	34.6	0	0	0	113.7	L860 K865 V866 Y1042	P290-L860 HydrophobicContact CG-CD1 4.42Å; P290-K865 HydrophobicContact CB-CB 4.31Å; P290-K865 WeakPolarHBondContact CB-O 3.42Å; P290-V866 HydrophobicContact CB-CG1 4.27Å; P290-Y1042 WeakPolarHBondContact O-CE1 3.43Å; P290-Y1042 PolarHBondContact O-OH 3.24Å
291	S	92.4	Very high	81.4	Confident	16 Å²	16	73.3 Å²	73.3	11%	0.112	39%	0.385	C	S	.	.	P	Polyproline II helix	trans	-98.2	133.4	177	175.2	0	0	0	0	111.9	I289 T293 Q294 V295 R932	I289-S291 PolarHBondContact O-N 3.49Å; S291-T293 VanDerWaalsContact C-N 3.31Å; S291-T293 PolarHBondContact O-N 3.2Å; S291-T293 PolarHBondContact OG-N 3.39Å; S291-T293 PolarHBondContact OG-OG1 3.14Å; S291-Q294 PolarHBondContact O-N 3.26Å; S291-Q294 PolarHBondContact OG-N 2.89Å; S291-V295 PolarHBondContact O-N 3.12Å; S291-R932 WeakPolarHBondContact OG-CD 3.2Å; S291-R932 WeakPolarHBondContact OG-CG 3.41Å
292	T	94.3	Very high	83.9	Confident	1 Å²	1	71.9 Å²	71.9	1%	0.006	37%	0.372	C	S	.	.	H	α-helix	trans	-59.1	-41.9	170.3	-44.1	0	0	0	0	111.6	V295 I296 V869 Y870 Y911	T292-V295 PolarHBondContact O-N 2.91Å; T292-I296 HydrophobicContact CG2-CD1 3.94Å; T292-I296 WeakPolarHBondContact O-CD1 3.29Å; T292-I296 VanDerWaalsContact O-CG1 3.24Å; T292-I296 WeakPolarHBondContact O-CG1 3.34Å; T292-I296 PolarHBondContact O-N 2.79Å; T292-I296 VanDerWaalsContact O-N 3.09Å; T292-V869 WeakPolarHBondContact OG1-CG1 3.46Å; T292-Y870 HydrophobicContact CG2-CE1 4.48Å; T292-Y870 HydrophobicContact CG2-CE2 4.15Å; T292-Y911 HydrophobicContact CG2-CD1 3.89Å; T292-Y911 HydrophobicContact CG2-CD2 4.15Å; T292-Y911 HydrophobicContact CG2-CE1 4.15Å; T292-Y911 HydrophobicContact CG2-CE2 4.39Å; T292-Y911 HydrophobicContact CG2-CG 3.89Å; T292-Y911 WeakPolarHBondContact OG1-CD2 3.44Å; T292-Y911 WeakPolarHBondContact OG1-CE2 3.29Å
293	T	93.6	Very high	86.2	Confident	22 Å²	22	64.8 Å²	64.8	14%	0.135	34%	0.343	C	S	.	.	H	α-helix	trans	-67.3	-39.8	-178.7	62	0	0	0	0	111.5	S291 V295 I296 E297 Y911 P930	S291-T293 VanDerWaalsContact C-N 3.31Å; S291-T293 PolarHBondContact O-N 3.2Å; S291-T293 PolarHBondContact OG-N 3.39Å; S291-T293 PolarHBondContact OG-OG1 3.14Å; T293-V295 PolarHBondContact O-N 2.96Å; T293-I296 PolarHBondContact O-N 2.71Å; T293-E297 WeakPolarHBondContact O-CG 3.43Å; T293-E297 PolarHBondContact O-N 2.92Å; T293-Y911 HydrophobicContact CG2-CE1 4.33Å; T293-P930 WeakPolarHBondContact CB-O 3.24Å; T293-P930 HydrophobicContact CG2-CB 4.32Å; T293-P930 WeakPolarHBondContact CG2-O 3.25Å
294	Q	94.6	Very high	88.2	Confident	108 Å²	108	58 Å²	58	51%	0.505	32%	0.322	S	S	.	.	H	α-helix	trans	-61.7	-46.1	175.7	-169.5	65.1	50.2	0	0	111.9	S291 I296 E297 D298	S291-Q294 PolarHBondContact O-N 3.26Å; S291-Q294 PolarHBondContact OG-N 2.89Å; Q294-I296 VanDerWaalsContact C-N 3.27Å; Q294-I296 PolarHBondContact O-N 2.69Å; Q294-E297 PolarHBondContact O-N 3.01Å; Q294-D298 PolarHBondContact NE2-OD1 3.03Å; Q294-D298 VanDerWaalsContact O-CB 3.29Å; Q294-D298 WeakPolarHBondContact O-CB 3.37Å; Q294-D298 PolarHBondContact O-N 3.46Å
295	V	96	Very high	89.7	Confident	39 Å²	39	56.4 Å²	56.4	24%	0.236	33%	0.331	C	S	.	.	H	α-helix	trans	-63.2	-34.2	179.1	172.8	0	0	0	0	112	S291 T292 T293 D299 L319 V866	S291-V295 PolarHBondContact O-N 3.12Å; T292-V295 PolarHBondContact O-N 2.91Å; T293-V295 PolarHBondContact O-N 2.96Å; V295-D299 PolarHBondContact O-N 3.24Å; V295-L319 HydrophobicContact CG1-CD1 4.11Å; V295-V866 HydrophobicContact CB-CG1 4.37Å; V295-V866 HydrophobicContact CG1-CG2 4.42Å; V295-V866 HydrophobicContact CG2-CG1 3.81Å
296	I	96.1	Very high	91	Very high	18 Å²	18	56.8 Å²	56.8	9%	0.092	33%	0.33	C	S	.	.	H	α-helix	trans	-68.7	-49.5	175.1	-68.7	168	0	0	0	111.2	T292 T293 Q294 D299 K300 T321	T292-I296 HydrophobicContact CG2-CD1 3.94Å; T292-I296 WeakPolarHBondContact O-CD1 3.29Å; T292-I296 VanDerWaalsContact O-CG1 3.24Å; T292-I296 WeakPolarHBondContact O-CG1 3.34Å; T292-I296 PolarHBondContact O-N 2.79Å; T292-I296 VanDerWaalsContact O-N 3.09Å; T293-I296 PolarHBondContact O-N 2.71Å; Q294-I296 VanDerWaalsContact C-N 3.27Å; Q294-I296 PolarHBondContact O-N 2.69Å; I296-D299 PolarHBondContact O-N 2.8Å; I296-K300 HydrophobicContact CG2-CD 3.99Å; I296-K300 WeakPolarHBondContact O-CG 3.36Å; I296-K300 PolarHBondContact O-N 2.67Å; I296-T321 HydrophobicContact CD1-CG2 3.89Å; I296-T321 HydrophobicContact CG1-CG2 4.1Å
297	E	95.1	Very high	92.6	Very high	58 Å²	58	59.4 Å²	59.4	27%	0.271	35%	0.345	S	S	.	.	H	α-helix	trans	-71	-31.4	-179.3	-57.7	-45.8	131	0	0	112.5	T293 Q294 K300 A301	T293-E297 WeakPolarHBondContact O-CG 3.43Å; T293-E297 PolarHBondContact O-N 2.92Å; Q294-E297 PolarHBondContact O-N 3.01Å; E297-K300 VanDerWaalsContact CD-NZ 3.27Å; E297-K300 PolarHBondContact O-N 3.08Å; E297-K300 IonicContact OE1-NZ 2.76Å; E297-K300 PolarHBondContact OE1-NZ 2.68Å; E297-K300 WeakPolarHBondContact OE2-CD 3.22Å; E297-K300 IonicContact OE2-NZ 2.68Å; E297-K300 PolarHBondContact OE2-NZ 2.85Å; E297-K300 VanDerWaalsContact OE2-NZ 3.1Å; E297-A301 VanDerWaalsContact O-CB 3.25Å; E297-A301 WeakPolarHBondContact O-CB 3.2Å; E297-A301 PolarHBondContact O-N 2.9Å
298	D	95.8	Very high	93.6	Very high	87 Å²	87	55.9 Å²	55.9	47%	0.465	32%	0.324	S	S	.	.	H	α-helix	trans	-61.5	-43.5	171.5	-73.9	-13.5	0	0	0	111.5	Q294 R302	Q294-D298 PolarHBondContact NE2-OD1 3.03Å; Q294-D298 VanDerWaalsContact O-CB 3.29Å; Q294-D298 WeakPolarHBondContact O-CB 3.37Å; Q294-D298 PolarHBondContact O-N 3.46Å; D298-R302 VanDerWaalsContact O-CB 3.28Å; D298-R302 WeakPolarHBondContact O-CB 3.42Å; D298-R302 PolarHBondContact O-N 3.48Å; D298-R302 VanDerWaalsContact O-N 3.17Å
299	D	96.6	Very high	94.6	Very high	7 Å²	7	53.6 Å²	53.6	4%	0.037	31%	0.309	C	S	.	.	H	α-helix	trans	-69.9	-41.8	178.3	-166.6	60	0	0	0	111.9	V295 I296 R302 L303 L319 T322	V295-D299 PolarHBondContact O-N 3.24Å; I296-D299 PolarHBondContact O-N 2.8Å; D299-R302 PolarHBondContact O-N 3.19Å; D299-R302 IonicContact OD1-CZ 3.28Å; D299-R302 IonicContact OD1-NE 2.67Å; D299-R302 IonicContact OD1-NH2 3.04Å; D299-R302 PolarHBondContact OD1-NH2 3.47Å; D299-L303 PolarHBondContact O-N 3.06Å; D299-L303 WeakPolarHBondContact OD1-CD1 3.49Å; D299-L319 HydrophobicContact CB-CD1 3.8Å; D299-L319 HydrophobicContact CB-CG 4.1Å; D299-L319 PolarHBondContact OD2-N 3.38Å; D299-T322 WeakPolarHBondContact OD2-CB 3.23Å; D299-T322 PolarHBondContact OD2-OG1 3.16Å
300	K	95.8	Very high	95.2	Very high	55 Å²	55	52.5 Å²	52.5	24%	0.239	30%	0.303	C	S	.	.	H	α-helix	trans	-60.4	-46.2	173	-74.1	166	169.4	-178.7	0	112.8	I296 E297 R302 G304 T321 T322	I296-K300 HydrophobicContact CG2-CD 3.99Å; I296-K300 WeakPolarHBondContact O-CG 3.36Å; I296-K300 PolarHBondContact O-N 2.67Å; E297-K300 VanDerWaalsContact CD-NZ 3.27Å; E297-K300 PolarHBondContact O-N 3.08Å; E297-K300 IonicContact OE1-NZ 2.76Å; E297-K300 PolarHBondContact OE1-NZ 2.68Å; E297-K300 WeakPolarHBondContact OE2-CD 3.22Å; E297-K300 IonicContact OE2-NZ 2.68Å; E297-K300 PolarHBondContact OE2-NZ 2.85Å; E297-K300 VanDerWaalsContact OE2-NZ 3.1Å; K300-R302 PolarHBondContact O-N 2.71Å; K300-G304 VanDerWaalsContact O-CA 3.24Å; K300-G304 WeakPolarHBondContact O-CA 3.26Å; K300-G304 PolarHBondContact O-N 3.4Å; K300-T321 WeakPolarHBondContact CE-O 3.44Å; K300-T322 HydrophobicContact CG-CG2 4.38Å
301	A	95.6	Very high	95.6	Very high	91 Å²	91	54.2 Å²	54.2	75%	0.752	31%	0.31	S	S	*	.	H	α-helix	trans	-63.5	-28.5	178.4	0	0	0	0	0	112.1	E297	E297-A301 VanDerWaalsContact O-CB 3.25Å; E297-A301 WeakPolarHBondContact O-CB 3.2Å; E297-A301 PolarHBondContact O-N 2.9Å
302	R	95.5	Very high	95.9	Very high	161 Å²	161	58.1 Å²	58.1	61%	0.608	33%	0.329	S	S	*	.	H	α-helix	trans	-87	-38.4	-179.6	-176.8	-178.9	61.8	-174.7	-1.4	114.3	D298 D299 K300 Q306	D298-R302 VanDerWaalsContact O-CB 3.28Å; D298-R302 WeakPolarHBondContact O-CB 3.42Å; D298-R302 PolarHBondContact O-N 3.48Å; D298-R302 VanDerWaalsContact O-N 3.17Å; D299-R302 PolarHBondContact O-N 3.19Å; D299-R302 IonicContact OD1-CZ 3.28Å; D299-R302 IonicContact OD1-NE 2.67Å; D299-R302 IonicContact OD1-NH2 3.04Å; D299-R302 PolarHBondContact OD1-NH2 3.47Å; K300-R302 PolarHBondContact O-N 2.71Å; R302-Q306 PolarHBondContact O-NE2 3.34Å
303	L	95.5	Very high	96.1	Very high	49 Å²	49	61.8 Å²	61.8	26%	0.257	34%	0.342	S	S	.	.	H	α-helix	trans	-129	-8.7	-167.6	-58.5	179.7	0	0	0	114.4	D299 Q306 P318 T322	D299-L303 PolarHBondContact O-N 3.06Å; D299-L303 WeakPolarHBondContact OD1-CD1 3.49Å; L303-Q306 WeakPolarHBondContact O-CB 3.25Å; L303-Q306 PolarHBondContact O-N 2.8Å; L303-P318 HydrophobicContact CB-CB 4.28Å; L303-P318 HydrophobicContact CB-CG 4.27Å; L303-P318 HydrophobicContact CD1-CB 3.9Å; L303-P318 HydrophobicContact CD1-CG 3.94Å; L303-T322 HydrophobicContact CB-CG2 4.41Å
304	G	94	Very high	96.2	Very high	30 Å²	30	61 Å²	61	31%	0.309	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.6	140.8	-179.7	0	0	0	0	0	112.8	K300 Q306 D323	K300-G304 VanDerWaalsContact O-CA 3.24Å; K300-G304 WeakPolarHBondContact O-CA 3.26Å; K300-G304 PolarHBondContact O-N 3.4Å; G304-Q306 PolarHBondContact O-N 2.85Å; G304-Q306 VanDerWaalsContact O-N 3.14Å; G304-D323 CarbonylContact C-O 3.59Å; G304-D323 WeakPolarHBondContact CA-O 3.11Å
305	G	93.1	Very high	96.4	Very high	70 Å²	70	58.2 Å²	58.2	72%	0.722	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.2	-2.5	-178.2	0	0	0	0	0	115.5	D323	G305-D323 PolarHBondContact N-O 3.17Å
306	Q	95.7	Very high	96.5	Very high	102 Å²	102	59.4 Å²	59.4	48%	0.477	33%	0.333	S	S	.	.			trans	-87.1	167.6	-177.8	-63.4	173.9	33.7	0	0	112.5	R302 L303 G304 T325	R302-Q306 PolarHBondContact O-NE2 3.34Å; L303-Q306 WeakPolarHBondContact O-CB 3.25Å; L303-Q306 PolarHBondContact O-N 2.8Å; G304-Q306 PolarHBondContact O-N 2.85Å; G304-Q306 VanDerWaalsContact O-N 3.14Å; Q306-T325 PolarHBondContact O-N 3.37Å
307	V	97.4	Very high	96.6	Very high	88 Å²	88	59.1 Å²	59.1	53%	0.533	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	114.5	175.2	-178.7	0	0	0	0	110.1	S309 T325 Q327	V307-S309 PolarHBondContact O-N 3.42Å; V307-T325 CarbonylContact C-O 3.6Å; V307-T325 VanDerWaalsContact CA-O 3.31Å; V307-T325 WeakPolarHBondContact CA-O 3.43Å; V307-Q327 HydrophobicContact CG1-CB 3.94Å
308	F	97.9	Very high	96.7	Very high	27 Å²	27	56.5 Å²	56.5	12%	0.118	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	99.3	170.5	-174	-103.7	0	0	0	109.7	T310 Q315 P317 P318 F324 T325 V326 Q327 P334	F308-T310 HydrophobicContact CD1-CG2 4.01Å; F308-T310 HydrophobicContact CE1-CG2 3.97Å; F308-Q315 HydrophobicContact CE2-CG 3.83Å; F308-Q315 VanDerWaalsContact CE2-NE2 3.33Å; F308-Q315 HydrophobicContact CZ-CB 4.47Å; F308-Q315 HydrophobicContact CZ-CG 3.77Å; F308-P317 HydrophobicContact CE1-CB 4Å; F308-P317 HydrophobicContact CE2-CB 4.33Å; F308-P317 HydrophobicContact CZ-CB 3.79Å; F308-P318 HydrophobicContact CD2-CG 4.33Å; F308-F324 HydrophobicContact CB-CD2 3.81Å; F308-F324 HydrophobicContact CB-CE2 4.16Å; F308-F324 HydrophobicContact CG-CE2 4.5Å; F308-T325 PolarHBondContact N-O 3.1Å; F308-V326 WeakPolarHBondContact O-CA 3.4Å; F308-Q327 PolarHBondContact O-N 3.23Å; F308-P334 HydrophobicContact CD1-CG 4.08Å; F308-P334 HydrophobicContact CE1-CG 4.07Å
309	S	98	Very high	96.8	Very high	28 Å²	28	54 Å²	54	20%	0.196	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	125.6	173.4	-60.7	0	0	0	0	110.2	V307 N311 Q315 Q327 Q329	V307-S309 PolarHBondContact O-N 3.42Å; S309-N311 PolarHBondContact O-N 3.41Å; S309-N311 VanDerWaalsContact O-N 3.1Å; S309-Q315 PolarHBondContact O-NE2 3.01Å; S309-Q315 VanDerWaalsContact O-NE2 3.15Å; S309-Q315 PolarHBondContact O-OE1 2.81Å; S309-Q315 VanDerWaalsContact O-OE1 3.09Å; S309-Q327 WeakPolarHBondContact CA-O 3.33Å; S309-Q329 PolarHBondContact OG-NE2 3.16Å
310	T	98.1	Very high	96.8	Very high	3 Å²	3	55.2 Å²	55.2	2%	0.018	31%	0.314	C	S	.	.			trans	-86.4	35.8	-172.5	67	0	0	0	0	114.1	F308 V326 Q327 D328 Q329 N331	F308-T310 HydrophobicContact CD1-CG2 4.01Å; F308-T310 HydrophobicContact CE1-CG2 3.97Å; T310-V326 HydrophobicContact CG2-CG1 3.77Å; T310-Q327 PolarHBondContact N-O 2.92Å; T310-D328 WeakPolarHBondContact OG1-CA 3.48Å; T310-Q329 PolarHBondContact OG1-N 3.06Å; T310-N331 WeakPolarHBondContact CB-O 3.42Å; T310-N331 WeakPolarHBondContact O-CB 3.25Å; T310-N331 PolarHBondContact O-N 2.94Å; T310-N331 PolarHBondContact O-ND2 2.93Å; T310-N331 PolarHBondContact OG1-O 3.17Å
311	N	97.2	Very high	96.8	Very high	79 Å²	79	53.8 Å²	53.8	42%	0.422	31%	0.31	S	S	.	.			trans	-89.3	-9	-170.3	54.2	25.1	0	0	0	115.3	S309 Q329	S309-N311 PolarHBondContact O-N 3.41Å; S309-N311 VanDerWaalsContact O-N 3.1Å; N311-Q329 HydrophobicContact CB-CB 3.8Å; N311-Q329 PolarHBondContact ND2-OE1 2.62Å
312	I	97.9	Very high	96.9	Very high	98 Å²	98	49.7 Å²	49.7	50%	0.503	28%	0.276	S	S	.	.	S	Bend	trans	-105.1	131.8	-178	-69.6	154.3	0	0	0	110.8	G314 Q315	I312-G314 PolarHBondContact O-N 3.27Å; I312-Q315 HydrophobicContact CB-CB 3.96Å; I312-Q315 HydrophobicContact CB-CG 4.26Å; I312-Q315 HydrophobicContact CG2-CB 4.03Å; I312-Q315 VanDerWaalsContact O-CB 3.28Å; I312-Q315 WeakPolarHBondContact O-CB 3.5Å; I312-Q315 PolarHBondContact O-N 2.84Å
313	R	97.8	Very high	96.8	Very high	77 Å²	77	47.7 Å²	47.7	29%	0.291	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.6	132.4	173.2	-178.3	177.9	75.5	-165.8	3.6	110.5	Q315 E764 E765 L766 L792 N793	R313-Q315 PolarHBondContact O-N 3.35Å; R313-E764 PolarHBondContact NH2-O 3.06Å; R313-E765 PolarHBondContact NH1-O 3.41Å; R313-E765 PolarHBondContact NH2-O 2.84Å; R313-L766 PolarHBondContact NH1-O 2.7Å; R313-L792 WeakPolarHBondContact CD-O 3.46Å; R313-L792 WeakPolarHBondContact CG-O 3.39Å; R313-N793 PolarHBondContact NE-OD1 2.65Å; R313-N793 PolarHBondContact O-ND2 3.22Å; R313-N793 PolarHBondContact O-OD1 3.11Å
314	G	97.4	Very high	96.8	Very high	6 Å²	6	46 Å²	46	6%	0.062	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	60.6	26.1	178.6	0	0	0	0	0	114.5	I312 Y342 S791 N793	I312-G314 PolarHBondContact O-N 3.27Å; G314-Y342 VanDerWaalsContact CA-O 3.26Å; G314-Y342 WeakPolarHBondContact CA-O 3.24Å; G314-S791 PolarHBondContact N-O 3.17Å; G314-N793 WeakPolarHBondContact CA-ND2 3.15Å
315	Q	97.8	Very high	97	Very high	50 Å²	50	46.4 Å²	46.4	23%	0.234	26%	0.264	C	S	.	.	P	Polyproline II helix	trans	-67.5	125.5	174.3	-172.3	-179.7	2	0	0	110.4	F308 S309 I312 R313	F308-Q315 HydrophobicContact CE2-CG 3.83Å; F308-Q315 VanDerWaalsContact CE2-NE2 3.33Å; F308-Q315 HydrophobicContact CZ-CB 4.47Å; F308-Q315 HydrophobicContact CZ-CG 3.77Å; S309-Q315 PolarHBondContact O-NE2 3.01Å; S309-Q315 VanDerWaalsContact O-NE2 3.15Å; S309-Q315 PolarHBondContact O-OE1 2.81Å; S309-Q315 VanDerWaalsContact O-OE1 3.09Å; I312-Q315 HydrophobicContact CB-CB 3.96Å; I312-Q315 HydrophobicContact CB-CG 4.26Å; I312-Q315 HydrophobicContact CG2-CB 4.03Å; I312-Q315 VanDerWaalsContact O-CB 3.28Å; I312-Q315 WeakPolarHBondContact O-CB 3.5Å; I312-Q315 PolarHBondContact O-N 2.84Å; R313-Q315 PolarHBondContact O-N 3.35Å
316	V	97.8	Very high	97.2	Very high	64 Å²	64	43.5 Å²	43.5	39%	0.388	23%	0.232	S	C	.	.	P	Polyproline II helix	trans	-74.8	125.5	174.5	-174.5	0	0	0	0	108.9	Y342 C804	V316-Y342 HydrophobicContact CB-CD2 4.34Å; V316-Y342 HydrophobicContact CG1-CD2 4.2Å; V316-Y342 HydrophobicContact CG1-CE2 4.41Å; V316-Y342 HydrophobicContact CG2-CD2 4.12Å; V316-C804 HydrophobicContact CG2-CB 4.2Å
317	P	97.9	Very high	97.3	Very high	11 Å²	11	42.9 Å²	42.9	7%	0.071	23%	0.229	C	C	.	.	P	Polyproline II helix	trans	-79.3	165.1	176.2	33.9	-35.4	0	0	0	112.4	F308 P334 Y342	F308-P317 HydrophobicContact CE1-CB 4Å; F308-P317 HydrophobicContact CE2-CB 4.33Å; F308-P317 HydrophobicContact CZ-CB 3.79Å; P317-P334 HydrophobicContact CB-CB 3.57Å; P317-P334 HydrophobicContact CB-CG 3.79Å; P317-P334 HydrophobicContact CG-CB 3.89Å; P317-Y342 HydrophobicContact CG-CE1 4.24Å; P317-Y342 HydrophobicContact CG-CE2 4.08Å; P317-Y342 WeakPolarHBondContact CG-OH 3.21Å
318	P	98.1	Very high	97.3	Very high	4 Å²	4	40.3 Å²	40.3	3%	0.026	21%	0.213	C	C	.	.	P	Polyproline II helix	trans	-60.6	163	168.7	-14.9	28	0	0	0	111.7	L303 F308 T322 F324 R338	L303-P318 HydrophobicContact CB-CB 4.28Å; L303-P318 HydrophobicContact CB-CG 4.27Å; L303-P318 HydrophobicContact CD1-CB 3.9Å; L303-P318 HydrophobicContact CD1-CG 3.94Å; F308-P318 HydrophobicContact CD2-CG 4.33Å; P318-T322 HydrophobicContact CB-CG2 4.08Å; P318-F324 HydrophobicContact CB-CD1 3.66Å; P318-F324 HydrophobicContact CB-CE1 3.65Å; P318-F324 HydrophobicContact CB-CG 4.28Å; P318-F324 HydrophobicContact CB-CZ 4.23Å; P318-F324 HydrophobicContact CG-CB 4.48Å; P318-F324 HydrophobicContact CG-CD1 3.71Å; P318-F324 HydrophobicContact CG-CD2 4.03Å; P318-F324 HydrophobicContact CG-CE1 3.85Å; P318-F324 HydrophobicContact CG-CE2 4.11Å; P318-F324 HydrophobicContact CG-CG 3.83Å; P318-F324 HydrophobicContact CG-CZ 4.04Å; P318-R338 PolarHBondContact O-NH1 2.95Å; P318-R338 PolarHBondContact O-NH2 3.15Å
319	L	97.8	Very high	97.3	Very high	34 Å²	34	42.7 Å²	42.7	18%	0.178	22%	0.224	C	C	.	.	P	Polyproline II helix	trans	-63.5	158.3	178.9	-61	179.5	0	0	0	111.9	V295 D299 T321 T322	V295-L319 HydrophobicContact CG1-CD1 4.11Å; D299-L319 HydrophobicContact CB-CD1 3.8Å; D299-L319 HydrophobicContact CB-CG 4.1Å; D299-L319 PolarHBondContact OD2-N 3.38Å; L319-T321 WeakPolarHBondContact CB-OG1 3.38Å; L319-T321 PolarHBondContact O-N 3.38Å; L319-T321 VanDerWaalsContact O-N 3.17Å; L319-T322 PolarHBondContact O-N 3.08Å; L319-T322 VanDerWaalsContact O-N 3.16Å
320	V	96.7	Very high	97.2	Very high	33 Å²	33	41.7 Å²	41.7	20%	0.2	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66	-13.5	175.4	-68.5	0	0	0	0	113.7	D808 V903 E904 Q907	V320-D808 HydrophobicContact CG2-CB 4.17Å; V320-V903 HydrophobicContact CG1-CB 3.9Å; V320-V903 HydrophobicContact CG1-CG1 3.65Å; V320-V903 HydrophobicContact CG2-CG1 4.19Å; V320-E904 HydrophobicContact CB-CB 4.03Å; V320-E904 HydrophobicContact CG1-CB 4.4Å; V320-E904 HydrophobicContact CG2-CB 4.46Å; V320-Q907 HydrophobicContact CG2-CB 3.96Å; V320-Q907 HydrophobicContact CG2-CG 3.92Å
321	T	95.9	Very high	97.2	Very high	24 Å²	24	42.1 Å²	42.1	15%	0.147	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.8	-3.4	178.3	52.1	0	0	0	0	113.5	I296 K300 L319 Q907	I296-T321 HydrophobicContact CD1-CG2 3.89Å; I296-T321 HydrophobicContact CG1-CG2 4.1Å; K300-T321 WeakPolarHBondContact CE-O 3.44Å; L319-T321 WeakPolarHBondContact CB-OG1 3.38Å; L319-T321 PolarHBondContact O-N 3.38Å; L319-T321 VanDerWaalsContact O-N 3.17Å; T321-Q907 HydrophobicContact CG2-CG 4.19Å
322	T	96.8	Very high	97.3	Very high	5 Å²	5	38.6 Å²	38.6	3%	0.031	20%	0.203	C	C	.	.	S	Bend	trans	-99.4	129.9	179.1	-62.1	0	0	0	0	109.7	D299 K300 L303 P318 L319 F324	D299-T322 WeakPolarHBondContact OD2-CB 3.23Å; D299-T322 PolarHBondContact OD2-OG1 3.16Å; K300-T322 HydrophobicContact CG-CG2 4.38Å; L303-T322 HydrophobicContact CB-CG2 4.41Å; P318-T322 HydrophobicContact CB-CG2 4.08Å; L319-T322 PolarHBondContact O-N 3.08Å; L319-T322 VanDerWaalsContact O-N 3.16Å; T322-F324 HydrophobicContact CG2-CD1 4.2Å; T322-F324 WeakPolarHBondContact O-CD1 3.49Å; T322-F324 WeakPolarHBondContact O-CE1 3.44Å
323	D	93.8	Very high	97.3	Very high	119 Å²	119	34.1 Å²	34.1	64%	0.636	18%	0.18	S	C	*	.			trans	-86.1	111.4	173.9	-75.3	-56.4	0	0	0	110	G304 G305	G304-D323 CarbonylContact C-O 3.59Å; G304-D323 WeakPolarHBondContact CA-O 3.11Å; G305-D323 PolarHBondContact N-O 3.17Å
324	F	96.1	Very high	97.3	Very high	15 Å²	15	30.9 Å²	30.9	7%	0.066	17%	0.169	C	C	.	.			trans	-138.3	164.3	178.4	59.4	-83.6	0	0	0	110.7	F308 P318 T322 V326 P334 R335	F308-F324 HydrophobicContact CB-CD2 3.81Å; F308-F324 HydrophobicContact CB-CE2 4.16Å; F308-F324 HydrophobicContact CG-CE2 4.5Å; P318-F324 HydrophobicContact CB-CD1 3.66Å; P318-F324 HydrophobicContact CB-CE1 3.65Å; P318-F324 HydrophobicContact CB-CG 4.28Å; P318-F324 HydrophobicContact CB-CZ 4.23Å; P318-F324 HydrophobicContact CG-CB 4.48Å; P318-F324 HydrophobicContact CG-CD1 3.71Å; P318-F324 HydrophobicContact CG-CD2 4.03Å; P318-F324 HydrophobicContact CG-CE1 3.85Å; P318-F324 HydrophobicContact CG-CE2 4.11Å; P318-F324 HydrophobicContact CG-CG 3.83Å; P318-F324 HydrophobicContact CG-CZ 4.04Å; T322-F324 HydrophobicContact CG2-CD1 4.2Å; T322-F324 WeakPolarHBondContact O-CD1 3.49Å; T322-F324 WeakPolarHBondContact O-CE1 3.44Å; F324-V326 HydrophobicContact CD2-CG2 3.87Å; F324-V326 HydrophobicContact CE2-CG2 3.51Å; F324-P334 HydrophobicContact CE2-CG 3.84Å; F324-P334 HydrophobicContact CZ-CG 3.97Å; F324-R335 PolarHBondContact O-NH2 3.18Å
325	T	97.7	Very high	97.4	Very high	38 Å²	38	33.8 Å²	33.8	23%	0.233	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	134.4	173.8	-58.1	0	0	0	0	109.9	Q306 V307 F308 N371 E372	Q306-T325 PolarHBondContact O-N 3.37Å; V307-T325 CarbonylContact C-O 3.6Å; V307-T325 VanDerWaalsContact CA-O 3.31Å; V307-T325 WeakPolarHBondContact CA-O 3.43Å; F308-T325 PolarHBondContact N-O 3.1Å; T325-N371 WeakPolarHBondContact CG2-ND2 3.18Å; T325-N371 PolarHBondContact OG1-ND2 3.12Å; T325-N371 VanDerWaalsContact OG1-ND2 3.09Å; T325-E372 HydrophobicContact CG2-CG 3.94Å
326	V	97.9	Very high	97.4	Very high	8 Å²	8	31.7 Å²	31.7	5%	0.048	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	137.2	176.8	-176.8	0	0	0	0	110.9	F308 T310 F324 P334 E372	F308-V326 WeakPolarHBondContact O-CA 3.4Å; T310-V326 HydrophobicContact CG2-CG1 3.77Å; F324-V326 HydrophobicContact CD2-CG2 3.87Å; F324-V326 HydrophobicContact CE2-CG2 3.51Å; V326-P334 HydrophobicContact CG2-CG 4.16Å; V326-E372 PolarHBondContact N-OE1 2.92Å
327	Q	97.9	Very high	97.4	Very high	89 Å²	89	29 Å²	29	42%	0.416	15%	0.151	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	115.2	163.4	-167.6	-179	29	0	0	109	V307 F308 S309 T310 Q329	V307-Q327 HydrophobicContact CG1-CB 3.94Å; F308-Q327 PolarHBondContact O-N 3.23Å; S309-Q327 WeakPolarHBondContact CA-O 3.33Å; T310-Q327 PolarHBondContact N-O 2.92Å; Q327-Q329 HydrophobicContact CG-CG 4.28Å; Q327-Q329 PolarHBondContact O-N 2.99Å
328	D	97.8	Very high	97.5	Very high	34 Å²	34	29 Å²	29	18%	0.182	15%	0.15	C	C	.	.			trans	-68.2	124.9	174	-164.3	-33.9	0	0	0	109.5	T310 G330 L444 G445 S446	T310-D328 WeakPolarHBondContact OG1-CA 3.48Å; D328-G330 PolarHBondContact OD1-N 3.45Å; D328-L444 HydrophobicContact CB-CD2 4.33Å; D328-L444 WeakPolarHBondContact O-CD2 3.4Å; D328-G445 VanDerWaalsContact CG-N 3.3Å; D328-G445 PolarHBondContact OD1-N 3.43Å; D328-G445 PolarHBondContact OD2-N 2.9Å; D328-G445 VanDerWaalsContact OD2-N 3.17Å; D328-S446 PolarHBondContact OD2-N 3.09Å; D328-S446 PolarHBondContact OD2-OG 2.82Å
329	Q	96.9	Very high	97.5	Very high	78 Å²	78	28.9 Å²	28.9	36%	0.364	15%	0.149	S	C	.	.	S	Bend	trans	-137.7	32.8	175.7	-63.7	-169.9	10.2	0	0	111.3	S309 T310 N311 Q327 S443	S309-Q329 PolarHBondContact OG-NE2 3.16Å; T310-Q329 PolarHBondContact OG1-N 3.06Å; N311-Q329 HydrophobicContact CB-CB 3.8Å; N311-Q329 PolarHBondContact ND2-OE1 2.62Å; Q327-Q329 HydrophobicContact CG-CG 4.28Å; Q327-Q329 PolarHBondContact O-N 2.99Å; Q329-S443 CarbonylContact C-O 3.52Å
330	G	95.8	Very high	97.6	Very high	7 Å²	7	27.3 Å²	27.3	7%	0.072	14%	0.141	C	C	.	.	S	Bend	trans	123.6	-12	168.8	0	0	0	0	0	115.9	D328 Y398 S443	D328-G330 PolarHBondContact OD1-N 3.45Å; G330-Y398 PolarHBondContact O-OH 3.4Å; G330-S443 WeakPolarHBondContact CA-O 3.42Å; G330-S443 PolarHBondContact N-O 2.86Å
331	N	98.6	Very high	97.7	Very high	12 Å²	12	25.8 Å²	25.8	6%	0.064	13%	0.132	C	C	.	.	S	Bend	trans	-117.6	144.4	166.7	-62.3	-85.3	0	0	0	110	T310 Y398 L790 S791	T310-N331 WeakPolarHBondContact CB-O 3.42Å; T310-N331 WeakPolarHBondContact O-CB 3.25Å; T310-N331 PolarHBondContact O-N 2.94Å; T310-N331 PolarHBondContact O-ND2 2.93Å; T310-N331 PolarHBondContact OG1-O 3.17Å; N331-Y398 PolarHBondContact OD1-OH 2.89Å; N331-L790 HydrophobicContact CB-CD1 3.98Å; N331-S791 WeakPolarHBondContact OD1-CB 3.24Å; N331-S791 PolarHBondContact OD1-N 2.76Å; N331-S791 PolarHBondContact OD1-OG 3.38Å
332	A	98.7	Very high	97.8	Very high	5 Å²	5	24.9 Å²	24.9	4%	0.041	13%	0.126	C	C	.	.			trans	-59.9	145.5	-178.3	0	0	0	0	0	112	S446 H788 N789	A332-S446 WeakPolarHBondContact CA-OG 3.28Å; A332-S446 WeakPolarHBondContact CB-OG 3.29Å; A332-H788 HydrophobicContact CB-CB 3.94Å; A332-N789 WeakPolarHBondContact CB-O 3.49Å; A332-N789 PolarHBondContact N-O 3.19Å
333	S	98.6	Very high	97.8	Very high	4 Å²	4	25 Å²	25	3%	0.028	13%	0.126	C	C	.	.			trans	-56.2	141.4	177.6	173.4	0	0	0	0	111.8	R335 F336 I337	S333-R335 PolarHBondContact O-N 3.4Å; S333-R335 PolarHBondContact OG-N 3.41Å; S333-F336 PolarHBondContact O-N 2.9Å; S333-I337 PolarHBondContact O-N 2.95Å
334	P	98.3	Very high	98.1	Very high	9 Å²	9	19.6 Å²	19.6	6%	0.058	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.3	6.7	171.1	31.4	-37.9	0	0	0	114	F308 P317 F324 V326 I337 R338	F308-P334 HydrophobicContact CD1-CG 4.08Å; F308-P334 HydrophobicContact CE1-CG 4.07Å; P317-P334 HydrophobicContact CB-CB 3.57Å; P317-P334 HydrophobicContact CB-CG 3.79Å; P317-P334 HydrophobicContact CG-CB 3.89Å; F324-P334 HydrophobicContact CE2-CG 3.84Å; F324-P334 HydrophobicContact CZ-CG 3.97Å; V326-P334 HydrophobicContact CG2-CG 4.16Å; P334-I337 WeakPolarHBondContact CA-O 3.39Å; P334-R338 HydrophobicContact CB-CG 4.26Å; P334-R338 WeakPolarHBondContact O-CG 3.2Å; P334-R338 PolarHBondContact O-NE 3.02Å
335	R	97.7	Very high	98.1	Very high	67 Å²	67	18.9 Å²	18.9	25%	0.253	9%	0.094	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.6	-30.2	161.9	-57	-173.6	-166.3	-67.7	-4.5	112.5	F324 S333 A366 E372	F324-R335 PolarHBondContact O-NH2 3.18Å; S333-R335 PolarHBondContact O-N 3.4Å; S333-R335 PolarHBondContact OG-N 3.41Å; R335-A366 HydrophobicContact CB-CB 4.38Å; R335-A366 WeakPolarHBondContact O-CB 3.31Å; R335-E372 WeakPolarHBondContact CD-OE2 3.36Å; R335-E372 IonicContact CZ-OE1 3.36Å; R335-E372 VanDerWaalsContact CZ-OE1 3.28Å; R335-E372 IonicContact CZ-OE2 2.78Å; R335-E372 VanDerWaalsContact NE-CD 3.31Å; R335-E372 IonicContact NE-OE1 2.82Å; R335-E372 PolarHBondContact NE-OE1 3.46Å; R335-E372 IonicContact NE-OE2 2.69Å; R335-E372 PolarHBondContact NE-OE2 3.08Å; R335-E372 IonicContact NH2-OE1 3.15Å; R335-E372 PolarHBondContact NH2-OE1 3.38Å; R335-E372 IonicContact NH2-OE2 3.54Å
336	F	98.6	Very high	98.2	Very high	6 Å²	6	17.7 Å²	17.7	3%	0.026	9%	0.087	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.5	-40.2	-179.9	-62.4	-56.4	0	0	0	113.3	S333 I362 K363 A366 L368 L375 S446 H788	S333-F336 PolarHBondContact O-N 2.9Å; F336-I362 CarbonylContact O-C 3.47Å; F336-I362 WeakPolarHBondContact O-CA 3.47Å; F336-K363 PolarHBondContact O-N 3Å; F336-A366 HydrophobicContact CD1-CB 3.88Å; F336-A366 HydrophobicContact CE1-CB 4.16Å; F336-A366 WeakPolarHBondContact CE1-O 3.49Å; F336-L368 HydrophobicContact CE1-CD2 4.37Å; F336-L368 HydrophobicContact CE2-CD1 4.44Å; F336-L368 HydrophobicContact CE2-CD2 3.94Å; F336-L368 HydrophobicContact CZ-CD1 4Å; F336-L368 HydrophobicContact CZ-CD2 3.66Å; F336-L368 HydrophobicContact CZ-CG 3.9Å; F336-L375 HydrophobicContact CE2-CD2 3.89Å; F336-L375 HydrophobicContact CZ-CD1 4.12Å; F336-L375 HydrophobicContact CZ-CD2 3.97Å; F336-L375 HydrophobicContact CZ-CG 4.24Å; F336-S446 WeakPolarHBondContact CD2-OG 3.45Å; F336-H788 AromaticContact CD1-CE1 3.43Å; F336-H788 VanDerWaalsContact CD1-CE1 3.43Å; F336-H788 WeakPolarHBondContact CD1-CE1 3.33Å; F336-H788 AromaticContact CD1-NE2 3.93Å; F336-H788 AromaticContact CD2-CE1 3.48Å; F336-H788 VanDerWaalsContact CD2-CE1 3.48Å; F336-H788 WeakPolarHBondContact CD2-CE1 3.45Å; F336-H788 AromaticContact CD2-ND1 3.53Å; F336-H788 AromaticContact CE1-CE1 3.8Å; F336-H788 AromaticContact CE2-CE1 3.84Å; F336-H788 AromaticContact CG-CE1 3.27Å; F336-H788 WeakPolarHBondContact CG-CE1 3.42Å; F336-H788 AromaticContact CG-ND1 3.56Å; F336-H788 AromaticContact CZ-CE1 3.99Å
337	I	98.7	Very high	98.2	Very high	6 Å²	6	19.8 Å²	19.8	3%	0.031	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	128.3	-179.5	-56.2	-175.4	0	0	0	110.4	S333 P334 I361 I362 C772 H788 L790	S333-I337 PolarHBondContact O-N 2.95Å; P334-I337 WeakPolarHBondContact CA-O 3.39Å; I337-I361 WeakPolarHBondContact CA-O 3.29Å; I337-I362 HydrophobicContact CG1-CG1 4.31Å; I337-I362 HydrophobicContact CG1-CG2 4.16Å; I337-I362 HydrophobicContact CG2-CG1 4.45Å; I337-C772 HydrophobicContact CD1-CB 4.18Å; I337-H788 HydrophobicContact CD1-CB 3.7Å; I337-H788 HydrophobicContact CG1-CB 4.3Å; I337-L790 HydrophobicContact CB-CD2 4.26Å; I337-L790 HydrophobicContact CG2-CD2 3.65Å
338	R	98.8	Very high	98.2	Very high	12 Å²	12	16.8 Å²	16.8	5%	0.045	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	159.7	165.2	-71.2	-177.5	168.2	-104.1	5.9	111.2	P318 P334 Y342 S360 I361 E806 S809 V903	P318-R338 PolarHBondContact O-NH1 2.95Å; P318-R338 PolarHBondContact O-NH2 3.15Å; P334-R338 HydrophobicContact CB-CG 4.26Å; P334-R338 WeakPolarHBondContact O-CG 3.2Å; P334-R338 PolarHBondContact O-NE 3.02Å; R338-Y342 WeakPolarHBondContact CA-OH 3.29Å; R338-Y342 WeakPolarHBondContact CB-OH 3.26Å; R338-S360 CarbonylContact O-C 3.53Å; R338-S360 WeakPolarHBondContact O-CA 3.47Å; R338-S360 WeakPolarHBondContact O-CB 3.3Å; R338-I361 PolarHBondContact N-O 2.92Å; R338-I361 PolarHBondContact O-N 3.43Å; R338-E806 IonicContact CZ-OE2 3.86Å; R338-E806 IonicContact NH1-OE1 2.87Å; R338-E806 IonicContact NH1-OE2 3.96Å; R338-E806 PolarHBondContact NH1-OE2 3.47Å; R338-S809 WeakPolarHBondContact CB-OG 3.39Å; R338-V903 HydrophobicContact CB-CG2 4.2Å
339	C	98.8	Very high	98.2	Very high	1 Å²	1	20.5 Å²	20.5	1%	0.007	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	147.5	-175.9	-66.2	0	0	0	0	112	T341 Y342 A359 E806	C339-T341 WeakPolarHBondContact CB-O 3.23Å; C339-T341 PolarHBondContact O-N 2.83Å; C339-Y342 HydrophobicContact CB-CD1 4.05Å; C339-Y342 HydrophobicContact CB-CE1 3.78Å; C339-Y342 HydrophobicContact CB-CE2 4.39Å; C339-Y342 HydrophobicContact CB-CG 4.45Å; C339-Y342 PolarHBondContact N-OH 2.94Å; C339-Y342 WeakPolarHBondContact O-CE2 3.22Å; C339-A359 WeakPolarHBondContact CA-O 3.35Å; C339-E806 WeakPolarHBondContact O-CB 3.45Å
340	T	98.8	Very high	98.2	Very high	1 Å²	1	17.9 Å²	17.9	1%	0.006	10%	0.095	C	C	.	.	S	Bend	trans	-64.5	-29.7	173.5	53	0	0	0	0	112.8	P357 A359 C805 E806 L810 F813	T340-P357 VanDerWaalsContact CB-O 3.25Å; T340-P357 WeakPolarHBondContact CB-O 3.48Å; T340-P357 PolarHBondContact OG1-O 3.35Å; T340-A359 HydrophobicContact CG2-CB 3.87Å; T340-A359 PolarHBondContact N-O 3.28Å; T340-A359 PolarHBondContact OG1-N 3.25Å; T340-A359 PolarHBondContact OG1-O 3Å; T340-C805 VanDerWaalsContact O-CA 3.28Å; T340-C805 WeakPolarHBondContact O-CA 3.39Å; T340-E806 PolarHBondContact O-N 2.93Å; T340-L810 HydrophobicContact CG2-CD2 3.95Å; T340-L810 HydrophobicContact CG2-CG 4.29Å; T340-F813 HydrophobicContact CG2-CB 4.3Å
341	T	98.5	Very high	98.2	Very high	1 Å²	1	18 Å²	18	1%	0.006	10%	0.096	C	C	.	.	B	Isolated β-bridge	trans	-147.3	145	161.4	-179.6	0	0	0	0	110.9	C339 S343 L344 L358 M801 C804	C339-T341 WeakPolarHBondContact CB-O 3.23Å; C339-T341 PolarHBondContact O-N 2.83Å; T341-S343 WeakPolarHBondContact CG2-O 3.48Å; T341-S343 PolarHBondContact OG1-N 2.9Å; T341-S343 PolarHBondContact OG1-O 2.95Å; T341-L344 HydrophobicContact CG2-CD2 4.29Å; T341-L358 HydrophobicContact CG2-CD2 4.14Å; T341-M801 PolarHBondContact OG1-O 3.31Å; T341-C804 VanDerWaalsContact CA-O 3.29Å; T341-C804 WeakPolarHBondContact CA-O 3.27Å; T341-C804 PolarHBondContact OG1-O 2.78Å
342	Y	98.6	Very high	98.1	Very high	6 Å²	6	23.4 Å²	23.4	2%	0.024	12%	0.119	C	C	.	.	S	Bend	trans	-92.1	1.9	176.6	-60.4	-89.3	0	0	0	113.3	G314 V316 P317 R338 C339 L792 N793 C804 E806	G314-Y342 VanDerWaalsContact CA-O 3.26Å; G314-Y342 WeakPolarHBondContact CA-O 3.24Å; V316-Y342 HydrophobicContact CB-CD2 4.34Å; V316-Y342 HydrophobicContact CG1-CD2 4.2Å; V316-Y342 HydrophobicContact CG1-CE2 4.41Å; V316-Y342 HydrophobicContact CG2-CD2 4.12Å; P317-Y342 HydrophobicContact CG-CE1 4.24Å; P317-Y342 HydrophobicContact CG-CE2 4.08Å; P317-Y342 WeakPolarHBondContact CG-OH 3.21Å; R338-Y342 WeakPolarHBondContact CA-OH 3.29Å; R338-Y342 WeakPolarHBondContact CB-OH 3.26Å; C339-Y342 HydrophobicContact CB-CD1 4.05Å; C339-Y342 HydrophobicContact CB-CE1 3.78Å; C339-Y342 HydrophobicContact CB-CE2 4.39Å; C339-Y342 HydrophobicContact CB-CG 4.45Å; C339-Y342 PolarHBondContact N-OH 2.94Å; C339-Y342 WeakPolarHBondContact O-CE2 3.22Å; Y342-L792 HydrophobicContact CD1-CD2 3.93Å; Y342-N793 PolarHBondContact O-N 3.26Å; Y342-C804 PolarHBondContact N-O 3.48Å; Y342-E806 HydrophobicContact CE2-CB 4.08Å; Y342-E806 WeakPolarHBondContact CE2-OE2 3.42Å; Y342-E806 PolarHBondContact OH-OE2 3.41Å
343	S	98.1	Very high	98	Very high	6 Å²	6	27.1 Å²	27.1	4%	0.042	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	107.2	169.9	-168.8	0	0	0	0	110.3	T341 N793 T795 M801	T341-S343 WeakPolarHBondContact CG2-O 3.48Å; T341-S343 PolarHBondContact OG1-N 2.9Å; T341-S343 PolarHBondContact OG1-O 2.95Å; S343-N793 CarbonylContact C-O 3.51Å; S343-N793 WeakPolarHBondContact CA-O 3.28Å; S343-T795 WeakPolarHBondContact OG-CG2 3.31Å; S343-M801 WeakPolarHBondContact O-CG 3.36Å
344	L	98.3	Very high	97.8	Very high	6 Å²	6	27 Å²	27	3%	0.031	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	145.3	-178.2	-59	-174	0	0	0	111.3	T341 L358 F724 L762 A768 L792 N793 C794 T795	T341-L344 HydrophobicContact CG2-CD2 4.29Å; L344-L358 HydrophobicContact CD2-CD2 4.2Å; L344-F724 HydrophobicContact CD1-CD2 4.31Å; L344-F724 HydrophobicContact CD1-CE2 4.18Å; L344-F724 HydrophobicContact CD1-CZ 4.39Å; L344-L762 HydrophobicContact CB-CD1 4Å; L344-L762 HydrophobicContact CD1-CD1 3.99Å; L344-A768 HydrophobicContact CD1-CB 3.63Å; L344-A768 HydrophobicContact CG-CB 4.47Å; L344-L792 HydrophobicContact CD1-CD1 4.34Å; L344-L792 HydrophobicContact CD2-CD1 4.01Å; L344-L792 HydrophobicContact CG-CD1 4.06Å; L344-N793 PolarHBondContact N-O 3.25Å; L344-C794 CarbonylContact O-C 3.44Å; L344-C794 VanDerWaalsContact O-CA 3.23Å; L344-C794 WeakPolarHBondContact O-CA 3.28Å; L344-T795 PolarHBondContact O-N 3.4Å
345	P	98.1	Very high	97.6	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.9	139.2	168.9	27.3	-33.8	0	0	0	110.6	T347 L350 A351 L358 H758 T795	P345-T347 VanDerWaalsContact C-N 3.26Å; P345-T347 PolarHBondContact O-N 3.29Å; P345-L350 HydrophobicContact CB-CB 3.96Å; P345-L350 HydrophobicContact CB-CD2 3.76Å; P345-L350 HydrophobicContact CB-CG 3.89Å; P345-A351 HydrophobicContact CB-CB 4.44Å; P345-A351 HydrophobicContact CG-CB 3.71Å; P345-L358 HydrophobicContact CG-CD1 3.92Å; P345-L358 HydrophobicContact CG-CD2 4.04Å; P345-H758 PolarHBondContact O-CE1 3.19Å; P345-H758 PolarHBondContact O-NE2 3.34Å; P345-T795 CarbonylContact C-O 3.58Å; P345-T795 WeakPolarHBondContact CA-O 3.43Å
346	C	98.3	Very high	97.6	Very high	13 Å²	13	26.1 Å²	26.1	9%	0.088	13%	0.132	C	C	.	.	S	Bend	trans	-68.8	-18.1	-178	-75.3	0	0	0	0	114.7	A761 L762 T795	C346-A761 WeakPolarHBondContact O-CA 3.41Å; C346-L762 PolarHBondContact O-N 3.34Å; C346-T795 PolarHBondContact N-O 3.2Å; C346-T795 PolarHBondContact SG-N 3.49Å; C346-T795 VanDerWaalsContact SG-N 3.36Å
347	T	98.2	Very high	97.5	Very high	52 Å²	52	25.8 Å²	25.8	32%	0.319	13%	0.131	S	C	.	.	S	Bend	trans	-138.1	153.8	-176.6	67.1	0	0	0	0	113.5	P345 E349 L350 A351	P345-T347 VanDerWaalsContact C-N 3.26Å; P345-T347 PolarHBondContact O-N 3.29Å; T347-E349 PolarHBondContact O-N 2.88Å; T347-L350 PolarHBondContact O-N 3.36Å; T347-L350 WeakPolarHBondContact OG1-CB 3.39Å; T347-L350 PolarHBondContact OG1-N 3.19Å; T347-A351 PolarHBondContact O-N 2.85Å
348	A	97.7	Very high	97.5	Very high	26 Å²	26	26 Å²	26	22%	0.215	13%	0.132	C	C	.	.	H	α-helix	trans	-55.7	-33.7	173.1	0	0	0	0	0	112.6	A351 K352 H758	A348-A351 PolarHBondContact O-N 3.36Å; A348-K352 WeakPolarHBondContact O-CB 3.36Å; A348-K352 VanDerWaalsContact O-CD 3.27Å; A348-K352 WeakPolarHBondContact O-CD 3.49Å; A348-K352 WeakPolarHBondContact O-CE 3.36Å; A348-K352 WeakPolarHBondContact O-CG 3.38Å; A348-K352 PolarHBondContact O-N 3.15Å; A348-H758 HydrophobicContact CB-CB 3.86Å
349	E	97.5	Very high	97.5	Very high	113 Å²	113	25.6 Å²	25.6	53%	0.528	13%	0.131	S	C	.	.	H	α-helix	trans	-69.5	-43.3	-179.7	-74	49.9	-112.7	0	0	110.8	T347 K352 Q353	T347-E349 PolarHBondContact O-N 2.88Å; E349-K352 PolarHBondContact O-N 3.35Å; E349-K352 IonicContact OE1-NZ 3.93Å; E349-K352 PolarHBondContact OE1-NZ 2.95Å; E349-Q353 WeakPolarHBondContact O-CB 3.19Å; E349-Q353 PolarHBondContact O-N 3.15Å
350	L	96.6	Very high	97.5	Very high	22 Å²	22	25.6 Å²	25.6	12%	0.115	13%	0.131	C	C	.	.	H	α-helix	trans	-65.8	-40	175.2	-165.7	67.1	0	0	0	111	P345 T347 Q353 C354 T795 L798	P345-L350 HydrophobicContact CB-CB 3.96Å; P345-L350 HydrophobicContact CB-CD2 3.76Å; P345-L350 HydrophobicContact CB-CG 3.89Å; T347-L350 PolarHBondContact O-N 3.36Å; T347-L350 WeakPolarHBondContact OG1-CB 3.39Å; T347-L350 PolarHBondContact OG1-N 3.19Å; L350-Q353 PolarHBondContact O-N 3.46Å; L350-C354 PolarHBondContact O-N 3.13Å; L350-C354 PolarHBondContact O-SG 3.42Å; L350-T795 WeakPolarHBondContact CD2-O 3.4Å; L350-L798 HydrophobicContact CD1-CD1 4.41Å; L350-L798 HydrophobicContact CD1-CD2 3.58Å; L350-L798 HydrophobicContact CD1-CG 3.73Å; L350-L798 HydrophobicContact CG-CD2 3.9Å
351	A	97.1	Very high	97.5	Very high	10 Å²	10	25.8 Å²	25.8	8%	0.083	13%	0.132	C	C	.	.	H	α-helix	trans	-62.9	-40.5	173.1	0	0	0	0	0	112.9	Y6 P345 T347 A348 C354 Q355 L358	Y6-A351 PolarHBondContact OH-O 2.89Å; P345-A351 HydrophobicContact CB-CB 4.44Å; P345-A351 HydrophobicContact CG-CB 3.71Å; T347-A351 PolarHBondContact O-N 2.85Å; A348-A351 PolarHBondContact O-N 3.36Å; A351-C354 PolarHBondContact O-SG 3.04Å; A351-Q355 PolarHBondContact O-N 3.02Å; A351-Q355 VanDerWaalsContact O-N 3.16Å; A351-L358 HydrophobicContact CB-CD1 4.42Å
352	K	96.6	Very high	97.5	Very high	126 Å²	126	25.8 Å²	25.8	55%	0.548	13%	0.132	S	C	.	.	H	α-helix	trans	-67.1	-36.3	173.7	-69.7	157.7	-161.5	167.1	0	112.1	A348 E349 Q355	A348-K352 WeakPolarHBondContact O-CB 3.36Å; A348-K352 VanDerWaalsContact O-CD 3.27Å; A348-K352 WeakPolarHBondContact O-CD 3.49Å; A348-K352 WeakPolarHBondContact O-CE 3.36Å; A348-K352 WeakPolarHBondContact O-CG 3.38Å; A348-K352 PolarHBondContact O-N 3.15Å; E349-K352 PolarHBondContact O-N 3.35Å; E349-K352 IonicContact OE1-NZ 3.93Å; E349-K352 PolarHBondContact OE1-NZ 2.95Å; K352-Q355 WeakPolarHBondContact O-CG 3.17Å
353	Q	96	Very high	97.5	Very high	83 Å²	83	26.1 Å²	26.1	39%	0.388	13%	0.134	S	C	.	.	H	α-helix	trans	-70.1	-40	179	178.8	178.1	-8.6	0	0	112.3	E349 L350 L798 C844	E349-Q353 WeakPolarHBondContact O-CB 3.19Å; E349-Q353 PolarHBondContact O-N 3.15Å; L350-Q353 PolarHBondContact O-N 3.46Å; Q353-L798 HydrophobicContact CG-CD1 4.47Å; Q353-C844 PolarHBondContact O-SG 2.8Å
354	C	93.6	Very high	97.5	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-78.8	-32.2	-179.6	74.4	0	0	0	0	113.8	L350 A351 V356 L798 M801 Y802 M841	L350-C354 PolarHBondContact O-N 3.13Å; L350-C354 PolarHBondContact O-SG 3.42Å; A351-C354 PolarHBondContact O-SG 3.04Å; C354-V356 HydrophobicContact CB-CG2 4.19Å; C354-V356 PolarHBondContact O-N 3.33Å; C354-V356 PolarHBondContact SG-N 3.12Å; C354-L798 HydrophobicContact CB-CD2 3.82Å; C354-M801 HydrophobicContact CB-CE 3.82Å; C354-M801 HydrophobicContact CB-SD 3.92Å; C354-M801 VanDerWaalsContact SG-SD 3.64Å; C354-Y802 PolarHBondContact O-OH 2.98Å; C354-M841 WeakPolarHBondContact O-CA 3.31Å; C354-M841 WeakPolarHBondContact O-CG 3.34Å
355	Q	94.9	Very high	97.4	Very high	58 Å²	58	26 Å²	26	27%	0.271	13%	0.132	S	C	.	.			trans	53.7	21.8	-169.5	-58	-167.1	12.5	0	0	115.3	Y6 A351 K352 Q837 H840 M841	Y6-Q355 WeakPolarHBondContact CE1-O 3.37Å; Y6-Q355 VanDerWaalsContact OH-C 3.29Å; Y6-Q355 WeakPolarHBondContact OH-CA 3.48Å; A351-Q355 PolarHBondContact O-N 3.02Å; A351-Q355 VanDerWaalsContact O-N 3.16Å; K352-Q355 WeakPolarHBondContact O-CG 3.17Å; Q355-Q837 HydrophobicContact CB-CG 4.14Å; Q355-Q837 PolarHBondContact O-NE2 3.47Å; Q355-H840 VanDerWaalsContact CD-CG 3.47Å; Q355-H840 VanDerWaalsContact CG-CD2 3.49Å; Q355-H840 WeakPolarHBondContact CG-CD2 3.42Å; Q355-H840 PolarHBondContact NE2-CD2 2.86Å; Q355-H840 PolarHBondContact NE2-CE1 3.16Å; Q355-H840 PolarHBondContact NE2-NE2 3.06Å; Q355-M841 HydrophobicContact CB-CG 4.24Å; Q355-M841 WeakPolarHBondContact O-CG 3.3Å; Q355-M841 VanDerWaalsContact O-SD 3.36Å
356	V	97.5	Very high	97.3	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.135	C	C	.	.			trans	-79.6	118.6	169.7	-180	0	0	0	0	108.3	Y6 C354 L358 M801 Y802 L810 M841 M864	Y6-V356 PolarHBondContact OH-O 2.88Å; C354-V356 HydrophobicContact CB-CG2 4.19Å; C354-V356 PolarHBondContact O-N 3.33Å; C354-V356 PolarHBondContact SG-N 3.12Å; V356-L358 PolarHBondContact O-N 3.38Å; V356-M801 HydrophobicContact CB-CE 4.22Å; V356-M801 HydrophobicContact CG2-CE 3.69Å; V356-Y802 HydrophobicContact CG2-CD1 4.37Å; V356-Y802 HydrophobicContact CG2-CE1 3.68Å; V356-L810 HydrophobicContact CG1-CD2 4.08Å; V356-M841 HydrophobicContact CB-SD 4.49Å; V356-M841 HydrophobicContact CG2-CG 4.14Å; V356-M841 HydrophobicContact CG2-SD 4.05Å; V356-M864 HydrophobicContact CG1-CE 4.45Å; V356-M864 HydrophobicContact CG2-CE 3.93Å
357	P	97.8	Very high	97.1	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	17%	0.168	C	C	.	.			trans	-66.7	132.4	-178	26.1	-32.4	0	0	0	110	Y6 T340 L810 F813 F814	Y6-P357 HydrophobicContact CD1-CB 3.76Å; Y6-P357 HydrophobicContact CE1-CB 3.67Å; Y6-P357 HydrophobicContact CE1-CG 4.4Å; T340-P357 VanDerWaalsContact CB-O 3.25Å; T340-P357 WeakPolarHBondContact CB-O 3.48Å; T340-P357 PolarHBondContact OG1-O 3.35Å; P357-L810 HydrophobicContact CG-CD2 3.72Å; P357-F813 HydrophobicContact CB-CD1 3.57Å; P357-F813 HydrophobicContact CB-CE1 3.3Å; P357-F813 HydrophobicContact CB-CE2 4.43Å; P357-F813 HydrophobicContact CB-CG 4.25Å; P357-F813 HydrophobicContact CB-CZ 3.78Å; P357-F813 HydrophobicContact CG-CD1 3.47Å; P357-F813 VanDerWaalsContact CG-CD1 3.47Å; P357-F813 HydrophobicContact CG-CE1 3.64Å; P357-F813 HydrophobicContact CG-CG 4.3Å; P357-F814 HydrophobicContact CG-CE2 3.94Å; P357-F814 HydrophobicContact CG-CZ 3.84Å
358	L	98.6	Very high	96.9	Very high	9 Å²	9	33.8 Å²	33.8	5%	0.047	16%	0.163	C	C	.	.			trans	-90.2	105	176	-50.6	-176	0	0	0	107.7	T341 L344 P345 A351 V356 F756	T341-L358 HydrophobicContact CG2-CD2 4.14Å; L344-L358 HydrophobicContact CD2-CD2 4.2Å; P345-L358 HydrophobicContact CG-CD1 3.92Å; P345-L358 HydrophobicContact CG-CD2 4.04Å; A351-L358 HydrophobicContact CB-CD1 4.42Å; V356-L358 PolarHBondContact O-N 3.38Å; L358-F756 HydrophobicContact CB-CB 4.26Å; L358-F756 PolarHBondContact O-N 3.19Å
359	A	98.8	Very high	96.7	Very high	4 Å²	4	34.4 Å²	34.4	3%	0.033	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	159.1	-177.2	0	0	0	0	0	112.3	C339 T340 V754 F813	C339-A359 WeakPolarHBondContact CA-O 3.35Å; T340-A359 HydrophobicContact CG2-CB 3.87Å; T340-A359 PolarHBondContact N-O 3.28Å; T340-A359 PolarHBondContact OG1-N 3.25Å; T340-A359 PolarHBondContact OG1-O 3Å; A359-V754 CarbonylContact C-O 3.53Å; A359-V754 WeakPolarHBondContact CA-O 3.47Å; A359-V754 WeakPolarHBondContact CB-O 3.29Å; A359-F813 HydrophobicContact CB-CB 4.49Å; A359-F813 HydrophobicContact CB-CD2 3.77Å; A359-F813 HydrophobicContact CB-CE2 4.41Å; A359-F813 HydrophobicContact CB-CG 4.28Å
360	S	98.8	Very high	96.4	Very high	1 Å²	1	39.6 Å²	39.6	1%	0.007	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	143.1	171.1	62.6	0	0	0	0	110.9	R338 T753 V754 F756	R338-S360 CarbonylContact O-C 3.53Å; R338-S360 WeakPolarHBondContact O-CA 3.47Å; R338-S360 WeakPolarHBondContact O-CB 3.3Å; S360-T753 CarbonylContact O-C 3.52Å; S360-T753 WeakPolarHBondContact O-CA 3.24Å; S360-V754 PolarHBondContact N-O 3.16Å; S360-V754 PolarHBondContact O-N 3.27Å; S360-F756 WeakPolarHBondContact OG-CE2 3.4Å; S360-F756 WeakPolarHBondContact OG-CZ 3.22Å
361	I	98.8	Very high	96.2	Very high	5 Å²	5	43.7 Å²	43.7	3%	0.026	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	116.4	173.6	-58.4	68.9	0	0	0	106	I337 R338 A751 T753 N812 V903	I337-I361 WeakPolarHBondContact CA-O 3.29Å; R338-I361 PolarHBondContact N-O 2.92Å; R338-I361 PolarHBondContact O-N 3.43Å; I361-A751 HydrophobicContact CG2-CB 4.03Å; I361-T753 HydrophobicContact CD1-CG2 4.16Å; I361-T753 HydrophobicContact CG1-CG2 3.87Å; I361-N812 HydrophobicContact CG1-CB 4.05Å; I361-N812 VanDerWaalsContact CG1-OD1 3.32Å; I361-N812 WeakPolarHBondContact CG1-OD1 3.41Å; I361-V903 HydrophobicContact CB-CG2 3.64Å; I361-V903 HydrophobicContact CD1-CG2 4.31Å; I361-V903 HydrophobicContact CG1-CG2 3.78Å; I361-V903 HydrophobicContact CG2-CG2 3.72Å
362	I	98.9	Very high	96.1	Very high	2 Å²	2	44 Å²	44	1%	0.01	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	119.8	-171.6	-52.9	179.8	0	0	0	108.3	F336 I337 P364 M716 V718 A751 V752 V754 C772	F336-I362 CarbonylContact O-C 3.47Å; F336-I362 WeakPolarHBondContact O-CA 3.47Å; I337-I362 HydrophobicContact CG1-CG1 4.31Å; I337-I362 HydrophobicContact CG1-CG2 4.16Å; I337-I362 HydrophobicContact CG2-CG1 4.45Å; I362-P364 HydrophobicContact CG2-CG 3.91Å; I362-P364 WeakPolarHBondContact O-CD 3.3Å; I362-M716 HydrophobicContact CG2-SD 4.28Å; I362-V718 HydrophobicContact CD1-CG2 3.66Å; I362-A751 CarbonylContact O-C 3.51Å; I362-A751 WeakPolarHBondContact O-CA 3.36Å; I362-A751 WeakPolarHBondContact O-CB 3.42Å; I362-V752 PolarHBondContact N-O 3.49Å; I362-V752 PolarHBondContact O-N 2.74Å; I362-V754 HydrophobicContact CD1-CG2 3.85Å; I362-V754 HydrophobicContact CG1-CG2 4.49Å; I362-C772 HydrophobicContact CD1-CB 4.29Å; I362-C772 HydrophobicContact CG2-CB 4.38Å
363	K	98.3	Very high	96	Very high	13 Å²	13	41.6 Å²	41.6	6%	0.057	20%	0.204	C	C	.	.			trans	-117.2	77.4	176.9	-161	173	-157.6	177.5	0	108.7	F336 F365 A366 C748 D749 K750 A751 E904 D905	F336-K363 PolarHBondContact O-N 3Å; K363-F365 VanDerWaalsContact C-N 3.26Å; K363-F365 PolarHBondContact O-N 2.67Å; K363-F365 VanDerWaalsContact O-N 3.15Å; K363-A366 HydrophobicContact CB-CB 4.11Å; K363-A366 HydrophobicContact CD-CB 4.17Å; K363-A366 HydrophobicContact CG-CB 3.97Å; K363-A366 VanDerWaalsContact O-CB 3.25Å; K363-A366 WeakPolarHBondContact O-CB 3.42Å; K363-A366 PolarHBondContact O-N 3.1Å; K363-C748 WeakPolarHBondContact CE-O 3.46Å; K363-D749 VanDerWaalsContact CE-C 3.41Å; K363-D749 WeakPolarHBondContact CE-O 3.4Å; K363-K750 WeakPolarHBondContact CG-O 3.48Å; K363-A751 HydrophobicContact CB-CB 3.89Å; K363-A751 HydrophobicContact CD-CB 4.46Å; K363-A751 HydrophobicContact CG-CB 4Å; K363-E904 WeakPolarHBondContact CD-OE1 3.38Å; K363-E904 IonicContact NZ-OE1 3.53Å; K363-E904 PolarHBondContact NZ-OE1 3.26Å; K363-D905 IonicContact NZ-OD2 3.58Å; K363-D905 PolarHBondContact NZ-OD2 2.59Å
364	P	97.4	Very high	96	Very high	1 Å²	1	42.1 Å²	42.1	1%	0.006	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-27.4	-162.6	-19.5	30.4	0	0	0	114.7	I362 M716 L774 R786 H788	I362-P364 HydrophobicContact CG2-CG 3.91Å; I362-P364 WeakPolarHBondContact O-CD 3.3Å; P364-M716 HydrophobicContact CG-SD 4.18Å; P364-L774 HydrophobicContact CB-CD2 3.36Å; P364-L774 HydrophobicContact CG-CD2 3.85Å; P364-R786 WeakPolarHBondContact O-CD 3.41Å; P364-R786 PolarHBondContact O-NH1 2.68Å; P364-H788 PolarHBondContact O-NE2 3.38Å
365	F	96.2	Very high	96.1	Very high	7 Å²	7	43.8 Å²	43.8	3%	0.031	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.7	11.6	179	-85.7	-91.8	0	0	0	113.7	K363 K367 V746 D747 C748 L774 Y776	K363-F365 VanDerWaalsContact C-N 3.26Å; K363-F365 PolarHBondContact O-N 2.67Å; K363-F365 VanDerWaalsContact O-N 3.15Å; F365-K367 PolarHBondContact O-N 3.21Å; F365-V746 HydrophobicContact CD2-CG1 3.89Å; F365-V746 HydrophobicContact CD2-CG2 4.13Å; F365-V746 HydrophobicContact CE2-CG1 3.76Å; F365-D747 WeakPolarHBondContact CB-O 3.5Å; F365-C748 HydrophobicContact CB-CB 4.37Å; F365-C748 VanDerWaalsContact O-CA 3.26Å; F365-C748 WeakPolarHBondContact O-CA 3.49Å; F365-C748 WeakPolarHBondContact O-CB 3.3Å; F365-L774 HydrophobicContact CD2-CD2 3.9Å; F365-L774 HydrophobicContact CE2-CD2 3.58Å; F365-L774 HydrophobicContact CE2-CG 4.46Å; F365-Y776 HydrophobicContact CE1-CE2 4.18Å; F365-Y776 HydrophobicContact CE2-CD1 4.42Å; F365-Y776 HydrophobicContact CE2-CG 4.45Å; F365-Y776 HydrophobicContact CZ-CD1 4.03Å; F365-Y776 AromaticContact CZ-CD2 3.83Å; F365-Y776 HydrophobicContact CZ-CD2 3.83Å; F365-Y776 AromaticContact CZ-CE1 3.82Å; F365-Y776 HydrophobicContact CZ-CE1 3.82Å; F365-Y776 AromaticContact CZ-CE2 3.61Å; F365-Y776 HydrophobicContact CZ-CE2 3.61Å; F365-Y776 HydrophobicContact CZ-CG 4.03Å; F365-Y776 AromaticContact CZ-CZ 3.6Å
366	A	96.7	Very high	96.2	Very high	9 Å²	9	46.9 Å²	46.9	7%	0.074	23%	0.233	C	C	.	.			trans	-46	127.4	-178.4	0	0	0	0	0	112.5	R335 F336 K363 L368	R335-A366 HydrophobicContact CB-CB 4.38Å; R335-A366 WeakPolarHBondContact O-CB 3.31Å; F336-A366 HydrophobicContact CD1-CB 3.88Å; F336-A366 HydrophobicContact CE1-CB 4.16Å; F336-A366 WeakPolarHBondContact CE1-O 3.49Å; K363-A366 HydrophobicContact CB-CB 4.11Å; K363-A366 HydrophobicContact CD-CB 4.17Å; K363-A366 HydrophobicContact CG-CB 3.97Å; K363-A366 VanDerWaalsContact O-CB 3.25Å; K363-A366 WeakPolarHBondContact O-CB 3.42Å; K363-A366 PolarHBondContact O-N 3.1Å; A366-L368 PolarHBondContact O-N 3.1Å
367	K	93.6	Very high	96.3	Very high	178 Å²	178	50.2 Å²	50.2	77%	0.774	25%	0.254	S	S	*	.			trans	-70.7	114.4	-175.1	-172.6	174.9	-177.5	175.7	0	110.4	F365 C748	F365-K367 PolarHBondContact O-N 3.21Å; K367-C748 HydrophobicContact CB-CB 4.47Å
368	L	93.5	Very high	96.3	Very high	42 Å²	42	50.8 Å²	50.8	22%	0.22	26%	0.257	C	S	.	.			trans	-71.5	140.6	175	-63.2	-179.1	0	0	0	111	F336 A366 T373	F336-L368 HydrophobicContact CE1-CD2 4.37Å; F336-L368 HydrophobicContact CE2-CD1 4.44Å; F336-L368 HydrophobicContact CE2-CD2 3.94Å; F336-L368 HydrophobicContact CZ-CD1 4Å; F336-L368 HydrophobicContact CZ-CD2 3.66Å; F336-L368 HydrophobicContact CZ-CG 3.9Å; A366-L368 PolarHBondContact O-N 3.1Å; L368-T373 WeakPolarHBondContact CD1-O 3.28Å
369	P	93.3	Very high	96.2	Very high	40 Å²	40	55.4 Å²	55.4	26%	0.26	28%	0.282	S	S	.	.			trans	-56.8	149.2	165.8	-24.4	34.5	0	0	0	112.3	N371 E372	P369-N371 WeakPolarHBondContact CB-OD1 3.46Å; P369-N371 PolarHBondContact O-N 3.39Å; P369-E372 HydrophobicContact CB-CG 4.31Å; P369-E372 WeakPolarHBondContact CD-OE2 3.4Å; P369-E372 HydrophobicContact CG-CG 4.31Å; P369-E372 PolarHBondContact O-N 3.42Å
370	K	91.1	Very high	96.2	Very high	222 Å²	222	55.9 Å²	55.9	97%	0.965	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-14.1	-179	-66.2	-175.2	178.5	-179.5	0	114.6
371	N	93	Very high	96	Very high	107 Å²	107	57.5 Å²	57.5	57%	0.572	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.4	2.1	177.6	64.3	-64.3	0	0	0	113.5	T325 P369	T325-N371 WeakPolarHBondContact CG2-ND2 3.18Å; T325-N371 PolarHBondContact OG1-ND2 3.12Å; T325-N371 VanDerWaalsContact OG1-ND2 3.09Å; P369-N371 WeakPolarHBondContact CB-OD1 3.46Å; P369-N371 PolarHBondContact O-N 3.39Å
372	E	95.6	Very high	95.7	Very high	18 Å²	18	66.7 Å²	66.7	8%	0.084	34%	0.343	C	S	.	.	S	Bend	trans	-99.3	153.7	171.1	-68.6	-175.6	-178.3	0	0	110.7	T325 V326 R335 P369	T325-E372 HydrophobicContact CG2-CG 3.94Å; V326-E372 PolarHBondContact N-OE1 2.92Å; R335-E372 WeakPolarHBondContact CD-OE2 3.36Å; R335-E372 IonicContact CZ-OE1 3.36Å; R335-E372 VanDerWaalsContact CZ-OE1 3.28Å; R335-E372 IonicContact CZ-OE2 2.78Å; R335-E372 VanDerWaalsContact NE-CD 3.31Å; R335-E372 IonicContact NE-OE1 2.82Å; R335-E372 PolarHBondContact NE-OE1 3.46Å; R335-E372 IonicContact NE-OE2 2.69Å; R335-E372 PolarHBondContact NE-OE2 3.08Å; R335-E372 IonicContact NH2-OE1 3.15Å; R335-E372 PolarHBondContact NH2-OE1 3.38Å; R335-E372 IonicContact NH2-OE2 3.54Å; P369-E372 HydrophobicContact CB-CG 4.31Å; P369-E372 WeakPolarHBondContact CD-OE2 3.4Å; P369-E372 HydrophobicContact CG-CG 4.31Å; P369-E372 PolarHBondContact O-N 3.42Å
373	T	93.9	Very high	95.3	Very high	74 Å²	74	71.1 Å²	71.1	45%	0.454	37%	0.37	S	S	.	.	P	Polyproline II helix	trans	-68	127.7	180	-51.6	0	0	0	0	110.4	L368 Y376	L368-T373 WeakPolarHBondContact CD1-O 3.28Å; T373-Y376 HydrophobicContact CG2-CE2 3.69Å
374	P	95	Very high	95.2	Very high	94 Å²	94	70.6 Å²	70.6	61%	0.61	37%	0.368	S	S	*	.	P	Polyproline II helix	trans	-68.1	162.4	175.9	29.8	-35.8	0	0	0	111.8	Y376	P374-Y376 PolarHBondContact O-N 2.75Å
375	L	96.8	Very high	95.2	Very high	36 Å²	36	70.8 Å²	70.8	19%	0.188	37%	0.369	C	S	.	.	P	Polyproline II helix	trans	-68.2	128.9	176.2	-60.1	-177.2	0	0	0	111	F336 S446 E448 R786	F336-L375 HydrophobicContact CE2-CD2 3.89Å; F336-L375 HydrophobicContact CZ-CD1 4.12Å; F336-L375 HydrophobicContact CZ-CD2 3.97Å; F336-L375 HydrophobicContact CZ-CG 4.24Å; L375-S446 VanDerWaalsContact CD2-CB 3.47Å; L375-E448 HydrophobicContact CB-CG 4.45Å; L375-E448 HydrophobicContact CD1-CG 4.37Å; L375-R786 HydrophobicContact CD1-CG 4.19Å
376	Y	97.8	Very high	95.3	Very high	122 Å²	122	71.1 Å²	71.1	48%	0.478	37%	0.371	S	S	.	.	P	Polyproline II helix	trans	-76.9	142.2	172.3	-64.4	-86	0	0	0	111.1	T373 P374 P440 L444 E448	T373-Y376 HydrophobicContact CG2-CE2 3.69Å; P374-Y376 PolarHBondContact O-N 2.75Å; Y376-P440 HydrophobicContact CD2-CB 4.04Å; Y376-P440 HydrophobicContact CG-CB 4.15Å; Y376-P440 HydrophobicContact CG-CG 4.21Å; Y376-L444 HydrophobicContact CD2-CD1 3.56Å; Y376-L444 HydrophobicContact CE2-CD1 3.8Å; Y376-E448 PolarHBondContact O-N 3.01Å
377	V	97.7	Very high	95.4	Very high	71 Å²	71	74.6 Å²	74.6	43%	0.43	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	116.4	174.2	-175.1	0	0	0	0	109.2	E448 V450	V377-E448 HydrophobicContact CG2-CB 4.3Å; V377-V450 HydrophobicContact CG1-CG2 3.85Å
378	V	98.3	Very high	95.6	Very high	11 Å²	11	66.1 Å²	66.1	7%	0.067	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	136.3	-176.6	-176.2	0	0	0	0	110.1	P440 E441 E448 F449 V450	V378-P440 HydrophobicContact CG2-CG 3.63Å; V378-E441 HydrophobicContact CG1-CB 4.45Å; V378-E441 HydrophobicContact CG1-CG 4.28Å; V378-E441 HydrophobicContact CG2-CB 4.35Å; V378-E448 WeakPolarHBondContact CB-O 3.46Å; V378-E448 PolarHBondContact N-O 3.09Å; V378-F449 HydrophobicContact CB-CD1 3.67Å; V378-F449 HydrophobicContact CB-CE1 3.9Å; V378-F449 HydrophobicContact CG1-CD1 3.79Å; V378-F449 HydrophobicContact CG1-CE1 3.64Å; V378-F449 CarbonylContact O-C 3.55Å; V378-F449 VanDerWaalsContact O-CA 3.31Å; V378-F449 WeakPolarHBondContact O-CA 3.22Å; V378-V450 PolarHBondContact O-N 2.85Å
379	N	97.6	Very high	95.8	Very high	106 Å²	106	69.4 Å²	69.4	57%	0.567	36%	0.363	S	S	*	.			trans	-123.7	124	177.1	-167.4	-8.5	0	0	0	110.4	G381 V450	N379-G381 PolarHBondContact OD1-N 3.33Å; N379-V450 HydrophobicContact CB-CB 4.36Å; N379-V450 HydrophobicContact CB-CG2 3.9Å
380	H	97.6	Very high	96.1	Very high	15 Å²	15	75.2 Å²	75.2	7%	0.069	38%	0.38	C	S	.	.			trans	-102.6	6.8	177.1	-77.6	-157.6	0	0	0	112.8	T383 G384 I386 F422 Y423 E441 F449	H380-T383 PolarHBondContact O-OG1 3Å; H380-G384 WeakPolarHBondContact CB-O 3.36Å; H380-I386 WeakPolarHBondContact ND1-CG1 3.29Å; H380-I386 PolarHBondContact ND1-N 3.46Å; H380-F422 HydrophobicContact CB-CE2 4.27Å; H380-F422 HydrophobicContact CB-CZ 4.45Å; H380-Y423 AromaticContact CE1-CD2 3.96Å; H380-Y423 AromaticContact CE1-CE2 3.53Å; H380-Y423 AromaticContact NE2-CE2 3.52Å; H380-E441 IonicContact NE2-OE1 2.72Å; H380-F449 AromaticContact CE1-CE1 3.89Å; H380-F449 AromaticContact NE2-CE1 3.64Å
381	G	95	Very high	96.4	Very high	34 Å²	34	66.7 Å²	66.7	35%	0.351	35%	0.348	S	S	.	.	G	3₁₀ helix	trans	71.3	-157	-177.8	0	0	0	0	0	113.2	N379 T383 G384 T452	N379-G381 PolarHBondContact OD1-N 3.33Å; G381-T383 PolarHBondContact O-N 3.47Å; G381-T383 VanDerWaalsContact O-N 3.11Å; G381-G384 PolarHBondContact O-N 3.43Å; G381-T452 WeakPolarHBondContact O-CG2 3.23Å
382	E	91.9	Very high	96.7	Very high	199 Å²	199	66.6 Å²	66.6	93%	0.93	34%	0.343	S	S	*	.	G	3₁₀ helix	trans	-60.9	-22.9	-169.2	-60.9	179	173.9	0	0	114.7	G384	E382-G384 PolarHBondContact O-N 3.39Å
383	T	91.8	Very high	96.8	Very high	94 Å²	94	65.7 Å²	65.7	58%	0.577	34%	0.339	S	S	*	.	G	3₁₀ helix	trans	-75.8	-10.8	176.1	58.3	0	0	0	0	113.8	H380 G381 F422	H380-T383 PolarHBondContact O-OG1 3Å; G381-T383 PolarHBondContact O-N 3.47Å; G381-T383 VanDerWaalsContact O-N 3.11Å; T383-F422 HydrophobicContact CG2-CE1 3.95Å; T383-F422 VanDerWaalsContact OG1-CE1 3.26Å; T383-F422 WeakPolarHBondContact OG1-CE1 3.21Å; T383-F422 WeakPolarHBondContact OG1-CZ 3.34Å
384	G	95.3	Very high	97	Very high	2 Å²	2	62.8 Å²	62.8	2%	0.021	32%	0.319	C	S	.	.			trans	68.5	-176.8	-173.7	0	0	0	0	0	113.5	H380 G381 E382 T452	H380-G384 WeakPolarHBondContact CB-O 3.36Å; G381-G384 PolarHBondContact O-N 3.43Å; E382-G384 PolarHBondContact O-N 3.39Å; G384-T452 WeakPolarHBondContact CA-OG1 3.45Å
385	P	97.6	Very high	97.2	Very high	5 Å²	5	58.3 Å²	58.3	3%	0.032	29%	0.29	C	S	.	.	S	Bend	trans	-68	137	-177.1	28.1	-35.4	0	0	0	111.7	Y394 F449 Y455 L785	P385-Y394 HydrophobicContact CB-CD1 4.1Å; P385-Y394 HydrophobicContact CB-CE1 4.45Å; P385-Y394 HydrophobicContact CG-CD1 4.1Å; P385-Y394 HydrophobicContact CG-CE1 3.94Å; P385-F449 HydrophobicContact CB-CB 3.98Å; P385-F449 HydrophobicContact CB-CD1 3.72Å; P385-F449 HydrophobicContact CB-CD2 3.61Å; P385-F449 HydrophobicContact CB-CE1 4.01Å; P385-F449 HydrophobicContact CB-CE2 3.89Å; P385-F449 HydrophobicContact CB-CG 3.52Å; P385-F449 HydrophobicContact CB-CZ 4.1Å; P385-F449 HydrophobicContact CG-CB 4.28Å; P385-F449 HydrophobicContact CG-CD2 4.39Å; P385-F449 HydrophobicContact CG-CG 4.31Å; P385-Y455 HydrophobicContact CG-CE2 4.27Å; P385-Y455 WeakPolarHBondContact CG-OH 3.33Å; P385-L785 HydrophobicContact CG-CD1 3.81Å
386	I	98.3	Very high	97.3	Very high	14 Å²	14	56.6 Å²	56.6	7%	0.072	28%	0.281	C	S	.	.			trans	-69.2	134.1	-175.6	-69.9	165.3	0	0	0	109.5	H380 Y394 M395 Y408 P420 F422 Y423	H380-I386 WeakPolarHBondContact ND1-CG1 3.29Å; H380-I386 PolarHBondContact ND1-N 3.46Å; I386-Y394 CarbonylContact O-C 3.6Å; I386-Y394 WeakPolarHBondContact O-CA 3.41Å; I386-M395 HydrophobicContact CB-CB 4.21Å; I386-M395 HydrophobicContact CG2-CB 4.41Å; I386-M395 HydrophobicContact CG2-CE 3.74Å; I386-M395 PolarHBondContact O-N 3.05Å; I386-Y408 HydrophobicContact CG2-CE1 4.27Å; I386-P420 HydrophobicContact CD1-CG 3.92Å; I386-P420 HydrophobicContact CG1-CG 4.14Å; I386-F422 HydrophobicContact CD1-CZ 4.06Å; I386-F422 HydrophobicContact CG1-CZ 4.38Å; I386-Y423 HydrophobicContact CD1-CD1 3.46Å; I386-Y423 VanDerWaalsContact CD1-CD1 3.46Å; I386-Y423 HydrophobicContact CD1-CD2 3.68Å; I386-Y423 HydrophobicContact CD1-CE1 4.03Å; I386-Y423 HydrophobicContact CD1-CE2 4.19Å; I386-Y423 HydrophobicContact CD1-CG 3.29Å
387	R	98.3	Very high	97.3	Very high	83 Å²	83	52.1 Å²	52.1	31%	0.313	27%	0.267	S	S	.	.	B	Isolated β-bridge	trans	-131	146.5	-178.2	-69.2	176	-72.7	-169.2	-5.2	110.6	N389 A393 Y394 Y408 D454 Y455	R387-N389 PolarHBondContact O-N 3.08Å; R387-A393 CarbonylContact C-O 3.44Å; R387-A393 VanDerWaalsContact CA-O 3.24Å; R387-A393 WeakPolarHBondContact CA-O 3.49Å; R387-Y394 HydrophobicContact CG-CD1 3.52Å; R387-Y394 HydrophobicContact CG-CE1 3.74Å; R387-Y394 HydrophobicContact CG-CG 4.19Å; R387-Y408 VanDerWaalsContact C-OH 3.28Å; R387-Y408 PolarHBondContact O-OH 3.06Å; R387-Y408 VanDerWaalsContact O-OH 3.11Å; R387-D454 IonicContact NH2-OD2 2.7Å; R387-Y455 PolarHBondContact NE-OH 3.21Å; R387-Y455 PolarHBondContact NH1-OH 3.2Å; R387-Y455 VanDerWaalsContact NH1-OH 3.09Å; R387-Y455 PolarHBondContact NH2-OH 3.47Å
388	C	98.7	Very high	97.3	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	25%	0.251	C	S	.	.			trans	-61.5	133	167.4	173.7	0	0	0	0	110.2	R390 K392 A393 Y408 C410 N417	C388-R390 PolarHBondContact O-N 2.72Å; C388-K392 VanDerWaalsContact O-CA 3.26Å; C388-K392 WeakPolarHBondContact O-CA 3.48Å; C388-K392 PolarHBondContact O-N 2.76Å; C388-A393 PolarHBondContact N-O 3.22Å; C388-Y408 PolarHBondContact N-OH 3.42Å; C388-C410 HydrophobicContact CB-CB 3.75Å; C388-C410 VanDerWaalsContact CB-SG 3.55Å; C388-C410 VanDerWaalsContact SG-CB 3.52Å; C388-N417 PolarHBondContact SG-OD1 3.29Å
389	N	98.3	Very high	97.3	Very high	110 Å²	110	49.8 Å²	49.8	59%	0.588	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-29.5	-175.5	-75.6	-39.7	0	0	0	113.4	R387 K392 N417	R387-N389 PolarHBondContact O-N 3.08Å; N389-K392 WeakPolarHBondContact O-CE 3.46Å; N389-K392 PolarHBondContact O-NZ 3.49Å; N389-N417 PolarHBondContact N-OD1 3.09Å
390	R	98.4	Very high	97.2	Very high	162 Å²	162	49.5 Å²	49.5	61%	0.611	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.4	-74.6	-178.6	-171.9	-177	-63.7	170.4	-4.4	112.5	C388 K392 C413 C415	C388-R390 PolarHBondContact O-N 2.72Å; R390-K392 VanDerWaalsContact C-N 3.32Å; R390-K392 PolarHBondContact O-N 3.1Å; R390-C413 PolarHBondContact NH1-O 3.12Å; R390-C415 HydrophobicContact CB-CB 3.91Å
391	C	98	Very high	97.3	Very high	44 Å²	44	50 Å²	50	30%	0.297	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.4	-4.8	-173.7	65.6	0	0	0	0	114.9	A393 C413	C391-A393 PolarHBondContact O-N 2.77Å; C391-A393 VanDerWaalsContact O-N 3.12Å; C391-A393 VanDerWaalsContact SG-CB 3.56Å; C391-C413 HydrophobicContact CB-CB 4.03Å
392	K	98.3	Very high	97.4	Very high	104 Å²	104	51 Å²	51	45%	0.452	24%	0.244	S	C	.	.			trans	55.1	24.6	-175.4	-47.2	-53.9	-169.5	-170.1	0	114.3	C388 N389 R390 R719	C388-K392 VanDerWaalsContact O-CA 3.26Å; C388-K392 WeakPolarHBondContact O-CA 3.48Å; C388-K392 PolarHBondContact O-N 2.76Å; N389-K392 WeakPolarHBondContact O-CE 3.46Å; N389-K392 PolarHBondContact O-NZ 3.49Å; R390-K392 VanDerWaalsContact C-N 3.32Å; R390-K392 PolarHBondContact O-N 3.1Å; K392-R719 PolarHBondContact O-NE 3.46Å; K392-R719 PolarHBondContact O-NH2 3Å
393	A	98.7	Very high	97.6	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	22%	0.221	C	C	.	.	P	Polyproline II helix	trans	-66.8	138.3	166.2	0	0	0	0	0	109.6	R387 C388 C391 M399 F412	R387-A393 CarbonylContact C-O 3.44Å; R387-A393 VanDerWaalsContact CA-O 3.24Å; R387-A393 WeakPolarHBondContact CA-O 3.49Å; C388-A393 PolarHBondContact N-O 3.22Å; C391-A393 PolarHBondContact O-N 2.77Å; C391-A393 VanDerWaalsContact O-N 3.12Å; C391-A393 VanDerWaalsContact SG-CB 3.56Å; A393-M399 HydrophobicContact CB-CE 4.25Å; A393-F412 HydrophobicContact CB-CB 4.44Å; A393-F412 HydrophobicContact CB-CD2 3.63Å; A393-F412 HydrophobicContact CB-CE2 4.02Å; A393-F412 HydrophobicContact CB-CG 4.02Å
394	Y	98.8	Very high	97.7	Very high	12 Å²	12	43 Å²	43	5%	0.047	21%	0.214	C	C	.	.	B	Isolated β-bridge	trans	-74.6	153.4	178.3	-61.3	-85.8	0	0	0	111.1	P385 I386 R387 C396 M399 F449 Y455 Q771 A773 L785 I787	P385-Y394 HydrophobicContact CB-CD1 4.1Å; P385-Y394 HydrophobicContact CB-CE1 4.45Å; P385-Y394 HydrophobicContact CG-CD1 4.1Å; P385-Y394 HydrophobicContact CG-CE1 3.94Å; I386-Y394 CarbonylContact O-C 3.6Å; I386-Y394 WeakPolarHBondContact O-CA 3.41Å; R387-Y394 HydrophobicContact CG-CD1 3.52Å; R387-Y394 HydrophobicContact CG-CE1 3.74Å; R387-Y394 HydrophobicContact CG-CG 4.19Å; Y394-C396 PolarHBondContact O-N 3.45Å; Y394-M399 WeakPolarHBondContact O-CE 3.37Å; Y394-F449 HydrophobicContact CD1-CE2 4.42Å; Y394-Y455 HydrophobicContact CE1-CE1 4.46Å; Y394-Q771 PolarHBondContact O-NE2 2.73Å; Y394-A773 HydrophobicContact CD2-CB 3.81Å; Y394-A773 HydrophobicContact CE2-CB 3.45Å; Y394-A773 VanDerWaalsContact CE2-CB 3.45Å; Y394-L785 HydrophobicContact CE1-CD1 3.84Å; Y394-L785 HydrophobicContact CE2-CD2 4.47Å; Y394-L785 WeakPolarHBondContact OH-CD2 3.47Å; Y394-I787 HydrophobicContact CD2-CD1 3.64Å; Y394-I787 HydrophobicContact CE2-CD1 4.02Å; Y394-I787 HydrophobicContact CG-CD1 3.93Å
395	M	98.8	Very high	97.8	Very high	1 Å²	1	42.9 Å²	42.9	1%	0.005	21%	0.213	C	C	.	.	P	Polyproline II helix	trans	-50.4	131.7	169.5	-175.5	58.3	62.9	0	0	110.3	I386 M399 F401 Y408 Y423 E441 L442 Y447	I386-M395 HydrophobicContact CB-CB 4.21Å; I386-M395 HydrophobicContact CG2-CB 4.41Å; I386-M395 HydrophobicContact CG2-CE 3.74Å; I386-M395 PolarHBondContact O-N 3.05Å; M395-M399 HydrophobicContact CE-CG 4.38Å; M395-M399 HydrophobicContact SD-CB 3.78Å; M395-M399 HydrophobicContact SD-CG 3.69Å; M395-F401 HydrophobicContact CE-CZ 4.01Å; M395-F401 HydrophobicContact SD-CE2 4.29Å; M395-F401 HydrophobicContact SD-CZ 3.81Å; M395-Y408 HydrophobicContact CE-CD1 4.11Å; M395-Y408 HydrophobicContact CE-CD2 4.12Å; M395-Y408 HydrophobicContact CE-CE1 3.92Å; M395-Y408 HydrophobicContact CE-CE2 3.94Å; M395-Y408 HydrophobicContact CE-CG 4.2Å; M395-Y423 HydrophobicContact CE-CE1 4.08Å; M395-Y423 HydrophobicContact CG-CE1 4.29Å; M395-Y423 WeakPolarHBondContact CG-OH 3.24Å; M395-Y423 HydrophobicContact SD-CE1 4.38Å; M395-E441 HydrophobicContact CG-CG 4.3Å; M395-L442 HydrophobicContact CG-CD2 3.97Å; M395-L442 HydrophobicContact SD-CD2 3.74Å; M395-Y447 PolarHBondContact O-OH 3.08Å
396	C	98.5	Very high	97.8	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	24%	0.242	C	C	.	.			trans	-160.1	171.7	-174.1	73.2	0	0	0	0	110.6	Y394 Y398 M399 E441 Y447 N789	Y394-C396 PolarHBondContact O-N 3.45Å; C396-Y398 PolarHBondContact O-N 2.61Å; C396-M399 WeakPolarHBondContact O-CG 3.48Å; C396-M399 PolarHBondContact O-N 2.9Å; C396-M399 VanDerWaalsContact O-N 3.14Å; C396-E441 CarbonylContact C-O 3.53Å; C396-E441 WeakPolarHBondContact CA-O 3.42Å; C396-E441 PolarHBondContact N-O 2.68Å; C396-Y447 VanDerWaalsContact CA-OH 3.29Å; C396-Y447 WeakPolarHBondContact CA-OH 3.32Å; C396-Y447 WeakPolarHBondContact CB-OH 3.31Å; C396-N789 WeakPolarHBondContact CB-OD1 3.42Å
397	P	98	Very high	97.8	Very high	28 Å²	28	54.3 Å²	54.3	18%	0.182	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-17.2	179.5	-25.3	33	0	0	0	116	M399 L442 L444	P397-M399 VanDerWaalsContact C-N 3.34Å; P397-L442 VanDerWaalsContact CA-O 3.27Å; P397-L442 WeakPolarHBondContact CA-O 3.25Å; P397-L442 VanDerWaalsContact CB-O 3.29Å; P397-L442 WeakPolarHBondContact CB-O 3.45Å; P397-L442 WeakPolarHBondContact CG-O 3.28Å; P397-L444 WeakPolarHBondContact CD-O 3.35Å; P397-L444 WeakPolarHBondContact CG-O 3.38Å
398	Y	97.3	Very high	97.8	Very high	23 Å²	23	50.6 Å²	50.6	9%	0.09	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.6	1.6	-178	-44.6	-31.2	0	0	0	113.5	G330 N331 C396 S411 F412 F769 N789 L790 S791	G330-Y398 PolarHBondContact O-OH 3.4Å; N331-Y398 PolarHBondContact OD1-OH 2.89Å; C396-Y398 PolarHBondContact O-N 2.61Å; Y398-S411 VanDerWaalsContact O-CB 3.32Å; Y398-S411 WeakPolarHBondContact O-CB 3.46Å; Y398-S411 PolarHBondContact O-OG 3.4Å; Y398-F412 HydrophobicContact CD2-CE2 4.38Å; Y398-F412 AromaticContact CD2-CZ 3.99Å; Y398-F412 HydrophobicContact CD2-CZ 3.99Å; Y398-F769 HydrophobicContact CD1-CD1 4.15Å; Y398-F769 HydrophobicContact CD1-CE1 4.15Å; Y398-F769 HydrophobicContact CD2-CB 4.09Å; Y398-F769 AromaticContact CD2-CD1 3.38Å; Y398-F769 HydrophobicContact CD2-CD1 3.38Å; Y398-F769 HydrophobicContact CD2-CE1 4.16Å; Y398-F769 HydrophobicContact CD2-CG 4.05Å; Y398-F769 HydrophobicContact CE2-CB 4.46Å; Y398-F769 AromaticContact CE2-CD1 3.81Å; Y398-F769 HydrophobicContact CE2-CD1 3.81Å; Y398-F769 AromaticContact CG-CD1 3.6Å; Y398-F769 HydrophobicContact CG-CD1 3.6Å; Y398-F769 AromaticContact CG-CE1 3.9Å; Y398-F769 HydrophobicContact CG-CE1 3.9Å; Y398-F769 HydrophobicContact CG-CG 4.48Å; Y398-N789 HydrophobicContact CD2-CB 4.49Å; Y398-N789 HydrophobicContact CE2-CB 3.68Å; Y398-N789 PolarHBondContact OH-O 2.74Å; Y398-L790 VanDerWaalsContact OH-C 3.27Å; Y398-L790 VanDerWaalsContact OH-CA 3.25Å; Y398-L790 WeakPolarHBondContact OH-CA 3.47Å; Y398-L790 PolarHBondContact OH-N 2.84Å; Y398-S791 PolarHBondContact OH-N 3.17Å
399	M	97.8	Very high	97.8	Very high	9 Å²	9	53.5 Å²	53.5	4%	0.044	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	115.6	178.2	-62.3	-61	177.8	0	0	110.7	A393 Y394 M395 C396 P397 F401 Y408 C410 F412	A393-M399 HydrophobicContact CB-CE 4.25Å; Y394-M399 WeakPolarHBondContact O-CE 3.37Å; M395-M399 HydrophobicContact CE-CG 4.38Å; M395-M399 HydrophobicContact SD-CB 3.78Å; M395-M399 HydrophobicContact SD-CG 3.69Å; C396-M399 WeakPolarHBondContact O-CG 3.48Å; C396-M399 PolarHBondContact O-N 2.9Å; C396-M399 VanDerWaalsContact O-N 3.14Å; P397-M399 VanDerWaalsContact C-N 3.34Å; M399-F401 HydrophobicContact CB-CE2 4.45Å; M399-F401 WeakPolarHBondContact O-CD2 3.43Å; M399-F401 PolarHBondContact O-N 3.31Å; M399-Y408 HydrophobicContact CB-CD2 3.93Å; M399-Y408 HydrophobicContact CG-CD2 4.09Å; M399-Y408 HydrophobicContact CG-CE2 4.25Å; M399-Y408 HydrophobicContact SD-CD2 3.84Å; M399-Y408 HydrophobicContact SD-CE2 3.76Å; M399-C410 HydrophobicContact SD-CB 3.88Å; M399-F412 HydrophobicContact CE-CD2 4.18Å; M399-F412 HydrophobicContact CE-CE2 4.19Å
400	Q	96.9	Very high	97.8	Very high	100 Å²	100	48.2 Å²	48.2	47%	0.467	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	111	-176.7	-62.8	-175.7	4.9	0	0	110.4	Y408 Q409	Q400-Y408 CarbonylContact O-C 3.49Å; Q400-Y408 VanDerWaalsContact O-CA 3.23Å; Q400-Y408 WeakPolarHBondContact O-CA 3.32Å; Q400-Q409 HydrophobicContact CB-CB 4.5Å; Q400-Q409 PolarHBondContact N-O 3.2Å; Q400-Q409 PolarHBondContact O-N 3.02Å
401	F	97.9	Very high	97.7	Very high	27 Å²	27	41.2 Å²	41.2	12%	0.118	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	140.1	178	-68	-95	0	0	0	111.6	M395 M399 R407 V419 Y423 L427 L442	M395-F401 HydrophobicContact CE-CZ 4.01Å; M395-F401 HydrophobicContact SD-CE2 4.29Å; M395-F401 HydrophobicContact SD-CZ 3.81Å; M399-F401 HydrophobicContact CB-CE2 4.45Å; M399-F401 WeakPolarHBondContact O-CD2 3.43Å; M399-F401 PolarHBondContact O-N 3.31Å; F401-R407 WeakPolarHBondContact CA-O 3.26Å; F401-V419 HydrophobicContact CD1-CG2 3.95Å; F401-V419 HydrophobicContact CE1-CG2 3.83Å; F401-Y423 HydrophobicContact CZ-CE1 4.26Å; F401-L427 HydrophobicContact CB-CD2 3.69Å; F401-L442 HydrophobicContact CE2-CD2 3.85Å; F401-L442 HydrophobicContact CZ-CD2 4Å
402	I	97.1	Very high	97.7	Very high	55 Å²	55	39.2 Å²	39.2	28%	0.282	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	176.4	-174.9	59	170.2	0	0	0	110.8	G404 G405 R406 R407 V416	I402-G404 VanDerWaalsContact C-N 3.31Å; I402-G404 PolarHBondContact O-N 3.24Å; I402-G405 WeakPolarHBondContact O-CA 3.25Å; I402-G405 PolarHBondContact O-N 2.85Å; I402-R406 PolarHBondContact O-N 2.78Å; I402-R407 HydrophobicContact CD1-CB 4.34Å; I402-R407 HydrophobicContact CG1-CB 3.91Å; I402-R407 PolarHBondContact N-O 3.07Å; I402-R407 PolarHBondContact O-N 2.83Å; I402-V416 HydrophobicContact CD1-CG1 4.07Å; I402-V416 HydrophobicContact CD1-CG2 4.25Å
403	D	95.9	Very high	97.7	Very high	82 Å²	82	35 Å²	35	44%	0.439	17%	0.171	S	C	.	.	G	3₁₀ helix	trans	53	43.6	177.5	-56.4	-72.4	0	0	0	113.7	G405 R406 R407	D403-G405 PolarHBondContact O-N 3.31Å; D403-R406 HydrophobicContact CB-CB 4.41Å; D403-R406 WeakPolarHBondContact O-CG 3.34Å; D403-R406 PolarHBondContact O-N 3.28Å; D403-R407 VanDerWaalsContact CG-NH2 3.3Å; D403-R407 IonicContact OD1-NH2 2.73Å; D403-R407 PolarHBondContact OD1-NH2 2.85Å; D403-R407 IonicContact OD2-CZ 2.72Å; D403-R407 IonicContact OD2-NE 3.44Å; D403-R407 PolarHBondContact OD2-NE 3.31Å; D403-R407 IonicContact OD2-NH2 3.32Å; D403-R407 PolarHBondContact OD2-NH2 3.38Å
404	G	95.5	Very high	97.6	Very high	41 Å²	41	38.9 Å²	38.9	42%	0.423	19%	0.192	S	C	.	.	G	3₁₀ helix	trans	68.2	18.9	-177.7	0	0	0	0	0	114.5	I402	I402-G404 VanDerWaalsContact C-N 3.31Å; I402-G404 PolarHBondContact O-N 3.24Å
405	G	96.6	Very high	97.6	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	20%	0.195	C	C	.	.	G	3₁₀ helix	trans	100.3	2	178.5	0	0	0	0	0	113.9	I402 D403 V419 F424	I402-G405 WeakPolarHBondContact O-CA 3.25Å; I402-G405 PolarHBondContact O-N 2.85Å; D403-G405 PolarHBondContact O-N 3.31Å; G405-V419 WeakPolarHBondContact O-CG2 3.49Å; G405-F424 WeakPolarHBondContact O-CD2 3.41Å
406	R	97.7	Very high	97.6	Very high	172 Å²	172	41.8 Å²	41.8	65%	0.649	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.2	-25.1	-177.1	-65.6	179.8	178.4	-168.9	-0	113.5	I402 D403 V419 F424	I402-R406 PolarHBondContact O-N 2.78Å; D403-R406 HydrophobicContact CB-CB 4.41Å; D403-R406 WeakPolarHBondContact O-CG 3.34Å; D403-R406 PolarHBondContact O-N 3.28Å; R406-V419 WeakPolarHBondContact O-CB 3.41Å; R406-V419 PolarHBondContact O-N 3.47Å; R406-F424 HydrophobicContact CB-CE2 4.5Å; R406-F424 HydrophobicContact CG-CD2 4.3Å; R406-F424 HydrophobicContact CG-CE2 3.71Å
407	R	98.4	Very high	97.6	Very high	88 Å²	88	42 Å²	42	33%	0.332	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	159.5	-179.3	-58.1	-167.2	-62.9	-164.8	-5.2	110.7	F401 I402 D403 V416 N417 E418	F401-R407 WeakPolarHBondContact CA-O 3.26Å; I402-R407 HydrophobicContact CD1-CB 4.34Å; I402-R407 HydrophobicContact CG1-CB 3.91Å; I402-R407 PolarHBondContact N-O 3.07Å; I402-R407 PolarHBondContact O-N 2.83Å; D403-R407 VanDerWaalsContact CG-NH2 3.3Å; D403-R407 IonicContact OD1-NH2 2.73Å; D403-R407 PolarHBondContact OD1-NH2 2.85Å; D403-R407 IonicContact OD2-CZ 2.72Å; D403-R407 IonicContact OD2-NE 3.44Å; D403-R407 PolarHBondContact OD2-NE 3.31Å; D403-R407 IonicContact OD2-NH2 3.32Å; D403-R407 PolarHBondContact OD2-NH2 3.38Å; R407-V416 HydrophobicContact CB-CG1 3.93Å; R407-N417 CarbonylContact C-O 3.55Å; R407-N417 VanDerWaalsContact CA-O 3.24Å; R407-N417 WeakPolarHBondContact CA-O 3.46Å; R407-N417 WeakPolarHBondContact CB-O 3.08Å; R407-E418 WeakPolarHBondContact CD-OE1 3.08Å; R407-E418 WeakPolarHBondContact CD-OE2 3.27Å; R407-E418 VanDerWaalsContact CG-OE2 3.28Å; R407-E418 WeakPolarHBondContact CG-OE2 3.36Å
408	Y	98.3	Very high	97.6	Very high	4 Å²	4	46.5 Å²	46.5	2%	0.016	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	137.6	171.9	73.4	-82.6	0	0	0	112.1	I386 R387 C388 M395 M399 Q400 V416 N417 V419	I386-Y408 HydrophobicContact CG2-CE1 4.27Å; R387-Y408 VanDerWaalsContact C-OH 3.28Å; R387-Y408 PolarHBondContact O-OH 3.06Å; R387-Y408 VanDerWaalsContact O-OH 3.11Å; C388-Y408 PolarHBondContact N-OH 3.42Å; M395-Y408 HydrophobicContact CE-CD1 4.11Å; M395-Y408 HydrophobicContact CE-CD2 4.12Å; M395-Y408 HydrophobicContact CE-CE1 3.92Å; M395-Y408 HydrophobicContact CE-CE2 3.94Å; M395-Y408 HydrophobicContact CE-CG 4.2Å; M399-Y408 HydrophobicContact CB-CD2 3.93Å; M399-Y408 HydrophobicContact CG-CD2 4.09Å; M399-Y408 HydrophobicContact CG-CE2 4.25Å; M399-Y408 HydrophobicContact SD-CD2 3.84Å; M399-Y408 HydrophobicContact SD-CE2 3.76Å; Q400-Y408 CarbonylContact O-C 3.49Å; Q400-Y408 VanDerWaalsContact O-CA 3.23Å; Q400-Y408 WeakPolarHBondContact O-CA 3.32Å; Y408-V416 CarbonylContact O-C 3.56Å; Y408-V416 WeakPolarHBondContact O-CA 3.33Å; Y408-N417 HydrophobicContact CD1-CB 4.08Å; Y408-N417 HydrophobicContact CE1-CB 3.59Å; Y408-N417 HydrophobicContact CE2-CB 4.26Å; Y408-N417 WeakPolarHBondContact CE2-ND2 3.45Å; Y408-N417 PolarHBondContact N-O 3.2Å; Y408-N417 PolarHBondContact O-N 3.43Å; Y408-N417 PolarHBondContact O-ND2 2.95Å; Y408-N417 VanDerWaalsContact O-ND2 3.08Å; Y408-V419 HydrophobicContact CD1-CG2 3.82Å
409	Q	98.4	Very high	97.7	Very high	61 Å²	61	46.1 Å²	46.1	29%	0.285	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	131	171.1	-166.8	170.5	25.8	0	0	110.2	Q400 N414 V416	Q400-Q409 HydrophobicContact CB-CB 4.5Å; Q400-Q409 PolarHBondContact N-O 3.2Å; Q400-Q409 PolarHBondContact O-N 3.02Å; Q409-N414 PolarHBondContact NE2-O 3.31Å; Q409-V416 HydrophobicContact CB-CG2 4.25Å; Q409-V416 HydrophobicContact CG-CG2 4.19Å
410	C	98.6	Very high	97.6	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	104.9	-178.2	171.3	0	0	0	0	111.3	C388 M399 F412 C413 N414 C415	C388-C410 HydrophobicContact CB-CB 3.75Å; C388-C410 VanDerWaalsContact CB-SG 3.55Å; C388-C410 VanDerWaalsContact SG-CB 3.52Å; M399-C410 HydrophobicContact SD-CB 3.88Å; C410-F412 PolarHBondContact O-N 3.17Å; C410-C413 PolarHBondContact O-N 2.88Å; C410-N414 WeakPolarHBondContact O-CA 3.44Å; C410-N414 PolarHBondContact O-N 3.41Å; C410-C415 PolarHBondContact N-O 2.98Å
411	S	96.9	Very high	97.6	Very high	14 Å²	14	49.7 Å²	49.7	10%	0.098	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-13	-177.9	-55.9	0	0	0	0	115.4	Y398	Y398-S411 VanDerWaalsContact O-CB 3.32Å; Y398-S411 WeakPolarHBondContact O-CB 3.46Å; Y398-S411 PolarHBondContact O-OG 3.4Å
412	F	98.1	Very high	97.6	Very high	3 Å²	3	53.3 Å²	53.3	1%	0.013	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-26.3	170.9	-61.5	-88.6	0	0	0	114.3	A393 Y398 M399 C410 S721 T722 F769 Q771	A393-F412 HydrophobicContact CB-CB 4.44Å; A393-F412 HydrophobicContact CB-CD2 3.63Å; A393-F412 HydrophobicContact CB-CE2 4.02Å; A393-F412 HydrophobicContact CB-CG 4.02Å; Y398-F412 HydrophobicContact CD2-CE2 4.38Å; Y398-F412 AromaticContact CD2-CZ 3.99Å; Y398-F412 HydrophobicContact CD2-CZ 3.99Å; M399-F412 HydrophobicContact CE-CD2 4.18Å; M399-F412 HydrophobicContact CE-CE2 4.19Å; C410-F412 PolarHBondContact O-N 3.17Å; F412-S721 CarbonylContact O-C 3.27Å; F412-S721 VanDerWaalsContact O-CA 3.32Å; F412-S721 WeakPolarHBondContact O-CA 3.44Å; F412-T722 PolarHBondContact O-N 3.1Å; F412-T722 PolarHBondContact O-OG1 3.26Å; F412-F769 HydrophobicContact CD1-CB 3.99Å; F412-F769 HydrophobicContact CE1-CB 3.65Å; F412-F769 HydrophobicContact CZ-CB 4.11Å; F412-Q771 HydrophobicContact CE1-CB 3.86Å; F412-Q771 HydrophobicContact CZ-CB 3.7Å
413	C	97.5	Very high	97.6	Very high	16 Å²	16	50.8 Å²	50.8	11%	0.108	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-152.4	12.6	-172.8	70.4	0	0	0	0	115.1	R390 C391 C410 C415	R390-C413 PolarHBondContact NH1-O 3.12Å; C391-C413 HydrophobicContact CB-CB 4.03Å; C410-C413 PolarHBondContact O-N 2.88Å; C413-C415 PolarHBondContact O-N 2.84Å
414	N	96.9	Very high	97.7	Very high	80 Å²	80	50.2 Å²	50.2	43%	0.428	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.7	13.4	-179.2	-58.3	-22.2	0	0	0	115.9	Q409 C410	Q409-N414 PolarHBondContact NE2-O 3.31Å; C410-N414 WeakPolarHBondContact O-CA 3.44Å; C410-N414 PolarHBondContact O-N 3.41Å
415	C	98.3	Very high	97.8	Very high	17 Å²	17	51.1 Å²	51.1	12%	0.115	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	126.7	175.7	-165.9	0	0	0	0	110.5	R390 C410 C413 N417	R390-C415 HydrophobicContact CB-CB 3.91Å; C410-C415 PolarHBondContact N-O 2.98Å; C413-C415 PolarHBondContact O-N 2.84Å; C415-N417 PolarHBondContact O-ND2 3.2Å
416	V	98.7	Very high	97.8	Very high	58 Å²	58	56.4 Å²	56.4	35%	0.352	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	146.3	166.4	-178.5	0	0	0	0	109.4	I402 R407 Y408 Q409	I402-V416 HydrophobicContact CD1-CG1 4.07Å; I402-V416 HydrophobicContact CD1-CG2 4.25Å; R407-V416 HydrophobicContact CB-CG1 3.93Å; Y408-V416 CarbonylContact O-C 3.56Å; Y408-V416 WeakPolarHBondContact O-CA 3.33Å; Q409-V416 HydrophobicContact CB-CG2 4.25Å; Q409-V416 HydrophobicContact CG-CG2 4.19Å
417	N	98.6	Very high	97.8	Very high	4 Å²	4	50.1 Å²	50.1	2%	0.021	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	145.6	-179.4	-39.6	-100.6	0	0	0	108.2	C388 N389 R407 Y408 C415	C388-N417 PolarHBondContact SG-OD1 3.29Å; N389-N417 PolarHBondContact N-OD1 3.09Å; R407-N417 CarbonylContact C-O 3.55Å; R407-N417 VanDerWaalsContact CA-O 3.24Å; R407-N417 WeakPolarHBondContact CA-O 3.46Å; R407-N417 WeakPolarHBondContact CB-O 3.08Å; Y408-N417 HydrophobicContact CD1-CB 4.08Å; Y408-N417 HydrophobicContact CE1-CB 3.59Å; Y408-N417 HydrophobicContact CE2-CB 4.26Å; Y408-N417 WeakPolarHBondContact CE2-ND2 3.45Å; Y408-N417 PolarHBondContact N-O 3.2Å; Y408-N417 PolarHBondContact O-N 3.43Å; Y408-N417 PolarHBondContact O-ND2 2.95Å; Y408-N417 VanDerWaalsContact O-ND2 3.08Å; C415-N417 PolarHBondContact O-ND2 3.2Å
418	E	98.4	Very high	97.5	Very high	123 Å²	123	48.5 Å²	48.5	58%	0.575	25%	0.252	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69	145.9	170.7	-54.6	-56	130.9	0	0	110.8	R407	R407-E418 WeakPolarHBondContact CD-OE1 3.08Å; R407-E418 WeakPolarHBondContact CD-OE2 3.27Å; R407-E418 VanDerWaalsContact CG-OE2 3.28Å; R407-E418 WeakPolarHBondContact CG-OE2 3.36Å
419	V	98.4	Very high	97.1	Very high	15 Å²	15	56.7 Å²	56.7	9%	0.091	29%	0.29	C	S	.	.	P	Polyproline II helix	trans	-85.5	125.5	172.4	174.9	0	0	0	0	109.1	F401 G405 R406 Y408 Y423 F424	F401-V419 HydrophobicContact CD1-CG2 3.95Å; F401-V419 HydrophobicContact CE1-CG2 3.83Å; G405-V419 WeakPolarHBondContact O-CG2 3.49Å; R406-V419 WeakPolarHBondContact O-CB 3.41Å; R406-V419 PolarHBondContact O-N 3.47Å; Y408-V419 HydrophobicContact CD1-CG2 3.82Å; V419-Y423 HydrophobicContact CG1-CD1 4.1Å; V419-F424 HydrophobicContact CG1-CB 4.33Å
420	P	97.4	Very high	96.7	Very high	45 Å²	45	61 Å²	61	29%	0.292	31%	0.312	S	S	.	.	P	Polyproline II helix	trans	-58.7	142.6	176.7	-25.6	35.2	0	0	0	112.3	I386 F422 Y423 F424	I386-P420 HydrophobicContact CD1-CG 3.92Å; I386-P420 HydrophobicContact CG1-CG 4.14Å; P420-F422 VanDerWaalsContact C-N 3.31Å; P420-F422 HydrophobicContact CB-CD1 3.72Å; P420-F422 HydrophobicContact CB-CE1 3.41Å; P420-F422 VanDerWaalsContact CB-CE1 3.41Å; P420-F422 HydrophobicContact CB-CZ 4.21Å; P420-F422 HydrophobicContact CG-CE1 4.18Å; P420-F422 PolarHBondContact O-N 2.93Å; P420-Y423 CarbonylContact O-C 3.56Å; P420-Y423 WeakPolarHBondContact O-CA 3.34Å; P420-Y423 PolarHBondContact O-N 3.47Å; P420-F424 PolarHBondContact O-N 3.02Å
421	V	96.8	Very high	96.1	Very high	139 Å²	139	63 Å²	63	84%	0.842	33%	0.333	S	S	*	.	G	3₁₀ helix	trans	-56.8	-41	-172.7	-177.2	0	0	0	0	112.9	Y423 F424	V421-Y423 PolarHBondContact O-N 3.25Å; V421-F424 PolarHBondContact O-N 3.28Å
422	F	96.7	Very high	95.8	Very high	103 Å²	103	67.5 Å²	67.5	45%	0.452	35%	0.347	S	S	.	.	G	3₁₀ helix	trans	-66.9	-18.3	177.1	77.1	-91.5	0	0	0	113.9	H380 T383 I386 P420	H380-F422 HydrophobicContact CB-CE2 4.27Å; H380-F422 HydrophobicContact CB-CZ 4.45Å; T383-F422 HydrophobicContact CG2-CE1 3.95Å; T383-F422 VanDerWaalsContact OG1-CE1 3.26Å; T383-F422 WeakPolarHBondContact OG1-CE1 3.21Å; T383-F422 WeakPolarHBondContact OG1-CZ 3.34Å; I386-F422 HydrophobicContact CD1-CZ 4.06Å; I386-F422 HydrophobicContact CG1-CZ 4.38Å; P420-F422 VanDerWaalsContact C-N 3.31Å; P420-F422 HydrophobicContact CB-CD1 3.72Å; P420-F422 HydrophobicContact CB-CE1 3.41Å; P420-F422 VanDerWaalsContact CB-CE1 3.41Å; P420-F422 HydrophobicContact CB-CZ 4.21Å; P420-F422 HydrophobicContact CG-CE1 4.18Å; P420-F422 PolarHBondContact O-N 2.93Å
423	Y	97.8	Very high	95.6	Very high	2 Å²	2	67.6 Å²	67.6	1%	0.008	35%	0.348	C	S	.	.	G	3₁₀ helix	trans	-109.7	1.5	-179.3	-164.4	-101.4	0	0	0	111.8	H380 I386 M395 F401 V419 P420 V421 R433 E441 L442	H380-Y423 AromaticContact CE1-CD2 3.96Å; H380-Y423 AromaticContact CE1-CE2 3.53Å; H380-Y423 AromaticContact NE2-CE2 3.52Å; I386-Y423 HydrophobicContact CD1-CD1 3.46Å; I386-Y423 VanDerWaalsContact CD1-CD1 3.46Å; I386-Y423 HydrophobicContact CD1-CD2 3.68Å; I386-Y423 HydrophobicContact CD1-CE1 4.03Å; I386-Y423 HydrophobicContact CD1-CE2 4.19Å; I386-Y423 HydrophobicContact CD1-CG 3.29Å; M395-Y423 HydrophobicContact CE-CE1 4.08Å; M395-Y423 HydrophobicContact CG-CE1 4.29Å; M395-Y423 WeakPolarHBondContact CG-OH 3.24Å; M395-Y423 HydrophobicContact SD-CE1 4.38Å; F401-Y423 HydrophobicContact CZ-CE1 4.26Å; V419-Y423 HydrophobicContact CG1-CD1 4.1Å; P420-Y423 CarbonylContact O-C 3.56Å; P420-Y423 WeakPolarHBondContact O-CA 3.34Å; P420-Y423 PolarHBondContact O-N 3.47Å; V421-Y423 PolarHBondContact O-N 3.25Å; Y423-R433 VanDerWaalsContact CD1-NH1 3.27Å; Y423-R433 VanDerWaalsContact O-CZ 3.26Å; Y423-R433 PolarHBondContact O-NH1 3.13Å; Y423-R433 PolarHBondContact O-NH2 2.93Å; Y423-E441 WeakPolarHBondContact CE2-OE1 3.47Å; Y423-E441 WeakPolarHBondContact OH-CG 3.44Å; Y423-E441 PolarHBondContact OH-OE1 2.86Å; Y423-L442 WeakPolarHBondContact OH-CD2 3.43Å
424	F	97.6	Very high	95.6	Very high	69 Å²	69	70.8 Å²	70.8	30%	0.303	37%	0.366	S	S	.	.			trans	-67.2	135.5	178.8	171.7	-98.8	0	0	0	110.8	G405 R406 V419 P420 V421 H426	G405-F424 WeakPolarHBondContact O-CD2 3.41Å; R406-F424 HydrophobicContact CB-CE2 4.5Å; R406-F424 HydrophobicContact CG-CD2 4.3Å; R406-F424 HydrophobicContact CG-CE2 3.71Å; V419-F424 HydrophobicContact CG1-CB 4.33Å; P420-F424 PolarHBondContact O-N 3.02Å; V421-F424 PolarHBondContact O-N 3.28Å; F424-H426 AromaticContact CE1-CD2 3.99Å; F424-H426 AromaticContact CE1-CE1 3.85Å; F424-H426 AromaticContact CE1-NE2 3.68Å; F424-H426 AromaticContact CZ-CE1 3.74Å; F424-H426 AromaticContact CZ-ND1 3.81Å
425	Q	97.8	Very high	95.5	Very high	60 Å²	60	67.2 Å²	67.2	28%	0.28	35%	0.348	S	S	.	.			trans	-151.4	149	170.8	-175.6	56.3	-85.8	0	0	109.4	R433 V434 D435	Q425-R433 HydrophobicContact CB-CG 4.14Å; Q425-R433 HydrophobicContact CG-CG 4.38Å; Q425-V434 VanDerWaalsContact CD-CG2 3.45Å; Q425-V434 HydrophobicContact CG-CG2 3.43Å; Q425-V434 VanDerWaalsContact CG-CG2 3.43Å; Q425-D435 HydrophobicContact CG-CB 4.27Å
426	H	97.3	Very high	95.4	Very high	112 Å²	112	68.6 Å²	68.6	52%	0.519	35%	0.352	S	S	.	.			trans	-69.2	156.1	-178.5	-69.3	-79.9	0	0	0	113.3	F424 V434	F424-H426 AromaticContact CE1-CD2 3.99Å; F424-H426 AromaticContact CE1-CE1 3.85Å; F424-H426 AromaticContact CE1-NE2 3.68Å; F424-H426 AromaticContact CZ-CE1 3.74Å; F424-H426 AromaticContact CZ-ND1 3.81Å; H426-V434 PolarHBondContact O-N 3.39Å; H426-V434 VanDerWaalsContact O-N 3.13Å
427	L	96.9	Very high	95.2	Very high	40 Å²	40	74.3 Å²	74.3	21%	0.209	37%	0.368	C	S	.	.	B	Isolated β-bridge	trans	-88.5	147.7	164.7	-53.5	179.9	0	0	0	110.7	F401 R432 R433	F401-L427 HydrophobicContact CB-CD2 3.69Å; L427-R432 CarbonylContact C-O 3.58Å; L427-R432 VanDerWaalsContact CA-O 3.28Å; L427-R432 WeakPolarHBondContact CA-O 3.5Å; L427-R433 HydrophobicContact CD2-CB 4.19Å; L427-R433 HydrophobicContact CD2-CG 4.13Å
428	D	92.8	Very high	95.1	Very high	54 Å²	54	81.6 Å²	81.6	29%	0.289	40%	0.402	S	S	.	.			trans	-78.9	-177.1	169.3	70.7	14	0	0	0	112.3	M430 G431 R432 V434	D428-M430 PolarHBondContact O-N 2.9Å; D428-M430 VanDerWaalsContact OD1-C 3.31Å; D428-M430 VanDerWaalsContact OD1-CA 3.28Å; D428-M430 WeakPolarHBondContact OD1-CA 3.46Å; D428-M430 WeakPolarHBondContact OD1-CB 3.21Å; D428-M430 PolarHBondContact OD1-N 3.46Å; D428-G431 PolarHBondContact O-N 3.2Å; D428-G431 VanDerWaalsContact O-N 3.09Å; D428-G431 PolarHBondContact OD1-N 3.29Å; D428-R432 VanDerWaalsContact CG-O 3.27Å; D428-R432 PolarHBondContact N-O 3.44Å; D428-R432 PolarHBondContact OD1-N 2.99Å; D428-V434 HydrophobicContact CB-CG1 4.12Å
429	H	89.2	Confident	95	Very high	176 Å²	176	78.9 Å²	78.9	82%	0.815	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68	-9	178.1	68.3	-78.7	0	0	0	114.5
430	M	89.2	Confident	95	Very high	151 Å²	151	79.3 Å²	79.3	74%	0.744	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.8	2.2	173.5	-58.9	-171.2	70.4	0	0	112.3	D428 R432	D428-M430 PolarHBondContact O-N 2.9Å; D428-M430 VanDerWaalsContact OD1-C 3.31Å; D428-M430 VanDerWaalsContact OD1-CA 3.28Å; D428-M430 WeakPolarHBondContact OD1-CA 3.46Å; D428-M430 WeakPolarHBondContact OD1-CB 3.21Å; D428-M430 PolarHBondContact OD1-N 3.46Å; M430-R432 VanDerWaalsContact C-N 3.32Å
431	G	86.3	Confident	95	Very high	42 Å²	42	77.3 Å²	77.3	43%	0.433	38%	0.376	S	S	.	.	S	Bend	trans	78.4	10.2	-176.6	0	0	0	0	0	114.4	D428	D428-G431 PolarHBondContact O-N 3.2Å; D428-G431 VanDerWaalsContact O-N 3.09Å; D428-G431 PolarHBondContact OD1-N 3.29Å
432	R	91.3	Very high	95.1	Very high	108 Å²	108	70.8 Å²	70.8	41%	0.408	34%	0.336	S	S	.	.			trans	-92.1	146	176.2	-175.2	178.5	-65.4	-170.1	0.7	110.3	L427 D428 M430 F436 Y437	L427-R432 CarbonylContact C-O 3.58Å; L427-R432 VanDerWaalsContact CA-O 3.28Å; L427-R432 WeakPolarHBondContact CA-O 3.5Å; D428-R432 VanDerWaalsContact CG-O 3.27Å; D428-R432 PolarHBondContact N-O 3.44Å; D428-R432 PolarHBondContact OD1-N 2.99Å; M430-R432 VanDerWaalsContact C-N 3.32Å; R432-F436 HydrophobicContact CG-CB 3.96Å; R432-F436 HydrophobicContact CG-CD2 4.21Å; R432-F436 HydrophobicContact CG-CG 4.05Å; R432-Y437 PolarHBondContact NH1-OH 3.3Å
433	R	94.7	Very high	95.1	Very high	6 Å²	6	66.7 Å²	66.7	2%	0.023	32%	0.321	C	S	.	.	B	Isolated β-bridge	trans	-68.2	133.2	175.8	-137.2	173.4	102.5	134.3	13.8	110.7	Y423 Q425 L427 D435 F436	Y423-R433 VanDerWaalsContact CD1-NH1 3.27Å; Y423-R433 VanDerWaalsContact O-CZ 3.26Å; Y423-R433 PolarHBondContact O-NH1 3.13Å; Y423-R433 PolarHBondContact O-NH2 2.93Å; Q425-R433 HydrophobicContact CB-CG 4.14Å; Q425-R433 HydrophobicContact CG-CG 4.38Å; L427-R433 HydrophobicContact CD2-CB 4.19Å; L427-R433 HydrophobicContact CD2-CG 4.13Å; R433-D435 VanDerWaalsContact C-N 3.25Å; R433-D435 WeakPolarHBondContact CG-OD1 3.4Å; R433-D435 IonicContact CZ-OD1 3.92Å; R433-D435 IonicContact CZ-OD2 3.28Å; R433-D435 IonicContact NE-OD1 2.83Å; R433-D435 PolarHBondContact NE-OD1 3.12Å; R433-D435 IonicContact NE-OD2 2.69Å; R433-D435 IonicContact NH2-OD1 2.73Å; R433-D435 PolarHBondContact NH2-OD1 2.98Å; R433-D435 IonicContact NH2-OD2 3.61Å; R433-D435 PolarHBondContact NH2-OD2 3.36Å; R433-D435 PolarHBondContact O-N 2.64Å; R433-F436 WeakPolarHBondContact O-CB 3.31Å; R433-F436 PolarHBondContact O-N 3.5Å
434	V	96	Very high	95.2	Very high	82 Å²	82	68 Å²	68	50%	0.497	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-26.7	-172.1	-65.2	0	0	0	0	114	Q425 H426 D428	Q425-V434 VanDerWaalsContact CD-CG2 3.45Å; Q425-V434 HydrophobicContact CG-CG2 3.43Å; Q425-V434 VanDerWaalsContact CG-CG2 3.43Å; H426-V434 PolarHBondContact O-N 3.39Å; H426-V434 VanDerWaalsContact O-N 3.13Å; D428-V434 HydrophobicContact CB-CG1 4.12Å
435	D	96.1	Very high	95.2	Very high	6 Å²	6	64.7 Å²	64.7	3%	0.032	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.4	13.5	176.8	63.4	-15.4	0	0	0	113.6	Q425 R433 Y437 E438 R439	Q425-D435 HydrophobicContact CG-CB 4.27Å; R433-D435 VanDerWaalsContact C-N 3.25Å; R433-D435 WeakPolarHBondContact CG-OD1 3.4Å; R433-D435 IonicContact CZ-OD1 3.92Å; R433-D435 IonicContact CZ-OD2 3.28Å; R433-D435 IonicContact NE-OD1 2.83Å; R433-D435 PolarHBondContact NE-OD1 3.12Å; R433-D435 IonicContact NE-OD2 2.69Å; R433-D435 IonicContact NH2-OD1 2.73Å; R433-D435 PolarHBondContact NH2-OD1 2.98Å; R433-D435 IonicContact NH2-OD2 3.61Å; R433-D435 PolarHBondContact NH2-OD2 3.36Å; R433-D435 PolarHBondContact O-N 2.64Å; D435-Y437 VanDerWaalsContact C-N 3.3Å; D435-Y437 PolarHBondContact O-N 3.03Å; D435-E438 HydrophobicContact CB-CB 4.33Å; D435-E438 WeakPolarHBondContact CB-OE2 3.3Å; D435-E438 PolarHBondContact O-N 3.41Å; D435-R439 PolarHBondContact O-N 2.91Å; D435-R439 VanDerWaalsContact O-N 3.09Å; D435-R439 VanDerWaalsContact OD2-CD 3.28Å; D435-R439 WeakPolarHBondContact OD2-CD 3.39Å; D435-R439 IonicContact OD2-CZ 3.66Å; D435-R439 IonicContact OD2-NE 3.62Å; D435-R439 PolarHBondContact OD2-NE 2.91Å
436	F	95.1	Very high	95.3	Very high	46 Å²	46	62 Å²	62	20%	0.202	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.2	-42.9	-177.2	175.7	-86.9	0	0	0	113.4	R432 R433 L442 S443	R432-F436 HydrophobicContact CG-CB 3.96Å; R432-F436 HydrophobicContact CG-CD2 4.21Å; R432-F436 HydrophobicContact CG-CG 4.05Å; R433-F436 WeakPolarHBondContact O-CB 3.31Å; R433-F436 PolarHBondContact O-N 3.5Å; F436-L442 HydrophobicContact CD2-CB 4.18Å; F436-L442 WeakPolarHBondContact CE2-O 3.25Å; F436-L442 WeakPolarHBondContact CZ-O 3.37Å; F436-S443 WeakPolarHBondContact O-CB 3.41Å; F436-S443 PolarHBondContact O-OG 2.93Å
437	Y	94.4	Very high	95.3	Very high	177 Å²	177	56.7 Å²	56.7	69%	0.694	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.7	-10	179.4	-69.6	-67.9	0	0	0	113.9	R432 D435	R432-Y437 PolarHBondContact NH1-OH 3.3Å; D435-Y437 VanDerWaalsContact C-N 3.3Å; D435-Y437 PolarHBondContact O-N 3.03Å
438	E	96.4	Very high	95.4	Very high	157 Å²	157	55 Å²	55	73%	0.734	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.5	-25.2	174.1	-55.8	-179.4	162.9	0	0	111.2	D435	D435-E438 HydrophobicContact CB-CB 4.33Å; D435-E438 WeakPolarHBondContact CB-OE2 3.3Å; D435-E438 PolarHBondContact O-N 3.41Å
439	R	97.5	Very high	95.7	Very high	67 Å²	67	52.4 Å²	52.4	25%	0.253	25%	0.254	S	S	.	.			trans	-103.1	110	-176.7	-74.8	-175.9	175.5	-72.4	-8.6	111.9	D435 E441 L442 S443	D435-R439 PolarHBondContact O-N 2.91Å; D435-R439 VanDerWaalsContact O-N 3.09Å; D435-R439 VanDerWaalsContact OD2-CD 3.28Å; D435-R439 WeakPolarHBondContact OD2-CD 3.39Å; D435-R439 IonicContact OD2-CZ 3.66Å; D435-R439 IonicContact OD2-NE 3.62Å; D435-R439 PolarHBondContact OD2-NE 2.91Å; R439-E441 WeakPolarHBondContact CB-OE2 3.39Å; R439-E441 VanDerWaalsContact CD-OE1 3.24Å; R439-E441 WeakPolarHBondContact CD-OE1 3.36Å; R439-E441 WeakPolarHBondContact CG-OE1 3.21Å; R439-E441 IonicContact CZ-OE1 3.46Å; R439-E441 IonicContact NE-OE1 3.97Å; R439-E441 IonicContact NH1-OE1 3.39Å; R439-E441 PolarHBondContact NH1-OE1 3.43Å; R439-E441 PolarHBondContact O-N 3.04Å; R439-L442 HydrophobicContact CB-CB 3.97Å; R439-L442 HydrophobicContact CB-CD1 3.93Å; R439-L442 HydrophobicContact CB-CG 3.81Å; R439-L442 HydrophobicContact CG-CD1 4.38Å; R439-L442 PolarHBondContact O-N 3.45Å; R439-S443 PolarHBondContact O-N 3.42Å; R439-S443 VanDerWaalsContact O-N 3.12Å; R439-S443 PolarHBondContact O-OG 3.17Å
440	P	98	Very high	96.1	Very high	23 Å²	23	46.6 Å²	46.6	15%	0.149	23%	0.23	C	C	.	.	H	α-helix	trans	-64.6	-28.3	177.8	27.3	-34.5	0	0	0	112.2	Y376 V378 L442 S443 L444	Y376-P440 HydrophobicContact CD2-CB 4.04Å; Y376-P440 HydrophobicContact CG-CB 4.15Å; Y376-P440 HydrophobicContact CG-CG 4.21Å; V378-P440 HydrophobicContact CG2-CG 3.63Å; P440-L442 PolarHBondContact O-N 3.43Å; P440-S443 PolarHBondContact O-N 2.9Å; P440-L444 HydrophobicContact CB-CD1 3.66Å; P440-L444 HydrophobicContact CB-CG 4.08Å; P440-L444 WeakPolarHBondContact O-CB 3.4Å; P440-L444 PolarHBondContact O-N 3.44Å
441	E	98.3	Very high	96.5	Very high	3 Å²	3	40 Å²	40	1%	0.014	20%	0.2	C	C	.	.	H	α-helix	trans	-69.7	-8.2	173	76.6	-76.3	-172.3	0	0	114.1	V378 H380 M395 C396 Y423 R439 Y447 F449	V378-E441 HydrophobicContact CG1-CB 4.45Å; V378-E441 HydrophobicContact CG1-CG 4.28Å; V378-E441 HydrophobicContact CG2-CB 4.35Å; H380-E441 IonicContact NE2-OE1 2.72Å; M395-E441 HydrophobicContact CG-CG 4.3Å; C396-E441 CarbonylContact C-O 3.53Å; C396-E441 WeakPolarHBondContact CA-O 3.42Å; C396-E441 PolarHBondContact N-O 2.68Å; Y423-E441 WeakPolarHBondContact CE2-OE1 3.47Å; Y423-E441 WeakPolarHBondContact OH-CG 3.44Å; Y423-E441 PolarHBondContact OH-OE1 2.86Å; R439-E441 WeakPolarHBondContact CB-OE2 3.39Å; R439-E441 VanDerWaalsContact CD-OE1 3.24Å; R439-E441 WeakPolarHBondContact CD-OE1 3.36Å; R439-E441 WeakPolarHBondContact CG-OE1 3.21Å; R439-E441 IonicContact CZ-OE1 3.46Å; R439-E441 IonicContact NE-OE1 3.97Å; R439-E441 IonicContact NH1-OE1 3.39Å; R439-E441 PolarHBondContact NH1-OE1 3.43Å; R439-E441 PolarHBondContact O-N 3.04Å; E441-Y447 HydrophobicContact CB-CD2 4.14Å; E441-Y447 HydrophobicContact CB-CE2 3.85Å; E441-F449 HydrophobicContact CB-CE1 4.15Å; E441-F449 HydrophobicContact CB-CZ 3.96Å; E441-F449 HydrophobicContact CG-CE1 4.39Å; E441-F449 HydrophobicContact CG-CZ 4.44Å
442	L	98.3	Very high	97	Very high	2 Å²	2	39.2 Å²	39.2	1%	0.01	19%	0.187	C	C	.	.	H	α-helix	trans	-109.1	-23.3	173.5	-62.9	-173.7	0	0	0	113.4	M395 P397 F401 Y423 F436 R439 P440	M395-L442 HydrophobicContact CG-CD2 3.97Å; M395-L442 HydrophobicContact SD-CD2 3.74Å; P397-L442 VanDerWaalsContact CA-O 3.27Å; P397-L442 WeakPolarHBondContact CA-O 3.25Å; P397-L442 VanDerWaalsContact CB-O 3.29Å; P397-L442 WeakPolarHBondContact CB-O 3.45Å; P397-L442 WeakPolarHBondContact CG-O 3.28Å; F401-L442 HydrophobicContact CE2-CD2 3.85Å; F401-L442 HydrophobicContact CZ-CD2 4Å; Y423-L442 WeakPolarHBondContact OH-CD2 3.43Å; F436-L442 HydrophobicContact CD2-CB 4.18Å; F436-L442 WeakPolarHBondContact CE2-O 3.25Å; F436-L442 WeakPolarHBondContact CZ-O 3.37Å; R439-L442 HydrophobicContact CB-CB 3.97Å; R439-L442 HydrophobicContact CB-CD1 3.93Å; R439-L442 HydrophobicContact CB-CG 3.81Å; R439-L442 HydrophobicContact CG-CD1 4.38Å; R439-L442 PolarHBondContact O-N 3.45Å; P440-L442 PolarHBondContact O-N 3.43Å
443	S	97.3	Very high	97.2	Very high	17 Å²	17	38.5 Å²	38.5	12%	0.119	19%	0.19	C	C	.	.	H	α-helix	trans	-116	-18.9	-172.5	46.5	0	0	0	0	115.7	Q329 G330 F436 R439 P440	Q329-S443 CarbonylContact C-O 3.52Å; G330-S443 WeakPolarHBondContact CA-O 3.42Å; G330-S443 PolarHBondContact N-O 2.86Å; F436-S443 WeakPolarHBondContact O-CB 3.41Å; F436-S443 PolarHBondContact O-OG 2.93Å; R439-S443 PolarHBondContact O-N 3.42Å; R439-S443 VanDerWaalsContact O-N 3.12Å; R439-S443 PolarHBondContact O-OG 3.17Å; P440-S443 PolarHBondContact O-N 2.9Å
444	L	98.6	Very high	97.3	Very high	30 Å²	30	42.6 Å²	42.6	16%	0.157	21%	0.213	C	C	.	.			trans	-111.1	149.4	-177.2	-53	-177.3	0	0	0	112	D328 Y376 P397 P440 Y447	D328-L444 HydrophobicContact CB-CD2 4.33Å; D328-L444 WeakPolarHBondContact O-CD2 3.4Å; Y376-L444 HydrophobicContact CD2-CD1 3.56Å; Y376-L444 HydrophobicContact CE2-CD1 3.8Å; P397-L444 WeakPolarHBondContact CD-O 3.35Å; P397-L444 WeakPolarHBondContact CG-O 3.38Å; P440-L444 HydrophobicContact CB-CD1 3.66Å; P440-L444 HydrophobicContact CB-CG 4.08Å; P440-L444 WeakPolarHBondContact O-CB 3.4Å; P440-L444 PolarHBondContact O-N 3.44Å; L444-Y447 HydrophobicContact CB-CD1 4.49Å; L444-Y447 VanDerWaalsContact O-CE1 3.26Å; L444-Y447 WeakPolarHBondContact O-CE1 3.46Å
445	G	98.4	Very high	97.3	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	19%	0.193	C	C	.	.	S	Bend	trans	-73.7	-33.5	172.6	0	0	0	0	0	112.8	D328 H788 N789	D328-G445 VanDerWaalsContact CG-N 3.3Å; D328-G445 PolarHBondContact OD1-N 3.43Å; D328-G445 PolarHBondContact OD2-N 2.9Å; D328-G445 VanDerWaalsContact OD2-N 3.17Å; G445-H788 WeakPolarHBondContact O-CA 3.31Å; G445-N789 PolarHBondContact O-N 2.87Å; G445-N789 PolarHBondContact O-ND2 2.73Å
446	S	98.8	Very high	97.2	Very high	3 Å²	3	40.1 Å²	40.1	2%	0.021	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	129.6	-177.2	-46.7	0	0	0	0	113.5	D328 A332 F336 L375 I787 H788	D328-S446 PolarHBondContact OD2-N 3.09Å; D328-S446 PolarHBondContact OD2-OG 2.82Å; A332-S446 WeakPolarHBondContact CA-OG 3.28Å; A332-S446 WeakPolarHBondContact CB-OG 3.29Å; F336-S446 WeakPolarHBondContact CD2-OG 3.45Å; L375-S446 VanDerWaalsContact CD2-CB 3.47Å; S446-I787 WeakPolarHBondContact CA-O 3.4Å; S446-H788 WeakPolarHBondContact CB-ND1 3.38Å; S446-H788 PolarHBondContact OG-ND1 2.79Å; S446-H788 VanDerWaalsContact OG-ND1 3.16Å
447	Y	98.8	Very high	97	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.4	170.5	178.7	47.2	-86.7	0	0	0	110.3	M395 C396 E441 L444 F449 I787 N789	M395-Y447 PolarHBondContact O-OH 3.08Å; C396-Y447 VanDerWaalsContact CA-OH 3.29Å; C396-Y447 WeakPolarHBondContact CA-OH 3.32Å; C396-Y447 WeakPolarHBondContact CB-OH 3.31Å; E441-Y447 HydrophobicContact CB-CD2 4.14Å; E441-Y447 HydrophobicContact CB-CE2 3.85Å; L444-Y447 HydrophobicContact CB-CD1 4.49Å; L444-Y447 VanDerWaalsContact O-CE1 3.26Å; L444-Y447 WeakPolarHBondContact O-CE1 3.46Å; Y447-F449 HydrophobicContact CD2-CE2 4.26Å; Y447-F449 HydrophobicContact CD2-CZ 4.41Å; Y447-F449 HydrophobicContact CE2-CD2 4.24Å; Y447-F449 AromaticContact CE2-CE2 3.6Å; Y447-F449 HydrophobicContact CE2-CE2 3.6Å; Y447-F449 AromaticContact CE2-CZ 3.8Å; Y447-F449 HydrophobicContact CE2-CZ 3.8Å; Y447-I787 HydrophobicContact CD2-CB 4.25Å; Y447-I787 HydrophobicContact CD2-CG1 4.35Å; Y447-I787 HydrophobicContact CE2-CB 3.84Å; Y447-I787 HydrophobicContact CE2-CG1 3.91Å; Y447-I787 HydrophobicContact CE2-CG2 4.2Å; Y447-I787 PolarHBondContact N-O 2.9Å; Y447-I787 PolarHBondContact O-N 2.89Å; Y447-N789 VanDerWaalsContact CE1-ND2 3.31Å; Y447-N789 WeakPolarHBondContact CE1-ND2 3.47Å; Y447-N789 PolarHBondContact OH-ND2 2.69Å
448	E	98.6	Very high	96.9	Very high	4 Å²	4	41.3 Å²	41.3	2%	0.019	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	151.2	170.3	-53.6	-159.7	138.5	0	0	111.3	L375 Y376 V377 V378 Y776 R784 L785 R786	L375-E448 HydrophobicContact CB-CG 4.45Å; L375-E448 HydrophobicContact CD1-CG 4.37Å; Y376-E448 PolarHBondContact O-N 3.01Å; V377-E448 HydrophobicContact CG2-CB 4.3Å; V378-E448 WeakPolarHBondContact CB-O 3.46Å; V378-E448 PolarHBondContact N-O 3.09Å; E448-Y776 VanDerWaalsContact CD-OH 3.3Å; E448-Y776 PolarHBondContact OE1-OH 3.15Å; E448-Y776 PolarHBondContact OE2-OH 2.76Å; E448-R784 WeakPolarHBondContact OE2-CD 3.41Å; E448-R784 IonicContact OE2-CZ 3.38Å; E448-R784 IonicContact OE2-NE 3.14Å; E448-R784 IonicContact OE2-NH1 2.67Å; E448-R784 PolarHBondContact OE2-NH1 3.07Å; E448-L785 CarbonylContact C-O 3.54Å; E448-L785 VanDerWaalsContact CA-O 3.28Å; E448-L785 WeakPolarHBondContact CA-O 3.26Å; E448-R786 HydrophobicContact CG-CB 4.31Å; E448-R786 HydrophobicContact CG-CG 4.35Å; E448-R786 IonicContact OE1-CZ 3.3Å; E448-R786 VanDerWaalsContact OE1-CZ 3.24Å; E448-R786 IonicContact OE1-NE 3.46Å; E448-R786 PolarHBondContact OE1-NE 3.31Å; E448-R786 IonicContact OE1-NH2 2.72Å; E448-R786 PolarHBondContact OE1-NH2 3.44Å
449	F	98.7	Very high	96.8	Very high	1 Å²	1	39.1 Å²	39.1	0%	0.004	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	144.5	161.8	-71.9	-69.8	0	0	0	110.7	V378 H380 P385 Y394 E441 Y447 A451 R784 L785 I787	V378-F449 HydrophobicContact CB-CD1 3.67Å; V378-F449 HydrophobicContact CB-CE1 3.9Å; V378-F449 HydrophobicContact CG1-CD1 3.79Å; V378-F449 HydrophobicContact CG1-CE1 3.64Å; V378-F449 CarbonylContact O-C 3.55Å; V378-F449 VanDerWaalsContact O-CA 3.31Å; V378-F449 WeakPolarHBondContact O-CA 3.22Å; H380-F449 AromaticContact CE1-CE1 3.89Å; H380-F449 AromaticContact NE2-CE1 3.64Å; P385-F449 HydrophobicContact CB-CB 3.98Å; P385-F449 HydrophobicContact CB-CD1 3.72Å; P385-F449 HydrophobicContact CB-CD2 3.61Å; P385-F449 HydrophobicContact CB-CE1 4.01Å; P385-F449 HydrophobicContact CB-CE2 3.89Å; P385-F449 HydrophobicContact CB-CG 3.52Å; P385-F449 HydrophobicContact CB-CZ 4.1Å; P385-F449 HydrophobicContact CG-CB 4.28Å; P385-F449 HydrophobicContact CG-CD2 4.39Å; P385-F449 HydrophobicContact CG-CG 4.31Å; Y394-F449 HydrophobicContact CD1-CE2 4.42Å; E441-F449 HydrophobicContact CB-CE1 4.15Å; E441-F449 HydrophobicContact CB-CZ 3.96Å; E441-F449 HydrophobicContact CG-CE1 4.39Å; E441-F449 HydrophobicContact CG-CZ 4.44Å; Y447-F449 HydrophobicContact CD2-CE2 4.26Å; Y447-F449 HydrophobicContact CD2-CZ 4.41Å; Y447-F449 HydrophobicContact CE2-CD2 4.24Å; Y447-F449 AromaticContact CE2-CE2 3.6Å; Y447-F449 HydrophobicContact CE2-CE2 3.6Å; Y447-F449 AromaticContact CE2-CZ 3.8Å; Y447-F449 HydrophobicContact CE2-CZ 3.8Å; F449-A451 PolarHBondContact O-N 3.34Å; F449-R784 WeakPolarHBondContact O-CA 3.37Å; F449-L785 HydrophobicContact CB-CB 4.07Å; F449-L785 PolarHBondContact N-O 3.3Å; F449-L785 PolarHBondContact O-N 2.97Å; F449-I787 HydrophobicContact CD2-CD1 4.31Å; F449-I787 HydrophobicContact CD2-CG1 3.8Å; F449-I787 HydrophobicContact CE2-CG1 4.01Å
450	V	97.9	Very high	96.6	Very high	54 Å²	54	41 Å²	41	33%	0.327	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.3	128.1	157	-178.5	0	0	0	0	108.2	V377 V378 N379	V377-V450 HydrophobicContact CG1-CG2 3.85Å; V378-V450 PolarHBondContact O-N 2.85Å; N379-V450 HydrophobicContact CB-CB 4.36Å; N379-V450 HydrophobicContact CB-CG2 3.9Å
451	A	97.3	Very high	96.5	Very high	12 Å²	12	44.4 Å²	44.4	10%	0.099	24%	0.237	C	C	.	.	P	Polyproline II helix	trans	-95.6	136.3	178.3	0	0	0	0	0	110.9	F449 Y455 L775 R783 L785	F449-A451 PolarHBondContact O-N 3.34Å; A451-Y455 HydrophobicContact CB-CD2 4.18Å; A451-Y455 HydrophobicContact CB-CG 4.1Å; A451-L775 HydrophobicContact CB-CD1 4.15Å; A451-R783 HydrophobicContact CB-CB 4.13Å; A451-R783 HydrophobicContact CB-CG 4Å; A451-R783 WeakPolarHBondContact CB-O 3.44Å; A451-R783 PolarHBondContact N-O 3.41Å; A451-R783 VanDerWaalsContact N-O 3.12Å; A451-L785 HydrophobicContact CB-CD1 4.14Å; A451-L785 HydrophobicContact CB-CG 4.31Å
452	T	96.8	Very high	96.4	Very high	26 Å²	26	46 Å²	46	16%	0.16	25%	0.248	C	C	.	.	P	Polyproline II helix	trans	-78.8	171	177.9	34.7	0	0	0	0	112.4	G381 G384 D454 Y455	G381-T452 WeakPolarHBondContact O-CG2 3.23Å; G384-T452 WeakPolarHBondContact CA-OG1 3.45Å; T452-D454 WeakPolarHBondContact CB-OD1 3.35Å; T452-D454 PolarHBondContact O-N 2.87Å; T452-D454 VanDerWaalsContact O-N 3.14Å; T452-D454 PolarHBondContact OG1-OD1 3.12Å; T452-Y455 WeakPolarHBondContact O-CB 3.45Å; T452-Y455 PolarHBondContact O-N 2.9Å; T452-Y455 WeakPolarHBondContact OG1-CD2 3.29Å; T452-Y455 WeakPolarHBondContact OG1-CE2 3.48Å
453	L	95.9	Very high	96.3	Very high	92 Å²	92	49.2 Å²	49.2	48%	0.482	27%	0.265	S	S	.	.	G	3₁₀ helix	trans	-59.8	-25.9	-174.9	-66.9	177.2	0	0	0	113.8	Y455 C456 N459 P461	L453-Y455 PolarHBondContact O-N 3.01Å; L453-C456 WeakPolarHBondContact O-CB 3.16Å; L453-C456 PolarHBondContact O-N 2.93Å; L453-N459 WeakPolarHBondContact O-CA 3.1Å; L453-N459 PolarHBondContact O-OD1 3.12Å; L453-P461 HydrophobicContact CD2-CG 3.95Å
454	D	95.6	Very high	96.3	Very high	93 Å²	93	50.5 Å²	50.5	50%	0.497	27%	0.273	S	S	.	.	G	3₁₀ helix	trans	-65.4	-13	174	67.3	-52.7	0	0	0	114.1	R387 T452	R387-D454 IonicContact NH2-OD2 2.7Å; T452-D454 WeakPolarHBondContact CB-OD1 3.35Å; T452-D454 PolarHBondContact O-N 2.87Å; T452-D454 VanDerWaalsContact O-N 3.14Å; T452-D454 PolarHBondContact OG1-OD1 3.12Å
455	Y	96.1	Very high	96.2	Very high	23 Å²	23	49.1 Å²	49.1	9%	0.09	27%	0.266	C	S	.	.	G	3₁₀ helix	trans	-98.5	3.8	172.5	-62.4	-93.2	0	0	0	113.5	P385 R387 Y394 A451 T452 L453 L775 R783 L785	P385-Y455 HydrophobicContact CG-CE2 4.27Å; P385-Y455 WeakPolarHBondContact CG-OH 3.33Å; R387-Y455 PolarHBondContact NE-OH 3.21Å; R387-Y455 PolarHBondContact NH1-OH 3.2Å; R387-Y455 VanDerWaalsContact NH1-OH 3.09Å; R387-Y455 PolarHBondContact NH2-OH 3.47Å; Y394-Y455 HydrophobicContact CE1-CE1 4.46Å; A451-Y455 HydrophobicContact CB-CD2 4.18Å; A451-Y455 HydrophobicContact CB-CG 4.1Å; T452-Y455 WeakPolarHBondContact O-CB 3.45Å; T452-Y455 PolarHBondContact O-N 2.9Å; T452-Y455 WeakPolarHBondContact OG1-CD2 3.29Å; T452-Y455 WeakPolarHBondContact OG1-CE2 3.48Å; L453-Y455 PolarHBondContact O-N 3.01Å; Y455-L775 HydrophobicContact CD1-CD1 4.11Å; Y455-L775 HydrophobicContact CD1-CD2 4.29Å; Y455-L775 HydrophobicContact CG-CD1 4.31Å; Y455-R783 PolarHBondContact O-NE 2.84Å; Y455-L785 HydrophobicContact CD1-CD1 3.92Å; Y455-L785 HydrophobicContact CE1-CD1 3.61Å; Y455-L785 HydrophobicContact CE2-CD1 4.43Å; Y455-L785 HydrophobicContact CG-CD1 4.44Å
456	C	95.5	Very high	96.2	Very high	13 Å²	13	49.1 Å²	49.1	9%	0.088	27%	0.266	C	S	.	.	S	Bend	trans	-109.2	144.2	-176.8	-53.3	0	0	0	0	110.9	L453 N458 N459 K460 R783	L453-C456 WeakPolarHBondContact O-CB 3.16Å; L453-C456 PolarHBondContact O-N 2.93Å; C456-N458 PolarHBondContact O-N 3.23Å; C456-N459 PolarHBondContact O-N 3.15Å; C456-N459 VanDerWaalsContact O-N 3.13Å; C456-K460 WeakPolarHBondContact CB-O 3.49Å; C456-R783 VanDerWaalsContact SG-CB 3.51Å
457	K	90.6	Very high	96.2	Very high	102 Å²	102	49 Å²	49	44%	0.443	27%	0.265	S	S	.	.	G	3₁₀ helix	trans	-56.9	132.8	177	-70	-177.6	-179.5	170.7	0	109.7	N459 K460 A652 D713	K457-N459 PolarHBondContact O-N 3.4Å; K457-N459 VanDerWaalsContact O-N 3.12Å; K457-K460 PolarHBondContact O-N 3.43Å; K457-A652 PolarHBondContact NZ-O 3.11Å; K457-D713 VanDerWaalsContact CE-CG 3.49Å; K457-D713 WeakPolarHBondContact CE-OD1 3.46Å; K457-D713 WeakPolarHBondContact CE-OD2 3.01Å; K457-D713 VanDerWaalsContact NZ-CG 3.31Å; K457-D713 IonicContact NZ-OD1 2.66Å; K457-D713 PolarHBondContact NZ-OD1 2.77Å; K457-D713 IonicContact NZ-OD2 3.12Å; K457-D713 PolarHBondContact NZ-OD2 3.48Å
458	N	91.6	Very high	96.2	Very high	145 Å²	145	49 Å²	49	78%	0.775	27%	0.265	S	S	*	.	G	3₁₀ helix	trans	56	22.4	-179	-53.9	-35.3	0	0	0	115.4	C456 K460	C456-N458 PolarHBondContact O-N 3.23Å; N458-K460 PolarHBondContact O-N 2.82Å
459	N	93.4	Very high	96.3	Very high	112 Å²	112	48.9 Å²	48.9	60%	0.599	26%	0.264	S	S	*	.	G	3₁₀ helix	trans	56.2	22.8	-174.7	-57.2	-37	0	0	0	114.8	L453 C456 K457	L453-N459 WeakPolarHBondContact O-CA 3.1Å; L453-N459 PolarHBondContact O-OD1 3.12Å; C456-N459 PolarHBondContact O-N 3.15Å; C456-N459 VanDerWaalsContact O-N 3.13Å; K457-N459 PolarHBondContact O-N 3.4Å; K457-N459 VanDerWaalsContact O-N 3.12Å
460	K	94.6	Very high	96.3	Very high	105 Å²	105	48.9 Å²	48.9	46%	0.457	27%	0.265	S	S	.	.	S	Bend	trans	-104.8	148.8	174.7	-65.7	-178.7	-179.4	178.4	0	110.6	C456 K457 N458 E597	C456-K460 WeakPolarHBondContact CB-O 3.49Å; K457-K460 PolarHBondContact O-N 3.43Å; N458-K460 PolarHBondContact O-N 2.82Å; K460-E597 IonicContact NZ-OE1 3.82Å; K460-E597 IonicContact NZ-OE2 2.7Å; K460-E597 PolarHBondContact NZ-OE2 3.33Å
461	P	94.6	Very high	96.3	Very high	96 Å²	96	46.5 Å²	46.5	62%	0.623	25%	0.25	S	C	*	.	P	Polyproline II helix	trans	-54.6	137	163.8	-21.3	32.6	0	0	0	110.8	L453	L453-P461 HydrophobicContact CD2-CG 3.95Å
462	P	96.3	Very high	96.4	Very high	35 Å²	35	46 Å²	46	23%	0.227	25%	0.245	C	C	.	.	P	Polyproline II helix	trans	-76.3	145.2	178.7	30.8	-32.5	0	0	0	111.4	T777 G781 R783	P462-T777 HydrophobicContact CB-CG2 3.97Å; P462-T777 HydrophobicContact CG-CG2 3.68Å; P462-G781 WeakPolarHBondContact CG-O 3.33Å; P462-R783 HydrophobicContact CG-CB 4.46Å
463	N	96.9	Very high	96.5	Very high	71 Å²	71	44.7 Å²	44.7	38%	0.38	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	150.6	172	-70.4	-59.7	0	0	0	111.2	E597 C598	N463-E597 PolarHBondContact ND2-O 2.92Å; N463-C598 HydrophobicContact CB-CB 3.95Å
464	P	96.9	Very high	96.6	Very high	44 Å²	44	40.3 Å²	40.3	29%	0.286	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.7	146.2	168.6	-22.5	32.2	0	0	0	111.6	A507	P464-A507 HydrophobicContact CB-CB 3.93Å; P464-A507 HydrophobicContact CG-CB 4.11Å
465	P	97.9	Very high	96.7	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	163.8	-178.1	30.1	-34.8	0	0	0	112.5	I508 K509 S599 F712	P465-I508 HydrophobicContact CG-CG1 4.38Å; P465-I508 WeakPolarHBondContact O-CA 3.16Å; P465-K509 PolarHBondContact O-N 3.1Å; P465-S599 WeakPolarHBondContact CA-O 3.26Å; P465-F712 HydrophobicContact CB-CD1 4.34Å; P465-F712 HydrophobicContact CB-CD2 3.75Å; P465-F712 HydrophobicContact CB-CE1 4.46Å; P465-F712 HydrophobicContact CB-CE2 3.87Å; P465-F712 HydrophobicContact CB-CG 4Å; P465-F712 HydrophobicContact CB-CZ 4.24Å; P465-F712 HydrophobicContact CG-CD2 3.65Å; P465-F712 HydrophobicContact CG-CE2 3.75Å; P465-F712 HydrophobicContact CG-CG 4.35Å
466	A	98.4	Very high	96.7	Very high	1 Å²	1	41.7 Å²	41.7	1%	0.008	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	149.6	175.6	0	0	0	0	0	112.5	K509 L551 F593 S599 G600 K601	A466-K509 CarbonylContact C-O 3.55Å; A466-K509 VanDerWaalsContact CA-O 3.25Å; A466-K509 WeakPolarHBondContact CA-O 3.39Å; A466-K509 HydrophobicContact CB-CB 3.99Å; A466-L551 HydrophobicContact CB-CD1 3.88Å; A466-L551 HydrophobicContact CB-CD2 4.23Å; A466-F593 HydrophobicContact CB-CD1 4.23Å; A466-F593 HydrophobicContact CB-CE1 3.84Å; A466-F593 VanDerWaalsContact O-CE1 3.27Å; A466-F593 WeakPolarHBondContact O-CE1 3.34Å; A466-F593 WeakPolarHBondContact O-CZ 3.13Å; A466-S599 PolarHBondContact N-O 3.46Å; A466-S599 VanDerWaalsContact N-O 3.08Å; A466-G600 CarbonylContact O-C 3.07Å; A466-G600 WeakPolarHBondContact O-CA 3.48Å; A466-K601 PolarHBondContact O-N 3.21Å
467	Y	98.8	Very high	96.8	Very high	1 Å²	1	41.1 Å²	41.1	0%	0.004	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	129.6	175.7	-69.9	2.7	0	0	0	109.7	F469 L497 I508 K509 V510 G511 K601 F603 L706 F712	Y467-F469 HydrophobicContact CD2-CZ 4.47Å; Y467-L497 HydrophobicContact CD2-CD2 3.62Å; Y467-L497 HydrophobicContact CE2-CD2 3.89Å; Y467-I508 HydrophobicContact CD1-CG2 3.73Å; Y467-I508 HydrophobicContact CD2-CG2 4.17Å; Y467-I508 HydrophobicContact CE1-CD1 3.95Å; Y467-I508 HydrophobicContact CE1-CG2 4.04Å; Y467-I508 HydrophobicContact CE2-CD1 4.29Å; Y467-I508 HydrophobicContact CE2-CG2 4.48Å; Y467-I508 HydrophobicContact CG-CG2 3.79Å; Y467-K509 PolarHBondContact N-O 2.8Å; Y467-V510 CarbonylContact O-C 3.51Å; Y467-V510 VanDerWaalsContact O-CA 3.31Å; Y467-V510 WeakPolarHBondContact O-CA 3.29Å; Y467-G511 PolarHBondContact O-N 2.86Å; Y467-K601 WeakPolarHBondContact CA-O 3.39Å; Y467-K601 HydrophobicContact CD1-CB 3.88Å; Y467-K601 HydrophobicContact CE1-CB 4.05Å; Y467-F603 HydrophobicContact CD1-CE2 4.21Å; Y467-F603 AromaticContact CD2-CE2 3.52Å; Y467-F603 HydrophobicContact CD2-CE2 3.52Å; Y467-F603 AromaticContact CD2-CZ 3.92Å; Y467-F603 HydrophobicContact CD2-CZ 3.92Å; Y467-F603 AromaticContact CE2-CE2 3.99Å; Y467-F603 HydrophobicContact CE2-CE2 3.99Å; Y467-F603 AromaticContact CE2-CZ 3.99Å; Y467-F603 HydrophobicContact CE2-CZ 3.99Å; Y467-F603 HydrophobicContact CG-CD2 4.46Å; Y467-F603 AromaticContact CG-CE2 3.64Å; Y467-F603 HydrophobicContact CG-CE2 3.64Å; Y467-F603 HydrophobicContact CG-CZ 4.46Å; Y467-L706 HydrophobicContact CD2-CD1 4.42Å; Y467-L706 HydrophobicContact CE2-CG 4.22Å; Y467-F712 HydrophobicContact CE1-CE2 4.38Å; Y467-F712 AromaticContact CE1-CZ 3.9Å; Y467-F712 HydrophobicContact CE1-CZ 3.9Å
468	I	98.9	Very high	97.2	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	122.4	175.9	-54.2	170.2	0	0	0	109.5	M470 G511 V513 F550 L551 A592 F593 K601 L602 F603	I468-M470 HydrophobicContact CB-CE 4.46Å; I468-M470 HydrophobicContact CG2-CE 3.86Å; I468-M470 HydrophobicContact CG2-CG 3.95Å; I468-G511 WeakPolarHBondContact CA-O 3.43Å; I468-V513 HydrophobicContact CG2-CG2 4.15Å; I468-F550 HydrophobicContact CD1-CE1 3.85Å; I468-F550 HydrophobicContact CD1-CZ 4.15Å; I468-F550 HydrophobicContact CG1-CE1 4.33Å; I468-F550 HydrophobicContact CG1-CZ 4.36Å; I468-F550 HydrophobicContact CG2-CZ 3.81Å; I468-L551 HydrophobicContact CD1-CD2 4.18Å; I468-L551 HydrophobicContact CG1-CD2 3.84Å; I468-A592 HydrophobicContact CD1-CB 3.81Å; I468-F593 HydrophobicContact CD1-CD1 4.06Å; I468-F593 HydrophobicContact CD1-CE1 3.45Å; I468-F593 VanDerWaalsContact CD1-CE1 3.45Å; I468-F593 HydrophobicContact CD1-CE2 4.31Å; I468-F593 HydrophobicContact CD1-CZ 3.6Å; I468-F593 HydrophobicContact CG1-CE1 3.67Å; I468-F593 HydrophobicContact CG1-CZ 3.78Å; I468-K601 PolarHBondContact N-O 3Å; I468-L602 HydrophobicContact CB-CD2 3.89Å; I468-L602 HydrophobicContact CD1-CD2 3.97Å; I468-L602 HydrophobicContact CG1-CD2 4.31Å; I468-F603 PolarHBondContact O-N 2.94Å
469	F	98.9	Very high	97.4	Very high	1 Å²	1	37.9 Å²	37.9	0%	0.004	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	121.8	176.5	-58.6	-84.5	0	0	0	109.3	Y467 L490 L494 V510 G511 F512 V513 F603 F605 L706	Y467-F469 HydrophobicContact CD2-CZ 4.47Å; F469-L490 HydrophobicContact CB-CD1 4.34Å; F469-L490 HydrophobicContact CD1-CD1 4.19Å; F469-L490 HydrophobicContact CD1-CD2 3.71Å; F469-L490 HydrophobicContact CE1-CD2 3.62Å; F469-L490 HydrophobicContact CG-CD1 4.23Å; F469-L490 HydrophobicContact CG-CD2 4.28Å; F469-L490 HydrophobicContact CZ-CD2 4.12Å; F469-L494 HydrophobicContact CE2-CD2 3.62Å; F469-L494 HydrophobicContact CZ-CD2 3.67Å; F469-V510 HydrophobicContact CE2-CB 4.47Å; F469-V510 HydrophobicContact CE2-CG1 4.21Å; F469-G511 PolarHBondContact N-O 2.93Å; F469-F512 HydrophobicContact CB-CD1 4.09Å; F469-F512 HydrophobicContact CB-CE1 4.4Å; F469-F512 HydrophobicContact CD2-CD1 4.21Å; F469-F512 AromaticContact CD2-CE1 3.81Å; F469-F512 HydrophobicContact CD2-CE1 3.81Å; F469-F512 HydrophobicContact CD2-CZ 4.38Å; F469-F512 HydrophobicContact CG-CE1 4.36Å; F469-V513 PolarHBondContact O-N 3.21Å; F469-F603 HydrophobicContact CD1-CB 3.63Å; F469-F603 HydrophobicContact CD1-CD2 4.25Å; F469-F603 AromaticContact CD1-CG 3.93Å; F469-F603 HydrophobicContact CD1-CG 3.93Å; F469-F603 HydrophobicContact CE1-CB 3.96Å; F469-F603 HydrophobicContact CE1-CD1 4.09Å; F469-F603 AromaticContact CE1-CD2 3.83Å; F469-F603 HydrophobicContact CE1-CD2 3.83Å; F469-F603 HydrophobicContact CE1-CE2 4.34Å; F469-F603 AromaticContact CE1-CG 3.7Å; F469-F603 HydrophobicContact CE1-CG 3.7Å; F469-F603 HydrophobicContact CG-CB 4.48Å; F469-F603 HydrophobicContact CZ-CD2 4.26Å; F469-F603 HydrophobicContact CZ-CE2 4.49Å; F469-F605 HydrophobicContact CD1-CE2 4.37Å; F469-L706 HydrophobicContact CE1-CD1 4.01Å; F469-L706 HydrophobicContact CZ-CD1 3.76Å
470	M	98.9	Very high	97.6	Very high	1 Å²	1	34.4 Å²	34.4	1%	0.005	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	104.3	-171.4	-66.3	176.8	156.6	0	0	109.4	I468 V513 Y515 V585 L602 F603 I604 F605	I468-M470 HydrophobicContact CB-CE 4.46Å; I468-M470 HydrophobicContact CG2-CE 3.86Å; I468-M470 HydrophobicContact CG2-CG 3.95Å; M470-V513 CarbonylContact C-O 3.11Å; M470-V513 VanDerWaalsContact CA-O 3.32Å; M470-V513 WeakPolarHBondContact CA-O 3.43Å; M470-V513 HydrophobicContact CG-CB 4.28Å; M470-Y515 HydrophobicContact CB-CE1 4.15Å; M470-V585 HydrophobicContact CB-CG1 4Å; M470-V585 WeakPolarHBondContact CE-O 3.04Å; M470-V585 HydrophobicContact CG-CG1 4.21Å; M470-V585 HydrophobicContact SD-CG1 3.65Å; M470-L602 HydrophobicContact CE-CD1 4.17Å; M470-L602 HydrophobicContact CE-CD2 3.85Å; M470-L602 HydrophobicContact SD-CB 4.16Å; M470-L602 HydrophobicContact SD-CD1 3.94Å; M470-L602 HydrophobicContact SD-CD2 4.1Å; M470-L602 HydrophobicContact SD-CG 4.29Å; M470-F603 PolarHBondContact N-O 2.83Å; M470-I604 HydrophobicContact CB-CB 4.46Å; M470-I604 HydrophobicContact CB-CG1 4.13Å; M470-I604 HydrophobicContact CB-CG2 4.4Å; M470-I604 WeakPolarHBondContact O-CA 3.18Å; M470-I604 HydrophobicContact SD-CD1 4.09Å; M470-I604 HydrophobicContact SD-CG1 3.96Å; M470-F605 PolarHBondContact O-N 3.42Å
471	I	98.9	Very high	97.7	Very high	4 Å²	4	30.8 Å²	30.8	2%	0.021	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	118.5	-169.5	-51.5	174.9	0	0	0	110.9	V473 V483 V486 V513 T514 Y515 F605	I471-V473 HydrophobicContact CG2-CG1 4.08Å; I471-V473 PolarHBondContact O-N 2.88Å; I471-V483 HydrophobicContact CG2-CG1 4.38Å; I471-V483 HydrophobicContact CG2-CG2 4.23Å; I471-V486 HydrophobicContact CD1-CG1 3.76Å; I471-V486 HydrophobicContact CG1-CG1 4.16Å; I471-V513 PolarHBondContact N-O 2.82Å; I471-T514 HydrophobicContact CB-CG2 4.33Å; I471-T514 CarbonylContact O-C 3.53Å; I471-T514 VanDerWaalsContact O-CA 3.31Å; I471-T514 WeakPolarHBondContact O-CA 3.3Å; I471-Y515 VanDerWaalsContact C-CE1 3.41Å; I471-Y515 WeakPolarHBondContact O-CD1 3.19Å; I471-Y515 PolarHBondContact O-N 2.82Å; I471-F605 HydrophobicContact CG1-CD2 3.94Å; I471-F605 HydrophobicContact CG1-CE2 4.42Å
472	D	98.7	Very high	97.9	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	108.7	166.4	171.9	-3.4	0	0	0	109.7	S474 N477 Y515 F605 H606 S607	D472-S474 WeakPolarHBondContact OD1-CB 3.4Å; D472-S474 PolarHBondContact OD1-N 3.03Å; D472-S474 PolarHBondContact OD1-OG 2.95Å; D472-N477 VanDerWaalsContact CB-ND2 3.34Å; D472-N477 WeakPolarHBondContact CB-ND2 3.25Å; D472-N477 VanDerWaalsContact O-CB 3.26Å; D472-N477 WeakPolarHBondContact O-CB 3.45Å; D472-N477 PolarHBondContact O-ND2 2.64Å; D472-N477 PolarHBondContact OD2-ND2 2.98Å; D472-N477 VanDerWaalsContact OD2-ND2 3.16Å; D472-Y515 WeakPolarHBondContact CA-O 3.27Å; D472-Y515 HydrophobicContact CB-CE1 4.28Å; D472-Y515 HydrophobicContact CB-CE2 3.98Å; D472-Y515 VanDerWaalsContact N-CE1 3.35Å; D472-F605 WeakPolarHBondContact CB-O 3.37Å; D472-F605 PolarHBondContact N-O 3.01Å; D472-H606 WeakPolarHBondContact OD2-CA 3.37Å; D472-H606 IonicContact OD2-CD2 2.77Å; D472-H606 IonicContact OD2-CG 3.79Å; D472-S607 PolarHBondContact OD2-N 2.94Å; D472-S607 PolarHBondContact OD2-OG 2.9Å
473	V	98.7	Very high	98	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	13%	0.132	C	C	.	.			trans	-104.7	31.9	178.2	-63.4	0	0	0	0	111.9	I471 V483 T514 Y515 F572	I471-V473 HydrophobicContact CG2-CG1 4.08Å; I471-V473 PolarHBondContact O-N 2.88Å; V473-V483 HydrophobicContact CG1-CG1 4.02Å; V473-V483 HydrophobicContact CG1-CG2 4.04Å; V473-T514 HydrophobicContact CG1-CG2 3.77Å; V473-Y515 WeakPolarHBondContact CG2-O 3.39Å; V473-Y515 PolarHBondContact N-O 3.46Å; V473-F572 HydrophobicContact CB-CB 4.21Å; V473-F572 HydrophobicContact CB-CD1 4.35Å; V473-F572 HydrophobicContact CB-CD2 3.9Å; V473-F572 HydrophobicContact CB-CE2 4.36Å; V473-F572 HydrophobicContact CB-CG 3.9Å; V473-F572 HydrophobicContact CG1-CD2 3.88Å; V473-F572 HydrophobicContact CG1-CE2 4.22Å; V473-F572 HydrophobicContact CG1-CG 4.38Å; V473-F572 HydrophobicContact CG2-CD1 3.87Å; V473-F572 HydrophobicContact CG2-CD2 3.91Å; V473-F572 HydrophobicContact CG2-CE1 3.89Å; V473-F572 HydrophobicContact CG2-CE2 3.93Å; V473-F572 HydrophobicContact CG2-CG 3.88Å; V473-F572 HydrophobicContact CG2-CZ 3.92Å
474	S	98.1	Very high	98.1	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.137	C	C	.	.	S	Bend	trans	-66.9	163.4	166	66.5	0	0	0	0	112	D472 T476 N477 I478 E577	D472-S474 WeakPolarHBondContact OD1-CB 3.4Å; D472-S474 PolarHBondContact OD1-N 3.03Å; D472-S474 PolarHBondContact OD1-OG 2.95Å; S474-T476 PolarHBondContact O-N 2.89Å; S474-N477 PolarHBondContact O-N 2.82Å; S474-I478 PolarHBondContact O-N 2.87Å; S474-E577 WeakPolarHBondContact CA-O 3.27Å; S474-E577 WeakPolarHBondContact CB-O 3.39Å
475	Y	97.9	Very high	98.2	Very high	99 Å²	99	26.2 Å²	26.2	39%	0.388	13%	0.132	S	C	.	.	H	α-helix	trans	-48.8	-36.4	178	173.6	-100.9	0	0	0	113.2	N477 K479 T575 E577	Y475-N477 PolarHBondContact O-N 2.91Å; Y475-K479 HydrophobicContact CE1-CD 3.7Å; Y475-K479 WeakPolarHBondContact O-CB 3.49Å; Y475-K479 PolarHBondContact O-N 3.22Å; Y475-K479 PolarHBondContact OH-NZ 2.96Å; Y475-T575 WeakPolarHBondContact CD2-O 3.45Å; Y475-E577 PolarHBondContact N-O 2.83Å
476	T	96.6	Very high	98.2	Very high	45 Å²	45	26.2 Å²	26.2	28%	0.276	13%	0.132	S	C	.	.	H	α-helix	trans	-61.5	-43.5	-179.8	-58.3	0	0	0	0	112.5	S474 S480 S607	S474-T476 PolarHBondContact O-N 2.89Å; T476-S480 WeakPolarHBondContact O-CB 3.5Å; T476-S480 PolarHBondContact O-N 2.93Å; T476-S480 PolarHBondContact O-OG 2.86Å; T476-S607 WeakPolarHBondContact CB-OG 3.37Å; T476-S607 WeakPolarHBondContact CG2-OG 3Å
477	N	97.8	Very high	98.2	Very high	2 Å²	2	26.1 Å²	26.1	1%	0.011	13%	0.132	C	C	.	.	H	α-helix	trans	-85.6	-26.1	-176.7	-74	-29	0	0	0	114.4	D472 S474 Y475 S480 L482 V483 S607	D472-N477 VanDerWaalsContact CB-ND2 3.34Å; D472-N477 WeakPolarHBondContact CB-ND2 3.25Å; D472-N477 VanDerWaalsContact O-CB 3.26Å; D472-N477 WeakPolarHBondContact O-CB 3.45Å; D472-N477 PolarHBondContact O-ND2 2.64Å; D472-N477 PolarHBondContact OD2-ND2 2.98Å; D472-N477 VanDerWaalsContact OD2-ND2 3.16Å; S474-N477 PolarHBondContact O-N 2.82Å; Y475-N477 PolarHBondContact O-N 2.91Å; N477-S480 WeakPolarHBondContact CA-OG 3.47Å; N477-S480 PolarHBondContact O-OG 3.05Å; N477-L482 HydrophobicContact CB-CB 4.34Å; N477-L482 HydrophobicContact CB-CD2 4.34Å; N477-L482 PolarHBondContact O-N 3.15Å; N477-L482 VanDerWaalsContact O-N 3.09Å; N477-L482 WeakPolarHBondContact OD1-CD2 3.48Å; N477-V483 HydrophobicContact CB-CG2 3.79Å; N477-V483 PolarHBondContact O-N 3.09Å; N477-S607 VanDerWaalsContact OD1-CB 3.27Å; N477-S607 WeakPolarHBondContact OD1-CB 3.38Å
478	I	98.1	Very high	98.2	Very high	33 Å²	33	29.3 Å²	29.3	17%	0.169	15%	0.149	C	C	.	.	H	α-helix	trans	-67.4	-49.3	167.8	-66.1	-69.4	0	0	0	109.1	S474 S480 G481 V483 F572 T575	S474-I478 PolarHBondContact O-N 2.87Å; I478-S480 PolarHBondContact O-N 2.91Å; I478-G481 PolarHBondContact O-N 2.67Å; I478-G481 VanDerWaalsContact O-N 3.12Å; I478-V483 HydrophobicContact CD1-CB 3.84Å; I478-V483 HydrophobicContact CD1-CG1 4Å; I478-V483 HydrophobicContact CD1-CG2 3.7Å; I478-V483 HydrophobicContact CG1-CG2 4.18Å; I478-F572 HydrophobicContact CD1-CB 3.77Å; I478-F572 HydrophobicContact CG1-CB 4.23Å; I478-T575 HydrophobicContact CB-CG2 4.12Å; I478-T575 HydrophobicContact CG1-CG2 3.72Å
479	K	96.9	Very high	98.2	Very high	146 Å²	146	30 Å²	30	64%	0.635	15%	0.152	S	C	*	.	H	α-helix	trans	-64	-36.2	179.4	-175.3	-180	-167.2	164.4	0	114.2	Y475 G481	Y475-K479 HydrophobicContact CE1-CD 3.7Å; Y475-K479 WeakPolarHBondContact O-CB 3.49Å; Y475-K479 PolarHBondContact O-N 3.22Å; Y475-K479 PolarHBondContact OH-NZ 2.96Å; K479-G481 PolarHBondContact O-N 3.3Å
480	S	96.5	Very high	98.2	Very high	38 Å²	38	30 Å²	30	27%	0.266	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-14.4	177.2	69	0	0	0	0	113.1	T476 N477 I478 L482 V691	T476-S480 WeakPolarHBondContact O-CB 3.5Å; T476-S480 PolarHBondContact O-N 2.93Å; T476-S480 PolarHBondContact O-OG 2.86Å; N477-S480 WeakPolarHBondContact CA-OG 3.47Å; N477-S480 PolarHBondContact O-OG 3.05Å; I478-S480 PolarHBondContact O-N 2.91Å; S480-L482 VanDerWaalsContact C-N 3.27Å; S480-L482 WeakPolarHBondContact OG-CB 3.28Å; S480-L482 PolarHBondContact OG-N 3.29Å; S480-V691 WeakPolarHBondContact O-CG2 3.37Å
481	G	97.9	Very high	98.1	Very high	29 Å²	29	30.8 Å²	30.8	30%	0.299	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	80.7	1.7	-171.4	0	0	0	0	0	114.1	I478 K479 V483 K484 L485	I478-G481 PolarHBondContact O-N 2.67Å; I478-G481 VanDerWaalsContact O-N 3.12Å; K479-G481 PolarHBondContact O-N 3.3Å; G481-V483 PolarHBondContact O-N 2.85Å; G481-K484 PolarHBondContact O-N 3.46Å; G481-L485 PolarHBondContact O-N 3.05Å; G481-L485 VanDerWaalsContact O-N 3.1Å
482	L	98.4	Very high	98	Very high	2 Å²	2	34 Å²	34	1%	0.01	18%	0.175	C	C	.	.	H	α-helix	trans	-60.9	-45.2	-176.4	-180	70.6	0	0	0	112.5	N477 S480 K484 L485 V486 F662 F689 F698	N477-L482 HydrophobicContact CB-CB 4.34Å; N477-L482 HydrophobicContact CB-CD2 4.34Å; N477-L482 PolarHBondContact O-N 3.15Å; N477-L482 VanDerWaalsContact O-N 3.09Å; N477-L482 WeakPolarHBondContact OD1-CD2 3.48Å; S480-L482 VanDerWaalsContact C-N 3.27Å; S480-L482 WeakPolarHBondContact OG-CB 3.28Å; S480-L482 PolarHBondContact OG-N 3.29Å; L482-K484 PolarHBondContact O-N 3.13Å; L482-L485 WeakPolarHBondContact O-CB 3.42Å; L482-L485 PolarHBondContact O-N 2.84Å; L482-L485 VanDerWaalsContact O-N 3.1Å; L482-V486 HydrophobicContact CD1-CG2 3.97Å; L482-V486 HydrophobicContact CG-CG2 4.05Å; L482-V486 WeakPolarHBondContact O-CG2 3.45Å; L482-V486 PolarHBondContact O-N 2.9Å; L482-F662 HydrophobicContact CD1-CD1 4.05Å; L482-F662 HydrophobicContact CD1-CE1 3.58Å; L482-F662 HydrophobicContact CD1-CE2 4.16Å; L482-F662 HydrophobicContact CD1-CZ 3.65Å; L482-F662 HydrophobicContact CD2-CB 4.37Å; L482-F662 HydrophobicContact CD2-CD1 4.01Å; L482-F662 HydrophobicContact CD2-CD2 3.34Å; L482-F662 HydrophobicContact CD2-CE1 4.13Å; L482-F662 HydrophobicContact CD2-CE2 3.5Å; L482-F662 VanDerWaalsContact CD2-CE2 3.5Å; L482-F662 HydrophobicContact CD2-CG 3.62Å; L482-F662 HydrophobicContact CD2-CZ 3.89Å; L482-F662 HydrophobicContact CG-CE2 4.45Å; L482-F662 HydrophobicContact CG-CZ 4.41Å; L482-F689 HydrophobicContact CB-CE1 4.25Å; L482-F689 HydrophobicContact CD1-CE1 3.89Å; L482-F689 HydrophobicContact CD1-CZ 3.95Å; L482-F698 HydrophobicContact CD1-CD1 4.12Å; L482-F698 HydrophobicContact CD1-CE1 3.88Å; L482-F698 HydrophobicContact CD1-CZ 4.45Å
483	V	98.7	Very high	97.9	Very high	2 Å²	2	34 Å²	34	1%	0.012	18%	0.175	C	C	.	.	H	α-helix	trans	-55.9	-43.6	-177.7	176.2	0	0	0	0	110.9	I471 V473 N477 I478 G481 C487 I568	I471-V483 HydrophobicContact CG2-CG1 4.38Å; I471-V483 HydrophobicContact CG2-CG2 4.23Å; V473-V483 HydrophobicContact CG1-CG1 4.02Å; V473-V483 HydrophobicContact CG1-CG2 4.04Å; N477-V483 HydrophobicContact CB-CG2 3.79Å; N477-V483 PolarHBondContact O-N 3.09Å; I478-V483 HydrophobicContact CD1-CB 3.84Å; I478-V483 HydrophobicContact CD1-CG1 4Å; I478-V483 HydrophobicContact CD1-CG2 3.7Å; I478-V483 HydrophobicContact CG1-CG2 4.18Å; G481-V483 PolarHBondContact O-N 2.85Å; V483-C487 WeakPolarHBondContact O-CB 3.34Å; V483-C487 PolarHBondContact O-N 3.01Å; V483-C487 PolarHBondContact O-SG 2.62Å; V483-I568 HydrophobicContact CG1-CG2 3.77Å
484	K	98.6	Very high	97.8	Very high	112 Å²	112	34 Å²	34	49%	0.487	18%	0.175	S	C	.	.	H	α-helix	trans	-66.1	-47.3	176.4	-176.5	156.7	-173.5	148.3	0	112	G481 L482 V486 C487 D488 P569	G481-K484 PolarHBondContact O-N 3.46Å; L482-K484 PolarHBondContact O-N 3.13Å; K484-V486 VanDerWaalsContact C-N 3.3Å; K484-V486 PolarHBondContact O-N 3.16Å; K484-C487 PolarHBondContact O-N 2.95Å; K484-C487 VanDerWaalsContact O-N 3.16Å; K484-D488 WeakPolarHBondContact CE-OD2 3.32Å; K484-D488 WeakPolarHBondContact CG-OD2 3.3Å; K484-D488 WeakPolarHBondContact O-CB 3.49Å; K484-D488 PolarHBondContact O-N 3.41Å; K484-P569 HydrophobicContact CB-CB 4.13Å; K484-P569 HydrophobicContact CB-CG 4.14Å; K484-P569 HydrophobicContact CG-CB 4.47Å; K484-P569 HydrophobicContact CG-CG 4.32Å
485	L	98.7	Very high	97.7	Very high	34 Å²	34	38 Å²	38	18%	0.178	19%	0.194	C	C	.	.	H	α-helix	trans	-56.5	-42.8	178.3	-170.8	70.9	0	0	0	112.5	G481 L482 E489 F689 V691 F698 L699	G481-L485 PolarHBondContact O-N 3.05Å; G481-L485 VanDerWaalsContact O-N 3.1Å; L482-L485 WeakPolarHBondContact O-CB 3.42Å; L482-L485 PolarHBondContact O-N 2.84Å; L482-L485 VanDerWaalsContact O-N 3.1Å; L485-E489 PolarHBondContact O-N 2.86Å; L485-E489 VanDerWaalsContact O-N 3.12Å; L485-F689 HydrophobicContact CD2-CZ 3.89Å; L485-V691 HydrophobicContact CD1-CG1 4.22Å; L485-V691 HydrophobicContact CD2-CG1 4.29Å; L485-V691 HydrophobicContact CD2-CG2 4.25Å; L485-F698 HydrophobicContact CD2-CD1 3.92Å; L485-F698 HydrophobicContact CD2-CE1 4.28Å; L485-L699 HydrophobicContact CD1-CD1 3.98Å; L485-L699 HydrophobicContact CD2-CD2 4.45Å; L485-L699 HydrophobicContact CD2-CG 4.39Å; L485-L699 HydrophobicContact CG-CD1 4.34Å; L485-L699 HydrophobicContact CG-CD2 4.14Å; L485-L699 HydrophobicContact CG-CG 4.38Å
486	V	98.7	Very high	97.5	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-64.1	-49.2	175.6	173.9	0	0	0	0	110.8	I471 L482 K484 D488 L490 F605 F698	I471-V486 HydrophobicContact CD1-CG1 3.76Å; I471-V486 HydrophobicContact CG1-CG1 4.16Å; L482-V486 HydrophobicContact CD1-CG2 3.97Å; L482-V486 HydrophobicContact CG-CG2 4.05Å; L482-V486 WeakPolarHBondContact O-CG2 3.45Å; L482-V486 PolarHBondContact O-N 2.9Å; K484-V486 VanDerWaalsContact C-N 3.3Å; K484-V486 PolarHBondContact O-N 3.16Å; V486-D488 PolarHBondContact O-N 3.32Å; V486-L490 HydrophobicContact CG1-CD1 3.77Å; V486-L490 HydrophobicContact CG1-CG 4.36Å; V486-L490 WeakPolarHBondContact O-CB 3.15Å; V486-L490 VanDerWaalsContact O-CG 3.25Å; V486-L490 WeakPolarHBondContact O-CG 3.47Å; V486-L490 PolarHBondContact O-N 3.07Å; V486-F605 HydrophobicContact CG1-CD2 4.14Å; V486-F605 HydrophobicContact CG1-CE1 4.41Å; V486-F605 HydrophobicContact CG1-CE2 3.91Å; V486-F605 HydrophobicContact CG1-CG 4.49Å; V486-F605 HydrophobicContact CG1-CZ 4.05Å; V486-F605 HydrophobicContact CG2-CD1 4.08Å; V486-F605 HydrophobicContact CG2-CE1 4.34Å; V486-F605 HydrophobicContact CG2-CG 4.32Å; V486-F698 HydrophobicContact CG2-CE1 3.89Å; V486-F698 HydrophobicContact CG2-CZ 3.82Å
487	C	98.8	Very high	97.5	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-66	-38.2	-177.3	-65.1	0	0	0	0	112.6	V483 K484 K491 L565 P569	V483-C487 WeakPolarHBondContact O-CB 3.34Å; V483-C487 PolarHBondContact O-N 3.01Å; V483-C487 PolarHBondContact O-SG 2.62Å; K484-C487 PolarHBondContact O-N 2.95Å; K484-C487 VanDerWaalsContact O-N 3.16Å; C487-K491 WeakPolarHBondContact O-CE 3.27Å; C487-K491 WeakPolarHBondContact O-CG 3.3Å; C487-K491 PolarHBondContact O-N 3.12Å; C487-L565 HydrophobicContact CB-CB 4.25Å; C487-L565 HydrophobicContact CB-CD2 4.17Å; C487-L565 WeakPolarHBondContact CB-O 3.27Å; C487-P569 HydrophobicContact CB-CG 4.17Å
488	D	98.4	Very high	97.4	Very high	67 Å²	67	37 Å²	37	36%	0.358	19%	0.19	S	C	.	.	H	α-helix	trans	-71.4	-39.7	179	-73.6	-28.3	0	0	0	112.4	K484 V486 K491	K484-D488 WeakPolarHBondContact CE-OD2 3.32Å; K484-D488 WeakPolarHBondContact CG-OD2 3.3Å; K484-D488 WeakPolarHBondContact O-CB 3.49Å; K484-D488 PolarHBondContact O-N 3.41Å; V486-D488 PolarHBondContact O-N 3.32Å; D488-K491 IonicContact OD1-NZ 3.07Å; D488-K491 PolarHBondContact OD1-NZ 2.69Å
489	E	98.1	Very high	97.2	Very high	16 Å²	16	42.4 Å²	42.4	8%	0.075	21%	0.209	C	C	.	.	H	α-helix	trans	-64.6	-45.2	172.6	177	73.8	-156.2	0	0	111.4	L485 K491 T492 L493 L699 L702 R703	L485-E489 PolarHBondContact O-N 2.86Å; L485-E489 VanDerWaalsContact O-N 3.12Å; E489-K491 PolarHBondContact O-N 3.09Å; E489-T492 WeakPolarHBondContact O-CA 3.36Å; E489-T492 PolarHBondContact O-N 3.29Å; E489-T492 PolarHBondContact O-OG1 2.95Å; E489-L493 HydrophobicContact CG-CB 4.13Å; E489-L493 HydrophobicContact CG-CD2 4.28Å; E489-L493 PolarHBondContact O-N 2.78Å; E489-L699 HydrophobicContact CB-CD2 3.61Å; E489-L699 HydrophobicContact CG-CD2 3.73Å; E489-L702 HydrophobicContact CG-CD2 4.48Å; E489-R703 VanDerWaalsContact CD-NE 3.3Å; E489-R703 VanDerWaalsContact OE1-CG 3.23Å; E489-R703 WeakPolarHBondContact OE1-CG 3.35Å; E489-R703 IonicContact OE1-CZ 2.68Å; E489-R703 IonicContact OE1-NE 3.56Å; E489-R703 PolarHBondContact OE1-NE 3.03Å; E489-R703 IonicContact OE1-NH2 3.17Å; E489-R703 IonicContact OE2-CZ 2.71Å; E489-R703 IonicContact OE2-NE 2.68Å; E489-R703 PolarHBondContact OE2-NE 2.93Å; E489-R703 IonicContact OE2-NH2 3.46Å; E489-R703 PolarHBondContact OE2-NH2 3.38Å
490	L	98.4	Very high	96.8	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-57.8	-34.1	-175.4	-78	173.8	0	0	0	112.9	F469 V486 T492 L493 L494 L565	F469-L490 HydrophobicContact CB-CD1 4.34Å; F469-L490 HydrophobicContact CD1-CD1 4.19Å; F469-L490 HydrophobicContact CD1-CD2 3.71Å; F469-L490 HydrophobicContact CE1-CD2 3.62Å; F469-L490 HydrophobicContact CG-CD1 4.23Å; F469-L490 HydrophobicContact CG-CD2 4.28Å; F469-L490 HydrophobicContact CZ-CD2 4.12Å; V486-L490 HydrophobicContact CG1-CD1 3.77Å; V486-L490 HydrophobicContact CG1-CG 4.36Å; V486-L490 WeakPolarHBondContact O-CB 3.15Å; V486-L490 VanDerWaalsContact O-CG 3.25Å; V486-L490 WeakPolarHBondContact O-CG 3.47Å; V486-L490 PolarHBondContact O-N 3.07Å; L490-T492 PolarHBondContact O-N 3.3Å; L490-T492 VanDerWaalsContact O-N 3.15Å; L490-L493 PolarHBondContact O-N 2.73Å; L490-L494 HydrophobicContact CD2-CD2 4.43Å; L490-L494 HydrophobicContact CD2-CG 4.47Å; L490-L494 WeakPolarHBondContact O-CD1 3.38Å; L490-L494 WeakPolarHBondContact O-CG 3.2Å; L490-L494 PolarHBondContact O-N 3.05Å; L490-L565 HydrophobicContact CB-CD1 3.88Å; L490-L565 HydrophobicContact CB-CD2 4.4Å; L490-L565 HydrophobicContact CD1-CD2 4.31Å
491	K	96.9	Very high	96.2	Very high	18 Å²	18	44.4 Å²	44.4	8%	0.078	22%	0.221	C	C	.	.	H	α-helix	trans	-53.6	-33.4	172.3	-66.2	162.7	-161.4	173.9	0	112.4	C487 D488 E489 Y554 Y562 L565 D566	C487-K491 WeakPolarHBondContact O-CE 3.27Å; C487-K491 WeakPolarHBondContact O-CG 3.3Å; C487-K491 PolarHBondContact O-N 3.12Å; D488-K491 IonicContact OD1-NZ 3.07Å; D488-K491 PolarHBondContact OD1-NZ 2.69Å; E489-K491 PolarHBondContact O-N 3.09Å; K491-Y554 PolarHBondContact O-OH 3.36Å; K491-Y562 HydrophobicContact CB-CD1 4.39Å; K491-Y562 HydrophobicContact CB-CE1 4.03Å; K491-Y562 HydrophobicContact CB-CE2 4.43Å; K491-Y562 HydrophobicContact CG-CD1 4.28Å; K491-Y562 HydrophobicContact CG-CE1 4.42Å; K491-Y562 HydrophobicContact CG-CG 4.47Å; K491-Y562 PolarHBondContact O-OH 2.99Å; K491-L565 HydrophobicContact CD-CB 4.32Å; K491-L565 VanDerWaalsContact CE-O 3.23Å; K491-L565 WeakPolarHBondContact CE-O 3.41Å; K491-L565 HydrophobicContact CG-CB 3.93Å; K491-L565 HydrophobicContact CG-CD1 3.9Å; K491-L565 PolarHBondContact NZ-O 3.4Å; K491-L565 VanDerWaalsContact NZ-O 3.08Å; K491-D566 WeakPolarHBondContact CE-OD1 3.13Å; K491-D566 IonicContact NZ-OD1 3.7Å; K491-D566 PolarHBondContact NZ-OD1 2.73Å
492	T	96.2	Very high	95.5	Very high	70 Å²	70	47 Å²	47	43%	0.429	25%	0.249	S	C	.	.	H	α-helix	trans	-100.6	-29.1	-179.3	76.6	0	0	0	0	113.8	E489 L490	E489-T492 WeakPolarHBondContact O-CA 3.36Å; E489-T492 PolarHBondContact O-N 3.29Å; E489-T492 PolarHBondContact O-OG1 2.95Å; L490-T492 PolarHBondContact O-N 3.3Å; L490-T492 VanDerWaalsContact O-N 3.15Å
493	L	96.6	Very high	95	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-77.7	-29.6	-174.7	179.8	58.5	0	0	0	112.4	E489 L490 E495 K496 L702 R703 L706	E489-L493 HydrophobicContact CG-CB 4.13Å; E489-L493 HydrophobicContact CG-CD2 4.28Å; E489-L493 PolarHBondContact O-N 2.78Å; L490-L493 PolarHBondContact O-N 2.73Å; L493-E495 PolarHBondContact O-N 3.06Å; L493-K496 HydrophobicContact CD1-CB 4.43Å; L493-K496 HydrophobicContact CD1-CD 4.26Å; L493-K496 WeakPolarHBondContact O-CA 3.44Å; L493-K496 WeakPolarHBondContact O-CB 3.23Å; L493-K496 PolarHBondContact O-N 3.38Å; L493-L702 HydrophobicContact CD2-CD1 4.39Å; L493-L702 HydrophobicContact CD2-CD2 4.1Å; L493-L702 HydrophobicContact CD2-CG 3.7Å; L493-R703 HydrophobicContact CD1-CB 4.34Å; L493-R703 HydrophobicContact CD1-CG 4.05Å; L493-L706 HydrophobicContact CD1-CB 4.45Å; L493-L706 HydrophobicContact CD1-CD2 3.92Å; L493-L706 HydrophobicContact CD2-CB 4.28Å; L493-L706 HydrophobicContact CD2-CD1 4.06Å; L493-L706 HydrophobicContact CG-CB 4.47Å; L493-L706 HydrophobicContact CG-CD1 4Å; L493-L706 HydrophobicContact CG-CD2 4.01Å; L493-L706 HydrophobicContact CG-CG 4.37Å
494	L	97.4	Very high	94.5	Very high	2 Å²	2	57.7 Å²	57.7	1%	0.01	31%	0.305	C	S	.	.	G	3₁₀ helix	trans	-68.6	-19.6	179.3	-65.3	173.5	0	0	0	113.6	F469 L490 K496 L497 V510 F512 Y554 I561	F469-L494 HydrophobicContact CE2-CD2 3.62Å; F469-L494 HydrophobicContact CZ-CD2 3.67Å; L490-L494 HydrophobicContact CD2-CD2 4.43Å; L490-L494 HydrophobicContact CD2-CG 4.47Å; L490-L494 WeakPolarHBondContact O-CD1 3.38Å; L490-L494 WeakPolarHBondContact O-CG 3.2Å; L490-L494 PolarHBondContact O-N 3.05Å; L494-K496 PolarHBondContact O-N 3.46Å; L494-L497 HydrophobicContact CD2-CD1 4.35Å; L494-L497 HydrophobicContact CD2-CD2 4.32Å; L494-L497 HydrophobicContact CD2-CG 4.35Å; L494-L497 WeakPolarHBondContact O-CD1 3.21Å; L494-L497 VanDerWaalsContact O-CG 3.29Å; L494-L497 WeakPolarHBondContact O-CG 3.26Å; L494-L497 PolarHBondContact O-N 3.02Å; L494-V510 HydrophobicContact CD2-CG1 4.09Å; L494-F512 HydrophobicContact CD1-CE1 4.18Å; L494-F512 HydrophobicContact CD1-CZ 3.75Å; L494-Y554 HydrophobicContact CB-CD1 4.06Å; L494-Y554 HydrophobicContact CB-CD2 3.55Å; L494-Y554 HydrophobicContact CB-CE1 3.93Å; L494-Y554 HydrophobicContact CB-CE2 3.4Å; L494-Y554 VanDerWaalsContact CB-CE2 3.4Å; L494-Y554 HydrophobicContact CB-CG 3.88Å; L494-Y554 HydrophobicContact CD1-CD2 3.78Å; L494-Y554 HydrophobicContact CD1-CE2 3.82Å; L494-Y554 HydrophobicContact CG-CD2 4.28Å; L494-Y554 HydrophobicContact CG-CE2 4.27Å; L494-Y554 WeakPolarHBondContact O-CD1 3.16Å; L494-I561 HydrophobicContact CD1-CG2 4.14Å
495	E	95.3	Very high	94.2	Very high	82 Å²	82	54.8 Å²	54.8	38%	0.383	30%	0.302	S	S	.	.	G	3₁₀ helix	trans	-63.4	-19.1	166.7	-64.2	-83.5	-129.5	0	0	112.9	L493 Y554 Q555 R558	L493-E495 PolarHBondContact O-N 3.06Å; E495-Y554 HydrophobicContact CG-CE1 4.18Å; E495-Y554 WeakPolarHBondContact OE2-CE1 3.33Å; E495-Q555 PolarHBondContact OE2-NE2 2.91Å; E495-R558 IonicContact OE1-CZ 2.77Å; E495-R558 IonicContact OE1-NH1 2.8Å; E495-R558 PolarHBondContact OE1-NH1 3.3Å; E495-R558 IonicContact OE1-NH2 2.84Å; E495-R558 PolarHBondContact OE1-NH2 2.65Å; E495-R558 IonicContact OE2-NH1 2.6Å; E495-R558 PolarHBondContact OE2-NH1 2.81Å
496	K	95.7	Very high	94.1	Very high	92 Å²	92	54 Å²	54	40%	0.4	30%	0.3	S	S	.	.	G	3₁₀ helix	trans	-106.5	17	-175.7	-50.9	171.5	-170.3	159.6	0	112.2	L493 L494 Q707	L493-K496 HydrophobicContact CD1-CB 4.43Å; L493-K496 HydrophobicContact CD1-CD 4.26Å; L493-K496 WeakPolarHBondContact O-CA 3.44Å; L493-K496 WeakPolarHBondContact O-CB 3.23Å; L493-K496 PolarHBondContact O-N 3.38Å; L494-K496 PolarHBondContact O-N 3.46Å; K496-Q707 HydrophobicContact CB-CG 4.16Å
497	L	96.6	Very high	94	Very high	14 Å²	14	56.1 Å²	56.1	7%	0.073	32%	0.317	C	S	.	.			trans	-53.7	133.3	171.4	-77.8	166.9	0	0	0	110.2	Y467 L494 I508 V510 Y554 L706	Y467-L497 HydrophobicContact CD2-CD2 3.62Å; Y467-L497 HydrophobicContact CE2-CD2 3.89Å; L494-L497 HydrophobicContact CD2-CD1 4.35Å; L494-L497 HydrophobicContact CD2-CD2 4.32Å; L494-L497 HydrophobicContact CD2-CG 4.35Å; L494-L497 WeakPolarHBondContact O-CD1 3.21Å; L494-L497 VanDerWaalsContact O-CG 3.29Å; L494-L497 WeakPolarHBondContact O-CG 3.26Å; L494-L497 PolarHBondContact O-N 3.02Å; L497-I508 HydrophobicContact CD2-CG2 4.46Å; L497-V510 HydrophobicContact CD1-CG1 3.75Å; L497-V510 HydrophobicContact CD2-CG1 4.37Å; L497-Y554 HydrophobicContact CD1-CG 4.42Å; L497-L706 HydrophobicContact CD2-CD1 4.28Å; L497-L706 HydrophobicContact CD2-CD2 4.27Å; L497-L706 HydrophobicContact CD2-CG 4.42Å
498	P	95	Very high	94	Very high	20 Å²	20	56.2 Å²	56.2	13%	0.13	32%	0.318	C	S	.	.			trans	-66.5	144.5	-174.5	24.5	-30.8	0	0	0	111	S506 I508 L706 I779	P498-S506 WeakPolarHBondContact O-CB 3.27Å; P498-S506 PolarHBondContact O-OG 3.29Å; P498-I508 HydrophobicContact CG-CD1 3.76Å; P498-L706 VanDerWaalsContact CD-O 3.29Å; P498-L706 WeakPolarHBondContact CD-O 3.38Å; P498-I779 HydrophobicContact CB-CD1 4.05Å
499	R	93.3	Very high	94	Very high	147 Å²	147	57.9 Å²	57.9	56%	0.555	32%	0.322	S	S	*	.			trans	-140.5	155	-179.2	62.8	-172.4	173.2	-165	-11.7	109.1	A503 E504	R499-A503 HydrophobicContact CB-CB 4.39Å; R499-A503 WeakPolarHBondContact CD-O 3.38Å; R499-E504 PolarHBondContact NH1-O 2.99Å
500	E	88.6	Confident	94	Very high	50 Å²	50	57.1 Å²	57.1	23%	0.234	32%	0.318	C	S	.	.			trans	-70	152	174.9	-68.1	-170.7	-172.6	0	0	110.8	G502 A503 T778 I779 S780 Q782 R784	E500-G502 PolarHBondContact O-N 3.31Å; E500-A503 VanDerWaalsContact O-CB 3.28Å; E500-A503 WeakPolarHBondContact O-CB 3Å; E500-A503 PolarHBondContact O-N 3.24Å; E500-T778 VanDerWaalsContact OE1-CB 3.23Å; E500-T778 WeakPolarHBondContact OE1-CB 3.3Å; E500-T778 PolarHBondContact OE1-OG1 3.46Å; E500-I779 HydrophobicContact CG-CD1 4.4Å; E500-I779 HydrophobicContact CG-CG1 4.01Å; E500-S780 VanDerWaalsContact OE1-CB 3.26Å; E500-S780 WeakPolarHBondContact OE1-CB 3.4Å; E500-S780 PolarHBondContact OE1-OG 2.8Å; E500-S780 PolarHBondContact OE2-OG 2.72Å; E500-Q782 PolarHBondContact OE2-NE2 3.15Å; E500-R784 IonicContact OE1-NH2 3.47Å; E500-R784 IonicContact OE2-NH2 3.64Å
501	D	83.1	Confident	94	Very high	175 Å²	175	57.1 Å²	57.1	94%	0.936	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	127.1	-179	-70.4	-52.4	0	0	0	111.1
502	G	83.4	Confident	94.1	Very high	85 Å²	85	56.4 Å²	56.4	88%	0.876	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.1	-5.9	-175.3	0	0	0	0	0	115.6	E500	E500-G502 PolarHBondContact O-N 3.31Å
503	A	89.5	Confident	94.2	Very high	41 Å²	41	53.1 Å²	53.1	34%	0.339	30%	0.295	S	S	.	.			trans	-77	137.4	172.2	0	0	0	0	0	111.8	R499 E500	R499-A503 HydrophobicContact CB-CB 4.39Å; R499-A503 WeakPolarHBondContact CD-O 3.38Å; E500-A503 VanDerWaalsContact O-CB 3.28Å; E500-A503 WeakPolarHBondContact O-CB 3Å; E500-A503 PolarHBondContact O-N 3.24Å
504	E	88.2	Confident	94.3	Very high	186 Å²	186	53.1 Å²	53.1	87%	0.869	30%	0.295	S	S	*	.	S	Bend	trans	-69.1	-45.3	178.3	-61.5	-174.1	155.1	0	0	111.8	R499	R499-E504 PolarHBondContact NH1-O 2.99Å
505	A	92.4	Very high	94.4	Very high	51 Å²	51	53 Å²	53	42%	0.421	30%	0.295	S	S	.	.	S	Bend	trans	-125.9	163.6	-179.4	0	0	0	0	0	111.6
506	S	96.3	Very high	94.4	Very high	19 Å²	19	49.7 Å²	49.7	13%	0.133	28%	0.279	C	S	.	.			trans	-74.9	140.6	169	-173.7	0	0	0	0	110.8	P498 I508 N553	P498-S506 WeakPolarHBondContact O-CB 3.27Å; P498-S506 PolarHBondContact O-OG 3.29Å; S506-I508 VanDerWaalsContact C-N 3.26Å; S506-I508 WeakPolarHBondContact OG-CB 3.19Å; S506-I508 WeakPolarHBondContact OG-CG1 3.36Å; S506-I508 PolarHBondContact OG-N 2.85Å; S506-I508 VanDerWaalsContact OG-N 3.12Å; S506-N553 PolarHBondContact O-ND2 2.72Å
507	A	96.6	Very high	94.4	Very high	44 Å²	44	49 Å²	49	36%	0.364	28%	0.276	S	S	.	.			trans	-80.3	-8.4	169.6	0	0	0	0	0	112.6	P464 K509	P464-A507 HydrophobicContact CB-CB 3.93Å; P464-A507 HydrophobicContact CG-CB 4.11Å; A507-K509 PolarHBondContact O-N 2.77Å
508	I	97.8	Very high	94.4	Very high	1 Å²	1	49.8 Å²	49.8	1%	0.005	28%	0.282	C	S	.	.			trans	-70.9	124.7	-178	-59.8	178.6	0	0	0	109.9	P465 Y467 L497 P498 S506 I779	P465-I508 HydrophobicContact CG-CG1 4.38Å; P465-I508 WeakPolarHBondContact O-CA 3.16Å; Y467-I508 HydrophobicContact CD1-CG2 3.73Å; Y467-I508 HydrophobicContact CD2-CG2 4.17Å; Y467-I508 HydrophobicContact CE1-CD1 3.95Å; Y467-I508 HydrophobicContact CE1-CG2 4.04Å; Y467-I508 HydrophobicContact CE2-CD1 4.29Å; Y467-I508 HydrophobicContact CE2-CG2 4.48Å; Y467-I508 HydrophobicContact CG-CG2 3.79Å; L497-I508 HydrophobicContact CD2-CG2 4.46Å; P498-I508 HydrophobicContact CG-CD1 3.76Å; S506-I508 VanDerWaalsContact C-N 3.26Å; S506-I508 WeakPolarHBondContact OG-CB 3.19Å; S506-I508 WeakPolarHBondContact OG-CG1 3.36Å; S506-I508 PolarHBondContact OG-N 2.85Å; S506-I508 VanDerWaalsContact OG-N 3.12Å; I508-I779 HydrophobicContact CD1-CB 4.1Å; I508-I779 HydrophobicContact CD1-CG2 4.02Å; I508-I779 HydrophobicContact CG1-CB 4.34Å
509	K	97.9	Very high	94.6	Very high	102 Å²	102	48.9 Å²	48.9	44%	0.443	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	152.2	172	-64.8	177.5	-179.8	179.8	0	110.9	P465 A466 Y467 A507 L551 V552	P465-K509 PolarHBondContact O-N 3.1Å; A466-K509 CarbonylContact C-O 3.55Å; A466-K509 VanDerWaalsContact CA-O 3.25Å; A466-K509 WeakPolarHBondContact CA-O 3.39Å; A466-K509 HydrophobicContact CB-CB 3.99Å; Y467-K509 PolarHBondContact N-O 2.8Å; A507-K509 PolarHBondContact O-N 2.77Å; K509-L551 HydrophobicContact CB-CB 4.16Å; K509-L551 HydrophobicContact CD-CB 4.21Å; K509-V552 CarbonylContact C-O 3.37Å; K509-V552 WeakPolarHBondContact CA-O 3.5Å; K509-V552 WeakPolarHBondContact CB-O 3.08Å
510	V	98.6	Very high	94.8	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	145.9	176.8	-63.1	0	0	0	0	111.7	Y467 F469 L494 L497 F512 F550 L551 V552 I561	Y467-V510 CarbonylContact O-C 3.51Å; Y467-V510 VanDerWaalsContact O-CA 3.31Å; Y467-V510 WeakPolarHBondContact O-CA 3.29Å; F469-V510 HydrophobicContact CE2-CB 4.47Å; F469-V510 HydrophobicContact CE2-CG1 4.21Å; L494-V510 HydrophobicContact CD2-CG1 4.09Å; L497-V510 HydrophobicContact CD1-CG1 3.75Å; L497-V510 HydrophobicContact CD2-CG1 4.37Å; V510-F512 HydrophobicContact CB-CE2 4.31Å; V510-F512 HydrophobicContact CB-CZ 4.36Å; V510-F512 HydrophobicContact CG2-CE2 3.96Å; V510-F512 HydrophobicContact CG2-CZ 4.21Å; V510-F550 VanDerWaalsContact O-O 3.12Å; V510-L551 WeakPolarHBondContact O-CA 3.12Å; V510-V552 HydrophobicContact CG2-CG2 4.21Å; V510-V552 PolarHBondContact N-O 2.86Å; V510-V552 PolarHBondContact O-N 2.66Å; V510-I561 HydrophobicContact CG2-CD1 3.82Å
511	G	98.6	Very high	95.3	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	159.9	170.8	0	0	0	0	0	112.1	Y467 I468 F469 F550	Y467-G511 PolarHBondContact O-N 2.86Å; I468-G511 WeakPolarHBondContact CA-O 3.43Å; F469-G511 PolarHBondContact N-O 2.93Å; G511-F550 VanDerWaalsContact CA-O 3.28Å; G511-F550 WeakPolarHBondContact CA-O 3.42Å
512	F	98.8	Very high	96.1	Very high	3 Å²	3	31.8 Å²	31.8	1%	0.013	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	131.8	-171.7	-57.8	-87.7	0	0	0	111.4	F469 L494 V510 Y522 V524 F550 I561 L564 L565	F469-F512 HydrophobicContact CB-CD1 4.09Å; F469-F512 HydrophobicContact CB-CE1 4.4Å; F469-F512 HydrophobicContact CD2-CD1 4.21Å; F469-F512 AromaticContact CD2-CE1 3.81Å; F469-F512 HydrophobicContact CD2-CE1 3.81Å; F469-F512 HydrophobicContact CD2-CZ 4.38Å; F469-F512 HydrophobicContact CG-CE1 4.36Å; L494-F512 HydrophobicContact CD1-CE1 4.18Å; L494-F512 HydrophobicContact CD1-CZ 3.75Å; V510-F512 HydrophobicContact CB-CE2 4.31Å; V510-F512 HydrophobicContact CB-CZ 4.36Å; V510-F512 HydrophobicContact CG2-CE2 3.96Å; V510-F512 HydrophobicContact CG2-CZ 4.21Å; F512-Y522 HydrophobicContact CB-CD2 4.29Å; F512-Y522 WeakPolarHBondContact O-CD2 3.34Å; F512-Y522 PolarHBondContact O-N 3.39Å; F512-V524 HydrophobicContact CD2-CG2 4.35Å; F512-F550 WeakPolarHBondContact O-CE2 3.43Å; F512-I561 HydrophobicContact CE1-CG2 4.44Å; F512-I561 HydrophobicContact CE2-CB 4.46Å; F512-I561 HydrophobicContact CE2-CD1 4.04Å; F512-I561 HydrophobicContact CE2-CG1 3.89Å; F512-I561 HydrophobicContact CE2-CG2 3.81Å; F512-I561 HydrophobicContact CZ-CG1 4.49Å; F512-I561 HydrophobicContact CZ-CG2 3.58Å; F512-L564 HydrophobicContact CB-CD2 3.9Å; F512-L564 HydrophobicContact CD2-CD2 4.19Å; F512-L564 HydrophobicContact CG-CD2 4.07Å; F512-L565 HydrophobicContact CD1-CD2 4.35Å; F512-L565 HydrophobicContact CE1-CD2 4.26Å
513	V	98.9	Very high	96.8	Very high	2 Å²	2	28.8 Å²	28.8	1%	0.012	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	134.7	173.9	-176.2	0	0	0	0	108.5	I468 F469 M470 I471 L519 H520 F521 F550	I468-V513 HydrophobicContact CG2-CG2 4.15Å; F469-V513 PolarHBondContact O-N 3.21Å; M470-V513 CarbonylContact C-O 3.11Å; M470-V513 VanDerWaalsContact CA-O 3.32Å; M470-V513 WeakPolarHBondContact CA-O 3.43Å; M470-V513 HydrophobicContact CG-CB 4.28Å; I471-V513 PolarHBondContact N-O 2.82Å; V513-L519 HydrophobicContact CG1-CB 4.37Å; V513-L519 HydrophobicContact CG1-CD2 4.37Å; V513-L519 HydrophobicContact CG1-CG 4.45Å; V513-H520 WeakPolarHBondContact CA-O 3.05Å; V513-F521 HydrophobicContact CG2-CD1 3.83Å; V513-F521 HydrophobicContact CG2-CE1 4.11Å; V513-F521 HydrophobicContact CG2-CG 4.42Å; V513-F550 HydrophobicContact CG2-CE2 3.71Å; V513-F550 HydrophobicContact CG2-CZ 3.69Å
514	T	98.9	Very high	97.2	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	150.5	163.3	56.5	0	0	0	0	108.6	I471 V473 H520 Y522 I568 F572	I471-T514 HydrophobicContact CB-CG2 4.33Å; I471-T514 CarbonylContact O-C 3.53Å; I471-T514 VanDerWaalsContact O-CA 3.31Å; I471-T514 WeakPolarHBondContact O-CA 3.3Å; V473-T514 HydrophobicContact CG1-CG2 3.77Å; T514-H520 PolarHBondContact N-O 3.34Å; T514-H520 PolarHBondContact O-N 3.07Å; T514-H520 PolarHBondContact O-ND1 3.14Å; T514-H520 PolarHBondContact OG1-ND1 3.37Å; T514-Y522 HydrophobicContact CG2-CE2 3.83Å; T514-Y522 WeakPolarHBondContact OG1-CE2 3.32Å; T514-Y522 PolarHBondContact OG1-OH 2.58Å; T514-I568 HydrophobicContact CG2-CD1 3.92Å; T514-I568 HydrophobicContact CG2-CG1 4.17Å; T514-I568 HydrophobicContact CG2-CG2 3.87Å; T514-F572 HydrophobicContact CG2-CE2 4.11Å; T514-F572 WeakPolarHBondContact OG1-CE2 3.26Å; T514-F572 WeakPolarHBondContact OG1-CZ 3.45Å
515	Y	98.8	Very high	97.6	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	156.2	179.6	66.6	-83.1	0	0	0	113	M470 I471 D472 V473 V518 V581 V585 I604 F605 H606	M470-Y515 HydrophobicContact CB-CE1 4.15Å; I471-Y515 VanDerWaalsContact C-CE1 3.41Å; I471-Y515 WeakPolarHBondContact O-CD1 3.19Å; I471-Y515 PolarHBondContact O-N 2.82Å; D472-Y515 WeakPolarHBondContact CA-O 3.27Å; D472-Y515 HydrophobicContact CB-CE1 4.28Å; D472-Y515 HydrophobicContact CB-CE2 3.98Å; D472-Y515 VanDerWaalsContact N-CE1 3.35Å; V473-Y515 WeakPolarHBondContact CG2-O 3.39Å; V473-Y515 PolarHBondContact N-O 3.46Å; Y515-V518 CarbonylContact C-O 3.44Å; Y515-V518 VanDerWaalsContact CA-O 3.23Å; Y515-V518 WeakPolarHBondContact CA-O 3.08Å; Y515-V518 WeakPolarHBondContact CB-O 3.33Å; Y515-V581 WeakPolarHBondContact CE2-O 3.26Å; Y515-V585 HydrophobicContact CD1-CG1 3.83Å; Y515-V585 HydrophobicContact CD1-CG2 4.13Å; Y515-V585 HydrophobicContact CD2-CG2 3.51Å; Y515-V585 HydrophobicContact CE1-CG1 3.73Å; Y515-V585 HydrophobicContact CE1-CG2 4.33Å; Y515-V585 HydrophobicContact CE2-CG2 3.73Å; Y515-V585 HydrophobicContact CG-CG1 4.29Å; Y515-V585 HydrophobicContact CG-CG2 3.73Å; Y515-I604 HydrophobicContact CE1-CG2 4.4Å; Y515-I604 VanDerWaalsContact OH-CG2 3.32Å; Y515-I604 WeakPolarHBondContact OH-CG2 3.31Å; Y515-F605 PolarHBondContact OH-O 3.3Å; Y515-H606 AromaticContact CE2-CE1 3.81Å; Y515-H606 AromaticContact CE2-ND1 3.46Å; Y515-H606 WeakPolarHBondContact CE2-ND1 3.41Å; Y515-H606 AromaticContact CZ-ND1 3.57Å; Y515-H606 PolarHBondContact OH-ND1 3Å
516	N	95.3	Very high	97.8	Very high	11 Å²	11	22.9 Å²	22.9	6%	0.059	12%	0.123	C	C	.	.	S	Bend	trans	-132.5	-107.2	165.7	48.6	43.8	0	0	0	107.5	V518 E577 T580 V581	N516-V518 PolarHBondContact N-O 2.98Å; N516-V518 PolarHBondContact OD1-N 3.15Å; N516-E577 HydrophobicContact CB-CB 4.21Å; N516-T580 CarbonylContact O-C 3.5Å; N516-T580 VanDerWaalsContact O-CA 3.3Å; N516-T580 WeakPolarHBondContact O-CA 3.33Å; N516-V581 PolarHBondContact O-N 2.75Å
517	K	95.6	Very high	97.7	Very high	78 Å²	78	26.5 Å²	26.5	34%	0.339	15%	0.154	S	C	.	.	S	Bend	trans	-83.9	-16	162.3	70.4	-168.8	177.2	-156	0	113.4	E577 E579 A612	K517-E577 VanDerWaalsContact CE-CD 3.49Å; K517-E577 VanDerWaalsContact CE-OE1 3.29Å; K517-E577 WeakPolarHBondContact CE-OE1 3.32Å; K517-E577 VanDerWaalsContact CE-OE2 3.26Å; K517-E577 WeakPolarHBondContact CE-OE2 3.01Å; K517-E577 IonicContact NZ-OE1 3.9Å; K517-E577 PolarHBondContact NZ-OE1 2.85Å; K517-E577 IonicContact NZ-OE2 3.21Å; K517-E577 PolarHBondContact NZ-OE2 3.07Å; K517-E579 PolarHBondContact N-O 2.76Å; K517-A612 HydrophobicContact CB-CB 3.92Å
518	V	97.3	Very high	97.7	Very high	31 Å²	31	26.6 Å²	26.6	19%	0.188	15%	0.148	C	C	.	.	S	Bend	trans	-120.8	164.2	170.2	-59.6	0	0	0	0	110.9	Y515 N516 V535	Y515-V518 CarbonylContact C-O 3.44Å; Y515-V518 VanDerWaalsContact CA-O 3.23Å; Y515-V518 WeakPolarHBondContact CA-O 3.08Å; Y515-V518 WeakPolarHBondContact CB-O 3.33Å; N516-V518 PolarHBondContact N-O 2.98Å; N516-V518 PolarHBondContact OD1-N 3.15Å; V518-V535 HydrophobicContact CG2-CG1 4.03Å
519	L	98.6	Very high	97.5	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	143.3	178.1	-76	73.4	0	0	0	111	V513 F521 V535 V536 I539 M542 V581 A588	V513-L519 HydrophobicContact CG1-CB 4.37Å; V513-L519 HydrophobicContact CG1-CD2 4.37Å; V513-L519 HydrophobicContact CG1-CG 4.45Å; L519-F521 HydrophobicContact CB-CD2 4.46Å; L519-F521 HydrophobicContact CB-CE2 4.02Å; L519-F521 HydrophobicContact CD2-CE2 4.14Å; L519-F521 HydrophobicContact CD2-CZ 4.15Å; L519-V535 CarbonylContact O-C 3.5Å; L519-V535 WeakPolarHBondContact O-CA 3.48Å; L519-V536 PolarHBondContact N-O 3.44Å; L519-V536 PolarHBondContact O-N 3.18Å; L519-I539 HydrophobicContact CD1-CG2 4.12Å; L519-M542 HydrophobicContact CD1-CE 4.45Å; L519-M542 HydrophobicContact CD1-SD 3.87Å; L519-M542 HydrophobicContact CD2-CE 4.08Å; L519-M542 HydrophobicContact CD2-SD 3.64Å; L519-M542 HydrophobicContact CG-SD 4.35Å; L519-V581 HydrophobicContact CD1-CG2 4.05Å; L519-A588 HydrophobicContact CD2-CB 3.54Å
520	H	98.6	Very high	97.3	Very high	13 Å²	13	32.5 Å²	32.5	6%	0.06	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	107.5	174.9	-28.7	75.1	0	0	0	108.2	V513 T514 Y522 M533 F572	V513-H520 WeakPolarHBondContact CA-O 3.05Å; T514-H520 PolarHBondContact N-O 3.34Å; T514-H520 PolarHBondContact O-N 3.07Å; T514-H520 PolarHBondContact O-ND1 3.14Å; T514-H520 PolarHBondContact OG1-ND1 3.37Å; H520-Y522 WeakPolarHBondContact O-CE2 3.46Å; H520-M533 HydrophobicContact CB-CG 3.88Å; H520-M533 HydrophobicContact CB-SD 3.96Å; H520-F572 AromaticContact CE1-CE1 3.79Å; H520-F572 AromaticContact CE1-CZ 3.9Å; H520-F572 AromaticContact ND1-CZ 3.9Å; H520-F572 AromaticContact NE2-CE1 3.74Å
521	F	98.7	Very high	97.3	Very high	1 Å²	1	33.4 Å²	33.4	0%	0.004	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	152.1	174.8	-65.1	-103	0	0	0	109.7	V513 L519 M533 M534 V536 V544 P545 L546 F550 A588	V513-F521 HydrophobicContact CG2-CD1 3.83Å; V513-F521 HydrophobicContact CG2-CE1 4.11Å; V513-F521 HydrophobicContact CG2-CG 4.42Å; L519-F521 HydrophobicContact CB-CD2 4.46Å; L519-F521 HydrophobicContact CB-CE2 4.02Å; L519-F521 HydrophobicContact CD2-CE2 4.14Å; L519-F521 HydrophobicContact CD2-CZ 4.15Å; F521-M533 CarbonylContact O-C 3.56Å; F521-M533 WeakPolarHBondContact O-CA 3.32Å; F521-M534 PolarHBondContact N-O 2.86Å; F521-M534 PolarHBondContact O-N 2.91Å; F521-V536 HydrophobicContact CD2-CG2 3.85Å; F521-V536 HydrophobicContact CE2-CB 4.2Å; F521-V536 HydrophobicContact CE2-CG2 3.7Å; F521-V544 HydrophobicContact CD1-CG1 4.11Å; F521-V544 HydrophobicContact CE1-CB 4.3Å; F521-V544 HydrophobicContact CE1-CG1 3.81Å; F521-V544 HydrophobicContact CE1-CG2 4.14Å; F521-V544 HydrophobicContact CZ-CG2 4.39Å; F521-P545 HydrophobicContact CB-CG 3.92Å; F521-P545 VanDerWaalsContact CD2-CD 3.44Å; F521-P545 HydrophobicContact CD2-CG 3.64Å; F521-P545 HydrophobicContact CE2-CG 4.22Å; F521-P545 HydrophobicContact CG-CG 3.79Å; F521-L546 HydrophobicContact CB-CD2 4.07Å; F521-F550 HydrophobicContact CD1-CD2 4.31Å; F521-F550 AromaticContact CD1-CE2 3.86Å; F521-F550 HydrophobicContact CD1-CE2 3.86Å; F521-F550 HydrophobicContact CD1-CZ 4.02Å; F521-F550 HydrophobicContact CE1-CZ 4.38Å; F521-A588 HydrophobicContact CE1-CB 4.25Å; F521-A588 HydrophobicContact CZ-CB 3.76Å
522	Y	98.6	Very high	97.3	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	129.2	178.2	-59.6	-83.6	0	0	0	112.6	F512 T514 H520 Q532 M533 L564 I568 M571	F512-Y522 HydrophobicContact CB-CD2 4.29Å; F512-Y522 WeakPolarHBondContact O-CD2 3.34Å; F512-Y522 PolarHBondContact O-N 3.39Å; T514-Y522 HydrophobicContact CG2-CE2 3.83Å; T514-Y522 WeakPolarHBondContact OG1-CE2 3.32Å; T514-Y522 PolarHBondContact OG1-OH 2.58Å; H520-Y522 WeakPolarHBondContact O-CE2 3.46Å; Y522-Q532 CarbonylContact C-O 3.49Å; Y522-Q532 WeakPolarHBondContact CA-O 3.5Å; Y522-M533 HydrophobicContact CD1-CB 4.09Å; Y522-M533 HydrophobicContact CD1-CG 4.28Å; Y522-M533 HydrophobicContact CE1-CB 3.94Å; Y522-M533 HydrophobicContact CE1-CE 3.82Å; Y522-M533 HydrophobicContact CE1-CG 3.85Å; Y522-L564 HydrophobicContact CD1-CD1 3.33Å; Y522-L564 HydrophobicContact CD1-CD2 4.3Å; Y522-L564 HydrophobicContact CD1-CG 4.47Å; Y522-L564 HydrophobicContact CD2-CD1 4.15Å; Y522-L564 HydrophobicContact CD2-CD2 4.07Å; Y522-L564 HydrophobicContact CE1-CD1 3.52Å; Y522-L564 HydrophobicContact CE2-CD1 4.33Å; Y522-L564 HydrophobicContact CG-CD1 3.65Å; Y522-L564 HydrophobicContact CG-CD2 3.76Å; Y522-L564 HydrophobicContact CG-CG 4.37Å; Y522-I568 HydrophobicContact CE2-CD1 4.14Å; Y522-I568 HydrophobicContact CE2-CG1 4.5Å; Y522-M571 HydrophobicContact CE1-CE 4.15Å; Y522-M571 HydrophobicContact CE1-SD 4.06Å
523	N	98.4	Very high	97.2	Very high	21 Å²	21	41.6 Å²	41.6	11%	0.112	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	117.2	164.5	-171.5	-5.1	0	0	0	109	K525 L528 P531 Q532 L546 G549	N523-K525 WeakPolarHBondContact OD1-CB 3.47Å; N523-K525 PolarHBondContact OD1-N 2.68Å; N523-L528 HydrophobicContact CB-CD1 4.23Å; N523-P531 WeakPolarHBondContact O-CA 3.39Å; N523-Q532 HydrophobicContact CB-CB 3.98Å; N523-Q532 HydrophobicContact CB-CG 4.49Å; N523-Q532 PolarHBondContact N-O 2.87Å; N523-Q532 PolarHBondContact ND2-OE1 2.92Å; N523-Q532 PolarHBondContact O-N 2.84Å; N523-Q532 VanDerWaalsContact O-N 3.15Å; N523-L546 HydrophobicContact CB-CD1 3.61Å; N523-G549 WeakPolarHBondContact OD1-CA 3.44Å; N523-G549 PolarHBondContact OD1-O 2.68Å
524	V	98.1	Very high	97.2	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	25%	0.254	C	S	.	.			trans	-122.3	26.3	-179.8	-72.4	0	0	0	0	111.5	F512 S526 P531 G549 V552 S557 V560 I561 L564	F512-V524 HydrophobicContact CD2-CG2 4.35Å; V524-S526 PolarHBondContact O-N 3Å; V524-P531 HydrophobicContact CG1-CB 4.37Å; V524-G549 PolarHBondContact N-O 2.97Å; V524-V552 HydrophobicContact CB-CG2 4.48Å; V524-V552 HydrophobicContact CG2-CG1 4.16Å; V524-V552 HydrophobicContact CG2-CG2 3.61Å; V524-S557 WeakPolarHBondContact O-CB 3.42Å; V524-S557 PolarHBondContact O-OG 3.09Å; V524-V560 HydrophobicContact CB-CG1 4.43Å; V524-V560 HydrophobicContact CG1-CG1 4.46Å; V524-I561 HydrophobicContact CB-CG1 4.13Å; V524-I561 HydrophobicContact CG1-CG1 4.35Å; V524-I561 HydrophobicContact CG2-CG1 4.43Å; V524-L564 HydrophobicContact CG1-CB 4.5Å; V524-L564 HydrophobicContact CG1-CD2 3.62Å
525	K	97.3	Very high	97.2	Very high	87 Å²	87	48.9 Å²	48.9	38%	0.378	28%	0.278	S	S	.	.			trans	-56.5	131.6	177	-166.7	165.4	-177.8	173.9	0	111.4	N523 A527 L528 D548	N523-K525 WeakPolarHBondContact OD1-CB 3.47Å; N523-K525 PolarHBondContact OD1-N 2.68Å; K525-A527 PolarHBondContact O-N 3.07Å; K525-L528 HydrophobicContact CB-CD1 4.33Å; K525-L528 HydrophobicContact CB-CG 4.42Å; K525-L528 WeakPolarHBondContact O-CB 3.45Å; K525-L528 WeakPolarHBondContact O-CG 3.35Å; K525-L528 PolarHBondContact O-N 3.3Å; K525-D548 IonicContact NZ-OD2 3.36Å; K525-D548 PolarHBondContact NZ-OD2 3Å
526	S	95.6	Very high	97.1	Very high	68 Å²	68	49.1 Å²	49.1	48%	0.476	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-20.6	-172.4	53.7	0	0	0	0	116.1	V524 L528 D556 S557	V524-S526 PolarHBondContact O-N 3Å; S526-L528 VanDerWaalsContact C-N 3.28Å; S526-L528 PolarHBondContact O-N 3.21Å; S526-D556 WeakPolarHBondContact CB-O 3.14Å; S526-S557 PolarHBondContact N-OG 3.12Å; S526-S557 VanDerWaalsContact N-OG 3.16Å
527	A	95.9	Very high	97.1	Very high	94 Å²	94	53 Å²	53	78%	0.777	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.7	-2.8	175	0	0	0	0	0	114.5	K525	K525-A527 PolarHBondContact O-N 3.07Å
528	L	95.8	Very high	97	Very high	46 Å²	46	53 Å²	53	24%	0.241	31%	0.311	C	S	.	.			trans	-91.3	143.2	178.5	-62.2	175.6	0	0	0	111.7	N523 K525 S526 Q530 Q532 V560	N523-L528 HydrophobicContact CB-CD1 4.23Å; K525-L528 HydrophobicContact CB-CD1 4.33Å; K525-L528 HydrophobicContact CB-CG 4.42Å; K525-L528 WeakPolarHBondContact O-CB 3.45Å; K525-L528 WeakPolarHBondContact O-CG 3.35Å; K525-L528 PolarHBondContact O-N 3.3Å; S526-L528 VanDerWaalsContact C-N 3.28Å; S526-L528 PolarHBondContact O-N 3.21Å; L528-Q530 WeakPolarHBondContact CB-O 3.41Å; L528-Q532 HydrophobicContact CD1-CG 4.23Å; L528-V560 HydrophobicContact CB-CG1 4.33Å; L528-V560 WeakPolarHBondContact O-CG2 3.28Å
529	A	93	Very high	96.9	Very high	92 Å²	92	52.8 Å²	52.8	76%	0.76	31%	0.309	S	S	*	.	S	Bend	trans	-84.2	-22	169.3	0	0	0	0	0	113.1	N563	A529-N563 PolarHBondContact O-ND2 3.08Å
530	Q	94.8	Very high	96.5	Very high	136 Å²	136	56.2 Å²	56.2	64%	0.636	34%	0.338	S	S	*	.	S	Bend	trans	-141.5	143.8	179.3	-70.6	-177.9	-22.1	0	0	109.5	L528	L528-Q530 WeakPolarHBondContact CB-O 3.41Å
531	P	97.6	Very high	96.2	Very high	19 Å²	19	63.2 Å²	63.2	12%	0.123	37%	0.37	C	S	.	.			trans	-65.8	152.2	175.1	30.6	-37.2	0	0	0	111.3	N523 V524 V560 L564	N523-P531 WeakPolarHBondContact O-CA 3.39Å; V524-P531 HydrophobicContact CG1-CB 4.37Å; P531-V560 HydrophobicContact CB-CG1 4.23Å; P531-L564 HydrophobicContact CB-CB 4.08Å; P531-L564 HydrophobicContact CB-CD1 4.12Å; P531-L564 HydrophobicContact CG-CB 3.93Å; P531-L564 HydrophobicContact CG-CD1 4.07Å
532	Q	97.9	Very high	96	Very high	98 Å²	98	64.1 Å²	64.1	46%	0.458	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	127.3	174.7	-51.4	170.7	-33.6	0	0	109.6	Y522 N523 L528	Y522-Q532 CarbonylContact C-O 3.49Å; Y522-Q532 WeakPolarHBondContact CA-O 3.5Å; N523-Q532 HydrophobicContact CB-CB 3.98Å; N523-Q532 HydrophobicContact CB-CG 4.49Å; N523-Q532 PolarHBondContact N-O 2.87Å; N523-Q532 PolarHBondContact ND2-OE1 2.92Å; N523-Q532 PolarHBondContact O-N 2.84Å; N523-Q532 VanDerWaalsContact O-N 3.15Å; L528-Q532 HydrophobicContact CD1-CG 4.23Å
533	M	98.3	Very high	95.8	Very high	77 Å²	77	69.2 Å²	69.2	38%	0.379	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	136.1	174.7	-172.3	-165.5	-73.2	0	0	110.6	H520 F521 Y522 V535 M571 F572	H520-M533 HydrophobicContact CB-CG 3.88Å; H520-M533 HydrophobicContact CB-SD 3.96Å; F521-M533 CarbonylContact O-C 3.56Å; F521-M533 WeakPolarHBondContact O-CA 3.32Å; Y522-M533 HydrophobicContact CD1-CB 4.09Å; Y522-M533 HydrophobicContact CD1-CG 4.28Å; Y522-M533 HydrophobicContact CE1-CB 3.94Å; Y522-M533 HydrophobicContact CE1-CE 3.82Å; Y522-M533 HydrophobicContact CE1-CG 3.85Å; M533-V535 HydrophobicContact CG-CG2 4.22Å; M533-V535 HydrophobicContact SD-CG2 3.81Å; M533-M571 HydrophobicContact CE-CE 4.42Å; M533-M571 HydrophobicContact CE-SD 3.53Å; M533-M571 VanDerWaalsContact CE-SD 3.53Å; M533-F572 HydrophobicContact CE-CZ 4.11Å
534	M	98.1	Very high	95.6	Very high	70 Å²	70	69.6 Å²	69.6	35%	0.345	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	111.7	173	-59	-177	80.9	0	0	109	F521 P545 L546	F521-M534 PolarHBondContact N-O 2.86Å; F521-M534 PolarHBondContact O-N 2.91Å; M534-P545 HydrophobicContact CB-CB 4.26Å; M534-P545 HydrophobicContact CB-CG 3.84Å; M534-P545 HydrophobicContact CE-CB 3.99Å; M534-P545 HydrophobicContact SD-CB 4.37Å; M534-P545 HydrophobicContact SD-CG 4.4Å; M534-L546 HydrophobicContact SD-CB 3.96Å; M534-L546 HydrophobicContact SD-CD1 4.1Å; M534-L546 HydrophobicContact SD-CD2 4.06Å; M534-L546 HydrophobicContact SD-CG 4.25Å
535	V	98.1	Very high	95.5	Very high	84 Å²	84	71.3 Å²	71.3	51%	0.509	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	129.9	-176.1	-169.5	0	0	0	0	110	V518 L519 M533	V518-V535 HydrophobicContact CG2-CG1 4.03Å; L519-V535 CarbonylContact O-C 3.5Å; L519-V535 WeakPolarHBondContact O-CA 3.48Å; M533-V535 HydrophobicContact CG-CG2 4.22Å; M533-V535 HydrophobicContact SD-CG2 3.81Å
536	V	98.1	Very high	95.2	Very high	6 Å²	6	68.2 Å²	68.2	4%	0.036	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	109	173.3	-172.5	0	0	0	0	108.7	L519 F521 M542 F543 P545	L519-V536 PolarHBondContact N-O 3.44Å; L519-V536 PolarHBondContact O-N 3.18Å; F521-V536 HydrophobicContact CD2-CG2 3.85Å; F521-V536 HydrophobicContact CE2-CB 4.2Å; F521-V536 HydrophobicContact CE2-CG2 3.7Å; V536-M542 HydrophobicContact CB-CE 3.89Å; V536-M542 HydrophobicContact CG1-CE 3.4Å; V536-F543 HydrophobicContact CG1-CD1 4.1Å; V536-F543 HydrophobicContact CG1-CE1 3.57Å; V536-F543 HydrophobicContact CG1-CZ 3.86Å; V536-F543 HydrophobicContact CG2-CE2 4.39Å; V536-F543 HydrophobicContact CG2-CZ 4.23Å; V536-P545 HydrophobicContact CG2-CB 4.05Å; V536-P545 HydrophobicContact CG2-CG 3.77Å
537	S	94.9	Very high	94.8	Very high	92 Å²	92	70.7 Å²	70.7	64%	0.643	41%	0.406	S	S	*	.			trans	-94.3	-13.5	177.4	58.8	0	0	0	0	113.7	I539	S537-I539 PolarHBondContact O-N 2.81Å
538	D	94.3	Very high	94.6	Very high	77 Å²	77	71.1 Å²	71.1	41%	0.412	40%	0.395	S	S	.	.			trans	-79.2	104.3	167.6	-161.9	-31.1	0	0	0	109.1	A540 E541 M542	D538-A540 PolarHBondContact OD1-N 2.86Å; D538-E541 PolarHBondContact OD1-N 2.9Å; D538-M542 WeakPolarHBondContact O-CE 3.31Å
539	I	93.6	Very high	94.4	Very high	28 Å²	28	69.2 Å²	69.2	14%	0.144	39%	0.387	C	S	.	.			trans	-105.8	2.3	-179.6	53.3	171	0	0	0	111.8	L519 S537 V581 P584 A614 P615	L519-I539 HydrophobicContact CD1-CG2 4.12Å; S537-I539 PolarHBondContact O-N 2.81Å; I539-V581 HydrophobicContact CD1-CG1 3.9Å; I539-P584 HydrophobicContact CB-CB 4.43Å; I539-P584 HydrophobicContact CB-CG 4.34Å; I539-A614 HydrophobicContact CD1-CB 3.94Å; I539-P615 VanDerWaalsContact O-CD 3.26Å; I539-P615 WeakPolarHBondContact O-CD 3.24Å
540	A	91.3	Very high	94.6	Very high	72 Å²	72	65 Å²	65	60%	0.595	35%	0.351	S	S	*	.	S	Bend	trans	-90.7	-47.4	175.1	0	0	0	0	0	110.4	D538	D538-A540 PolarHBondContact OD1-N 2.86Å
541	E	92.1	Very high	94.8	Very high	160 Å²	160	59.6 Å²	59.6	75%	0.748	33%	0.326	S	S	*	.	S	Bend	trans	-110.8	72.8	175.2	-65.1	-169.1	-177.9	0	0	109.9	D538 F543	D538-E541 PolarHBondContact OD1-N 2.9Å; E541-F543 PolarHBondContact O-N 2.97Å
542	M	94.7	Very high	94.8	Very high	20 Å²	20	59.4 Å²	59.4	10%	0.099	33%	0.325	C	S	.	.			trans	-64.7	123.6	-170.9	-169.2	81.2	-92.5	0	0	112.8	L519 V536 D538 P584 Q587 A588	L519-M542 HydrophobicContact CD1-CE 4.45Å; L519-M542 HydrophobicContact CD1-SD 3.87Å; L519-M542 HydrophobicContact CD2-CE 4.08Å; L519-M542 HydrophobicContact CD2-SD 3.64Å; L519-M542 HydrophobicContact CG-SD 4.35Å; V536-M542 HydrophobicContact CB-CE 3.89Å; V536-M542 HydrophobicContact CG1-CE 3.4Å; D538-M542 WeakPolarHBondContact O-CE 3.31Å; M542-P584 HydrophobicContact CG-CB 4.41Å; M542-P584 WeakPolarHBondContact CG-O 3.33Å; M542-P584 HydrophobicContact SD-CB 3.79Å; M542-Q587 HydrophobicContact CB-CB 4.24Å; M542-Q587 HydrophobicContact CB-CG 4.04Å; M542-Q587 HydrophobicContact CG-CB 4.28Å; M542-Q587 HydrophobicContact CG-CG 4.47Å; M542-A588 HydrophobicContact CG-CB 3.93Å; M542-A588 HydrophobicContact SD-CB 4.26Å
543	F	93.9	Very high	94.8	Very high	106 Å²	106	56.7 Å²	56.7	47%	0.465	31%	0.314	S	S	.	.			trans	-130.6	165.8	176.6	70.9	-84.5	0	0	0	112	V536 E541 P545	V536-F543 HydrophobicContact CG1-CD1 4.1Å; V536-F543 HydrophobicContact CG1-CE1 3.57Å; V536-F543 HydrophobicContact CG1-CZ 3.86Å; V536-F543 HydrophobicContact CG2-CE2 4.39Å; V536-F543 HydrophobicContact CG2-CZ 4.23Å; E541-F543 PolarHBondContact O-N 2.97Å; F543-P545 HydrophobicContact CE2-CB 4.03Å
544	V	95.3	Very high	94.8	Very high	30 Å²	30	53.2 Å²	53.2	18%	0.182	30%	0.296	C	S	.	.			trans	-101.6	123.1	175.4	-173.9	0	0	0	0	109	F521 L546 F550 A588 E591 A592	F521-V544 HydrophobicContact CD1-CG1 4.11Å; F521-V544 HydrophobicContact CE1-CB 4.3Å; F521-V544 HydrophobicContact CE1-CG1 3.81Å; F521-V544 HydrophobicContact CE1-CG2 4.14Å; F521-V544 HydrophobicContact CZ-CG2 4.39Å; V544-L546 VanDerWaalsContact C-N 3.3Å; V544-L546 WeakPolarHBondContact CG1-O 3.49Å; V544-L546 PolarHBondContact O-N 3.42Å; V544-F550 HydrophobicContact CG1-CD1 4.41Å; V544-A588 WeakPolarHBondContact CG2-O 3.49Å; V544-E591 HydrophobicContact CG2-CB 3.96Å; V544-A592 HydrophobicContact CG2-CB 3.95Å
545	P	95.1	Very high	94.6	Very high	35 Å²	35	54 Å²	54	23%	0.227	30%	0.299	C	S	.	.	S	Bend	trans	-81.1	-5.9	-168	32.2	-36.2	0	0	0	114.5	F521 M534 V536 F543	F521-P545 HydrophobicContact CB-CG 3.92Å; F521-P545 VanDerWaalsContact CD2-CD 3.44Å; F521-P545 HydrophobicContact CD2-CG 3.64Å; F521-P545 HydrophobicContact CE2-CG 4.22Å; F521-P545 HydrophobicContact CG-CG 3.79Å; M534-P545 HydrophobicContact CB-CB 4.26Å; M534-P545 HydrophobicContact CB-CG 3.84Å; M534-P545 HydrophobicContact CE-CB 3.99Å; M534-P545 HydrophobicContact SD-CB 4.37Å; M534-P545 HydrophobicContact SD-CG 4.4Å; V536-P545 HydrophobicContact CG2-CB 4.05Å; V536-P545 HydrophobicContact CG2-CG 3.77Å; F543-P545 HydrophobicContact CE2-CB 4.03Å
546	L	91.2	Very high	94.6	Very high	23 Å²	23	55.6 Å²	55.6	12%	0.12	31%	0.305	C	S	.	.			trans	-149.1	143.5	176.2	74.3	172.7	0	0	0	111	F521 N523 M534 V544 F550	F521-L546 HydrophobicContact CB-CD2 4.07Å; N523-L546 HydrophobicContact CB-CD1 3.61Å; M534-L546 HydrophobicContact SD-CB 3.96Å; M534-L546 HydrophobicContact SD-CD1 4.1Å; M534-L546 HydrophobicContact SD-CD2 4.06Å; M534-L546 HydrophobicContact SD-CG 4.25Å; V544-L546 VanDerWaalsContact C-N 3.3Å; V544-L546 WeakPolarHBondContact CG1-O 3.49Å; V544-L546 PolarHBondContact O-N 3.42Å; L546-F550 HydrophobicContact CD1-CB 4.17Å; L546-F550 HydrophobicContact CD2-CB 3.92Å; L546-F550 HydrophobicContact CD2-CG 4.39Å; L546-F550 HydrophobicContact CG-CB 3.81Å
547	L	87.6	Confident	94.6	Very high	119 Å²	119	55.4 Å²	55.4	62%	0.623	30%	0.304	S	S	*	.	S	Bend	trans	-96.1	-53	171.2	-173.7	157.5	0	0	0	109.7
548	D	90.9	Very high	94.7	Very high	104 Å²	104	54.9 Å²	54.9	56%	0.556	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83	123.4	-176.1	-137	47	0	0	0	110.8	K525	K525-D548 IonicContact NZ-OD2 3.36Å; K525-D548 PolarHBondContact NZ-OD2 3Å
549	G	92	Very high	94.9	Very high	6 Å²	6	55 Å²	55	6%	0.062	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	94.5	-4.9	177.8	0	0	0	0	0	116.7	N523 V524	N523-G549 WeakPolarHBondContact OD1-CA 3.44Å; N523-G549 PolarHBondContact OD1-O 2.68Å; V524-G549 PolarHBondContact N-O 2.97Å
550	F	97.9	Very high	95.1	Very high	4 Å²	4	54 Å²	54	2%	0.018	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-52.7	169.8	177.1	-121.5	0	0	0	112.2	I468 V510 G511 F512 V513 F521 V544 L546 A592	I468-F550 HydrophobicContact CD1-CE1 3.85Å; I468-F550 HydrophobicContact CD1-CZ 4.15Å; I468-F550 HydrophobicContact CG1-CE1 4.33Å; I468-F550 HydrophobicContact CG1-CZ 4.36Å; I468-F550 HydrophobicContact CG2-CZ 3.81Å; V510-F550 VanDerWaalsContact O-O 3.12Å; G511-F550 VanDerWaalsContact CA-O 3.28Å; G511-F550 WeakPolarHBondContact CA-O 3.42Å; F512-F550 WeakPolarHBondContact O-CE2 3.43Å; V513-F550 HydrophobicContact CG2-CE2 3.71Å; V513-F550 HydrophobicContact CG2-CZ 3.69Å; F521-F550 HydrophobicContact CD1-CD2 4.31Å; F521-F550 AromaticContact CD1-CE2 3.86Å; F521-F550 HydrophobicContact CD1-CE2 3.86Å; F521-F550 HydrophobicContact CD1-CZ 4.02Å; F521-F550 HydrophobicContact CE1-CZ 4.38Å; V544-F550 HydrophobicContact CG1-CD1 4.41Å; L546-F550 HydrophobicContact CD1-CB 4.17Å; L546-F550 HydrophobicContact CD2-CB 3.92Å; L546-F550 HydrophobicContact CD2-CG 4.39Å; L546-F550 HydrophobicContact CG-CB 3.81Å; F550-A592 HydrophobicContact CD1-CB 4.24Å; F550-A592 HydrophobicContact CE1-CB 3.67Å
551	L	98.1	Very high	95.4	Very high	21 Å²	21	50.5 Å²	50.5	11%	0.11	27%	0.266	C	S	.	.	S	Bend	trans	-97.8	103.7	175.5	-59.2	-175.8	0	0	0	110	A466 I468 K509 V510 F593 A596	A466-L551 HydrophobicContact CB-CD1 3.88Å; A466-L551 HydrophobicContact CB-CD2 4.23Å; I468-L551 HydrophobicContact CD1-CD2 4.18Å; I468-L551 HydrophobicContact CG1-CD2 3.84Å; K509-L551 HydrophobicContact CB-CB 4.16Å; K509-L551 HydrophobicContact CD-CB 4.21Å; V510-L551 WeakPolarHBondContact O-CA 3.12Å; L551-F593 HydrophobicContact CD1-CD1 4.44Å; L551-A596 HydrophobicContact CD1-CB 3.75Å
552	V	98.1	Very high	95.7	Very high	15 Å²	15	46 Å²	46	9%	0.091	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	159.9	-173.5	-61.8	0	0	0	0	111.8	K509 V510 V524 I561	K509-V552 CarbonylContact C-O 3.37Å; K509-V552 WeakPolarHBondContact CA-O 3.5Å; K509-V552 WeakPolarHBondContact CB-O 3.08Å; V510-V552 HydrophobicContact CG2-CG2 4.21Å; V510-V552 PolarHBondContact N-O 2.86Å; V510-V552 PolarHBondContact O-N 2.66Å; V524-V552 HydrophobicContact CB-CG2 4.48Å; V524-V552 HydrophobicContact CG2-CG1 4.16Å; V524-V552 HydrophobicContact CG2-CG2 3.61Å; V552-I561 HydrophobicContact CG2-CD1 4.04Å
553	N	97.6	Very high	95.9	Very high	42 Å²	42	47.4 Å²	47.4	23%	0.225	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	133.1	164.1	-170.4	-69.9	0	0	0	108.8	S506 Q555 D556 S557	S506-N553 PolarHBondContact O-ND2 2.72Å; N553-Q555 VanDerWaalsContact C-N 3.34Å; N553-Q555 PolarHBondContact O-N 2.65Å; N553-Q555 PolarHBondContact OD1-N 3.41Å; N553-D556 HydrophobicContact CB-CB 4.29Å; N553-D556 WeakPolarHBondContact CB-OD2 3.34Å; N553-S557 PolarHBondContact O-N 2.99Å
554	Y	97.1	Very high	96.1	Very high	4 Å²	4	42.3 Å²	42.3	2%	0.016	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-38.4	-178.2	165.1	-106.4	0	0	0	113.2	K491 L494 E495 L497 R558 I561	K491-Y554 PolarHBondContact O-OH 3.36Å; L494-Y554 HydrophobicContact CB-CD1 4.06Å; L494-Y554 HydrophobicContact CB-CD2 3.55Å; L494-Y554 HydrophobicContact CB-CE1 3.93Å; L494-Y554 HydrophobicContact CB-CE2 3.4Å; L494-Y554 VanDerWaalsContact CB-CE2 3.4Å; L494-Y554 HydrophobicContact CB-CG 3.88Å; L494-Y554 HydrophobicContact CD1-CD2 3.78Å; L494-Y554 HydrophobicContact CD1-CE2 3.82Å; L494-Y554 HydrophobicContact CG-CD2 4.28Å; L494-Y554 HydrophobicContact CG-CE2 4.27Å; L494-Y554 WeakPolarHBondContact O-CD1 3.16Å; E495-Y554 HydrophobicContact CG-CE1 4.18Å; E495-Y554 WeakPolarHBondContact OE2-CE1 3.33Å; L497-Y554 HydrophobicContact CD1-CG 4.42Å; Y554-R558 HydrophobicContact CE2-CG 4.43Å; Y554-R558 VanDerWaalsContact O-CA 3.24Å; Y554-R558 WeakPolarHBondContact O-CA 3.24Å; Y554-R558 WeakPolarHBondContact O-CB 3.43Å; Y554-R558 PolarHBondContact O-N 2.82Å; Y554-I561 HydrophobicContact CD2-CD1 3.9Å; Y554-I561 HydrophobicContact CD2-CG2 4.4Å; Y554-I561 HydrophobicContact CE2-CG2 4.37Å
555	Q	95.6	Very high	96.3	Very high	85 Å²	85	40.9 Å²	40.9	40%	0.397	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-44.6	-177	-64	-63.5	-14.6	0	0	111.3	E495 N553 S557 R558	E495-Q555 PolarHBondContact OE2-NE2 2.91Å; N553-Q555 VanDerWaalsContact C-N 3.34Å; N553-Q555 PolarHBondContact O-N 2.65Å; N553-Q555 PolarHBondContact OD1-N 3.41Å; Q555-S557 VanDerWaalsContact C-N 3.31Å; Q555-S557 PolarHBondContact O-N 2.8Å; Q555-R558 WeakPolarHBondContact O-CB 3.42Å; Q555-R558 PolarHBondContact O-N 2.92Å
556	D	96.9	Very high	96.4	Very high	118 Å²	118	43.3 Å²	43.3	63%	0.631	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-41.4	176.2	-62.3	-23.3	0	0	0	112.1	S526 N553	S526-D556 WeakPolarHBondContact CB-O 3.14Å; N553-D556 HydrophobicContact CB-CB 4.29Å; N553-D556 WeakPolarHBondContact CB-OD2 3.34Å
557	S	98	Very high	96.8	Very high	2 Å²	2	45.4 Å²	45.4	1%	0.014	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.8	5.8	-174.7	-79.8	0	0	0	0	114.5	V524 S526 N553 Q555 A559 V560 I561	V524-S557 WeakPolarHBondContact O-CB 3.42Å; V524-S557 PolarHBondContact O-OG 3.09Å; S526-S557 PolarHBondContact N-OG 3.12Å; S526-S557 VanDerWaalsContact N-OG 3.16Å; N553-S557 PolarHBondContact O-N 2.99Å; Q555-S557 VanDerWaalsContact C-N 3.31Å; Q555-S557 PolarHBondContact O-N 2.8Å; S557-A559 VanDerWaalsContact C-N 3.34Å; S557-A559 PolarHBondContact O-N 2.87Å; S557-A559 VanDerWaalsContact O-N 3.14Å; S557-V560 PolarHBondContact O-N 2.67Å; S557-I561 WeakPolarHBondContact O-CG1 3.47Å; S557-I561 PolarHBondContact O-N 2.87Å
558	R	97.6	Very high	97.3	Very high	82 Å²	82	39.8 Å²	39.8	31%	0.309	21%	0.21	S	C	.	.	H	α-helix	trans	-47.9	-49.6	-167.7	-176.1	-173.4	-178.9	138.4	11.4	113.9	E495 Y554 Q555 V560 I561 Y562	E495-R558 IonicContact OE1-CZ 2.77Å; E495-R558 IonicContact OE1-NH1 2.8Å; E495-R558 PolarHBondContact OE1-NH1 3.3Å; E495-R558 IonicContact OE1-NH2 2.84Å; E495-R558 PolarHBondContact OE1-NH2 2.65Å; E495-R558 IonicContact OE2-NH1 2.6Å; E495-R558 PolarHBondContact OE2-NH1 2.81Å; Y554-R558 HydrophobicContact CE2-CG 4.43Å; Y554-R558 VanDerWaalsContact O-CA 3.24Å; Y554-R558 WeakPolarHBondContact O-CA 3.24Å; Y554-R558 WeakPolarHBondContact O-CB 3.43Å; Y554-R558 PolarHBondContact O-N 2.82Å; Q555-R558 WeakPolarHBondContact O-CB 3.42Å; Q555-R558 PolarHBondContact O-N 2.92Å; R558-V560 VanDerWaalsContact C-N 3.32Å; R558-V560 PolarHBondContact O-N 3.04Å; R558-I561 PolarHBondContact O-N 3.42Å; R558-Y562 HydrophobicContact CG-CD2 3.84Å; R558-Y562 HydrophobicContact CG-CE2 3.71Å; R558-Y562 PolarHBondContact NH2-OH 3Å; R558-Y562 VanDerWaalsContact O-CD2 3.29Å; R558-Y562 WeakPolarHBondContact O-CD2 3.42Å; R558-Y562 PolarHBondContact O-N 3.35Å
559	A	97.8	Very high	97.7	Very high	80 Å²	80	35.5 Å²	35.5	66%	0.661	19%	0.188	S	C	*	.	H	α-helix	trans	-62.7	-37.3	-177.7	0	0	0	0	0	112.7	S557 N563	S557-A559 VanDerWaalsContact C-N 3.34Å; S557-A559 PolarHBondContact O-N 2.87Å; S557-A559 VanDerWaalsContact O-N 3.14Å; A559-N563 WeakPolarHBondContact O-CB 3.45Å; A559-N563 PolarHBondContact O-N 2.77Å; A559-N563 VanDerWaalsContact O-N 3.12Å
560	V	98.3	Very high	98	Very high	5 Å²	5	41 Å²	41	3%	0.03	22%	0.216	C	C	.	.	H	α-helix	trans	-72.6	-37.8	178.2	-160.5	0	0	0	0	110.8	V524 L528 P531 S557 R558 N563 L564	V524-V560 HydrophobicContact CB-CG1 4.43Å; V524-V560 HydrophobicContact CG1-CG1 4.46Å; L528-V560 HydrophobicContact CB-CG1 4.33Å; L528-V560 WeakPolarHBondContact O-CG2 3.28Å; P531-V560 HydrophobicContact CB-CG1 4.23Å; S557-V560 PolarHBondContact O-N 2.67Å; R558-V560 VanDerWaalsContact C-N 3.32Å; R558-V560 PolarHBondContact O-N 3.04Å; V560-N563 PolarHBondContact O-N 3.28Å; V560-L564 WeakPolarHBondContact O-CB 3.5Å; V560-L564 PolarHBondContact O-N 3.28Å
561	I	98.6	Very high	98	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-67.6	-43.4	177.1	-66.3	169.8	0	0	0	111	L494 V510 F512 V524 V552 Y554 S557 R558 L564 L565	L494-I561 HydrophobicContact CD1-CG2 4.14Å; V510-I561 HydrophobicContact CG2-CD1 3.82Å; F512-I561 HydrophobicContact CE1-CG2 4.44Å; F512-I561 HydrophobicContact CE2-CB 4.46Å; F512-I561 HydrophobicContact CE2-CD1 4.04Å; F512-I561 HydrophobicContact CE2-CG1 3.89Å; F512-I561 HydrophobicContact CE2-CG2 3.81Å; F512-I561 HydrophobicContact CZ-CG1 4.49Å; F512-I561 HydrophobicContact CZ-CG2 3.58Å; V524-I561 HydrophobicContact CB-CG1 4.13Å; V524-I561 HydrophobicContact CG1-CG1 4.35Å; V524-I561 HydrophobicContact CG2-CG1 4.43Å; V552-I561 HydrophobicContact CG2-CD1 4.04Å; Y554-I561 HydrophobicContact CD2-CD1 3.9Å; Y554-I561 HydrophobicContact CD2-CG2 4.4Å; Y554-I561 HydrophobicContact CE2-CG2 4.37Å; S557-I561 WeakPolarHBondContact O-CG1 3.47Å; S557-I561 PolarHBondContact O-N 2.87Å; R558-I561 PolarHBondContact O-N 3.42Å; I561-L564 WeakPolarHBondContact O-CB 3.44Å; I561-L564 PolarHBondContact O-N 2.83Å; I561-L565 HydrophobicContact CG2-CD1 3.85Å; I561-L565 HydrophobicContact CG2-CG 4.41Å; I561-L565 VanDerWaalsContact O-CG 3.29Å; I561-L565 WeakPolarHBondContact O-CG 3.25Å; I561-L565 PolarHBondContact O-N 2.83Å
562	Y	98.2	Very high	98	Very high	66 Å²	66	44.1 Å²	44.1	26%	0.259	23%	0.23	S	C	.	.	H	α-helix	trans	-58.8	-51	172.8	-90.9	-118	0	0	0	110.9	K491 R558 L564 L565 D566	K491-Y562 HydrophobicContact CB-CD1 4.39Å; K491-Y562 HydrophobicContact CB-CE1 4.03Å; K491-Y562 HydrophobicContact CB-CE2 4.43Å; K491-Y562 HydrophobicContact CG-CD1 4.28Å; K491-Y562 HydrophobicContact CG-CE1 4.42Å; K491-Y562 HydrophobicContact CG-CG 4.47Å; K491-Y562 PolarHBondContact O-OH 2.99Å; R558-Y562 HydrophobicContact CG-CD2 3.84Å; R558-Y562 HydrophobicContact CG-CE2 3.71Å; R558-Y562 PolarHBondContact NH2-OH 3Å; R558-Y562 VanDerWaalsContact O-CD2 3.29Å; R558-Y562 WeakPolarHBondContact O-CD2 3.42Å; R558-Y562 PolarHBondContact O-N 3.35Å; Y562-L564 PolarHBondContact O-N 2.87Å; Y562-L565 CarbonylContact O-C 3.53Å; Y562-L565 PolarHBondContact O-N 2.81Å; Y562-D566 PolarHBondContact O-N 3.07Å
563	N	98.2	Very high	98	Very high	48 Å²	48	45.8 Å²	45.8	26%	0.257	25%	0.246	S	C	.	.	H	α-helix	trans	-57.6	-36.4	178.5	-165.8	-0.3	0	0	0	112.2	A529 A559 V560 Q567	A529-N563 PolarHBondContact O-ND2 3.08Å; A559-N563 WeakPolarHBondContact O-CB 3.45Å; A559-N563 PolarHBondContact O-N 2.77Å; A559-N563 VanDerWaalsContact O-N 3.12Å; V560-N563 PolarHBondContact O-N 3.28Å; N563-Q567 VanDerWaalsContact O-CG 3.29Å; N563-Q567 WeakPolarHBondContact O-CG 3.5Å; N563-Q567 PolarHBondContact O-N 3.41Å; N563-Q567 PolarHBondContact OD1-NE2 2.78Å
564	L	98.8	Very high	97.9	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-65.7	-49	171.6	177.3	60.6	0	0	0	112.7	F512 Y522 V524 P531 V560 I561 Y562 D566 Q567 I568 M571	F512-L564 HydrophobicContact CB-CD2 3.9Å; F512-L564 HydrophobicContact CD2-CD2 4.19Å; F512-L564 HydrophobicContact CG-CD2 4.07Å; Y522-L564 HydrophobicContact CD1-CD1 3.33Å; Y522-L564 HydrophobicContact CD1-CD2 4.3Å; Y522-L564 HydrophobicContact CD1-CG 4.47Å; Y522-L564 HydrophobicContact CD2-CD1 4.15Å; Y522-L564 HydrophobicContact CD2-CD2 4.07Å; Y522-L564 HydrophobicContact CE1-CD1 3.52Å; Y522-L564 HydrophobicContact CE2-CD1 4.33Å; Y522-L564 HydrophobicContact CG-CD1 3.65Å; Y522-L564 HydrophobicContact CG-CD2 3.76Å; Y522-L564 HydrophobicContact CG-CG 4.37Å; V524-L564 HydrophobicContact CG1-CB 4.5Å; V524-L564 HydrophobicContact CG1-CD2 3.62Å; P531-L564 HydrophobicContact CB-CB 4.08Å; P531-L564 HydrophobicContact CB-CD1 4.12Å; P531-L564 HydrophobicContact CG-CB 3.93Å; P531-L564 HydrophobicContact CG-CD1 4.07Å; V560-L564 WeakPolarHBondContact O-CB 3.5Å; V560-L564 PolarHBondContact O-N 3.28Å; I561-L564 WeakPolarHBondContact O-CB 3.44Å; I561-L564 PolarHBondContact O-N 2.83Å; Y562-L564 PolarHBondContact O-N 2.87Å; L564-D566 VanDerWaalsContact C-N 3.27Å; L564-D566 PolarHBondContact O-N 3.36Å; L564-Q567 PolarHBondContact O-N 2.92Å; L564-Q567 VanDerWaalsContact O-N 3.16Å; L564-I568 HydrophobicContact CD1-CD1 3.74Å; L564-I568 HydrophobicContact CD1-CG1 3.8Å; L564-I568 HydrophobicContact CD2-CD1 4.33Å; L564-I568 HydrophobicContact CG-CD1 3.72Å; L564-I568 HydrophobicContact CG-CG1 4.22Å; L564-I568 WeakPolarHBondContact O-CG1 3.49Å; L564-I568 PolarHBondContact O-N 3.14Å; L564-M571 HydrophobicContact CD1-CE 4.34Å
565	L	98.7	Very high	97.9	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-72.3	-18.4	-178.5	-64.1	172	0	0	0	112.9	C487 L490 K491 F512 I561 Y562	C487-L565 HydrophobicContact CB-CB 4.25Å; C487-L565 HydrophobicContact CB-CD2 4.17Å; C487-L565 WeakPolarHBondContact CB-O 3.27Å; L490-L565 HydrophobicContact CB-CD1 3.88Å; L490-L565 HydrophobicContact CB-CD2 4.4Å; L490-L565 HydrophobicContact CD1-CD2 4.31Å; K491-L565 HydrophobicContact CD-CB 4.32Å; K491-L565 VanDerWaalsContact CE-O 3.23Å; K491-L565 WeakPolarHBondContact CE-O 3.41Å; K491-L565 HydrophobicContact CG-CB 3.93Å; K491-L565 HydrophobicContact CG-CD1 3.9Å; K491-L565 PolarHBondContact NZ-O 3.4Å; K491-L565 VanDerWaalsContact NZ-O 3.08Å; F512-L565 HydrophobicContact CD1-CD2 4.35Å; F512-L565 HydrophobicContact CE1-CD2 4.26Å; I561-L565 HydrophobicContact CG2-CD1 3.85Å; I561-L565 HydrophobicContact CG2-CG 4.41Å; I561-L565 VanDerWaalsContact O-CG 3.29Å; I561-L565 WeakPolarHBondContact O-CG 3.25Å; I561-L565 PolarHBondContact O-N 2.83Å; Y562-L565 CarbonylContact O-C 3.53Å; Y562-L565 PolarHBondContact O-N 2.81Å
566	D	98.4	Very high	97.9	Very high	86 Å²	86	54.4 Å²	54.4	46%	0.46	30%	0.296	S	S	.	.	H	α-helix	trans	-74.7	-42.1	166.5	-72	-40.2	0	0	0	111.2	K491 Y562 L564	K491-D566 WeakPolarHBondContact CE-OD1 3.13Å; K491-D566 IonicContact NZ-OD1 3.7Å; K491-D566 PolarHBondContact NZ-OD1 2.73Å; Y562-D566 PolarHBondContact O-N 3.07Å; L564-D566 VanDerWaalsContact C-N 3.27Å; L564-D566 PolarHBondContact O-N 3.36Å
567	Q	98.5	Very high	97.9	Very high	66 Å²	66	51.7 Å²	51.7	31%	0.308	28%	0.279	S	S	.	.	H	α-helix	trans	-80.8	-32.9	-176.1	-68.2	177.5	43.4	0	0	115.2	N563 L564 D570 M571	N563-Q567 VanDerWaalsContact O-CG 3.29Å; N563-Q567 WeakPolarHBondContact O-CG 3.5Å; N563-Q567 PolarHBondContact O-N 3.41Å; N563-Q567 PolarHBondContact OD1-NE2 2.78Å; L564-Q567 PolarHBondContact O-N 2.92Å; L564-Q567 VanDerWaalsContact O-N 3.16Å; Q567-D570 PolarHBondContact O-N 3.27Å; Q567-M571 HydrophobicContact CB-CE 3.74Å; Q567-M571 HydrophobicContact CB-CG 4.4Å; Q567-M571 WeakPolarHBondContact O-CG 3.26Å; Q567-M571 PolarHBondContact O-N 3.01Å
568	I	98.7	Very high	97.7	Very high	2 Å²	2	55.4 Å²	55.4	1%	0.01	31%	0.305	C	S	.	.	H	α-helix	trans	-51	-46	-173.9	-80.5	168	0	0	0	113.7	V483 T514 Y522 L564 D570 M571 F572	V483-I568 HydrophobicContact CG1-CG2 3.77Å; T514-I568 HydrophobicContact CG2-CD1 3.92Å; T514-I568 HydrophobicContact CG2-CG1 4.17Å; T514-I568 HydrophobicContact CG2-CG2 3.87Å; Y522-I568 HydrophobicContact CE2-CD1 4.14Å; Y522-I568 HydrophobicContact CE2-CG1 4.5Å; L564-I568 HydrophobicContact CD1-CD1 3.74Å; L564-I568 HydrophobicContact CD1-CG1 3.8Å; L564-I568 HydrophobicContact CD2-CD1 4.33Å; L564-I568 HydrophobicContact CG-CD1 3.72Å; L564-I568 HydrophobicContact CG-CG1 4.22Å; L564-I568 WeakPolarHBondContact O-CG1 3.49Å; L564-I568 PolarHBondContact O-N 3.14Å; I568-D570 VanDerWaalsContact C-N 3.29Å; I568-D570 PolarHBondContact O-N 3.32Å; I568-M571 HydrophobicContact CG1-SD 4.32Å; I568-M571 PolarHBondContact O-N 3.15Å; I568-F572 WeakPolarHBondContact O-CD2 3.38Å
569	P	98.5	Very high	97.6	Very high	13 Å²	13	55.1 Å²	55.1	8%	0.084	31%	0.307	C	S	.	.	H	α-helix	trans	-60.9	-37.2	178.8	-25.5	36.7	0	0	0	113.3	K484 C487 A573	K484-P569 HydrophobicContact CB-CB 4.13Å; K484-P569 HydrophobicContact CB-CG 4.14Å; K484-P569 HydrophobicContact CG-CB 4.47Å; K484-P569 HydrophobicContact CG-CG 4.32Å; C487-P569 HydrophobicContact CB-CG 4.17Å; P569-A573 PolarHBondContact O-N 2.98Å
570	D	98.2	Very high	97.6	Very high	122 Å²	122	51.3 Å²	51.3	65%	0.652	28%	0.276	S	S	*	.	H	α-helix	trans	-80.2	-34	-178.1	-64.9	-11.5	0	0	0	111.6	Q567 I568 F572 A573	Q567-D570 PolarHBondContact O-N 3.27Å; I568-D570 VanDerWaalsContact C-N 3.29Å; I568-D570 PolarHBondContact O-N 3.32Å; D570-F572 PolarHBondContact O-N 2.81Å; D570-F572 VanDerWaalsContact O-N 3.15Å; D570-A573 PolarHBondContact O-N 2.78Å
571	M	98.1	Very high	97.6	Very high	70 Å²	70	51.2 Å²	51.2	35%	0.345	28%	0.275	S	S	.	.	H	α-helix	trans	-54.2	-32.4	174.6	-74.5	177.1	-175.6	0	0	113.2	Y522 M533 L564 Q567 I568	Y522-M571 HydrophobicContact CE1-CE 4.15Å; Y522-M571 HydrophobicContact CE1-SD 4.06Å; M533-M571 HydrophobicContact CE-CE 4.42Å; M533-M571 HydrophobicContact CE-SD 3.53Å; M533-M571 VanDerWaalsContact CE-SD 3.53Å; L564-M571 HydrophobicContact CD1-CE 4.34Å; Q567-M571 HydrophobicContact CB-CE 3.74Å; Q567-M571 HydrophobicContact CB-CG 4.4Å; Q567-M571 WeakPolarHBondContact O-CG 3.26Å; Q567-M571 PolarHBondContact O-N 3.01Å; I568-M571 HydrophobicContact CG1-SD 4.32Å; I568-M571 PolarHBondContact O-N 3.15Å
572	F	98.3	Very high	97.6	Very high	20 Å²	20	51.3 Å²	51.3	9%	0.088	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-118.4	10.5	-174	-60.3	-74.2	0	0	0	113.4	V473 I478 T514 H520 M533 I568 D570 D574 T575	V473-F572 HydrophobicContact CB-CB 4.21Å; V473-F572 HydrophobicContact CB-CD1 4.35Å; V473-F572 HydrophobicContact CB-CD2 3.9Å; V473-F572 HydrophobicContact CB-CE2 4.36Å; V473-F572 HydrophobicContact CB-CG 3.9Å; V473-F572 HydrophobicContact CG1-CD2 3.88Å; V473-F572 HydrophobicContact CG1-CE2 4.22Å; V473-F572 HydrophobicContact CG1-CG 4.38Å; V473-F572 HydrophobicContact CG2-CD1 3.87Å; V473-F572 HydrophobicContact CG2-CD2 3.91Å; V473-F572 HydrophobicContact CG2-CE1 3.89Å; V473-F572 HydrophobicContact CG2-CE2 3.93Å; V473-F572 HydrophobicContact CG2-CG 3.88Å; V473-F572 HydrophobicContact CG2-CZ 3.92Å; I478-F572 HydrophobicContact CD1-CB 3.77Å; I478-F572 HydrophobicContact CG1-CB 4.23Å; T514-F572 HydrophobicContact CG2-CE2 4.11Å; T514-F572 WeakPolarHBondContact OG1-CE2 3.26Å; T514-F572 WeakPolarHBondContact OG1-CZ 3.45Å; H520-F572 AromaticContact CE1-CE1 3.79Å; H520-F572 AromaticContact CE1-CZ 3.9Å; H520-F572 AromaticContact ND1-CZ 3.9Å; H520-F572 AromaticContact NE2-CE1 3.74Å; M533-F572 HydrophobicContact CE-CZ 4.11Å; I568-F572 WeakPolarHBondContact O-CD2 3.38Å; D570-F572 PolarHBondContact O-N 2.81Å; D570-F572 VanDerWaalsContact O-N 3.15Å; F572-D574 VanDerWaalsContact C-N 3.32Å; F572-D574 PolarHBondContact O-N 3.29Å; F572-T575 WeakPolarHBondContact O-CB 3.47Å; F572-T575 VanDerWaalsContact O-CG2 3.24Å; F572-T575 WeakPolarHBondContact O-CG2 3.43Å; F572-T575 PolarHBondContact O-N 2.74Å
573	A	97.6	Very high	97.6	Very high	51 Å²	51	48.3 Å²	48.3	42%	0.421	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-42.1	-175	0	0	0	0	0	113.5	P569 D570 T575	P569-A573 PolarHBondContact O-N 2.98Å; D570-A573 PolarHBondContact O-N 2.78Å; A573-T575 VanDerWaalsContact C-N 3.33Å; A573-T575 PolarHBondContact O-N 2.88Å
574	D	96.8	Very high	97.6	Very high	153 Å²	153	46.2 Å²	46.2	82%	0.818	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.1	20.7	178.1	-66.6	-52.3	0	0	0	113.5	F572 N576	F572-D574 VanDerWaalsContact C-N 3.32Å; F572-D574 PolarHBondContact O-N 3.29Å; D574-N576 PolarHBondContact O-N 2.85Å; D574-N576 PolarHBondContact O-ND2 3.1Å
575	T	96.4	Very high	97.6	Very high	19 Å²	19	46.2 Å²	46.2	12%	0.117	25%	0.254	C	S	.	.			trans	-62.6	135.1	179	-167.9	0	0	0	0	111.7	Y475 I478 F572 A573 E577	Y475-T575 WeakPolarHBondContact CD2-O 3.45Å; I478-T575 HydrophobicContact CB-CG2 4.12Å; I478-T575 HydrophobicContact CG1-CG2 3.72Å; F572-T575 WeakPolarHBondContact O-CB 3.47Å; F572-T575 VanDerWaalsContact O-CG2 3.24Å; F572-T575 WeakPolarHBondContact O-CG2 3.43Å; F572-T575 PolarHBondContact O-N 2.74Å; A573-T575 VanDerWaalsContact C-N 3.33Å; A573-T575 PolarHBondContact O-N 2.88Å; T575-E577 PolarHBondContact OG1-N 2.65Å
576	N	95.4	Very high	97.6	Very high	140 Å²	140	46.2 Å²	46.2	75%	0.749	25%	0.254	S	S	*	.			trans	-113.7	8.6	173.5	-74.7	-94.7	0	0	0	111.8	D574 S578	D574-N576 PolarHBondContact O-N 2.85Å; D574-N576 PolarHBondContact O-ND2 3.1Å; N576-S578 PolarHBondContact O-N 2.83Å
577	E	96.8	Very high	97.6	Very high	61 Å²	61	44.4 Å²	44.4	29%	0.285	24%	0.242	S	C	.	.			trans	-76.7	116.9	179.4	-65.3	-64.3	171.3	0	0	110.9	S474 Y475 N516 K517 T575	S474-E577 WeakPolarHBondContact CA-O 3.27Å; S474-E577 WeakPolarHBondContact CB-O 3.39Å; Y475-E577 PolarHBondContact N-O 2.83Å; N516-E577 HydrophobicContact CB-CB 4.21Å; K517-E577 VanDerWaalsContact CE-CD 3.49Å; K517-E577 VanDerWaalsContact CE-OE1 3.29Å; K517-E577 WeakPolarHBondContact CE-OE1 3.32Å; K517-E577 VanDerWaalsContact CE-OE2 3.26Å; K517-E577 WeakPolarHBondContact CE-OE2 3.01Å; K517-E577 IonicContact NZ-OE1 3.9Å; K517-E577 PolarHBondContact NZ-OE1 2.85Å; K517-E577 IonicContact NZ-OE2 3.21Å; K517-E577 PolarHBondContact NZ-OE2 3.07Å; T575-E577 PolarHBondContact OG1-N 2.65Å
578	S	94	Very high	97.6	Very high	79 Å²	79	41.3 Å²	41.3	55%	0.552	23%	0.228	S	C	*	.			trans	-103.8	-19.3	180	55.9	0	0	0	0	114.1	N576	N576-S578 PolarHBondContact O-N 2.83Å
579	E	95.9	Very high	97.6	Very high	77 Å²	77	41.2 Å²	41.2	36%	0.36	23%	0.228	S	C	.	.			trans	-93.8	143.3	177.9	-57.4	-153.3	108	0	0	111.7	K517 T611 A612	K517-E579 PolarHBondContact N-O 2.76Å; E579-T611 WeakPolarHBondContact CG-OG1 3.43Å; E579-T611 VanDerWaalsContact OE1-CB 3.29Å; E579-T611 WeakPolarHBondContact OE1-CB 3.23Å; E579-T611 PolarHBondContact OE1-OG1 2.88Å; E579-A612 HydrophobicContact CB-CB 4.07Å
580	T	98	Very high	97.6	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	23%	0.225	C	C	.	.			trans	-126.2	158.2	179.5	57.8	0	0	0	0	112.5	N516 H606 P610 T611 A612	N516-T580 CarbonylContact O-C 3.5Å; N516-T580 VanDerWaalsContact O-CA 3.3Å; N516-T580 WeakPolarHBondContact O-CA 3.33Å; T580-H606 PolarHBondContact OG1-CE1 3.32Å; T580-H606 PolarHBondContact OG1-NE2 2.92Å; T580-H606 VanDerWaalsContact OG1-NE2 3.12Å; T580-P610 CarbonylContact O-C 3.59Å; T580-P610 VanDerWaalsContact O-CA 3.23Å; T580-P610 WeakPolarHBondContact O-CA 3.31Å; T580-P610 WeakPolarHBondContact O-CB 3.45Å; T580-T611 PolarHBondContact O-N 3.3Å; T580-A612 WeakPolarHBondContact O-CB 3.42Å; T580-A612 PolarHBondContact O-N 3.22Å
581	V	98.3	Very high	97.6	Very high	2 Å²	2	37.1 Å²	37.1	1%	0.012	20%	0.204	C	C	.	.			trans	-105.4	159.1	163.5	-65	0	0	0	0	110.9	Y515 N516 L519 I539 P584 V585 H606 A612 A614	Y515-V581 WeakPolarHBondContact CE2-O 3.26Å; N516-V581 PolarHBondContact O-N 2.75Å; L519-V581 HydrophobicContact CD1-CG2 4.05Å; I539-V581 HydrophobicContact CD1-CG1 3.9Å; V581-P584 HydrophobicContact CB-CG 4.26Å; V581-V585 HydrophobicContact CG2-CG2 4.06Å; V581-H606 PolarHBondContact O-CE1 3.34Å; V581-A612 HydrophobicContact CG1-CB 3.83Å; V581-A614 HydrophobicContact CB-CB 4.37Å; V581-A614 HydrophobicContact CG1-CB 3.55Å
582	F	98.2	Very high	97.6	Very high	2 Å²	2	34 Å²	34	1%	0.009	19%	0.189	C	C	.	.			trans	-136.6	-55.1	-178.9	-176.2	-118.8	0	0	0	113.9	V585 I586 I604 H606 P610 Y643 L659 M672	F582-V585 VanDerWaalsContact O-CB 3.29Å; F582-V585 WeakPolarHBondContact O-CB 3.43Å; F582-V585 PolarHBondContact O-N 3.37Å; F582-I586 HydrophobicContact CE1-CD1 3.93Å; F582-I586 HydrophobicContact CE2-CD1 4.27Å; F582-I586 HydrophobicContact CZ-CD1 3.78Å; F582-I586 PolarHBondContact O-N 3.27Å; F582-I604 HydrophobicContact CE2-CD1 4.41Å; F582-I604 HydrophobicContact CE2-CG2 4.2Å; F582-H606 AromaticContact CD2-ND1 3.94Å; F582-P610 HydrophobicContact CB-CB 3.76Å; F582-P610 HydrophobicContact CB-CG 3.72Å; F582-Y643 AromaticContact CD1-CE1 3.77Å; F582-Y643 HydrophobicContact CD1-CE1 3.77Å; F582-Y643 HydrophobicContact CE1-CE1 4.05Å; F582-L659 HydrophobicContact CE2-CD1 3.54Å; F582-L659 HydrophobicContact CE2-CD2 4.4Å; F582-L659 HydrophobicContact CZ-CD1 3.79Å; F582-L659 HydrophobicContact CZ-CD2 3.81Å; F582-L659 HydrophobicContact CZ-CG 4.45Å; F582-M672 HydrophobicContact CD1-CE 4Å; F582-M672 HydrophobicContact CD1-CG 4.28Å; F582-M672 HydrophobicContact CD2-CE 4Å; F582-M672 HydrophobicContact CE1-CB 4Å; F582-M672 HydrophobicContact CE1-CE 4.17Å; F582-M672 HydrophobicContact CE1-CG 4.25Å; F582-M672 HydrophobicContact CE2-CE 4.16Å; F582-M672 HydrophobicContact CG-CE 3.94Å; F582-M672 HydrophobicContact CZ-CE 4.25Å
583	A	97.8	Very high	97.6	Very high	4 Å²	4	33 Å²	33	3%	0.033	19%	0.185	C	C	.	.	H	α-helix	trans	-59.4	-40.1	177.8	0	0	0	0	0	114.1	V585 I586 Q587 V642 Y643 L646	A583-V585 VanDerWaalsContact C-N 3.26Å; A583-V585 PolarHBondContact O-N 3.1Å; A583-I586 PolarHBondContact O-N 3.09Å; A583-Q587 PolarHBondContact O-N 3.13Å; A583-V642 HydrophobicContact CB-CG1 3.77Å; A583-Y643 HydrophobicContact CB-CE1 4.1Å; A583-L646 HydrophobicContact CB-CD2 3.88Å
584	P	98.4	Very high	97.5	Very high	4 Å²	4	35.6 Å²	35.6	3%	0.026	19%	0.187	C	C	.	.	H	α-helix	trans	-62.1	-30	173	-24	35.3	0	0	0	113.7	I539 M542 V581 Q587 A588 A614	I539-P584 HydrophobicContact CB-CB 4.43Å; I539-P584 HydrophobicContact CB-CG 4.34Å; M542-P584 HydrophobicContact CG-CB 4.41Å; M542-P584 WeakPolarHBondContact CG-O 3.33Å; M542-P584 HydrophobicContact SD-CB 3.79Å; V581-P584 HydrophobicContact CB-CG 4.26Å; P584-Q587 PolarHBondContact O-N 2.79Å; P584-A588 WeakPolarHBondContact O-CB 3.18Å; P584-A588 PolarHBondContact O-N 3.25Å; P584-A614 HydrophobicContact CG-CB 4.3Å
585	V	98.7	Very high	97.5	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-65	-44.4	178.1	-175.5	0	0	0	0	110.5	M470 Y515 V581 F582 A583 G589	M470-V585 HydrophobicContact CB-CG1 4Å; M470-V585 WeakPolarHBondContact CE-O 3.04Å; M470-V585 HydrophobicContact CG-CG1 4.21Å; M470-V585 HydrophobicContact SD-CG1 3.65Å; Y515-V585 HydrophobicContact CD1-CG1 3.83Å; Y515-V585 HydrophobicContact CD1-CG2 4.13Å; Y515-V585 HydrophobicContact CD2-CG2 3.51Å; Y515-V585 HydrophobicContact CE1-CG1 3.73Å; Y515-V585 HydrophobicContact CE1-CG2 4.33Å; Y515-V585 HydrophobicContact CE2-CG2 3.73Å; Y515-V585 HydrophobicContact CG-CG1 4.29Å; Y515-V585 HydrophobicContact CG-CG2 3.73Å; V581-V585 HydrophobicContact CG2-CG2 4.06Å; F582-V585 VanDerWaalsContact O-CB 3.29Å; F582-V585 WeakPolarHBondContact O-CB 3.43Å; F582-V585 PolarHBondContact O-N 3.37Å; A583-V585 VanDerWaalsContact C-N 3.26Å; A583-V585 PolarHBondContact O-N 3.1Å; V585-G589 PolarHBondContact O-N 2.66Å
586	I	98.6	Very high	97.5	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-67.6	-43.2	174.3	-59.2	167.3	0	0	0	110.5	F582 A583 A588 G589 V590 L602 I604 L646 C650 V657 V675	F582-I586 HydrophobicContact CE1-CD1 3.93Å; F582-I586 HydrophobicContact CE2-CD1 4.27Å; F582-I586 HydrophobicContact CZ-CD1 3.78Å; F582-I586 PolarHBondContact O-N 3.27Å; A583-I586 PolarHBondContact O-N 3.09Å; I586-A588 VanDerWaalsContact C-N 3.31Å; I586-A588 PolarHBondContact O-N 3.05Å; I586-G589 WeakPolarHBondContact O-CA 3.42Å; I586-G589 PolarHBondContact O-N 3.39Å; I586-V590 PolarHBondContact O-N 2.96Å; I586-L602 HydrophobicContact CB-CD1 4.39Å; I586-L602 HydrophobicContact CG2-CD1 4.06Å; I586-I604 HydrophobicContact CD1-CD1 4.41Å; I586-I604 HydrophobicContact CG1-CD1 3.55Å; I586-L646 HydrophobicContact CB-CD1 4.08Å; I586-L646 HydrophobicContact CB-CD2 3.96Å; I586-L646 HydrophobicContact CB-CG 4.31Å; I586-L646 HydrophobicContact CD1-CD2 4Å; I586-L646 HydrophobicContact CG2-CD1 3.7Å; I586-L646 HydrophobicContact CG2-CD2 4.11Å; I586-L646 HydrophobicContact CG2-CG 3.93Å; I586-C650 VanDerWaalsContact CG2-SG 3.51Å; I586-V657 HydrophobicContact CD1-CG1 4.32Å; I586-V657 HydrophobicContact CG1-CG1 4.28Å; I586-V657 HydrophobicContact CG2-CG2 3.93Å; I586-V675 HydrophobicContact CD1-CB 4.28Å; I586-V675 HydrophobicContact CD1-CG1 4.35Å; I586-V675 HydrophobicContact CD1-CG2 4.43Å; I586-V675 HydrophobicContact CG2-CG1 4.29Å
587	Q	98.4	Very high	97.5	Very high	47 Å²	47	30.7 Å²	30.7	22%	0.22	17%	0.168	C	C	.	.	H	α-helix	trans	-57.9	-42.3	179	-169.4	67.6	39.7	0	0	112	M542 A583 P584 G589 V590 E591 L646	M542-Q587 HydrophobicContact CB-CB 4.24Å; M542-Q587 HydrophobicContact CB-CG 4.04Å; M542-Q587 HydrophobicContact CG-CB 4.28Å; M542-Q587 HydrophobicContact CG-CG 4.47Å; A583-Q587 PolarHBondContact O-N 3.13Å; P584-Q587 PolarHBondContact O-N 2.79Å; Q587-G589 PolarHBondContact O-N 3.18Å; Q587-V590 PolarHBondContact O-N 2.85Å; Q587-V590 VanDerWaalsContact O-N 3.17Å; Q587-E591 HydrophobicContact CG-CG 4.47Å; Q587-E591 PolarHBondContact NE2-OE1 3.35Å; Q587-E591 WeakPolarHBondContact O-CG 3.24Å; Q587-E591 PolarHBondContact O-N 3.23Å; Q587-L646 HydrophobicContact CB-CD1 4.39Å
588	A	98.4	Very high	97.5	Very high	1 Å²	1	28.3 Å²	28.3	1%	0.008	16%	0.158	C	C	.	.	H	α-helix	trans	-57.9	-35.2	173.8	0	0	0	0	0	112.8	L519 F521 M542 V544 P584 I586 A592	L519-A588 HydrophobicContact CD2-CB 3.54Å; F521-A588 HydrophobicContact CE1-CB 4.25Å; F521-A588 HydrophobicContact CZ-CB 3.76Å; M542-A588 HydrophobicContact CG-CB 3.93Å; M542-A588 HydrophobicContact SD-CB 4.26Å; V544-A588 WeakPolarHBondContact CG2-O 3.49Å; P584-A588 WeakPolarHBondContact O-CB 3.18Å; P584-A588 PolarHBondContact O-N 3.25Å; I586-A588 VanDerWaalsContact C-N 3.31Å; I586-A588 PolarHBondContact O-N 3.05Å; A588-A592 VanDerWaalsContact O-CB 3.3Å; A588-A592 WeakPolarHBondContact O-CB 3.39Å; A588-A592 PolarHBondContact O-N 3.34Å
589	G	98.2	Very high	97.7	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-68.7	-44.4	173.6	0	0	0	0	0	113.3	V585 I586 Q587 A592 F593	V585-G589 PolarHBondContact O-N 2.66Å; I586-G589 WeakPolarHBondContact O-CA 3.42Å; I586-G589 PolarHBondContact O-N 3.39Å; Q587-G589 PolarHBondContact O-N 3.18Å; G589-A592 PolarHBondContact O-N 3.05Å; G589-F593 VanDerWaalsContact O-CD2 3.24Å; G589-F593 WeakPolarHBondContact O-CD2 3.42Å; G589-F593 WeakPolarHBondContact O-CG 3.46Å; G589-F593 PolarHBondContact O-N 3.38Å
590	V	98.3	Very high	97.8	Very high	4 Å²	4	21.3 Å²	21.3	2%	0.024	12%	0.117	C	C	.	.	H	α-helix	trans	-59.3	-50.1	175.2	177.9	0	0	0	0	110.8	I586 Q587 A592 F593 K594 D649 C650 Q653 C655	I586-V590 PolarHBondContact O-N 2.96Å; Q587-V590 PolarHBondContact O-N 2.85Å; Q587-V590 VanDerWaalsContact O-N 3.17Å; V590-A592 VanDerWaalsContact C-N 3.3Å; V590-A592 PolarHBondContact O-N 3.22Å; V590-F593 PolarHBondContact O-N 2.89Å; V590-K594 WeakPolarHBondContact O-CB 3.21Å; V590-K594 PolarHBondContact O-N 2.84Å; V590-D649 HydrophobicContact CG1-CB 4.38Å; V590-C650 HydrophobicContact CG2-CB 4.35Å; V590-C650 WeakPolarHBondContact CG2-SG 3.39Å; V590-Q653 HydrophobicContact CG1-CB 4.22Å; V590-C655 HydrophobicContact CG2-CB 4.17Å
591	E	98.1	Very high	97.9	Very high	45 Å²	45	21.5 Å²	21.5	21%	0.21	12%	0.118	C	C	.	.	H	α-helix	trans	-65.2	-32	179.1	-65.6	-56.2	139.3	0	0	112.4	V544 Q587 K594 A595	V544-E591 HydrophobicContact CG2-CB 3.96Å; Q587-E591 HydrophobicContact CG-CG 4.47Å; Q587-E591 PolarHBondContact NE2-OE1 3.35Å; Q587-E591 WeakPolarHBondContact O-CG 3.24Å; Q587-E591 PolarHBondContact O-N 3.23Å; E591-K594 IonicContact OE1-NZ 2.72Å; E591-K594 PolarHBondContact OE1-NZ 2.82Å; E591-K594 WeakPolarHBondContact OE2-CD 3.43Å; E591-K594 WeakPolarHBondContact OE2-CE 3.18Å; E591-K594 IonicContact OE2-NZ 2.86Å; E591-K594 PolarHBondContact OE2-NZ 3.47Å; E591-A595 VanDerWaalsContact O-CB 3.26Å; E591-A595 WeakPolarHBondContact O-CB 3.49Å; E591-A595 PolarHBondContact O-N 2.98Å
592	A	98.1	Very high	97.9	Very high	5 Å²	5	21.4 Å²	21.4	4%	0.041	12%	0.117	C	C	.	.	H	α-helix	trans	-67.3	-47.8	174.8	0	0	0	0	0	112.8	I468 V544 F550 A588 G589 V590 K594 A595 A596	I468-A592 HydrophobicContact CD1-CB 3.81Å; V544-A592 HydrophobicContact CG2-CB 3.95Å; F550-A592 HydrophobicContact CD1-CB 4.24Å; F550-A592 HydrophobicContact CE1-CB 3.67Å; A588-A592 VanDerWaalsContact O-CB 3.3Å; A588-A592 WeakPolarHBondContact O-CB 3.39Å; A588-A592 PolarHBondContact O-N 3.34Å; G589-A592 PolarHBondContact O-N 3.05Å; V590-A592 VanDerWaalsContact C-N 3.3Å; V590-A592 PolarHBondContact O-N 3.22Å; A592-K594 VanDerWaalsContact C-N 3.3Å; A592-K594 PolarHBondContact O-N 2.83Å; A592-A595 PolarHBondContact O-N 3.38Å; A592-A596 WeakPolarHBondContact O-CB 3.39Å; A592-A596 PolarHBondContact O-N 3.39Å
593	F	98.1	Very high	97.9	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-65.4	-36.5	177.7	-63.7	-38	0	0	0	111.7	A466 I468 L551 G589 V590 A596 E597 C598 L602 Q653 C655	A466-F593 HydrophobicContact CB-CD1 4.23Å; A466-F593 HydrophobicContact CB-CE1 3.84Å; A466-F593 VanDerWaalsContact O-CE1 3.27Å; A466-F593 WeakPolarHBondContact O-CE1 3.34Å; A466-F593 WeakPolarHBondContact O-CZ 3.13Å; I468-F593 HydrophobicContact CD1-CD1 4.06Å; I468-F593 HydrophobicContact CD1-CE1 3.45Å; I468-F593 VanDerWaalsContact CD1-CE1 3.45Å; I468-F593 HydrophobicContact CD1-CE2 4.31Å; I468-F593 HydrophobicContact CD1-CZ 3.6Å; I468-F593 HydrophobicContact CG1-CE1 3.67Å; I468-F593 HydrophobicContact CG1-CZ 3.78Å; L551-F593 HydrophobicContact CD1-CD1 4.44Å; G589-F593 VanDerWaalsContact O-CD2 3.24Å; G589-F593 WeakPolarHBondContact O-CD2 3.42Å; G589-F593 WeakPolarHBondContact O-CG 3.46Å; G589-F593 PolarHBondContact O-N 3.38Å; V590-F593 PolarHBondContact O-N 2.89Å; F593-A596 CarbonylContact O-C 3.32Å; F593-A596 PolarHBondContact O-N 3.05Å; F593-E597 PolarHBondContact O-N 3.04Å; F593-C598 PolarHBondContact O-N 3.02Å; F593-L602 HydrophobicContact CD2-CD2 4.47Å; F593-L602 HydrophobicContact CE2-CD2 3.44Å; F593-L602 VanDerWaalsContact CE2-CD2 3.44Å; F593-L602 HydrophobicContact CE2-CG 4.14Å; F593-L602 HydrophobicContact CZ-CD2 3.63Å; F593-Q653 HydrophobicContact CB-CG 4.01Å; F593-Q653 PolarHBondContact O-NE2 3.12Å; F593-C655 HydrophobicContact CD2-CB 3.8Å; F593-C655 HydrophobicContact CE2-CB 4.22Å
594	K	97	Very high	98	Very high	105 Å²	105	21.1 Å²	21.1	46%	0.457	12%	0.115	S	C	.	.	H	α-helix	trans	-62.9	-47.4	173.1	-179.4	175.1	161.2	-151.7	0	112.4	V590 E591 A592 A596 E597 Q653	V590-K594 WeakPolarHBondContact O-CB 3.21Å; V590-K594 PolarHBondContact O-N 2.84Å; E591-K594 IonicContact OE1-NZ 2.72Å; E591-K594 PolarHBondContact OE1-NZ 2.82Å; E591-K594 WeakPolarHBondContact OE2-CD 3.43Å; E591-K594 WeakPolarHBondContact OE2-CE 3.18Å; E591-K594 IonicContact OE2-NZ 2.86Å; E591-K594 PolarHBondContact OE2-NZ 3.47Å; A592-K594 VanDerWaalsContact C-N 3.3Å; A592-K594 PolarHBondContact O-N 2.83Å; K594-A596 VanDerWaalsContact C-N 3.25Å; K594-A596 PolarHBondContact O-N 3.4Å; K594-E597 PolarHBondContact O-N 3.29Å; K594-Q653 VanDerWaalsContact CA-CD 3.5Å; K594-Q653 HydrophobicContact CB-CG 4.28Å
595	A	96.7	Very high	98	Very high	53 Å²	53	21 Å²	21	44%	0.438	11%	0.114	S	C	.	.	H	α-helix	trans	-65.3	-26.3	175.7	0	0	0	0	0	113.4	E591 A592	E591-A595 VanDerWaalsContact O-CB 3.26Å; E591-A595 WeakPolarHBondContact O-CB 3.49Å; E591-A595 PolarHBondContact O-N 2.98Å; A592-A595 PolarHBondContact O-N 3.38Å
596	A	96.1	Very high	98	Very high	34 Å²	34	21 Å²	21	28%	0.281	11%	0.114	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91	4.8	176.9	0	0	0	0	0	114.6	L551 A592 F593 K594 C598	L551-A596 HydrophobicContact CD1-CB 3.75Å; A592-A596 WeakPolarHBondContact O-CB 3.39Å; A592-A596 PolarHBondContact O-N 3.39Å; F593-A596 CarbonylContact O-C 3.32Å; F593-A596 PolarHBondContact O-N 3.05Å; K594-A596 VanDerWaalsContact C-N 3.25Å; K594-A596 PolarHBondContact O-N 3.4Å; A596-C598 PolarHBondContact O-N 2.96Å
597	E	96	Very high	97.9	Very high	121 Å²	121	21 Å²	21	57%	0.565	12%	0.115	S	C	*	.	T	Hydrogen-bonded Turn	trans	47.2	36.2	-171.3	-63.5	-161.1	158.7	0	0	113.4	K460 N463 F593 K594	K460-E597 IonicContact NZ-OE1 3.82Å; K460-E597 IonicContact NZ-OE2 2.7Å; K460-E597 PolarHBondContact NZ-OE2 3.33Å; N463-E597 PolarHBondContact ND2-O 2.92Å; F593-E597 PolarHBondContact O-N 3.04Å; K594-E597 PolarHBondContact O-N 3.29Å
598	C	96.9	Very high	97.7	Very high	11 Å²	11	20 Å²	20	7%	0.074	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	168.3	-175.5	79	0	0	0	0	113.5	N463 F593 A596 Q653	N463-C598 HydrophobicContact CB-CB 3.95Å; F593-C598 PolarHBondContact O-N 3.02Å; A596-C598 PolarHBondContact O-N 2.96Å; C598-Q653 PolarHBondContact O-NE2 2.77Å
599	S	98.1	Very high	97.6	Very high	9 Å²	9	21.1 Å²	21.1	6%	0.063	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	175.1	163.9	50.1	0	0	0	0	109.6	P465 A466 G654 F712	P465-S599 WeakPolarHBondContact CA-O 3.26Å; A466-S599 PolarHBondContact N-O 3.46Å; A466-S599 VanDerWaalsContact N-O 3.08Å; S599-G654 WeakPolarHBondContact CB-O 3.44Å; S599-F712 WeakPolarHBondContact OG-CB 3.48Å
600	G	98.3	Very high	97.6	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	177.5	179.9	178.4	0	0	0	0	0	116.1	A466 G654 C656 F712	A466-G600 CarbonylContact O-C 3.07Å; A466-G600 WeakPolarHBondContact O-CA 3.48Å; G600-G654 PolarHBondContact N-O 2.83Å; G600-C656 PolarHBondContact O-N 2.88Å; G600-F712 VanDerWaalsContact C-CE1 3.45Å; G600-F712 WeakPolarHBondContact O-CE1 3.31Å
601	K	98.8	Very high	97.5	Very high	4 Å²	4	23.1 Å²	23.1	2%	0.017	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	130.1	-179.2	-168.9	174.1	-176.5	-174.6	0	111.2	A466 Y467 I468 F603 C656 D658 D705 L710 F712	A466-K601 PolarHBondContact O-N 3.21Å; Y467-K601 WeakPolarHBondContact CA-O 3.39Å; Y467-K601 HydrophobicContact CD1-CB 3.88Å; Y467-K601 HydrophobicContact CE1-CB 4.05Å; I468-K601 PolarHBondContact N-O 3Å; K601-F603 HydrophobicContact CB-CE2 4.1Å; K601-F603 HydrophobicContact CD-CE2 3.79Å; K601-F603 HydrophobicContact CD-CZ 3.8Å; K601-F603 HydrophobicContact CG-CD2 4.3Å; K601-F603 HydrophobicContact CG-CE2 3.87Å; K601-F603 HydrophobicContact CG-CZ 4.39Å; K601-C656 CarbonylContact C-O 3.37Å; K601-C656 WeakPolarHBondContact CA-O 3.43Å; K601-C656 HydrophobicContact CB-CB 4.47Å; K601-C656 HydrophobicContact CG-CB 4.24Å; K601-D658 WeakPolarHBondContact CE-OD1 3.26Å; K601-D658 WeakPolarHBondContact CE-OD2 3.31Å; K601-D658 IonicContact NZ-OD1 2.92Å; K601-D658 PolarHBondContact NZ-OD1 2.69Å; K601-D658 IonicContact NZ-OD2 2.69Å; K601-D658 PolarHBondContact NZ-OD2 3.34Å; K601-D705 IonicContact NZ-OD1 3.48Å; K601-D705 PolarHBondContact NZ-OD1 3.09Å; K601-D705 IonicContact NZ-OD2 3.41Å; K601-D705 PolarHBondContact NZ-OD2 3.49Å; K601-L710 HydrophobicContact CD-CD1 4.44Å; K601-F712 HydrophobicContact CB-CE1 4.05Å; K601-F712 HydrophobicContact CB-CZ 4.11Å
602	L	98.9	Very high	97.5	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	131.1	170.1	-50.2	-174.1	0	0	0	109.3	I468 M470 I586 F593 I604 C656 V657 D658	I468-L602 HydrophobicContact CB-CD2 3.89Å; I468-L602 HydrophobicContact CD1-CD2 3.97Å; I468-L602 HydrophobicContact CG1-CD2 4.31Å; M470-L602 HydrophobicContact CE-CD1 4.17Å; M470-L602 HydrophobicContact CE-CD2 3.85Å; M470-L602 HydrophobicContact SD-CB 4.16Å; M470-L602 HydrophobicContact SD-CD1 3.94Å; M470-L602 HydrophobicContact SD-CD2 4.1Å; M470-L602 HydrophobicContact SD-CG 4.29Å; I586-L602 HydrophobicContact CB-CD1 4.39Å; I586-L602 HydrophobicContact CG2-CD1 4.06Å; F593-L602 HydrophobicContact CD2-CD2 4.47Å; F593-L602 HydrophobicContact CE2-CD2 3.44Å; F593-L602 VanDerWaalsContact CE2-CD2 3.44Å; F593-L602 HydrophobicContact CE2-CG 4.14Å; F593-L602 HydrophobicContact CZ-CD2 3.63Å; L602-I604 HydrophobicContact CB-CD1 4.25Å; L602-I604 HydrophobicContact CB-CG1 3.95Å; L602-I604 HydrophobicContact CD1-CD1 4.28Å; L602-C656 PolarHBondContact N-O 2.88Å; L602-V657 HydrophobicContact CB-CG1 4.43Å; L602-V657 HydrophobicContact CD1-CG2 4.08Å; L602-V657 HydrophobicContact CG-CG2 4.45Å; L602-D658 PolarHBondContact O-N 2.8Å
603	F	98.9	Very high	97.4	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	93.1	171	-71	-103.1	0	0	0	107.3	Y467 I468 F469 M470 K601 F605 F660 L702 D705 L706	Y467-F603 HydrophobicContact CD1-CE2 4.21Å; Y467-F603 AromaticContact CD2-CE2 3.52Å; Y467-F603 HydrophobicContact CD2-CE2 3.52Å; Y467-F603 AromaticContact CD2-CZ 3.92Å; Y467-F603 HydrophobicContact CD2-CZ 3.92Å; Y467-F603 AromaticContact CE2-CE2 3.99Å; Y467-F603 HydrophobicContact CE2-CE2 3.99Å; Y467-F603 AromaticContact CE2-CZ 3.99Å; Y467-F603 HydrophobicContact CE2-CZ 3.99Å; Y467-F603 HydrophobicContact CG-CD2 4.46Å; Y467-F603 AromaticContact CG-CE2 3.64Å; Y467-F603 HydrophobicContact CG-CE2 3.64Å; Y467-F603 HydrophobicContact CG-CZ 4.46Å; I468-F603 PolarHBondContact O-N 2.94Å; F469-F603 HydrophobicContact CD1-CB 3.63Å; F469-F603 HydrophobicContact CD1-CD2 4.25Å; F469-F603 AromaticContact CD1-CG 3.93Å; F469-F603 HydrophobicContact CD1-CG 3.93Å; F469-F603 HydrophobicContact CE1-CB 3.96Å; F469-F603 HydrophobicContact CE1-CD1 4.09Å; F469-F603 AromaticContact CE1-CD2 3.83Å; F469-F603 HydrophobicContact CE1-CD2 3.83Å; F469-F603 HydrophobicContact CE1-CE2 4.34Å; F469-F603 AromaticContact CE1-CG 3.7Å; F469-F603 HydrophobicContact CE1-CG 3.7Å; F469-F603 HydrophobicContact CG-CB 4.48Å; F469-F603 HydrophobicContact CZ-CD2 4.26Å; F469-F603 HydrophobicContact CZ-CE2 4.49Å; M470-F603 PolarHBondContact N-O 2.83Å; K601-F603 HydrophobicContact CB-CE2 4.1Å; K601-F603 HydrophobicContact CD-CE2 3.79Å; K601-F603 HydrophobicContact CD-CZ 3.8Å; K601-F603 HydrophobicContact CG-CD2 4.3Å; K601-F603 HydrophobicContact CG-CE2 3.87Å; K601-F603 HydrophobicContact CG-CZ 4.39Å; F603-F605 HydrophobicContact CB-CE2 4.23Å; F603-F605 HydrophobicContact CB-CZ 4.3Å; F603-F605 WeakPolarHBondContact O-CE2 3.47Å; F603-F660 HydrophobicContact CD1-CE2 4.09Å; F603-L702 HydrophobicContact CD1-CD1 4.04Å; F603-L702 HydrophobicContact CE1-CD1 4.44Å; F603-D705 WeakPolarHBondContact CE1-OD2 2.96Å; F603-L706 HydrophobicContact CE1-CB 4.22Å; F603-L706 HydrophobicContact CZ-CB 4.34Å; F603-L706 HydrophobicContact CZ-CD1 4.45Å
604	I	98.9	Very high	97.3	Very high	0 Å²	0	29 Å²	29	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	121.2	-174.2	-48.9	-172.8	0	0	0	109.9	M470 Y515 F582 I586 L602 V657 D658 L659 F660	M470-I604 HydrophobicContact CB-CB 4.46Å; M470-I604 HydrophobicContact CB-CG1 4.13Å; M470-I604 HydrophobicContact CB-CG2 4.4Å; M470-I604 WeakPolarHBondContact O-CA 3.18Å; M470-I604 HydrophobicContact SD-CD1 4.09Å; M470-I604 HydrophobicContact SD-CG1 3.96Å; Y515-I604 HydrophobicContact CE1-CG2 4.4Å; Y515-I604 VanDerWaalsContact OH-CG2 3.32Å; Y515-I604 WeakPolarHBondContact OH-CG2 3.31Å; F582-I604 HydrophobicContact CE2-CD1 4.41Å; F582-I604 HydrophobicContact CE2-CG2 4.2Å; I586-I604 HydrophobicContact CD1-CD1 4.41Å; I586-I604 HydrophobicContact CG1-CD1 3.55Å; L602-I604 HydrophobicContact CB-CD1 4.25Å; L602-I604 HydrophobicContact CB-CG1 3.95Å; L602-I604 HydrophobicContact CD1-CD1 4.28Å; I604-V657 HydrophobicContact CD1-CG1 3.67Å; I604-V657 HydrophobicContact CG1-CG1 4.27Å; I604-D658 PolarHBondContact N-O 3.29Å; I604-L659 HydrophobicContact CB-CD1 3.94Å; I604-L659 HydrophobicContact CG2-CD1 3.98Å; I604-F660 PolarHBondContact O-N 3.17Å
605	F	98.8	Very high	97.3	Very high	1 Å²	1	26.5 Å²	26.5	0%	0.004	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	126.3	171.8	-48.1	-87.5	0	0	0	108	F469 M470 I471 D472 V486 Y515 F603 F660 F662 F698 L702	F469-F605 HydrophobicContact CD1-CE2 4.37Å; M470-F605 PolarHBondContact O-N 3.42Å; I471-F605 HydrophobicContact CG1-CD2 3.94Å; I471-F605 HydrophobicContact CG1-CE2 4.42Å; D472-F605 WeakPolarHBondContact CB-O 3.37Å; D472-F605 PolarHBondContact N-O 3.01Å; V486-F605 HydrophobicContact CG1-CD2 4.14Å; V486-F605 HydrophobicContact CG1-CE1 4.41Å; V486-F605 HydrophobicContact CG1-CE2 3.91Å; V486-F605 HydrophobicContact CG1-CG 4.49Å; V486-F605 HydrophobicContact CG1-CZ 4.05Å; V486-F605 HydrophobicContact CG2-CD1 4.08Å; V486-F605 HydrophobicContact CG2-CE1 4.34Å; V486-F605 HydrophobicContact CG2-CG 4.32Å; Y515-F605 PolarHBondContact OH-O 3.3Å; F603-F605 HydrophobicContact CB-CE2 4.23Å; F603-F605 HydrophobicContact CB-CZ 4.3Å; F603-F605 WeakPolarHBondContact O-CE2 3.47Å; F605-F660 WeakPolarHBondContact CA-O 3.14Å; F605-F660 HydrophobicContact CD1-CB 3.73Å; F605-F660 HydrophobicContact CD1-CD2 4.15Å; F605-F660 HydrophobicContact CD1-CG 4.02Å; F605-F660 HydrophobicContact CE1-CB 4.22Å; F605-F660 AromaticContact CE1-CD2 3.87Å; F605-F660 HydrophobicContact CE1-CD2 3.87Å; F605-F660 HydrophobicContact CE1-CE2 4.42Å; F605-F660 AromaticContact CE1-CG 3.98Å; F605-F660 HydrophobicContact CE1-CG 3.98Å; F605-F662 HydrophobicContact CB-CE2 4.32Å; F605-F662 HydrophobicContact CD1-CE2 4.36Å; F605-F698 HydrophobicContact CD1-CE2 4.03Å; F605-F698 AromaticContact CD1-CZ 3.9Å; F605-F698 HydrophobicContact CD1-CZ 3.9Å; F605-F698 AromaticContact CE1-CE2 3.8Å; F605-F698 HydrophobicContact CE1-CE2 3.8Å; F605-F698 AromaticContact CE1-CZ 3.67Å; F605-F698 HydrophobicContact CE1-CZ 3.67Å; F605-L702 HydrophobicContact CE1-CD1 4.04Å; F605-L702 HydrophobicContact CE1-CD2 4.13Å; F605-L702 HydrophobicContact CZ-CD1 3.9Å; F605-L702 HydrophobicContact CZ-CD2 4.2Å
606	H	98.7	Very high	97.2	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	141.2	-173.4	-157.2	99.5	0	0	0	111.7	D472 Y515 T580 V581 F582 S608 F660 L661 F662	D472-H606 WeakPolarHBondContact OD2-CA 3.37Å; D472-H606 IonicContact OD2-CD2 2.77Å; D472-H606 IonicContact OD2-CG 3.79Å; Y515-H606 AromaticContact CE2-CE1 3.81Å; Y515-H606 AromaticContact CE2-ND1 3.46Å; Y515-H606 WeakPolarHBondContact CE2-ND1 3.41Å; Y515-H606 AromaticContact CZ-ND1 3.57Å; Y515-H606 PolarHBondContact OH-ND1 3Å; T580-H606 PolarHBondContact OG1-CE1 3.32Å; T580-H606 PolarHBondContact OG1-NE2 2.92Å; T580-H606 VanDerWaalsContact OG1-NE2 3.12Å; V581-H606 PolarHBondContact O-CE1 3.34Å; F582-H606 AromaticContact CD2-ND1 3.94Å; H606-S608 PolarHBondContact CD2-O 2.77Å; H606-S608 PolarHBondContact NE2-O 3.27Å; H606-S608 VanDerWaalsContact NE2-O 3.09Å; H606-F660 PolarHBondContact N-O 2.95Å; H606-L661 HydrophobicContact CB-CD2 4.03Å; H606-L661 WeakPolarHBondContact O-CA 3.48Å; H606-F662 PolarHBondContact O-N 3.44Å
607	S	95.3	Very high	97.2	Very high	2 Å²	2	25.3 Å²	25.3	1%	0.014	14%	0.138	C	C	.	.			trans	-109.3	-32.9	-178.7	59.7	0	0	0	0	116.5	D472 T476 N477 P663	D472-S607 PolarHBondContact OD2-N 2.94Å; D472-S607 PolarHBondContact OD2-OG 2.9Å; T476-S607 WeakPolarHBondContact CB-OG 3.37Å; T476-S607 WeakPolarHBondContact CG2-OG 3Å; N477-S607 VanDerWaalsContact OD1-CB 3.27Å; N477-S607 WeakPolarHBondContact OD1-CB 3.38Å; S607-P663 WeakPolarHBondContact O-CA 3.21Å
608	S	95.6	Very high	97.2	Very high	25 Å²	25	19.6 Å²	19.6	18%	0.175	11%	0.111	C	C	.	.	S	Bend	trans	-117.1	170.1	-158.9	-53.8	0	0	0	0	112	H606 L667	H606-S608 PolarHBondContact CD2-O 2.77Å; H606-S608 PolarHBondContact NE2-O 3.27Å; H606-S608 VanDerWaalsContact NE2-O 3.09Å; S608-L667 WeakPolarHBondContact O-CD2 3.26Å
609	M	96.7	Very high	97.1	Very high	25 Å²	25	26 Å²	26	12%	0.123	14%	0.138	C	C	.	.			trans	-71.7	130.7	164.3	-174.9	-176	-70.8	0	0	108.7	T611 L618 N620 Y666 D668	M609-T611 HydrophobicContact CB-CG2 4.46Å; M609-T611 HydrophobicContact CG-CG2 4.39Å; M609-T611 PolarHBondContact O-N 2.84Å; M609-L618 HydrophobicContact CG-CB 3.84Å; M609-L618 HydrophobicContact SD-CB 4.18Å; M609-N620 HydrophobicContact CE-CB 4.24Å; M609-Y666 HydrophobicContact CE-CD1 3.42Å; M609-Y666 VanDerWaalsContact CE-CD1 3.42Å; M609-Y666 HydrophobicContact CE-CE1 3.58Å; M609-Y666 HydrophobicContact CE-CG 4.42Å; M609-Y666 WeakPolarHBondContact CE-O 3.04Å; M609-D668 HydrophobicContact CE-CB 4.33Å
610	P	96.9	Very high	97	Very high	3 Å²	3	31.2 Å²	31.2	2%	0.019	17%	0.165	C	C	.	.			trans	-72.2	96.7	177.1	28.3	-35.9	0	0	0	111.3	T580 F582 L618 M672	T580-P610 CarbonylContact O-C 3.59Å; T580-P610 VanDerWaalsContact O-CA 3.23Å; T580-P610 WeakPolarHBondContact O-CA 3.31Å; T580-P610 WeakPolarHBondContact O-CB 3.45Å; F582-P610 HydrophobicContact CB-CB 3.76Å; F582-P610 HydrophobicContact CB-CG 3.72Å; P610-L618 HydrophobicContact CG-CB 4.29Å; P610-L618 HydrophobicContact CG-CD1 3.8Å; P610-L618 HydrophobicContact CG-CG 3.92Å; P610-L618 PolarHBondContact O-N 2.92Å; P610-M672 HydrophobicContact CG-CE 4.49Å
611	T	96.8	Very high	96.8	Very high	43 Å²	43	34.5 Å²	34.5	26%	0.264	18%	0.177	S	C	.	.			trans	-99.6	-10.9	-177.2	59.7	0	0	0	0	115	E579 T580 M609 K617	E579-T611 WeakPolarHBondContact CG-OG1 3.43Å; E579-T611 VanDerWaalsContact OE1-CB 3.29Å; E579-T611 WeakPolarHBondContact OE1-CB 3.23Å; E579-T611 PolarHBondContact OE1-OG1 2.88Å; T580-T611 PolarHBondContact O-N 3.3Å; M609-T611 HydrophobicContact CB-CG2 4.46Å; M609-T611 HydrophobicContact CG-CG2 4.39Å; M609-T611 PolarHBondContact O-N 2.84Å; T611-K617 WeakPolarHBondContact O-CD 3.44Å; T611-K617 WeakPolarHBondContact O-CE 3.45Å; T611-K617 PolarHBondContact O-NZ 2.94Å
612	A	97.2	Very high	96.6	Very high	4 Å²	4	36.6 Å²	36.6	3%	0.033	19%	0.189	C	C	.	.	S	Bend	trans	-61.1	149	179.3	0	0	0	0	0	111.4	K517 E579 T580 V581 A614 K617	K517-A612 HydrophobicContact CB-CB 3.92Å; E579-A612 HydrophobicContact CB-CB 4.07Å; T580-A612 WeakPolarHBondContact O-CB 3.42Å; T580-A612 PolarHBondContact O-N 3.22Å; V581-A612 HydrophobicContact CG1-CB 3.83Å; A612-A614 PolarHBondContact O-N 3.32Å; A612-K617 WeakPolarHBondContact O-CD 2.96Å
613	E	96.6	Very high	96.3	Very high	150 Å²	150	39.4 Å²	39.4	70%	0.701	20%	0.204	S	C	*	.	S	Bend	trans	-68.6	100.1	178.1	-66.5	-60.8	165.3	0	0	111.2	K617	E613-K617 IonicContact OE1-NZ 3.41Å; E613-K617 PolarHBondContact OE1-NZ 3.23Å; E613-K617 WeakPolarHBondContact OE2-CD 3.44Å; E613-K617 IonicContact OE2-NZ 2.82Å
614	A	96.5	Very high	95.9	Very high	20 Å²	20	44.3 Å²	44.3	17%	0.165	23%	0.225	C	C	.	.	S	Bend	trans	-155.3	162.2	-173.7	0	0	0	0	0	111.3	I539 V581 P584 A612 G616 K617	I539-A614 HydrophobicContact CD1-CB 3.94Å; V581-A614 HydrophobicContact CB-CB 4.37Å; V581-A614 HydrophobicContact CG1-CB 3.55Å; P584-A614 HydrophobicContact CG-CB 4.3Å; A612-A614 PolarHBondContact O-N 3.32Å; A614-G616 PolarHBondContact O-N 3.33Å; A614-K617 WeakPolarHBondContact O-CB 3.38Å; A614-K617 PolarHBondContact O-N 3.31Å; A614-K617 VanDerWaalsContact O-N 3.1Å
615	P	96	Very high	95.7	Very high	51 Å²	51	52.4 Å²	52.4	33%	0.331	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.2	131.2	161.1	-23.9	34.5	0	0	0	110.6	I539 K617 V642	I539-P615 VanDerWaalsContact O-CD 3.26Å; I539-P615 WeakPolarHBondContact O-CD 3.24Å; P615-K617 VanDerWaalsContact C-N 3.33Å; P615-K617 PolarHBondContact O-N 3.34Å; P615-V642 HydrophobicContact CB-CG1 4.3Å; P615-V642 HydrophobicContact CB-CG2 4.41Å
616	G	95.3	Very high	95.5	Very high	13 Å²	13	54.1 Å²	54.1	13%	0.134	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	77	8.5	-179.4	0	0	0	0	0	115.9	A614 L618 Y643	A614-G616 PolarHBondContact O-N 3.33Å; G616-L618 PolarHBondContact O-N 3.05Å; G616-Y643 WeakPolarHBondContact O-CE2 3.26Å; G616-Y643 PolarHBondContact O-OH 3.4Å
617	K	96.7	Very high	95.2	Very high	50 Å²	50	54.8 Å²	54.8	22%	0.217	27%	0.274	C	S	.	.			trans	-46	126.2	170.2	171.9	171.9	178.9	146	0	111.3	T611 A612 E613 A614 P615	T611-K617 WeakPolarHBondContact O-CD 3.44Å; T611-K617 WeakPolarHBondContact O-CE 3.45Å; T611-K617 PolarHBondContact O-NZ 2.94Å; A612-K617 WeakPolarHBondContact O-CD 2.96Å; E613-K617 IonicContact OE1-NZ 3.41Å; E613-K617 PolarHBondContact OE1-NZ 3.23Å; E613-K617 WeakPolarHBondContact OE2-CD 3.44Å; E613-K617 IonicContact OE2-NZ 2.82Å; A614-K617 WeakPolarHBondContact O-CB 3.38Å; A614-K617 PolarHBondContact O-N 3.31Å; A614-K617 VanDerWaalsContact O-N 3.1Å; P615-K617 VanDerWaalsContact C-N 3.33Å; P615-K617 PolarHBondContact O-N 3.34Å
618	L	96.3	Very high	94.9	Very high	1 Å²	1	59.9 Å²	59.9	1%	0.005	30%	0.301	C	S	.	.			trans	-94.3	163.9	177.1	-59.1	-178.9	0	0	0	110.9	M609 P610 G616 Q639 Y643 D668 M672	M609-L618 HydrophobicContact CG-CB 3.84Å; M609-L618 HydrophobicContact SD-CB 4.18Å; P610-L618 HydrophobicContact CG-CB 4.29Å; P610-L618 HydrophobicContact CG-CD1 3.8Å; P610-L618 HydrophobicContact CG-CG 3.92Å; P610-L618 PolarHBondContact O-N 2.92Å; G616-L618 PolarHBondContact O-N 3.05Å; L618-Q639 HydrophobicContact CD2-CB 4.47Å; L618-Q639 HydrophobicContact CD2-CG 4.39Å; L618-Y643 HydrophobicContact CD2-CE2 3.76Å; L618-D668 HydrophobicContact CD1-CB 4.25Å; L618-M672 HydrophobicContact CD1-CG 3.55Å; L618-M672 HydrophobicContact CD1-SD 4.3Å
619	K	94.7	Very high	94.8	Very high	146 Å²	146	61 Å²	61	64%	0.635	31%	0.307	S	S	*	.			trans	-139.5	145.7	177.5	-66	-177.2	-178.5	177.9	0	107.8	R621	K619-R621 PolarHBondContact O-N 3.04Å
620	N	94.8	Very high	94.6	Very high	117 Å²	117	65.3 Å²	65.3	63%	0.626	33%	0.33	S	S	*	.			trans	-64	112.6	175.3	-170.4	-16.1	0	0	0	110	M609 D622 Y666	M609-N620 HydrophobicContact CE-CB 4.24Å; N620-D622 PolarHBondContact OD1-N 3.15Å; N620-D622 VanDerWaalsContact OD1-N 3.13Å; N620-Y666 HydrophobicContact CB-CD1 4.46Å; N620-Y666 WeakPolarHBondContact OD1-CD1 3.43Å; N620-Y666 WeakPolarHBondContact OD1-CE1 3.42Å
621	R	94.4	Very high	94.6	Very high	69 Å²	69	71.9 Å²	71.9	26%	0.26	36%	0.358	S	S	.	.			trans	-121.9	15.5	-179.1	65.5	175.1	179.5	139.3	1.9	113	K619 D623 T634 Q637 Y666 D668 S671	K619-R621 PolarHBondContact O-N 3.04Å; R621-D623 PolarHBondContact O-N 3.3Å; R621-D623 VanDerWaalsContact O-N 3.08Å; R621-T634 PolarHBondContact NH1-O 3.26Å; R621-Q637 PolarHBondContact NH1-O 3.34Å; R621-Q637 PolarHBondContact NH2-O 2.79Å; R621-Y666 WeakPolarHBondContact CG-OH 3.28Å; R621-D668 IonicContact CZ-OD1 2.72Å; R621-D668 VanDerWaalsContact CZ-OD1 3.32Å; R621-D668 IonicContact CZ-OD2 3.36Å; R621-D668 IonicContact NE-OD1 3.59Å; R621-D668 PolarHBondContact NE-OD1 3.17Å; R621-D668 VanDerWaalsContact NE-OD1 3.14Å; R621-D668 IonicContact NE-OD2 2.71Å; R621-D668 PolarHBondContact NE-OD2 3.22Å; R621-D668 VanDerWaalsContact NH2-CG 3.34Å; R621-D668 IonicContact NH2-OD1 2.66Å; R621-D668 PolarHBondContact NH2-OD1 2.99Å; R621-D668 IonicContact NH2-OD2 3.18Å; R621-D668 PolarHBondContact NH2-OD2 3.43Å; R621-D668 VanDerWaalsContact NH2-OD2 3.15Å; R621-S671 PolarHBondContact NH2-OG 2.59Å; R621-S671 VanDerWaalsContact NH2-OG 3.1Å
622	D	93.9	Very high	94.5	Very high	48 Å²	48	69.9 Å²	69.9	26%	0.257	35%	0.346	S	S	.	.			trans	-73.7	96.3	176.3	-170.9	45.5	0	0	0	110.4	N620 Y666 T888	N620-D622 PolarHBondContact OD1-N 3.15Å; N620-D622 VanDerWaalsContact OD1-N 3.13Å; D622-Y666 HydrophobicContact CB-CD1 4.05Å; D622-Y666 HydrophobicContact CB-CD2 4.16Å; D622-Y666 HydrophobicContact CB-CE1 3.9Å; D622-Y666 HydrophobicContact CB-CE2 4.02Å; D622-Y666 HydrophobicContact CB-CG 4.18Å; D622-T888 VanDerWaalsContact OD1-CB 3.23Å; D622-T888 WeakPolarHBondContact OD1-CB 3.14Å; D622-T888 PolarHBondContact OD1-OG1 3.47Å
623	D	93.3	Very high	94.4	Very high	60 Å²	60	72.7 Å²	72.7	32%	0.321	36%	0.358	S	S	.	.			trans	-109.7	102.9	171.3	-174.3	4.9	0	0	0	110.8	R621 K625 L626	R621-D623 PolarHBondContact O-N 3.3Å; R621-D623 VanDerWaalsContact O-N 3.08Å; D623-K625 PolarHBondContact O-N 2.83Å; D623-K625 VanDerWaalsContact OD1-CB 3.24Å; D623-K625 WeakPolarHBondContact OD1-CB 3.12Å; D623-K625 WeakPolarHBondContact OD1-CD 3.03Å; D623-K625 WeakPolarHBondContact OD1-CG 3.25Å; D623-K625 PolarHBondContact OD1-N 2.87Å; D623-L626 HydrophobicContact CB-CD1 4.14Å; D623-L626 HydrophobicContact CB-CG 4.03Å; D623-L626 WeakPolarHBondContact O-CB 3.47Å; D623-L626 WeakPolarHBondContact O-CG 3.29Å; D623-L626 PolarHBondContact O-N 3.49Å
624	K	91.6	Very high	94.3	Very high	102 Å²	102	68.1 Å²	68.1	44%	0.443	34%	0.34	S	S	.	.	G	3₁₀ helix	trans	-58.4	-17.4	176.9	-61.8	-164.7	171.7	-155.7	0	113.8	L626 V627 T884	K624-L626 PolarHBondContact O-N 3.13Å; K624-V627 PolarHBondContact O-N 2.8Å; K624-T884 HydrophobicContact CB-CG2 4.24Å; K624-T884 PolarHBondContact NZ-O 3.04Å; K624-T884 WeakPolarHBondContact O-CG2 3.34Å
625	K	94.6	Very high	94.2	Very high	171 Å²	171	67.3 Å²	67.3	74%	0.743	33%	0.333	S	S	*	.	G	3₁₀ helix	trans	-70.9	-15	173.8	-57.8	164.8	-167.3	158	0	113.2	D623 T629	D623-K625 PolarHBondContact O-N 2.83Å; D623-K625 VanDerWaalsContact OD1-CB 3.24Å; D623-K625 WeakPolarHBondContact OD1-CB 3.12Å; D623-K625 WeakPolarHBondContact OD1-CD 3.03Å; D623-K625 WeakPolarHBondContact OD1-CG 3.25Å; D623-K625 PolarHBondContact OD1-N 2.87Å; K625-T629 WeakPolarHBondContact O-CG2 3.36Å
626	L	93.5	Very high	94.2	Very high	36 Å²	36	64.9 Å²	64.9	19%	0.188	32%	0.317	C	S	.	.	G	3₁₀ helix	trans	-83.4	-16.7	178.2	-55.8	-179.4	0	0	0	112.9	D623 K624 T629 K631 E632 L635	D623-L626 HydrophobicContact CB-CD1 4.14Å; D623-L626 HydrophobicContact CB-CG 4.03Å; D623-L626 WeakPolarHBondContact O-CB 3.47Å; D623-L626 WeakPolarHBondContact O-CG 3.29Å; D623-L626 PolarHBondContact O-N 3.49Å; K624-L626 PolarHBondContact O-N 3.13Å; L626-T629 WeakPolarHBondContact O-CB 3.49Å; L626-T629 PolarHBondContact O-N 2.94Å; L626-T629 VanDerWaalsContact O-N 3.11Å; L626-T629 PolarHBondContact O-OG1 2.76Å; L626-K631 HydrophobicContact CD2-CB 4.01Å; L626-K631 HydrophobicContact CD2-CD 4.35Å; L626-E632 WeakPolarHBondContact O-CA 3.41Å; L626-E632 VanDerWaalsContact O-CB 3.25Å; L626-E632 WeakPolarHBondContact O-CB 3.37Å; L626-E632 PolarHBondContact O-N 2.69Å; L626-L635 HydrophobicContact CB-CD1 4.19Å; L626-L635 HydrophobicContact CB-CG 4.43Å; L626-L635 HydrophobicContact CD1-CD2 4.18Å; L626-L635 HydrophobicContact CD1-CG 4.37Å
627	V	91.8	Very high	94.2	Very high	15 Å²	15	67.1 Å²	67.1	9%	0.091	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	136.1	179.1	-179.5	0	0	0	0	110.5	K624 T629 L635 G882 T884	K624-V627 PolarHBondContact O-N 2.8Å; V627-T629 PolarHBondContact O-N 2.98Å; V627-L635 HydrophobicContact CG2-CD1 4.21Å; V627-G882 VanDerWaalsContact CG1-O 3.31Å; V627-G882 WeakPolarHBondContact CG1-O 3.41Å; V627-T884 HydrophobicContact CB-CG2 3.84Å; V627-T884 HydrophobicContact CG1-CG2 4.08Å; V627-T884 HydrophobicContact CG2-CG2 4.08Å
628	N	89.6	Confident	93.9	Very high	109 Å²	109	66.3 Å²	66.3	58%	0.583	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.5	18.5	-169.9	-56.4	-57.7	0	0	0	115.7	E632 G882	N628-E632 WeakPolarHBondContact CA-OE2 3.18Å; N628-E632 PolarHBondContact N-OE2 2.97Å; N628-G882 PolarHBondContact ND2-O 2.84Å; N628-G882 PolarHBondContact OD1-O 3.09Å
629	T	94.1	Very high	93.5	Very high	49 Å²	49	69 Å²	69	30%	0.301	34%	0.336	S	S	.	.	S	Bend	trans	-110.5	163.8	174	79	0	0	0	0	112	K625 L626 V627 K631 E632	K625-T629 WeakPolarHBondContact O-CG2 3.36Å; L626-T629 WeakPolarHBondContact O-CB 3.49Å; L626-T629 PolarHBondContact O-N 2.94Å; L626-T629 VanDerWaalsContact O-N 3.11Å; L626-T629 PolarHBondContact O-OG1 2.76Å; V627-T629 PolarHBondContact O-N 2.98Å; T629-K631 PolarHBondContact O-N 3.42Å; T629-K631 PolarHBondContact OG1-N 3.3Å; T629-E632 VanDerWaalsContact O-CB 3.24Å; T629-E632 WeakPolarHBondContact O-CB 3.27Å; T629-E632 PolarHBondContact O-N 3.49Å; T629-E632 PolarHBondContact OG1-N 3.05Å
630	D	92.7	Very high	93	Very high	115 Å²	115	68.8 Å²	68.8	62%	0.615	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-15.5	173.2	-60.8	-26.2	0	0	0	114.1	K633 P826	D630-K633 VanDerWaalsContact O-CE 3.24Å; D630-K633 WeakPolarHBondContact O-CE 3.38Å; D630-P826 HydrophobicContact CB-CG 4.46Å; D630-P826 WeakPolarHBondContact OD1-CG 3.43Å
631	K	95.4	Very high	92.8	Very high	141 Å²	141	65.3 Å²	65.3	61%	0.613	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.6	-7.9	175.9	-66	-173.5	-175.9	-176.9	0	113.5	L626 T629 K633 T634	L626-K631 HydrophobicContact CD2-CB 4.01Å; L626-K631 HydrophobicContact CD2-CD 4.35Å; T629-K631 PolarHBondContact O-N 3.42Å; T629-K631 PolarHBondContact OG1-N 3.3Å; K631-K633 PolarHBondContact O-N 3.02Å; K631-T634 PolarHBondContact O-N 2.79Å; K631-T634 PolarHBondContact O-OG1 3.43Å
632	E	95.1	Very high	92.8	Very high	1 Å²	1	65 Å²	65	1%	0.005	33%	0.332	C	S	.	.	G	3₁₀ helix	trans	-51.2	-36.6	-179.4	-172.8	166.8	-168.7	0	0	112.9	L626 N628 T629 T634 L635 F636 V827 R891	L626-E632 WeakPolarHBondContact O-CA 3.41Å; L626-E632 VanDerWaalsContact O-CB 3.25Å; L626-E632 WeakPolarHBondContact O-CB 3.37Å; L626-E632 PolarHBondContact O-N 2.69Å; N628-E632 WeakPolarHBondContact CA-OE2 3.18Å; N628-E632 PolarHBondContact N-OE2 2.97Å; T629-E632 VanDerWaalsContact O-CB 3.24Å; T629-E632 WeakPolarHBondContact O-CB 3.27Å; T629-E632 PolarHBondContact O-N 3.49Å; T629-E632 PolarHBondContact OG1-N 3.05Å; E632-T634 PolarHBondContact O-N 2.96Å; E632-L635 VanDerWaalsContact O-CB 3.29Å; E632-L635 WeakPolarHBondContact O-CB 3.5Å; E632-L635 PolarHBondContact O-N 3.19Å; E632-F636 HydrophobicContact CG-CE2 4.21Å; E632-V827 HydrophobicContact CG-CG2 4.39Å; E632-V827 WeakPolarHBondContact OE2-CG2 3.16Å; E632-R891 IonicContact OE1-CZ 3.15Å; E632-R891 IonicContact OE1-NH1 3.1Å; E632-R891 PolarHBondContact OE1-NH1 2.85Å; E632-R891 IonicContact OE1-NH2 2.74Å; E632-R891 PolarHBondContact OE1-NH2 3.32Å
633	K	94.9	Very high	92.9	Very high	63 Å²	63	62.8 Å²	62.8	27%	0.274	32%	0.321	S	S	.	.	G	3₁₀ helix	trans	-51.5	-28.3	174.9	64.5	-166.8	177.4	-161.9	0	114.7	D630 K631 L635 F636 Q637 I822 N824	D630-K633 VanDerWaalsContact O-CE 3.24Å; D630-K633 WeakPolarHBondContact O-CE 3.38Å; K631-K633 PolarHBondContact O-N 3.02Å; K633-L635 PolarHBondContact O-N 2.63Å; K633-F636 PolarHBondContact O-N 2.69Å; K633-Q637 WeakPolarHBondContact O-CG 3.31Å; K633-Q637 PolarHBondContact O-N 2.92Å; K633-I822 WeakPolarHBondContact CB-O 3.28Å; K633-N824 VanDerWaalsContact CD-O 3.3Å; K633-N824 WeakPolarHBondContact CD-O 3.35Å; K633-N824 PolarHBondContact NZ-O 2.8Å
634	T	95.3	Very high	92.9	Very high	54 Å²	54	63.8 Å²	63.8	33%	0.331	32%	0.323	S	S	.	.	G	3₁₀ helix	trans	-69.8	-19.3	177.8	64.6	0	0	0	0	113.1	R621 K631 E632 F636	R621-T634 PolarHBondContact NH1-O 3.26Å; K631-T634 PolarHBondContact O-N 2.79Å; K631-T634 PolarHBondContact O-OG1 3.43Å; E632-T634 PolarHBondContact O-N 2.96Å; T634-F636 VanDerWaalsContact C-N 3.32Å
635	L	95.2	Very high	93.1	Very high	2 Å²	2	63.1 Å²	63.1	1%	0.01	32%	0.322	C	S	.	.	G	3₁₀ helix	trans	-74.9	-22.5	170.9	-61.6	176.4	0	0	0	112.3	L626 V627 E632 K633 A670 T888	L626-L635 HydrophobicContact CB-CD1 4.19Å; L626-L635 HydrophobicContact CB-CG 4.43Å; L626-L635 HydrophobicContact CD1-CD2 4.18Å; L626-L635 HydrophobicContact CD1-CG 4.37Å; V627-L635 HydrophobicContact CG2-CD1 4.21Å; E632-L635 VanDerWaalsContact O-CB 3.29Å; E632-L635 WeakPolarHBondContact O-CB 3.5Å; E632-L635 PolarHBondContact O-N 3.19Å; K633-L635 PolarHBondContact O-N 2.63Å; L635-A670 VanDerWaalsContact O-CB 3.27Å; L635-A670 WeakPolarHBondContact O-CB 3.47Å; L635-T888 HydrophobicContact CB-CG2 3.86Å; L635-T888 HydrophobicContact CD2-CG2 4.46Å
636	F	95.4	Very high	93.2	Very high	1 Å²	1	55.1 Å²	55.1	0%	0.004	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.9	-19.5	-179.7	-67.9	-71.4	0	0	0	114	E632 K633 T634 I822 L823 R891 R895	E632-F636 HydrophobicContact CG-CE2 4.21Å; K633-F636 PolarHBondContact O-N 2.69Å; T634-F636 VanDerWaalsContact C-N 3.32Å; F636-I822 HydrophobicContact CD1-CD1 4.45Å; F636-I822 HydrophobicContact CD2-CD1 4.21Å; F636-I822 HydrophobicContact CE1-CD1 4.32Å; F636-I822 HydrophobicContact CE2-CD1 4.09Å; F636-I822 HydrophobicContact CG-CD1 4.38Å; F636-I822 HydrophobicContact CZ-CD1 4.13Å; F636-L823 HydrophobicContact CB-CD2 3.67Å; F636-L823 WeakPolarHBondContact O-CD2 3.45Å; F636-R891 HydrophobicContact CE1-CB 3.82Å; F636-R891 HydrophobicContact CZ-CB 4.01Å; F636-R895 PolarHBondContact O-NH2 3.26Å
637	Q	94.6	Very high	93.4	Very high	60 Å²	60	53.6 Å²	53.6	28%	0.28	28%	0.279	S	S	.	.	S	Bend	trans	-77.7	135.1	175.5	-73.1	173.9	-0.8	0	0	111.2	R621 K633 L823	R621-Q637 PolarHBondContact NH1-O 3.34Å; R621-Q637 PolarHBondContact NH2-O 2.79Å; K633-Q637 WeakPolarHBondContact O-CG 3.31Å; K633-Q637 PolarHBondContact O-N 2.92Å; Q637-L823 HydrophobicContact CG-CD2 4.43Å; Q637-L823 PolarHBondContact NE2-O 2.65Å
638	P	91.3	Very high	93.6	Very high	32 Å²	32	55.5 Å²	55.5	21%	0.208	29%	0.286	C	S	.	.			trans	-64.8	159.6	172.4	30.2	-38.2	0	0	0	111.9	K640 A670 D674	P638-K640 PolarHBondContact O-N 3.5Å; P638-A670 WeakPolarHBondContact CA-O 3.48Å; P638-A670 WeakPolarHBondContact CB-O 3.18Å; P638-D674 HydrophobicContact CB-CB 3.89Å; P638-D674 HydrophobicContact CG-CB 4.45Å
639	Q	86.6	Confident	94	Very high	58 Å²	58	52.8 Å²	52.8	27%	0.271	27%	0.272	S	S	.	.			trans	-70.1	112.8	167.4	-69.4	-172.9	54	0	0	110.4	L618 D668 S671	L618-Q639 HydrophobicContact CD2-CB 4.47Å; L618-Q639 HydrophobicContact CD2-CG 4.39Å; Q639-D668 PolarHBondContact NE2-OD2 3.48Å; Q639-S671 WeakPolarHBondContact CG-OG 3.48Å; Q639-S671 PolarHBondContact N-OG 3.17Å
640	K	84.8	Confident	94.2	Very high	142 Å²	142	50.5 Å²	50.5	62%	0.617	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.6	164.8	-175.7	-64.6	-161.5	173.3	-153.5	0	113.4	P638	P638-K640 PolarHBondContact O-N 3.5Å
641	G	90.9	Very high	94.5	Very high	44 Å²	44	45.3 Å²	45.3	45%	0.454	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	96	-104.9	-176.8	0	0	0	0	0	110	Y643 E644 Q645	G641-Y643 PolarHBondContact O-N 3.4Å; G641-E644 PolarHBondContact O-N 2.81Å; G641-E644 VanDerWaalsContact O-N 3.16Å; G641-Q645 PolarHBondContact O-N 3.32Å
642	V	94.4	Very high	94.5	Very high	61 Å²	61	41.7 Å²	41.7	37%	0.37	23%	0.227	S	C	.	.	H	α-helix	trans	-54.7	-51.2	-170.8	-177.3	0	0	0	0	112.5	A583 P615 E644 Q645 L646	A583-V642 HydrophobicContact CB-CG1 3.77Å; P615-V642 HydrophobicContact CB-CG1 4.3Å; P615-V642 HydrophobicContact CB-CG2 4.41Å; V642-E644 VanDerWaalsContact C-N 3.35Å; V642-E644 PolarHBondContact O-N 3.17Å; V642-Q645 PolarHBondContact O-N 3.08Å; V642-L646 WeakPolarHBondContact O-CB 3.32Å; V642-L646 PolarHBondContact O-N 3.08Å
643	Y	95.5	Very high	94.6	Very high	3 Å²	3	43.7 Å²	43.7	1%	0.012	24%	0.236	C	C	.	.	H	α-helix	trans	-67.2	-32.6	-178.8	-66.7	-76	0	0	0	113.8	F582 A583 G616 L618 G641 L646 S647 V675	F582-Y643 AromaticContact CD1-CE1 3.77Å; F582-Y643 HydrophobicContact CD1-CE1 3.77Å; F582-Y643 HydrophobicContact CE1-CE1 4.05Å; A583-Y643 HydrophobicContact CB-CE1 4.1Å; G616-Y643 WeakPolarHBondContact O-CE2 3.26Å; G616-Y643 PolarHBondContact O-OH 3.4Å; L618-Y643 HydrophobicContact CD2-CE2 3.76Å; G641-Y643 PolarHBondContact O-N 3.4Å; Y643-L646 HydrophobicContact CD1-CD2 4.46Å; Y643-S647 WeakPolarHBondContact O-CB 3.42Å; Y643-S647 PolarHBondContact O-N 2.91Å; Y643-S647 PolarHBondContact O-OG 3.16Å; Y643-V675 HydrophobicContact CD1-CG2 4.13Å
644	E	94.1	Very high	94.8	Very high	80 Å²	80	40.7 Å²	40.7	37%	0.374	22%	0.223	S	C	.	.	H	α-helix	trans	-70.4	-38.3	176.6	-163.4	-162.1	120.5	0	0	111.3	G641 V642 K648	G641-E644 PolarHBondContact O-N 2.81Å; G641-E644 VanDerWaalsContact O-N 3.16Å; V642-E644 VanDerWaalsContact C-N 3.35Å; V642-E644 PolarHBondContact O-N 3.17Å; E644-K648 WeakPolarHBondContact O-CE 3.48Å; E644-K648 WeakPolarHBondContact O-CG 3.48Å; E644-K648 IonicContact OE1-NZ 3.57Å; E644-K648 PolarHBondContact OE1-NZ 3.21Å
645	Q	95.6	Very high	94.9	Very high	88 Å²	88	38.1 Å²	38.1	41%	0.411	21%	0.207	S	C	.	.	H	α-helix	trans	-72.7	-47.6	176.3	-175.7	52.6	44	0	0	111.3	G641 V642 S647 K648 D649	G641-Q645 PolarHBondContact O-N 3.32Å; V642-Q645 PolarHBondContact O-N 3.08Å; Q645-S647 PolarHBondContact O-N 2.68Å; Q645-K648 WeakPolarHBondContact O-CA 3.42Å; Q645-K648 VanDerWaalsContact O-CB 3.3Å; Q645-K648 WeakPolarHBondContact O-CB 3.28Å; Q645-K648 PolarHBondContact O-N 3Å; Q645-D649 WeakPolarHBondContact CG-OD2 3.29Å; Q645-D649 VanDerWaalsContact NE2-CG 3.26Å; Q645-D649 PolarHBondContact NE2-OD1 2.56Å; Q645-D649 PolarHBondContact NE2-OD2 2.82Å; Q645-D649 PolarHBondContact O-N 3.36Å
646	L	96.7	Very high	95.1	Very high	3 Å²	3	38.1 Å²	38.1	2%	0.016	21%	0.208	C	C	.	.	H	α-helix	trans	-56.1	-37.1	176.6	-176.9	60	0	0	0	112.5	A583 I586 Q587 V642 Y643 K648 D649 C650 V675	A583-L646 HydrophobicContact CB-CD2 3.88Å; I586-L646 HydrophobicContact CB-CD1 4.08Å; I586-L646 HydrophobicContact CB-CD2 3.96Å; I586-L646 HydrophobicContact CB-CG 4.31Å; I586-L646 HydrophobicContact CD1-CD2 4Å; I586-L646 HydrophobicContact CG2-CD1 3.7Å; I586-L646 HydrophobicContact CG2-CD2 4.11Å; I586-L646 HydrophobicContact CG2-CG 3.93Å; Q587-L646 HydrophobicContact CB-CD1 4.39Å; V642-L646 WeakPolarHBondContact O-CB 3.32Å; V642-L646 PolarHBondContact O-N 3.08Å; Y643-L646 HydrophobicContact CD1-CD2 4.46Å; L646-K648 VanDerWaalsContact C-N 3.35Å; L646-K648 PolarHBondContact O-N 3.15Å; L646-D649 PolarHBondContact O-N 2.82Å; L646-C650 VanDerWaalsContact O-CB 3.3Å; L646-C650 WeakPolarHBondContact O-CB 3.5Å; L646-C650 PolarHBondContact O-N 3.48Å; L646-C650 PolarHBondContact O-SG 2.67Å; L646-V675 HydrophobicContact CB-CG2 4.29Å; L646-V675 HydrophobicContact CD2-CG2 4.01Å; L646-V675 HydrophobicContact CG-CG2 4.04Å
647	S	96.6	Very high	95.2	Very high	4 Å²	4	38.1 Å²	38.1	3%	0.028	21%	0.208	C	C	.	.	H	α-helix	trans	-61	-40.7	172.4	-62.7	0	0	0	0	112.6	Y643 Q645 V651 V675	Y643-S647 WeakPolarHBondContact O-CB 3.42Å; Y643-S647 PolarHBondContact O-N 2.91Å; Y643-S647 PolarHBondContact O-OG 3.16Å; Q645-S647 PolarHBondContact O-N 2.68Å; S647-V651 WeakPolarHBondContact O-CG2 3.24Å; S647-V651 PolarHBondContact O-N 3.23Å; S647-V651 VanDerWaalsContact O-N 3.1Å; S647-V675 WeakPolarHBondContact OG-CG2 3.48Å
648	K	96.9	Very high	95.4	Very high	55 Å²	55	35.3 Å²	35.3	24%	0.239	19%	0.194	C	C	.	.	H	α-helix	trans	-68.4	-46.4	178.3	-63	163.8	-166.1	165.9	0	111	E644 Q645 L646 C650 V651 A652 Y734	E644-K648 WeakPolarHBondContact O-CE 3.48Å; E644-K648 WeakPolarHBondContact O-CG 3.48Å; E644-K648 IonicContact OE1-NZ 3.57Å; E644-K648 PolarHBondContact OE1-NZ 3.21Å; Q645-K648 WeakPolarHBondContact O-CA 3.42Å; Q645-K648 VanDerWaalsContact O-CB 3.3Å; Q645-K648 WeakPolarHBondContact O-CB 3.28Å; Q645-K648 PolarHBondContact O-N 3Å; L646-K648 VanDerWaalsContact C-N 3.35Å; L646-K648 PolarHBondContact O-N 3.15Å; K648-C650 VanDerWaalsContact C-N 3.33Å; K648-C650 PolarHBondContact O-N 3.03Å; K648-V651 PolarHBondContact O-N 2.93Å; K648-A652 VanDerWaalsContact O-CB 3.31Å; K648-A652 WeakPolarHBondContact O-CB 3.35Å; K648-A652 PolarHBondContact O-N 3.36Å; K648-Y734 HydrophobicContact CG-CE1 4.21Å; K648-Y734 HydrophobicContact CG-CE2 4.16Å; K648-Y734 WeakPolarHBondContact CG-OH 3.23Å
649	D	97.8	Very high	95.8	Very high	53 Å²	53	33.8 Å²	33.8	28%	0.283	19%	0.185	S	C	.	.	H	α-helix	trans	-65.3	-38.8	-179.1	-60.4	-34.8	0	0	0	111.1	V590 Q645 L646 Q653	V590-D649 HydrophobicContact CG1-CB 4.38Å; Q645-D649 WeakPolarHBondContact CG-OD2 3.29Å; Q645-D649 VanDerWaalsContact NE2-CG 3.26Å; Q645-D649 PolarHBondContact NE2-OD1 2.56Å; Q645-D649 PolarHBondContact NE2-OD2 2.82Å; Q645-D649 PolarHBondContact O-N 3.36Å; L646-D649 PolarHBondContact O-N 2.82Å; D649-Q653 WeakPolarHBondContact O-CB 3.35Å; D649-Q653 PolarHBondContact O-N 3.46Å; D649-Q653 VanDerWaalsContact O-N 3.15Å
650	C	98.6	Very high	96.4	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-60	-50.6	171.6	-71.8	0	0	0	0	112.2	I586 V590 L646 K648 Q653 G654 C655 V675 T679	I586-C650 VanDerWaalsContact CG2-SG 3.51Å; V590-C650 HydrophobicContact CG2-CB 4.35Å; V590-C650 WeakPolarHBondContact CG2-SG 3.39Å; L646-C650 VanDerWaalsContact O-CB 3.3Å; L646-C650 WeakPolarHBondContact O-CB 3.5Å; L646-C650 PolarHBondContact O-N 3.48Å; L646-C650 PolarHBondContact O-SG 2.67Å; K648-C650 VanDerWaalsContact C-N 3.33Å; K648-C650 PolarHBondContact O-N 3.03Å; C650-Q653 PolarHBondContact O-N 3.17Å; C650-G654 PolarHBondContact O-N 3.37Å; C650-C655 HydrophobicContact CB-CB 4.18Å; C650-C655 WeakPolarHBondContact CB-O 3.43Å; C650-C655 PolarHBondContact O-N 2.95Å; C650-V675 HydrophobicContact CB-CG1 4.44Å; C650-T679 HydrophobicContact CB-CG2 3.4Å
651	V	98.1	Very high	97	Very high	7 Å²	7	24.2 Å²	24.2	4%	0.042	14%	0.142	C	C	.	.	H	α-helix	trans	-66.8	-41.4	-178.5	174.2	0	0	0	0	112	S647 K648 Q653 G654 T679 Y734 E742 A744	S647-V651 WeakPolarHBondContact O-CG2 3.24Å; S647-V651 PolarHBondContact O-N 3.23Å; S647-V651 VanDerWaalsContact O-N 3.1Å; K648-V651 PolarHBondContact O-N 2.93Å; V651-Q653 VanDerWaalsContact C-N 3.29Å; V651-Q653 PolarHBondContact O-N 2.83Å; V651-G654 PolarHBondContact O-N 3.23Å; V651-G654 VanDerWaalsContact O-N 3.12Å; V651-T679 HydrophobicContact CG2-CG2 4.06Å; V651-Y734 HydrophobicContact CB-CD1 4.23Å; V651-Y734 HydrophobicContact CG1-CD1 4.02Å; V651-Y734 HydrophobicContact CG2-CD1 4.47Å; V651-Y734 HydrophobicContact CG2-CG 4.29Å; V651-E742 HydrophobicContact CG1-CB 3.63Å; V651-A744 HydrophobicContact CG2-CB 4.45Å
652	A	96.7	Very high	97.3	Very high	65 Å²	65	22.6 Å²	22.6	54%	0.537	12%	0.123	S	C	.	.	H	α-helix	trans	-59.9	-37.2	176.7	0	0	0	0	0	112.8	K457 K648	K457-A652 PolarHBondContact NZ-O 3.11Å; K648-A652 VanDerWaalsContact O-CB 3.31Å; K648-A652 WeakPolarHBondContact O-CB 3.35Å; K648-A652 PolarHBondContact O-N 3.36Å
653	Q	97.4	Very high	97.5	Very high	42 Å²	42	19.8 Å²	19.8	20%	0.196	11%	0.106	C	C	.	.	H	α-helix	trans	-80.7	-22	176.3	-172.5	54	44.2	0	0	113.6	V590 F593 K594 C598 D649 C650 V651	V590-Q653 HydrophobicContact CG1-CB 4.22Å; F593-Q653 HydrophobicContact CB-CG 4.01Å; F593-Q653 PolarHBondContact O-NE2 3.12Å; K594-Q653 VanDerWaalsContact CA-CD 3.5Å; K594-Q653 HydrophobicContact CB-CG 4.28Å; C598-Q653 PolarHBondContact O-NE2 2.77Å; D649-Q653 WeakPolarHBondContact O-CB 3.35Å; D649-Q653 PolarHBondContact O-N 3.46Å; D649-Q653 VanDerWaalsContact O-N 3.15Å; C650-Q653 PolarHBondContact O-N 3.17Å; V651-Q653 VanDerWaalsContact C-N 3.29Å; V651-Q653 PolarHBondContact O-N 2.83Å
654	G	97.9	Very high	97.4	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.3	34.6	-167.7	0	0	0	0	0	112.7	S599 G600 C650 V651	S599-G654 WeakPolarHBondContact CB-O 3.44Å; G600-G654 PolarHBondContact N-O 2.83Å; C650-G654 PolarHBondContact O-N 3.37Å; V651-G654 PolarHBondContact O-N 3.23Å; V651-G654 VanDerWaalsContact O-N 3.12Å
655	C	98.6	Very high	97.4	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	104.2	174.6	177.6	0	0	0	0	110.4	V590 F593 C650 T679 A744	V590-C655 HydrophobicContact CG2-CB 4.17Å; F593-C655 HydrophobicContact CD2-CB 3.8Å; F593-C655 HydrophobicContact CE2-CB 4.22Å; C650-C655 HydrophobicContact CB-CB 4.18Å; C650-C655 WeakPolarHBondContact CB-O 3.43Å; C650-C655 PolarHBondContact O-N 2.95Å; C655-T679 WeakPolarHBondContact O-CG2 3.26Å; C655-A744 VanDerWaalsContact C-CB 3.41Å; C655-A744 VanDerWaalsContact O-CB 3.25Å; C655-A744 WeakPolarHBondContact O-CB 3.48Å
656	C	98.6	Very high	97.5	Very high	3 Å²	3	24.4 Å²	24.4	2%	0.02	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	145.2	172.7	-174.4	0	0	0	0	110.6	G600 K601 L602 G681 F712 A744 A745	G600-C656 PolarHBondContact O-N 2.88Å; K601-C656 CarbonylContact C-O 3.37Å; K601-C656 WeakPolarHBondContact CA-O 3.43Å; K601-C656 HydrophobicContact CB-CB 4.47Å; K601-C656 HydrophobicContact CG-CB 4.24Å; L602-C656 PolarHBondContact N-O 2.88Å; C656-G681 VanDerWaalsContact SG-CA 3.53Å; C656-F712 HydrophobicContact CB-CE1 4.46Å; C656-A744 HydrophobicContact CB-CB 4.31Å; C656-A745 HydrophobicContact CB-CB 3.58Å
657	V	98.7	Very high	97.4	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	112.1	-178.7	-171.5	0	0	0	0	110.7	I586 L602 I604 V675 P676 T679	I586-V657 HydrophobicContact CD1-CG1 4.32Å; I586-V657 HydrophobicContact CG1-CG1 4.28Å; I586-V657 HydrophobicContact CG2-CG2 3.93Å; L602-V657 HydrophobicContact CB-CG1 4.43Å; L602-V657 HydrophobicContact CD1-CG2 4.08Å; L602-V657 HydrophobicContact CG-CG2 4.45Å; I604-V657 HydrophobicContact CD1-CG1 3.67Å; I604-V657 HydrophobicContact CG1-CG1 4.27Å; V657-V675 HydrophobicContact CB-CG1 4.46Å; V657-V675 HydrophobicContact CG2-CG1 3.91Å; V657-P676 HydrophobicContact CB-CG 4.38Å; V657-P676 HydrophobicContact CG1-CG 4.16Å; V657-P676 VanDerWaalsContact O-CA 3.31Å; V657-P676 WeakPolarHBondContact O-CA 3.4Å; V657-P676 VanDerWaalsContact O-CB 3.26Å; V657-P676 WeakPolarHBondContact O-CB 3.28Å; V657-T679 HydrophobicContact CG2-CG2 4.47Å; V657-T679 PolarHBondContact N-OG1 3.31Å
658	D	98.5	Very high	97.4	Very high	1 Å²	1	24.2 Å²	24.2	1%	0.005	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	138.9	168.4	-80.2	40	0	0	0	110.6	K601 L602 I604 F660 G681 S682 D705	K601-D658 WeakPolarHBondContact CE-OD1 3.26Å; K601-D658 WeakPolarHBondContact CE-OD2 3.31Å; K601-D658 IonicContact NZ-OD1 2.92Å; K601-D658 PolarHBondContact NZ-OD1 2.69Å; K601-D658 IonicContact NZ-OD2 2.69Å; K601-D658 PolarHBondContact NZ-OD2 3.34Å; L602-D658 PolarHBondContact O-N 2.8Å; I604-D658 PolarHBondContact N-O 3.29Å; D658-F660 HydrophobicContact CB-CE2 4.43Å; D658-G681 WeakPolarHBondContact OD1-CA 3.42Å; D658-S682 WeakPolarHBondContact CA-O 3.35Å; D658-S682 PolarHBondContact OD1-N 2.95Å; D658-S682 WeakPolarHBondContact OD2-CB 3.5Å; D658-S682 PolarHBondContact OD2-N 3.09Å; D658-S682 PolarHBondContact OD2-OG 3.5Å; D658-D705 VanDerWaalsContact OD2-OD1 3.07Å
659	L	98.6	Very high	97.4	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	108.3	-163.4	-176.2	62.5	0	0	0	110.6	F582 I604 L661 M672 P676 S682 V683 Y684	F582-L659 HydrophobicContact CE2-CD1 3.54Å; F582-L659 HydrophobicContact CE2-CD2 4.4Å; F582-L659 HydrophobicContact CZ-CD1 3.79Å; F582-L659 HydrophobicContact CZ-CD2 3.81Å; F582-L659 HydrophobicContact CZ-CG 4.45Å; I604-L659 HydrophobicContact CB-CD1 3.94Å; I604-L659 HydrophobicContact CG2-CD1 3.98Å; L659-L661 HydrophobicContact CD1-CD2 3.77Å; L659-L661 HydrophobicContact CD1-CG 4.45Å; L659-L661 HydrophobicContact CD2-CD1 4.02Å; L659-L661 HydrophobicContact CD2-CD2 3.94Å; L659-L661 HydrophobicContact CD2-CG 4.13Å; L659-L661 HydrophobicContact CG-CD1 4.23Å; L659-L661 HydrophobicContact CG-CD2 3.63Å; L659-L661 HydrophobicContact CG-CG 3.81Å; L659-M672 HydrophobicContact CD2-CB 4.38Å; L659-P676 HydrophobicContact CB-CG 3.89Å; L659-P676 HydrophobicContact CD2-CG 4.02Å; L659-S682 PolarHBondContact N-O 3.4Å; L659-V683 HydrophobicContact CB-CG2 4.38Å; L659-V683 WeakPolarHBondContact O-CA 3.37Å; L659-Y684 PolarHBondContact O-N 2.78Å
660	F	98.7	Very high	97.3	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	111.2	176.1	-63.2	-97.5	0	0	0	109	F603 I604 F605 H606 D658 F662 Y684 Y686 F698 D701 L702 D705	F603-F660 HydrophobicContact CD1-CE2 4.09Å; I604-F660 PolarHBondContact O-N 3.17Å; F605-F660 WeakPolarHBondContact CA-O 3.14Å; F605-F660 HydrophobicContact CD1-CB 3.73Å; F605-F660 HydrophobicContact CD1-CD2 4.15Å; F605-F660 HydrophobicContact CD1-CG 4.02Å; F605-F660 HydrophobicContact CE1-CB 4.22Å; F605-F660 AromaticContact CE1-CD2 3.87Å; F605-F660 HydrophobicContact CE1-CD2 3.87Å; F605-F660 HydrophobicContact CE1-CE2 4.42Å; F605-F660 AromaticContact CE1-CG 3.98Å; F605-F660 HydrophobicContact CE1-CG 3.98Å; H606-F660 PolarHBondContact N-O 2.95Å; D658-F660 HydrophobicContact CB-CE2 4.43Å; F660-F662 HydrophobicContact CB-CE2 3.74Å; F660-F662 HydrophobicContact CB-CZ 3.99Å; F660-F662 WeakPolarHBondContact O-CD2 3.25Å; F660-F662 VanDerWaalsContact O-CE2 3.25Å; F660-F662 WeakPolarHBondContact O-CE2 3.45Å; F660-Y684 AromaticContact CD1-CD2 3.73Å; F660-Y684 HydrophobicContact CD1-CD2 3.73Å; F660-Y684 AromaticContact CD1-CG 3.89Å; F660-Y684 HydrophobicContact CD1-CG 3.89Å; F660-Y684 HydrophobicContact CD2-CD2 4.44Å; F660-Y684 AromaticContact CE1-CD2 3.36Å; F660-Y684 HydrophobicContact CE1-CD2 3.36Å; F660-Y684 AromaticContact CE1-CE2 3.89Å; F660-Y684 HydrophobicContact CE1-CE2 3.89Å; F660-Y684 AromaticContact CE1-CG 3.75Å; F660-Y684 HydrophobicContact CE1-CG 3.75Å; F660-Y684 HydrophobicContact CE2-CD2 4.12Å; F660-Y684 HydrophobicContact CE2-CE2 4.45Å; F660-Y684 HydrophobicContact CG-CD2 4.26Å; F660-Y684 AromaticContact CZ-CD2 3.57Å; F660-Y684 HydrophobicContact CZ-CD2 3.57Å; F660-Y684 AromaticContact CZ-CE2 3.76Å; F660-Y684 HydrophobicContact CZ-CE2 3.76Å; F660-Y684 HydrophobicContact CZ-CG 4.42Å; F660-Y686 HydrophobicContact CD1-CE2 4.27Å; F660-F698 HydrophobicContact CB-CE2 4.36Å; F660-F698 AromaticContact CD1-CD2 3.93Å; F660-F698 HydrophobicContact CD1-CD2 3.93Å; F660-F698 AromaticContact CD1-CE2 3.65Å; F660-F698 HydrophobicContact CD1-CE2 3.65Å; F660-F698 HydrophobicContact CE1-CE2 4.23Å; F660-F698 HydrophobicContact CG-CE2 4.15Å; F660-D701 HydrophobicContact CE1-CB 4.41Å; F660-L702 HydrophobicContact CE1-CB 4.16Å; F660-L702 HydrophobicContact CE1-CD1 4.4Å; F660-L702 HydrophobicContact CE2-CD1 4.17Å; F660-L702 HydrophobicContact CZ-CB 4.39Å; F660-L702 HydrophobicContact CZ-CD1 3.88Å; F660-D705 HydrophobicContact CZ-CB 4.39Å
661	L	98.3	Very high	97.2	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	133.2	-172.7	-62.4	177.2	0	0	0	112.2	H606 L659 P663 L667 L669 M672 V683 Y684 Y686	H606-L661 HydrophobicContact CB-CD2 4.03Å; H606-L661 WeakPolarHBondContact O-CA 3.48Å; L659-L661 HydrophobicContact CD1-CD2 3.77Å; L659-L661 HydrophobicContact CD1-CG 4.45Å; L659-L661 HydrophobicContact CD2-CD1 4.02Å; L659-L661 HydrophobicContact CD2-CD2 3.94Å; L659-L661 HydrophobicContact CD2-CG 4.13Å; L659-L661 HydrophobicContact CG-CD1 4.23Å; L659-L661 HydrophobicContact CG-CD2 3.63Å; L659-L661 HydrophobicContact CG-CG 3.81Å; L661-P663 VanDerWaalsContact O-CD 3.24Å; L661-P663 WeakPolarHBondContact O-CD 3.46Å; L661-L667 HydrophobicContact CB-CD1 4.24Å; L661-L667 HydrophobicContact CD1-CD1 3.91Å; L661-L667 HydrophobicContact CD2-CD1 4.26Å; L661-L667 HydrophobicContact CG-CD1 4.37Å; L661-L669 HydrophobicContact CD1-CD1 3.21Å; L661-M672 HydrophobicContact CD2-CE 4.22Å; L661-V683 HydrophobicContact CD1-CG1 3.86Å; L661-V683 HydrophobicContact CG-CG1 4.5Å; L661-Y684 WeakPolarHBondContact CB-O 3.29Å; L661-Y684 PolarHBondContact N-O 3.14Å; L661-Y686 WeakPolarHBondContact O-CD2 3.26Å; L661-Y686 PolarHBondContact O-N 3.41Å
662	F	98.1	Very high	97.2	Very high	9 Å²	9	18.8 Å²	18.8	4%	0.039	11%	0.106	C	C	.	.			trans	-121	55.2	-177.3	-55.3	-89.7	0	0	0	112.4	L482 F605 H606 F660 Y686 F689 F698	L482-F662 HydrophobicContact CD1-CD1 4.05Å; L482-F662 HydrophobicContact CD1-CE1 3.58Å; L482-F662 HydrophobicContact CD1-CE2 4.16Å; L482-F662 HydrophobicContact CD1-CZ 3.65Å; L482-F662 HydrophobicContact CD2-CB 4.37Å; L482-F662 HydrophobicContact CD2-CD1 4.01Å; L482-F662 HydrophobicContact CD2-CD2 3.34Å; L482-F662 HydrophobicContact CD2-CE1 4.13Å; L482-F662 HydrophobicContact CD2-CE2 3.5Å; L482-F662 VanDerWaalsContact CD2-CE2 3.5Å; L482-F662 HydrophobicContact CD2-CG 3.62Å; L482-F662 HydrophobicContact CD2-CZ 3.89Å; L482-F662 HydrophobicContact CG-CE2 4.45Å; L482-F662 HydrophobicContact CG-CZ 4.41Å; F605-F662 HydrophobicContact CB-CE2 4.32Å; F605-F662 HydrophobicContact CD1-CE2 4.36Å; H606-F662 PolarHBondContact O-N 3.44Å; F660-F662 HydrophobicContact CB-CE2 3.74Å; F660-F662 HydrophobicContact CB-CZ 3.99Å; F660-F662 WeakPolarHBondContact O-CD2 3.25Å; F660-F662 VanDerWaalsContact O-CE2 3.25Å; F660-F662 WeakPolarHBondContact O-CE2 3.45Å; F662-Y686 AromaticContact CD1-CD2 3.75Å; F662-Y686 HydrophobicContact CD1-CD2 3.75Å; F662-Y686 HydrophobicContact CD1-CG 4.2Å; F662-Y686 AromaticContact CE1-CD2 3.37Å; F662-Y686 HydrophobicContact CE1-CD2 3.37Å; F662-Y686 AromaticContact CE1-CE2 3.99Å; F662-Y686 HydrophobicContact CE1-CE2 3.99Å; F662-Y686 HydrophobicContact CE1-CG 4.04Å; F662-Y686 AromaticContact CZ-CD2 3.87Å; F662-Y686 HydrophobicContact CZ-CD2 3.87Å; F662-Y686 HydrophobicContact CZ-CE2 4.13Å; F662-F689 HydrophobicContact CB-CB 4.32Å; F662-F689 HydrophobicContact CD1-CB 3.93Å; F662-F689 HydrophobicContact CD1-CD1 4.04Å; F662-F689 AromaticContact CD1-CD2 3.7Å; F662-F689 HydrophobicContact CD1-CD2 3.7Å; F662-F689 HydrophobicContact CD1-CE1 4.49Å; F662-F689 HydrophobicContact CD1-CE2 4.2Å; F662-F689 AromaticContact CD1-CG 3.62Å; F662-F689 HydrophobicContact CD1-CG 3.62Å; F662-F689 AromaticContact CE1-CD2 3.94Å; F662-F689 HydrophobicContact CE1-CD2 3.94Å; F662-F689 HydrophobicContact CE1-CE2 4.02Å; F662-F689 HydrophobicContact CE1-CG 4.28Å; F662-F689 HydrophobicContact CE1-CZ 4.42Å; F662-F698 HydrophobicContact CE1-CB 4.32Å; F662-F698 HydrophobicContact CE1-CD1 4.32Å; F662-F698 AromaticContact CE1-CD2 3.94Å; F662-F698 HydrophobicContact CE1-CD2 3.94Å; F662-F698 HydrophobicContact CE1-CE2 4.42Å; F662-F698 AromaticContact CE1-CG 3.89Å; F662-F698 HydrophobicContact CE1-CG 3.89Å; F662-F698 HydrophobicContact CZ-CD1 4.38Å; F662-F698 AromaticContact CZ-CD2 3.62Å; F662-F698 HydrophobicContact CZ-CD2 3.62Å; F662-F698 HydrophobicContact CZ-CE1 4.42Å; F662-F698 AromaticContact CZ-CE2 3.69Å; F662-F698 HydrophobicContact CZ-CE2 3.69Å; F662-F698 AromaticContact CZ-CG 3.99Å; F662-F698 HydrophobicContact CZ-CG 3.99Å; F662-F698 HydrophobicContact CZ-CZ 4.09Å
663	P	96.8	Very high	97.2	Very high	3 Å²	3	15.8 Å²	15.8	2%	0.019	8%	0.081	C	C	.	.			trans	-71.4	136	-171.8	27.3	-33.6	0	0	0	113.6	S607 L661 Q665 L667 K685 N688	S607-P663 WeakPolarHBondContact O-CA 3.21Å; L661-P663 VanDerWaalsContact O-CD 3.24Å; L661-P663 WeakPolarHBondContact O-CD 3.46Å; P663-Q665 WeakPolarHBondContact CB-O 3.49Å; P663-L667 HydrophobicContact CB-CD1 3.83Å; P663-L667 HydrophobicContact CB-CD2 4.16Å; P663-L667 HydrophobicContact CB-CG 3.86Å; P663-L667 HydrophobicContact CG-CD1 4.18Å; P663-K685 HydrophobicContact CG-CG 4.02Å; P663-N688 PolarHBondContact O-N 2.78Å
664	S	94.3	Very high	97	Very high	72 Å²	72	14.4 Å²	14.4	50%	0.503	8%	0.075	S	C	.	.	S	Bend	trans	-102.7	-9	159.4	58.1	0	0	0	0	113.1
665	Q	94.8	Very high	97	Very high	159 Å²	159	14.4 Å²	14.4	74%	0.743	8%	0.075	S	C	*	.	S	Bend	trans	-146.7	178.9	-178	-59.9	-170.6	17.8	0	0	110.5	P663	P663-Q665 WeakPolarHBondContact CB-O 3.49Å
666	Y	96	Very high	96.9	Very high	36 Å²	36	14.4 Å²	14.4	14%	0.141	8%	0.075	C	C	.	.			trans	-60.7	135.4	175.8	171.9	-109.3	0	0	0	112	M609 N620 R621 D622 D668 T888 D889	M609-Y666 HydrophobicContact CE-CD1 3.42Å; M609-Y666 VanDerWaalsContact CE-CD1 3.42Å; M609-Y666 HydrophobicContact CE-CE1 3.58Å; M609-Y666 HydrophobicContact CE-CG 4.42Å; M609-Y666 WeakPolarHBondContact CE-O 3.04Å; N620-Y666 HydrophobicContact CB-CD1 4.46Å; N620-Y666 WeakPolarHBondContact OD1-CD1 3.43Å; N620-Y666 WeakPolarHBondContact OD1-CE1 3.42Å; R621-Y666 WeakPolarHBondContact CG-OH 3.28Å; D622-Y666 HydrophobicContact CB-CD1 4.05Å; D622-Y666 HydrophobicContact CB-CD2 4.16Å; D622-Y666 HydrophobicContact CB-CE1 3.9Å; D622-Y666 HydrophobicContact CB-CE2 4.02Å; D622-Y666 HydrophobicContact CB-CG 4.18Å; Y666-D668 HydrophobicContact CE1-CB 4Å; Y666-D668 HydrophobicContact CE2-CB 4.48Å; Y666-D668 VanDerWaalsContact CZ-CA 3.47Å; Y666-D668 WeakPolarHBondContact OH-CA 3.24Å; Y666-D668 WeakPolarHBondContact OH-CB 3.45Å; Y666-D668 PolarHBondContact OH-OD1 2.77Å; Y666-T888 HydrophobicContact CE2-CG2 4.3Å; Y666-D889 WeakPolarHBondContact CA-OD2 3.49Å; Y666-D889 VanDerWaalsContact CD2-CG 3.5Å; Y666-D889 WeakPolarHBondContact CD2-OD1 3.36Å; Y666-D889 WeakPolarHBondContact CD2-OD2 3.32Å; Y666-D889 VanDerWaalsContact CE2-OD1 3.3Å; Y666-D889 WeakPolarHBondContact CE2-OD1 3.28Å
667	L	95.3	Very high	96.7	Very high	2 Å²	2	15.2 Å²	15.2	1%	0.01	8%	0.081	C	C	.	.			trans	-107.4	-20.7	-176.8	-67	-174.2	0	0	0	114.6	S608 L661 P663 M672 D889	S608-L667 WeakPolarHBondContact O-CD2 3.26Å; L661-L667 HydrophobicContact CB-CD1 4.24Å; L661-L667 HydrophobicContact CD1-CD1 3.91Å; L661-L667 HydrophobicContact CD2-CD1 4.26Å; L661-L667 HydrophobicContact CG-CD1 4.37Å; P663-L667 HydrophobicContact CB-CD1 3.83Å; P663-L667 HydrophobicContact CB-CD2 4.16Å; P663-L667 HydrophobicContact CB-CG 3.86Å; P663-L667 HydrophobicContact CG-CD1 4.18Å; L667-M672 HydrophobicContact CB-SD 3.94Å; L667-M672 HydrophobicContact CD1-SD 4.4Å; L667-D889 PolarHBondContact N-OD2 2.98Å
668	D	96.8	Very high	96.6	Very high	1 Å²	1	18.3 Å²	18.3	1%	0.005	10%	0.095	C	C	.	.			trans	60.2	57.2	-154.5	-172.5	21.5	0	0	0	112.1	M609 L618 R621 Q639 Y666 A670 S671 M672	M609-D668 HydrophobicContact CE-CB 4.33Å; L618-D668 HydrophobicContact CD1-CB 4.25Å; R621-D668 IonicContact CZ-OD1 2.72Å; R621-D668 VanDerWaalsContact CZ-OD1 3.32Å; R621-D668 IonicContact CZ-OD2 3.36Å; R621-D668 IonicContact NE-OD1 3.59Å; R621-D668 PolarHBondContact NE-OD1 3.17Å; R621-D668 VanDerWaalsContact NE-OD1 3.14Å; R621-D668 IonicContact NE-OD2 2.71Å; R621-D668 PolarHBondContact NE-OD2 3.22Å; R621-D668 VanDerWaalsContact NH2-CG 3.34Å; R621-D668 IonicContact NH2-OD1 2.66Å; R621-D668 PolarHBondContact NH2-OD1 2.99Å; R621-D668 IonicContact NH2-OD2 3.18Å; R621-D668 PolarHBondContact NH2-OD2 3.43Å; R621-D668 VanDerWaalsContact NH2-OD2 3.15Å; Q639-D668 PolarHBondContact NE2-OD2 3.48Å; Y666-D668 HydrophobicContact CE1-CB 4Å; Y666-D668 HydrophobicContact CE2-CB 4.48Å; Y666-D668 VanDerWaalsContact CZ-CA 3.47Å; Y666-D668 WeakPolarHBondContact OH-CA 3.24Å; Y666-D668 WeakPolarHBondContact OH-CB 3.45Å; Y666-D668 PolarHBondContact OH-OD1 2.77Å; D668-A670 PolarHBondContact O-N 3.03Å; D668-A670 VanDerWaalsContact O-N 3.17Å; D668-S671 VanDerWaalsContact CG-OG 3.29Å; D668-S671 PolarHBondContact O-N 3.22Å; D668-S671 PolarHBondContact OD1-OG 3.18Å; D668-S671 WeakPolarHBondContact OD2-CB 3.46Å; D668-S671 PolarHBondContact OD2-OG 2.99Å; D668-M672 PolarHBondContact O-N 3.18Å; D668-M672 VanDerWaalsContact O-N 3.12Å
669	L	96.9	Very high	96.5	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-58.8	-28.9	179.5	-171.6	68.6	0	0	0	112.4	L661 S671 M672 A673 V683 K685 D889 A892 H893	L661-L669 HydrophobicContact CD1-CD1 3.21Å; L669-S671 PolarHBondContact O-N 3.48Å; L669-M672 PolarHBondContact O-N 3.08Å; L669-A673 HydrophobicContact CD1-CB 4.02Å; L669-A673 HydrophobicContact CG-CB 4.11Å; L669-A673 VanDerWaalsContact O-CB 3.23Å; L669-A673 WeakPolarHBondContact O-CB 3.5Å; L669-A673 PolarHBondContact O-N 3.1Å; L669-V683 HydrophobicContact CD1-CG1 4.22Å; L669-K685 HydrophobicContact CD2-CD 4.42Å; L669-D889 HydrophobicContact CB-CB 3.96Å; L669-D889 VanDerWaalsContact CB-OD1 3.24Å; L669-D889 WeakPolarHBondContact CB-OD1 3.41Å; L669-D889 HydrophobicContact CD2-CB 4.43Å; L669-D889 VanDerWaalsContact CD2-O 3.27Å; L669-D889 WeakPolarHBondContact CD2-O 3.31Å; L669-D889 PolarHBondContact N-OD1 2.87Å; L669-A892 HydrophobicContact CB-CB 4.46Å; L669-H893 HydrophobicContact CD2-CB 3.54Å
670	A	96	Very high	96.4	Very high	1 Å²	1	18.4 Å²	18.4	1%	0.008	10%	0.097	C	C	.	.	H	α-helix	trans	-59.1	-25.2	174.5	0	0	0	0	0	113.2	L635 P638 D668 A892	L635-A670 VanDerWaalsContact O-CB 3.27Å; L635-A670 WeakPolarHBondContact O-CB 3.47Å; P638-A670 WeakPolarHBondContact CA-O 3.48Å; P638-A670 WeakPolarHBondContact CB-O 3.18Å; D668-A670 PolarHBondContact O-N 3.03Å; D668-A670 VanDerWaalsContact O-N 3.17Å; A670-A892 HydrophobicContact CB-CB 4.31Å
671	S	96.7	Very high	96.2	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-92.6	-48.6	170.1	-58.6	0	0	0	0	112.4	R621 Q639 D668 L669 A673 D674	R621-S671 PolarHBondContact NH2-OG 2.59Å; R621-S671 VanDerWaalsContact NH2-OG 3.1Å; Q639-S671 WeakPolarHBondContact CG-OG 3.48Å; Q639-S671 PolarHBondContact N-OG 3.17Å; D668-S671 VanDerWaalsContact CG-OG 3.29Å; D668-S671 PolarHBondContact O-N 3.22Å; D668-S671 PolarHBondContact OD1-OG 3.18Å; D668-S671 WeakPolarHBondContact OD2-CB 3.46Å; D668-S671 PolarHBondContact OD2-OG 2.99Å; L669-S671 PolarHBondContact O-N 3.48Å; S671-A673 VanDerWaalsContact C-N 3.33Å; S671-A673 PolarHBondContact O-N 2.94Å; S671-D674 VanDerWaalsContact O-CB 3.24Å; S671-D674 WeakPolarHBondContact O-CB 3.44Å; S671-D674 PolarHBondContact O-N 3.1Å
672	M	96.9	Very high	96.1	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-65.2	-33.8	-173.1	-65.1	-173.5	74.2	0	0	113.7	F582 P610 L618 L659 L661 L667 D668 L669 D674	F582-M672 HydrophobicContact CD1-CE 4Å; F582-M672 HydrophobicContact CD1-CG 4.28Å; F582-M672 HydrophobicContact CD2-CE 4Å; F582-M672 HydrophobicContact CE1-CB 4Å; F582-M672 HydrophobicContact CE1-CE 4.17Å; F582-M672 HydrophobicContact CE1-CG 4.25Å; F582-M672 HydrophobicContact CE2-CE 4.16Å; F582-M672 HydrophobicContact CG-CE 3.94Å; F582-M672 HydrophobicContact CZ-CE 4.25Å; P610-M672 HydrophobicContact CG-CE 4.49Å; L618-M672 HydrophobicContact CD1-CG 3.55Å; L618-M672 HydrophobicContact CD1-SD 4.3Å; L659-M672 HydrophobicContact CD2-CB 4.38Å; L661-M672 HydrophobicContact CD2-CE 4.22Å; L667-M672 HydrophobicContact CB-SD 3.94Å; L667-M672 HydrophobicContact CD1-SD 4.4Å; D668-M672 PolarHBondContact O-N 3.18Å; D668-M672 VanDerWaalsContact O-N 3.12Å; L669-M672 PolarHBondContact O-N 3.08Å; M672-D674 VanDerWaalsContact C-N 3.3Å; M672-D674 PolarHBondContact O-N 2.67Å
673	A	96.4	Very high	96.1	Very high	2 Å²	2	19.9 Å²	19.9	2%	0.017	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.6	-0.6	-179.9	0	0	0	0	0	113.8	L669 S671 S677 V683 L896	L669-A673 HydrophobicContact CD1-CB 4.02Å; L669-A673 HydrophobicContact CG-CB 4.11Å; L669-A673 VanDerWaalsContact O-CB 3.23Å; L669-A673 WeakPolarHBondContact O-CB 3.5Å; L669-A673 PolarHBondContact O-N 3.1Å; S671-A673 VanDerWaalsContact C-N 3.33Å; S671-A673 PolarHBondContact O-N 2.94Å; A673-S677 VanDerWaalsContact O-CB 3.27Å; A673-S677 WeakPolarHBondContact O-CB 3.37Å; A673-S677 PolarHBondContact O-N 3.18Å; A673-S677 PolarHBondContact O-OG 2.98Å; A673-V683 HydrophobicContact CB-CG1 4.48Å; A673-V683 HydrophobicContact CB-CG2 3.87Å; A673-L896 HydrophobicContact CB-CD1 3.45Å; A673-L896 VanDerWaalsContact CB-CD1 3.45Å
674	D	94.3	Very high	96.1	Very high	13 Å²	13	20.3 Å²	20.3	7%	0.07	11%	0.109	C	C	.	.	H	α-helix	trans	-66.6	-47.9	-174.7	-163	48.2	0	0	0	112.4	P638 S671 M672 S677 H678	P638-D674 HydrophobicContact CB-CB 3.89Å; P638-D674 HydrophobicContact CG-CB 4.45Å; S671-D674 VanDerWaalsContact O-CB 3.24Å; S671-D674 WeakPolarHBondContact O-CB 3.44Å; S671-D674 PolarHBondContact O-N 3.1Å; M672-D674 VanDerWaalsContact C-N 3.3Å; M672-D674 PolarHBondContact O-N 2.67Å; D674-S677 PolarHBondContact O-N 3.25Å; D674-H678 PolarHBondContact O-N 3.14Å; D674-H678 PolarHBondContact O-ND1 3.06Å; D674-H678 IonicContact OD1-CE1 3.74Å; D674-H678 PolarHBondContact OD1-CE1 2.73Å; D674-H678 IonicContact OD1-ND1 2.92Å; D674-H678 PolarHBondContact OD1-ND1 2.77Å
675	V	97.3	Very high	96.2	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-67.4	-47.5	178.7	-177.4	0	0	0	0	112	I586 Y643 L646 S647 C650 V657 S677 H678 T679	I586-V675 HydrophobicContact CD1-CB 4.28Å; I586-V675 HydrophobicContact CD1-CG1 4.35Å; I586-V675 HydrophobicContact CD1-CG2 4.43Å; I586-V675 HydrophobicContact CG2-CG1 4.29Å; Y643-V675 HydrophobicContact CD1-CG2 4.13Å; L646-V675 HydrophobicContact CB-CG2 4.29Å; L646-V675 HydrophobicContact CD2-CG2 4.01Å; L646-V675 HydrophobicContact CG-CG2 4.04Å; S647-V675 WeakPolarHBondContact OG-CG2 3.48Å; C650-V675 HydrophobicContact CB-CG1 4.44Å; V657-V675 HydrophobicContact CB-CG1 4.46Å; V657-V675 HydrophobicContact CG2-CG1 3.91Å; V675-S677 VanDerWaalsContact C-N 3.26Å; V675-S677 PolarHBondContact O-N 2.89Å; V675-H678 PolarHBondContact O-N 2.97Å; V675-T679 HydrophobicContact CG1-CG2 3.94Å; V675-T679 WeakPolarHBondContact O-CB 3.39Å; V675-T679 VanDerWaalsContact O-CG2 3.25Å; V675-T679 WeakPolarHBondContact O-CG2 3.21Å; V675-T679 PolarHBondContact O-N 2.75Å; V675-T679 PolarHBondContact O-OG1 2.89Å
676	P	97.1	Very high	96.3	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-51.3	-44.2	169.1	-30.5	36.1	0	0	0	113.4	V657 L659 H678 T679 G680 G681 V683	V657-P676 HydrophobicContact CB-CG 4.38Å; V657-P676 HydrophobicContact CG1-CG 4.16Å; V657-P676 VanDerWaalsContact O-CA 3.31Å; V657-P676 WeakPolarHBondContact O-CA 3.4Å; V657-P676 VanDerWaalsContact O-CB 3.26Å; V657-P676 WeakPolarHBondContact O-CB 3.28Å; L659-P676 HydrophobicContact CB-CG 3.89Å; L659-P676 HydrophobicContact CD2-CG 4.02Å; P676-H678 PolarHBondContact O-N 2.59Å; P676-T679 PolarHBondContact O-N 3.19Å; P676-T679 PolarHBondContact O-OG1 3.2Å; P676-G680 PolarHBondContact O-N 2.9Å; P676-G681 PolarHBondContact O-N 3.49Å; P676-V683 HydrophobicContact CB-CG2 3.6Å; P676-V683 HydrophobicContact CG-CG2 4.05Å
677	S	94.7	Very high	96.1	Very high	20 Å²	20	12.8 Å²	12.8	14%	0.14	7%	0.069	C	C	.	.	H	α-helix	trans	-67.5	-36.5	-177	-58.6	0	0	0	0	113.1	A673 D674 V675 A732 I733	A673-S677 VanDerWaalsContact O-CB 3.27Å; A673-S677 WeakPolarHBondContact O-CB 3.37Å; A673-S677 PolarHBondContact O-N 3.18Å; A673-S677 PolarHBondContact O-OG 2.98Å; D674-S677 PolarHBondContact O-N 3.25Å; V675-S677 VanDerWaalsContact C-N 3.26Å; V675-S677 PolarHBondContact O-N 2.89Å; S677-A732 CarbonylContact O-C 3.45Å; S677-A732 WeakPolarHBondContact O-CA 3.47Å; S677-A732 VanDerWaalsContact O-CB 3.31Å; S677-A732 WeakPolarHBondContact O-CB 3.22Å; S677-I733 PolarHBondContact O-N 3.43Å
678	H	95.5	Very high	96.1	Very high	65 Å²	65	17.4 Å²	17.4	30%	0.301	9%	0.094	S	C	.	.	H	α-helix	trans	-85.3	-22.1	178.9	-68.5	97.2	0	0	0	113.5	D674 V675 P676 G680 I733 Y734	D674-H678 PolarHBondContact O-N 3.14Å; D674-H678 PolarHBondContact O-ND1 3.06Å; D674-H678 IonicContact OD1-CE1 3.74Å; D674-H678 PolarHBondContact OD1-CE1 2.73Å; D674-H678 IonicContact OD1-ND1 2.92Å; D674-H678 PolarHBondContact OD1-ND1 2.77Å; V675-H678 PolarHBondContact O-N 2.97Å; P676-H678 PolarHBondContact O-N 2.59Å; H678-G680 VanDerWaalsContact C-N 3.34Å; H678-I733 PolarHBondContact CD2-O 3.03Å; H678-I733 VanDerWaalsContact CD2-O 3.28Å; H678-I733 CarbonylContact O-C 3.6Å; H678-Y734 PolarHBondContact O-N 2.87Å
679	T	97.4	Very high	96	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-85.2	-4.6	179.1	55.9	0	0	0	0	114.2	C650 V651 C655 V657 V675 P676 G681 A744 A745	C650-T679 HydrophobicContact CB-CG2 3.4Å; V651-T679 HydrophobicContact CG2-CG2 4.06Å; C655-T679 WeakPolarHBondContact O-CG2 3.26Å; V657-T679 HydrophobicContact CG2-CG2 4.47Å; V657-T679 PolarHBondContact N-OG1 3.31Å; V675-T679 HydrophobicContact CG1-CG2 3.94Å; V675-T679 WeakPolarHBondContact O-CB 3.39Å; V675-T679 VanDerWaalsContact O-CG2 3.25Å; V675-T679 WeakPolarHBondContact O-CG2 3.21Å; V675-T679 PolarHBondContact O-N 2.75Å; V675-T679 PolarHBondContact O-OG1 2.89Å; P676-T679 PolarHBondContact O-N 3.19Å; P676-T679 PolarHBondContact O-OG1 3.2Å; T679-G681 VanDerWaalsContact C-N 3.34Å; T679-A744 HydrophobicContact CG2-CB 4.44Å; T679-A744 WeakPolarHBondContact O-CB 3.18Å; T679-A744 PolarHBondContact O-N 3.33Å; T679-A744 VanDerWaalsContact O-N 3.09Å; T679-A745 PolarHBondContact O-N 3.35Å
680	G	95.4	Very high	95.9	Very high	3 Å²	3	23.8 Å²	23.8	3%	0.031	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	86.2	4.5	-175.7	0	0	0	0	0	114.2	P676 H678 A732 K750	P676-G680 PolarHBondContact O-N 2.9Å; H678-G680 VanDerWaalsContact C-N 3.34Å; G680-A732 WeakPolarHBondContact CA-O 3.27Å; G680-K750 WeakPolarHBondContact O-CE 3.33Å
681	G	96.1	Very high	95.7	Very high	6 Å²	6	26.4 Å²	26.4	6%	0.062	14%	0.139	C	C	.	.			trans	-77.5	-169.9	-178.5	0	0	0	0	0	114.7	C656 D658 P676 T679 K750	C656-G681 VanDerWaalsContact SG-CA 3.53Å; D658-G681 WeakPolarHBondContact OD1-CA 3.42Å; P676-G681 PolarHBondContact O-N 3.49Å; T679-G681 VanDerWaalsContact C-N 3.34Å; G681-K750 VanDerWaalsContact C-NZ 3.27Å; G681-K750 PolarHBondContact O-NZ 2.87Å
682	S	95.8	Very high	95.4	Very high	9 Å²	9	31.3 Å²	31.3	6%	0.063	18%	0.18	C	C	.	.			trans	-125.1	153.1	-174.7	-34.2	0	0	0	0	112	D658 L659 Y684 K708 K750	D658-S682 WeakPolarHBondContact CA-O 3.35Å; D658-S682 PolarHBondContact OD1-N 2.95Å; D658-S682 WeakPolarHBondContact OD2-CB 3.5Å; D658-S682 PolarHBondContact OD2-N 3.09Å; D658-S682 PolarHBondContact OD2-OG 3.5Å; L659-S682 PolarHBondContact N-O 3.4Å; S682-Y684 VanDerWaalsContact CB-CE2 3.48Å; S682-K708 PolarHBondContact OG-NZ 2.96Å; S682-K750 PolarHBondContact OG-NZ 3.47Å
683	V	97.3	Very high	95	Very high	25 Å²	25	33.6 Å²	33.6	15%	0.152	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	117.6	173.4	-176	0	0	0	0	109.1	L659 L661 L669 A673 P676 H893	L659-V683 HydrophobicContact CB-CG2 4.38Å; L659-V683 WeakPolarHBondContact O-CA 3.37Å; L661-V683 HydrophobicContact CD1-CG1 3.86Å; L661-V683 HydrophobicContact CG-CG1 4.5Å; L669-V683 HydrophobicContact CD1-CG1 4.22Å; A673-V683 HydrophobicContact CB-CG1 4.48Å; A673-V683 HydrophobicContact CB-CG2 3.87Å; P676-V683 HydrophobicContact CB-CG2 3.6Å; P676-V683 HydrophobicContact CG-CG2 4.05Å; V683-H893 PolarHBondContact O-CE1 3.16Å
684	Y	97.2	Very high	94.8	Very high	12 Å²	12	33.9 Å²	33.9	5%	0.047	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	135.6	178.2	-62.7	-81.7	0	0	0	108.8	L659 F660 L661 S682 D701 D705 K708	L659-Y684 PolarHBondContact O-N 2.78Å; F660-Y684 AromaticContact CD1-CD2 3.73Å; F660-Y684 HydrophobicContact CD1-CD2 3.73Å; F660-Y684 AromaticContact CD1-CG 3.89Å; F660-Y684 HydrophobicContact CD1-CG 3.89Å; F660-Y684 HydrophobicContact CD2-CD2 4.44Å; F660-Y684 AromaticContact CE1-CD2 3.36Å; F660-Y684 HydrophobicContact CE1-CD2 3.36Å; F660-Y684 AromaticContact CE1-CE2 3.89Å; F660-Y684 HydrophobicContact CE1-CE2 3.89Å; F660-Y684 AromaticContact CE1-CG 3.75Å; F660-Y684 HydrophobicContact CE1-CG 3.75Å; F660-Y684 HydrophobicContact CE2-CD2 4.12Å; F660-Y684 HydrophobicContact CE2-CE2 4.45Å; F660-Y684 HydrophobicContact CG-CD2 4.26Å; F660-Y684 AromaticContact CZ-CD2 3.57Å; F660-Y684 HydrophobicContact CZ-CD2 3.57Å; F660-Y684 AromaticContact CZ-CE2 3.76Å; F660-Y684 HydrophobicContact CZ-CE2 3.76Å; F660-Y684 HydrophobicContact CZ-CG 4.42Å; L661-Y684 WeakPolarHBondContact CB-O 3.29Å; L661-Y684 PolarHBondContact N-O 3.14Å; S682-Y684 VanDerWaalsContact CB-CE2 3.48Å; Y684-D701 HydrophobicContact CD1-CB 3.85Å; Y684-D701 HydrophobicContact CE1-CB 3.95Å; Y684-D705 HydrophobicContact CE2-CB 4.32Å; Y684-K708 PolarHBondContact OH-NZ 3.36Å
685	K	96.4	Very high	94.8	Very high	28 Å²	28	33.4 Å²	33.4	12%	0.122	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	114.5	-170.3	-167.8	-169.3	-176.3	-162.8	0	112.5	P663 L669 N687 D890	P663-K685 HydrophobicContact CG-CG 4.02Å; L669-K685 HydrophobicContact CD2-CD 4.42Å; K685-N687 WeakPolarHBondContact CE-OD1 3.31Å; K685-N687 PolarHBondContact NZ-OD1 2.69Å; K685-D890 IonicContact NZ-OD1 3.71Å; K685-D890 PolarHBondContact NZ-OD1 2.63Å
686	Y	95.8	Very high	94.5	Very high	6 Å²	6	37.6 Å²	37.6	2%	0.024	21%	0.213	C	C	.	.			trans	-112.8	84	-178.1	-50.2	-79.3	0	0	0	110.4	F660 L661 F662 N688 F689 H697 F698 D701	F660-Y686 HydrophobicContact CD1-CE2 4.27Å; L661-Y686 WeakPolarHBondContact O-CD2 3.26Å; L661-Y686 PolarHBondContact O-N 3.41Å; F662-Y686 AromaticContact CD1-CD2 3.75Å; F662-Y686 HydrophobicContact CD1-CD2 3.75Å; F662-Y686 HydrophobicContact CD1-CG 4.2Å; F662-Y686 AromaticContact CE1-CD2 3.37Å; F662-Y686 HydrophobicContact CE1-CD2 3.37Å; F662-Y686 AromaticContact CE1-CE2 3.99Å; F662-Y686 HydrophobicContact CE1-CE2 3.99Å; F662-Y686 HydrophobicContact CE1-CG 4.04Å; F662-Y686 AromaticContact CZ-CD2 3.87Å; F662-Y686 HydrophobicContact CZ-CD2 3.87Å; F662-Y686 HydrophobicContact CZ-CE2 4.13Å; Y686-N688 PolarHBondContact O-N 3.06Å; Y686-F689 HydrophobicContact CG-CD2 4.39Å; Y686-F689 PolarHBondContact O-N 3.48Å; Y686-H697 AromaticContact CD1-ND1 3.98Å; Y686-H697 AromaticContact CE1-CE1 3.75Å; Y686-H697 AromaticContact CE1-ND1 3.85Å; Y686-H697 AromaticContact CE1-NE2 3.94Å; Y686-F698 HydrophobicContact CD1-CB 4.33Å; Y686-F698 HydrophobicContact CD2-CB 4.48Å; Y686-F698 HydrophobicContact CE1-CB 4Å; Y686-F698 HydrophobicContact CE2-CB 4.16Å; Y686-F698 AromaticContact CE2-CD2 3.81Å; Y686-F698 HydrophobicContact CE2-CD2 3.81Å; Y686-F698 HydrophobicContact CE2-CG 4.39Å; Y686-D701 WeakPolarHBondContact OH-CB 3.47Å; Y686-D701 VanDerWaalsContact OH-CG 3.29Å; Y686-D701 PolarHBondContact OH-OD2 3.38Å
687	N	93.7	Very high	94.4	Very high	75 Å²	75	39 Å²	39	40%	0.401	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	121.2	179.2	-76.1	-33.8	0	0	0	111.3	K685 F689 D890	K685-N687 WeakPolarHBondContact CE-OD1 3.31Å; K685-N687 PolarHBondContact NZ-OD1 2.69Å; N687-F689 VanDerWaalsContact C-N 3.33Å; N687-F689 PolarHBondContact O-N 2.79Å; N687-D890 PolarHBondContact ND2-OD1 2.64Å; N687-D890 VanDerWaalsContact ND2-OD1 3.15Å
688	N	94.3	Very high	94.4	Very high	100 Å²	100	38 Å²	38	54%	0.535	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.1	39.5	179.7	-54.6	-75.4	0	0	0	114.2	P663 Y686 Q690	P663-N688 PolarHBondContact O-N 2.78Å; Y686-N688 PolarHBondContact O-N 3.06Å; N688-Q690 PolarHBondContact O-N 3.25Å; N688-Q690 PolarHBondContact O-NE2 3.23Å
689	F	95.3	Very high	94.5	Very high	17 Å²	17	35.6 Å²	35.6	8%	0.075	20%	0.202	C	C	.	.			trans	-45.4	129.5	-178.1	177.7	-95.6	0	0	0	114.2	L482 L485 F662 Y686 N687 V691 D694 F698	L482-F689 HydrophobicContact CB-CE1 4.25Å; L482-F689 HydrophobicContact CD1-CE1 3.89Å; L482-F689 HydrophobicContact CD1-CZ 3.95Å; L485-F689 HydrophobicContact CD2-CZ 3.89Å; F662-F689 HydrophobicContact CB-CB 4.32Å; F662-F689 HydrophobicContact CD1-CB 3.93Å; F662-F689 HydrophobicContact CD1-CD1 4.04Å; F662-F689 AromaticContact CD1-CD2 3.7Å; F662-F689 HydrophobicContact CD1-CD2 3.7Å; F662-F689 HydrophobicContact CD1-CE1 4.49Å; F662-F689 HydrophobicContact CD1-CE2 4.2Å; F662-F689 AromaticContact CD1-CG 3.62Å; F662-F689 HydrophobicContact CD1-CG 3.62Å; F662-F689 AromaticContact CE1-CD2 3.94Å; F662-F689 HydrophobicContact CE1-CD2 3.94Å; F662-F689 HydrophobicContact CE1-CE2 4.02Å; F662-F689 HydrophobicContact CE1-CG 4.28Å; F662-F689 HydrophobicContact CE1-CZ 4.42Å; Y686-F689 HydrophobicContact CG-CD2 4.39Å; Y686-F689 PolarHBondContact O-N 3.48Å; N687-F689 VanDerWaalsContact C-N 3.33Å; N687-F689 PolarHBondContact O-N 2.79Å; F689-V691 HydrophobicContact CE1-CG2 3.65Å; F689-V691 HydrophobicContact CZ-CG2 4.01Å; F689-D694 HydrophobicContact CD2-CB 3.41Å; F689-D694 VanDerWaalsContact CD2-CB 3.41Å; F689-D694 HydrophobicContact CE2-CB 3.69Å; F689-D694 HydrophobicContact CG-CB 4.3Å; F689-F698 HydrophobicContact CE2-CB 3.99Å
690	Q	93.3	Very high	94.4	Very high	118 Å²	118	38.9 Å²	38.9	55%	0.551	21%	0.214	S	C	*	.			trans	-131.4	128.1	169.4	-72.1	158.4	73.5	0	0	108.6	N688 A692 T693 D694	N688-Q690 PolarHBondContact O-N 3.25Å; N688-Q690 PolarHBondContact O-NE2 3.23Å; Q690-A692 PolarHBondContact O-N 3.24Å; Q690-A692 VanDerWaalsContact O-N 3.09Å; Q690-T693 PolarHBondContact O-N 3.07Å; Q690-T693 PolarHBondContact O-OG1 2.99Å; Q690-D694 WeakPolarHBondContact O-CB 3.11Å; Q690-D694 PolarHBondContact O-N 3.22Å
691	V	93.6	Very high	94.5	Very high	56 Å²	56	39 Å²	39	34%	0.339	21%	0.214	S	C	.	.	H	α-helix	trans	-52.8	-38.2	-175.8	172.1	0	0	0	0	112.5	S480 L485 F689 T693 G695	S480-V691 WeakPolarHBondContact O-CG2 3.37Å; L485-V691 HydrophobicContact CD1-CG1 4.22Å; L485-V691 HydrophobicContact CD2-CG1 4.29Å; L485-V691 HydrophobicContact CD2-CG2 4.25Å; F689-V691 HydrophobicContact CE1-CG2 3.65Å; F689-V691 HydrophobicContact CZ-CG2 4.01Å; V691-T693 VanDerWaalsContact C-N 3.34Å; V691-T693 PolarHBondContact O-N 3.09Å; V691-G695 WeakPolarHBondContact O-CA 3.46Å; V691-G695 PolarHBondContact O-N 3.02Å; V691-G695 VanDerWaalsContact O-N 3.08Å
692	A	89.9	Confident	94.6	Very high	103 Å²	103	38.7 Å²	38.7	85%	0.851	21%	0.211	S	C	*	.	H	α-helix	trans	-67.6	-24.3	-179.3	0	0	0	0	0	115.1	Q690	Q690-A692 PolarHBondContact O-N 3.24Å; Q690-A692 VanDerWaalsContact O-N 3.09Å
693	T	88.1	Confident	94.6	Very high	47 Å²	47	41.1 Å²	41.1	29%	0.288	22%	0.219	S	C	.	.	H	α-helix	trans	-117.6	-20.3	-176.6	51.3	0	0	0	0	114.4	Q690 V691 F983	Q690-T693 PolarHBondContact O-N 3.07Å; Q690-T693 PolarHBondContact O-OG1 2.99Å; V691-T693 VanDerWaalsContact C-N 3.34Å; V691-T693 PolarHBondContact O-N 3.09Å; T693-F983 HydrophobicContact CG2-CD2 3.64Å; T693-F983 HydrophobicContact CG2-CE2 4.05Å; T693-F983 HydrophobicContact CG2-CG 4.36Å
694	D	91.9	Very high	94.5	Very high	8 Å²	8	42.2 Å²	42.2	4%	0.043	22%	0.222	C	C	.	.	H	α-helix	trans	-124.7	-12.8	-171.8	-64.7	-93.9	0	0	0	112.6	F689 Q690 E696 H697 F698 K1012	F689-D694 HydrophobicContact CD2-CB 3.41Å; F689-D694 VanDerWaalsContact CD2-CB 3.41Å; F689-D694 HydrophobicContact CE2-CB 3.69Å; F689-D694 HydrophobicContact CG-CB 4.3Å; Q690-D694 WeakPolarHBondContact O-CB 3.11Å; Q690-D694 PolarHBondContact O-N 3.22Å; D694-E696 PolarHBondContact O-N 3.31Å; D694-H697 WeakPolarHBondContact O-CB 3.37Å; D694-H697 PolarHBondContact O-N 3.12Å; D694-H697 VanDerWaalsContact O-N 3.13Å; D694-F698 PolarHBondContact O-N 2.78Å; D694-K1012 WeakPolarHBondContact OD1-CE 3.38Å; D694-K1012 IonicContact OD1-NZ 2.74Å; D694-K1012 PolarHBondContact OD1-NZ 3.23Å; D694-K1012 IonicContact OD2-NZ 3.28Å; D694-K1012 PolarHBondContact OD2-NZ 2.74Å
695	G	94.4	Very high	94.5	Very high	3 Å²	3	41.7 Å²	41.7	3%	0.031	22%	0.22	C	C	.	.	H	α-helix	trans	-54.1	-55.7	-177.7	0	0	0	0	0	112.7	V691 H697 F698 L699	V691-G695 WeakPolarHBondContact O-CA 3.46Å; V691-G695 PolarHBondContact O-N 3.02Å; V691-G695 VanDerWaalsContact O-N 3.08Å; G695-H697 VanDerWaalsContact C-N 3.27Å; G695-H697 PolarHBondContact O-N 2.85Å; G695-F698 PolarHBondContact O-N 2.87Å; G695-L699 WeakPolarHBondContact O-CB 3.13Å; G695-L699 VanDerWaalsContact O-CG 3.26Å; G695-L699 WeakPolarHBondContact O-CG 3.45Å; G695-L699 PolarHBondContact O-N 2.89Å
696	E	92.2	Very high	94.5	Very high	89 Å²	89	40.4 Å²	40.4	42%	0.416	21%	0.214	S	C	.	.	H	α-helix	trans	-66.6	-24.1	178.9	-108.4	-59.9	122.3	0	0	114.1	D694 R700 R703	D694-E696 PolarHBondContact O-N 3.31Å; E696-R700 VanDerWaalsContact O-CB 3.27Å; E696-R700 WeakPolarHBondContact O-CB 3.4Å; E696-R700 PolarHBondContact O-N 2.87Å; E696-R700 VanDerWaalsContact O-N 3.1Å; E696-R700 IonicContact OE2-CZ 3.42Å; E696-R700 IonicContact OE2-NE 3.56Å; E696-R700 IonicContact OE2-NH2 3.73Å; E696-R700 PolarHBondContact OE2-NH2 3.01Å; E696-R703 IonicContact OE1-CZ 2.69Å; E696-R703 VanDerWaalsContact OE1-CZ 3.28Å; E696-R703 IonicContact OE1-NH1 3.84Å; E696-R703 PolarHBondContact OE1-NH1 3.16Å; E696-R703 IonicContact OE1-NH2 2.67Å; E696-R703 PolarHBondContact OE1-NH2 3.19Å; E696-R703 IonicContact OE2-NH1 2.71Å; E696-R703 PolarHBondContact OE2-NH1 2.93Å
697	H	93.4	Very high	94.4	Very high	29 Å²	29	44.8 Å²	44.8	13%	0.134	24%	0.235	C	C	.	.	H	α-helix	trans	-68.6	-54.6	172.3	177.8	-160.1	0	0	0	109.5	Y686 D694 G695 L699 R700 D701 S1010	Y686-H697 AromaticContact CD1-ND1 3.98Å; Y686-H697 AromaticContact CE1-CE1 3.75Å; Y686-H697 AromaticContact CE1-ND1 3.85Å; Y686-H697 AromaticContact CE1-NE2 3.94Å; D694-H697 WeakPolarHBondContact O-CB 3.37Å; D694-H697 PolarHBondContact O-N 3.12Å; D694-H697 VanDerWaalsContact O-N 3.13Å; G695-H697 VanDerWaalsContact C-N 3.27Å; G695-H697 PolarHBondContact O-N 2.85Å; H697-L699 PolarHBondContact O-N 3.33Å; H697-R700 PolarHBondContact O-N 2.83Å; H697-R700 VanDerWaalsContact O-N 3.17Å; H697-D701 IonicContact CD2-OD2 3.6Å; H697-D701 PolarHBondContact CD2-OD2 3.15Å; H697-D701 VanDerWaalsContact CD2-OD2 3.3Å; H697-D701 IonicContact NE2-OD2 3.87Å; H697-D701 PolarHBondContact NE2-OD2 3.26Å; H697-D701 PolarHBondContact O-N 3.33Å; H697-D701 VanDerWaalsContact O-N 3.12Å; H697-S1010 PolarHBondContact CD2-OG 3.1Å; H697-S1010 PolarHBondContact NE2-O 2.91Å
698	F	96.4	Very high	94.4	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-55.4	-49	175.7	159.2	-117.7	0	0	0	112.5	L482 L485 V486 F605 F660 F662 Y686 F689 D694 G695 R700 D701 L702	L482-F698 HydrophobicContact CD1-CD1 4.12Å; L482-F698 HydrophobicContact CD1-CE1 3.88Å; L482-F698 HydrophobicContact CD1-CZ 4.45Å; L485-F698 HydrophobicContact CD2-CD1 3.92Å; L485-F698 HydrophobicContact CD2-CE1 4.28Å; V486-F698 HydrophobicContact CG2-CE1 3.89Å; V486-F698 HydrophobicContact CG2-CZ 3.82Å; F605-F698 HydrophobicContact CD1-CE2 4.03Å; F605-F698 AromaticContact CD1-CZ 3.9Å; F605-F698 HydrophobicContact CD1-CZ 3.9Å; F605-F698 AromaticContact CE1-CE2 3.8Å; F605-F698 HydrophobicContact CE1-CE2 3.8Å; F605-F698 AromaticContact CE1-CZ 3.67Å; F605-F698 HydrophobicContact CE1-CZ 3.67Å; F660-F698 HydrophobicContact CB-CE2 4.36Å; F660-F698 AromaticContact CD1-CD2 3.93Å; F660-F698 HydrophobicContact CD1-CD2 3.93Å; F660-F698 AromaticContact CD1-CE2 3.65Å; F660-F698 HydrophobicContact CD1-CE2 3.65Å; F660-F698 HydrophobicContact CE1-CE2 4.23Å; F660-F698 HydrophobicContact CG-CE2 4.15Å; F662-F698 HydrophobicContact CE1-CB 4.32Å; F662-F698 HydrophobicContact CE1-CD1 4.32Å; F662-F698 AromaticContact CE1-CD2 3.94Å; F662-F698 HydrophobicContact CE1-CD2 3.94Å; F662-F698 HydrophobicContact CE1-CE2 4.42Å; F662-F698 AromaticContact CE1-CG 3.89Å; F662-F698 HydrophobicContact CE1-CG 3.89Å; F662-F698 HydrophobicContact CZ-CD1 4.38Å; F662-F698 AromaticContact CZ-CD2 3.62Å; F662-F698 HydrophobicContact CZ-CD2 3.62Å; F662-F698 HydrophobicContact CZ-CE1 4.42Å; F662-F698 AromaticContact CZ-CE2 3.69Å; F662-F698 HydrophobicContact CZ-CE2 3.69Å; F662-F698 AromaticContact CZ-CG 3.99Å; F662-F698 HydrophobicContact CZ-CG 3.99Å; F662-F698 HydrophobicContact CZ-CZ 4.09Å; Y686-F698 HydrophobicContact CD1-CB 4.33Å; Y686-F698 HydrophobicContact CD2-CB 4.48Å; Y686-F698 HydrophobicContact CE1-CB 4Å; Y686-F698 HydrophobicContact CE2-CB 4.16Å; Y686-F698 AromaticContact CE2-CD2 3.81Å; Y686-F698 HydrophobicContact CE2-CD2 3.81Å; Y686-F698 HydrophobicContact CE2-CG 4.39Å; F689-F698 HydrophobicContact CE2-CB 3.99Å; D694-F698 PolarHBondContact O-N 2.78Å; G695-F698 PolarHBondContact O-N 2.87Å; F698-R700 VanDerWaalsContact C-N 3.26Å; F698-R700 PolarHBondContact O-N 3.12Å; F698-D701 PolarHBondContact O-N 2.9Å; F698-L702 HydrophobicContact CE2-CB 4.05Å; F698-L702 HydrophobicContact CE2-CD2 4.24Å; F698-L702 HydrophobicContact CZ-CB 4.38Å; F698-L702 HydrophobicContact CZ-CD2 3.79Å; F698-L702 PolarHBondContact O-N 2.84Å
699	L	97	Very high	94.3	Very high	14 Å²	14	40.7 Å²	40.7	7%	0.073	22%	0.218	C	C	.	.	H	α-helix	trans	-61.5	-35.4	179.8	-68	-177.1	0	0	0	111.9	L485 E489 G695 H697 R703	L485-L699 HydrophobicContact CD1-CD1 3.98Å; L485-L699 HydrophobicContact CD2-CD2 4.45Å; L485-L699 HydrophobicContact CD2-CG 4.39Å; L485-L699 HydrophobicContact CG-CD1 4.34Å; L485-L699 HydrophobicContact CG-CD2 4.14Å; L485-L699 HydrophobicContact CG-CG 4.38Å; E489-L699 HydrophobicContact CB-CD2 3.61Å; E489-L699 HydrophobicContact CG-CD2 3.73Å; G695-L699 WeakPolarHBondContact O-CB 3.13Å; G695-L699 VanDerWaalsContact O-CG 3.26Å; G695-L699 WeakPolarHBondContact O-CG 3.45Å; G695-L699 PolarHBondContact O-N 2.89Å; H697-L699 PolarHBondContact O-N 3.33Å; L699-R703 VanDerWaalsContact O-CB 3.26Å; L699-R703 WeakPolarHBondContact O-CB 3.25Å; L699-R703 VanDerWaalsContact O-CD 3.29Å; L699-R703 WeakPolarHBondContact O-CD 3.3Å; L699-R703 WeakPolarHBondContact O-CG 3.45Å; L699-R703 PolarHBondContact O-N 3.1Å
700	R	95.3	Very high	94.3	Very high	69 Å²	69	40.5 Å²	40.5	26%	0.26	22%	0.217	S	C	.	.	H	α-helix	trans	-68.5	-39.9	176.2	-164.2	174.1	-50.2	118.3	12.6	112.7	E696 H697 F698 K704 S1010	E696-R700 VanDerWaalsContact O-CB 3.27Å; E696-R700 WeakPolarHBondContact O-CB 3.4Å; E696-R700 PolarHBondContact O-N 2.87Å; E696-R700 VanDerWaalsContact O-N 3.1Å; E696-R700 IonicContact OE2-CZ 3.42Å; E696-R700 IonicContact OE2-NE 3.56Å; E696-R700 IonicContact OE2-NH2 3.73Å; E696-R700 PolarHBondContact OE2-NH2 3.01Å; H697-R700 PolarHBondContact O-N 2.83Å; H697-R700 VanDerWaalsContact O-N 3.17Å; F698-R700 VanDerWaalsContact C-N 3.26Å; F698-R700 PolarHBondContact O-N 3.12Å; R700-K704 WeakPolarHBondContact O-CB 3.25Å; R700-K704 WeakPolarHBondContact O-CG 3.36Å; R700-K704 PolarHBondContact O-N 2.86Å; R700-S1010 PolarHBondContact NH1-OG 3.41Å
701	D	96.8	Very high	94.5	Very high	5 Å²	5	34.9 Å²	34.9	3%	0.027	19%	0.191	C	C	.	.	H	α-helix	trans	-62.9	-49.1	172.8	-75.2	-42	0	0	0	111.3	F660 Y684 Y686 H697 F698 R703 K704 D705 S1010	F660-D701 HydrophobicContact CE1-CB 4.41Å; Y684-D701 HydrophobicContact CD1-CB 3.85Å; Y684-D701 HydrophobicContact CE1-CB 3.95Å; Y686-D701 WeakPolarHBondContact OH-CB 3.47Å; Y686-D701 VanDerWaalsContact OH-CG 3.29Å; Y686-D701 PolarHBondContact OH-OD2 3.38Å; H697-D701 IonicContact CD2-OD2 3.6Å; H697-D701 PolarHBondContact CD2-OD2 3.15Å; H697-D701 VanDerWaalsContact CD2-OD2 3.3Å; H697-D701 IonicContact NE2-OD2 3.87Å; H697-D701 PolarHBondContact NE2-OD2 3.26Å; H697-D701 PolarHBondContact O-N 3.33Å; H697-D701 VanDerWaalsContact O-N 3.12Å; F698-D701 PolarHBondContact O-N 2.9Å; D701-R703 PolarHBondContact O-N 3.47Å; D701-K704 PolarHBondContact O-N 2.83Å; D701-D705 WeakPolarHBondContact O-CB 3.36Å; D701-D705 PolarHBondContact O-N 3.22Å; D701-S1010 WeakPolarHBondContact OD1-CA 3.23Å; D701-S1010 VanDerWaalsContact OD1-CB 3.28Å; D701-S1010 WeakPolarHBondContact OD1-CB 3.4Å; D701-S1010 PolarHBondContact OD1-N 3.07Å
702	L	97.9	Very high	94.7	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-59.6	-43.6	178.3	178.1	62	0	0	0	112.1	E489 L493 F603 F605 F660 F698 L706	E489-L702 HydrophobicContact CG-CD2 4.48Å; L493-L702 HydrophobicContact CD2-CD1 4.39Å; L493-L702 HydrophobicContact CD2-CD2 4.1Å; L493-L702 HydrophobicContact CD2-CG 3.7Å; F603-L702 HydrophobicContact CD1-CD1 4.04Å; F603-L702 HydrophobicContact CE1-CD1 4.44Å; F605-L702 HydrophobicContact CE1-CD1 4.04Å; F605-L702 HydrophobicContact CE1-CD2 4.13Å; F605-L702 HydrophobicContact CZ-CD1 3.9Å; F605-L702 HydrophobicContact CZ-CD2 4.2Å; F660-L702 HydrophobicContact CE1-CB 4.16Å; F660-L702 HydrophobicContact CE1-CD1 4.4Å; F660-L702 HydrophobicContact CE2-CD1 4.17Å; F660-L702 HydrophobicContact CZ-CB 4.39Å; F660-L702 HydrophobicContact CZ-CD1 3.88Å; F698-L702 HydrophobicContact CE2-CB 4.05Å; F698-L702 HydrophobicContact CE2-CD2 4.24Å; F698-L702 HydrophobicContact CZ-CB 4.38Å; F698-L702 HydrophobicContact CZ-CD2 3.79Å; F698-L702 PolarHBondContact O-N 2.84Å; L702-L706 WeakPolarHBondContact O-CB 3.42Å; L702-L706 PolarHBondContact O-N 3.32Å; L702-L706 VanDerWaalsContact O-N 3.13Å
703	R	96.9	Very high	95.1	Very high	59 Å²	59	28.2 Å²	28.2	22%	0.223	14%	0.139	C	C	.	.	H	α-helix	trans	-61.7	-44.5	175.1	-73.6	163.7	-169.9	152.6	8.1	112	E489 L493 E696 L699 D701 Q707	E489-R703 VanDerWaalsContact CD-NE 3.3Å; E489-R703 VanDerWaalsContact OE1-CG 3.23Å; E489-R703 WeakPolarHBondContact OE1-CG 3.35Å; E489-R703 IonicContact OE1-CZ 2.68Å; E489-R703 IonicContact OE1-NE 3.56Å; E489-R703 PolarHBondContact OE1-NE 3.03Å; E489-R703 IonicContact OE1-NH2 3.17Å; E489-R703 IonicContact OE2-CZ 2.71Å; E489-R703 IonicContact OE2-NE 2.68Å; E489-R703 PolarHBondContact OE2-NE 2.93Å; E489-R703 IonicContact OE2-NH2 3.46Å; E489-R703 PolarHBondContact OE2-NH2 3.38Å; L493-R703 HydrophobicContact CD1-CB 4.34Å; L493-R703 HydrophobicContact CD1-CG 4.05Å; E696-R703 IonicContact OE1-CZ 2.69Å; E696-R703 VanDerWaalsContact OE1-CZ 3.28Å; E696-R703 IonicContact OE1-NH1 3.84Å; E696-R703 PolarHBondContact OE1-NH1 3.16Å; E696-R703 IonicContact OE1-NH2 2.67Å; E696-R703 PolarHBondContact OE1-NH2 3.19Å; E696-R703 IonicContact OE2-NH1 2.71Å; E696-R703 PolarHBondContact OE2-NH1 2.93Å; L699-R703 VanDerWaalsContact O-CB 3.26Å; L699-R703 WeakPolarHBondContact O-CB 3.25Å; L699-R703 VanDerWaalsContact O-CD 3.29Å; L699-R703 WeakPolarHBondContact O-CD 3.3Å; L699-R703 WeakPolarHBondContact O-CG 3.45Å; L699-R703 PolarHBondContact O-N 3.1Å; D701-R703 PolarHBondContact O-N 3.47Å; R703-Q707 PolarHBondContact O-NE2 2.99Å
704	K	95.3	Very high	95.6	Very high	49 Å²	49	26.1 Å²	26.1	21%	0.213	13%	0.127	C	C	.	.	H	α-helix	trans	-64.7	-49.9	178.2	-77.5	-172.1	-173.8	-175.3	0	110.7	R700 D701 L706 Q707 K708 L1004 R1007 P1008 N1009	R700-K704 WeakPolarHBondContact O-CB 3.25Å; R700-K704 WeakPolarHBondContact O-CG 3.36Å; R700-K704 PolarHBondContact O-N 2.86Å; D701-K704 PolarHBondContact O-N 2.83Å; K704-L706 PolarHBondContact O-N 3.4Å; K704-Q707 CarbonylContact O-C 3.57Å; K704-Q707 PolarHBondContact O-N 3.45Å; K704-Q707 VanDerWaalsContact O-N 3.09Å; K704-K708 PolarHBondContact O-N 3.27Å; K704-K708 VanDerWaalsContact O-N 3.15Å; K704-L1004 PolarHBondContact NZ-O 2.94Å; K704-R1007 PolarHBondContact NZ-O 3.47Å; K704-P1008 WeakPolarHBondContact CD-O 3.12Å; K704-P1008 PolarHBondContact NZ-O 3Å; K704-N1009 PolarHBondContact NZ-O 3.29Å
705	D	97	Very high	95.9	Very high	1 Å²	1	27.9 Å²	27.9	1%	0.005	14%	0.137	C	C	.	.	H	α-helix	trans	-62.7	-43	-173.5	-179	67.1	0	0	0	113.2	K601 F603 D658 F660 Y684 D701 Q707 K708	K601-D705 IonicContact NZ-OD1 3.48Å; K601-D705 PolarHBondContact NZ-OD1 3.09Å; K601-D705 IonicContact NZ-OD2 3.41Å; K601-D705 PolarHBondContact NZ-OD2 3.49Å; F603-D705 WeakPolarHBondContact CE1-OD2 2.96Å; D658-D705 VanDerWaalsContact OD2-OD1 3.07Å; F660-D705 HydrophobicContact CZ-CB 4.39Å; Y684-D705 HydrophobicContact CE2-CB 4.32Å; D701-D705 WeakPolarHBondContact O-CB 3.36Å; D701-D705 PolarHBondContact O-N 3.22Å; D705-Q707 PolarHBondContact O-N 3.1Å; D705-K708 PolarHBondContact O-N 2.93Å; D705-K708 WeakPolarHBondContact OD1-CD 3.49Å; D705-K708 VanDerWaalsContact OD1-CE 3.26Å; D705-K708 WeakPolarHBondContact OD1-CE 3.38Å; D705-K708 IonicContact OD1-NZ 2.64Å; D705-K708 PolarHBondContact OD1-NZ 3.06Å
706	L	96.1	Very high	96.1	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-63.9	-28	175.9	-175.4	139.1	0	0	0	112.9	Y467 F469 L493 L497 P498 F603 L702 K704	Y467-L706 HydrophobicContact CD2-CD1 4.42Å; Y467-L706 HydrophobicContact CE2-CG 4.22Å; F469-L706 HydrophobicContact CE1-CD1 4.01Å; F469-L706 HydrophobicContact CZ-CD1 3.76Å; L493-L706 HydrophobicContact CD1-CB 4.45Å; L493-L706 HydrophobicContact CD1-CD2 3.92Å; L493-L706 HydrophobicContact CD2-CB 4.28Å; L493-L706 HydrophobicContact CD2-CD1 4.06Å; L493-L706 HydrophobicContact CG-CB 4.47Å; L493-L706 HydrophobicContact CG-CD1 4Å; L493-L706 HydrophobicContact CG-CD2 4.01Å; L493-L706 HydrophobicContact CG-CG 4.37Å; L497-L706 HydrophobicContact CD2-CD1 4.28Å; L497-L706 HydrophobicContact CD2-CD2 4.27Å; L497-L706 HydrophobicContact CD2-CG 4.42Å; P498-L706 VanDerWaalsContact CD-O 3.29Å; P498-L706 WeakPolarHBondContact CD-O 3.38Å; F603-L706 HydrophobicContact CE1-CB 4.22Å; F603-L706 HydrophobicContact CZ-CB 4.34Å; F603-L706 HydrophobicContact CZ-CD1 4.45Å; L702-L706 WeakPolarHBondContact O-CB 3.42Å; L702-L706 PolarHBondContact O-N 3.32Å; L702-L706 VanDerWaalsContact O-N 3.13Å; K704-L706 PolarHBondContact O-N 3.4Å
707	Q	93.8	Very high	96.4	Very high	99 Å²	99	27.2 Å²	27.2	46%	0.463	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.6	7.9	-178.8	-71.1	173.7	94.2	0	0	114	K496 R703 K704 D705	K496-Q707 HydrophobicContact CB-CG 4.16Å; R703-Q707 PolarHBondContact O-NE2 2.99Å; K704-Q707 CarbonylContact O-C 3.57Å; K704-Q707 PolarHBondContact O-N 3.45Å; K704-Q707 VanDerWaalsContact O-N 3.09Å; D705-Q707 PolarHBondContact O-N 3.1Å
708	K	93.3	Very high	96.6	Very high	15 Å²	15	26.7 Å²	26.7	7%	0.065	13%	0.129	C	C	.	.			trans	-61.9	153.6	175.8	-76.7	172.1	176.6	172.5	0	112	S682 Y684 K704 D705 L710 D747 D749	S682-K708 PolarHBondContact OG-NZ 2.96Å; Y684-K708 PolarHBondContact OH-NZ 3.36Å; K704-K708 PolarHBondContact O-N 3.27Å; K704-K708 VanDerWaalsContact O-N 3.15Å; D705-K708 PolarHBondContact O-N 2.93Å; D705-K708 WeakPolarHBondContact OD1-CD 3.49Å; D705-K708 VanDerWaalsContact OD1-CE 3.26Å; D705-K708 WeakPolarHBondContact OD1-CE 3.38Å; D705-K708 IonicContact OD1-NZ 2.64Å; D705-K708 PolarHBondContact OD1-NZ 3.06Å; K708-L710 VanDerWaalsContact O-CD2 3.28Å; K708-L710 WeakPolarHBondContact O-CD2 3.46Å; K708-D747 HydrophobicContact CB-CB 4.37Å; K708-D747 HydrophobicContact CD-CB 3.94Å; K708-D747 VanDerWaalsContact CD-OD2 3.27Å; K708-D747 WeakPolarHBondContact CD-OD2 3.27Å; K708-D747 WeakPolarHBondContact CE-OD2 3.24Å; K708-D747 IonicContact NZ-OD2 3.96Å; K708-D747 PolarHBondContact NZ-OD2 3.17Å; K708-D749 VanDerWaalsContact CE-OD2 3.28Å; K708-D749 WeakPolarHBondContact CE-OD2 3.47Å
709	S	92.4	Very high	96.7	Very high	74 Å²	74	28.3 Å²	28.3	52%	0.517	14%	0.135	S	C	.	.			trans	-83.6	126.1	162.5	-174.3	0	0	0	0	108.6	D747 C748	S709-D747 CarbonylContact O-C 3.58Å; S709-D747 WeakPolarHBondContact O-CA 3.33Å; S709-C748 PolarHBondContact O-N 2.75Å
710	L	94.9	Very high	96.8	Very high	12 Å²	12	29 Å²	29	6%	0.063	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	154.5	-177.6	71.2	169.8	0	0	0	113.1	K601 K708 F712 A745 V746 D747	K601-L710 HydrophobicContact CD-CD1 4.44Å; K708-L710 VanDerWaalsContact O-CD2 3.28Å; K708-L710 WeakPolarHBondContact O-CD2 3.46Å; L710-F712 HydrophobicContact CD1-CE1 4.35Å; L710-F712 HydrophobicContact CD1-CE2 3.75Å; L710-F712 HydrophobicContact CD1-CZ 3.54Å; L710-F712 HydrophobicContact CG-CE2 3.83Å; L710-F712 HydrophobicContact CG-CZ 4.17Å; L710-A745 HydrophobicContact CD1-CB 4.25Å; L710-V746 CarbonylContact C-O 3.55Å; L710-V746 WeakPolarHBondContact CA-O 3.46Å; L710-V746 WeakPolarHBondContact CB-O 3.42Å; L710-D747 HydrophobicContact CB-CB 3.88Å
711	G	97.4	Very high	96.9	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	150.2	168.7	0	0	0	0	0	111.7	A745 V746	G711-A745 CarbonylContact O-C 3.59Å; G711-A745 WeakPolarHBondContact O-CA 3.38Å; G711-A745 WeakPolarHBondContact O-CB 3.48Å; G711-V746 PolarHBondContact N-O 2.94Å; G711-V746 PolarHBondContact O-N 3.2Å
712	F	98.6	Very high	97	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	161.6	-178.6	-74.9	-86	0	0	0	113	P465 Y467 S599 G600 K601 C656 L710 A714 A745 T777 I779	P465-F712 HydrophobicContact CB-CD1 4.34Å; P465-F712 HydrophobicContact CB-CD2 3.75Å; P465-F712 HydrophobicContact CB-CE1 4.46Å; P465-F712 HydrophobicContact CB-CE2 3.87Å; P465-F712 HydrophobicContact CB-CG 4Å; P465-F712 HydrophobicContact CB-CZ 4.24Å; P465-F712 HydrophobicContact CG-CD2 3.65Å; P465-F712 HydrophobicContact CG-CE2 3.75Å; P465-F712 HydrophobicContact CG-CG 4.35Å; Y467-F712 HydrophobicContact CE1-CE2 4.38Å; Y467-F712 AromaticContact CE1-CZ 3.9Å; Y467-F712 HydrophobicContact CE1-CZ 3.9Å; S599-F712 WeakPolarHBondContact OG-CB 3.48Å; G600-F712 VanDerWaalsContact C-CE1 3.45Å; G600-F712 WeakPolarHBondContact O-CE1 3.31Å; K601-F712 HydrophobicContact CB-CE1 4.05Å; K601-F712 HydrophobicContact CB-CZ 4.11Å; C656-F712 HydrophobicContact CB-CE1 4.46Å; L710-F712 HydrophobicContact CD1-CE1 4.35Å; L710-F712 HydrophobicContact CD1-CE2 3.75Å; L710-F712 HydrophobicContact CD1-CZ 3.54Å; L710-F712 HydrophobicContact CG-CE2 3.83Å; L710-F712 HydrophobicContact CG-CZ 4.17Å; F712-A714 VanDerWaalsContact C-N 3.32Å; F712-A714 PolarHBondContact O-N 3.16Å; F712-A745 HydrophobicContact CD1-CB 3.74Å; F712-A745 HydrophobicContact CE1-CB 3.75Å; F712-A745 HydrophobicContact CG-CB 4.36Å; F712-A745 HydrophobicContact CZ-CB 4.38Å; F712-T777 PolarHBondContact N-O 3.36Å; F712-T777 PolarHBondContact O-N 2.99Å; F712-I779 HydrophobicContact CE2-CG2 4.41Å
713	D	97.8	Very high	96.9	Very high	20 Å²	20	30.2 Å²	30.2	11%	0.107	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	50.7	50.8	175.1	-174.9	42.9	0	0	0	112.2	K457 A744 R783	K457-D713 VanDerWaalsContact CE-CG 3.49Å; K457-D713 WeakPolarHBondContact CE-OD1 3.46Å; K457-D713 WeakPolarHBondContact CE-OD2 3.01Å; K457-D713 VanDerWaalsContact NZ-CG 3.31Å; K457-D713 IonicContact NZ-OD1 2.66Å; K457-D713 PolarHBondContact NZ-OD1 2.77Å; K457-D713 IonicContact NZ-OD2 3.12Å; K457-D713 PolarHBondContact NZ-OD2 3.48Å; D713-A744 PolarHBondContact N-O 2.96Å; D713-R783 PolarHBondContact O-NH1 2.78Å; D713-R783 PolarHBondContact O-NH2 3.2Å; D713-R783 IonicContact OD2-CZ 3.8Å; D713-R783 IonicContact OD2-NH1 2.68Å; D713-R783 PolarHBondContact OD2-NH1 2.58Å; D713-R783 IonicContact OD2-NH2 2.87Å; D713-R783 PolarHBondContact OD2-NH2 2.89Å
714	A	98	Very high	97	Very high	2 Å²	2	27.8 Å²	27.8	2%	0.017	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	138.1	-159.3	0	0	0	0	0	112.6	F712 M743 V746 L774 L775	F712-A714 VanDerWaalsContact C-N 3.32Å; F712-A714 PolarHBondContact O-N 3.16Å; A714-M743 HydrophobicContact CB-CB 4.39Å; A714-M743 PolarHBondContact N-O 2.89Å; A714-M743 PolarHBondContact O-N 3.19Å; A714-V746 HydrophobicContact CB-CG1 3.76Å; A714-L774 HydrophobicContact CB-CD1 4.02Å; A714-L775 CarbonylContact C-O 3.58Å; A714-L775 WeakPolarHBondContact CA-O 3.09Å
715	V	98.3	Very high	97.1	Very high	45 Å²	45	31.7 Å²	31.7	27%	0.273	16%	0.161	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	113.9	178	-174.1	0	0	0	0	109.4	D740 V741 L775	V715-D740 HydrophobicContact CG1-CB 3.94Å; V715-V741 CarbonylContact C-O 3.51Å; V715-V741 WeakPolarHBondContact CA-O 3.47Å; V715-L775 PolarHBondContact N-O 3.27Å; V715-L775 PolarHBondContact O-N 2.86Å
716	M	98.6	Very high	97.1	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	134.9	175	-166.8	-175.7	67.2	0	0	110.4	I362 P364 V718 V741 M743 V752 V754 C772 A773 L774	I362-M716 HydrophobicContact CG2-SD 4.28Å; P364-M716 HydrophobicContact CG-SD 4.18Å; M716-V718 HydrophobicContact CE-CG2 4.34Å; M716-V741 HydrophobicContact CB-CB 4.15Å; M716-V741 HydrophobicContact CE-CB 4.17Å; M716-V741 HydrophobicContact CE-CG1 4.22Å; M716-V741 HydrophobicContact CE-CG2 4.14Å; M716-V741 PolarHBondContact N-O 2.82Å; M716-V741 PolarHBondContact O-N 3.17Å; M716-M743 HydrophobicContact CB-CE 3.81Å; M716-V752 HydrophobicContact CE-CB 3.85Å; M716-V752 HydrophobicContact CE-CG1 3.81Å; M716-V752 HydrophobicContact CE-CG2 4.1Å; M716-V754 HydrophobicContact CE-CG2 4.46Å; M716-C772 VanDerWaalsContact CG-SG 3.55Å; M716-A773 CarbonylContact C-O 3.6Å; M716-A773 WeakPolarHBondContact CA-O 3.38Å; M716-L774 HydrophobicContact CB-CD1 3.95Å
717	R	98.5	Very high	97.2	Very high	79 Å²	79	34.4 Å²	34.4	30%	0.298	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	118	170.9	-171.8	-179.8	-169.1	103.8	8.2	110.8	R719 T739 D740 A773	R717-R719 PolarHBondContact O-NH1 3.41Å; R717-T739 VanDerWaalsContact CZ-OG1 3.24Å; R717-T739 PolarHBondContact NH1-OG1 2.78Å; R717-T739 PolarHBondContact NH2-OG1 2.82Å; R717-D740 WeakPolarHBondContact CD-OD1 3.46Å; R717-D740 IonicContact CZ-OD1 3.42Å; R717-D740 IonicContact NE-OD1 2.63Å; R717-D740 IonicContact NH1-OD1 3.16Å; R717-D740 PolarHBondContact NH1-OD1 2.84Å; R717-D740 IonicContact NH1-OD2 2.68Å; R717-D740 PolarHBondContact NH1-OD2 3.2Å; R717-A773 PolarHBondContact N-O 2.82Å; R717-A773 PolarHBondContact O-N 2.94Å; R717-A773 VanDerWaalsContact O-N 3.14Å
718	V	98.6	Very high	97.4	Very high	17 Å²	17	32.2 Å²	32.2	10%	0.103	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	127	174	-177.8	0	0	0	0	109.6	I362 M716 V754 F756	I362-V718 HydrophobicContact CD1-CG2 3.66Å; M716-V718 HydrophobicContact CE-CG2 4.34Å; V718-V754 HydrophobicContact CG2-CG2 4.24Å; V718-F756 HydrophobicContact CG1-CE1 4.13Å; V718-F756 HydrophobicContact CG1-CZ 4.38Å
719	R	98.6	Very high	97.6	Very high	35 Å²	35	32.1 Å²	32.1	13%	0.132	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	146.1	173.4	-66.2	168.7	-178.1	70.5	-4.7	109.5	K392 R717 M770 Q771	K392-R719 PolarHBondContact O-NE 3.46Å; K392-R719 PolarHBondContact O-NH2 3Å; R717-R719 PolarHBondContact O-NH1 3.41Å; R719-M770 CarbonylContact O-C 3.55Å; R719-M770 WeakPolarHBondContact O-CA 3.36Å; R719-Q771 HydrophobicContact CB-CB 4.46Å; R719-Q771 PolarHBondContact N-O 2.89Å; R719-Q771 PolarHBondContact O-N 2.92Å
720	T	98.6	Very high	97.9	Very high	27 Å²	27	28.9 Å²	28.9	17%	0.166	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	161	-177.4	50	0	0	0	0	110.2	F724 R725 F756 F769	T720-F724 VanDerWaalsContact CB-O 3.27Å; T720-F724 WeakPolarHBondContact CB-O 3.38Å; T720-F724 HydrophobicContact CG2-CD2 3.81Å; T720-F724 HydrophobicContact CG2-CE1 4.18Å; T720-F724 HydrophobicContact CG2-CE2 3.41Å; T720-F724 VanDerWaalsContact CG2-CE2 3.41Å; T720-F724 HydrophobicContact CG2-CG 4.36Å; T720-F724 HydrophobicContact CG2-CZ 3.63Å; T720-F724 PolarHBondContact OG1-O 3.46Å; T720-R725 WeakPolarHBondContact OG1-CA 3.21Å; T720-F756 HydrophobicContact CG2-CD1 4.06Å; T720-F756 HydrophobicContact CG2-CE1 3.88Å; T720-F769 CarbonylContact C-O 3.46Å; T720-F769 VanDerWaalsContact CA-O 3.31Å; T720-F769 WeakPolarHBondContact CA-O 3.42Å
721	S	98.3	Very high	97.9	Very high	8 Å²	8	28.9 Å²	28.9	6%	0.056	15%	0.15	C	C	.	.			trans	-77.2	161.5	167.8	59.8	0	0	0	0	112	F412 G723 F724 F769	F412-S721 CarbonylContact O-C 3.27Å; F412-S721 VanDerWaalsContact O-CA 3.32Å; F412-S721 WeakPolarHBondContact O-CA 3.44Å; S721-G723 PolarHBondContact O-N 3.3Å; S721-F724 VanDerWaalsContact O-CD1 3.32Å; S721-F724 WeakPolarHBondContact O-CD1 3.35Å; S721-F724 PolarHBondContact O-N 2.97Å; S721-F724 WeakPolarHBondContact OG-CE1 3.14Å; S721-F769 PolarHBondContact N-O 2.79Å; S721-F769 PolarHBondContact OG-N 3.03Å
722	T	97.1	Very high	97.8	Very high	88 Å²	88	29.3 Å²	29.3	54%	0.54	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-46.4	136.1	173.2	-55.1	0	0	0	0	111.9	F412	F412-T722 PolarHBondContact O-N 3.1Å; F412-T722 PolarHBondContact O-OG1 3.26Å
723	G	96.7	Very high	97.6	Very high	4 Å²	4	30 Å²	30	4%	0.041	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	108	-21.3	-179.2	0	0	0	0	0	114.9	S721 H758 D759 D760	S721-G723 PolarHBondContact O-N 3.3Å; G723-H758 WeakPolarHBondContact O-CA 3.47Å; G723-D759 PolarHBondContact O-N 3.48Å; G723-D760 PolarHBondContact O-N 2.75Å
724	F	98.1	Very high	97.5	Very high	8 Å²	8	31 Å²	31	4%	0.035	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148	159.9	176.2	78	-62.2	0	0	0	112.9	L344 T720 S721 F756 K757 L762 A768 M770	L344-F724 HydrophobicContact CD1-CD2 4.31Å; L344-F724 HydrophobicContact CD1-CE2 4.18Å; L344-F724 HydrophobicContact CD1-CZ 4.39Å; T720-F724 VanDerWaalsContact CB-O 3.27Å; T720-F724 WeakPolarHBondContact CB-O 3.38Å; T720-F724 HydrophobicContact CG2-CD2 3.81Å; T720-F724 HydrophobicContact CG2-CE1 4.18Å; T720-F724 HydrophobicContact CG2-CE2 3.41Å; T720-F724 VanDerWaalsContact CG2-CE2 3.41Å; T720-F724 HydrophobicContact CG2-CG 4.36Å; T720-F724 HydrophobicContact CG2-CZ 3.63Å; T720-F724 PolarHBondContact OG1-O 3.46Å; S721-F724 VanDerWaalsContact O-CD1 3.32Å; S721-F724 WeakPolarHBondContact O-CD1 3.35Å; S721-F724 PolarHBondContact O-N 2.97Å; S721-F724 WeakPolarHBondContact OG-CE1 3.14Å; F724-F756 HydrophobicContact CD2-CB 4.06Å; F724-F756 AromaticContact CD2-CD1 3.95Å; F724-F756 HydrophobicContact CD2-CD1 3.95Å; F724-F756 HydrophobicContact CD2-CG 4.06Å; F724-F756 AromaticContact CE2-CD1 3.97Å; F724-F756 HydrophobicContact CE2-CD1 3.97Å; F724-F756 HydrophobicContact CE2-CE1 4.32Å; F724-F756 HydrophobicContact CE2-CG 4.2Å; F724-K757 VanDerWaalsContact CA-O 3.29Å; F724-K757 WeakPolarHBondContact CA-O 3.41Å; F724-K757 WeakPolarHBondContact CB-O 3.36Å; F724-L762 HydrophobicContact CB-CD2 4.38Å; F724-L762 HydrophobicContact CD1-CD2 3.76Å; F724-L762 HydrophobicContact CG-CD2 4.42Å; F724-A768 HydrophobicContact CD1-CB 4.4Å; F724-A768 HydrophobicContact CE1-CB 3.68Å; F724-A768 HydrophobicContact CZ-CB 3.94Å; F724-M770 HydrophobicContact CE2-CG 3.95Å; F724-M770 HydrophobicContact CE2-SD 4.04Å; F724-M770 HydrophobicContact CZ-CG 3.63Å; F724-M770 HydrophobicContact CZ-SD 4.3Å
725	R	97.9	Very high	97.4	Very high	131 Å²	131	33.5 Å²	33.5	49%	0.494	17%	0.172	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	159.5	172.5	67.9	172	174.4	-116	-3.4	112.5	T720 T727 F756 K757 D759	T720-R725 WeakPolarHBondContact OG1-CA 3.21Å; R725-T727 HydrophobicContact CG-CG2 4.14Å; R725-F756 VanDerWaalsContact O-CA 3.26Å; R725-F756 WeakPolarHBondContact O-CA 3.49Å; R725-K757 PolarHBondContact N-O 3.27Å; R725-K757 PolarHBondContact O-N 3.31Å; R725-D759 VanDerWaalsContact CD-OD2 3.24Å; R725-D759 WeakPolarHBondContact CD-OD2 3.33Å; R725-D759 WeakPolarHBondContact CG-OD1 3.43Å; R725-D759 WeakPolarHBondContact CG-OD2 3.41Å; R725-D759 IonicContact CZ-OD1 3.47Å; R725-D759 IonicContact CZ-OD2 3.64Å; R725-D759 IonicContact NE-OD1 3.39Å; R725-D759 PolarHBondContact NE-OD1 3.04Å; R725-D759 IonicContact NE-OD2 2.92Å; R725-D759 IonicContact NH1-OD1 2.64Å; R725-D759 PolarHBondContact NH1-OD1 3.08Å; R725-D759 IonicContact NH1-OD2 3.26Å; R725-D759 PolarHBondContact NH1-OD2 3.22Å; R725-D759 IonicContact NH2-OD1 2.85Å; R725-D759 PolarHBondContact NH2-OD1 3.33Å
726	A	98	Very high	97.1	Very high	16 Å²	16	36.5 Å²	36.5	13%	0.132	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	140.8	162.8	0	0	0	0	0	109.7	F729 V754 E755 F756	A726-F729 HydrophobicContact CB-CE1 4.31Å; A726-F729 HydrophobicContact CB-CE2 4.3Å; A726-F729 HydrophobicContact CB-CZ 3.71Å; A726-V754 HydrophobicContact CB-CG1 3.58Å; A726-E755 WeakPolarHBondContact CA-O 3.15Å; A726-F756 HydrophobicContact CB-CD1 4.12Å; A726-F756 HydrophobicContact CB-CE1 4.03Å
727	T	97.4	Very high	96.9	Very high	43 Å²	43	39.6 Å²	39.6	26%	0.264	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	-34.4	176.2	65.4	0	0	0	0	113.6	R725 E755 K757	R725-T727 HydrophobicContact CG-CG2 4.14Å; T727-E755 PolarHBondContact N-O 2.87Å; T727-K757 HydrophobicContact CG2-CB 3.79Å; T727-K757 HydrophobicContact CG2-CG 3.54Å; T727-K757 WeakPolarHBondContact OG1-CG 3.39Å
728	D	97.9	Very high	96.7	Very high	52 Å²	52	41.4 Å²	41.4	28%	0.278	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	146.2	-176.4	-82.7	-88.3	0	0	0	111.3	F730 E755 R820	D728-F730 HydrophobicContact CB-CE2 3.73Å; D728-F730 HydrophobicContact CB-CZ 4.06Å; D728-E755 HydrophobicContact CB-CB 4.18Å; D728-E755 PolarHBondContact O-N 3.2Å; D728-R820 IonicContact OD1-CZ 2.7Å; D728-R820 IonicContact OD1-NH1 3.27Å; D728-R820 PolarHBondContact OD1-NH1 3.29Å; D728-R820 IonicContact OD1-NH2 3.15Å; D728-R820 PolarHBondContact OD1-NH2 3.3Å; D728-R820 VanDerWaalsContact OD1-NH2 3.16Å
729	F	98.3	Very high	96.5	Very high	13 Å²	13	43 Å²	43	6%	0.057	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	138.7	-174.7	-59.6	-99.7	0	0	0	109.2	A726 I733 M735 V741 T753 V754	A726-F729 HydrophobicContact CB-CE1 4.31Å; A726-F729 HydrophobicContact CB-CE2 4.3Å; A726-F729 HydrophobicContact CB-CZ 3.71Å; F729-I733 HydrophobicContact CB-CD1 3.65Å; F729-M735 HydrophobicContact CB-SD 3.8Å; F729-M735 HydrophobicContact CD2-CE 3.48Å; F729-M735 VanDerWaalsContact CD2-CE 3.48Å; F729-M735 HydrophobicContact CD2-SD 3.72Å; F729-M735 HydrophobicContact CE2-CE 3.71Å; F729-M735 HydrophobicContact CG-CE 4.01Å; F729-M735 HydrophobicContact CG-SD 3.91Å; F729-M735 HydrophobicContact CZ-CE 4.4Å; F729-V741 HydrophobicContact CB-CG2 4.28Å; F729-V741 HydrophobicContact CD1-CG2 3.34Å; F729-V741 HydrophobicContact CD2-CG2 4.44Å; F729-V741 HydrophobicContact CE1-CG2 3.66Å; F729-V741 HydrophobicContact CG-CG2 3.79Å; F729-V741 HydrophobicContact CZ-CG2 4.34Å; F729-T753 CarbonylContact C-O 3.57Å; F729-V754 HydrophobicContact CD1-CB 4.3Å; F729-V754 HydrophobicContact CD1-CG1 3.86Å; F729-V754 HydrophobicContact CD1-CG2 3.7Å; F729-V754 HydrophobicContact CE1-CB 4.43Å; F729-V754 HydrophobicContact CE1-CG1 3.61Å; F729-V754 HydrophobicContact CE1-CG2 3.98Å; F729-V754 HydrophobicContact CZ-CG1 4.19Å
730	F	98.1	Very high	96.4	Very high	6 Å²	6	43 Å²	43	3%	0.026	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	105.7	-174.8	-52.2	-104.9	0	0	0	108.8	D728 T753 E755 F813 K816 R820 M899	D728-F730 HydrophobicContact CB-CE2 3.73Å; D728-F730 HydrophobicContact CB-CZ 4.06Å; F730-T753 PolarHBondContact N-O 3.02Å; F730-T753 PolarHBondContact O-N 2.97Å; F730-E755 HydrophobicContact CE2-CB 4.06Å; F730-F813 HydrophobicContact CE2-CE2 4.22Å; F730-F813 HydrophobicContact CZ-CE2 4.43Å; F730-K816 HydrophobicContact CB-CB 3.9Å; F730-K816 HydrophobicContact CB-CD 4.01Å; F730-K816 HydrophobicContact CD1-CB 4.3Å; F730-K816 HydrophobicContact CG-CB 4.36Å; F730-R820 HydrophobicContact CD1-CB 4.26Å; F730-R820 HydrophobicContact CE1-CB 4.27Å; F730-R820 VanDerWaalsContact CE1-CD 3.48Å; F730-M899 HydrophobicContact CB-CE 3.91Å; F730-M899 HydrophobicContact CD1-CE 4.3Å
731	G	96.1	Very high	96.4	Very high	12 Å²	12	41.7 Å²	41.7	12%	0.124	23%	0.227	C	C	.	.	S	Bend	trans	-163.3	-177.5	-174.3	0	0	0	0	0	111.9	I733 M899	G731-I733 VanDerWaalsContact C-N 3.33Å; G731-I733 PolarHBondContact O-N 3.28Å; G731-M899 VanDerWaalsContact CA-O 3.28Å; G731-M899 WeakPolarHBondContact CA-O 3.48Å
732	A	93.4	Very high	96.4	Very high	10 Å²	10	42.9 Å²	42.9	8%	0.083	23%	0.232	C	C	.	.	S	Bend	trans	-83.2	82.4	157.6	0	0	0	0	0	108.3	S677 G680 A900	S677-A732 CarbonylContact O-C 3.45Å; S677-A732 WeakPolarHBondContact O-CA 3.47Å; S677-A732 VanDerWaalsContact O-CB 3.31Å; S677-A732 WeakPolarHBondContact O-CB 3.22Å; G680-A732 WeakPolarHBondContact CA-O 3.27Å; A732-A900 HydrophobicContact CB-CB 3.95Å
733	I	95.3	Very high	96.4	Very high	15 Å²	15	39 Å²	39	8%	0.077	21%	0.207	C	C	.	.			trans	-145.6	159.6	-164	60.7	171.8	0	0	0	111.9	S677 H678 F729 G731 M735 V741 M743 V752	S677-I733 PolarHBondContact O-N 3.43Å; H678-I733 PolarHBondContact CD2-O 3.03Å; H678-I733 VanDerWaalsContact CD2-O 3.28Å; H678-I733 CarbonylContact O-C 3.6Å; F729-I733 HydrophobicContact CB-CD1 3.65Å; G731-I733 VanDerWaalsContact C-N 3.33Å; G731-I733 PolarHBondContact O-N 3.28Å; I733-M735 HydrophobicContact CD1-CG 4.46Å; I733-M735 HydrophobicContact CD1-SD 4.32Å; I733-V741 HydrophobicContact CB-CG1 3.71Å; I733-V741 HydrophobicContact CD1-CG1 3.92Å; I733-V741 HydrophobicContact CG1-CG1 4.4Å; I733-V741 HydrophobicContact CG2-CG1 3.47Å; I733-V741 VanDerWaalsContact CG2-CG1 3.47Å; I733-M743 HydrophobicContact CG2-CG 3.94Å; I733-M743 HydrophobicContact CG2-SD 4.04Å; I733-V752 HydrophobicContact CD1-CG1 4.21Å; I733-V752 HydrophobicContact CG2-CG1 4.33Å; I733-V752 HydrophobicContact CG2-CG2 3.6Å
734	Y	96.5	Very high	96.5	Very high	41 Å²	41	38.8 Å²	38.8	16%	0.161	21%	0.205	C	C	.	.	B	Isolated β-bridge	trans	-121.9	157.4	166.1	-173.4	-107.2	0	0	0	111	K648 V651 H678 N736 E742	K648-Y734 HydrophobicContact CG-CE1 4.21Å; K648-Y734 HydrophobicContact CG-CE2 4.16Å; K648-Y734 WeakPolarHBondContact CG-OH 3.23Å; V651-Y734 HydrophobicContact CB-CD1 4.23Å; V651-Y734 HydrophobicContact CG1-CD1 4.02Å; V651-Y734 HydrophobicContact CG2-CD1 4.47Å; V651-Y734 HydrophobicContact CG2-CG 4.29Å; H678-Y734 PolarHBondContact O-N 2.87Å; Y734-N736 WeakPolarHBondContact CE1-OD1 3.24Å; Y734-N736 PolarHBondContact OH-OD1 2.7Å; Y734-E742 PolarHBondContact N-O 2.81Å; Y734-E742 PolarHBondContact O-N 2.83Å
735	M	95.5	Very high	96.4	Very high	54 Å²	54	38.5 Å²	38.5	27%	0.266	20%	0.204	S	C	.	.			trans	-151.2	112.1	-178.3	-65.1	-170.1	81.5	0	0	111	F729 I733 N737 D740 V741	F729-M735 HydrophobicContact CB-SD 3.8Å; F729-M735 HydrophobicContact CD2-CE 3.48Å; F729-M735 VanDerWaalsContact CD2-CE 3.48Å; F729-M735 HydrophobicContact CD2-SD 3.72Å; F729-M735 HydrophobicContact CE2-CE 3.71Å; F729-M735 HydrophobicContact CG-CE 4.01Å; F729-M735 HydrophobicContact CG-SD 3.91Å; F729-M735 HydrophobicContact CZ-CE 4.4Å; I733-M735 HydrophobicContact CD1-CG 4.46Å; I733-M735 HydrophobicContact CD1-SD 4.32Å; M735-N737 WeakPolarHBondContact CE-O 3.43Å; M735-D740 WeakPolarHBondContact CE-O 3.38Å; M735-V741 HydrophobicContact CE-CG2 3.74Å; M735-V741 HydrophobicContact CG-CG2 4.37Å; M735-V741 HydrophobicContact SD-CG2 4.07Å
736	N	92.3	Very high	96.4	Very high	108 Å²	108	32.3 Å²	32.3	58%	0.578	18%	0.181	S	C	*	.	S	Bend	trans	-78	-22	168.2	-73.9	-66.3	0	0	0	113.1	Y734 E742	Y734-N736 WeakPolarHBondContact CE1-OD1 3.24Å; Y734-N736 PolarHBondContact OH-OD1 2.7Å; N736-E742 VanDerWaalsContact CB-OE1 3.28Å; N736-E742 WeakPolarHBondContact CB-OE1 3.29Å; N736-E742 PolarHBondContact N-OE1 2.97Å; N736-E742 VanDerWaalsContact ND2-CD 3.26Å; N736-E742 PolarHBondContact ND2-OE1 2.66Å; N736-E742 PolarHBondContact ND2-OE2 3.48Å
737	N	94.4	Very high	96.3	Very high	65 Å²	65	31.8 Å²	31.8	35%	0.348	18%	0.176	S	C	.	.	S	Bend	trans	-136.2	175	-178.6	80.8	68.4	0	0	0	111.5	M735 T739 D740	M735-N737 WeakPolarHBondContact CE-O 3.43Å; N737-T739 VanDerWaalsContact C-N 3.29Å; N737-T739 PolarHBondContact O-N 3.27Å; N737-T739 WeakPolarHBondContact OD1-CA 3.34Å; N737-T739 PolarHBondContact OD1-N 2.69Å; N737-T739 PolarHBondContact OD1-OG1 3.1Å; N737-D740 PolarHBondContact ND2-OD2 2.84Å; N737-D740 PolarHBondContact OD1-N 2.64Å; N737-D740 PolarHBondContact OD1-OD2 2.81Å
738	T	93.2	Very high	96.2	Very high	116 Å²	116	30.2 Å²	30.2	71%	0.712	17%	0.167	S	C	*	.	S	Bend	trans	-83.5	7.6	-173.8	52	0	0	0	0	115.2
739	T	94.9	Very high	96.1	Very high	50 Å²	50	29.4 Å²	29.4	31%	0.307	16%	0.163	S	C	.	.	S	Bend	trans	-138.9	-26.6	-168.7	62.7	0	0	0	0	116.2	R717 N737	R717-T739 VanDerWaalsContact CZ-OG1 3.24Å; R717-T739 PolarHBondContact NH1-OG1 2.78Å; R717-T739 PolarHBondContact NH2-OG1 2.82Å; N737-T739 VanDerWaalsContact C-N 3.29Å; N737-T739 PolarHBondContact O-N 3.27Å; N737-T739 WeakPolarHBondContact OD1-CA 3.34Å; N737-T739 PolarHBondContact OD1-N 2.69Å; N737-T739 PolarHBondContact OD1-OG1 3.1Å
740	D	97.3	Very high	96	Very high	35 Å²	35	29.7 Å²	29.7	19%	0.187	16%	0.164	C	C	.	.			trans	-106.1	130.8	176	-56	-68.4	0	0	0	109.9	V715 R717 M735 N737	V715-D740 HydrophobicContact CG1-CB 3.94Å; R717-D740 WeakPolarHBondContact CD-OD1 3.46Å; R717-D740 IonicContact CZ-OD1 3.42Å; R717-D740 IonicContact NE-OD1 2.63Å; R717-D740 IonicContact NH1-OD1 3.16Å; R717-D740 PolarHBondContact NH1-OD1 2.84Å; R717-D740 IonicContact NH1-OD2 2.68Å; R717-D740 PolarHBondContact NH1-OD2 3.2Å; M735-D740 WeakPolarHBondContact CE-O 3.38Å; N737-D740 PolarHBondContact ND2-OD2 2.84Å; N737-D740 PolarHBondContact OD1-N 2.64Å; N737-D740 PolarHBondContact OD1-OD2 2.81Å
741	V	98.1	Very high	96	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	111.4	-179.5	174.9	0	0	0	0	108.2	V715 M716 F729 I733 M735	V715-V741 CarbonylContact C-O 3.51Å; V715-V741 WeakPolarHBondContact CA-O 3.47Å; M716-V741 HydrophobicContact CB-CB 4.15Å; M716-V741 HydrophobicContact CE-CB 4.17Å; M716-V741 HydrophobicContact CE-CG1 4.22Å; M716-V741 HydrophobicContact CE-CG2 4.14Å; M716-V741 PolarHBondContact N-O 2.82Å; M716-V741 PolarHBondContact O-N 3.17Å; F729-V741 HydrophobicContact CB-CG2 4.28Å; F729-V741 HydrophobicContact CD1-CG2 3.34Å; F729-V741 HydrophobicContact CD2-CG2 4.44Å; F729-V741 HydrophobicContact CE1-CG2 3.66Å; F729-V741 HydrophobicContact CG-CG2 3.79Å; F729-V741 HydrophobicContact CZ-CG2 4.34Å; I733-V741 HydrophobicContact CB-CG1 3.71Å; I733-V741 HydrophobicContact CD1-CG1 3.92Å; I733-V741 HydrophobicContact CG1-CG1 4.4Å; I733-V741 HydrophobicContact CG2-CG1 3.47Å; I733-V741 VanDerWaalsContact CG2-CG1 3.47Å; M735-V741 HydrophobicContact CE-CG2 3.74Å; M735-V741 HydrophobicContact CG-CG2 4.37Å; M735-V741 HydrophobicContact SD-CG2 4.07Å
742	E	97.9	Very high	96.1	Very high	33 Å²	33	29.1 Å²	29.1	15%	0.154	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	134.8	-174.4	-60.2	167	-118.9	0	0	110	V651 Y734 N736	V651-E742 HydrophobicContact CG1-CB 3.63Å; Y734-E742 PolarHBondContact N-O 2.81Å; Y734-E742 PolarHBondContact O-N 2.83Å; N736-E742 VanDerWaalsContact CB-OE1 3.28Å; N736-E742 WeakPolarHBondContact CB-OE1 3.29Å; N736-E742 PolarHBondContact N-OE1 2.97Å; N736-E742 VanDerWaalsContact ND2-CD 3.26Å; N736-E742 PolarHBondContact ND2-OE1 2.66Å; N736-E742 PolarHBondContact ND2-OE2 3.48Å
743	M	96.9	Very high	96.3	Very high	6 Å²	6	28.6 Å²	28.6	3%	0.03	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	121	-178.2	-66.4	169.6	-69.3	0	0	108.4	A714 M716 I733 A745 V746 V752 L774	A714-M743 HydrophobicContact CB-CB 4.39Å; A714-M743 PolarHBondContact N-O 2.89Å; A714-M743 PolarHBondContact O-N 3.19Å; M716-M743 HydrophobicContact CB-CE 3.81Å; I733-M743 HydrophobicContact CG2-CG 3.94Å; I733-M743 HydrophobicContact CG2-SD 4.04Å; M743-A745 VanDerWaalsContact C-N 3.29Å; M743-A745 PolarHBondContact O-N 3.12Å; M743-V746 HydrophobicContact CE-CB 4.33Å; M743-V746 HydrophobicContact CE-CG2 4.46Å; M743-V746 HydrophobicContact SD-CB 4.02Å; M743-V746 HydrophobicContact SD-CG2 4.07Å; M743-V752 HydrophobicContact SD-CG2 4.3Å; M743-L774 HydrophobicContact CE-CD1 3.81Å
744	A	98.1	Very high	96.5	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	-36.3	-179.8	0	0	0	0	0	112	V651 C655 C656 T679 D713	V651-A744 HydrophobicContact CG2-CB 4.45Å; C655-A744 VanDerWaalsContact C-CB 3.41Å; C655-A744 VanDerWaalsContact O-CB 3.25Å; C655-A744 WeakPolarHBondContact O-CB 3.48Å; C656-A744 HydrophobicContact CB-CB 4.31Å; T679-A744 HydrophobicContact CG2-CB 4.44Å; T679-A744 WeakPolarHBondContact O-CB 3.18Å; T679-A744 PolarHBondContact O-N 3.33Å; T679-A744 VanDerWaalsContact O-N 3.09Å; D713-A744 PolarHBondContact N-O 2.96Å
745	A	97.8	Very high	96.6	Very high	2 Å²	2	26.4 Å²	26.4	2%	0.017	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	163.5	156.2	0	0	0	0	0	111.3	C656 T679 L710 G711 F712 M743	C656-A745 HydrophobicContact CB-CB 3.58Å; T679-A745 PolarHBondContact O-N 3.35Å; L710-A745 HydrophobicContact CD1-CB 4.25Å; G711-A745 CarbonylContact O-C 3.59Å; G711-A745 WeakPolarHBondContact O-CA 3.38Å; G711-A745 WeakPolarHBondContact O-CB 3.48Å; F712-A745 HydrophobicContact CD1-CB 3.74Å; F712-A745 HydrophobicContact CE1-CB 3.75Å; F712-A745 HydrophobicContact CG-CB 4.36Å; F712-A745 HydrophobicContact CZ-CB 4.38Å; M743-A745 VanDerWaalsContact C-N 3.29Å; M743-A745 PolarHBondContact O-N 3.12Å
746	V	97.1	Very high	96.8	Very high	1 Å²	1	24.1 Å²	24.1	1%	0.006	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	119.8	175.7	53.3	0	0	0	0	109	F365 L710 G711 A714 M743 L774	F365-V746 HydrophobicContact CD2-CG1 3.89Å; F365-V746 HydrophobicContact CD2-CG2 4.13Å; F365-V746 HydrophobicContact CE2-CG1 3.76Å; L710-V746 CarbonylContact C-O 3.55Å; L710-V746 WeakPolarHBondContact CA-O 3.46Å; L710-V746 WeakPolarHBondContact CB-O 3.42Å; G711-V746 PolarHBondContact N-O 2.94Å; G711-V746 PolarHBondContact O-N 3.2Å; A714-V746 HydrophobicContact CB-CG1 3.76Å; M743-V746 HydrophobicContact CE-CB 4.33Å; M743-V746 HydrophobicContact CE-CG2 4.46Å; M743-V746 HydrophobicContact SD-CB 4.02Å; M743-V746 HydrophobicContact SD-CG2 4.07Å; V746-L774 HydrophobicContact CG1-CD2 4.18Å
747	D	96.1	Very high	97	Very high	5 Å²	5	22 Å²	22	3%	0.027	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	174.5	-179.6	74.6	28.9	0	0	0	112.9	F365 K708 S709 L710 D749 K750	F365-D747 WeakPolarHBondContact CB-O 3.5Å; K708-D747 HydrophobicContact CB-CB 4.37Å; K708-D747 HydrophobicContact CD-CB 3.94Å; K708-D747 VanDerWaalsContact CD-OD2 3.27Å; K708-D747 WeakPolarHBondContact CD-OD2 3.27Å; K708-D747 WeakPolarHBondContact CE-OD2 3.24Å; K708-D747 IonicContact NZ-OD2 3.96Å; K708-D747 PolarHBondContact NZ-OD2 3.17Å; S709-D747 CarbonylContact O-C 3.58Å; S709-D747 WeakPolarHBondContact O-CA 3.33Å; L710-D747 HydrophobicContact CB-CB 3.88Å; D747-D749 PolarHBondContact O-N 2.69Å; D747-D749 VanDerWaalsContact O-N 3.13Å; D747-D749 WeakPolarHBondContact OD1-CA 3.47Å; D747-D749 WeakPolarHBondContact OD1-CB 3.28Å; D747-D749 PolarHBondContact OD1-N 2.82Å; D747-K750 PolarHBondContact O-N 3.15Å; D747-K750 VanDerWaalsContact OD1-CE 3.31Å; D747-K750 WeakPolarHBondContact OD1-CE 3.47Å; D747-K750 WeakPolarHBondContact OD1-CG 3.44Å; D747-K750 PolarHBondContact OD1-N 2.89Å; D747-K750 WeakPolarHBondContact OD2-CE 3.28Å; D747-K750 IonicContact OD2-NZ 2.89Å
748	C	95.6	Very high	97.2	Very high	11 Å²	11	20.3 Å²	20.3	7%	0.074	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-10.8	-179.3	58.3	0	0	0	0	115.8	K363 F365 K367 S709	K363-C748 WeakPolarHBondContact CE-O 3.46Å; F365-C748 HydrophobicContact CB-CB 4.37Å; F365-C748 VanDerWaalsContact O-CA 3.26Å; F365-C748 WeakPolarHBondContact O-CA 3.49Å; F365-C748 WeakPolarHBondContact O-CB 3.3Å; K367-C748 HydrophobicContact CB-CB 4.47Å; S709-C748 PolarHBondContact O-N 2.75Å
749	D	94.8	Very high	97.2	Very high	35 Å²	35	18.8 Å²	18.8	19%	0.187	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.2	-21.3	-172.9	-52	-30.1	0	0	0	112	K363 K708 D747 P1008	K363-D749 VanDerWaalsContact CE-C 3.41Å; K363-D749 WeakPolarHBondContact CE-O 3.4Å; K708-D749 VanDerWaalsContact CE-OD2 3.28Å; K708-D749 WeakPolarHBondContact CE-OD2 3.47Å; D747-D749 PolarHBondContact O-N 2.69Å; D747-D749 VanDerWaalsContact O-N 3.13Å; D747-D749 WeakPolarHBondContact OD1-CA 3.47Å; D747-D749 WeakPolarHBondContact OD1-CB 3.28Å; D747-D749 PolarHBondContact OD1-N 2.82Å; D749-P1008 HydrophobicContact CB-CB 3.99Å; D749-P1008 WeakPolarHBondContact OD2-CB 3.5Å
750	K	95.9	Very high	97.3	Very high	19 Å²	19	21.7 Å²	21.7	8%	0.083	11%	0.111	C	C	.	.			trans	-72.9	132.6	175	-45.8	-54.5	158.7	165.3	0	112.3	K363 G680 G681 S682 D747 A900	K363-K750 WeakPolarHBondContact CG-O 3.48Å; G680-K750 WeakPolarHBondContact O-CE 3.33Å; G681-K750 VanDerWaalsContact C-NZ 3.27Å; G681-K750 PolarHBondContact O-NZ 2.87Å; S682-K750 PolarHBondContact OG-NZ 3.47Å; D747-K750 PolarHBondContact O-N 3.15Å; D747-K750 VanDerWaalsContact OD1-CE 3.31Å; D747-K750 WeakPolarHBondContact OD1-CE 3.47Å; D747-K750 WeakPolarHBondContact OD1-CG 3.44Å; D747-K750 PolarHBondContact OD1-N 2.89Å; D747-K750 WeakPolarHBondContact OD2-CE 3.28Å; D747-K750 IonicContact OD2-NZ 2.89Å; K750-A900 HydrophobicContact CD-CB 4.16Å
751	A	98.1	Very high	97.3	Very high	1 Å²	1	22.7 Å²	22.7	1%	0.008	12%	0.124	C	C	.	.			trans	-126.3	135.8	168.1	0	0	0	0	0	112.6	I361 I362 K363 K816 A900	I361-A751 HydrophobicContact CG2-CB 4.03Å; I362-A751 CarbonylContact O-C 3.51Å; I362-A751 WeakPolarHBondContact O-CA 3.36Å; I362-A751 WeakPolarHBondContact O-CB 3.42Å; K363-A751 HydrophobicContact CB-CB 3.89Å; K363-A751 HydrophobicContact CD-CB 4.46Å; K363-A751 HydrophobicContact CG-CB 4Å; A751-K816 PolarHBondContact O-NZ 3.15Å; A751-A900 PolarHBondContact N-O 3.09Å
752	V	98.7	Very high	97.2	Very high	4 Å²	4	23.4 Å²	23.4	2%	0.024	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	123.8	174.3	-173.3	0	0	0	0	108.7	I362 M716 I733 M743 V754	I362-V752 PolarHBondContact N-O 3.49Å; I362-V752 PolarHBondContact O-N 2.74Å; M716-V752 HydrophobicContact CE-CB 3.85Å; M716-V752 HydrophobicContact CE-CG1 3.81Å; M716-V752 HydrophobicContact CE-CG2 4.1Å; I733-V752 HydrophobicContact CD1-CG1 4.21Å; I733-V752 HydrophobicContact CG2-CG1 4.33Å; I733-V752 HydrophobicContact CG2-CG2 3.6Å; M743-V752 HydrophobicContact SD-CG2 4.3Å; V752-V754 HydrophobicContact CG1-CG2 4.17Å
753	T	98.8	Very high	97.2	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	130.5	173.9	-51.6	0	0	0	0	108.7	S360 I361 F729 F730 N812 F813 K816	S360-T753 CarbonylContact O-C 3.52Å; S360-T753 WeakPolarHBondContact O-CA 3.24Å; I361-T753 HydrophobicContact CD1-CG2 4.16Å; I361-T753 HydrophobicContact CG1-CG2 3.87Å; F729-T753 CarbonylContact C-O 3.57Å; F730-T753 PolarHBondContact N-O 3.02Å; F730-T753 PolarHBondContact O-N 2.97Å; T753-N812 PolarHBondContact OG1-OD1 2.88Å; T753-F813 HydrophobicContact CG2-CB 4.37Å; T753-F813 HydrophobicContact CG2-CD2 4.38Å; T753-K816 WeakPolarHBondContact OG1-CD 3.23Å; T753-K816 WeakPolarHBondContact OG1-CE 3.34Å; T753-K816 PolarHBondContact OG1-NZ 3.04Å
754	V	98.9	Very high	97.1	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	122.3	-172	-174.5	0	0	0	0	108.9	A359 S360 I362 M716 V718 A726 F729 V752 F756	A359-V754 CarbonylContact C-O 3.53Å; A359-V754 WeakPolarHBondContact CA-O 3.47Å; A359-V754 WeakPolarHBondContact CB-O 3.29Å; S360-V754 PolarHBondContact N-O 3.16Å; S360-V754 PolarHBondContact O-N 3.27Å; I362-V754 HydrophobicContact CD1-CG2 3.85Å; I362-V754 HydrophobicContact CG1-CG2 4.49Å; M716-V754 HydrophobicContact CE-CG2 4.46Å; V718-V754 HydrophobicContact CG2-CG2 4.24Å; A726-V754 HydrophobicContact CB-CG1 3.58Å; F729-V754 HydrophobicContact CD1-CB 4.3Å; F729-V754 HydrophobicContact CD1-CG1 3.86Å; F729-V754 HydrophobicContact CD1-CG2 3.7Å; F729-V754 HydrophobicContact CE1-CB 4.43Å; F729-V754 HydrophobicContact CE1-CG1 3.61Å; F729-V754 HydrophobicContact CE1-CG2 3.98Å; F729-V754 HydrophobicContact CZ-CG1 4.19Å; V752-V754 HydrophobicContact CG1-CG2 4.17Å; V754-F756 HydrophobicContact CB-CZ 4.39Å; V754-F756 HydrophobicContact CG1-CE1 4.06Å; V754-F756 HydrophobicContact CG1-CZ 4.13Å
755	E	98.8	Very high	96.9	Very high	9 Å²	9	35.2 Å²	35.2	4%	0.042	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	139.6	179	-173	174	-166.6	0	0	111.1	A726 T727 D728 F730 K757 F813	A726-E755 WeakPolarHBondContact CA-O 3.15Å; T727-E755 PolarHBondContact N-O 2.87Å; D728-E755 HydrophobicContact CB-CB 4.18Å; D728-E755 PolarHBondContact O-N 3.2Å; F730-E755 HydrophobicContact CE2-CB 4.06Å; E755-K757 VanDerWaalsContact CD-NZ 3.31Å; E755-K757 IonicContact OE1-NZ 2.74Å; E755-K757 PolarHBondContact OE1-NZ 2.96Å; E755-F813 HydrophobicContact CB-CE2 3.99Å; E755-F813 VanDerWaalsContact CD-CE2 3.44Å; E755-F813 HydrophobicContact CG-CE2 3.86Å; E755-F813 HydrophobicContact CG-CZ 4.33Å; E755-F813 WeakPolarHBondContact OE1-CZ 3.38Å
756	F	98.5	Very high	96.7	Very high	6 Å²	6	39 Å²	39	3%	0.026	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	151	-177.7	-56.2	-72.5	0	0	0	112.2	L358 S360 V718 T720 F724 R725 A726 V754 M770	L358-F756 HydrophobicContact CB-CB 4.26Å; L358-F756 PolarHBondContact O-N 3.19Å; S360-F756 WeakPolarHBondContact OG-CE2 3.4Å; S360-F756 WeakPolarHBondContact OG-CZ 3.22Å; V718-F756 HydrophobicContact CG1-CE1 4.13Å; V718-F756 HydrophobicContact CG1-CZ 4.38Å; T720-F756 HydrophobicContact CG2-CD1 4.06Å; T720-F756 HydrophobicContact CG2-CE1 3.88Å; F724-F756 HydrophobicContact CD2-CB 4.06Å; F724-F756 AromaticContact CD2-CD1 3.95Å; F724-F756 HydrophobicContact CD2-CD1 3.95Å; F724-F756 HydrophobicContact CD2-CG 4.06Å; F724-F756 AromaticContact CE2-CD1 3.97Å; F724-F756 HydrophobicContact CE2-CD1 3.97Å; F724-F756 HydrophobicContact CE2-CE1 4.32Å; F724-F756 HydrophobicContact CE2-CG 4.2Å; R725-F756 VanDerWaalsContact O-CA 3.26Å; R725-F756 WeakPolarHBondContact O-CA 3.49Å; A726-F756 HydrophobicContact CB-CD1 4.12Å; A726-F756 HydrophobicContact CB-CE1 4.03Å; V754-F756 HydrophobicContact CB-CZ 4.39Å; V754-F756 HydrophobicContact CG1-CE1 4.06Å; V754-F756 HydrophobicContact CG1-CZ 4.13Å; F756-M770 HydrophobicContact CD2-SD 4.46Å; F756-M770 HydrophobicContact CE1-SD 4.01Å; F756-M770 HydrophobicContact CE2-SD 3.6Å; F756-M770 VanDerWaalsContact CE2-SD 3.6Å; F756-M770 HydrophobicContact CZ-SD 3.34Å; F756-M770 WeakPolarHBondContact CZ-SD 3.43Å
757	K	98.1	Very high	96.7	Very high	64 Å²	64	39.1 Å²	39.1	28%	0.278	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	154.7	168.5	-55.3	-64.7	160.8	-145.4	0	110.2	F724 R725 T727 E755	F724-K757 VanDerWaalsContact CA-O 3.29Å; F724-K757 WeakPolarHBondContact CA-O 3.41Å; F724-K757 WeakPolarHBondContact CB-O 3.36Å; R725-K757 PolarHBondContact N-O 3.27Å; R725-K757 PolarHBondContact O-N 3.31Å; T727-K757 HydrophobicContact CG2-CB 3.79Å; T727-K757 HydrophobicContact CG2-CG 3.54Å; T727-K757 WeakPolarHBondContact OG1-CG 3.39Å; E755-K757 VanDerWaalsContact CD-NZ 3.31Å; E755-K757 IonicContact OE1-NZ 2.74Å; E755-K757 PolarHBondContact OE1-NZ 2.96Å
758	H	98.3	Very high	96.8	Very high	30 Å²	30	38.9 Å²	38.9	14%	0.139	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	135	169.2	-79.8	-91.6	0	0	0	111	P345 A348 G723 D760	P345-H758 PolarHBondContact O-CE1 3.19Å; P345-H758 PolarHBondContact O-NE2 3.34Å; A348-H758 HydrophobicContact CB-CB 3.86Å; G723-H758 WeakPolarHBondContact O-CA 3.47Å; H758-D760 PolarHBondContact ND1-O 2.95Å
759	D	93.7	Very high	96.9	Very high	83 Å²	83	39.5 Å²	39.5	44%	0.444	21%	0.209	S	C	.	.	S	Bend	trans	-103.2	-26.5	163.4	-83.5	-1.1	0	0	0	111.3	G723 R725	G723-D759 PolarHBondContact O-N 3.48Å; R725-D759 VanDerWaalsContact CD-OD2 3.24Å; R725-D759 WeakPolarHBondContact CD-OD2 3.33Å; R725-D759 WeakPolarHBondContact CG-OD1 3.43Å; R725-D759 WeakPolarHBondContact CG-OD2 3.41Å; R725-D759 IonicContact CZ-OD1 3.47Å; R725-D759 IonicContact CZ-OD2 3.64Å; R725-D759 IonicContact NE-OD1 3.39Å; R725-D759 PolarHBondContact NE-OD1 3.04Å; R725-D759 IonicContact NE-OD2 2.92Å; R725-D759 IonicContact NH1-OD1 2.64Å; R725-D759 PolarHBondContact NH1-OD1 3.08Å; R725-D759 IonicContact NH1-OD2 3.26Å; R725-D759 PolarHBondContact NH1-OD2 3.22Å; R725-D759 IonicContact NH2-OD1 2.85Å; R725-D759 PolarHBondContact NH2-OD1 3.33Å
760	D	96.1	Very high	97.1	Very high	112 Å²	112	38 Å²	38	60%	0.599	20%	0.201	S	C	*	.	S	Bend	trans	-155.1	-171.7	176.5	-155.5	-16	0	0	0	109.3	G723 H758	G723-D760 PolarHBondContact O-N 2.75Å; H758-D760 PolarHBondContact ND1-O 2.95Å
761	A	96.5	Very high	97.2	Very high	56 Å²	56	37.1 Å²	37.1	46%	0.463	20%	0.197	S	C	.	.	P	Polyproline II helix	trans	-69.3	151	167.4	0	0	0	0	0	112.2	C346	C346-A761 WeakPolarHBondContact O-CA 3.41Å
762	L	97.5	Very high	97.3	Very high	15 Å²	15	37.1 Å²	37.1	8%	0.079	20%	0.197	C	C	.	.	P	Polyproline II helix	trans	-103.2	150	172.4	-62.2	169.1	0	0	0	110.5	L344 C346 F724 C794	L344-L762 HydrophobicContact CB-CD1 4Å; L344-L762 HydrophobicContact CD1-CD1 3.99Å; C346-L762 PolarHBondContact O-N 3.34Å; F724-L762 HydrophobicContact CB-CD2 4.38Å; F724-L762 HydrophobicContact CD1-CD2 3.76Å; F724-L762 HydrophobicContact CG-CD2 4.42Å; L762-C794 HydrophobicContact CB-CB 4.19Å
763	S	96.3	Very high	97.3	Very high	48 Å²	48	37.1 Å²	37.1	34%	0.336	20%	0.198	S	C	.	.	P	Polyproline II helix	trans	-89.8	126.2	175.4	172	0	0	0	0	111.2	E765 L766 G767 C794	S763-E765 VanDerWaalsContact C-N 3.26Å; S763-E765 PolarHBondContact O-N 3.48Å; S763-E765 PolarHBondContact OG-N 3.4Å; S763-L766 PolarHBondContact OG-N 3.43Å; S763-G767 WeakPolarHBondContact O-CA 3.44Å; S763-G767 PolarHBondContact O-N 3.14Å; S763-C794 WeakPolarHBondContact O-CB 3.18Å
764	E	95.4	Very high	97.2	Very high	79 Å²	79	37.1 Å²	37.1	37%	0.369	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-30	173.7	-173.2	142.6	-163.1	0	0	111.6	R313 C794 T795 S796	R313-E764 PolarHBondContact NH2-O 3.06Å; E764-C794 WeakPolarHBondContact CG-O 3.11Å; E764-T795 WeakPolarHBondContact OE1-CA 3.44Å; E764-T795 PolarHBondContact OE1-OG1 3.12Å; E764-S796 VanDerWaalsContact OE2-CB 3.27Å; E764-S796 WeakPolarHBondContact OE2-CB 3.33Å; E764-S796 PolarHBondContact OE2-N 2.98Å; E764-S796 PolarHBondContact OE2-OG 3.07Å
765	E	95.1	Very high	97.2	Very high	160 Å²	160	38.5 Å²	38.5	75%	0.748	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.3	-50.9	174.9	-176.7	-177.1	-175.5	0	0	112	R313 S763	R313-E765 PolarHBondContact NH1-O 3.41Å; R313-E765 PolarHBondContact NH2-O 2.84Å; S763-E765 VanDerWaalsContact C-N 3.26Å; S763-E765 PolarHBondContact O-N 3.48Å; S763-E765 PolarHBondContact OG-N 3.4Å
766	L	93.3	Very high	97.2	Very high	80 Å²	80	38.4 Å²	38.4	42%	0.419	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-28.7	-176.1	-59.8	177.1	0	0	0	112.8	R313 S763 F769	R313-L766 PolarHBondContact NH1-O 2.7Å; S763-L766 PolarHBondContact OG-N 3.43Å; L766-F769 WeakPolarHBondContact O-CE2 3.41Å; L766-F769 WeakPolarHBondContact O-CZ 3.37Å
767	G	96.1	Very high	97.2	Very high	4 Å²	4	38.2 Å²	38.2	4%	0.041	20%	0.203	C	C	.	.			trans	73.2	-156.9	-170.6	0	0	0	0	0	112.2	S763 L792	S763-G767 WeakPolarHBondContact O-CA 3.44Å; S763-G767 PolarHBondContact O-N 3.14Å; G767-L792 WeakPolarHBondContact CA-O 3.17Å
768	A	98.1	Very high	97.2	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	132.5	178.8	0	0	0	0	0	110.5	L344 F724 S791 L792	L344-A768 HydrophobicContact CD1-CB 3.63Å; L344-A768 HydrophobicContact CG-CB 4.47Å; F724-A768 HydrophobicContact CD1-CB 4.4Å; F724-A768 HydrophobicContact CE1-CB 3.68Å; F724-A768 HydrophobicContact CZ-CB 3.94Å; A768-S791 WeakPolarHBondContact O-CA 3.41Å; A768-L792 HydrophobicContact CB-CB 4.44Å; A768-L792 PolarHBondContact N-O 3.5Å; A768-L792 PolarHBondContact O-N 2.65Å
769	F	98.4	Very high	97.2	Very high	24 Å²	24	35 Å²	35	11%	0.105	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	139.2	-179.6	-56	-79.6	0	0	0	111.1	Y398 F412 T720 S721 L766	Y398-F769 HydrophobicContact CD1-CD1 4.15Å; Y398-F769 HydrophobicContact CD1-CE1 4.15Å; Y398-F769 HydrophobicContact CD2-CB 4.09Å; Y398-F769 AromaticContact CD2-CD1 3.38Å; Y398-F769 HydrophobicContact CD2-CD1 3.38Å; Y398-F769 HydrophobicContact CD2-CE1 4.16Å; Y398-F769 HydrophobicContact CD2-CG 4.05Å; Y398-F769 HydrophobicContact CE2-CB 4.46Å; Y398-F769 AromaticContact CE2-CD1 3.81Å; Y398-F769 HydrophobicContact CE2-CD1 3.81Å; Y398-F769 AromaticContact CG-CD1 3.6Å; Y398-F769 HydrophobicContact CG-CD1 3.6Å; Y398-F769 AromaticContact CG-CE1 3.9Å; Y398-F769 HydrophobicContact CG-CE1 3.9Å; Y398-F769 HydrophobicContact CG-CG 4.48Å; F412-F769 HydrophobicContact CD1-CB 3.99Å; F412-F769 HydrophobicContact CE1-CB 3.65Å; F412-F769 HydrophobicContact CZ-CB 4.11Å; T720-F769 CarbonylContact C-O 3.46Å; T720-F769 VanDerWaalsContact CA-O 3.31Å; T720-F769 WeakPolarHBondContact CA-O 3.42Å; S721-F769 PolarHBondContact N-O 2.79Å; S721-F769 PolarHBondContact OG-N 3.03Å; L766-F769 WeakPolarHBondContact O-CE2 3.41Å; L766-F769 WeakPolarHBondContact O-CZ 3.37Å
770	M	98.2	Very high	97.3	Very high	4 Å²	4	33 Å²	33	2%	0.02	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	142.5	173.6	-60.9	-171	-60.4	0	0	110.2	R719 F724 F756 N789 L790 L792	R719-M770 CarbonylContact O-C 3.55Å; R719-M770 WeakPolarHBondContact O-CA 3.36Å; F724-M770 HydrophobicContact CE2-CG 3.95Å; F724-M770 HydrophobicContact CE2-SD 4.04Å; F724-M770 HydrophobicContact CZ-CG 3.63Å; F724-M770 HydrophobicContact CZ-SD 4.3Å; F756-M770 HydrophobicContact CD2-SD 4.46Å; F756-M770 HydrophobicContact CE1-SD 4.01Å; F756-M770 HydrophobicContact CE2-SD 3.6Å; F756-M770 VanDerWaalsContact CE2-SD 3.6Å; F756-M770 HydrophobicContact CZ-SD 3.34Å; F756-M770 WeakPolarHBondContact CZ-SD 3.43Å; M770-N789 WeakPolarHBondContact O-CA 3.5Å; M770-L790 HydrophobicContact CE-CB 4.36Å; M770-L790 HydrophobicContact CE-CD2 3.86Å; M770-L790 HydrophobicContact CE-CG 4.26Å; M770-L790 PolarHBondContact N-O 2.91Å; M770-L790 PolarHBondContact O-N 2.93Å; M770-L792 HydrophobicContact CE-CD1 3.79Å; M770-L792 HydrophobicContact CE-CG 4.15Å
771	Q	98.8	Very high	97.3	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	106.5	172.3	179.7	178.2	87.2	0	0	108.8	Y394 F412 R719 I787 H788 N789	Y394-Q771 PolarHBondContact O-NE2 2.73Å; F412-Q771 HydrophobicContact CE1-CB 3.86Å; F412-Q771 HydrophobicContact CZ-CB 3.7Å; R719-Q771 HydrophobicContact CB-CB 4.46Å; R719-Q771 PolarHBondContact N-O 2.89Å; R719-Q771 PolarHBondContact O-N 2.92Å; Q771-I787 HydrophobicContact CG-CG2 3.85Å; Q771-H788 WeakPolarHBondContact CA-O 3.45Å; Q771-N789 WeakPolarHBondContact CG-OD1 3.09Å; Q771-N789 PolarHBondContact NE2-OD1 3.44Å
772	C	98.8	Very high	97.3	Very high	2 Å²	2	29.4 Å²	29.4	1%	0.014	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	129.6	162.8	-177.7	0	0	0	0	108.2	I337 I362 M716 I787 H788	I337-C772 HydrophobicContact CD1-CB 4.18Å; I362-C772 HydrophobicContact CD1-CB 4.29Å; I362-C772 HydrophobicContact CG2-CB 4.38Å; M716-C772 VanDerWaalsContact CG-SG 3.55Å; C772-I787 WeakPolarHBondContact O-CA 3.47Å; C772-H788 HydrophobicContact CB-CB 4.31Å; C772-H788 PolarHBondContact N-O 3.46Å; C772-H788 PolarHBondContact O-N 3.27Å
773	A	98.8	Very high	97.3	Very high	4 Å²	4	29.6 Å²	29.6	3%	0.033	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	127.4	170.9	0	0	0	0	0	109.5	Y394 M716 R717 R786 I787	Y394-A773 HydrophobicContact CD2-CB 3.81Å; Y394-A773 HydrophobicContact CE2-CB 3.45Å; Y394-A773 VanDerWaalsContact CE2-CB 3.45Å; M716-A773 CarbonylContact C-O 3.6Å; M716-A773 WeakPolarHBondContact CA-O 3.38Å; R717-A773 PolarHBondContact N-O 2.82Å; R717-A773 PolarHBondContact O-N 2.94Å; R717-A773 VanDerWaalsContact O-N 3.14Å; A773-R786 WeakPolarHBondContact CA-O 3.19Å; A773-I787 HydrophobicContact CB-CD1 3.61Å
774	L	98.7	Very high	97.4	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	105.5	-175.7	176.2	54.7	0	0	0	109.5	P364 F365 A714 M716 M743 V746 L785 R786	P364-L774 HydrophobicContact CB-CD2 3.36Å; P364-L774 HydrophobicContact CG-CD2 3.85Å; F365-L774 HydrophobicContact CD2-CD2 3.9Å; F365-L774 HydrophobicContact CE2-CD2 3.58Å; F365-L774 HydrophobicContact CE2-CG 4.46Å; A714-L774 HydrophobicContact CB-CD1 4.02Å; M716-L774 HydrophobicContact CB-CD1 3.95Å; M743-L774 HydrophobicContact CE-CD1 3.81Å; V746-L774 HydrophobicContact CG1-CD2 4.18Å; L774-L785 CarbonylContact O-C 3.53Å; L774-L785 WeakPolarHBondContact O-CA 3.14Å; L774-R786 HydrophobicContact CB-CB 4.42Å; L774-R786 PolarHBondContact N-O 2.73Å; L774-R786 PolarHBondContact O-N 3.29Å
775	L	98.8	Very high	97.5	Very high	29 Å²	29	25.6 Å²	25.6	15%	0.152	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	130.3	171.4	177.4	65.1	0	0	0	108.6	A451 Y455 A714 V715 R783 R784 L785	A451-L775 HydrophobicContact CB-CD1 4.15Å; Y455-L775 HydrophobicContact CD1-CD1 4.11Å; Y455-L775 HydrophobicContact CD1-CD2 4.29Å; Y455-L775 HydrophobicContact CG-CD1 4.31Å; A714-L775 CarbonylContact C-O 3.58Å; A714-L775 WeakPolarHBondContact CA-O 3.09Å; V715-L775 PolarHBondContact N-O 3.27Å; V715-L775 PolarHBondContact O-N 2.86Å; L775-R783 HydrophobicContact CD1-CG 3.88Å; L775-R784 WeakPolarHBondContact CA-O 3.39Å; L775-L785 HydrophobicContact CB-CD2 3.77Å; L775-L785 HydrophobicContact CB-CG 4.49Å; L775-L785 HydrophobicContact CD1-CD2 4Å; L775-L785 HydrophobicContact CD1-CG 3.83Å; L775-L785 HydrophobicContact CG-CD2 4.47Å
776	Y	98.6	Very high	97.7	Very high	7 Å²	7	19.3 Å²	19.3	3%	0.027	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155	168.9	-179	76	-81.7	0	0	0	112.6	F365 E448 T778 R783 R784 R786	F365-Y776 HydrophobicContact CE1-CE2 4.18Å; F365-Y776 HydrophobicContact CE2-CD1 4.42Å; F365-Y776 HydrophobicContact CE2-CG 4.45Å; F365-Y776 HydrophobicContact CZ-CD1 4.03Å; F365-Y776 AromaticContact CZ-CD2 3.83Å; F365-Y776 HydrophobicContact CZ-CD2 3.83Å; F365-Y776 AromaticContact CZ-CE1 3.82Å; F365-Y776 HydrophobicContact CZ-CE1 3.82Å; F365-Y776 AromaticContact CZ-CE2 3.61Å; F365-Y776 HydrophobicContact CZ-CE2 3.61Å; F365-Y776 HydrophobicContact CZ-CG 4.03Å; F365-Y776 AromaticContact CZ-CZ 3.6Å; E448-Y776 VanDerWaalsContact CD-OH 3.3Å; E448-Y776 PolarHBondContact OE1-OH 3.15Å; E448-Y776 PolarHBondContact OE2-OH 2.76Å; Y776-T778 HydrophobicContact CE2-CG2 3.72Å; Y776-R783 WeakPolarHBondContact O-CA 3.42Å; Y776-R783 WeakPolarHBondContact O-CD 3.5Å; Y776-R784 HydrophobicContact CD1-CB 4.25Å; Y776-R784 HydrophobicContact CE1-CB 3.66Å; Y776-R784 HydrophobicContact CE2-CB 4.47Å; Y776-R784 PolarHBondContact N-O 3.26Å; Y776-R784 PolarHBondContact O-N 3.26Å; Y776-R786 HydrophobicContact CE1-CB 4.2Å
777	T	98.4	Very high	98	Very high	1 Å²	1	15.5 Å²	15.5	1%	0.006	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	130.5	171.6	-61.7	0	0	0	0	110	P462 F712 Q782 R783	P462-T777 HydrophobicContact CB-CG2 3.97Å; P462-T777 HydrophobicContact CG-CG2 3.68Å; F712-T777 PolarHBondContact N-O 3.36Å; F712-T777 PolarHBondContact O-N 2.99Å; T777-Q782 CarbonylContact C-O 3.59Å; T777-Q782 WeakPolarHBondContact CA-O 3.35Å; T777-R783 WeakPolarHBondContact OG1-CD 3.47Å; T777-R783 PolarHBondContact OG1-NH1 2.84Å
778	T	97.7	Very high	98.1	Very high	6 Å²	6	15.3 Å²	15.3	4%	0.037	8%	0.077	C	C	.	.			trans	-76.4	167.5	176.4	76.4	0	0	0	0	112.1	E500 Y776 S780 G781 Q782 R784	E500-T778 VanDerWaalsContact OE1-CB 3.23Å; E500-T778 WeakPolarHBondContact OE1-CB 3.3Å; E500-T778 PolarHBondContact OE1-OG1 3.46Å; Y776-T778 HydrophobicContact CE2-CG2 3.72Å; T778-S780 PolarHBondContact O-N 3.27Å; T778-S780 VanDerWaalsContact O-N 3.07Å; T778-S780 PolarHBondContact OG1-N 2.58Å; T778-S780 PolarHBondContact OG1-OG 3.13Å; T778-G781 PolarHBondContact O-N 2.68Å; T778-Q782 HydrophobicContact CG2-CB 4.05Å; T778-Q782 PolarHBondContact N-O 2.94Å; T778-Q782 PolarHBondContact OG1-N 3.09Å; T778-R784 HydrophobicContact CG2-CG 3.93Å
779	I	97.1	Very high	98.1	Very high	22 Å²	22	15.3 Å²	15.3	11%	0.113	8%	0.077	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-10.4	172.6	59.9	177.7	0	0	0	114.8	P498 E500 I508 F712	P498-I779 HydrophobicContact CB-CD1 4.05Å; E500-I779 HydrophobicContact CG-CD1 4.4Å; E500-I779 HydrophobicContact CG-CG1 4.01Å; I508-I779 HydrophobicContact CD1-CB 4.1Å; I508-I779 HydrophobicContact CD1-CG2 4.02Å; I508-I779 HydrophobicContact CG1-CB 4.34Å; F712-I779 HydrophobicContact CE2-CG2 4.41Å
780	S	96	Very high	98.1	Very high	40 Å²	40	14.8 Å²	14.8	28%	0.28	8%	0.076	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.7	0.2	172.5	71.6	0	0	0	0	114.4	E500 T778 Q782	E500-S780 VanDerWaalsContact OE1-CB 3.26Å; E500-S780 WeakPolarHBondContact OE1-CB 3.4Å; E500-S780 PolarHBondContact OE1-OG 2.8Å; E500-S780 PolarHBondContact OE2-OG 2.72Å; T778-S780 PolarHBondContact O-N 3.27Å; T778-S780 VanDerWaalsContact O-N 3.07Å; T778-S780 PolarHBondContact OG1-N 2.58Å; T778-S780 PolarHBondContact OG1-OG 3.13Å; S780-Q782 WeakPolarHBondContact OG-CG 3.5Å; S780-Q782 PolarHBondContact OG-NE2 2.84Å
781	G	96	Very high	98.1	Very high	11 Å²	11	15 Å²	15	11%	0.113	8%	0.077	C	C	.	.	S	Bend	trans	85.1	16.9	-175.5	0	0	0	0	0	114.7	P462 T778	P462-G781 WeakPolarHBondContact CG-O 3.33Å; T778-G781 PolarHBondContact O-N 2.68Å
782	Q	96.5	Very high	98.1	Very high	81 Å²	81	15.1 Å²	15.1	38%	0.379	8%	0.078	S	C	.	.			trans	-84.8	135.2	172.3	-63.2	163.5	32.3	0	0	110.7	E500 T777 T778 S780 R784	E500-Q782 PolarHBondContact OE2-NE2 3.15Å; T777-Q782 CarbonylContact C-O 3.59Å; T777-Q782 WeakPolarHBondContact CA-O 3.35Å; T778-Q782 HydrophobicContact CG2-CB 4.05Å; T778-Q782 PolarHBondContact N-O 2.94Å; T778-Q782 PolarHBondContact OG1-N 3.09Å; S780-Q782 WeakPolarHBondContact OG-CG 3.5Å; S780-Q782 PolarHBondContact OG-NE2 2.84Å; Q782-R784 HydrophobicContact CB-CG 4.47Å; Q782-R784 VanDerWaalsContact OE1-NE 3.09Å
783	R	97.9	Very high	98.1	Very high	19 Å²	19	17.1 Å²	17.1	7%	0.072	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	126.1	168.5	-157.2	76.6	172.6	147.9	-1.9	109.6	A451 Y455 C456 P462 D713 L775 Y776 T777	A451-R783 HydrophobicContact CB-CB 4.13Å; A451-R783 HydrophobicContact CB-CG 4Å; A451-R783 WeakPolarHBondContact CB-O 3.44Å; A451-R783 PolarHBondContact N-O 3.41Å; A451-R783 VanDerWaalsContact N-O 3.12Å; Y455-R783 PolarHBondContact O-NE 2.84Å; C456-R783 VanDerWaalsContact SG-CB 3.51Å; P462-R783 HydrophobicContact CG-CB 4.46Å; D713-R783 PolarHBondContact O-NH1 2.78Å; D713-R783 PolarHBondContact O-NH2 3.2Å; D713-R783 IonicContact OD2-CZ 3.8Å; D713-R783 IonicContact OD2-NH1 2.68Å; D713-R783 PolarHBondContact OD2-NH1 2.58Å; D713-R783 IonicContact OD2-NH2 2.87Å; D713-R783 PolarHBondContact OD2-NH2 2.89Å; L775-R783 HydrophobicContact CD1-CG 3.88Å; Y776-R783 WeakPolarHBondContact O-CA 3.42Å; Y776-R783 WeakPolarHBondContact O-CD 3.5Å; T777-R783 WeakPolarHBondContact OG1-CD 3.47Å; T777-R783 PolarHBondContact OG1-NH1 2.84Å
784	R	98	Very high	98.1	Very high	42 Å²	42	17.2 Å²	17.2	16%	0.158	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	159.3	-177.8	-66.6	-166	-169.8	174.3	9.4	112.2	E448 F449 E500 L775 Y776 T778 Q782	E448-R784 WeakPolarHBondContact OE2-CD 3.41Å; E448-R784 IonicContact OE2-CZ 3.38Å; E448-R784 IonicContact OE2-NE 3.14Å; E448-R784 IonicContact OE2-NH1 2.67Å; E448-R784 PolarHBondContact OE2-NH1 3.07Å; F449-R784 WeakPolarHBondContact O-CA 3.37Å; E500-R784 IonicContact OE1-NH2 3.47Å; E500-R784 IonicContact OE2-NH2 3.64Å; L775-R784 WeakPolarHBondContact CA-O 3.39Å; Y776-R784 HydrophobicContact CD1-CB 4.25Å; Y776-R784 HydrophobicContact CE1-CB 3.66Å; Y776-R784 HydrophobicContact CE2-CB 4.47Å; Y776-R784 PolarHBondContact N-O 3.26Å; Y776-R784 PolarHBondContact O-N 3.26Å; T778-R784 HydrophobicContact CG2-CG 3.93Å; Q782-R784 HydrophobicContact CB-CG 4.47Å; Q782-R784 VanDerWaalsContact OE1-NE 3.09Å
785	L	98.5	Very high	98.1	Very high	1 Å²	1	17.4 Å²	17.4	1%	0.005	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	102.8	178.1	-89.2	161.6	0	0	0	109.6	P385 Y394 E448 F449 A451 Y455 L774 L775 I787	P385-L785 HydrophobicContact CG-CD1 3.81Å; Y394-L785 HydrophobicContact CE1-CD1 3.84Å; Y394-L785 HydrophobicContact CE2-CD2 4.47Å; Y394-L785 WeakPolarHBondContact OH-CD2 3.47Å; E448-L785 CarbonylContact C-O 3.54Å; E448-L785 VanDerWaalsContact CA-O 3.28Å; E448-L785 WeakPolarHBondContact CA-O 3.26Å; F449-L785 HydrophobicContact CB-CB 4.07Å; F449-L785 PolarHBondContact N-O 3.3Å; F449-L785 PolarHBondContact O-N 2.97Å; A451-L785 HydrophobicContact CB-CD1 4.14Å; A451-L785 HydrophobicContact CB-CG 4.31Å; Y455-L785 HydrophobicContact CD1-CD1 3.92Å; Y455-L785 HydrophobicContact CE1-CD1 3.61Å; Y455-L785 HydrophobicContact CE2-CD1 4.43Å; Y455-L785 HydrophobicContact CG-CD1 4.44Å; L774-L785 CarbonylContact O-C 3.53Å; L774-L785 WeakPolarHBondContact O-CA 3.14Å; L775-L785 HydrophobicContact CB-CD2 3.77Å; L775-L785 HydrophobicContact CB-CG 4.49Å; L775-L785 HydrophobicContact CD1-CD2 4Å; L775-L785 HydrophobicContact CD1-CG 3.83Å; L775-L785 HydrophobicContact CG-CD2 4.47Å; L785-I787 HydrophobicContact CB-CD1 4.43Å
786	R	98.8	Very high	98	Very high	29 Å²	29	19.4 Å²	19.4	11%	0.109	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	129.9	171.9	-174.7	171.2	-65.6	-163.6	-1.2	110.1	P364 L375 E448 A773 L774 Y776 H788	P364-R786 WeakPolarHBondContact O-CD 3.41Å; P364-R786 PolarHBondContact O-NH1 2.68Å; L375-R786 HydrophobicContact CD1-CG 4.19Å; E448-R786 HydrophobicContact CG-CB 4.31Å; E448-R786 HydrophobicContact CG-CG 4.35Å; E448-R786 IonicContact OE1-CZ 3.3Å; E448-R786 VanDerWaalsContact OE1-CZ 3.24Å; E448-R786 IonicContact OE1-NE 3.46Å; E448-R786 PolarHBondContact OE1-NE 3.31Å; E448-R786 IonicContact OE1-NH2 2.72Å; E448-R786 PolarHBondContact OE1-NH2 3.44Å; A773-R786 WeakPolarHBondContact CA-O 3.19Å; L774-R786 HydrophobicContact CB-CB 4.42Å; L774-R786 PolarHBondContact N-O 2.73Å; L774-R786 PolarHBondContact O-N 3.29Å; Y776-R786 HydrophobicContact CE1-CB 4.2Å; R786-H788 WeakPolarHBondContact CD-NE2 3.46Å
787	I	98.9	Very high	97.8	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	134.5	-178	-47.5	-61.8	0	0	0	109.2	Y394 S446 Y447 F449 Q771 C772 A773 L785	Y394-I787 HydrophobicContact CD2-CD1 3.64Å; Y394-I787 HydrophobicContact CE2-CD1 4.02Å; Y394-I787 HydrophobicContact CG-CD1 3.93Å; S446-I787 WeakPolarHBondContact CA-O 3.4Å; Y447-I787 HydrophobicContact CD2-CB 4.25Å; Y447-I787 HydrophobicContact CD2-CG1 4.35Å; Y447-I787 HydrophobicContact CE2-CB 3.84Å; Y447-I787 HydrophobicContact CE2-CG1 3.91Å; Y447-I787 HydrophobicContact CE2-CG2 4.2Å; Y447-I787 PolarHBondContact N-O 2.9Å; Y447-I787 PolarHBondContact O-N 2.89Å; F449-I787 HydrophobicContact CD2-CD1 4.31Å; F449-I787 HydrophobicContact CD2-CG1 3.8Å; F449-I787 HydrophobicContact CE2-CG1 4.01Å; Q771-I787 HydrophobicContact CG-CG2 3.85Å; C772-I787 WeakPolarHBondContact O-CA 3.47Å; A773-I787 HydrophobicContact CB-CD1 3.61Å; L785-I787 HydrophobicContact CB-CD1 4.43Å
788	H	98.9	Very high	97.7	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	118.9	169.1	-58.2	-72.3	0	0	0	109.5	A332 F336 I337 P364 G445 S446 Q771 C772 R786	A332-H788 HydrophobicContact CB-CB 3.94Å; F336-H788 AromaticContact CD1-CE1 3.43Å; F336-H788 VanDerWaalsContact CD1-CE1 3.43Å; F336-H788 WeakPolarHBondContact CD1-CE1 3.33Å; F336-H788 AromaticContact CD1-NE2 3.93Å; F336-H788 AromaticContact CD2-CE1 3.48Å; F336-H788 VanDerWaalsContact CD2-CE1 3.48Å; F336-H788 WeakPolarHBondContact CD2-CE1 3.45Å; F336-H788 AromaticContact CD2-ND1 3.53Å; F336-H788 AromaticContact CE1-CE1 3.8Å; F336-H788 AromaticContact CE2-CE1 3.84Å; F336-H788 AromaticContact CG-CE1 3.27Å; F336-H788 WeakPolarHBondContact CG-CE1 3.42Å; F336-H788 AromaticContact CG-ND1 3.56Å; F336-H788 AromaticContact CZ-CE1 3.99Å; I337-H788 HydrophobicContact CD1-CB 3.7Å; I337-H788 HydrophobicContact CG1-CB 4.3Å; P364-H788 PolarHBondContact O-NE2 3.38Å; G445-H788 WeakPolarHBondContact O-CA 3.31Å; S446-H788 WeakPolarHBondContact CB-ND1 3.38Å; S446-H788 PolarHBondContact OG-ND1 2.79Å; S446-H788 VanDerWaalsContact OG-ND1 3.16Å; Q771-H788 WeakPolarHBondContact CA-O 3.45Å; C772-H788 HydrophobicContact CB-CB 4.31Å; C772-H788 PolarHBondContact N-O 3.46Å; C772-H788 PolarHBondContact O-N 3.27Å; R786-H788 WeakPolarHBondContact CD-NE2 3.46Å
789	N	98.9	Very high	97.6	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	134.5	-179.3	-54.8	-85.1	0	0	0	109.7	A332 C396 Y398 G445 Y447 M770 Q771	A332-N789 WeakPolarHBondContact CB-O 3.49Å; A332-N789 PolarHBondContact N-O 3.19Å; C396-N789 WeakPolarHBondContact CB-OD1 3.42Å; Y398-N789 HydrophobicContact CD2-CB 4.49Å; Y398-N789 HydrophobicContact CE2-CB 3.68Å; Y398-N789 PolarHBondContact OH-O 2.74Å; G445-N789 PolarHBondContact O-N 2.87Å; G445-N789 PolarHBondContact O-ND2 2.73Å; Y447-N789 VanDerWaalsContact CE1-ND2 3.31Å; Y447-N789 WeakPolarHBondContact CE1-ND2 3.47Å; Y447-N789 PolarHBondContact OH-ND2 2.69Å; M770-N789 WeakPolarHBondContact O-CA 3.5Å; Q771-N789 WeakPolarHBondContact CG-OD1 3.09Å; Q771-N789 PolarHBondContact NE2-OD1 3.44Å
790	L	98.8	Very high	97.5	Very high	13 Å²	13	28.2 Å²	28.2	7%	0.068	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	132.6	175.5	-178.9	57.3	0	0	0	110.4	N331 I337 Y398 M770 L792	N331-L790 HydrophobicContact CB-CD1 3.98Å; I337-L790 HydrophobicContact CB-CD2 4.26Å; I337-L790 HydrophobicContact CG2-CD2 3.65Å; Y398-L790 VanDerWaalsContact OH-C 3.27Å; Y398-L790 VanDerWaalsContact OH-CA 3.25Å; Y398-L790 WeakPolarHBondContact OH-CA 3.47Å; Y398-L790 PolarHBondContact OH-N 2.84Å; M770-L790 HydrophobicContact CE-CB 4.36Å; M770-L790 HydrophobicContact CE-CD2 3.86Å; M770-L790 HydrophobicContact CE-CG 4.26Å; M770-L790 PolarHBondContact N-O 2.91Å; M770-L790 PolarHBondContact O-N 2.93Å; L790-L792 HydrophobicContact CD1-CD2 4.33Å; L790-L792 HydrophobicContact CD2-CD2 3.97Å; L790-L792 HydrophobicContact CG-CD2 3.87Å
791	S	98.4	Very high	97.5	Very high	8 Å²	8	26.3 Å²	26.3	6%	0.056	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	125	173.8	68.1	0	0	0	0	110.4	G314 N331 Y398 A768	G314-S791 PolarHBondContact N-O 3.17Å; N331-S791 WeakPolarHBondContact OD1-CB 3.24Å; N331-S791 PolarHBondContact OD1-N 2.76Å; N331-S791 PolarHBondContact OD1-OG 3.38Å; Y398-S791 PolarHBondContact OH-N 3.17Å; A768-S791 WeakPolarHBondContact O-CA 3.41Å
792	L	98.5	Very high	97.5	Very high	3 Å²	3	25.8 Å²	25.8	2%	0.016	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	155.8	178.6	-56.8	-173.2	0	0	0	110.2	R313 Y342 L344 G767 A768 M770 L790	R313-L792 WeakPolarHBondContact CD-O 3.46Å; R313-L792 WeakPolarHBondContact CG-O 3.39Å; Y342-L792 HydrophobicContact CD1-CD2 3.93Å; L344-L792 HydrophobicContact CD1-CD1 4.34Å; L344-L792 HydrophobicContact CD2-CD1 4.01Å; L344-L792 HydrophobicContact CG-CD1 4.06Å; G767-L792 WeakPolarHBondContact CA-O 3.17Å; A768-L792 HydrophobicContact CB-CB 4.44Å; A768-L792 PolarHBondContact N-O 3.5Å; A768-L792 PolarHBondContact O-N 2.65Å; M770-L792 HydrophobicContact CE-CD1 3.79Å; M770-L792 HydrophobicContact CE-CG 4.15Å; L790-L792 HydrophobicContact CD1-CD2 4.33Å; L790-L792 HydrophobicContact CD2-CD2 3.97Å; L790-L792 HydrophobicContact CG-CD2 3.87Å
793	N	98.4	Very high	97.5	Very high	44 Å²	44	28.1 Å²	28.1	24%	0.235	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	162.4	166.8	-71.5	-44.5	0	0	0	110.1	R313 G314 Y342 S343 L344	R313-N793 PolarHBondContact NE-OD1 2.65Å; R313-N793 PolarHBondContact O-ND2 3.22Å; R313-N793 PolarHBondContact O-OD1 3.11Å; G314-N793 WeakPolarHBondContact CA-ND2 3.15Å; Y342-N793 PolarHBondContact O-N 3.26Å; S343-N793 CarbonylContact C-O 3.51Å; S343-N793 WeakPolarHBondContact CA-O 3.28Å; L344-N793 PolarHBondContact N-O 3.25Å
794	C	98.3	Very high	97.5	Very high	5 Å²	5	28.3 Å²	28.3	3%	0.034	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	147.8	166.6	-66.4	0	0	0	0	107.6	L344 L762 S763 E764	L344-C794 CarbonylContact O-C 3.44Å; L344-C794 VanDerWaalsContact O-CA 3.23Å; L344-C794 WeakPolarHBondContact O-CA 3.28Å; L762-C794 HydrophobicContact CB-CB 4.19Å; S763-C794 WeakPolarHBondContact O-CB 3.18Å; E764-C794 WeakPolarHBondContact CG-O 3.11Å
795	T	97.8	Very high	97.5	Very high	4 Å²	4	26.6 Å²	26.6	3%	0.025	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	141.2	178.1	-169.7	0	0	0	0	114.1	S343 L344 P345 C346 L350 E764 Q797 E800 M801	S343-T795 WeakPolarHBondContact OG-CG2 3.31Å; L344-T795 PolarHBondContact O-N 3.4Å; P345-T795 CarbonylContact C-O 3.58Å; P345-T795 WeakPolarHBondContact CA-O 3.43Å; C346-T795 PolarHBondContact N-O 3.2Å; C346-T795 PolarHBondContact SG-N 3.49Å; C346-T795 VanDerWaalsContact SG-N 3.36Å; L350-T795 WeakPolarHBondContact CD2-O 3.4Å; E764-T795 WeakPolarHBondContact OE1-CA 3.44Å; E764-T795 PolarHBondContact OE1-OG1 3.12Å; T795-Q797 VanDerWaalsContact C-N 3.28Å; T795-Q797 WeakPolarHBondContact CG2-O 3.3Å; T795-Q797 PolarHBondContact OG1-N 3.13Å; T795-E800 HydrophobicContact CG2-CB 4.29Å; T795-M801 HydrophobicContact CG2-CB 3.89Å
796	S	96.9	Very high	97.5	Very high	71 Å²	71	26.9 Å²	26.9	50%	0.497	14%	0.141	S	C	.	.	S	Bend	trans	-78.1	-8.6	167.1	50.8	0	0	0	0	113.5	E764	E764-S796 VanDerWaalsContact OE2-CB 3.27Å; E764-S796 WeakPolarHBondContact OE2-CB 3.33Å; E764-S796 PolarHBondContact OE2-N 2.98Å; E764-S796 PolarHBondContact OE2-OG 3.07Å
797	Q	96	Very high	97.5	Very high	105 Å²	105	25.9 Å²	25.9	49%	0.491	14%	0.138	S	C	.	.			trans	-111.5	121.3	-171.9	-63.7	179.9	67.2	0	0	112.5	T795 S799 E800 M801	T795-Q797 VanDerWaalsContact C-N 3.28Å; T795-Q797 WeakPolarHBondContact CG2-O 3.3Å; T795-Q797 PolarHBondContact OG1-N 3.13Å; Q797-S799 PolarHBondContact O-N 2.86Å; Q797-E800 HydrophobicContact CB-CG 4.32Å; Q797-E800 PolarHBondContact O-N 2.56Å; Q797-M801 PolarHBondContact O-N 3Å
798	L	95.7	Very high	97.5	Very high	16 Å²	16	26 Å²	26	8%	0.084	14%	0.139	C	C	.	.	H	α-helix	trans	-58.1	-34.6	178.1	-71.9	177	0	0	0	113.1	L350 Q353 C354 E800 M801 Y802 N848 C849	L350-L798 HydrophobicContact CD1-CD1 4.41Å; L350-L798 HydrophobicContact CD1-CD2 3.58Å; L350-L798 HydrophobicContact CD1-CG 3.73Å; L350-L798 HydrophobicContact CG-CD2 3.9Å; Q353-L798 HydrophobicContact CG-CD1 4.47Å; C354-L798 HydrophobicContact CB-CD2 3.82Å; L798-E800 VanDerWaalsContact C-N 3.32Å; L798-E800 PolarHBondContact O-N 3.32Å; L798-M801 HydrophobicContact CD2-CE 4.46Å; L798-M801 HydrophobicContact CD2-SD 4.41Å; L798-M801 PolarHBondContact O-N 3.2Å; L798-Y802 HydrophobicContact CB-CD2 4.27Å; L798-Y802 HydrophobicContact CB-CE2 4.24Å; L798-Y802 HydrophobicContact CD2-CE2 4.45Å; L798-Y802 WeakPolarHBondContact O-CD2 3.43Å; L798-Y802 PolarHBondContact O-N 3.13Å; L798-N848 HydrophobicContact CD1-CB 3.74Å; L798-C849 VanDerWaalsContact CB-SG 3.52Å
799	S	95.4	Very high	97.5	Very high	36 Å²	36	26 Å²	26	25%	0.252	14%	0.139	S	C	.	.	H	α-helix	trans	-58.9	-42.7	-179.3	55.5	0	0	0	0	112.4	Q797 K803	Q797-S799 PolarHBondContact O-N 2.86Å; S799-K803 WeakPolarHBondContact O-CD 3.45Å; S799-K803 VanDerWaalsContact O-CG 3.29Å; S799-K803 WeakPolarHBondContact O-CG 3Å; S799-K803 PolarHBondContact O-N 3.4Å; S799-K803 VanDerWaalsContact O-N 3.08Å
800	E	94.4	Very high	97.5	Very high	64 Å²	64	26 Å²	26	30%	0.299	14%	0.139	S	C	.	.	H	α-helix	trans	-76.9	-36	-178.7	-50.7	-40.1	107.2	0	0	111.3	T795 Q797 L798 K803 C804	T795-E800 HydrophobicContact CG2-CB 4.29Å; Q797-E800 HydrophobicContact CB-CG 4.32Å; Q797-E800 PolarHBondContact O-N 2.56Å; L798-E800 VanDerWaalsContact C-N 3.32Å; L798-E800 PolarHBondContact O-N 3.32Å; E800-K803 PolarHBondContact O-N 3.2Å; E800-K803 IonicContact OE1-NZ 2.66Å; E800-K803 PolarHBondContact OE1-NZ 3.09Å; E800-K803 VanDerWaalsContact OE2-CD 3.23Å; E800-K803 WeakPolarHBondContact OE2-CD 3.29Å; E800-K803 IonicContact OE2-NZ 3.75Å; E800-K803 PolarHBondContact OE2-NZ 3.19Å; E800-C804 PolarHBondContact O-N 2.99Å; E800-C804 VanDerWaalsContact O-N 3.16Å; E800-C804 PolarHBondContact O-SG 3.41Å
801	M	95.6	Very high	97.5	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-60	-47.3	172	-173.9	-140.8	68.3	0	0	111.4	T341 S343 C354 V356 T795 Q797 L798 C804 C805	T341-M801 PolarHBondContact OG1-O 3.31Å; S343-M801 WeakPolarHBondContact O-CG 3.36Å; C354-M801 HydrophobicContact CB-CE 3.82Å; C354-M801 HydrophobicContact CB-SD 3.92Å; C354-M801 VanDerWaalsContact SG-SD 3.64Å; V356-M801 HydrophobicContact CB-CE 4.22Å; V356-M801 HydrophobicContact CG2-CE 3.69Å; T795-M801 HydrophobicContact CG2-CB 3.89Å; Q797-M801 PolarHBondContact O-N 3Å; L798-M801 HydrophobicContact CD2-CE 4.46Å; L798-M801 HydrophobicContact CD2-SD 4.41Å; L798-M801 PolarHBondContact O-N 3.2Å; M801-C804 PolarHBondContact O-N 2.81Å; M801-C805 PolarHBondContact O-SG 2.67Å
802	Y	97.4	Very high	97.5	Very high	1 Å²	1	25.1 Å²	25.1	0%	0.004	13%	0.133	C	C	.	.	H	α-helix	trans	-66	-39.4	177.6	-79.9	-68.3	0	0	0	112.5	C354 V356 L798 C804 C805 M841 Y845 P861 S863 M864	C354-Y802 PolarHBondContact O-OH 2.98Å; V356-Y802 HydrophobicContact CG2-CD1 4.37Å; V356-Y802 HydrophobicContact CG2-CE1 3.68Å; L798-Y802 HydrophobicContact CB-CD2 4.27Å; L798-Y802 HydrophobicContact CB-CE2 4.24Å; L798-Y802 HydrophobicContact CD2-CE2 4.45Å; L798-Y802 WeakPolarHBondContact O-CD2 3.43Å; L798-Y802 PolarHBondContact O-N 3.13Å; Y802-C804 PolarHBondContact O-N 2.86Å; Y802-C805 PolarHBondContact O-N 3.39Å; Y802-M841 PolarHBondContact OH-O 2.73Å; Y802-M841 VanDerWaalsContact OH-O 3.04Å; Y802-Y845 HydrophobicContact CD1-CD2 4.38Å; Y802-Y845 AromaticContact CD2-CD2 3.66Å; Y802-Y845 HydrophobicContact CD2-CD2 3.66Å; Y802-Y845 HydrophobicContact CD2-CG 4.47Å; Y802-Y845 HydrophobicContact CE2-CD2 4.24Å; Y802-Y845 AromaticContact CG-CD2 3.77Å; Y802-Y845 HydrophobicContact CG-CD2 3.77Å; Y802-P861 HydrophobicContact CD1-CG 4.11Å; Y802-P861 HydrophobicContact CG-CG 4.49Å; Y802-S863 WeakPolarHBondContact O-CB 3.38Å; Y802-S863 PolarHBondContact O-OG 2.72Å; Y802-M864 HydrophobicContact CD1-CE 3.8Å; Y802-M864 HydrophobicContact CD1-SD 4.03Å; Y802-M864 HydrophobicContact CE1-CE 3.95Å; Y802-M864 HydrophobicContact CE1-SD 4.16Å
803	K	96.9	Very high	97.5	Very high	130 Å²	130	25 Å²	25	57%	0.565	13%	0.133	S	C	*	.	H	α-helix	trans	-57.7	-34.8	174	-77.2	162.5	174.5	168.1	0	112.7	S799 E800	S799-K803 WeakPolarHBondContact O-CD 3.45Å; S799-K803 VanDerWaalsContact O-CG 3.29Å; S799-K803 WeakPolarHBondContact O-CG 3Å; S799-K803 PolarHBondContact O-N 3.4Å; S799-K803 VanDerWaalsContact O-N 3.08Å; E800-K803 PolarHBondContact O-N 3.2Å; E800-K803 IonicContact OE1-NZ 2.66Å; E800-K803 PolarHBondContact OE1-NZ 3.09Å; E800-K803 VanDerWaalsContact OE2-CD 3.23Å; E800-K803 WeakPolarHBondContact OE2-CD 3.29Å; E800-K803 IonicContact OE2-NZ 3.75Å; E800-K803 PolarHBondContact OE2-NZ 3.19Å
804	C	97.6	Very high	97.5	Very high	22 Å²	22	22.9 Å²	22.9	15%	0.149	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.4	5.4	-175.8	-59.9	0	0	0	0	114.7	V316 T341 Y342 E800 M801 Y802	V316-C804 HydrophobicContact CG2-CB 4.2Å; T341-C804 VanDerWaalsContact CA-O 3.29Å; T341-C804 WeakPolarHBondContact CA-O 3.27Å; T341-C804 PolarHBondContact OG1-O 2.78Å; Y342-C804 PolarHBondContact N-O 3.48Å; E800-C804 PolarHBondContact O-N 2.99Å; E800-C804 VanDerWaalsContact O-N 3.16Å; E800-C804 PolarHBondContact O-SG 3.41Å; M801-C804 PolarHBondContact O-N 2.81Å; Y802-C804 PolarHBondContact O-N 2.86Å
805	C	98.4	Very high	97.5	Very high	6 Å²	6	22.8 Å²	22.8	4%	0.041	12%	0.121	C	C	.	.	B	Isolated β-bridge	trans	-75.1	150.1	178.9	-69	0	0	0	0	113.5	T340 M801 Y802 L810 S863 M864	T340-C805 VanDerWaalsContact O-CA 3.28Å; T340-C805 WeakPolarHBondContact O-CA 3.39Å; M801-C805 PolarHBondContact O-SG 2.67Å; Y802-C805 PolarHBondContact O-N 3.39Å; C805-L810 HydrophobicContact CB-CD1 4.19Å; C805-S863 VanDerWaalsContact O-CB 3.31Å; C805-S863 WeakPolarHBondContact O-CB 3.12Å; C805-M864 HydrophobicContact CB-CE 3.91Å
806	E	98.4	Very high	97.6	Very high	7 Å²	7	22.6 Å²	22.6	3%	0.033	12%	0.12	C	C	.	.			trans	-121.4	112.8	176.3	-167.5	-166.8	107.1	0	0	110.3	R338 C339 T340 Y342 D808 S809 L810	R338-E806 IonicContact CZ-OE2 3.86Å; R338-E806 IonicContact NH1-OE1 2.87Å; R338-E806 IonicContact NH1-OE2 3.96Å; R338-E806 PolarHBondContact NH1-OE2 3.47Å; C339-E806 WeakPolarHBondContact O-CB 3.45Å; T340-E806 PolarHBondContact O-N 2.93Å; Y342-E806 HydrophobicContact CE2-CB 4.08Å; Y342-E806 WeakPolarHBondContact CE2-OE2 3.42Å; Y342-E806 PolarHBondContact OH-OE2 3.41Å; E806-D808 PolarHBondContact O-N 2.86Å; E806-S809 PolarHBondContact O-N 2.88Å; E806-S809 VanDerWaalsContact OE1-CB 3.3Å; E806-S809 WeakPolarHBondContact OE1-CB 3.29Å; E806-S809 PolarHBondContact OE1-N 2.98Å; E806-S809 PolarHBondContact OE1-OG 3.48Å; E806-L810 WeakPolarHBondContact O-CG 3.16Å; E806-L810 PolarHBondContact O-N 2.86Å
807	T	98.5	Very high	97.7	Very high	8 Å²	8	19.5 Å²	19.5	5%	0.049	10%	0.098	C	C	.	.	H	α-helix	trans	-62	-40	-174.6	-80	0	0	0	0	113.3	L810 I811 S863 V866 F867 Y870	T807-L810 WeakPolarHBondContact O-CB 3.35Å; T807-L810 PolarHBondContact O-N 3.02Å; T807-I811 PolarHBondContact O-N 3.02Å; T807-S863 PolarHBondContact OG1-O 3.08Å; T807-V866 HydrophobicContact CG2-CG2 4.22Å; T807-F867 HydrophobicContact CG2-CB 4.09Å; T807-F867 HydrophobicContact CG2-CD2 4.35Å; T807-Y870 HydrophobicContact CG2-CD2 3.4Å; T807-Y870 VanDerWaalsContact CG2-CD2 3.4Å; T807-Y870 HydrophobicContact CG2-CE2 3.69Å; T807-Y870 HydrophobicContact CG2-CG 4.45Å
808	D	98.4	Very high	97.8	Very high	4 Å²	4	14.5 Å²	14.5	2%	0.021	7%	0.074	C	C	.	.	H	α-helix	trans	-68.2	-41.8	-177	-53.9	-41.8	0	0	0	110.8	V320 E806 I811 N812 Y870 V903 Q907	V320-D808 HydrophobicContact CG2-CB 4.17Å; E806-D808 PolarHBondContact O-N 2.86Å; D808-I811 WeakPolarHBondContact O-CG2 3.43Å; D808-I811 PolarHBondContact O-N 2.87Å; D808-N812 PolarHBondContact O-N 2.85Å; D808-Y870 WeakPolarHBondContact OD1-CE2 3.43Å; D808-Y870 PolarHBondContact OD1-OH 3.01Å; D808-V903 HydrophobicContact CB-CG1 3.49Å; D808-V903 VanDerWaalsContact CB-CG1 3.49Å; D808-Q907 HydrophobicContact CB-CB 4.46Å; D808-Q907 HydrophobicContact CB-CG 4.37Å
809	S	98.8	Very high	97.9	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-63.8	-38.9	170.5	-77.1	0	0	0	0	112.9	R338 E806 N812 F813	R338-S809 WeakPolarHBondContact CB-OG 3.39Å; E806-S809 PolarHBondContact O-N 2.88Å; E806-S809 VanDerWaalsContact OE1-CB 3.3Å; E806-S809 WeakPolarHBondContact OE1-CB 3.29Å; E806-S809 PolarHBondContact OE1-N 2.98Å; E806-S809 PolarHBondContact OE1-OG 3.48Å; S809-N812 PolarHBondContact O-N 3.14Å; S809-F813 PolarHBondContact O-N 2.89Å; S809-F813 VanDerWaalsContact O-N 3.17Å
810	L	98.8	Very high	97.9	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-59.9	-47.1	174.6	-78	164.6	0	0	0	111.7	T340 V356 P357 C805 E806 T807 F813 F814 M864 F867	T340-L810 HydrophobicContact CG2-CD2 3.95Å; T340-L810 HydrophobicContact CG2-CG 4.29Å; V356-L810 HydrophobicContact CG1-CD2 4.08Å; P357-L810 HydrophobicContact CG-CD2 3.72Å; C805-L810 HydrophobicContact CB-CD1 4.19Å; E806-L810 WeakPolarHBondContact O-CG 3.16Å; E806-L810 PolarHBondContact O-N 2.86Å; T807-L810 WeakPolarHBondContact O-CB 3.35Å; T807-L810 PolarHBondContact O-N 3.02Å; L810-F813 PolarHBondContact O-N 2.83Å; L810-F814 HydrophobicContact CD2-CE2 4.38Å; L810-F814 WeakPolarHBondContact O-CD2 3.34Å; L810-F814 PolarHBondContact O-N 3.23Å; L810-M864 HydrophobicContact CD1-CE 3.83Å; L810-F867 HydrophobicContact CB-CD2 4.22Å; L810-F867 HydrophobicContact CB-CE2 4Å
811	I	98.5	Very high	98	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-71.4	-31.7	-178.8	-159.6	73.5	0	0	0	112.6	T807 D808 F813 F814 A815 Y870 M871 L874 L910	T807-I811 PolarHBondContact O-N 3.02Å; D808-I811 WeakPolarHBondContact O-CG2 3.43Å; D808-I811 PolarHBondContact O-N 2.87Å; I811-F813 PolarHBondContact O-N 2.9Å; I811-F814 HydrophobicContact CD1-CB 4.45Å; I811-F814 PolarHBondContact O-N 2.95Å; I811-A815 VanDerWaalsContact O-CB 3.3Å; I811-A815 WeakPolarHBondContact O-CB 3.39Å; I811-A815 PolarHBondContact O-N 2.91Å; I811-Y870 HydrophobicContact CG2-CD1 4.46Å; I811-Y870 HydrophobicContact CG2-CG 4.44Å; I811-M871 HydrophobicContact CD1-CB 4.44Å; I811-M871 HydrophobicContact CD1-CE 3.96Å; I811-M871 HydrophobicContact CD1-SD 4.37Å; I811-L874 HydrophobicContact CD1-CB 4.13Å; I811-L874 HydrophobicContact CD1-CD2 3.86Å; I811-L874 HydrophobicContact CG1-CD2 4.48Å; I811-L910 HydrophobicContact CB-CD1 4.41Å; I811-L910 HydrophobicContact CG1-CD1 3.46Å; I811-L910 VanDerWaalsContact CG1-CD1 3.46Å; I811-L910 HydrophobicContact CG2-CD1 4.13Å
812	N	98.8	Very high	98	Very high	1 Å²	1	13 Å²	13	1%	0.005	6%	0.06	C	C	.	.	H	α-helix	trans	-57	-48.6	170.2	-175.2	-79.7	0	0	0	111.4	I361 T753 D808 S809 A815 K816 M901 G902 S906	I361-N812 HydrophobicContact CG1-CB 4.05Å; I361-N812 VanDerWaalsContact CG1-OD1 3.32Å; I361-N812 WeakPolarHBondContact CG1-OD1 3.41Å; T753-N812 PolarHBondContact OG1-OD1 2.88Å; D808-N812 PolarHBondContact O-N 2.85Å; S809-N812 PolarHBondContact O-N 3.14Å; N812-A815 PolarHBondContact O-N 2.86Å; N812-K816 WeakPolarHBondContact O-CG 3.28Å; N812-K816 PolarHBondContact O-N 3.26Å; N812-K816 VanDerWaalsContact O-N 3.15Å; N812-K816 WeakPolarHBondContact OD1-CE 3.25Å; N812-M901 PolarHBondContact ND2-O 3.49Å; N812-G902 PolarHBondContact ND2-O 3.33Å; N812-S906 WeakPolarHBondContact CB-OG 3.16Å; N812-S906 PolarHBondContact ND2-OG 2.84Å
813	F	98.8	Very high	97.9	Very high	1 Å²	1	14.9 Å²	14.9	0%	0.004	7%	0.07	C	C	.	.	H	α-helix	trans	-59	-50.8	174.7	169.2	-92.7	0	0	0	111.9	T340 P357 A359 F730 T753 E755 S809 L810 I811 A815 K816 S817	T340-F813 HydrophobicContact CG2-CB 4.3Å; P357-F813 HydrophobicContact CB-CD1 3.57Å; P357-F813 HydrophobicContact CB-CE1 3.3Å; P357-F813 HydrophobicContact CB-CE2 4.43Å; P357-F813 HydrophobicContact CB-CG 4.25Å; P357-F813 HydrophobicContact CB-CZ 3.78Å; P357-F813 HydrophobicContact CG-CD1 3.47Å; P357-F813 VanDerWaalsContact CG-CD1 3.47Å; P357-F813 HydrophobicContact CG-CE1 3.64Å; P357-F813 HydrophobicContact CG-CG 4.3Å; A359-F813 HydrophobicContact CB-CB 4.49Å; A359-F813 HydrophobicContact CB-CD2 3.77Å; A359-F813 HydrophobicContact CB-CE2 4.41Å; A359-F813 HydrophobicContact CB-CG 4.28Å; F730-F813 HydrophobicContact CE2-CE2 4.22Å; F730-F813 HydrophobicContact CZ-CE2 4.43Å; T753-F813 HydrophobicContact CG2-CB 4.37Å; T753-F813 HydrophobicContact CG2-CD2 4.38Å; E755-F813 HydrophobicContact CB-CE2 3.99Å; E755-F813 VanDerWaalsContact CD-CE2 3.44Å; E755-F813 HydrophobicContact CG-CE2 3.86Å; E755-F813 HydrophobicContact CG-CZ 4.33Å; E755-F813 WeakPolarHBondContact OE1-CZ 3.38Å; S809-F813 PolarHBondContact O-N 2.89Å; S809-F813 VanDerWaalsContact O-N 3.17Å; L810-F813 PolarHBondContact O-N 2.83Å; I811-F813 PolarHBondContact O-N 2.9Å; F813-A815 VanDerWaalsContact C-N 3.32Å; F813-A815 PolarHBondContact O-N 2.98Å; F813-K816 PolarHBondContact O-N 3.17Å; F813-S817 WeakPolarHBondContact O-CB 3.16Å; F813-S817 PolarHBondContact O-N 2.9Å
814	F	98.8	Very high	97.9	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-63.1	-36.9	-177.9	-79.7	-64.8	0	0	0	113	P357 L810 I811 A818 L834 M841 F867 M871 L874	P357-F814 HydrophobicContact CG-CE2 3.94Å; P357-F814 HydrophobicContact CG-CZ 3.84Å; L810-F814 HydrophobicContact CD2-CE2 4.38Å; L810-F814 WeakPolarHBondContact O-CD2 3.34Å; L810-F814 PolarHBondContact O-N 3.23Å; I811-F814 HydrophobicContact CD1-CB 4.45Å; I811-F814 PolarHBondContact O-N 2.95Å; F814-A818 WeakPolarHBondContact O-CB 3.42Å; F814-A818 PolarHBondContact O-N 3.03Å; F814-L834 HydrophobicContact CB-CD2 4.12Å; F814-L834 HydrophobicContact CD1-CD2 3.68Å; F814-L834 HydrophobicContact CG-CD2 4.24Å; F814-M841 HydrophobicContact CE2-CE 3.92Å; F814-M841 HydrophobicContact CZ-CE 3.71Å; F814-M841 HydrophobicContact CZ-SD 4.3Å; F814-F867 AromaticContact CD2-CE2 3.76Å; F814-F867 HydrophobicContact CD2-CE2 3.76Å; F814-F867 AromaticContact CD2-CZ 3.74Å; F814-F867 HydrophobicContact CD2-CZ 3.74Å; F814-F867 AromaticContact CE2-CE2 3.8Å; F814-F867 HydrophobicContact CE2-CE2 3.8Å; F814-F867 AromaticContact CE2-CZ 3.49Å; F814-F867 HydrophobicContact CE2-CZ 3.49Å; F814-F867 VanDerWaalsContact CE2-CZ 3.49Å; F814-F867 HydrophobicContact CZ-CZ 4.34Å; F814-M871 HydrophobicContact CB-CE 3.94Å; F814-M871 HydrophobicContact CD1-CE 4.22Å; F814-M871 HydrophobicContact CD2-CE 3.81Å; F814-M871 HydrophobicContact CE2-CE 4.39Å; F814-M871 HydrophobicContact CG-CE 3.73Å; F814-L874 HydrophobicContact CB-CD2 4.11Å
815	A	98.6	Very high	97.7	Very high	2 Å²	2	12.5 Å²	12.5	2%	0.017	6%	0.06	C	C	.	.	H	α-helix	trans	-63.9	-54.2	176.6	0	0	0	0	0	111.5	I811 N812 F813 S817 A818 Y819 L874 V898 L910	I811-A815 VanDerWaalsContact O-CB 3.3Å; I811-A815 WeakPolarHBondContact O-CB 3.39Å; I811-A815 PolarHBondContact O-N 2.91Å; N812-A815 PolarHBondContact O-N 2.86Å; F813-A815 VanDerWaalsContact C-N 3.32Å; F813-A815 PolarHBondContact O-N 2.98Å; A815-S817 VanDerWaalsContact C-N 3.32Å; A815-S817 PolarHBondContact O-N 3.31Å; A815-A818 PolarHBondContact O-N 2.78Å; A815-Y819 VanDerWaalsContact O-CB 3.3Å; A815-Y819 WeakPolarHBondContact O-CB 3.42Å; A815-Y819 WeakPolarHBondContact O-CD1 3.34Å; A815-Y819 PolarHBondContact O-N 3.42Å; A815-L874 HydrophobicContact CB-CD1 3.74Å; A815-L874 HydrophobicContact CB-CD2 4.19Å; A815-V898 HydrophobicContact CB-CG1 3.94Å; A815-L910 HydrophobicContact CB-CD1 4.46Å
816	K	98.7	Very high	97.6	Very high	1 Å²	1	13.2 Å²	13.2	0%	0.004	7%	0.065	C	C	.	.	H	α-helix	trans	-63.3	-37.8	178.8	-63.1	-172	-170.3	-175.5	0	112.4	F730 A751 T753 N812 F813 Y819 R820 V898 M899 M901	F730-K816 HydrophobicContact CB-CB 3.9Å; F730-K816 HydrophobicContact CB-CD 4.01Å; F730-K816 HydrophobicContact CD1-CB 4.3Å; F730-K816 HydrophobicContact CG-CB 4.36Å; A751-K816 PolarHBondContact O-NZ 3.15Å; T753-K816 WeakPolarHBondContact OG1-CD 3.23Å; T753-K816 WeakPolarHBondContact OG1-CE 3.34Å; T753-K816 PolarHBondContact OG1-NZ 3.04Å; N812-K816 WeakPolarHBondContact O-CG 3.28Å; N812-K816 PolarHBondContact O-N 3.26Å; N812-K816 VanDerWaalsContact O-N 3.15Å; N812-K816 WeakPolarHBondContact OD1-CE 3.25Å; F813-K816 PolarHBondContact O-N 3.17Å; K816-Y819 PolarHBondContact O-N 3.2Å; K816-R820 WeakPolarHBondContact O-CB 3.45Å; K816-R820 PolarHBondContact O-N 2.87Å; K816-V898 WeakPolarHBondContact CE-O 3.33Å; K816-V898 HydrophobicContact CG-CG1 4.32Å; K816-M899 HydrophobicContact CB-CE 4.26Å; K816-M899 HydrophobicContact CB-SD 4.06Å; K816-M899 WeakPolarHBondContact CD-O 3.26Å; K816-M899 WeakPolarHBondContact CE-O 3.39Å; K816-M899 HydrophobicContact CG-SD 4.34Å; K816-M899 PolarHBondContact NZ-O 3Å; K816-M901 VanDerWaalsContact CE-O 3.29Å; K816-M901 WeakPolarHBondContact CE-O 3.46Å; K816-M901 PolarHBondContact NZ-O 3.01Å
817	S	98.4	Very high	97.4	Very high	5 Å²	5	13.1 Å²	13.1	4%	0.035	7%	0.065	C	C	.	.	H	α-helix	trans	-64.1	-50.2	176.9	-173.1	0	0	0	0	111.9	F813 A815 Y819 R820 A821	F813-S817 WeakPolarHBondContact O-CB 3.16Å; F813-S817 PolarHBondContact O-N 2.9Å; A815-S817 VanDerWaalsContact C-N 3.32Å; A815-S817 PolarHBondContact O-N 3.31Å; S817-Y819 VanDerWaalsContact C-N 3.33Å; S817-Y819 PolarHBondContact O-N 3.19Å; S817-R820 PolarHBondContact O-N 3.42Å; S817-A821 WeakPolarHBondContact O-CB 3.44Å; S817-A821 PolarHBondContact O-N 3.12Å
818	A	98.3	Very high	97.2	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-60.4	-40.4	175.3	0	0	0	0	0	112.7	F814 A815 A821 I822 V830 L834 L880	F814-A818 WeakPolarHBondContact O-CB 3.42Å; F814-A818 PolarHBondContact O-N 3.03Å; A815-A818 PolarHBondContact O-N 2.78Å; A818-A821 WeakPolarHBondContact O-CB 3.37Å; A818-A821 PolarHBondContact O-N 3.36Å; A818-A821 VanDerWaalsContact O-N 3.15Å; A818-I822 PolarHBondContact O-N 3.28Å; A818-I822 VanDerWaalsContact O-N 3.08Å; A818-V830 HydrophobicContact CB-CG1 3.64Å; A818-L834 HydrophobicContact CB-CD1 3.98Å; A818-L834 HydrophobicContact CB-CD2 4.41Å; A818-L880 HydrophobicContact CB-CD1 4.3Å
819	Y	97.6	Very high	97.1	Very high	1 Å²	1	22.8 Å²	22.8	0%	0.004	11%	0.109	C	C	.	.	H	α-helix	trans	-71.9	-28.3	-178.5	-73.5	9.8	0	0	0	113.2	A815 K816 S817 I822 L874 T877 P879 L880 R895 V898	A815-Y819 VanDerWaalsContact O-CB 3.3Å; A815-Y819 WeakPolarHBondContact O-CB 3.42Å; A815-Y819 WeakPolarHBondContact O-CD1 3.34Å; A815-Y819 PolarHBondContact O-N 3.42Å; K816-Y819 PolarHBondContact O-N 3.2Å; S817-Y819 VanDerWaalsContact C-N 3.33Å; S817-Y819 PolarHBondContact O-N 3.19Å; Y819-I822 WeakPolarHBondContact O-CG1 3.34Å; Y819-L874 HydrophobicContact CE1-CD1 4Å; Y819-T877 WeakPolarHBondContact OH-CB 3.5Å; Y819-T877 WeakPolarHBondContact OH-CG2 2.84Å; Y819-T877 PolarHBondContact OH-OG1 2.97Å; Y819-P879 HydrophobicContact CD1-CB 4.24Å; Y819-P879 HydrophobicContact CE1-CB 3.84Å; Y819-P879 HydrophobicContact CE1-CG 3.96Å; Y819-P879 HydrophobicContact CE2-CG 4.08Å; Y819-L880 HydrophobicContact CE1-CD1 4.13Å; Y819-L880 HydrophobicContact CE1-CG 4.05Å; Y819-R895 HydrophobicContact CD2-CB 4.38Å; Y819-R895 HydrophobicContact CD2-CG 4.14Å; Y819-R895 WeakPolarHBondContact CD2-O 3.34Å; Y819-R895 HydrophobicContact CG-CG 4.08Å; Y819-V898 HydrophobicContact CD2-CB 3.77Å; Y819-V898 HydrophobicContact CD2-CG1 3.74Å; Y819-V898 HydrophobicContact CD2-CG2 4.46Å; Y819-V898 HydrophobicContact CE2-CB 3.58Å; Y819-V898 HydrophobicContact CE2-CG1 3.68Å; Y819-V898 HydrophobicContact CE2-CG2 3.76Å
820	R	96.5	Very high	97	Very high	81 Å²	81	22.8 Å²	22.8	31%	0.306	11%	0.109	S	C	.	.	H	α-helix	trans	-74	-34.1	166.9	-168.6	177.3	175.9	-145.7	-3.2	111.6	D728 F730 K816 S817 L823	D728-R820 IonicContact OD1-CZ 2.7Å; D728-R820 IonicContact OD1-NH1 3.27Å; D728-R820 PolarHBondContact OD1-NH1 3.29Å; D728-R820 IonicContact OD1-NH2 3.15Å; D728-R820 PolarHBondContact OD1-NH2 3.3Å; D728-R820 VanDerWaalsContact OD1-NH2 3.16Å; F730-R820 HydrophobicContact CD1-CB 4.26Å; F730-R820 HydrophobicContact CE1-CB 4.27Å; F730-R820 VanDerWaalsContact CE1-CD 3.48Å; K816-R820 WeakPolarHBondContact O-CB 3.45Å; K816-R820 PolarHBondContact O-N 2.87Å; S817-R820 PolarHBondContact O-N 3.42Å; R820-L823 WeakPolarHBondContact O-CB 3.44Å; R820-L823 PolarHBondContact O-N 3.28Å
821	A	96.8	Very high	96.9	Very high	1 Å²	1	25.8 Å²	25.8	1%	0.008	12%	0.121	C	C	.	.	H	α-helix	trans	-70.3	-37.4	-178.5	0	0	0	0	0	114.1	V7 S817 A818 L823 N824 Q825 V830	V7-A821 HydrophobicContact CG1-CB 3.55Å; S817-A821 WeakPolarHBondContact O-CB 3.44Å; S817-A821 PolarHBondContact O-N 3.12Å; A818-A821 WeakPolarHBondContact O-CB 3.37Å; A818-A821 PolarHBondContact O-N 3.36Å; A818-A821 VanDerWaalsContact O-N 3.15Å; A821-L823 PolarHBondContact O-N 2.86Å; A821-L823 VanDerWaalsContact O-N 3.11Å; A821-N824 PolarHBondContact O-N 2.88Å; A821-Q825 PolarHBondContact O-N 2.82Å; A821-V830 HydrophobicContact CB-CG1 4.32Å; A821-V830 HydrophobicContact CB-CG2 3.8Å
822	I	96	Very high	96.8	Very high	1 Å²	1	28.4 Å²	28.4	1%	0.005	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-13.5	178	60.9	170.1	0	0	0	114.3	K633 F636 A818 Y819 N824 V827 V830 P879 L880 R895	K633-I822 WeakPolarHBondContact CB-O 3.28Å; F636-I822 HydrophobicContact CD1-CD1 4.45Å; F636-I822 HydrophobicContact CD2-CD1 4.21Å; F636-I822 HydrophobicContact CE1-CD1 4.32Å; F636-I822 HydrophobicContact CE2-CD1 4.09Å; F636-I822 HydrophobicContact CG-CD1 4.38Å; F636-I822 HydrophobicContact CZ-CD1 4.13Å; A818-I822 PolarHBondContact O-N 3.28Å; A818-I822 VanDerWaalsContact O-N 3.08Å; Y819-I822 WeakPolarHBondContact O-CG1 3.34Å; I822-N824 PolarHBondContact O-N 2.99Å; I822-V827 HydrophobicContact CB-CG2 4.47Å; I822-V827 HydrophobicContact CG2-CG2 4.03Å; I822-V830 HydrophobicContact CG2-CB 4.18Å; I822-V830 HydrophobicContact CG2-CG1 4.26Å; I822-V830 HydrophobicContact CG2-CG2 3.87Å; I822-P879 HydrophobicContact CD1-CB 4.01Å; I822-L880 HydrophobicContact CG2-CD2 3.8Å; I822-R895 HydrophobicContact CD1-CG 4.27Å
823	L	95.2	Very high	96.7	Very high	42 Å²	42	30.7 Å²	30.7	22%	0.22	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-15.4	170.1	-61.7	175.4	0	0	0	112.7	F636 Q637 R820 A821	F636-L823 HydrophobicContact CB-CD2 3.67Å; F636-L823 WeakPolarHBondContact O-CD2 3.45Å; Q637-L823 HydrophobicContact CG-CD2 4.43Å; Q637-L823 PolarHBondContact NE2-O 2.65Å; R820-L823 WeakPolarHBondContact O-CB 3.44Å; R820-L823 PolarHBondContact O-N 3.28Å; A821-L823 PolarHBondContact O-N 2.86Å; A821-L823 VanDerWaalsContact O-N 3.11Å
824	N	95.4	Very high	96.6	Very high	61 Å²	61	30.7 Å²	30.7	33%	0.326	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	-126	-38.7	-173.2	-67.2	-71.6	0	0	0	112.7	K633 A821 I822	K633-N824 VanDerWaalsContact CD-O 3.3Å; K633-N824 WeakPolarHBondContact CD-O 3.35Å; K633-N824 PolarHBondContact NZ-O 2.8Å; A821-N824 PolarHBondContact O-N 2.88Å; I822-N824 PolarHBondContact O-N 2.99Å
825	Q	94.9	Very high	96.5	Very high	40 Å²	40	30.9 Å²	30.9	19%	0.187	15%	0.148	C	C	.	.	S	Bend	trans	-109	156.3	-174.9	-54.2	-168.9	27.3	0	0	112.3	A8 A821 V830	A8-Q825 PolarHBondContact O-NE2 3.01Å; A821-Q825 PolarHBondContact O-N 2.82Å; Q825-V830 HydrophobicContact CB-CG2 3.97Å
826	P	95.3	Very high	96.3	Very high	22 Å²	22	34.9 Å²	34.9	14%	0.143	17%	0.169	C	C	.	.			trans	-62.9	143.2	171.2	-17.8	31.4	0	0	0	111.6	D630 K828 N829 V830	D630-P826 HydrophobicContact CB-CG 4.46Å; D630-P826 WeakPolarHBondContact OD1-CG 3.43Å; P826-K828 PolarHBondContact O-N 3.45Å; P826-N829 PolarHBondContact O-N 3.42Å; P826-V830 PolarHBondContact O-N 3.04Å
827	V	94.8	Very high	96.2	Very high	4 Å²	4	35.2 Å²	35.2	2%	0.024	17%	0.17	C	C	.	.	H	α-helix	trans	-56.2	-37.1	-177.5	177.4	0	0	0	0	112.4	E632 I822 V830 R831 L880	E632-V827 HydrophobicContact CG-CG2 4.39Å; E632-V827 WeakPolarHBondContact OE2-CG2 3.16Å; I822-V827 HydrophobicContact CB-CG2 4.47Å; I822-V827 HydrophobicContact CG2-CG2 4.03Å; V827-V830 PolarHBondContact O-N 3.01Å; V827-R831 PolarHBondContact O-N 3.1Å; V827-R831 VanDerWaalsContact O-N 3.11Å; V827-L880 HydrophobicContact CG1-CD2 4.13Å; V827-L880 VanDerWaalsContact CG1-O 3.24Å; V827-L880 WeakPolarHBondContact CG1-O 3.36Å
828	K	94.3	Very high	96.2	Very high	139 Å²	139	35 Å²	35	60%	0.604	17%	0.169	S	C	*	.	H	α-helix	trans	-57.9	-50.6	174.4	-173.8	-171.1	170.7	-170.9	0	111.9	P826 V830 R831 D832	P826-K828 PolarHBondContact O-N 3.45Å; K828-V830 VanDerWaalsContact C-N 3.28Å; K828-V830 PolarHBondContact O-N 2.65Å; K828-R831 WeakPolarHBondContact O-CB 3.36Å; K828-R831 PolarHBondContact O-N 2.8Å; K828-R831 VanDerWaalsContact O-N 3.11Å; K828-D832 WeakPolarHBondContact CE-OD2 3.49Å; K828-D832 PolarHBondContact O-N 3.03Å
829	N	96.1	Very high	96.1	Very high	76 Å²	76	35 Å²	35	41%	0.406	17%	0.169	S	C	.	.	H	α-helix	trans	-61.7	-38.8	-178	-64.2	16.3	0	0	0	111.2	P826 R831 D832 I833	P826-N829 PolarHBondContact O-N 3.42Å; N829-R831 PolarHBondContact O-N 2.93Å; N829-D832 PolarHBondContact O-N 3.25Å; N829-I833 WeakPolarHBondContact O-CD1 3.33Å; N829-I833 VanDerWaalsContact O-CG1 3.24Å; N829-I833 WeakPolarHBondContact O-CG1 3.32Å; N829-I833 PolarHBondContact O-N 3.49Å
830	V	97.2	Very high	96.1	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-61.7	-43.3	175.9	177.8	0	0	0	0	111.1	V7 A818 A821 I822 Q825 P826 V827 K828 I833 L834 L880	V7-V830 HydrophobicContact CG1-CG1 4.13Å; A818-V830 HydrophobicContact CB-CG1 3.64Å; A821-V830 HydrophobicContact CB-CG1 4.32Å; A821-V830 HydrophobicContact CB-CG2 3.8Å; I822-V830 HydrophobicContact CG2-CB 4.18Å; I822-V830 HydrophobicContact CG2-CG1 4.26Å; I822-V830 HydrophobicContact CG2-CG2 3.87Å; Q825-V830 HydrophobicContact CB-CG2 3.97Å; P826-V830 PolarHBondContact O-N 3.04Å; V827-V830 PolarHBondContact O-N 3.01Å; K828-V830 VanDerWaalsContact C-N 3.28Å; K828-V830 PolarHBondContact O-N 2.65Å; V830-I833 PolarHBondContact O-N 2.82Å; V830-L834 WeakPolarHBondContact O-CG 3.27Å; V830-L834 PolarHBondContact O-N 3.44Å; V830-L880 HydrophobicContact CG1-CD2 4.26Å
831	R	96.1	Very high	96.1	Very high	63 Å²	63	33.9 Å²	33.9	24%	0.238	17%	0.167	C	C	.	.	H	α-helix	trans	-63.9	-46.2	174.3	-71.9	166.1	62.8	166.5	-3.9	112.1	V827 K828 N829 I833 L834 V835 M875 L880 V881	V827-R831 PolarHBondContact O-N 3.1Å; V827-R831 VanDerWaalsContact O-N 3.11Å; K828-R831 WeakPolarHBondContact O-CB 3.36Å; K828-R831 PolarHBondContact O-N 2.8Å; K828-R831 VanDerWaalsContact O-N 3.11Å; N829-R831 PolarHBondContact O-N 2.93Å; R831-I833 VanDerWaalsContact C-N 3.25Å; R831-I833 PolarHBondContact O-N 2.76Å; R831-L834 PolarHBondContact O-N 3Å; R831-L834 VanDerWaalsContact O-N 3.13Å; R831-V835 WeakPolarHBondContact O-CG2 3.43Å; R831-V835 PolarHBondContact O-N 3.39Å; R831-M875 HydrophobicContact CB-SD 4.41Å; R831-M875 HydrophobicContact CG-CG 4.41Å; R831-L880 VanDerWaalsContact CD-O 3.26Å; R831-L880 WeakPolarHBondContact CD-O 3.39Å; R831-L880 HydrophobicContact CG-CB 4.46Å; R831-L880 PolarHBondContact NH1-O 2.93Å; R831-V881 PolarHBondContact NH1-O 3.42Å; R831-V881 VanDerWaalsContact NH1-O 3.16Å
832	D	95.5	Very high	96.1	Very high	55 Å²	55	33.9 Å²	33.9	29%	0.294	17%	0.167	S	C	.	.	H	α-helix	trans	-59.1	-38.1	178.4	-65.9	-17.5	0	0	0	110.7	K828 N829 N836	K828-D832 WeakPolarHBondContact CE-OD2 3.49Å; K828-D832 PolarHBondContact O-N 3.03Å; N829-D832 PolarHBondContact O-N 3.25Å; D832-N836 VanDerWaalsContact O-CB 3.28Å; D832-N836 WeakPolarHBondContact O-CB 3.4Å; D832-N836 PolarHBondContact O-N 2.96Å; D832-N836 PolarHBondContact O-ND2 3.06Å
833	I	96.7	Very high	96.1	Very high	50 Å²	50	34.1 Å²	34.1	26%	0.256	17%	0.169	S	C	.	.	H	α-helix	trans	-66.1	-47.1	173.6	-62.3	159.6	0	0	0	111.6	V7 N829 V830 R831 V835 N836 Q837	V7-I833 HydrophobicContact CB-CG2 4.34Å; V7-I833 HydrophobicContact CG1-CD1 4.36Å; V7-I833 HydrophobicContact CG1-CG2 4.44Å; V7-I833 HydrophobicContact CG2-CG2 3.91Å; N829-I833 WeakPolarHBondContact O-CD1 3.33Å; N829-I833 VanDerWaalsContact O-CG1 3.24Å; N829-I833 WeakPolarHBondContact O-CG1 3.32Å; N829-I833 PolarHBondContact O-N 3.49Å; V830-I833 PolarHBondContact O-N 2.82Å; R831-I833 VanDerWaalsContact C-N 3.25Å; R831-I833 PolarHBondContact O-N 2.76Å; I833-V835 VanDerWaalsContact C-N 3.31Å; I833-V835 PolarHBondContact O-N 2.96Å; I833-N836 PolarHBondContact O-N 2.9Å; I833-Q837 WeakPolarHBondContact O-CB 3.45Å; I833-Q837 PolarHBondContact O-N 2.57Å
834	L	97.4	Very high	96.2	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-56.9	-43.3	178.3	-73.1	174.7	0	0	0	112.2	V7 F814 A818 V830 R831 T838 M871 L874 M875 L880	V7-L834 HydrophobicContact CG2-CD2 4.34Å; F814-L834 HydrophobicContact CB-CD2 4.12Å; F814-L834 HydrophobicContact CD1-CD2 3.68Å; F814-L834 HydrophobicContact CG-CD2 4.24Å; A818-L834 HydrophobicContact CB-CD1 3.98Å; A818-L834 HydrophobicContact CB-CD2 4.41Å; V830-L834 WeakPolarHBondContact O-CG 3.27Å; V830-L834 PolarHBondContact O-N 3.44Å; R831-L834 PolarHBondContact O-N 3Å; R831-L834 VanDerWaalsContact O-N 3.13Å; L834-T838 VanDerWaalsContact O-CB 3.3Å; L834-T838 WeakPolarHBondContact O-CB 3.3Å; L834-T838 PolarHBondContact O-N 3.41Å; L834-T838 PolarHBondContact O-OG1 3.33Å; L834-M871 HydrophobicContact CB-SD 3.87Å; L834-M871 HydrophobicContact CD1-SD 4.23Å; L834-M871 HydrophobicContact CD2-CE 4.18Å; L834-M871 HydrophobicContact CD2-SD 4.04Å; L834-M871 HydrophobicContact CG-SD 4.27Å; L834-L874 HydrophobicContact CD1-CD2 4.23Å; L834-M875 HydrophobicContact CD1-CG 4.47Å; L834-L880 HydrophobicContact CD1-CD1 4.05Å
835	V	96.3	Very high	96.2	Very high	4 Å²	4	31.5 Å²	31.5	2%	0.024	15%	0.153	C	C	.	.	H	α-helix	trans	-66	-50.8	176.3	177.9	0	0	0	0	111.2	R831 I833 Q837 T838 A839 M875 F1045 Y1048	R831-V835 WeakPolarHBondContact O-CG2 3.43Å; R831-V835 PolarHBondContact O-N 3.39Å; I833-V835 VanDerWaalsContact C-N 3.31Å; I833-V835 PolarHBondContact O-N 2.96Å; V835-Q837 VanDerWaalsContact C-N 3.32Å; V835-Q837 PolarHBondContact O-N 3.24Å; V835-T838 WeakPolarHBondContact O-CB 3.46Å; V835-T838 PolarHBondContact O-N 3.48Å; V835-A839 PolarHBondContact O-N 3.45Å; V835-M875 HydrophobicContact CG2-CE 4.01Å; V835-M875 HydrophobicContact CG2-SD 3.59Å; V835-M875 VanDerWaalsContact CG2-SD 3.59Å; V835-F1045 HydrophobicContact CG1-CE2 4.49Å; V835-F1045 HydrophobicContact CG2-CE2 4.06Å; V835-Y1048 HydrophobicContact CG1-CD1 4.3Å; V835-Y1048 HydrophobicContact CG1-CE1 3.69Å; V835-Y1048 HydrophobicContact CG1-CE2 4.38Å; V835-Y1048 HydrophobicContact CG2-CE1 4.18Å
836	N	96.1	Very high	96.2	Very high	87 Å²	87	31.2 Å²	31.2	47%	0.465	15%	0.15	S	C	.	.	H	α-helix	trans	-61.6	-40.6	-176.9	-75	-37.1	0	0	0	111.9	D832 I833 A839 H840	D832-N836 VanDerWaalsContact O-CB 3.28Å; D832-N836 WeakPolarHBondContact O-CB 3.4Å; D832-N836 PolarHBondContact O-N 2.96Å; D832-N836 PolarHBondContact O-ND2 3.06Å; I833-N836 PolarHBondContact O-N 2.9Å; N836-A839 PolarHBondContact O-N 3.07Å; N836-H840 WeakPolarHBondContact O-CB 3.49Å; N836-H840 PolarHBondContact O-N 3.31Å
837	Q	95.9	Very high	96.2	Very high	7 Å²	7	37.1 Å²	37.1	3%	0.033	17%	0.174	C	C	.	.	H	α-helix	trans	-69.9	-38	176.6	-165.6	-179.3	-24.6	0	0	112	Q355 I833 V835 H840 M841	Q355-Q837 HydrophobicContact CB-CG 4.14Å; Q355-Q837 PolarHBondContact O-NE2 3.47Å; I833-Q837 WeakPolarHBondContact O-CB 3.45Å; I833-Q837 PolarHBondContact O-N 2.57Å; V835-Q837 VanDerWaalsContact C-N 3.32Å; V835-Q837 PolarHBondContact O-N 3.24Å; Q837-H840 PolarHBondContact O-N 3.45Å; Q837-M841 HydrophobicContact CG-CE 4.44Å; Q837-M841 WeakPolarHBondContact O-CG 3.38Å; Q837-M841 PolarHBondContact O-N 3.42Å
838	T	97.3	Very high	96.2	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-59.1	-46.3	172.5	-64.1	0	0	0	0	111.4	L834 V835 H840 L842 F867 F1045 V1049	L834-T838 VanDerWaalsContact O-CB 3.3Å; L834-T838 WeakPolarHBondContact O-CB 3.3Å; L834-T838 PolarHBondContact O-N 3.41Å; L834-T838 PolarHBondContact O-OG1 3.33Å; V835-T838 WeakPolarHBondContact O-CB 3.46Å; V835-T838 PolarHBondContact O-N 3.48Å; T838-H840 VanDerWaalsContact C-N 3.34Å; T838-H840 PolarHBondContact O-N 3.17Å; T838-L842 HydrophobicContact CG2-CD1 4.24Å; T838-L842 WeakPolarHBondContact O-CG 3.3Å; T838-L842 PolarHBondContact O-N 3.4Å; T838-F867 HydrophobicContact CG2-CD1 4.27Å; T838-F867 HydrophobicContact CG2-CE1 3.87Å; T838-F1045 HydrophobicContact CG2-CZ 4.47Å; T838-V1049 HydrophobicContact CG2-CG1 4.3Å; T838-V1049 HydrophobicContact CG2-CG2 4.29Å
839	A	96.8	Very high	96.2	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-63.5	-39	174.4	0	0	0	0	0	111.9	V835 N836 A843 E1052 I1053 L1056	V835-A839 PolarHBondContact O-N 3.45Å; N836-A839 PolarHBondContact O-N 3.07Å; A839-A843 WeakPolarHBondContact O-CB 3.29Å; A839-A843 PolarHBondContact O-N 3.47Å; A839-E1052 HydrophobicContact CB-CB 3.72Å; A839-I1053 HydrophobicContact CB-CG1 4.22Å; A839-I1053 WeakPolarHBondContact O-CG1 3.45Å; A839-L1056 HydrophobicContact CB-CD1 4.22Å
840	H	97.1	Very high	95.9	Very high	58 Å²	58	33 Å²	33	27%	0.269	16%	0.164	S	C	.	.	H	α-helix	trans	-67.6	-45.9	-179.1	-160.3	99.9	0	0	0	113.3	Q355 N836 Q837 T838 L842 A843 C844 L1056	Q355-H840 VanDerWaalsContact CD-CG 3.47Å; Q355-H840 VanDerWaalsContact CG-CD2 3.49Å; Q355-H840 WeakPolarHBondContact CG-CD2 3.42Å; Q355-H840 PolarHBondContact NE2-CD2 2.86Å; Q355-H840 PolarHBondContact NE2-CE1 3.16Å; Q355-H840 PolarHBondContact NE2-NE2 3.06Å; N836-H840 WeakPolarHBondContact O-CB 3.49Å; N836-H840 PolarHBondContact O-N 3.31Å; Q837-H840 PolarHBondContact O-N 3.45Å; T838-H840 VanDerWaalsContact C-N 3.34Å; T838-H840 PolarHBondContact O-N 3.17Å; H840-L842 VanDerWaalsContact C-N 3.32Å; H840-L842 PolarHBondContact O-N 2.95Å; H840-A843 PolarHBondContact O-N 2.87Å; H840-C844 VanDerWaalsContact O-CB 3.26Å; H840-C844 WeakPolarHBondContact O-CB 3.44Å; H840-C844 PolarHBondContact O-N 3.37Å; H840-L1056 HydrophobicContact CB-CD1 4.2Å
841	M	97.3	Very high	95.7	Very high	1 Å²	1	37.3 Å²	37.3	1%	0.005	19%	0.193	C	C	.	.	H	α-helix	trans	-56.7	-47.1	175.8	-71.1	-177.8	-70.3	0	0	111.1	C354 Q355 V356 Y802 F814 Q837 C844 Y845 F867	C354-M841 WeakPolarHBondContact O-CA 3.31Å; C354-M841 WeakPolarHBondContact O-CG 3.34Å; Q355-M841 HydrophobicContact CB-CG 4.24Å; Q355-M841 WeakPolarHBondContact O-CG 3.3Å; Q355-M841 VanDerWaalsContact O-SD 3.36Å; V356-M841 HydrophobicContact CB-SD 4.49Å; V356-M841 HydrophobicContact CG2-CG 4.14Å; V356-M841 HydrophobicContact CG2-SD 4.05Å; Y802-M841 PolarHBondContact OH-O 2.73Å; Y802-M841 VanDerWaalsContact OH-O 3.04Å; F814-M841 HydrophobicContact CE2-CE 3.92Å; F814-M841 HydrophobicContact CZ-CE 3.71Å; F814-M841 HydrophobicContact CZ-SD 4.3Å; Q837-M841 HydrophobicContact CG-CE 4.44Å; Q837-M841 WeakPolarHBondContact O-CG 3.38Å; Q837-M841 PolarHBondContact O-N 3.42Å; M841-C844 PolarHBondContact O-N 3.15Å; M841-Y845 PolarHBondContact O-N 3.42Å; M841-F867 HydrophobicContact CE-CE1 3.49Å; M841-F867 VanDerWaalsContact CE-CE1 3.49Å; M841-F867 HydrophobicContact CE-CZ 3.63Å
842	L	96.5	Very high	95.3	Very high	1 Å²	1	41 Å²	41	1%	0.005	23%	0.226	C	C	.	.	H	α-helix	trans	-73.4	-35	-177.9	-63.2	176	0	0	0	112.9	T838 H840 Y845 R846 L860 M864 P868 V1049 I1053	T838-L842 HydrophobicContact CG2-CD1 4.24Å; T838-L842 WeakPolarHBondContact O-CG 3.3Å; T838-L842 PolarHBondContact O-N 3.4Å; H840-L842 VanDerWaalsContact C-N 3.32Å; H840-L842 PolarHBondContact O-N 2.95Å; L842-Y845 PolarHBondContact O-N 3.27Å; L842-R846 WeakPolarHBondContact O-CB 3.39Å; L842-R846 PolarHBondContact O-N 3.4Å; L842-L860 HydrophobicContact CD1-CD2 3.74Å; L842-L860 HydrophobicContact CD2-CD2 3.68Å; L842-L860 HydrophobicContact CG-CD2 4.22Å; L842-M864 HydrophobicContact CD2-SD 4.4Å; L842-P868 HydrophobicContact CD1-CG 4.16Å; L842-V1049 HydrophobicContact CD1-CG1 4Å; L842-I1053 HydrophobicContact CB-CD1 3.55Å; L842-I1053 HydrophobicContact CB-CG1 4.15Å; L842-I1053 HydrophobicContact CD1-CD1 4.18Å
843	A	96.4	Very high	95.1	Very high	6 Å²	6	40.3 Å²	40.3	5%	0.05	23%	0.225	C	C	.	.	H	α-helix	trans	-65.4	-39.5	171.2	0	0	0	0	0	111.5	A839 H840 R846 K847 I1053 L1056 L1057	A839-A843 WeakPolarHBondContact O-CB 3.29Å; A839-A843 PolarHBondContact O-N 3.47Å; H840-A843 PolarHBondContact O-N 2.87Å; A843-R846 PolarHBondContact O-N 3.16Å; A843-K847 VanDerWaalsContact O-CB 3.31Å; A843-K847 WeakPolarHBondContact O-CB 3.31Å; A843-K847 PolarHBondContact O-N 2.96Å; A843-I1053 HydrophobicContact CB-CB 4.42Å; A843-I1053 HydrophobicContact CB-CG1 4.3Å; A843-I1053 HydrophobicContact CB-CG2 4.1Å; A843-L1056 HydrophobicContact CB-CB 3.9Å; A843-L1056 HydrophobicContact CB-CD1 4.15Å; A843-L1057 HydrophobicContact CB-CG 4.45Å
844	C	96.7	Very high	94.6	Very high	8 Å²	8	40.2 Å²	40.2	5%	0.054	23%	0.232	C	C	.	.	H	α-helix	trans	-64.1	-44.2	175.8	-178.5	0	0	0	0	111.8	Q353 H840 M841 K847 N848	Q353-C844 PolarHBondContact O-SG 2.8Å; H840-C844 VanDerWaalsContact O-CB 3.26Å; H840-C844 WeakPolarHBondContact O-CB 3.44Å; H840-C844 PolarHBondContact O-N 3.37Å; M841-C844 PolarHBondContact O-N 3.15Å; C844-K847 PolarHBondContact O-N 3.08Å; C844-N848 WeakPolarHBondContact O-CB 3.47Å; C844-N848 PolarHBondContact O-N 2.66Å; C844-N848 PolarHBondContact O-ND2 2.94Å; C844-N848 PolarHBondContact SG-ND2 2.65Å; C844-N848 VanDerWaalsContact SG-ND2 3.38Å
845	Y	96.8	Very high	94	Very high	40 Å²	40	43.4 Å²	43.4	16%	0.157	26%	0.258	C	S	.	.	H	α-helix	trans	-59.3	-48	171.3	179.9	-105.1	0	0	0	111.9	Y802 M841 L842 K847 N848 C849 A850 I859 P861	Y802-Y845 HydrophobicContact CD1-CD2 4.38Å; Y802-Y845 AromaticContact CD2-CD2 3.66Å; Y802-Y845 HydrophobicContact CD2-CD2 3.66Å; Y802-Y845 HydrophobicContact CD2-CG 4.47Å; Y802-Y845 HydrophobicContact CE2-CD2 4.24Å; Y802-Y845 AromaticContact CG-CD2 3.77Å; Y802-Y845 HydrophobicContact CG-CD2 3.77Å; M841-Y845 PolarHBondContact O-N 3.42Å; L842-Y845 PolarHBondContact O-N 3.27Å; Y845-K847 VanDerWaalsContact C-N 3.31Å; Y845-K847 PolarHBondContact O-N 2.71Å; Y845-N848 PolarHBondContact O-N 2.72Å; Y845-C849 HydrophobicContact CD2-CB 3.42Å; Y845-C849 VanDerWaalsContact CD2-CB 3.42Å; Y845-C849 HydrophobicContact CE2-CB 3.42Å; Y845-C849 VanDerWaalsContact CE2-CB 3.42Å; Y845-C849 HydrophobicContact CG-CB 4.25Å; Y845-C849 WeakPolarHBondContact O-CA 3.24Å; Y845-C849 WeakPolarHBondContact O-CB 3.22Å; Y845-C849 PolarHBondContact O-N 2.95Å; Y845-A850 HydrophobicContact CE1-CB 4.26Å; Y845-A850 PolarHBondContact O-N 3.04Å; Y845-A850 VanDerWaalsContact O-N 3.09Å; Y845-I859 HydrophobicContact CE1-CG2 4.16Å; Y845-P861 HydrophobicContact CD1-CB 4.25Å; Y845-P861 VanDerWaalsContact CD1-CD 3.48Å; Y845-P861 HydrophobicContact CD1-CG 3.97Å; Y845-P861 HydrophobicContact CD2-CB 3.95Å; Y845-P861 HydrophobicContact CD2-CG 3.93Å; Y845-P861 HydrophobicContact CE1-CB 3.94Å; Y845-P861 HydrophobicContact CE1-CG 4.16Å; Y845-P861 VanDerWaalsContact CE1-N 3.31Å; Y845-P861 HydrophobicContact CE2-CB 3.65Å; Y845-P861 HydrophobicContact CE2-CG 4.16Å; Y845-P861 HydrophobicContact CG-CB 4.24Å; Y845-P861 HydrophobicContact CG-CG 3.83Å
846	R	94.8	Very high	93.5	Very high	34 Å²	34	47.9 Å²	47.9	13%	0.128	29%	0.29	C	S	.	.	H	α-helix	trans	-62.4	-34.8	179.3	-179.6	53.4	174.3	-80	5.9	113.2	L842 A843 S853 A854 Q857 L1057	L842-R846 WeakPolarHBondContact O-CB 3.39Å; L842-R846 PolarHBondContact O-N 3.4Å; A843-R846 PolarHBondContact O-N 3.16Å; R846-S853 PolarHBondContact NE-OG 3.45Å; R846-S853 PolarHBondContact NH2-O 3.03Å; R846-S853 PolarHBondContact NH2-OG 2.96Å; R846-S853 VanDerWaalsContact NH2-OG 3.11Å; R846-A854 PolarHBondContact NH2-O 2.84Å; R846-Q857 PolarHBondContact NH1-O 3.18Å; R846-L1057 HydrophobicContact CB-CD1 4.33Å; R846-L1057 HydrophobicContact CG-CD1 3.8Å
847	K	94.5	Very high	93.1	Very high	147 Å²	147	48.3 Å²	48.3	64%	0.639	29%	0.289	S	S	*	.	H	α-helix	trans	-76.4	-38.2	-179.7	-173.8	168.9	-178.9	169	0	113.4	A843 C844 Y845 L1057	A843-K847 VanDerWaalsContact O-CB 3.31Å; A843-K847 WeakPolarHBondContact O-CB 3.31Å; A843-K847 PolarHBondContact O-N 2.96Å; C844-K847 PolarHBondContact O-N 3.08Å; Y845-K847 VanDerWaalsContact C-N 3.31Å; Y845-K847 PolarHBondContact O-N 2.71Å; K847-L1057 HydrophobicContact CB-CD2 3.74Å; K847-L1057 HydrophobicContact CD-CD2 4.42Å; K847-L1057 HydrophobicContact CG-CD2 4.35Å
848	N	94	Very high	92.7	Very high	76 Å²	76	50.4 Å²	50.4	41%	0.406	30%	0.3	S	S	.	.	H	α-helix	trans	-115.7	-15.3	-164.3	-53.6	-70.9	0	0	0	114.7	L798 C844 Y845	L798-N848 HydrophobicContact CD1-CB 3.74Å; C844-N848 WeakPolarHBondContact O-CB 3.47Å; C844-N848 PolarHBondContact O-N 2.66Å; C844-N848 PolarHBondContact O-ND2 2.94Å; C844-N848 PolarHBondContact SG-ND2 2.65Å; C844-N848 VanDerWaalsContact SG-ND2 3.38Å; Y845-N848 PolarHBondContact O-N 2.72Å
849	C	94.3	Very high	92.5	Very high	35 Å²	35	52.7 Å²	52.7	24%	0.236	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-127.5	-35.2	-172.8	-57	0	0	0	0	113.9	L798 Y845	L798-C849 VanDerWaalsContact CB-SG 3.52Å; Y845-C849 HydrophobicContact CD2-CB 3.42Å; Y845-C849 VanDerWaalsContact CD2-CB 3.42Å; Y845-C849 HydrophobicContact CE2-CB 3.42Å; Y845-C849 VanDerWaalsContact CE2-CB 3.42Å; Y845-C849 HydrophobicContact CG-CB 4.25Å; Y845-C849 WeakPolarHBondContact O-CA 3.24Å; Y845-C849 WeakPolarHBondContact O-CB 3.22Å; Y845-C849 PolarHBondContact O-N 2.95Å
850	A	91.3	Very high	92.3	Very high	21 Å²	21	54 Å²	54	17%	0.174	32%	0.319	C	S	.	.	S	Bend	trans	-72.9	144.7	-176.8	0	0	0	0	0	112.6	Y845 I859	Y845-A850 HydrophobicContact CE1-CB 4.26Å; Y845-A850 PolarHBondContact O-N 3.04Å; Y845-A850 VanDerWaalsContact O-N 3.09Å; A850-I859 HydrophobicContact CB-CG2 3.91Å
851	S	91.2	Very high	92.2	Very high	90 Å²	90	51.4 Å²	51.4	63%	0.629	31%	0.307	S	S	*	.	P	Polyproline II helix	trans	-64.9	151.1	173	55.4	0	0	0	0	112.1	S853	S851-S853 WeakPolarHBondContact O-CB 3.4Å; S851-S853 PolarHBondContact O-N 3.38Å; S851-S853 VanDerWaalsContact O-N 3.17Å; S851-S853 PolarHBondContact O-OG 3.28Å
852	P	88.8	Confident	92	Very high	141 Å²	141	56.9 Å²	56.9	92%	0.916	34%	0.336	S	S	*	.	S	Bend	trans	-50.4	122.3	174.3	-28.8	36.3	0	0	0	112.1
853	S	90.3	Very high	91.9	Very high	41 Å²	41	58 Å²	58	29%	0.287	34%	0.344	S	S	.	.			trans	-156.3	153.1	-165.3	42.6	0	0	0	0	109.4	R846 S851	R846-S853 PolarHBondContact NE-OG 3.45Å; R846-S853 PolarHBondContact NH2-O 3.03Å; R846-S853 PolarHBondContact NH2-OG 2.96Å; R846-S853 VanDerWaalsContact NH2-OG 3.11Å; S851-S853 WeakPolarHBondContact O-CB 3.4Å; S851-S853 PolarHBondContact O-N 3.38Å; S851-S853 VanDerWaalsContact O-N 3.17Å; S851-S853 PolarHBondContact O-OG 3.28Å
854	A	87.8	Confident	91.9	Very high	48 Å²	48	57.8 Å²	57.8	40%	0.397	34%	0.342	S	S	.	.			trans	-64.4	141.1	-170.5	0	0	0	0	0	112.2	R846 S856 Q857	R846-A854 PolarHBondContact NH2-O 2.84Å; A854-S856 PolarHBondContact O-N 3.1Å; A854-S856 VanDerWaalsContact O-N 3.1Å; A854-Q857 HydrophobicContact CB-CG 4.28Å; A854-Q857 WeakPolarHBondContact O-CB 3.4Å; A854-Q857 PolarHBondContact O-N 3.25Å
855	A	84.3	Confident	91.7	Very high	66 Å²	66	61.4 Å²	61.4	55%	0.545	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-17.4	-179.6	0	0	0	0	0	113.8	Q857 H1050	A855-Q857 VanDerWaalsContact C-N 3.34Å; A855-H1050 PolarHBondContact O-NE2 3.47Å
856	S	85.1	Confident	91.7	Very high	98 Å²	98	59.8 Å²	59.8	69%	0.685	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.5	-14	171.2	49.6	0	0	0	0	114.2	A854 H1050	A854-S856 PolarHBondContact O-N 3.1Å; A854-S856 VanDerWaalsContact O-N 3.1Å; S856-H1050 PolarHBondContact O-CE1 3.15Å
857	Q	87.4	Confident	91.9	Very high	97 Å²	97	58.2 Å²	58.2	45%	0.453	35%	0.345	S	S	.	.	S	Bend	trans	-91.2	135.3	175.8	-63.4	171	-60.1	0	0	110.1	R846 A854 A855 I859 H1050	R846-Q857 PolarHBondContact NH1-O 3.18Å; A854-Q857 HydrophobicContact CB-CG 4.28Å; A854-Q857 WeakPolarHBondContact O-CB 3.4Å; A854-Q857 PolarHBondContact O-N 3.25Å; A855-Q857 VanDerWaalsContact C-N 3.34Å; Q857-I859 HydrophobicContact CB-CD1 4.21Å; Q857-I859 HydrophobicContact CB-CG1 4.44Å; Q857-H1050 PolarHBondContact O-NE2 3.05Å
858	L	88.4	Confident	92	Very high	50 Å²	50	51.2 Å²	51.2	26%	0.262	32%	0.315	S	S	.	.			trans	-84.2	134.2	160.1	-179.7	61.6	0	0	0	108	L860 L1046 H1050 I1053	L858-L860 HydrophobicContact CD1-CD2 4.11Å; L858-L860 HydrophobicContact CD2-CD2 4.25Å; L858-L860 HydrophobicContact CG-CD2 4.01Å; L858-L860 HydrophobicContact CG-CG 4.39Å; L858-L1046 HydrophobicContact CD2-CD2 3.89Å; L858-H1050 HydrophobicContact CD1-CB 4.32Å; L858-I1053 HydrophobicContact CD1-CD1 3.56Å
859	I	92.1	Very high	92.2	Very high	49 Å²	49	47.6 Å²	47.6	25%	0.251	30%	0.296	S	S	.	.			trans	-128.4	126.5	-179.3	-57.9	-68.1	0	0	0	107.4	Y845 A850 Q857	Y845-I859 HydrophobicContact CE1-CG2 4.16Å; A850-I859 HydrophobicContact CB-CG2 3.91Å; Q857-I859 HydrophobicContact CB-CD1 4.21Å; Q857-I859 HydrophobicContact CB-CG1 4.44Å
860	L	93.7	Very high	92.4	Very high	28 Å²	28	46.1 Å²	46.1	15%	0.147	29%	0.285	C	S	.	.			trans	-120.5	149.3	-177.2	-52.3	177.2	0	0	0	109	P290 L842 L858 K865 P868	P290-L860 HydrophobicContact CG-CD1 4.42Å; L842-L860 HydrophobicContact CD1-CD2 3.74Å; L842-L860 HydrophobicContact CD2-CD2 3.68Å; L842-L860 HydrophobicContact CG-CD2 4.22Å; L858-L860 HydrophobicContact CD1-CD2 4.11Å; L858-L860 HydrophobicContact CD2-CD2 4.25Å; L858-L860 HydrophobicContact CG-CD2 4.01Å; L858-L860 HydrophobicContact CG-CG 4.39Å; L860-K865 WeakPolarHBondContact CD1-O 3.28Å; L860-P868 HydrophobicContact CD1-CG 4.34Å
861	P	94.8	Very high	92.7	Very high	2 Å²	2	45.1 Å²	45.1	1%	0.013	28%	0.277	C	S	.	.			trans	-70.6	149.7	165.9	19.7	-15.1	0	0	0	110.2	Y802 Y845 S863 M864 K865	Y802-P861 HydrophobicContact CD1-CG 4.11Å; Y802-P861 HydrophobicContact CG-CG 4.49Å; Y845-P861 HydrophobicContact CD1-CB 4.25Å; Y845-P861 VanDerWaalsContact CD1-CD 3.48Å; Y845-P861 HydrophobicContact CD1-CG 3.97Å; Y845-P861 HydrophobicContact CD2-CB 3.95Å; Y845-P861 HydrophobicContact CD2-CG 3.93Å; Y845-P861 HydrophobicContact CE1-CB 3.94Å; Y845-P861 HydrophobicContact CE1-CG 4.16Å; Y845-P861 VanDerWaalsContact CE1-N 3.31Å; Y845-P861 HydrophobicContact CE2-CB 3.65Å; Y845-P861 HydrophobicContact CE2-CG 4.16Å; Y845-P861 HydrophobicContact CG-CB 4.24Å; Y845-P861 HydrophobicContact CG-CG 3.83Å; P861-S863 VanDerWaalsContact C-N 3.27Å; P861-S863 PolarHBondContact O-N 3.29Å; P861-M864 HydrophobicContact CG-CB 3.91Å; P861-M864 HydrophobicContact CG-CG 4.02Å; P861-M864 HydrophobicContact CG-SD 3.91Å; P861-M864 CarbonylContact O-C 3.48Å; P861-M864 PolarHBondContact O-N 3.45Å; P861-K865 PolarHBondContact O-N 2.97Å; P861-K865 VanDerWaalsContact O-N 3.1Å
862	D	92.6	Very high	93	Very high	116 Å²	116	40.9 Å²	40.9	62%	0.62	25%	0.247	S	C	*	.	G	3₁₀ helix	trans	-53.9	-43.9	-177.3	-67.7	-66.8	0	0	0	112.8	M864 K865	D862-M864 PolarHBondContact O-N 3.18Å; D862-K865 PolarHBondContact O-N 3.49Å; D862-K865 WeakPolarHBondContact OD1-CE 3.39Å; D862-K865 IonicContact OD1-NZ 2.65Å; D862-K865 PolarHBondContact OD1-NZ 2.97Å
863	S	95.6	Very high	93.5	Very high	26 Å²	26	34.4 Å²	34.4	18%	0.182	21%	0.205	C	C	.	.	G	3₁₀ helix	trans	-59	-20.7	175.7	53.3	0	0	0	0	115.3	Y802 C805 T807 P861	Y802-S863 WeakPolarHBondContact O-CB 3.38Å; Y802-S863 PolarHBondContact O-OG 2.72Å; C805-S863 VanDerWaalsContact O-CB 3.31Å; C805-S863 WeakPolarHBondContact O-CB 3.12Å; T807-S863 PolarHBondContact OG1-O 3.08Å; P861-S863 VanDerWaalsContact C-N 3.27Å; P861-S863 PolarHBondContact O-N 3.29Å
864	M	96.3	Very high	93.8	Very high	1 Å²	1	32.5 Å²	32.5	1%	0.005	19%	0.192	C	C	.	.	G	3₁₀ helix	trans	-120.8	11.9	-178.3	-60	-179.8	173.1	0	0	113.3	V356 Y802 C805 L810 L842 P861 D862 V866 F867 P868	V356-M864 HydrophobicContact CG1-CE 4.45Å; V356-M864 HydrophobicContact CG2-CE 3.93Å; Y802-M864 HydrophobicContact CD1-CE 3.8Å; Y802-M864 HydrophobicContact CD1-SD 4.03Å; Y802-M864 HydrophobicContact CE1-CE 3.95Å; Y802-M864 HydrophobicContact CE1-SD 4.16Å; C805-M864 HydrophobicContact CB-CE 3.91Å; L810-M864 HydrophobicContact CD1-CE 3.83Å; L842-M864 HydrophobicContact CD2-SD 4.4Å; P861-M864 HydrophobicContact CG-CB 3.91Å; P861-M864 HydrophobicContact CG-CG 4.02Å; P861-M864 HydrophobicContact CG-SD 3.91Å; P861-M864 CarbonylContact O-C 3.48Å; P861-M864 PolarHBondContact O-N 3.45Å; D862-M864 PolarHBondContact O-N 3.18Å; M864-V866 PolarHBondContact O-N 3.27Å; M864-V866 VanDerWaalsContact O-N 3.08Å; M864-F867 HydrophobicContact CB-CB 3.96Å; M864-F867 WeakPolarHBondContact O-CB 3.31Å; M864-F867 PolarHBondContact O-N 2.92Å; M864-P868 WeakPolarHBondContact O-CD 3.07Å
865	K	92.4	Very high	94.2	Very high	83 Å²	83	30.9 Å²	30.9	36%	0.361	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-47.4	-40.9	178.9	-88.6	169.8	170.2	166.6	0	113.4	P290 L860 P861 D862	P290-K865 HydrophobicContact CB-CB 4.31Å; P290-K865 WeakPolarHBondContact CB-O 3.42Å; L860-K865 WeakPolarHBondContact CD1-O 3.28Å; P861-K865 PolarHBondContact O-N 2.97Å; P861-K865 VanDerWaalsContact O-N 3.1Å; D862-K865 PolarHBondContact O-N 3.49Å; D862-K865 WeakPolarHBondContact OD1-CE 3.39Å; D862-K865 IonicContact OD1-NZ 2.65Å; D862-K865 PolarHBondContact OD1-NZ 2.97Å
866	V	96.7	Very high	94.8	Very high	7 Å²	7	28.9 Å²	28.9	4%	0.042	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.8	1.1	-177	-65.4	0	0	0	0	113.6	P290 V295 T807 M864 P868 V869 Y870	P290-V866 HydrophobicContact CB-CG1 4.27Å; V295-V866 HydrophobicContact CB-CG1 4.37Å; V295-V866 HydrophobicContact CG1-CG2 4.42Å; V295-V866 HydrophobicContact CG2-CG1 3.81Å; T807-V866 HydrophobicContact CG2-CG2 4.22Å; M864-V866 PolarHBondContact O-N 3.27Å; M864-V866 VanDerWaalsContact O-N 3.08Å; V866-P868 VanDerWaalsContact C-CD 3.49Å; V866-P868 VanDerWaalsContact C-N 3.32Å; V866-V869 HydrophobicContact CB-CG1 3.9Å; V866-V869 HydrophobicContact CG1-CG1 4.42Å; V866-V869 WeakPolarHBondContact O-CG1 3.26Å; V866-V869 PolarHBondContact O-N 3.44Å; V866-Y870 HydrophobicContact CB-CD2 4.46Å; V866-Y870 HydrophobicContact CB-CE2 4.43Å; V866-Y870 HydrophobicContact CG2-CD2 4.26Å; V866-Y870 HydrophobicContact CG2-CE2 3.92Å; V866-Y870 WeakPolarHBondContact O-CD2 3.21Å; V866-Y870 PolarHBondContact O-N 3.42Å
867	F	97.9	Very high	95.3	Very high	1 Å²	1	24.8 Å²	24.8	0%	0.004	13%	0.126	C	C	.	.	H	α-helix	trans	-55.2	-39.7	174.5	179.4	-103.7	0	0	0	113.2	T807 L810 F814 T838 M841 M864 V869 Y870 M871	T807-F867 HydrophobicContact CG2-CB 4.09Å; T807-F867 HydrophobicContact CG2-CD2 4.35Å; L810-F867 HydrophobicContact CB-CD2 4.22Å; L810-F867 HydrophobicContact CB-CE2 4Å; F814-F867 AromaticContact CD2-CE2 3.76Å; F814-F867 HydrophobicContact CD2-CE2 3.76Å; F814-F867 AromaticContact CD2-CZ 3.74Å; F814-F867 HydrophobicContact CD2-CZ 3.74Å; F814-F867 AromaticContact CE2-CE2 3.8Å; F814-F867 HydrophobicContact CE2-CE2 3.8Å; F814-F867 AromaticContact CE2-CZ 3.49Å; F814-F867 HydrophobicContact CE2-CZ 3.49Å; F814-F867 VanDerWaalsContact CE2-CZ 3.49Å; F814-F867 HydrophobicContact CZ-CZ 4.34Å; T838-F867 HydrophobicContact CG2-CD1 4.27Å; T838-F867 HydrophobicContact CG2-CE1 3.87Å; M841-F867 HydrophobicContact CE-CE1 3.49Å; M841-F867 VanDerWaalsContact CE-CE1 3.49Å; M841-F867 HydrophobicContact CE-CZ 3.63Å; M864-F867 HydrophobicContact CB-CB 3.96Å; M864-F867 WeakPolarHBondContact O-CB 3.31Å; M864-F867 PolarHBondContact O-N 2.92Å; F867-V869 PolarHBondContact O-N 3.49Å; F867-Y870 PolarHBondContact O-N 3.34Å; F867-M871 HydrophobicContact CE1-CE 4.2Å; F867-M871 HydrophobicContact CE2-CE 4.05Å; F867-M871 HydrophobicContact CZ-CE 3.46Å; F867-M871 VanDerWaalsContact CZ-CE 3.46Å; F867-M871 WeakPolarHBondContact O-CB 3.04Å; F867-M871 PolarHBondContact O-N 3.19Å
868	P	97.8	Very high	95.6	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-66.3	-31.8	177.4	-23.1	35.3	0	0	0	114.9	L842 L860 M864 V866 N872 Y1042 F1045 L1046	L842-P868 HydrophobicContact CD1-CG 4.16Å; L860-P868 HydrophobicContact CD1-CG 4.34Å; M864-P868 WeakPolarHBondContact O-CD 3.07Å; V866-P868 VanDerWaalsContact C-CD 3.49Å; V866-P868 VanDerWaalsContact C-N 3.32Å; P868-N872 PolarHBondContact O-N 2.88Å; P868-Y1042 HydrophobicContact CB-CE2 4.25Å; P868-F1045 HydrophobicContact CB-CD1 4.37Å; P868-F1045 HydrophobicContact CB-CE1 4.18Å; P868-F1045 VanDerWaalsContact O-CD1 3.26Å; P868-F1045 WeakPolarHBondContact O-CD1 3.41Å; P868-F1045 WeakPolarHBondContact O-CE1 3.46Å; P868-L1046 HydrophobicContact CB-CD2 3.85Å; P868-L1046 HydrophobicContact CG-CD2 4.28Å
869	V	97.6	Very high	96	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-73.1	-42.3	177.4	54.2	0	0	0	0	111	T292 V866 F867 M871 N872 S873 Y911 E1032 Y1042	T292-V869 WeakPolarHBondContact OG1-CG1 3.46Å; V866-V869 HydrophobicContact CB-CG1 3.9Å; V866-V869 HydrophobicContact CG1-CG1 4.42Å; V866-V869 WeakPolarHBondContact O-CG1 3.26Å; V866-V869 PolarHBondContact O-N 3.44Å; F867-V869 PolarHBondContact O-N 3.49Å; V869-M871 VanDerWaalsContact C-N 3.34Å; V869-M871 PolarHBondContact O-N 3.38Å; V869-N872 PolarHBondContact O-N 3.29Å; V869-S873 PolarHBondContact O-N 3.29Å; V869-Y911 HydrophobicContact CG2-CD2 4.21Å; V869-Y911 HydrophobicContact CG2-CE2 4Å; V869-E1032 HydrophobicContact CG2-CG 4.03Å; V869-Y1042 HydrophobicContact CB-CD1 4.11Å; V869-Y1042 HydrophobicContact CB-CD2 3.64Å; V869-Y1042 HydrophobicContact CB-CE1 4.04Å; V869-Y1042 HydrophobicContact CB-CE2 3.56Å; V869-Y1042 HydrophobicContact CB-CG 3.94Å; V869-Y1042 HydrophobicContact CG1-CE2 4.43Å; V869-Y1042 HydrophobicContact CG2-CD1 4.14Å; V869-Y1042 HydrophobicContact CG2-CD2 4.16Å; V869-Y1042 HydrophobicContact CG2-CE1 4.48Å; V869-Y1042 HydrophobicContact CG2-CE2 4.5Å; V869-Y1042 HydrophobicContact CG2-CG 4Å
870	Y	98.4	Very high	96.2	Very high	3 Å²	3	15.9 Å²	15.9	1%	0.012	8%	0.083	C	C	.	.	H	α-helix	trans	-59.9	-42.3	172.2	-77.1	-64.9	0	0	0	112.4	T292 T807 D808 I811 V866 F867 S873 L874 Q907 L910 Y911	T292-Y870 HydrophobicContact CG2-CE1 4.48Å; T292-Y870 HydrophobicContact CG2-CE2 4.15Å; T807-Y870 HydrophobicContact CG2-CD2 3.4Å; T807-Y870 VanDerWaalsContact CG2-CD2 3.4Å; T807-Y870 HydrophobicContact CG2-CE2 3.69Å; T807-Y870 HydrophobicContact CG2-CG 4.45Å; D808-Y870 WeakPolarHBondContact OD1-CE2 3.43Å; D808-Y870 PolarHBondContact OD1-OH 3.01Å; I811-Y870 HydrophobicContact CG2-CD1 4.46Å; I811-Y870 HydrophobicContact CG2-CG 4.44Å; V866-Y870 HydrophobicContact CB-CD2 4.46Å; V866-Y870 HydrophobicContact CB-CE2 4.43Å; V866-Y870 HydrophobicContact CG2-CD2 4.26Å; V866-Y870 HydrophobicContact CG2-CE2 3.92Å; V866-Y870 WeakPolarHBondContact O-CD2 3.21Å; V866-Y870 PolarHBondContact O-N 3.42Å; F867-Y870 PolarHBondContact O-N 3.34Å; Y870-S873 PolarHBondContact O-N 2.91Å; Y870-L874 PolarHBondContact O-N 3.42Å; Y870-Q907 HydrophobicContact CE1-CG 4.29Å; Y870-Q907 WeakPolarHBondContact OH-CG 3.22Å; Y870-Q907 PolarHBondContact OH-NE2 3.08Å; Y870-L910 HydrophobicContact CD1-CB 4.34Å; Y870-Y911 VanDerWaalsContact CE1-CB 3.5Å; Y870-Y911 HydrophobicContact CE1-CG 4.46Å
871	M	98.2	Very high	96.1	Very high	0 Å²	0	15 Å²	15	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-65	-40.1	176.2	-174.1	58.7	67.7	0	0	112.6	I811 F814 L834 F867 V869 S873 L874 M875 F1045	I811-M871 HydrophobicContact CD1-CB 4.44Å; I811-M871 HydrophobicContact CD1-CE 3.96Å; I811-M871 HydrophobicContact CD1-SD 4.37Å; F814-M871 HydrophobicContact CB-CE 3.94Å; F814-M871 HydrophobicContact CD1-CE 4.22Å; F814-M871 HydrophobicContact CD2-CE 3.81Å; F814-M871 HydrophobicContact CE2-CE 4.39Å; F814-M871 HydrophobicContact CG-CE 3.73Å; L834-M871 HydrophobicContact CB-SD 3.87Å; L834-M871 HydrophobicContact CD1-SD 4.23Å; L834-M871 HydrophobicContact CD2-CE 4.18Å; L834-M871 HydrophobicContact CD2-SD 4.04Å; L834-M871 HydrophobicContact CG-SD 4.27Å; F867-M871 HydrophobicContact CE1-CE 4.2Å; F867-M871 HydrophobicContact CE2-CE 4.05Å; F867-M871 HydrophobicContact CZ-CE 3.46Å; F867-M871 VanDerWaalsContact CZ-CE 3.46Å; F867-M871 WeakPolarHBondContact O-CB 3.04Å; F867-M871 PolarHBondContact O-N 3.19Å; V869-M871 VanDerWaalsContact C-N 3.34Å; V869-M871 PolarHBondContact O-N 3.38Å; M871-S873 VanDerWaalsContact C-N 3.33Å; M871-S873 PolarHBondContact O-N 3.13Å; M871-L874 PolarHBondContact O-N 2.93Å; M871-L874 HydrophobicContact SD-CD2 4.17Å; M871-M875 PolarHBondContact O-N 3.16Å; M871-F1045 HydrophobicContact CB-CE1 4.21Å; M871-F1045 HydrophobicContact CB-CZ 4.46Å; M871-F1045 HydrophobicContact CG-CE1 4.33Å; M871-F1045 HydrophobicContact CG-CZ 4.08Å
872	N	97.9	Very high	95.3	Very high	2 Å²	2	15.2 Å²	15.2	1%	0.011	8%	0.081	C	C	.	.	H	α-helix	trans	-62.4	-41.7	173.8	-169.8	50.1	0	0	0	111.9	P868 V869 M875 K876 A1040 F1045	P868-N872 PolarHBondContact O-N 2.88Å; V869-N872 PolarHBondContact O-N 3.29Å; N872-M875 PolarHBondContact O-N 3.45Å; N872-K876 PolarHBondContact O-N 2.76Å; N872-A1040 PolarHBondContact ND2-O 2.66Å; N872-F1045 HydrophobicContact CB-CB 4.08Å; N872-F1045 HydrophobicContact CB-CD1 3.65Å; N872-F1045 HydrophobicContact CB-CE1 4.25Å; N872-F1045 HydrophobicContact CB-CG 3.89Å
873	S	97.8	Very high	95.1	Very high	5 Å²	5	10.3 Å²	10.3	4%	0.035	6%	0.057	C	C	.	.	H	α-helix	trans	-64.2	-44.5	177.1	-171.1	0	0	0	0	112.2	V869 Y870 M871 M875 K876 T877 L910 V1031	V869-S873 PolarHBondContact O-N 3.29Å; Y870-S873 PolarHBondContact O-N 2.91Å; M871-S873 VanDerWaalsContact C-N 3.33Å; M871-S873 PolarHBondContact O-N 3.13Å; S873-M875 VanDerWaalsContact C-N 3.27Å; S873-M875 PolarHBondContact O-N 3.44Å; S873-K876 CarbonylContact O-C 3.57Å; S873-K876 WeakPolarHBondContact O-CA 3.26Å; S873-K876 PolarHBondContact O-N 3.33Å; S873-T877 PolarHBondContact O-N 3.35Å; S873-L910 WeakPolarHBondContact CB-O 3.43Å; S873-L910 PolarHBondContact OG-O 3.04Å; S873-V1031 WeakPolarHBondContact OG-CB 3.49Å; S873-V1031 WeakPolarHBondContact OG-CG1 3.42Å
874	L	97.8	Very high	94.8	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-52.9	-45	174.1	175.3	57.7	0	0	0	111.6	I811 F814 A815 Y819 L834 Y870 M871 K876 T877 L880 L910	I811-L874 HydrophobicContact CD1-CB 4.13Å; I811-L874 HydrophobicContact CD1-CD2 3.86Å; I811-L874 HydrophobicContact CG1-CD2 4.48Å; F814-L874 HydrophobicContact CB-CD2 4.11Å; A815-L874 HydrophobicContact CB-CD1 3.74Å; A815-L874 HydrophobicContact CB-CD2 4.19Å; Y819-L874 HydrophobicContact CE1-CD1 4Å; L834-L874 HydrophobicContact CD1-CD2 4.23Å; Y870-L874 PolarHBondContact O-N 3.42Å; M871-L874 PolarHBondContact O-N 2.93Å; M871-L874 HydrophobicContact SD-CD2 4.17Å; L874-K876 PolarHBondContact O-N 3.3Å; L874-T877 HydrophobicContact CD1-CG2 4.43Å; L874-T877 WeakPolarHBondContact O-CB 3.46Å; L874-T877 WeakPolarHBondContact O-CG2 3.43Å; L874-T877 PolarHBondContact O-N 3.1Å; L874-T877 VanDerWaalsContact O-N 3.16Å; L874-T877 PolarHBondContact O-OG1 2.93Å; L874-L880 HydrophobicContact CD1-CD1 4.14Å; L874-L880 HydrophobicContact CG-CD1 4.09Å; L874-L910 HydrophobicContact CB-CD1 4.47Å; L874-L910 HydrophobicContact CB-CD2 4.28Å; L874-L910 HydrophobicContact CD1-CD2 4.22Å
875	M	96	Very high	94.6	Very high	14 Å²	14	18.7 Å²	18.7	7%	0.069	10%	0.098	C	C	.	.	H	α-helix	trans	-67.5	-17.8	177	-67.4	-167.5	-65.7	0	0	114.8	R831 L834 V835 M871 N872 S873 F1045	R831-M875 HydrophobicContact CB-SD 4.41Å; R831-M875 HydrophobicContact CG-CG 4.41Å; L834-M875 HydrophobicContact CD1-CG 4.47Å; V835-M875 HydrophobicContact CG2-CE 4.01Å; V835-M875 HydrophobicContact CG2-SD 3.59Å; V835-M875 VanDerWaalsContact CG2-SD 3.59Å; M871-M875 PolarHBondContact O-N 3.16Å; N872-M875 PolarHBondContact O-N 3.45Å; S873-M875 VanDerWaalsContact C-N 3.27Å; S873-M875 PolarHBondContact O-N 3.44Å; M875-F1045 HydrophobicContact CE-CD2 3.69Å; M875-F1045 HydrophobicContact CE-CE2 3.29Å; M875-F1045 HydrophobicContact CE-CG 4.48Å; M875-F1045 HydrophobicContact CE-CZ 3.75Å
876	K	96.4	Very high	94.5	Very high	25 Å²	25	16 Å²	16	11%	0.109	9%	0.087	C	C	.	.	H	α-helix	trans	-92	-5.5	174.3	-70.4	-168.6	-67.2	172.3	0	113.9	N872 S873 L874 V1031 D1033	N872-K876 PolarHBondContact O-N 2.76Å; S873-K876 CarbonylContact O-C 3.57Å; S873-K876 WeakPolarHBondContact O-CA 3.26Å; S873-K876 PolarHBondContact O-N 3.33Å; L874-K876 PolarHBondContact O-N 3.3Å; K876-V1031 WeakPolarHBondContact CE-O 3.48Å; K876-V1031 VanDerWaalsContact NZ-C 3.27Å; K876-V1031 PolarHBondContact NZ-O 2.9Å; K876-D1033 PolarHBondContact NZ-O 3.24Å
877	T	95.8	Very high	94.4	Very high	11 Å²	11	17.6 Å²	17.6	7%	0.067	10%	0.099	C	C	.	.	S	Bend	trans	-60.8	153.8	174.1	61.4	0	0	0	0	112.2	Y819 S873 L874 P879 L880 V881 L910	Y819-T877 WeakPolarHBondContact OH-CB 3.5Å; Y819-T877 WeakPolarHBondContact OH-CG2 2.84Å; Y819-T877 PolarHBondContact OH-OG1 2.97Å; S873-T877 PolarHBondContact O-N 3.35Å; L874-T877 HydrophobicContact CD1-CG2 4.43Å; L874-T877 WeakPolarHBondContact O-CB 3.46Å; L874-T877 WeakPolarHBondContact O-CG2 3.43Å; L874-T877 PolarHBondContact O-N 3.1Å; L874-T877 VanDerWaalsContact O-N 3.16Å; L874-T877 PolarHBondContact O-OG1 2.93Å; T877-P879 VanDerWaalsContact C-CD 3.48Å; T877-L880 PolarHBondContact O-N 3.31Å; T877-V881 PolarHBondContact O-N 2.57Å; T877-L910 HydrophobicContact CG2-CD2 3.53Å
878	A	94.5	Very high	94.2	Very high	9 Å²	9	17.9 Å²	17.9	7%	0.074	10%	0.1	C	C	.	.	H	α-helix	trans	-56.8	-38.6	-175	0	0	0	0	0	113.8	L880 L886 R891	A878-L880 VanDerWaalsContact C-N 3.35Å; A878-L880 PolarHBondContact O-N 3.19Å; A878-L886 HydrophobicContact CB-CD1 3.99Å; A878-R891 HydrophobicContact CB-CG 4.02Å; A878-R891 WeakPolarHBondContact O-CG 3.49Å; A878-R891 PolarHBondContact O-NE 3.08Å
879	P	95.8	Very high	94.2	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-59.7	-39.5	174.1	-26.2	36.4	0	0	0	113.8	Y819 I822 T877 R891 Q894 R895	Y819-P879 HydrophobicContact CD1-CB 4.24Å; Y819-P879 HydrophobicContact CE1-CB 3.84Å; Y819-P879 HydrophobicContact CE1-CG 3.96Å; Y819-P879 HydrophobicContact CE2-CG 4.08Å; I822-P879 HydrophobicContact CD1-CB 4.01Å; T877-P879 VanDerWaalsContact C-CD 3.48Å; P879-R891 PolarHBondContact O-NH2 3.1Å; P879-Q894 HydrophobicContact CG-CB 4.19Å; P879-Q894 HydrophobicContact CG-CG 4.29Å; P879-R895 HydrophobicContact CG-CB 4.18Å
880	L	95.9	Very high	94	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-98.1	-22	-170.1	-64.3	-179.2	0	0	0	114.9	A818 Y819 I822 V827 V830 R831 L834 L874 T877 A878 G882	A818-L880 HydrophobicContact CB-CD1 4.3Å; Y819-L880 HydrophobicContact CE1-CD1 4.13Å; Y819-L880 HydrophobicContact CE1-CG 4.05Å; I822-L880 HydrophobicContact CG2-CD2 3.8Å; V827-L880 HydrophobicContact CG1-CD2 4.13Å; V827-L880 VanDerWaalsContact CG1-O 3.24Å; V827-L880 WeakPolarHBondContact CG1-O 3.36Å; V830-L880 HydrophobicContact CG1-CD2 4.26Å; R831-L880 VanDerWaalsContact CD-O 3.26Å; R831-L880 WeakPolarHBondContact CD-O 3.39Å; R831-L880 HydrophobicContact CG-CB 4.46Å; R831-L880 PolarHBondContact NH1-O 2.93Å; L834-L880 HydrophobicContact CD1-CD1 4.05Å; L874-L880 HydrophobicContact CD1-CD1 4.14Å; L874-L880 HydrophobicContact CG-CD1 4.09Å; T877-L880 PolarHBondContact O-N 3.31Å; A878-L880 VanDerWaalsContact C-N 3.35Å; A878-L880 PolarHBondContact O-N 3.19Å; L880-G882 VanDerWaalsContact C-N 3.34Å; L880-G882 PolarHBondContact O-N 3.11Å
881	V	91.1	Very high	93.9	Very high	11 Å²	11	20.8 Å²	20.8	7%	0.067	12%	0.116	C	C	.	.	H	α-helix	trans	-66.9	-33.4	-175.5	74.3	0	0	0	0	113.3	R831 T877 L886 H1037 G1038	R831-V881 PolarHBondContact NH1-O 3.42Å; R831-V881 VanDerWaalsContact NH1-O 3.16Å; T877-V881 PolarHBondContact O-N 2.57Å; V881-L886 HydrophobicContact CG1-CD1 3.45Å; V881-L886 VanDerWaalsContact CG1-CD1 3.45Å; V881-H1037 HydrophobicContact CG1-CB 4.26Å; V881-H1037 HydrophobicContact CG2-CB 4.19Å; V881-H1037 WeakPolarHBondContact CG2-O 3.24Å; V881-G1038 VanDerWaalsContact CG2-O 3.28Å; V881-G1038 WeakPolarHBondContact CG2-O 3.44Å
882	G	79.1	Confident	93.8	Very high	5 Å²	5	20.8 Å²	20.8	5%	0.052	12%	0.116	C	C	.	.			trans	78.7	33.9	173.6	0	0	0	0	0	115.2	V627 N628 L880	V627-G882 VanDerWaalsContact CG1-O 3.31Å; V627-G882 WeakPolarHBondContact CG1-O 3.41Å; N628-G882 PolarHBondContact ND2-O 2.84Å; N628-G882 PolarHBondContact OD1-O 3.09Å; L880-G882 VanDerWaalsContact C-N 3.34Å; L880-G882 PolarHBondContact O-N 3.11Å
883	S	88.7	Confident	93.7	Very high	14 Å²	14	22.6 Å²	22.6	10%	0.098	12%	0.124	C	C	.	.			trans	-93.2	144.6	177.1	177	0	0	0	0	112.8	E885	S883-E885 VanDerWaalsContact C-N 3.32Å; S883-E885 WeakPolarHBondContact OG-CB 3.45Å; S883-E885 PolarHBondContact OG-N 3.21Å; S883-E885 VanDerWaalsContact OG-N 3.07Å; S883-E885 PolarHBondContact OG-OE2 3.46Å
884	T	89.9	Confident	93.6	Very high	69 Å²	69	24 Å²	24	42%	0.423	13%	0.13	S	C	.	.	S	Bend	trans	-82.6	-7	172.2	50.9	0	0	0	0	113.3	K624 V627	K624-T884 HydrophobicContact CB-CG2 4.24Å; K624-T884 PolarHBondContact NZ-O 3.04Å; K624-T884 WeakPolarHBondContact O-CG2 3.34Å; V627-T884 HydrophobicContact CB-CG2 3.84Å; V627-T884 HydrophobicContact CG1-CG2 4.08Å; V627-T884 HydrophobicContact CG2-CG2 4.08Å
885	E	90.1	Very high	93.5	Very high	134 Å²	134	24.5 Å²	24.5	63%	0.626	13%	0.132	S	C	*	.	S	Bend	trans	-77.8	-32.7	173.9	-58.9	171.1	132.5	0	0	111.4	S883 H1037	S883-E885 VanDerWaalsContact C-N 3.32Å; S883-E885 WeakPolarHBondContact OG-CB 3.45Å; S883-E885 PolarHBondContact OG-N 3.21Å; S883-E885 VanDerWaalsContact OG-N 3.07Å; S883-E885 PolarHBondContact OG-OE2 3.46Å; E885-H1037 IonicContact OE2-CE1 3.85Å; E885-H1037 IonicContact OE2-CG 3.6Å; E885-H1037 IonicContact OE2-ND1 3.65Å; E885-H1037 PolarHBondContact OE2-ND1 3.49Å
886	L	91.6	Very high	93.5	Very high	26 Å²	26	25 Å²	25	14%	0.136	14%	0.135	C	C	.	.	S	Bend	trans	-76.2	140.6	176.4	-64.6	172.4	0	0	0	110.7	A878 V881 R891 H1037	A878-L886 HydrophobicContact CB-CD1 3.99Å; V881-L886 HydrophobicContact CG1-CD1 3.45Å; V881-L886 VanDerWaalsContact CG1-CD1 3.45Å; L886-R891 HydrophobicContact CB-CG 4.19Å; L886-H1037 HydrophobicContact CD1-CB 4.5Å
887	S	93.6	Very high	93.4	Very high	41 Å²	41	25.1 Å²	25.1	29%	0.287	14%	0.139	S	C	.	.			trans	-74.5	141.7	178.3	93.3	0	0	0	0	111.4	D889 D890 R891	S887-D889 PolarHBondContact O-N 2.97Å; S887-D890 WeakPolarHBondContact CB-OD2 3.37Å; S887-D890 PolarHBondContact O-N 3.35Å; S887-D890 PolarHBondContact OG-N 3.14Å; S887-D890 PolarHBondContact OG-OD2 2.99Å; S887-R891 WeakPolarHBondContact O-CG 3.35Å; S887-R891 PolarHBondContact O-N 2.97Å; S887-R891 VanDerWaalsContact O-N 3.09Å
888	T	95.1	Very high	93.4	Very high	7 Å²	7	24.8 Å²	24.8	4%	0.043	14%	0.137	C	C	.	.	H	α-helix	trans	-57.2	-35.6	175.6	-65.7	0	0	0	0	111.8	D622 L635 Y666 A892	D622-T888 VanDerWaalsContact OD1-CB 3.23Å; D622-T888 WeakPolarHBondContact OD1-CB 3.14Å; D622-T888 PolarHBondContact OD1-OG1 3.47Å; L635-T888 HydrophobicContact CB-CG2 3.86Å; L635-T888 HydrophobicContact CD2-CG2 4.46Å; Y666-T888 HydrophobicContact CE2-CG2 4.3Å; T888-A892 VanDerWaalsContact O-CB 3.28Å; T888-A892 WeakPolarHBondContact O-CB 3.41Å; T888-A892 PolarHBondContact O-N 3.04Å
889	D	96.1	Very high	93.5	Very high	5 Å²	5	25.6 Å²	25.6	3%	0.027	14%	0.139	C	C	.	.	H	α-helix	trans	-71.5	-37.4	178.1	-71.2	-26	0	0	0	113.1	Y666 L667 L669 S887 A892 H893	Y666-D889 WeakPolarHBondContact CA-OD2 3.49Å; Y666-D889 VanDerWaalsContact CD2-CG 3.5Å; Y666-D889 WeakPolarHBondContact CD2-OD1 3.36Å; Y666-D889 WeakPolarHBondContact CD2-OD2 3.32Å; Y666-D889 VanDerWaalsContact CE2-OD1 3.3Å; Y666-D889 WeakPolarHBondContact CE2-OD1 3.28Å; L667-D889 PolarHBondContact N-OD2 2.98Å; L669-D889 HydrophobicContact CB-CB 3.96Å; L669-D889 VanDerWaalsContact CB-OD1 3.24Å; L669-D889 WeakPolarHBondContact CB-OD1 3.41Å; L669-D889 HydrophobicContact CD2-CB 4.43Å; L669-D889 VanDerWaalsContact CD2-O 3.27Å; L669-D889 WeakPolarHBondContact CD2-O 3.31Å; L669-D889 PolarHBondContact N-OD1 2.87Å; S887-D889 PolarHBondContact O-N 2.97Å; D889-A892 PolarHBondContact O-N 2.7Å; D889-H893 VanDerWaalsContact O-CB 3.26Å; D889-H893 WeakPolarHBondContact O-CB 3.49Å; D889-H893 PolarHBondContact O-N 2.87Å
890	D	94.5	Very high	93.5	Very high	57 Å²	57	26.3 Å²	26.3	31%	0.305	15%	0.146	S	C	.	.	H	α-helix	trans	-70.2	-37	176	-60	-49.6	0	0	0	111	K685 N687 S887 H893 Q894	K685-D890 IonicContact NZ-OD1 3.71Å; K685-D890 PolarHBondContact NZ-OD1 2.63Å; N687-D890 PolarHBondContact ND2-OD1 2.64Å; N687-D890 VanDerWaalsContact ND2-OD1 3.15Å; S887-D890 WeakPolarHBondContact CB-OD2 3.37Å; S887-D890 PolarHBondContact O-N 3.35Å; S887-D890 PolarHBondContact OG-N 3.14Å; S887-D890 PolarHBondContact OG-OD2 2.99Å; D890-H893 PolarHBondContact O-N 2.73Å; D890-Q894 PolarHBondContact O-N 2.82Å
891	R	96.1	Very high	93.6	Very high	2 Å²	2	27 Å²	27	1%	0.008	15%	0.149	C	C	.	.	H	α-helix	trans	-62.4	-42.9	170.6	-62	178.8	72.3	-155	-2.1	111.2	E632 F636 A878 P879 L886 S887 R895	E632-R891 IonicContact OE1-CZ 3.15Å; E632-R891 IonicContact OE1-NH1 3.1Å; E632-R891 PolarHBondContact OE1-NH1 2.85Å; E632-R891 IonicContact OE1-NH2 2.74Å; E632-R891 PolarHBondContact OE1-NH2 3.32Å; F636-R891 HydrophobicContact CE1-CB 3.82Å; F636-R891 HydrophobicContact CZ-CB 4.01Å; A878-R891 HydrophobicContact CB-CG 4.02Å; A878-R891 WeakPolarHBondContact O-CG 3.49Å; A878-R891 PolarHBondContact O-NE 3.08Å; P879-R891 PolarHBondContact O-NH2 3.1Å; L886-R891 HydrophobicContact CB-CG 4.19Å; S887-R891 WeakPolarHBondContact O-CG 3.35Å; S887-R891 PolarHBondContact O-N 2.97Å; S887-R891 VanDerWaalsContact O-N 3.09Å; R891-R895 WeakPolarHBondContact O-CB 3.46Å; R891-R895 PolarHBondContact O-N 2.85Å; R891-R895 VanDerWaalsContact O-N 3.15Å
892	A	96.4	Very high	93.9	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-66.1	-39.3	176.3	0	0	0	0	0	112.2	L669 A670 T888 D889 R895 L896	L669-A892 HydrophobicContact CB-CB 4.46Å; A670-A892 HydrophobicContact CB-CB 4.31Å; T888-A892 VanDerWaalsContact O-CB 3.28Å; T888-A892 WeakPolarHBondContact O-CB 3.41Å; T888-A892 PolarHBondContact O-N 3.04Å; D889-A892 PolarHBondContact O-N 2.7Å; A892-R895 WeakPolarHBondContact O-CB 3.42Å; A892-R895 PolarHBondContact O-N 2.87Å; A892-L896 WeakPolarHBondContact O-CG 3.39Å; A892-L896 PolarHBondContact O-N 2.81Å; A892-L896 VanDerWaalsContact O-N 3.07Å
893	H	95.9	Very high	94.8	Very high	40 Å²	40	26.4 Å²	26.4	19%	0.185	14%	0.144	C	C	.	.	H	α-helix	trans	-63.5	-50.5	178.2	-174.8	49.1	0	0	0	112.1	L669 V683 D889 D890 R895 L896 S897	L669-H893 HydrophobicContact CD2-CB 3.54Å; V683-H893 PolarHBondContact O-CE1 3.16Å; D889-H893 VanDerWaalsContact O-CB 3.26Å; D889-H893 WeakPolarHBondContact O-CB 3.49Å; D889-H893 PolarHBondContact O-N 2.87Å; D890-H893 PolarHBondContact O-N 2.73Å; H893-R895 VanDerWaalsContact C-N 3.3Å; H893-R895 PolarHBondContact O-N 3.36Å; H893-L896 PolarHBondContact O-N 2.89Å; H893-S897 PolarHBondContact CE1-OG 3.49Å; H893-S897 WeakPolarHBondContact O-CB 3.45Å; H893-S897 PolarHBondContact O-N 2.89Å; H893-S897 PolarHBondContact O-OG 2.81Å
894	Q	95.7	Very high	95.1	Very high	35 Å²	35	28.6 Å²	28.6	16%	0.164	15%	0.153	C	C	.	.	H	α-helix	trans	-61.5	-40.4	177.1	-176.2	169.6	27.8	0	0	111.1	P879 D890 L896 V898	P879-Q894 HydrophobicContact CG-CB 4.19Å; P879-Q894 HydrophobicContact CG-CG 4.29Å; D890-Q894 PolarHBondContact O-N 2.82Å; Q894-L896 PolarHBondContact O-N 2.85Å; Q894-V898 HydrophobicContact CG-CG2 4.45Å; Q894-V898 WeakPolarHBondContact O-CG2 3.15Å; Q894-V898 PolarHBondContact O-N 2.83Å
895	R	96.3	Very high	95.4	Very high	9 Å²	9	26.4 Å²	26.4	3%	0.034	14%	0.139	C	C	.	.	H	α-helix	trans	-55.9	-52.4	176.6	-170.2	-164.9	89.2	-108.7	19.6	111.8	F636 Y819 I822 P879 R891 A892 H893	F636-R895 PolarHBondContact O-NH2 3.26Å; Y819-R895 HydrophobicContact CD2-CB 4.38Å; Y819-R895 HydrophobicContact CD2-CG 4.14Å; Y819-R895 WeakPolarHBondContact CD2-O 3.34Å; Y819-R895 HydrophobicContact CG-CG 4.08Å; I822-R895 HydrophobicContact CD1-CG 4.27Å; P879-R895 HydrophobicContact CG-CB 4.18Å; R891-R895 WeakPolarHBondContact O-CB 3.46Å; R891-R895 PolarHBondContact O-N 2.85Å; R891-R895 VanDerWaalsContact O-N 3.15Å; A892-R895 WeakPolarHBondContact O-CB 3.42Å; A892-R895 PolarHBondContact O-N 2.87Å; H893-R895 VanDerWaalsContact C-N 3.3Å; H893-R895 PolarHBondContact O-N 3.36Å
896	L	95	Very high	95.7	Very high	24 Å²	24	20.1 Å²	20.1	13%	0.126	11%	0.11	C	C	.	.	H	α-helix	trans	-73.2	-42.3	-174.3	-71	172.8	0	0	0	112.2	A673 A892 H893 Q894 V898 M899	A673-L896 HydrophobicContact CB-CD1 3.45Å; A673-L896 VanDerWaalsContact CB-CD1 3.45Å; A892-L896 WeakPolarHBondContact O-CG 3.39Å; A892-L896 PolarHBondContact O-N 2.81Å; A892-L896 VanDerWaalsContact O-N 3.07Å; H893-L896 PolarHBondContact O-N 2.89Å; Q894-L896 PolarHBondContact O-N 2.85Å; L896-V898 VanDerWaalsContact C-N 3.3Å; L896-V898 PolarHBondContact O-N 3.06Å; L896-M899 WeakPolarHBondContact O-CB 3.37Å; L896-M899 PolarHBondContact O-N 2.99Å; L896-M899 VanDerWaalsContact O-N 3.08Å
897	S	94.4	Very high	96	Very high	29 Å²	29	19.2 Å²	19.2	20%	0.203	11%	0.105	C	C	.	.	H	α-helix	trans	-58.8	-42	179.4	-54.1	0	0	0	0	111.8	H893 M899 A900 M901	H893-S897 PolarHBondContact CE1-OG 3.49Å; H893-S897 WeakPolarHBondContact O-CB 3.45Å; H893-S897 PolarHBondContact O-N 2.89Å; H893-S897 PolarHBondContact O-OG 2.81Å; S897-M899 VanDerWaalsContact C-N 3.29Å; S897-M899 PolarHBondContact O-N 3.26Å; S897-A900 PolarHBondContact O-N 3Å; S897-M901 WeakPolarHBondContact O-CG 3.49Å
898	V	96.3	Very high	96.1	Very high	4 Å²	4	17.4 Å²	17.4	2%	0.024	9%	0.092	C	C	.	.	H	α-helix	trans	-64.8	-28.3	177.9	166.8	0	0	0	0	113.1	A815 K816 Y819 Q894 L896 A900 M901	A815-V898 HydrophobicContact CB-CG1 3.94Å; K816-V898 WeakPolarHBondContact CE-O 3.33Å; K816-V898 HydrophobicContact CG-CG1 4.32Å; Y819-V898 HydrophobicContact CD2-CB 3.77Å; Y819-V898 HydrophobicContact CD2-CG1 3.74Å; Y819-V898 HydrophobicContact CD2-CG2 4.46Å; Y819-V898 HydrophobicContact CE2-CB 3.58Å; Y819-V898 HydrophobicContact CE2-CG1 3.68Å; Y819-V898 HydrophobicContact CE2-CG2 3.76Å; Q894-V898 HydrophobicContact CG-CG2 4.45Å; Q894-V898 WeakPolarHBondContact O-CG2 3.15Å; Q894-V898 PolarHBondContact O-N 2.83Å; L896-V898 VanDerWaalsContact C-N 3.3Å; L896-V898 PolarHBondContact O-N 3.06Å; V898-A900 PolarHBondContact O-N 3.31Å; V898-M901 HydrophobicContact CB-SD 4.4Å; V898-M901 HydrophobicContact CG2-CE 4.19Å; V898-M901 HydrophobicContact CG2-SD 3.81Å; V898-M901 PolarHBondContact O-N 3.46Å
899	M	96.9	Very high	96.1	Very high	25 Å²	25	17.9 Å²	17.9	12%	0.123	9%	0.094	C	C	.	.	H	α-helix	trans	-59.7	-35.7	175.7	-62.5	-57	-61.9	0	0	111.7	F730 G731 K816 L896 S897	F730-M899 HydrophobicContact CB-CE 3.91Å; F730-M899 HydrophobicContact CD1-CE 4.3Å; G731-M899 VanDerWaalsContact CA-O 3.28Å; G731-M899 WeakPolarHBondContact CA-O 3.48Å; K816-M899 HydrophobicContact CB-CE 4.26Å; K816-M899 HydrophobicContact CB-SD 4.06Å; K816-M899 WeakPolarHBondContact CD-O 3.26Å; K816-M899 WeakPolarHBondContact CE-O 3.39Å; K816-M899 HydrophobicContact CG-SD 4.34Å; K816-M899 PolarHBondContact NZ-O 3Å; L896-M899 WeakPolarHBondContact O-CB 3.37Å; L896-M899 PolarHBondContact O-N 2.99Å; L896-M899 VanDerWaalsContact O-N 3.08Å; S897-M899 VanDerWaalsContact C-N 3.29Å; S897-M899 PolarHBondContact O-N 3.26Å
900	A	95.4	Very high	96.2	Very high	16 Å²	16	17.8 Å²	17.8	13%	0.132	9%	0.093	C	C	.	.	H	α-helix	trans	-82	-14.2	179.9	0	0	0	0	0	114.6	A732 K750 A751 S897 V898	A732-A900 HydrophobicContact CB-CB 3.95Å; K750-A900 HydrophobicContact CD-CB 4.16Å; A751-A900 PolarHBondContact N-O 3.09Å; S897-A900 PolarHBondContact O-N 3Å; V898-A900 PolarHBondContact O-N 3.31Å
901	M	96.9	Very high	96.3	Very high	14 Å²	14	15.3 Å²	15.3	7%	0.069	8%	0.08	C	C	.	.			trans	-72.6	143.1	-165.7	-79.8	177.8	-169.7	0	0	115.1	N812 K816 S897 V898 D905 H950	N812-M901 PolarHBondContact ND2-O 3.49Å; K816-M901 VanDerWaalsContact CE-O 3.29Å; K816-M901 WeakPolarHBondContact CE-O 3.46Å; K816-M901 PolarHBondContact NZ-O 3.01Å; S897-M901 WeakPolarHBondContact O-CG 3.49Å; V898-M901 HydrophobicContact CB-SD 4.4Å; V898-M901 HydrophobicContact CG2-CE 4.19Å; V898-M901 HydrophobicContact CG2-SD 3.81Å; V898-M901 PolarHBondContact O-N 3.46Å; M901-D905 HydrophobicContact CB-CB 3.94Å; M901-D905 HydrophobicContact CG-CB 3.77Å; M901-D905 HydrophobicContact SD-CB 4.14Å; M901-H950 VanDerWaalsContact CE-CE1 3.45Å; M901-H950 WeakPolarHBondContact CE-CE1 3.47Å; M901-H950 VanDerWaalsContact CE-NE2 3.31Å; M901-H950 WeakPolarHBondContact CE-NE2 3.34Å
902	G	97.4	Very high	96.4	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	8%	0.08	C	C	.	.			trans	-67.9	176.9	162	0	0	0	0	0	112.6	N812 E904 D905 S906	N812-G902 PolarHBondContact ND2-O 3.33Å; G902-E904 VanDerWaalsContact C-OE2 3.32Å; G902-E904 WeakPolarHBondContact CA-OE2 3.28Å; G902-D905 PolarHBondContact N-OD2 3.02Å; G902-S906 WeakPolarHBondContact O-CB 3.36Å; G902-S906 PolarHBondContact O-N 3.15Å; G902-S906 VanDerWaalsContact O-N 3.16Å; G902-S906 PolarHBondContact O-OG 2.98Å; G902-S906 VanDerWaalsContact O-OG 3.04Å
903	V	98.3	Very high	96.4	Very high	3 Å²	3	18.7 Å²	18.7	2%	0.018	9%	0.092	C	C	.	.	H	α-helix	trans	-65.5	-47.7	178.7	-179.3	0	0	0	0	109.6	V320 R338 I361 D808 D905 S906 Q907	V320-V903 HydrophobicContact CG1-CB 3.9Å; V320-V903 HydrophobicContact CG1-CG1 3.65Å; V320-V903 HydrophobicContact CG2-CG1 4.19Å; R338-V903 HydrophobicContact CB-CG2 4.2Å; I361-V903 HydrophobicContact CB-CG2 3.64Å; I361-V903 HydrophobicContact CD1-CG2 4.31Å; I361-V903 HydrophobicContact CG1-CG2 3.78Å; I361-V903 HydrophobicContact CG2-CG2 3.72Å; D808-V903 HydrophobicContact CB-CG1 3.49Å; D808-V903 VanDerWaalsContact CB-CG1 3.49Å; V903-D905 VanDerWaalsContact C-N 3.35Å; V903-D905 PolarHBondContact O-N 3.18Å; V903-S906 PolarHBondContact O-N 2.88Å; V903-S906 PolarHBondContact O-OG 3.15Å; V903-Q907 VanDerWaalsContact O-CB 3.28Å; V903-Q907 WeakPolarHBondContact O-CB 3.29Å; V903-Q907 PolarHBondContact O-N 2.97Å
904	E	95.9	Very high	96.5	Very high	60 Å²	60	16.8 Å²	16.8	28%	0.28	8%	0.084	S	C	.	.	H	α-helix	trans	-57.4	-40.6	178.2	67.8	-81.2	-147.1	0	0	113.6	V320 K363 G902 L908	V320-E904 HydrophobicContact CB-CB 4.03Å; V320-E904 HydrophobicContact CG1-CB 4.4Å; V320-E904 HydrophobicContact CG2-CB 4.46Å; K363-E904 WeakPolarHBondContact CD-OE1 3.38Å; K363-E904 IonicContact NZ-OE1 3.53Å; K363-E904 PolarHBondContact NZ-OE1 3.26Å; G902-E904 VanDerWaalsContact C-OE2 3.32Å; G902-E904 WeakPolarHBondContact CA-OE2 3.28Å; E904-L908 PolarHBondContact O-N 3.28Å
905	D	95.7	Very high	96.5	Very high	23 Å²	23	15.2 Å²	15.2	12%	0.123	8%	0.076	C	C	.	.	H	α-helix	trans	-72.6	-42.6	179.7	-56.6	-63.7	0	0	0	110.5	K363 M901 G902 V903 Q909	K363-D905 IonicContact NZ-OD2 3.58Å; K363-D905 PolarHBondContact NZ-OD2 2.59Å; M901-D905 HydrophobicContact CB-CB 3.94Å; M901-D905 HydrophobicContact CG-CB 3.77Å; M901-D905 HydrophobicContact SD-CB 4.14Å; G902-D905 PolarHBondContact N-OD2 3.02Å; V903-D905 VanDerWaalsContact C-N 3.35Å; V903-D905 PolarHBondContact O-N 3.18Å; D905-Q909 PolarHBondContact O-N 3.22Å; D905-Q909 VanDerWaalsContact O-N 3.08Å
906	S	96.9	Very high	96.5	Very high	2 Å²	2	16 Å²	16	1%	0.014	8%	0.083	C	C	.	.	H	α-helix	trans	-71	-34.2	178.1	65	0	0	0	0	113.6	N812 G902 V903 L910	N812-S906 WeakPolarHBondContact CB-OG 3.16Å; N812-S906 PolarHBondContact ND2-OG 2.84Å; G902-S906 WeakPolarHBondContact O-CB 3.36Å; G902-S906 PolarHBondContact O-N 3.15Å; G902-S906 VanDerWaalsContact O-N 3.16Å; G902-S906 PolarHBondContact O-OG 2.98Å; G902-S906 VanDerWaalsContact O-OG 3.04Å; V903-S906 PolarHBondContact O-N 2.88Å; V903-S906 PolarHBondContact O-OG 3.15Å; S906-L910 WeakPolarHBondContact O-CB 3.25Å; S906-L910 VanDerWaalsContact O-CG 3.29Å; S906-L910 WeakPolarHBondContact O-CG 3.12Å; S906-L910 PolarHBondContact O-N 2.93Å; S906-L910 VanDerWaalsContact O-N 3.15Å
907	Q	97.1	Very high	96.5	Very high	8 Å²	8	14.9 Å²	14.9	4%	0.037	8%	0.077	C	C	.	.	H	α-helix	trans	-58.9	-52.5	174.6	-176.8	-72.7	-46.8	0	0	109.6	V320 T321 D808 Y870 V903 L910 Y911	V320-Q907 HydrophobicContact CG2-CB 3.96Å; V320-Q907 HydrophobicContact CG2-CG 3.92Å; T321-Q907 HydrophobicContact CG2-CG 4.19Å; D808-Q907 HydrophobicContact CB-CB 4.46Å; D808-Q907 HydrophobicContact CB-CG 4.37Å; Y870-Q907 HydrophobicContact CE1-CG 4.29Å; Y870-Q907 WeakPolarHBondContact OH-CG 3.22Å; Y870-Q907 PolarHBondContact OH-NE2 3.08Å; V903-Q907 VanDerWaalsContact O-CB 3.28Å; V903-Q907 WeakPolarHBondContact O-CB 3.29Å; V903-Q907 PolarHBondContact O-N 2.97Å; Q907-L910 PolarHBondContact O-N 3.38Å; Q907-Y911 PolarHBondContact O-N 2.94Å
908	L	96.5	Very high	96.2	Very high	2 Å²	2	16.3 Å²	16.3	1%	0.01	8%	0.08	C	C	.	.	H	α-helix	trans	-66.8	-39.6	-178.1	178.4	70.1	0	0	0	113.3	E904 L910 Y911 P912 R913 E947 G949 R1007	E904-L908 PolarHBondContact O-N 3.28Å; L908-L910 VanDerWaalsContact C-N 3.28Å; L908-L910 PolarHBondContact O-N 3.11Å; L908-Y911 CarbonylContact O-C 3.47Å; L908-Y911 VanDerWaalsContact O-C 3.27Å; L908-P912 WeakPolarHBondContact O-CA 3.49Å; L908-R913 HydrophobicContact CD1-CG 3.95Å; L908-E947 WeakPolarHBondContact CD1-OE1 3.48Å; L908-G949 VanDerWaalsContact CD2-N 3.31Å; L908-R1007 VanDerWaalsContact CD2-NE 3.34Å; L908-R1007 VanDerWaalsContact CD2-NH2 3.3Å
909	Q	95.3	Very high	95.6	Very high	18 Å²	18	23 Å²	23	8%	0.084	12%	0.116	C	C	.	.	H	α-helix	trans	-68.4	-31.6	179.5	-159.3	-165.2	57.3	0	0	111.5	D905 H950	D905-Q909 PolarHBondContact O-N 3.22Å; D905-Q909 VanDerWaalsContact O-N 3.08Å; Q909-H950 PolarHBondContact NE2-CE1 3.19Å; Q909-H950 PolarHBondContact NE2-NE2 3.07Å; Q909-H950 VanDerWaalsContact NE2-NE2 3.15Å
910	L	96.8	Very high	95.2	Very high	3 Å²	3	22.6 Å²	22.6	2%	0.016	12%	0.115	C	C	.	.	H	α-helix	trans	-89.2	-27.1	179.5	-64.5	178.7	0	0	0	113.5	I811 A815 Y870 S873 L874 T877 S906 Q907 L908	I811-L910 HydrophobicContact CB-CD1 4.41Å; I811-L910 HydrophobicContact CG1-CD1 3.46Å; I811-L910 VanDerWaalsContact CG1-CD1 3.46Å; I811-L910 HydrophobicContact CG2-CD1 4.13Å; A815-L910 HydrophobicContact CB-CD1 4.46Å; Y870-L910 HydrophobicContact CD1-CB 4.34Å; S873-L910 WeakPolarHBondContact CB-O 3.43Å; S873-L910 PolarHBondContact OG-O 3.04Å; L874-L910 HydrophobicContact CB-CD1 4.47Å; L874-L910 HydrophobicContact CB-CD2 4.28Å; L874-L910 HydrophobicContact CD1-CD2 4.22Å; T877-L910 HydrophobicContact CG2-CD2 3.53Å; S906-L910 WeakPolarHBondContact O-CB 3.25Å; S906-L910 VanDerWaalsContact O-CG 3.29Å; S906-L910 WeakPolarHBondContact O-CG 3.12Å; S906-L910 PolarHBondContact O-N 2.93Å; S906-L910 VanDerWaalsContact O-N 3.15Å; Q907-L910 PolarHBondContact O-N 3.38Å; L908-L910 VanDerWaalsContact C-N 3.28Å; L908-L910 PolarHBondContact O-N 3.11Å
911	Y	97.8	Very high	94.7	Very high	5 Å²	5	26.3 Å²	26.3	2%	0.02	13%	0.132	C	C	.	.	S	Bend	trans	-133.7	93.4	168.1	-160.7	-78.5	0	0	0	109.4	T292 T293 V869 Y870 Q907 L908 R932 C933 V1031 E1032	T292-Y911 HydrophobicContact CG2-CD1 3.89Å; T292-Y911 HydrophobicContact CG2-CD2 4.15Å; T292-Y911 HydrophobicContact CG2-CE1 4.15Å; T292-Y911 HydrophobicContact CG2-CE2 4.39Å; T292-Y911 HydrophobicContact CG2-CG 3.89Å; T292-Y911 WeakPolarHBondContact OG1-CD2 3.44Å; T292-Y911 WeakPolarHBondContact OG1-CE2 3.29Å; T293-Y911 HydrophobicContact CG2-CE1 4.33Å; V869-Y911 HydrophobicContact CG2-CD2 4.21Å; V869-Y911 HydrophobicContact CG2-CE2 4Å; Y870-Y911 VanDerWaalsContact CE1-CB 3.5Å; Y870-Y911 HydrophobicContact CE1-CG 4.46Å; Q907-Y911 PolarHBondContact O-N 2.94Å; L908-Y911 CarbonylContact O-C 3.47Å; L908-Y911 VanDerWaalsContact O-C 3.27Å; Y911-R932 WeakPolarHBondContact OH-CA 3.39Å; Y911-C933 HydrophobicContact CE1-CB 4.4Å; Y911-C933 PolarHBondContact OH-N 3.11Å; Y911-V1031 HydrophobicContact CD2-CG2 3.6Å; Y911-V1031 HydrophobicContact CE2-CG2 3.92Å; Y911-V1031 HydrophobicContact CG-CG2 4.14Å; Y911-E1032 HydrophobicContact CE2-CG 4.05Å; Y911-E1032 PolarHBondContact OH-OE1 3.04Å
912	P	97.2	Very high	94.1	Very high	2 Å²	2	27.5 Å²	27.5	1%	0.013	14%	0.144	C	C	.	.			trans	-55.4	162.4	177.5	-27.7	37	0	0	0	112.9	L908 C933 L946 E947 N948 L1029 V1031	L908-P912 WeakPolarHBondContact O-CA 3.49Å; P912-C933 PolarHBondContact O-SG 3.06Å; P912-L946 HydrophobicContact CB-CD2 3.84Å; P912-L946 HydrophobicContact CB-CG 4.14Å; P912-E947 WeakPolarHBondContact CA-O 3.28Å; P912-E947 WeakPolarHBondContact CB-O 3.37Å; P912-N948 HydrophobicContact CB-CB 4.18Å; P912-N948 HydrophobicContact CG-CB 4Å; P912-L1029 HydrophobicContact CG-CB 4.21Å; P912-L1029 HydrophobicContact CG-CD2 4.47Å; P912-V1031 HydrophobicContact CG-CG1 4.42Å
913	R	96.2	Very high	93.3	Very high	70 Å²	70	32.8 Å²	32.8	26%	0.264	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	112.2	172.1	-64.1	-166.2	-60.9	168.8	3.5	109.9	L908 L946 E947 R1007	L908-R913 HydrophobicContact CD1-CG 3.95Å; R913-L946 WeakPolarHBondContact O-CA 3.42Å; R913-E947 HydrophobicContact CB-CG 4.43Å; R913-E947 IonicContact CZ-OE1 3.04Å; R913-E947 PolarHBondContact N-O 2.92Å; R913-E947 IonicContact NE-OE1 3.32Å; R913-E947 PolarHBondContact NE-OE1 3.27Å; R913-E947 IonicContact NH2-OE1 3Å; R913-E947 PolarHBondContact NH2-OE1 2.88Å; R913-E947 PolarHBondContact O-N 3.08Å; R913-E947 VanDerWaalsContact O-N 3.1Å; R913-R1007 VanDerWaalsContact NH2-NH2 3.14Å
914	L	97.6	Very high	92.3	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	111	173.4	178.1	62.5	0	0	0	109.2	P930 V931 L938 F944 L945 L946 F1026 L1030	L914-P930 CarbonylContact O-C 3.5Å; L914-P930 VanDerWaalsContact O-CA 3.27Å; L914-P930 WeakPolarHBondContact O-CA 3.39Å; L914-V931 HydrophobicContact CB-CG2 4.33Å; L914-V931 HydrophobicContact CD2-CG2 3.89Å; L914-V931 HydrophobicContact CG-CG2 3.79Å; L914-V931 PolarHBondContact O-N 3.31Å; L914-L938 HydrophobicContact CD2-CD2 4.24Å; L914-F944 HydrophobicContact CD1-CB 3.81Å; L914-F944 HydrophobicContact CD1-CD1 4.09Å; L914-F944 HydrophobicContact CD1-CG 4.3Å; L914-F944 HydrophobicContact CG-CD1 4.29Å; L914-L945 CarbonylContact C-O 3.58Å; L914-L945 WeakPolarHBondContact CA-O 3.41Å; L914-L946 HydrophobicContact CD1-CB 4.04Å; L914-L946 HydrophobicContact CD1-CD1 4.3Å; L914-F1026 HydrophobicContact CD1-CE2 4.36Å; L914-F1026 HydrophobicContact CD1-CZ 4.29Å; L914-L1030 HydrophobicContact CD2-CD2 4.06Å
915	I	96.6	Very high	91.3	Very high	3 Å²	3	40.1 Å²	40.1	2%	0.015	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	122.4	-172.9	-60.5	166.6	0	0	0	108.8	L917 V927 P928 P930 F944 L945	I915-L917 HydrophobicContact CG2-CD2 3.97Å; I915-V927 HydrophobicContact CD1-CG1 4.07Å; I915-V927 HydrophobicContact CG2-CG1 4.17Å; I915-P928 HydrophobicContact CG2-CB 4.02Å; I915-P928 HydrophobicContact CG2-CG 4.35Å; I915-P930 HydrophobicContact CG1-CG 4.38Å; I915-F944 WeakPolarHBondContact O-CA 3.46Å; I915-L945 HydrophobicContact CB-CB 4.42Å; I915-L945 PolarHBondContact N-O 2.85Å; I915-L945 PolarHBondContact O-N 2.9Å
916	P	96	Very high	90.5	Very high	26 Å²	26	42.8 Å²	42.8	17%	0.169	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	133.5	171.8	30.8	-32.7	0	0	0	110	P928 A929 V931 F944	P916-P928 HydrophobicContact CG-CB 4.3Å; P916-P928 VanDerWaalsContact O-CB 3.3Å; P916-P928 WeakPolarHBondContact O-CB 3.41Å; P916-P928 WeakPolarHBondContact O-CG 3.34Å; P916-A929 WeakPolarHBondContact CD-O 3.24Å; P916-V931 HydrophobicContact CG-CG1 4.16Å; P916-F944 HydrophobicContact CB-CD1 4.15Å; P916-F944 HydrophobicContact CB-CE1 3.99Å
917	L	94.5	Very high	90	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	26%	0.264	C	S	.	.			trans	-123.4	-0.2	-179.5	-66.7	-176.9	0	0	0	113.9	I915 V920 P928 L943 L945 L954 V996 I999	I915-L917 HydrophobicContact CG2-CD2 3.97Å; L917-V920 VanDerWaalsContact O-CG1 3.24Å; L917-V920 WeakPolarHBondContact O-CG1 3.34Å; L917-P928 HydrophobicContact CD2-CG 4.39Å; L917-L943 HydrophobicContact CB-CB 4.39Å; L917-L943 HydrophobicContact CB-CD2 3.64Å; L917-L943 HydrophobicContact CB-CG 3.84Å; L917-L943 HydrophobicContact CD1-CD2 4.5Å; L917-L943 PolarHBondContact N-O 3.26Å; L917-L945 HydrophobicContact CD1-CB 3.65Å; L917-L945 HydrophobicContact CD1-CD2 4.26Å; L917-L945 HydrophobicContact CD1-CG 4.42Å; L917-L945 HydrophobicContact CG-CB 4.15Å; L917-L954 HydrophobicContact CD1-CD1 3.96Å; L917-V996 HydrophobicContact CD1-CG1 4Å; L917-V996 HydrophobicContact CD1-CG2 4.16Å; L917-I999 HydrophobicContact CD2-CD1 3.79Å
918	H	88.4	Confident	89.7	Confident	58 Å²	58	46.5 Å²	46.5	27%	0.269	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-38.8	-179.9	38.8	-78	0	0	0	112.1	L943 F944	H918-L943 HydrophobicContact CB-CB 4.1Å; H918-L943 PolarHBondContact N-O 3.42Å; H918-L943 PolarHBondContact ND1-N 3.49Å; H918-L943 PolarHBondContact ND1-O 2.87Å; H918-F944 AromaticContact CE1-CE1 3.76Å; H918-F944 AromaticContact CE1-CE2 3.81Å; H918-F944 AromaticContact CE1-CZ 3.42Å; H918-F944 VanDerWaalsContact CE1-CZ 3.42Å; H918-F944 WeakPolarHBondContact CE1-CZ 3.17Å
919	D	84.5	Confident	89.4	Confident	146 Å²	146	49.3 Å²	49.3	78%	0.781	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.3	29.2	177.9	-55.2	-34.3	0	0	0	112.2	D921	D919-D921 PolarHBondContact O-N 3.43Å
920	V	87.6	Confident	89.4	Confident	16 Å²	16	49.5 Å²	49.5	10%	0.097	30%	0.298	C	S	.	.			trans	-71.8	128.1	-178.6	69.6	0	0	0	0	111.2	L917 A922 P928 L992 K995 I999	L917-V920 VanDerWaalsContact O-CG1 3.24Å; L917-V920 WeakPolarHBondContact O-CG1 3.34Å; V920-A922 PolarHBondContact O-N 2.93Å; V920-P928 HydrophobicContact CB-CG 4.18Å; V920-P928 HydrophobicContact CG2-CG 3.75Å; V920-L992 HydrophobicContact CG1-CD1 3.45Å; V920-L992 VanDerWaalsContact CG1-CD1 3.45Å; V920-K995 HydrophobicContact CG1-CG 4.43Å; V920-K995 HydrophobicContact CG2-CD 4.44Å; V920-K995 HydrophobicContact CG2-CG 3.88Å; V920-I999 HydrophobicContact CG2-CD1 4.45Å
921	D	86.4	Confident	89.4	Confident	93 Å²	93	51.4 Å²	51.4	50%	0.497	31%	0.309	S	S	.	.			trans	-63.6	110	166.6	177.1	7.1	0	0	0	109.2	D919 S923 G924 K995	D919-D921 PolarHBondContact O-N 3.43Å; D921-S923 PolarHBondContact O-N 3.3Å; D921-S923 WeakPolarHBondContact OD1-CA 3.23Å; D921-S923 WeakPolarHBondContact OD1-CB 3.48Å; D921-S923 PolarHBondContact OD1-N 3.27Å; D921-S923 PolarHBondContact OD1-OG 3.16Å; D921-G924 PolarHBondContact OD1-N 3.4Å; D921-G924 VanDerWaalsContact OD1-N 3.12Å; D921-G924 WeakPolarHBondContact OD2-CA 3.29Å; D921-G924 PolarHBondContact OD2-N 3.08Å; D921-G924 VanDerWaalsContact OD2-N 3.08Å; D921-K995 VanDerWaalsContact O-CE 3.31Å; D921-K995 WeakPolarHBondContact O-CE 3.49Å
922	A	82.8	Confident	89.3	Confident	39 Å²	39	51.9 Å²	51.9	32%	0.322	31%	0.311	S	S	.	.	S	Bend	trans	-78.9	-1.6	179.9	0	0	0	0	0	113.6	V920 P991	V920-A922 PolarHBondContact O-N 2.93Å; A922-P991 HydrophobicContact CB-CB 3.72Å
923	S	80.7	Confident	89.3	Confident	111 Å²	111	51.8 Å²	51.8	78%	0.776	31%	0.31	S	S	*	.	S	Bend	trans	-108.7	-32.4	177.1	71.1	0	0	0	0	113.7	D921	D921-S923 PolarHBondContact O-N 3.3Å; D921-S923 WeakPolarHBondContact OD1-CA 3.23Å; D921-S923 WeakPolarHBondContact OD1-CB 3.48Å; D921-S923 PolarHBondContact OD1-N 3.27Å; D921-S923 PolarHBondContact OD1-OG 3.16Å
924	G	78.4	Confident	89.3	Confident	26 Å²	26	48.8 Å²	48.8	27%	0.268	30%	0.3	S	S	.	.	S	Bend	trans	-76.9	158	177.1	0	0	0	0	0	113.9	D921 K995	D921-G924 PolarHBondContact OD1-N 3.4Å; D921-G924 VanDerWaalsContact OD1-N 3.12Å; D921-G924 WeakPolarHBondContact OD2-CA 3.29Å; D921-G924 PolarHBondContact OD2-N 3.08Å; D921-G924 VanDerWaalsContact OD2-N 3.08Å; G924-K995 WeakPolarHBondContact O-CE 3.36Å; G924-K995 PolarHBondContact O-NZ 3.33Å
925	E	74.6	Confident	89.2	Confident	191 Å²	191	53.3 Å²	53.3	89%	0.893	32%	0.321	S	S	*	.			trans	-82.3	-33.3	-179.5	-64.5	-173.9	154.4	0	0	113.2	K995	E925-K995 PolarHBondContact O-NZ 2.59Å
926	A	79.3	Confident	89.1	Confident	80 Å²	80	58.6 Å²	58.6	66%	0.661	35%	0.346	S	S	*	.	P	Polyproline II helix	trans	-58.5	145.3	-172.8	0	0	0	0	0	114.7	K995	A926-K995 PolarHBondContact O-NZ 3.02Å
927	V	84.9	Confident	89.1	Confident	57 Å²	57	61 Å²	61	35%	0.345	35%	0.352	S	S	.	.	P	Polyproline II helix	trans	-84	136.5	169.7	-172.5	0	0	0	0	108.9	I915 I999	I915-V927 HydrophobicContact CD1-CG1 4.07Å; I915-V927 HydrophobicContact CG2-CG1 4.17Å; V927-I999 HydrophobicContact CG1-CG2 4.16Å; V927-I999 HydrophobicContact CG2-CG1 4.34Å
928	P	90.7	Very high	89.1	Confident	31 Å²	31	62.7 Å²	62.7	20%	0.201	36%	0.361	C	S	.	.	P	Polyproline II helix	trans	-57.2	146	176	-27	36.7	0	0	0	113.2	I915 P916 L917 V920	I915-P928 HydrophobicContact CG2-CB 4.02Å; I915-P928 HydrophobicContact CG2-CG 4.35Å; P916-P928 HydrophobicContact CG-CB 4.3Å; P916-P928 VanDerWaalsContact O-CB 3.3Å; P916-P928 WeakPolarHBondContact O-CB 3.41Å; P916-P928 WeakPolarHBondContact O-CG 3.34Å; L917-P928 HydrophobicContact CD2-CG 4.39Å; V920-P928 HydrophobicContact CB-CG 4.18Å; V920-P928 HydrophobicContact CG2-CG 3.75Å
929	A	91.5	Very high	89.5	Confident	61 Å²	61	62.2 Å²	62.2	50%	0.504	36%	0.363	S	S	.	.	P	Polyproline II helix	trans	-62.5	133.4	179.4	0	0	0	0	0	111.1	P916	P916-A929 WeakPolarHBondContact CD-O 3.24Å
930	P	94.6	Very high	89.9	Confident	22 Å²	22	58.6 Å²	58.6	14%	0.143	34%	0.344	C	S	.	.	P	Polyproline II helix	trans	-63.2	140.9	177.9	-23	34	0	0	0	112.9	T293 L914 I915	T293-P930 WeakPolarHBondContact CB-O 3.24Å; T293-P930 HydrophobicContact CG2-CB 4.32Å; T293-P930 WeakPolarHBondContact CG2-O 3.25Å; L914-P930 CarbonylContact O-C 3.5Å; L914-P930 VanDerWaalsContact O-CA 3.27Å; L914-P930 WeakPolarHBondContact O-CA 3.39Å; I915-P930 HydrophobicContact CG1-CG 4.38Å
931	V	96.2	Very high	90.3	Very high	42 Å²	42	60.6 Å²	60.6	26%	0.255	36%	0.359	S	S	.	.	B	Isolated β-bridge	trans	-97.7	164.4	171	-62.6	0	0	0	0	110.8	L914 P916 R937 F944	L914-V931 HydrophobicContact CB-CG2 4.33Å; L914-V931 HydrophobicContact CD2-CG2 3.89Å; L914-V931 HydrophobicContact CG-CG2 3.79Å; L914-V931 PolarHBondContact O-N 3.31Å; P916-V931 HydrophobicContact CG-CG1 4.16Å; V931-R937 HydrophobicContact CB-CB 4.42Å; V931-R937 HydrophobicContact CG2-CB 4.16Å; V931-F944 HydrophobicContact CG2-CE1 4.27Å
932	R	96.8	Very high	90.6	Very high	15 Å²	15	56.1 Å²	56.1	6%	0.057	34%	0.335	C	S	.	.	P	Polyproline II helix	trans	-62.6	141.7	-178.6	-71.5	170	74	174.8	-1.3	112	P286 D287 S291 Y911 S934 R937 E1032	P286-R932 PolarHBondContact O-NH1 3.11Å; P286-R932 PolarHBondContact O-NH2 2.84Å; D287-R932 IonicContact OD1-NH1 3.41Å; S291-R932 WeakPolarHBondContact OG-CD 3.2Å; S291-R932 WeakPolarHBondContact OG-CG 3.41Å; Y911-R932 WeakPolarHBondContact OH-CA 3.39Å; R932-S934 PolarHBondContact O-N 3.26Å; R932-R937 HydrophobicContact CB-CG 4.19Å; R932-E1032 WeakPolarHBondContact CB-OE1 3.4Å; R932-E1032 IonicContact CZ-OE2 2.73Å; R932-E1032 VanDerWaalsContact CZ-OE2 3.28Å; R932-E1032 IonicContact NE-OE1 2.68Å; R932-E1032 PolarHBondContact NE-OE1 3.36Å; R932-E1032 IonicContact NE-OE2 3.07Å; R932-E1032 PolarHBondContact NE-OE2 3.38Å; R932-E1032 IonicContact NH2-OE2 3.65Å; R932-E1032 PolarHBondContact NH2-OE2 3.12Å
933	C	97.1	Very high	91.3	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	32%	0.32	C	S	.	.	S	Bend	trans	-75	71.5	178.5	-69.3	0	0	0	0	112.3	Y911 P912 L1030 V1031 E1032	Y911-C933 HydrophobicContact CE1-CB 4.4Å; Y911-C933 PolarHBondContact OH-N 3.11Å; P912-C933 PolarHBondContact O-SG 3.06Å; C933-L1030 CarbonylContact O-C 3.41Å; C933-L1030 WeakPolarHBondContact O-CA 3.32Å; C933-V1031 HydrophobicContact CB-CG2 3.79Å; C933-V1031 PolarHBondContact O-N 3.21Å; C933-E1032 WeakPolarHBondContact O-CB 3.4Å; C933-E1032 PolarHBondContact O-N 3.37Å
934	S	96.4	Very high	92	Very high	7 Å²	7	49.2 Å²	49.2	5%	0.049	28%	0.284	C	S	.	.	S	Bend	trans	-143.9	146.3	176.3	175.1	0	0	0	0	110.8	R932 E936 R937 D1033	R932-S934 PolarHBondContact O-N 3.26Å; S934-E936 PolarHBondContact O-N 2.68Å; S934-E936 PolarHBondContact OG-N 2.94Å; S934-R937 PolarHBondContact O-N 3.45Å; S934-D1033 WeakPolarHBondContact CA-OD1 3.27Å; S934-D1033 VanDerWaalsContact CA-OD2 3.29Å; S934-D1033 WeakPolarHBondContact CA-OD2 3.43Å; S934-D1033 VanDerWaalsContact CB-OD1 3.25Å; S934-D1033 WeakPolarHBondContact CB-OD1 3.48Å; S934-D1033 PolarHBondContact OG-OD1 3.47Å
935	E	95.4	Very high	92.9	Very high	95 Å²	95	48 Å²	48	44%	0.444	27%	0.271	S	S	.	.	G	3₁₀ helix	trans	-63.5	-19.8	172.3	67	-178.6	-161.5	0	0	113	R937 L938 R1027 L1030 D1033	E935-R937 PolarHBondContact O-N 3.45Å; E935-R937 VanDerWaalsContact O-N 3.09Å; E935-L938 HydrophobicContact CB-CD1 4.28Å; E935-L938 PolarHBondContact O-N 3.44Å; E935-L938 VanDerWaalsContact O-N 3.13Å; E935-R1027 IonicContact OE2-CZ 3.98Å; E935-R1027 IonicContact OE2-NH1 3.06Å; E935-R1027 PolarHBondContact OE2-NH1 3.27Å; E935-L1030 HydrophobicContact CB-CD1 3.94Å; E935-D1033 PolarHBondContact N-OD2 2.74Å
936	E	94.4	Very high	94	Very high	115 Å²	115	39 Å²	39	54%	0.537	23%	0.229	S	C	.	.	G	3₁₀ helix	trans	-64.2	-7.4	170	-65.1	-169.9	157.9	0	0	113.3	K283 S934	K283-E936 IonicContact NZ-OE1 2.74Å; S934-E936 PolarHBondContact O-N 2.68Å; S934-E936 PolarHBondContact OG-N 2.94Å
937	R	95	Very high	94.8	Very high	77 Å²	77	35.1 Å²	35.1	29%	0.291	20%	0.197	S	C	.	.	G	3₁₀ helix	trans	-105.3	0.6	174.6	-56.2	-61.4	161.3	158.4	-3.1	114.5	D287 V931 R932 S934 E935 F944	D287-R937 IonicContact OD1-CZ 2.75Å; D287-R937 IonicContact OD1-NH1 3.81Å; D287-R937 PolarHBondContact OD1-NH1 2.91Å; D287-R937 IonicContact OD1-NH2 3.39Å; D287-R937 PolarHBondContact OD1-NH2 3.46Å; D287-R937 IonicContact OD2-NH1 2.67Å; D287-R937 IonicContact OD2-NH2 3.15Å; V931-R937 HydrophobicContact CB-CB 4.42Å; V931-R937 HydrophobicContact CG2-CB 4.16Å; R932-R937 HydrophobicContact CB-CG 4.19Å; S934-R937 PolarHBondContact O-N 3.45Å; E935-R937 PolarHBondContact O-N 3.45Å; E935-R937 VanDerWaalsContact O-N 3.09Å; R937-F944 WeakPolarHBondContact O-CE1 3.44Å; R937-F944 WeakPolarHBondContact O-CZ 3.3Å
938	L	95.8	Very high	95.2	Very high	35 Å²	35	33.2 Å²	33.2	18%	0.183	19%	0.185	C	C	.	.			trans	-92.3	145.1	178.8	-58.1	174.5	0	0	0	110.8	L914 E935 F944 W955 F1026 L1030	L914-L938 HydrophobicContact CD2-CD2 4.24Å; E935-L938 HydrophobicContact CB-CD1 4.28Å; E935-L938 PolarHBondContact O-N 3.44Å; E935-L938 VanDerWaalsContact O-N 3.13Å; L938-F944 HydrophobicContact CB-CE2 4.5Å; L938-F944 HydrophobicContact CD2-CB 4.44Å; L938-F944 HydrophobicContact CD2-CD1 4.12Å; L938-F944 HydrophobicContact CD2-CD2 3.74Å; L938-F944 HydrophobicContact CD2-CE1 4.25Å; L938-F944 HydrophobicContact CD2-CE2 3.9Å; L938-F944 HydrophobicContact CD2-CG 3.86Å; L938-F944 HydrophobicContact CD2-CZ 4.14Å; L938-W955 HydrophobicContact CB-CH2 4.04Å; L938-W955 HydrophobicContact CB-CZ2 4.31Å; L938-W955 HydrophobicContact CD1-CZ2 4.13Å; L938-F1026 HydrophobicContact CD1-CE1 3.75Å; L938-F1026 HydrophobicContact CD1-CZ 4.23Å; L938-F1026 HydrophobicContact CD2-CZ 4.17Å; L938-L1030 HydrophobicContact CD1-CD1 4.03Å
939	S	95.3	Very high	95.3	Very high	47 Å²	47	32.2 Å²	32.2	33%	0.329	18%	0.181	S	C	.	.			trans	-116.1	139	172.2	176.9	0	0	0	0	109.8	S941 G942 W955	S939-S941 PolarHBondContact O-N 3.23Å; S939-S941 VanDerWaalsContact O-N 3.11Å; S939-S941 PolarHBondContact OG-N 3.2Å; S939-S941 PolarHBondContact OG-OG 2.85Å; S939-G942 PolarHBondContact O-N 3.41Å; S939-W955 VanDerWaalsContact O-CH2 3.27Å; S939-W955 WeakPolarHBondContact O-CH2 3.23Å; S939-W955 VanDerWaalsContact O-CZ3 3.3Å; S939-W955 WeakPolarHBondContact O-CZ3 3.42Å
940	D	94.8	Very high	95.1	Very high	70 Å²	70	31.9 Å²	31.9	37%	0.374	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58	-22.2	172.3	-80.9	32.9	0	0	0	112.1	G957 Q958 A959 S960 Q1018 R1019	D940-G957 CarbonylContact O-C 3.55Å; D940-G957 WeakPolarHBondContact O-CA 3.41Å; D940-Q958 PolarHBondContact O-N 3.04Å; D940-Q958 VanDerWaalsContact O-N 3.15Å; D940-A959 HydrophobicContact CB-CB 4.48Å; D940-A959 CarbonylContact O-C 3.05Å; D940-A959 VanDerWaalsContact O-CA 3.31Å; D940-A959 WeakPolarHBondContact O-CA 3.35Å; D940-A959 WeakPolarHBondContact O-CB 3.33Å; D940-A959 PolarHBondContact O-N 2.85Å; D940-S960 PolarHBondContact O-N 2.96Å; D940-Q1018 PolarHBondContact OD1-NE2 3.22Å; D940-Q1018 PolarHBondContact OD1-OE1 3.3Å; D940-R1019 IonicContact OD2-NH2 3.66Å; D940-R1019 PolarHBondContact OD2-NH2 3.03Å; D940-R1019 VanDerWaalsContact OD2-NH2 3.07Å
941	S	94.7	Very high	95	Very high	58 Å²	58	31.5 Å²	31.5	41%	0.406	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.4	-3.7	172.8	63.1	0	0	0	0	114.9	S939 P961	S939-S941 PolarHBondContact O-N 3.23Å; S939-S941 VanDerWaalsContact O-N 3.11Å; S939-S941 PolarHBondContact OG-N 3.2Å; S939-S941 PolarHBondContact OG-OG 2.85Å; S941-P961 VanDerWaalsContact O-CD 3.3Å; S941-P961 WeakPolarHBondContact O-CD 3.49Å
942	G	94	Very high	94.9	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	16%	0.155	C	C	.	.			trans	-88.2	157.3	-166.4	0	0	0	0	0	115.3	S939 W955 G957	S939-G942 PolarHBondContact O-N 3.41Å; G942-W955 WeakPolarHBondContact O-CZ3 3.41Å; G942-G957 PolarHBondContact O-N 3.28Å
943	L	95.8	Very high	94.9	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	130.5	166.7	-179.7	68.9	0	0	0	108.7	L917 H918 L954 L956 L964 L968	L917-L943 HydrophobicContact CB-CB 4.39Å; L917-L943 HydrophobicContact CB-CD2 3.64Å; L917-L943 HydrophobicContact CB-CG 3.84Å; L917-L943 HydrophobicContact CD1-CD2 4.5Å; L917-L943 PolarHBondContact N-O 3.26Å; H918-L943 HydrophobicContact CB-CB 4.1Å; H918-L943 PolarHBondContact N-O 3.42Å; H918-L943 PolarHBondContact ND1-N 3.49Å; H918-L943 PolarHBondContact ND1-O 2.87Å; L943-L954 HydrophobicContact CD1-CD1 3.7Å; L943-L954 HydrophobicContact CD1-CD2 4.46Å; L943-L954 HydrophobicContact CD1-CG 4.01Å; L943-L954 HydrophobicContact CG-CD1 4.18Å; L943-L956 HydrophobicContact CD1-CD2 3.29Å; L943-L964 HydrophobicContact CB-CD1 4.11Å; L943-L964 HydrophobicContact CB-CD2 4.35Å; L943-L964 HydrophobicContact CD1-CD2 4.43Å; L943-L964 HydrophobicContact CD2-CD1 4.06Å; L943-L964 HydrophobicContact CD2-CD2 4.19Å; L943-L964 HydrophobicContact CD2-CG 4.39Å; L943-L968 HydrophobicContact CD1-CD1 4.35Å; L943-L968 HydrophobicContact CD2-CD1 3.48Å; L943-L968 VanDerWaalsContact CD2-CD1 3.48Å
944	F	97.1	Very high	94.9	Very high	5 Å²	5	29.2 Å²	29.2	2%	0.022	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	145.1	-179.2	-65.4	-96.1	0	0	0	112.2	L914 I915 P916 H918 V931 R937 L938 L954 W955	L914-F944 HydrophobicContact CD1-CB 3.81Å; L914-F944 HydrophobicContact CD1-CD1 4.09Å; L914-F944 HydrophobicContact CD1-CG 4.3Å; L914-F944 HydrophobicContact CG-CD1 4.29Å; I915-F944 WeakPolarHBondContact O-CA 3.46Å; P916-F944 HydrophobicContact CB-CD1 4.15Å; P916-F944 HydrophobicContact CB-CE1 3.99Å; H918-F944 AromaticContact CE1-CE1 3.76Å; H918-F944 AromaticContact CE1-CE2 3.81Å; H918-F944 AromaticContact CE1-CZ 3.42Å; H918-F944 VanDerWaalsContact CE1-CZ 3.42Å; H918-F944 WeakPolarHBondContact CE1-CZ 3.17Å; V931-F944 HydrophobicContact CG2-CE1 4.27Å; R937-F944 WeakPolarHBondContact O-CE1 3.44Å; R937-F944 WeakPolarHBondContact O-CZ 3.3Å; L938-F944 HydrophobicContact CB-CE2 4.5Å; L938-F944 HydrophobicContact CD2-CB 4.44Å; L938-F944 HydrophobicContact CD2-CD1 4.12Å; L938-F944 HydrophobicContact CD2-CD2 3.74Å; L938-F944 HydrophobicContact CD2-CE1 4.25Å; L938-F944 HydrophobicContact CD2-CE2 3.9Å; L938-F944 HydrophobicContact CD2-CG 3.86Å; L938-F944 HydrophobicContact CD2-CZ 4.14Å; F944-L954 CarbonylContact O-C 3.58Å; F944-W955 AromaticContact CD2-CE3 3.7Å; F944-W955 HydrophobicContact CD2-CE3 3.7Å; F944-W955 AromaticContact CD2-CZ3 3.8Å; F944-W955 HydrophobicContact CD2-CZ3 3.8Å; F944-W955 HydrophobicContact CE2-CE3 4.42Å; F944-W955 HydrophobicContact CE2-CZ3 4.06Å; F944-W955 PolarHBondContact N-O 2.83Å; F944-W955 VanDerWaalsContact N-O 3.09Å; F944-W955 PolarHBondContact O-N 3.4Å
945	L	97.1	Very high	94.9	Very high	1 Å²	1	28.9 Å²	28.9	1%	0.005	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	124.1	175.6	-172.2	74.3	0	0	0	109.5	L914 I915 L917 I952 F953 L954 I999 I1000 L1003	L914-L945 CarbonylContact C-O 3.58Å; L914-L945 WeakPolarHBondContact CA-O 3.41Å; I915-L945 HydrophobicContact CB-CB 4.42Å; I915-L945 PolarHBondContact N-O 2.85Å; I915-L945 PolarHBondContact O-N 2.9Å; L917-L945 HydrophobicContact CD1-CB 3.65Å; L917-L945 HydrophobicContact CD1-CD2 4.26Å; L917-L945 HydrophobicContact CD1-CG 4.42Å; L917-L945 HydrophobicContact CG-CB 4.15Å; L945-I952 HydrophobicContact CD1-CD1 3.92Å; L945-I952 HydrophobicContact CD1-CG1 3.76Å; L945-I952 HydrophobicContact CD2-CD1 4.16Å; L945-I952 HydrophobicContact CG-CD1 4.14Å; L945-I952 HydrophobicContact CG-CG1 4.17Å; L945-F953 CarbonylContact C-O 3.54Å; L945-F953 VanDerWaalsContact CA-O 3.3Å; L945-F953 WeakPolarHBondContact CA-O 3.46Å; L945-L954 HydrophobicContact CB-CD1 4.46Å; L945-L954 HydrophobicContact CD1-CB 4.32Å; L945-L954 HydrophobicContact CD1-CD1 4.02Å; L945-I999 HydrophobicContact CD2-CG2 3.84Å; L945-I1000 HydrophobicContact CD1-CD1 4Å; L945-I1000 HydrophobicContact CD1-CG1 3.9Å; L945-I1000 HydrophobicContact CD2-CG1 4Å; L945-L1003 HydrophobicContact CD2-CD1 3.72Å
946	L	97.6	Very high	94.9	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	123.8	177.5	-173.9	159	0	0	0	110.4	P912 R913 L914 I952 F953 F1026 L1029 L1030	P912-L946 HydrophobicContact CB-CD2 3.84Å; P912-L946 HydrophobicContact CB-CG 4.14Å; R913-L946 WeakPolarHBondContact O-CA 3.42Å; L914-L946 HydrophobicContact CD1-CB 4.04Å; L914-L946 HydrophobicContact CD1-CD1 4.3Å; L946-I952 CarbonylContact O-C 3.55Å; L946-I952 WeakPolarHBondContact O-CA 3.26Å; L946-F953 HydrophobicContact CB-CB 4.41Å; L946-F953 HydrophobicContact CD2-CD2 4.21Å; L946-F953 PolarHBondContact N-O 3.12Å; L946-F953 PolarHBondContact O-N 2.93Å; L946-F1026 HydrophobicContact CB-CD2 4.2Å; L946-F1026 HydrophobicContact CB-CE2 3.76Å; L946-F1026 HydrophobicContact CD1-CD2 4.1Å; L946-F1026 HydrophobicContact CD1-CE2 3.79Å; L946-F1026 HydrophobicContact CD1-CZ 4.48Å; L946-F1026 HydrophobicContact CG-CE2 4.4Å; L946-L1029 HydrophobicContact CD1-CB 3.98Å; L946-L1029 HydrophobicContact CD2-CB 3.8Å; L946-L1029 HydrophobicContact CD2-CD1 3.58Å; L946-L1029 HydrophobicContact CD2-CG 4.33Å; L946-L1030 HydrophobicContact CD1-CD2 4.09Å
947	E	95.6	Very high	95	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	144.1	171.7	60.9	116.5	-156.5	0	0	113.3	L908 P912 R913 I952 L1003 R1007 M1011	L908-E947 WeakPolarHBondContact CD1-OE1 3.48Å; P912-E947 WeakPolarHBondContact CA-O 3.28Å; P912-E947 WeakPolarHBondContact CB-O 3.37Å; R913-E947 HydrophobicContact CB-CG 4.43Å; R913-E947 IonicContact CZ-OE1 3.04Å; R913-E947 PolarHBondContact N-O 2.92Å; R913-E947 IonicContact NE-OE1 3.32Å; R913-E947 PolarHBondContact NE-OE1 3.27Å; R913-E947 IonicContact NH2-OE1 3Å; R913-E947 PolarHBondContact NH2-OE1 2.88Å; R913-E947 PolarHBondContact O-N 3.08Å; R913-E947 VanDerWaalsContact O-N 3.1Å; E947-I952 HydrophobicContact CB-CB 4.27Å; E947-I952 HydrophobicContact CB-CD1 4.24Å; E947-I952 HydrophobicContact CB-CG1 4.08Å; E947-L1003 HydrophobicContact CG-CD1 4.3Å; E947-L1003 HydrophobicContact CG-CD2 4.32Å; E947-R1007 IonicContact OE1-CZ 3.81Å; E947-R1007 IonicContact OE1-NE 2.61Å; E947-R1007 IonicContact OE1-NH2 3.21Å; E947-R1007 PolarHBondContact OE1-NH2 3.21Å; E947-R1007 IonicContact OE2-CZ 3.94Å; E947-R1007 IonicContact OE2-NE 2.64Å; E947-R1007 PolarHBondContact OE2-NE 3.3Å; E947-R1007 IonicContact OE2-NH2 2.77Å; E947-R1007 PolarHBondContact OE2-NH2 2.99Å; E947-M1011 HydrophobicContact CB-CE 4.17Å; E947-M1011 HydrophobicContact CB-SD 4Å
948	N	94	Very high	95	Very high	17 Å²	17	19.7 Å²	19.7	9%	0.091	11%	0.112	C	C	.	.			trans	-130.2	18.2	178.7	74.6	-5.1	0	0	0	113.3	P912 H950 A951 L1029	P912-N948 HydrophobicContact CB-CB 4.18Å; P912-N948 HydrophobicContact CG-CB 4Å; N948-H950 PolarHBondContact O-N 3.44Å; N948-H950 PolarHBondContact O-ND1 2.8Å; N948-H950 WeakPolarHBondContact OD1-CB 3.24Å; N948-H950 PolarHBondContact OD1-N 2.85Å; N948-A951 PolarHBondContact N-O 2.92Å; N948-A951 PolarHBondContact OD1-N 2.78Å; N948-A951 PolarHBondContact OD1-O 3Å; N948-L1029 WeakPolarHBondContact ND2-CD2 3.42Å
949	G	91.5	Very high	94.9	Very high	10 Å²	10	21 Å²	21	10%	0.103	13%	0.128	C	C	.	.	S	Bend	trans	77.9	-5.6	-177.3	0	0	0	0	0	115.8	L908 M1011	L908-G949 VanDerWaalsContact CD2-N 3.31Å; G949-M1011 VanDerWaalsContact CA-SD 3.51Å
950	H	88.8	Confident	94.9	Very high	53 Å²	53	19.2 Å²	19.2	25%	0.245	12%	0.116	C	C	.	.	S	Bend	trans	-125.6	-37.6	-177.3	-57.2	69.3	0	0	0	111.7	M901 Q909 N948 M1011	M901-H950 VanDerWaalsContact CE-CE1 3.45Å; M901-H950 WeakPolarHBondContact CE-CE1 3.47Å; M901-H950 VanDerWaalsContact CE-NE2 3.31Å; M901-H950 WeakPolarHBondContact CE-NE2 3.34Å; Q909-H950 PolarHBondContact NE2-CE1 3.19Å; Q909-H950 PolarHBondContact NE2-NE2 3.07Å; Q909-H950 VanDerWaalsContact NE2-NE2 3.15Å; N948-H950 PolarHBondContact O-N 3.44Å; N948-H950 PolarHBondContact O-ND1 2.8Å; N948-H950 WeakPolarHBondContact OD1-CB 3.24Å; N948-H950 PolarHBondContact OD1-N 2.85Å; H950-M1011 WeakPolarHBondContact O-CA 3.41Å
951	A	91.6	Very high	94.9	Very high	15 Å²	15	18.5 Å²	18.5	12%	0.124	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	154.1	173.5	0	0	0	0	0	110	N948 F953	N948-A951 PolarHBondContact N-O 2.92Å; N948-A951 PolarHBondContact OD1-N 2.78Å; N948-A951 PolarHBondContact OD1-O 3Å; A951-F953 HydrophobicContact CB-CD2 4.33Å; A951-F953 HydrophobicContact CB-CE2 3.62Å; A951-F953 HydrophobicContact CB-CZ 4.12Å
952	I	94.8	Very high	94.8	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	123.2	173.7	-174.6	166.9	0	0	0	109.2	L945 L946 E947 I1000 L1003 M1011 K1012 L1013 Q1014	L945-I952 HydrophobicContact CD1-CD1 3.92Å; L945-I952 HydrophobicContact CD1-CG1 3.76Å; L945-I952 HydrophobicContact CD2-CD1 4.16Å; L945-I952 HydrophobicContact CG-CD1 4.14Å; L945-I952 HydrophobicContact CG-CG1 4.17Å; L946-I952 CarbonylContact O-C 3.55Å; L946-I952 WeakPolarHBondContact O-CA 3.26Å; E947-I952 HydrophobicContact CB-CB 4.27Å; E947-I952 HydrophobicContact CB-CD1 4.24Å; E947-I952 HydrophobicContact CB-CG1 4.08Å; I952-I1000 HydrophobicContact CD1-CG1 4.22Å; I952-I1000 HydrophobicContact CD1-CG2 4.46Å; I952-L1003 HydrophobicContact CD1-CB 4.42Å; I952-L1003 HydrophobicContact CD1-CD1 3.81Å; I952-M1011 HydrophobicContact CB-CB 4.26Å; I952-M1011 HydrophobicContact CB-CE 4.36Å; I952-M1011 HydrophobicContact CB-SD 4.37Å; I952-M1011 HydrophobicContact CD1-CE 4.37Å; I952-M1011 HydrophobicContact CG2-CB 3.94Å; I952-K1012 PolarHBondContact N-O 3.21Å; I952-L1013 HydrophobicContact CG2-CB 4.15Å; I952-L1013 HydrophobicContact CG2-CD1 4.11Å; I952-L1013 CarbonylContact O-C 3.46Å; I952-L1013 VanDerWaalsContact O-CA 3.31Å; I952-L1013 WeakPolarHBondContact O-CA 3.25Å; I952-Q1014 PolarHBondContact O-N 2.72Å
953	F	96.2	Very high	94.7	Very high	8 Å²	8	25.4 Å²	25.4	4%	0.035	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	129.3	-174.3	-66.3	-92	0	0	0	110.3	L945 L946 A951 Q1014 V1016 L1025 F1026 L1029	L945-F953 CarbonylContact C-O 3.54Å; L945-F953 VanDerWaalsContact CA-O 3.3Å; L945-F953 WeakPolarHBondContact CA-O 3.46Å; L946-F953 HydrophobicContact CB-CB 4.41Å; L946-F953 HydrophobicContact CD2-CD2 4.21Å; L946-F953 PolarHBondContact N-O 3.12Å; L946-F953 PolarHBondContact O-N 2.93Å; A951-F953 HydrophobicContact CB-CD2 4.33Å; A951-F953 HydrophobicContact CB-CE2 3.62Å; A951-F953 HydrophobicContact CB-CZ 4.12Å; F953-Q1014 CarbonylContact C-O 3.59Å; F953-Q1014 VanDerWaalsContact CA-O 3.25Å; F953-Q1014 WeakPolarHBondContact CA-O 3.39Å; F953-Q1014 HydrophobicContact CD1-CB 3.85Å; F953-Q1014 HydrophobicContact CE1-CB 4.01Å; F953-Q1014 HydrophobicContact CE1-CG 4.46Å; F953-V1016 HydrophobicContact CD1-CG2 3.8Å; F953-V1016 HydrophobicContact CE1-CG2 4.47Å; F953-L1025 HydrophobicContact CE1-CB 4.26Å; F953-L1025 HydrophobicContact CZ-CB 4.27Å; F953-F1026 HydrophobicContact CB-CD2 3.83Å; F953-F1026 HydrophobicContact CD1-CB 4.23Å; F953-F1026 HydrophobicContact CG-CD2 4.22Å; F953-L1029 HydrophobicContact CD2-CD1 3.99Å; F953-L1029 HydrophobicContact CE2-CD1 3.46Å; F953-L1029 VanDerWaalsContact CE2-CD1 3.46Å; F953-L1029 HydrophobicContact CZ-CD1 4.33Å
954	L	96.5	Very high	94.6	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	100.6	167.7	-174.1	67.4	0	0	0	108.4	L917 L943 F944 L945 L956 F969 L985 L1013 Q1014 I1015 V1016	L917-L954 HydrophobicContact CD1-CD1 3.96Å; L943-L954 HydrophobicContact CD1-CD1 3.7Å; L943-L954 HydrophobicContact CD1-CD2 4.46Å; L943-L954 HydrophobicContact CD1-CG 4.01Å; L943-L954 HydrophobicContact CG-CD1 4.18Å; F944-L954 CarbonylContact O-C 3.58Å; L945-L954 HydrophobicContact CB-CD1 4.46Å; L945-L954 HydrophobicContact CD1-CB 4.32Å; L945-L954 HydrophobicContact CD1-CD1 4.02Å; L954-L956 HydrophobicContact CG-CD2 4.26Å; L954-F969 HydrophobicContact CD2-CZ 4.12Å; L954-L985 HydrophobicContact CD2-CD1 4.39Å; L954-L985 HydrophobicContact CD2-CD2 3.94Å; L954-L1013 HydrophobicContact CB-CD1 4.35Å; L954-Q1014 PolarHBondContact N-O 3.32Å; L954-I1015 HydrophobicContact CB-CG1 3.89Å; L954-I1015 HydrophobicContact CD2-CG1 4.19Å; L954-I1015 WeakPolarHBondContact O-CA 3.49Å; L954-V1016 PolarHBondContact O-N 2.98Å
955	W	96.9	Very high	94.4	Very high	1 Å²	1	26 Å²	26	0%	0.004	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	134	-178.1	-178.1	100.3	0	0	0	111	L938 S939 G942 F944 G957 V1016 Q1018 E1023 F1026	L938-W955 HydrophobicContact CB-CH2 4.04Å; L938-W955 HydrophobicContact CB-CZ2 4.31Å; L938-W955 HydrophobicContact CD1-CZ2 4.13Å; S939-W955 VanDerWaalsContact O-CH2 3.27Å; S939-W955 WeakPolarHBondContact O-CH2 3.23Å; S939-W955 VanDerWaalsContact O-CZ3 3.3Å; S939-W955 WeakPolarHBondContact O-CZ3 3.42Å; G942-W955 WeakPolarHBondContact O-CZ3 3.41Å; F944-W955 AromaticContact CD2-CE3 3.7Å; F944-W955 HydrophobicContact CD2-CE3 3.7Å; F944-W955 AromaticContact CD2-CZ3 3.8Å; F944-W955 HydrophobicContact CD2-CZ3 3.8Å; F944-W955 HydrophobicContact CE2-CE3 4.42Å; F944-W955 HydrophobicContact CE2-CZ3 4.06Å; F944-W955 PolarHBondContact N-O 2.83Å; F944-W955 VanDerWaalsContact N-O 3.09Å; F944-W955 PolarHBondContact O-N 3.4Å; W955-G957 VanDerWaalsContact CZ3-CA 3.46Å; W955-V1016 CarbonylContact C-O 3.55Å; W955-V1016 WeakPolarHBondContact CA-O 3.31Å; W955-Q1018 HydrophobicContact CH2-CB 4.42Å; W955-Q1018 HydrophobicContact CH2-CG 4.26Å; W955-Q1018 HydrophobicContact CZ2-CB 3.78Å; W955-Q1018 HydrophobicContact CZ2-CG 3.53Å; W955-E1023 PolarHBondContact NE1-OE1 2.8Å; W955-F1026 HydrophobicContact CB-CD2 4.27Å; W955-F1026 HydrophobicContact CB-CE1 4.2Å; W955-F1026 HydrophobicContact CB-CE2 3.77Å; W955-F1026 HydrophobicContact CB-CZ 3.73Å; W955-F1026 AromaticContact CD1-CD1 3.45Å; W955-F1026 VanDerWaalsContact CD1-CD1 3.45Å; W955-F1026 AromaticContact CD1-CE1 3.29Å; W955-F1026 AromaticContact CD1-CZ 3.76Å; W955-F1026 HydrophobicContact CD2-CE1 4.4Å; W955-F1026 HydrophobicContact CD2-CZ 4.47Å; W955-F1026 HydrophobicContact CG-CD1 4.24Å; W955-F1026 AromaticContact CG-CE1 3.75Å; W955-F1026 HydrophobicContact CG-CE1 3.75Å; W955-F1026 HydrophobicContact CG-CE2 4.23Å; W955-F1026 AromaticContact CG-CZ 3.74Å; W955-F1026 HydrophobicContact CG-CZ 3.74Å; W955-F1026 AromaticContact NE1-CD1 3.96Å; W955-F1026 AromaticContact NE1-CE1 3.68Å
956	L	96.1	Very high	94.3	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	116.2	-176.4	-47.8	-179	0	0	0	109.4	L943 L954 I965 F969 L974 L977 I1015 V1016 R1017 Q1018	L943-L956 HydrophobicContact CD1-CD2 3.29Å; L954-L956 HydrophobicContact CG-CD2 4.26Å; L956-I965 HydrophobicContact CD1-CD1 4.38Å; L956-F969 HydrophobicContact CD1-CE2 3.95Å; L956-F969 HydrophobicContact CD1-CZ 3.97Å; L956-F969 HydrophobicContact CD2-CE2 4.08Å; L956-F969 HydrophobicContact CD2-CZ 4.22Å; L956-L974 HydrophobicContact CB-CD1 3.63Å; L956-L974 HydrophobicContact CD1-CD1 3.6Å; L956-L974 HydrophobicContact CG-CD1 4.25Å; L956-L977 HydrophobicContact CD1-CD1 3.44Å; L956-L977 VanDerWaalsContact CD1-CD1 3.44Å; L956-I1015 HydrophobicContact CD1-CG2 3.74Å; L956-I1015 HydrophobicContact CG-CG2 4.22Å; L956-V1016 PolarHBondContact N-O 2.91Å; L956-R1017 HydrophobicContact CD1-CG 4.41Å; L956-Q1018 PolarHBondContact O-N 3.26Å
957	G	96.2	Very high	94.1	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	18%	0.184	C	C	.	.			trans	-63.4	149.2	175.6	0	0	0	0	0	112.8	D940 G942 W955 A959 S960	D940-G957 CarbonylContact O-C 3.55Å; D940-G957 WeakPolarHBondContact O-CA 3.41Å; G942-G957 PolarHBondContact O-N 3.28Å; W955-G957 VanDerWaalsContact CZ3-CA 3.46Å; G957-A959 PolarHBondContact O-N 3.38Å; G957-A959 VanDerWaalsContact O-N 3.12Å; G957-S960 PolarHBondContact N-OG 2.94Å; G957-S960 VanDerWaalsContact N-OG 3.08Å; G957-S960 WeakPolarHBondContact O-CB 3.45Å; G957-S960 PolarHBondContact O-N 2.85Å; G957-S960 PolarHBondContact O-OG 2.82Å
958	Q	94.7	Very high	94	Very high	93 Å²	93	31.2 Å²	31.2	44%	0.435	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-27.4	-176.7	-177.9	67.3	96.4	0	0	113.5	D940 Q1018	D940-Q958 PolarHBondContact O-N 3.04Å; D940-Q958 VanDerWaalsContact O-N 3.15Å; Q958-Q1018 HydrophobicContact CB-CB 4.28Å
959	A	94.7	Very high	94	Very high	62 Å²	62	30.6 Å²	30.6	51%	0.512	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-114	26.2	178.7	0	0	0	0	0	112.6	D940 G957	D940-A959 HydrophobicContact CB-CB 4.48Å; D940-A959 CarbonylContact O-C 3.05Å; D940-A959 VanDerWaalsContact O-CA 3.31Å; D940-A959 WeakPolarHBondContact O-CA 3.35Å; D940-A959 WeakPolarHBondContact O-CB 3.33Å; D940-A959 PolarHBondContact O-N 2.85Å; G957-A959 PolarHBondContact O-N 3.38Å; G957-A959 VanDerWaalsContact O-N 3.12Å
960	S	94.3	Very high	94.1	Very high	11 Å²	11	35 Å²	35	8%	0.077	20%	0.202	C	C	.	.			trans	-51.4	133.1	173.2	-66	0	0	0	0	111.4	D940 G957	D940-S960 PolarHBondContact O-N 2.96Å; G957-S960 PolarHBondContact N-OG 2.94Å; G957-S960 VanDerWaalsContact N-OG 3.08Å; G957-S960 WeakPolarHBondContact O-CB 3.45Å; G957-S960 PolarHBondContact O-N 2.85Å; G957-S960 PolarHBondContact O-OG 2.82Å
961	P	93.9	Very high	94.3	Very high	55 Å²	55	33.4 Å²	33.4	36%	0.357	20%	0.195	S	C	.	.			trans	-54.9	133.5	-178.7	-28.9	35	0	0	0	113.4	S941 D963 L964 I965	S941-P961 VanDerWaalsContact O-CD 3.3Å; S941-P961 WeakPolarHBondContact O-CD 3.49Å; P961-D963 VanDerWaalsContact C-N 3.25Å; P961-D963 PolarHBondContact O-N 2.93Å; P961-L964 HydrophobicContact CB-CB 4.25Å; P961-L964 WeakPolarHBondContact O-CB 3.31Å; P961-L964 PolarHBondContact O-N 2.93Å; P961-L964 VanDerWaalsContact O-N 3.1Å; P961-I965 PolarHBondContact O-N 2.79Å
962	P	93.6	Very high	94.4	Very high	74 Å²	74	36.3 Å²	36.3	48%	0.481	21%	0.213	S	C	.	.	H	α-helix	trans	-53.1	-40.1	177.4	-29.6	36.8	0	0	0	113.6	L964 I965 Q966	P962-L964 VanDerWaalsContact C-N 3.31Å; P962-L964 PolarHBondContact O-N 2.75Å; P962-I965 PolarHBondContact O-N 3.33Å; P962-I965 VanDerWaalsContact O-N 3.17Å; P962-Q966 WeakPolarHBondContact O-CB 3.41Å; P962-Q966 PolarHBondContact O-N 3.01Å
963	D	92.8	Very high	94.3	Very high	129 Å²	129	38 Å²	38	69%	0.69	23%	0.225	S	C	*	.	H	α-helix	trans	-64.4	-34.3	-179.2	-53.8	-44.9	0	0	0	112.7	P961 S967	P961-D963 VanDerWaalsContact C-N 3.25Å; P961-D963 PolarHBondContact O-N 2.93Å; D963-S967 WeakPolarHBondContact O-CB 3.41Å; D963-S967 PolarHBondContact O-N 3.05Å; D963-S967 PolarHBondContact O-OG 2.86Å
964	L	92.1	Very high	94	Very high	17 Å²	17	38.4 Å²	38.4	9%	0.089	23%	0.227	C	C	.	.	H	α-helix	trans	-70.7	-40.3	174.9	174.9	149.5	0	0	0	110.9	L943 P961 P962 S967 L968 L992	L943-L964 HydrophobicContact CB-CD1 4.11Å; L943-L964 HydrophobicContact CB-CD2 4.35Å; L943-L964 HydrophobicContact CD1-CD2 4.43Å; L943-L964 HydrophobicContact CD2-CD1 4.06Å; L943-L964 HydrophobicContact CD2-CD2 4.19Å; L943-L964 HydrophobicContact CD2-CG 4.39Å; P961-L964 HydrophobicContact CB-CB 4.25Å; P961-L964 WeakPolarHBondContact O-CB 3.31Å; P961-L964 PolarHBondContact O-N 2.93Å; P961-L964 VanDerWaalsContact O-N 3.1Å; P962-L964 VanDerWaalsContact C-N 3.31Å; P962-L964 PolarHBondContact O-N 2.75Å; L964-S967 PolarHBondContact O-N 2.73Å; L964-L968 HydrophobicContact CD2-CD1 3.95Å; L964-L968 HydrophobicContact CG-CD1 4.1Å; L964-L968 WeakPolarHBondContact O-CB 3.26Å; L964-L968 PolarHBondContact O-N 3.45Å; L964-L992 HydrophobicContact CG-CD2 4.19Å
965	I	94.3	Very high	93.7	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-67.8	-43.3	175.5	-58.4	-61.8	0	0	0	111	L956 P961 P962 S967 L968 F969 V971 L974	L956-I965 HydrophobicContact CD1-CD1 4.38Å; P961-I965 PolarHBondContact O-N 2.79Å; P962-I965 PolarHBondContact O-N 3.33Å; P962-I965 VanDerWaalsContact O-N 3.17Å; I965-S967 VanDerWaalsContact C-N 3.33Å; I965-S967 PolarHBondContact O-N 2.88Å; I965-L968 PolarHBondContact O-N 2.84Å; I965-F969 HydrophobicContact CD1-CD2 4.37Å; I965-F969 HydrophobicContact CD1-CE2 4.33Å; I965-F969 HydrophobicContact CG2-CD2 4.14Å; I965-F969 WeakPolarHBondContact O-CA 3.23Å; I965-F969 WeakPolarHBondContact O-CB 3.49Å; I965-F969 PolarHBondContact O-N 2.97Å; I965-V971 HydrophobicContact CG2-CG2 3.81Å; I965-L974 HydrophobicContact CD1-CD1 3.72Å; I965-L974 HydrophobicContact CG1-CD1 4.42Å
966	Q	94.3	Very high	93.3	Very high	70 Å²	70	47.4 Å²	47.4	33%	0.327	28%	0.284	S	S	.	.	H	α-helix	trans	-62.5	-40.3	175	-174	66.9	50.2	0	0	111.1	P962 N970 V971 P972	P962-Q966 WeakPolarHBondContact O-CB 3.41Å; P962-Q966 PolarHBondContact O-N 3.01Å; Q966-N970 PolarHBondContact NE2-O 2.97Å; Q966-N970 PolarHBondContact NE2-OD1 2.89Å; Q966-N970 WeakPolarHBondContact O-CA 3.44Å; Q966-N970 PolarHBondContact O-N 2.65Å; Q966-V971 WeakPolarHBondContact CA-O 3.27Å; Q966-V971 PolarHBondContact N-O 2.9Å; Q966-V971 PolarHBondContact OE1-O 2.72Å; Q966-P972 VanDerWaalsContact OE1-CA 3.3Å
967	S	93.4	Very high	92.9	Very high	41 Å²	41	47.9 Å²	47.9	29%	0.287	29%	0.287	S	S	.	.	H	α-helix	trans	-69.9	-31.4	178.7	-61.7	0	0	0	0	113.7	D963 L964 I965 L988 N990	D963-S967 WeakPolarHBondContact O-CB 3.41Å; D963-S967 PolarHBondContact O-N 3.05Å; D963-S967 PolarHBondContact O-OG 2.86Å; L964-S967 PolarHBondContact O-N 2.73Å; I965-S967 VanDerWaalsContact C-N 3.33Å; I965-S967 PolarHBondContact O-N 2.88Å; S967-L988 WeakPolarHBondContact O-CD1 3.45Å; S967-N990 PolarHBondContact O-ND2 3.27Å; S967-N990 PolarHBondContact O-OD1 3.18Å
968	L	93.1	Very high	92.2	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-93.5	-31.5	-179	-74.9	167.5	0	0	0	114.3	L943 L964 I965 P986 L992 V996	L943-L968 HydrophobicContact CD1-CD1 4.35Å; L943-L968 HydrophobicContact CD2-CD1 3.48Å; L943-L968 VanDerWaalsContact CD2-CD1 3.48Å; L964-L968 HydrophobicContact CD2-CD1 3.95Å; L964-L968 HydrophobicContact CG-CD1 4.1Å; L964-L968 WeakPolarHBondContact O-CB 3.26Å; L964-L968 PolarHBondContact O-N 3.45Å; I965-L968 PolarHBondContact O-N 2.84Å; L968-P986 WeakPolarHBondContact O-CG 3.42Å; L968-L992 HydrophobicContact CD1-CD2 4.34Å; L968-L992 HydrophobicContact CD2-CG 4.18Å; L968-L992 HydrophobicContact CG-CD2 4.16Å; L968-L992 HydrophobicContact CG-CG 4.26Å; L968-V996 HydrophobicContact CD2-CB 3.87Å; L968-V996 HydrophobicContact CD2-CG1 4.2Å; L968-V996 HydrophobicContact CD2-CG2 3.9Å
969	F	93.9	Very high	91.2	Very high	3 Å²	3	56.6 Å²	56.6	1%	0.013	33%	0.327	C	S	.	.	H	α-helix	trans	-126.1	-5.4	-169.5	-59.6	-82.3	0	0	0	114.4	L954 L956 I965 V971 L977 H981 L985 I1015	L954-F969 HydrophobicContact CD2-CZ 4.12Å; L956-F969 HydrophobicContact CD1-CE2 3.95Å; L956-F969 HydrophobicContact CD1-CZ 3.97Å; L956-F969 HydrophobicContact CD2-CE2 4.08Å; L956-F969 HydrophobicContact CD2-CZ 4.22Å; I965-F969 HydrophobicContact CD1-CD2 4.37Å; I965-F969 HydrophobicContact CD1-CE2 4.33Å; I965-F969 HydrophobicContact CG2-CD2 4.14Å; I965-F969 WeakPolarHBondContact O-CA 3.23Å; I965-F969 WeakPolarHBondContact O-CB 3.49Å; I965-F969 PolarHBondContact O-N 2.97Å; F969-V971 HydrophobicContact CB-CG2 4.08Å; F969-V971 PolarHBondContact O-N 2.81Å; F969-L977 HydrophobicContact CB-CD2 3.56Å; F969-L977 HydrophobicContact CD1-CD2 3.65Å; F969-L977 HydrophobicContact CD2-CD2 3.95Å; F969-L977 HydrophobicContact CE1-CD2 4.28Å; F969-L977 HydrophobicContact CG-CD2 3.45Å; F969-L977 VanDerWaalsContact CG-CD2 3.45Å; F969-H981 HydrophobicContact CD1-CB 4.42Å; F969-L985 HydrophobicContact CD1-CD2 4.18Å; F969-L985 HydrophobicContact CE1-CD2 3.56Å; F969-L985 HydrophobicContact CZ-CD2 3.88Å; F969-I1015 HydrophobicContact CE1-CD1 4.13Å; F969-I1015 HydrophobicContact CE1-CG1 4.46Å; F969-I1015 HydrophobicContact CE1-CG2 4.14Å; F969-I1015 HydrophobicContact CZ-CG2 3.96Å
970	N	93.6	Very high	89.8	Confident	104 Å²	104	60.9 Å²	60.9	56%	0.556	34%	0.337	S	S	*	.	S	Bend	trans	58	25.6	-175.8	-159.9	41	0	0	0	114.8	Q966 L988	Q966-N970 PolarHBondContact NE2-O 2.97Å; Q966-N970 PolarHBondContact NE2-OD1 2.89Å; Q966-N970 WeakPolarHBondContact O-CA 3.44Å; Q966-N970 PolarHBondContact O-N 2.65Å; N970-L988 HydrophobicContact CB-CD1 3.85Å; N970-L988 HydrophobicContact CB-CD2 3.82Å
971	V	93.9	Very high	88.7	Confident	18 Å²	18	62.3 Å²	62.3	11%	0.109	34%	0.342	C	S	.	.	S	Bend	trans	-121.1	146.7	175.4	-55.3	0	0	0	0	111.5	I965 Q966 F969 S973 H976 L977	I965-V971 HydrophobicContact CG2-CG2 3.81Å; Q966-V971 WeakPolarHBondContact CA-O 3.27Å; Q966-V971 PolarHBondContact N-O 2.9Å; Q966-V971 PolarHBondContact OE1-O 2.72Å; F969-V971 HydrophobicContact CB-CG2 4.08Å; F969-V971 PolarHBondContact O-N 2.81Å; V971-S973 VanDerWaalsContact C-N 3.31Å; V971-S973 PolarHBondContact O-N 3.16Å; V971-H976 HydrophobicContact CB-CB 3.83Å; V971-H976 HydrophobicContact CG2-CB 4.05Å; V971-L977 HydrophobicContact CG2-CD2 3.65Å; V971-L977 HydrophobicContact CG2-CG 4.09Å
972	P	92.8	Very high	88	Confident	76 Å²	76	60.8 Å²	60.8	49%	0.494	33%	0.33	S	S	.	.	S	Bend	trans	-76.8	-10.4	-165.8	28.6	-36.2	0	0	0	115.1	Q966	Q966-P972 VanDerWaalsContact OE1-CA 3.3Å
973	S	92.5	Very high	87.4	Confident	37 Å²	37	60.5 Å²	60.5	26%	0.259	32%	0.322	S	S	.	.	S	Bend	trans	-164.2	166.3	170	74.3	0	0	0	0	112.2	V971 A975 H976	V971-S973 VanDerWaalsContact C-N 3.31Å; V971-S973 PolarHBondContact O-N 3.16Å; S973-A975 PolarHBondContact O-N 2.86Å; S973-H976 WeakPolarHBondContact O-CB 3.35Å; S973-H976 PolarHBondContact O-N 3.41Å; S973-H976 PolarHBondContact OG-CE1 2.91Å; S973-H976 PolarHBondContact OG-ND1 3.18Å
974	L	90.1	Very high	87	Confident	16 Å²	16	58.4 Å²	58.4	8%	0.084	31%	0.313	C	S	.	.	G	3₁₀ helix	trans	-52.4	-30.1	178.4	-162.5	78.6	0	0	0	114.1	L956 I965 H976 L977 R1017	L956-L974 HydrophobicContact CB-CD1 3.63Å; L956-L974 HydrophobicContact CD1-CD1 3.6Å; L956-L974 HydrophobicContact CG-CD1 4.25Å; I965-L974 HydrophobicContact CD1-CD1 3.72Å; I965-L974 HydrophobicContact CG1-CD1 4.42Å; L974-H976 VanDerWaalsContact C-N 3.27Å; L974-H976 PolarHBondContact O-N 2.63Å; L974-L977 HydrophobicContact CD1-CD1 3.74Å; L974-L977 HydrophobicContact CG-CD1 4.35Å; L974-L977 WeakPolarHBondContact O-CB 3.41Å; L974-L977 PolarHBondContact O-N 3.4Å; L974-R1017 HydrophobicContact CD1-CG 4.15Å; L974-R1017 HydrophobicContact CD2-CG 4.31Å; L974-R1017 HydrophobicContact CG-CG 4.16Å; L974-R1017 PolarHBondContact O-NH1 3.44Å
975	A	89.7	Confident	86.7	Confident	87 Å²	87	58.2 Å²	58.2	72%	0.719	31%	0.313	S	S	*	.	G	3₁₀ helix	trans	-70.6	-20.6	178.3	0	0	0	0	0	113.6	S973 L977	S973-A975 PolarHBondContact O-N 2.86Å; A975-L977 VanDerWaalsContact C-N 3.35Å
976	H	90.6	Very high	86.5	Confident	103 Å²	103	59.8 Å²	59.8	48%	0.477	32%	0.323	S	S	.	.	G	3₁₀ helix	trans	-89.4	0.1	178.6	-62.4	87.7	0	0	0	112.9	V971 S973 L974 Q978	V971-H976 HydrophobicContact CB-CB 3.83Å; V971-H976 HydrophobicContact CG2-CB 4.05Å; S973-H976 WeakPolarHBondContact O-CB 3.35Å; S973-H976 PolarHBondContact O-N 3.41Å; S973-H976 PolarHBondContact OG-CE1 2.91Å; S973-H976 PolarHBondContact OG-ND1 3.18Å; L974-H976 VanDerWaalsContact C-N 3.27Å; L974-H976 PolarHBondContact O-N 2.63Å; H976-Q978 PolarHBondContact O-N 2.79Å; H976-Q978 VanDerWaalsContact O-N 3.08Å
977	L	87.3	Confident	86.4	Confident	10 Å²	10	64.3 Å²	64.3	5%	0.052	34%	0.344	C	S	.	.			trans	-71.4	103.7	174.4	-68.2	174.1	0	0	0	110.9	L956 F969 V971 L974 A975 H981 M982 R1017	L956-L977 HydrophobicContact CD1-CD1 3.44Å; L956-L977 VanDerWaalsContact CD1-CD1 3.44Å; F969-L977 HydrophobicContact CB-CD2 3.56Å; F969-L977 HydrophobicContact CD1-CD2 3.65Å; F969-L977 HydrophobicContact CD2-CD2 3.95Å; F969-L977 HydrophobicContact CE1-CD2 4.28Å; F969-L977 HydrophobicContact CG-CD2 3.45Å; F969-L977 VanDerWaalsContact CG-CD2 3.45Å; V971-L977 HydrophobicContact CG2-CD2 3.65Å; V971-L977 HydrophobicContact CG2-CG 4.09Å; L974-L977 HydrophobicContact CD1-CD1 3.74Å; L974-L977 HydrophobicContact CG-CD1 4.35Å; L974-L977 WeakPolarHBondContact O-CB 3.41Å; L974-L977 PolarHBondContact O-N 3.4Å; A975-L977 VanDerWaalsContact C-N 3.35Å; L977-H981 HydrophobicContact CD2-CB 4.43Å; L977-M982 HydrophobicContact CB-CE 3.89Å; L977-M982 HydrophobicContact CD1-CE 4.33Å; L977-R1017 PolarHBondContact O-NH1 3.49Å
978	Q	81.7	Confident	86.4	Confident	118 Å²	118	63.6 Å²	63.6	55%	0.551	34%	0.337	S	S	*	.			trans	-73.2	161.6	171.7	-66.7	173.8	-26.2	0	0	112.1	H976 E980 H981	H976-Q978 PolarHBondContact O-N 2.79Å; H976-Q978 VanDerWaalsContact O-N 3.08Å; Q978-E980 VanDerWaalsContact C-N 3.26Å; Q978-E980 PolarHBondContact O-N 3.15Å; Q978-H981 PolarHBondContact O-N 2.81Å
979	Q	72.9	Confident	86.4	Confident	157 Å²	157	70.3 Å²	70.3	73%	0.734	37%	0.372	S	S	*	.	G	3₁₀ helix	trans	-62.5	-29	-176	-175.2	171.4	-27.3	0	0	113.8	H981 M982	Q979-H981 VanDerWaalsContact C-N 3.29Å; Q979-H981 PolarHBondContact O-N 2.88Å; Q979-M982 VanDerWaalsContact O-CB 3.3Å; Q979-M982 WeakPolarHBondContact O-CB 3.42Å; Q979-M982 WeakPolarHBondContact O-CG 3.34Å; Q979-M982 PolarHBondContact O-N 2.85Å; Q979-M982 VanDerWaalsContact O-N 3.1Å
980	E	66.3	Low	86.4	Confident	153 Å²	153	71.9 Å²	71.9	72%	0.715	38%	0.381	S	S	*	.	G	3₁₀ helix	trans	-61.3	-36.9	176.6	-66.8	166.3	-130.8	0	0	111.9	Q978 M982	Q978-E980 VanDerWaalsContact C-N 3.26Å; Q978-E980 PolarHBondContact O-N 3.15Å; E980-M982 PolarHBondContact O-N 3.07Å
981	H	69.6	Low	86.3	Confident	41 Å²	41	70.9 Å²	70.9	19%	0.19	38%	0.38	C	S	.	.	G	3₁₀ helix	trans	-76.2	4.5	176.2	-58.1	132.2	0	0	0	114	F969 L977 Q978 Q979 I1015	F969-H981 HydrophobicContact CD1-CB 4.42Å; L977-H981 HydrophobicContact CD2-CB 4.43Å; Q978-H981 PolarHBondContact O-N 2.81Å; Q979-H981 VanDerWaalsContact C-N 3.29Å; Q979-H981 PolarHBondContact O-N 2.88Å; H981-I1015 WeakPolarHBondContact O-CD1 3.48Å
982	M	80.2	Confident	86.2	Confident	23 Å²	23	71.4 Å²	71.4	11%	0.113	38%	0.382	C	S	.	.	G	3₁₀ helix	trans	-86.8	-8.3	-175.9	-59.7	-69.5	90.1	0	0	114.4	L977 Q979 E980 I1015	L977-M982 HydrophobicContact CB-CE 3.89Å; L977-M982 HydrophobicContact CD1-CE 4.33Å; Q979-M982 VanDerWaalsContact O-CB 3.3Å; Q979-M982 WeakPolarHBondContact O-CB 3.42Å; Q979-M982 WeakPolarHBondContact O-CG 3.34Å; Q979-M982 PolarHBondContact O-N 2.85Å; Q979-M982 VanDerWaalsContact O-N 3.1Å; E980-M982 PolarHBondContact O-N 3.07Å; M982-I1015 HydrophobicContact CE-CB 4.32Å; M982-I1015 HydrophobicContact CE-CG2 3.77Å; M982-I1015 PolarHBondContact O-N 2.88Å; M982-I1015 HydrophobicContact SD-CG2 4.48Å
983	F	81.4	Confident	86.3	Confident	68 Å²	68	67.8 Å²	67.8	30%	0.298	36%	0.359	S	S	.	.	S	Bend	trans	-128.8	-3.4	-176.1	-54.1	-68.1	0	0	0	114.3	T693	T693-F983 HydrophobicContact CG2-CD2 3.64Å; T693-F983 HydrophobicContact CG2-CE2 4.05Å; T693-F983 HydrophobicContact CG2-CG 4.36Å
984	T	83.3	Confident	86.3	Confident	84 Å²	84	71.4 Å²	71.4	52%	0.515	37%	0.37	S	S	.	.			trans	-150.4	152.1	-178.4	-175	0	0	0	0	110.6
985	L	86.9	Confident	86.5	Confident	14 Å²	14	71.8 Å²	71.8	7%	0.073	37%	0.371	C	S	.	.			trans	-98.1	132.6	171.2	-75	173.4	0	0	0	109.4	L954 F969 V996 R997 I1000 L1013 I1015	L954-L985 HydrophobicContact CD2-CD1 4.39Å; L954-L985 HydrophobicContact CD2-CD2 3.94Å; F969-L985 HydrophobicContact CD1-CD2 4.18Å; F969-L985 HydrophobicContact CE1-CD2 3.56Å; F969-L985 HydrophobicContact CZ-CD2 3.88Å; L985-V996 HydrophobicContact CD1-CG1 3.99Å; L985-R997 HydrophobicContact CB-CG 4.08Å; L985-R997 HydrophobicContact CD1-CG 3.93Å; L985-I1000 HydrophobicContact CD1-CD1 3.65Å; L985-L1013 HydrophobicContact CG-CD2 4.31Å; L985-I1015 HydrophobicContact CD2-CD1 4.3Å
986	P	89.4	Confident	86.7	Confident	32 Å²	32	67.6 Å²	67.6	21%	0.208	34%	0.337	C	S	.	.			trans	-65.5	149.5	176.8	26.9	-33	0	0	0	111.9	L968 L988	L968-P986 WeakPolarHBondContact O-CG 3.42Å; P986-L988 HydrophobicContact CB-CD2 4.16Å; P986-L988 HydrophobicContact CB-CG 4.2Å; P986-L988 HydrophobicContact CG-CD1 4.05Å; P986-L988 HydrophobicContact CG-CD2 4.37Å; P986-L988 HydrophobicContact CG-CG 4.06Å; P986-L988 PolarHBondContact O-N 3Å
987	E	91.1	Very high	86.8	Confident	165 Å²	165	65.1 Å²	65.1	77%	0.771	32%	0.323	S	S	*	.			trans	-78.5	83.7	179.6	-65.5	-132.9	100.3	0	0	111.5	R997	E987-R997 IonicContact OE1-CZ 2.69Å; E987-R997 IonicContact OE1-NH1 2.92Å; E987-R997 PolarHBondContact OE1-NH1 3.2Å
988	L	93.8	Very high	87.1	Confident	27 Å²	27	66.4 Å²	66.4	14%	0.141	34%	0.339	C	S	.	.			trans	-99.4	138.6	-178.7	-51.6	178.1	0	0	0	111.9	S967 N970 P986 N990 R997	S967-L988 WeakPolarHBondContact O-CD1 3.45Å; N970-L988 HydrophobicContact CB-CD1 3.85Å; N970-L988 HydrophobicContact CB-CD2 3.82Å; P986-L988 HydrophobicContact CB-CD2 4.16Å; P986-L988 HydrophobicContact CB-CG 4.2Å; P986-L988 HydrophobicContact CG-CD1 4.05Å; P986-L988 HydrophobicContact CG-CD2 4.37Å; P986-L988 HydrophobicContact CG-CG 4.06Å; P986-L988 PolarHBondContact O-N 3Å; L988-N990 VanDerWaalsContact C-N 3.34Å; L988-N990 WeakPolarHBondContact CB-ND2 3.36Å; L988-N990 PolarHBondContact O-N 2.68Å; L988-R997 PolarHBondContact O-NH2 2.7Å
989	D	92.8	Very high	87.7	Confident	140 Å²	140	61 Å²	61	75%	0.749	31%	0.314	S	S	*	.			trans	-88.6	66.5	178.4	-168	18.2	0	0	0	111.5	K994	D989-K994 WeakPolarHBondContact OD1-CE 3.46Å; D989-K994 IonicContact OD1-NZ 3.24Å; D989-K994 PolarHBondContact OD1-NZ 2.92Å
990	N	93.8	Very high	88.6	Confident	37 Å²	37	54.1 Å²	54.1	20%	0.198	28%	0.281	C	S	.	.	S	Bend	trans	-142.5	159	171.6	70.3	72.8	0	0	0	111.3	S967 L988 L992 S993 K994	S967-N990 PolarHBondContact O-ND2 3.27Å; S967-N990 PolarHBondContact O-OD1 3.18Å; L988-N990 VanDerWaalsContact C-N 3.34Å; L988-N990 WeakPolarHBondContact CB-ND2 3.36Å; L988-N990 PolarHBondContact O-N 2.68Å; N990-L992 PolarHBondContact O-N 3.34Å; N990-L992 PolarHBondContact OD1-N 2.82Å; N990-S993 PolarHBondContact O-N 3.3Å; N990-S993 PolarHBondContact OD1-N 3.13Å; N990-K994 WeakPolarHBondContact O-CB 3.36Å; N990-K994 WeakPolarHBondContact O-CG 3.38Å; N990-K994 PolarHBondContact O-N 3.39Å
991	P	92.6	Very high	89.8	Confident	83 Å²	83	49.7 Å²	49.7	54%	0.539	27%	0.267	S	S	.	.	H	α-helix	trans	-58	-43.2	-175	-27.4	36.8	0	0	0	114	A922 K994 K995	A922-P991 HydrophobicContact CB-CB 3.72Å; P991-K994 PolarHBondContact O-N 3.06Å; P991-K995 VanDerWaalsContact O-CB 3.25Å; P991-K995 WeakPolarHBondContact O-CB 3.29Å; P991-K995 PolarHBondContact O-N 3.4Å
992	L	92.3	Very high	90.9	Very high	29 Å²	29	51.1 Å²	51.1	15%	0.152	27%	0.274	C	S	.	.	H	α-helix	trans	-68.2	-45.7	-176.4	-175	62	0	0	0	112	V920 L964 L968 N990 K995 V996	V920-L992 HydrophobicContact CG1-CD1 3.45Å; V920-L992 VanDerWaalsContact CG1-CD1 3.45Å; L964-L992 HydrophobicContact CG-CD2 4.19Å; L968-L992 HydrophobicContact CD1-CD2 4.34Å; L968-L992 HydrophobicContact CD2-CG 4.18Å; L968-L992 HydrophobicContact CG-CD2 4.16Å; L968-L992 HydrophobicContact CG-CG 4.26Å; N990-L992 PolarHBondContact O-N 3.34Å; N990-L992 PolarHBondContact OD1-N 2.82Å; L992-K995 PolarHBondContact O-N 2.96Å; L992-V996 HydrophobicContact CD1-CG2 4.13Å; L992-V996 WeakPolarHBondContact O-CG2 3.3Å; L992-V996 PolarHBondContact O-N 2.9Å
993	S	93.9	Very high	91.4	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-60.2	-46.3	174.3	178.7	0	0	0	0	111.3	N990 K995 V996 R997	N990-S993 PolarHBondContact O-N 3.3Å; N990-S993 PolarHBondContact OD1-N 3.13Å; S993-K995 PolarHBondContact O-N 3.29Å; S993-V996 PolarHBondContact O-N 3.37Å; S993-R997 VanDerWaalsContact O-CB 3.26Å; S993-R997 WeakPolarHBondContact O-CB 3.24Å; S993-R997 VanDerWaalsContact O-CG 3.25Å; S993-R997 WeakPolarHBondContact O-CG 3.14Å; S993-R997 PolarHBondContact O-N 3.5Å; S993-R997 PolarHBondContact OG-NE 3.35Å
994	K	93.6	Very high	91.8	Very high	112 Å²	112	48.2 Å²	48.2	49%	0.487	26%	0.262	S	S	.	.	H	α-helix	trans	-60.1	-45.2	176.6	-73.1	179.4	-177.5	176.4	0	112	D989 N990 P991 G998	D989-K994 WeakPolarHBondContact OD1-CE 3.46Å; D989-K994 IonicContact OD1-NZ 3.24Å; D989-K994 PolarHBondContact OD1-NZ 2.92Å; N990-K994 WeakPolarHBondContact O-CB 3.36Å; N990-K994 WeakPolarHBondContact O-CG 3.38Å; N990-K994 PolarHBondContact O-N 3.39Å; P991-K994 PolarHBondContact O-N 3.06Å; K994-G998 PolarHBondContact O-N 3.11Å
995	K	93	Very high	92	Very high	24 Å²	24	52 Å²	52	10%	0.104	27%	0.274	C	S	.	.	H	α-helix	trans	-61.8	-49.9	178.8	-179.7	63.1	174.1	179.8	0	112	V920 D921 G924 E925 A926 P991 L992 S993 G998 I999	V920-K995 HydrophobicContact CG1-CG 4.43Å; V920-K995 HydrophobicContact CG2-CD 4.44Å; V920-K995 HydrophobicContact CG2-CG 3.88Å; D921-K995 VanDerWaalsContact O-CE 3.31Å; D921-K995 WeakPolarHBondContact O-CE 3.49Å; G924-K995 WeakPolarHBondContact O-CE 3.36Å; G924-K995 PolarHBondContact O-NZ 3.33Å; E925-K995 PolarHBondContact O-NZ 2.59Å; A926-K995 PolarHBondContact O-NZ 3.02Å; P991-K995 VanDerWaalsContact O-CB 3.25Å; P991-K995 WeakPolarHBondContact O-CB 3.29Å; P991-K995 PolarHBondContact O-N 3.4Å; L992-K995 PolarHBondContact O-N 2.96Å; S993-K995 PolarHBondContact O-N 3.29Å; K995-G998 PolarHBondContact O-N 3.34Å; K995-I999 HydrophobicContact CD-CD1 4.39Å; K995-I999 HydrophobicContact CG-CD1 4.32Å; K995-I999 WeakPolarHBondContact O-CG1 3.49Å; K995-I999 PolarHBondContact O-N 3.24Å
996	V	93.9	Very high	92	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-68.8	-41.9	-178.8	175.5	0	0	0	0	111.7	L917 L968 L985 L992 S993 G998 I999 I1000	L917-V996 HydrophobicContact CD1-CG1 4Å; L917-V996 HydrophobicContact CD1-CG2 4.16Å; L968-V996 HydrophobicContact CD2-CB 3.87Å; L968-V996 HydrophobicContact CD2-CG1 4.2Å; L968-V996 HydrophobicContact CD2-CG2 3.9Å; L985-V996 HydrophobicContact CD1-CG1 3.99Å; L992-V996 HydrophobicContact CD1-CG2 4.13Å; L992-V996 WeakPolarHBondContact O-CG2 3.3Å; L992-V996 PolarHBondContact O-N 2.9Å; S993-V996 PolarHBondContact O-N 3.37Å; V996-G998 VanDerWaalsContact C-N 3.32Å; V996-G998 PolarHBondContact O-N 3.36Å; V996-I999 PolarHBondContact O-N 2.96Å; V996-I1000 HydrophobicContact CG1-CD1 3.93Å; V996-I1000 WeakPolarHBondContact O-CG1 3.41Å; V996-I1000 PolarHBondContact O-N 3.18Å
997	R	93.4	Very high	92	Very high	51 Å²	51	57.1 Å²	57.1	19%	0.192	29%	0.291	C	S	.	.	H	α-helix	trans	-63.9	-36.6	173.5	-69.1	-170.9	-65.3	134.1	-11.8	111.9	L985 E987 L988 S993 I1000 S1001	L985-R997 HydrophobicContact CB-CG 4.08Å; L985-R997 HydrophobicContact CD1-CG 3.93Å; E987-R997 IonicContact OE1-CZ 2.69Å; E987-R997 IonicContact OE1-NH1 2.92Å; E987-R997 PolarHBondContact OE1-NH1 3.2Å; L988-R997 PolarHBondContact O-NH2 2.7Å; S993-R997 VanDerWaalsContact O-CB 3.26Å; S993-R997 WeakPolarHBondContact O-CB 3.24Å; S993-R997 VanDerWaalsContact O-CG 3.25Å; S993-R997 WeakPolarHBondContact O-CG 3.14Å; S993-R997 PolarHBondContact O-N 3.5Å; S993-R997 PolarHBondContact OG-NE 3.35Å; R997-I1000 PolarHBondContact O-N 3.4Å; R997-S1001 WeakPolarHBondContact O-CB 3.43Å; R997-S1001 PolarHBondContact O-N 3.44Å; R997-S1001 PolarHBondContact O-OG 3.19Å
998	G	93.3	Very high	91.6	Very high	37 Å²	37	50.9 Å²	50.9	38%	0.381	27%	0.265	S	S	.	.	H	α-helix	trans	-60.9	-51.9	173.8	0	0	0	0	0	112.7	K994 K995 V996 I1000 S1001 E1002	K994-G998 PolarHBondContact O-N 3.11Å; K995-G998 PolarHBondContact O-N 3.34Å; V996-G998 VanDerWaalsContact C-N 3.32Å; V996-G998 PolarHBondContact O-N 3.36Å; G998-I1000 VanDerWaalsContact C-N 3.33Å; G998-I1000 PolarHBondContact O-N 3Å; G998-S1001 PolarHBondContact O-N 2.88Å; G998-S1001 VanDerWaalsContact O-N 3.17Å; G998-E1002 PolarHBondContact O-N 3.07Å
999	I	93.6	Very high	91.1	Very high	5 Å²	5	52 Å²	52	3%	0.026	27%	0.271	C	S	.	.	H	α-helix	trans	-56.2	-47.6	175.6	-66.2	166.4	0	0	0	110.6	L917 V920 V927 L945 K995 V996 S1001 E1002 L1003	L917-I999 HydrophobicContact CD2-CD1 3.79Å; V920-I999 HydrophobicContact CG2-CD1 4.45Å; V927-I999 HydrophobicContact CG1-CG2 4.16Å; V927-I999 HydrophobicContact CG2-CG1 4.34Å; L945-I999 HydrophobicContact CD2-CG2 3.84Å; K995-I999 HydrophobicContact CD-CD1 4.39Å; K995-I999 HydrophobicContact CG-CD1 4.32Å; K995-I999 WeakPolarHBondContact O-CG1 3.49Å; K995-I999 PolarHBondContact O-N 3.24Å; V996-I999 PolarHBondContact O-N 2.96Å; I999-S1001 VanDerWaalsContact C-N 3.33Å; I999-S1001 PolarHBondContact O-N 3.5Å; I999-E1002 PolarHBondContact O-N 3.18Å; I999-L1003 HydrophobicContact CG2-CD1 3.93Å; I999-L1003 HydrophobicContact CG2-CG 4.47Å; I999-L1003 WeakPolarHBondContact O-CB 3.47Å; I999-L1003 WeakPolarHBondContact O-CG 3.24Å; I999-L1003 PolarHBondContact O-N 3Å
1000	I	93.1	Very high	90.8	Very high	11 Å²	11	45.5 Å²	45.5	6%	0.056	24%	0.237	C	C	.	.	H	α-helix	trans	-62.7	-39.7	179.7	-71.3	167.7	0	0	0	111.4	L945 I952 L985 V996 R997 G998 L1003 L1004 L1013	L945-I1000 HydrophobicContact CD1-CD1 4Å; L945-I1000 HydrophobicContact CD1-CG1 3.9Å; L945-I1000 HydrophobicContact CD2-CG1 4Å; I952-I1000 HydrophobicContact CD1-CG1 4.22Å; I952-I1000 HydrophobicContact CD1-CG2 4.46Å; L985-I1000 HydrophobicContact CD1-CD1 3.65Å; V996-I1000 HydrophobicContact CG1-CD1 3.93Å; V996-I1000 WeakPolarHBondContact O-CG1 3.41Å; V996-I1000 PolarHBondContact O-N 3.18Å; R997-I1000 PolarHBondContact O-N 3.4Å; G998-I1000 VanDerWaalsContact C-N 3.33Å; G998-I1000 PolarHBondContact O-N 3Å; I1000-L1003 PolarHBondContact O-N 2.98Å; I1000-L1004 HydrophobicContact CG2-CD1 3.83Å; I1000-L1004 HydrophobicContact CG2-CG 4.47Å; I1000-L1004 WeakPolarHBondContact O-CB 3.13Å; I1000-L1004 VanDerWaalsContact O-CG 3.24Å; I1000-L1004 WeakPolarHBondContact O-CG 3.35Å; I1000-L1004 PolarHBondContact O-N 2.87Å; I1000-L1013 HydrophobicContact CD1-CD1 4.4Å
1001	S	91.9	Very high	90.7	Very high	60 Å²	60	43.9 Å²	43.9	42%	0.42	23%	0.228	S	C	.	.	H	α-helix	trans	-67.1	-46	178	-56.3	0	0	0	0	111.8	R997 G998 I999 L1003 L1004 E1005	R997-S1001 WeakPolarHBondContact O-CB 3.43Å; R997-S1001 PolarHBondContact O-N 3.44Å; R997-S1001 PolarHBondContact O-OG 3.19Å; G998-S1001 PolarHBondContact O-N 2.88Å; G998-S1001 VanDerWaalsContact O-N 3.17Å; I999-S1001 VanDerWaalsContact C-N 3.33Å; I999-S1001 PolarHBondContact O-N 3.5Å; S1001-L1003 VanDerWaalsContact C-N 3.3Å; S1001-L1003 PolarHBondContact O-N 3.31Å; S1001-L1004 PolarHBondContact O-N 2.87Å; S1001-L1004 VanDerWaalsContact O-N 3.12Å; S1001-E1005 PolarHBondContact O-N 2.86Å
1002	E	91.2	Very high	90.6	Very high	72 Å²	72	41.6 Å²	41.6	34%	0.336	21%	0.209	S	C	.	.	H	α-helix	trans	-58.3	-42.1	176.3	-168	-158.4	146.3	0	0	111.6	G998 I999 E1005 K1006	G998-E1002 PolarHBondContact O-N 3.07Å; I999-E1002 PolarHBondContact O-N 3.18Å; E1002-E1005 PolarHBondContact O-N 3.31Å; E1002-K1006 HydrophobicContact CG-CD 4.21Å; E1002-K1006 WeakPolarHBondContact O-CB 3.3Å; E1002-K1006 WeakPolarHBondContact O-CG 3.41Å; E1002-K1006 PolarHBondContact O-N 2.77Å; E1002-K1006 WeakPolarHBondContact OE1-CE 3.28Å; E1002-K1006 IonicContact OE1-NZ 2.67Å; E1002-K1006 PolarHBondContact OE1-NZ 3.38Å
1003	L	91.5	Very high	90.5	Very high	7 Å²	7	41.2 Å²	41.2	4%	0.037	21%	0.207	C	C	.	.	H	α-helix	trans	-63.3	-45.9	174.2	-68.7	170.7	0	0	0	111.7	L945 E947 I952 I999 I1000 S1001 E1005 K1006 R1007 M1011	L945-L1003 HydrophobicContact CD2-CD1 3.72Å; E947-L1003 HydrophobicContact CG-CD1 4.3Å; E947-L1003 HydrophobicContact CG-CD2 4.32Å; I952-L1003 HydrophobicContact CD1-CB 4.42Å; I952-L1003 HydrophobicContact CD1-CD1 3.81Å; I999-L1003 HydrophobicContact CG2-CD1 3.93Å; I999-L1003 HydrophobicContact CG2-CG 4.47Å; I999-L1003 WeakPolarHBondContact O-CB 3.47Å; I999-L1003 WeakPolarHBondContact O-CG 3.24Å; I999-L1003 PolarHBondContact O-N 3Å; I1000-L1003 PolarHBondContact O-N 2.98Å; S1001-L1003 VanDerWaalsContact C-N 3.3Å; S1001-L1003 PolarHBondContact O-N 3.31Å; L1003-E1005 VanDerWaalsContact C-N 3.29Å; L1003-E1005 PolarHBondContact O-N 3.44Å; L1003-K1006 PolarHBondContact O-N 3.11Å; L1003-R1007 WeakPolarHBondContact O-CG 3.5Å; L1003-R1007 PolarHBondContact O-N 3.25Å; L1003-M1011 HydrophobicContact CB-CE 4.27Å
1004	L	89.9	Confident	90.5	Very high	22 Å²	22	43.2 Å²	43.2	12%	0.115	22%	0.217	C	C	.	.	H	α-helix	trans	-65.6	-29.1	178.8	-73.8	168.8	0	0	0	113.3	K704 I1000 S1001 M1011	K704-L1004 PolarHBondContact NZ-O 2.94Å; I1000-L1004 HydrophobicContact CG2-CD1 3.83Å; I1000-L1004 HydrophobicContact CG2-CG 4.47Å; I1000-L1004 WeakPolarHBondContact O-CB 3.13Å; I1000-L1004 VanDerWaalsContact O-CG 3.24Å; I1000-L1004 WeakPolarHBondContact O-CG 3.35Å; I1000-L1004 PolarHBondContact O-N 2.87Å; S1001-L1004 PolarHBondContact O-N 2.87Å; S1001-L1004 VanDerWaalsContact O-N 3.12Å; L1004-M1011 HydrophobicContact CD2-CB 3.84Å; L1004-M1011 HydrophobicContact CD2-CE 4.25Å; L1004-M1011 WeakPolarHBondContact CD2-O 3.41Å
1005	E	88	Confident	90.5	Very high	164 Å²	164	38.3 Å²	38.3	77%	0.766	20%	0.196	S	C	*	.	H	α-helix	trans	-77.7	-38.5	172.8	-72.9	-175.4	-173.2	0	0	112.8	S1001 E1002 L1003 R1007	S1001-E1005 PolarHBondContact O-N 2.86Å; E1002-E1005 PolarHBondContact O-N 3.31Å; L1003-E1005 VanDerWaalsContact C-N 3.29Å; L1003-E1005 PolarHBondContact O-N 3.44Å; E1005-R1007 VanDerWaalsContact C-N 3.32Å; E1005-R1007 PolarHBondContact O-N 2.76Å
1006	K	85.9	Confident	90.5	Very high	114 Å²	114	37.2 Å²	37.2	50%	0.496	19%	0.191	S	C	.	.	H	α-helix	trans	-71.6	-16.9	-179.1	-80	-179.7	170.8	-180	0	114.8	E1002 L1003	E1002-K1006 HydrophobicContact CG-CD 4.21Å; E1002-K1006 WeakPolarHBondContact O-CB 3.3Å; E1002-K1006 WeakPolarHBondContact O-CG 3.41Å; E1002-K1006 PolarHBondContact O-N 2.77Å; E1002-K1006 WeakPolarHBondContact OE1-CE 3.28Å; E1002-K1006 IonicContact OE1-NZ 2.67Å; E1002-K1006 PolarHBondContact OE1-NZ 3.38Å; L1003-K1006 PolarHBondContact O-N 3.11Å
1007	R	89.2	Confident	90.5	Very high	40 Å²	40	40 Å²	40	15%	0.151	20%	0.201	C	C	.	.	S	Bend	trans	-93.9	146.2	178.2	-59.6	-45.9	177.3	-170.8	4.5	112.4	K704 L908 R913 E947 L1003 E1005 N1009 M1011	K704-R1007 PolarHBondContact NZ-O 3.47Å; L908-R1007 VanDerWaalsContact CD2-NE 3.34Å; L908-R1007 VanDerWaalsContact CD2-NH2 3.3Å; R913-R1007 VanDerWaalsContact NH2-NH2 3.14Å; E947-R1007 IonicContact OE1-CZ 3.81Å; E947-R1007 IonicContact OE1-NE 2.61Å; E947-R1007 IonicContact OE1-NH2 3.21Å; E947-R1007 PolarHBondContact OE1-NH2 3.21Å; E947-R1007 IonicContact OE2-CZ 3.94Å; E947-R1007 IonicContact OE2-NE 2.64Å; E947-R1007 PolarHBondContact OE2-NE 3.3Å; E947-R1007 IonicContact OE2-NH2 2.77Å; E947-R1007 PolarHBondContact OE2-NH2 2.99Å; L1003-R1007 WeakPolarHBondContact O-CG 3.5Å; L1003-R1007 PolarHBondContact O-N 3.25Å; E1005-R1007 VanDerWaalsContact C-N 3.32Å; E1005-R1007 PolarHBondContact O-N 2.76Å; R1007-N1009 CarbonylContact C-O 3.47Å; R1007-N1009 WeakPolarHBondContact CB-O 3.41Å; R1007-M1011 HydrophobicContact CG-CE 3.8Å; R1007-M1011 HydrophobicContact CG-SD 4.25Å
1008	P	82.9	Confident	90.5	Very high	33 Å²	33	38.5 Å²	38.5	21%	0.214	20%	0.197	C	C	.	.	S	Bend	trans	-66.9	-51.4	177.4	25.4	-32.3	0	0	0	111.3	K704 D749	K704-P1008 WeakPolarHBondContact CD-O 3.12Å; K704-P1008 PolarHBondContact NZ-O 3Å; D749-P1008 HydrophobicContact CB-CB 3.99Å; D749-P1008 WeakPolarHBondContact OD2-CB 3.5Å
1009	N	83.7	Confident	90.3	Very high	52 Å²	52	44.4 Å²	44.4	28%	0.278	21%	0.208	S	C	.	.	S	Bend	trans	-76.1	158.9	169.6	-61.9	-28	0	0	0	110.8	K704 R1007	K704-N1009 PolarHBondContact NZ-O 3.29Å; R1007-N1009 CarbonylContact C-O 3.47Å; R1007-N1009 WeakPolarHBondContact CB-O 3.41Å
1010	S	87.2	Confident	90.1	Very high	3 Å²	3	47.1 Å²	47.1	2%	0.021	22%	0.222	C	C	.	.			trans	-82.7	147.2	162.5	-178.3	0	0	0	0	110	H697 R700 D701	H697-S1010 PolarHBondContact CD2-OG 3.1Å; H697-S1010 PolarHBondContact NE2-O 2.91Å; R700-S1010 PolarHBondContact NH1-OG 3.41Å; D701-S1010 WeakPolarHBondContact OD1-CA 3.23Å; D701-S1010 VanDerWaalsContact OD1-CB 3.28Å; D701-S1010 WeakPolarHBondContact OD1-CB 3.4Å; D701-S1010 PolarHBondContact OD1-N 3.07Å
1011	M	91.4	Very high	89.7	Confident	3 Å²	3	55.8 Å²	55.8	2%	0.015	26%	0.259	C	S	.	.			trans	-105.8	140.9	175.9	-58.8	-177.5	-75.3	0	0	110.1	E947 G949 H950 I952 L1003 L1004 R1007	E947-M1011 HydrophobicContact CB-CE 4.17Å; E947-M1011 HydrophobicContact CB-SD 4Å; G949-M1011 VanDerWaalsContact CA-SD 3.51Å; H950-M1011 WeakPolarHBondContact O-CA 3.41Å; I952-M1011 HydrophobicContact CB-CB 4.26Å; I952-M1011 HydrophobicContact CB-CE 4.36Å; I952-M1011 HydrophobicContact CB-SD 4.37Å; I952-M1011 HydrophobicContact CD1-CE 4.37Å; I952-M1011 HydrophobicContact CG2-CB 3.94Å; L1003-M1011 HydrophobicContact CB-CE 4.27Å; L1004-M1011 HydrophobicContact CD2-CB 3.84Å; L1004-M1011 HydrophobicContact CD2-CE 4.25Å; L1004-M1011 WeakPolarHBondContact CD2-O 3.41Å; R1007-M1011 HydrophobicContact CG-CE 3.8Å; R1007-M1011 HydrophobicContact CG-SD 4.25Å
1012	K	89.7	Confident	89.5	Confident	34 Å²	34	55.7 Å²	55.7	15%	0.148	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	129	168.3	-170.9	167.6	-176.9	176.2	0	109.7	D694 I952 Q1014	D694-K1012 WeakPolarHBondContact OD1-CE 3.38Å; D694-K1012 IonicContact OD1-NZ 2.74Å; D694-K1012 PolarHBondContact OD1-NZ 3.23Å; D694-K1012 IonicContact OD2-NZ 3.28Å; D694-K1012 PolarHBondContact OD2-NZ 2.74Å; I952-K1012 PolarHBondContact N-O 3.21Å; K1012-Q1014 HydrophobicContact CG-CG 4.37Å
1013	L	91.2	Very high	89.5	Confident	21 Å²	21	52.7 Å²	52.7	11%	0.11	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	130.9	168.4	179.9	61.9	0	0	0	109.8	I952 L954 L985 I1000 I1015	I952-L1013 HydrophobicContact CG2-CB 4.15Å; I952-L1013 HydrophobicContact CG2-CD1 4.11Å; I952-L1013 CarbonylContact O-C 3.46Å; I952-L1013 VanDerWaalsContact O-CA 3.31Å; I952-L1013 WeakPolarHBondContact O-CA 3.25Å; L954-L1013 HydrophobicContact CB-CD1 4.35Å; L985-L1013 HydrophobicContact CG-CD2 4.31Å; I1000-L1013 HydrophobicContact CD1-CD1 4.4Å; L1013-I1015 HydrophobicContact CD2-CD1 4.12Å; L1013-I1015 HydrophobicContact CG-CD1 4.29Å; L1013-I1015 HydrophobicContact CG-CG1 4.48Å
1014	Q	92.4	Very high	89.5	Confident	43 Å²	43	58 Å²	58	20%	0.201	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	117.9	173.6	-60.6	-171.4	15.9	0	0	109.3	I952 F953 L954 K1012	I952-Q1014 PolarHBondContact O-N 2.72Å; F953-Q1014 CarbonylContact C-O 3.59Å; F953-Q1014 VanDerWaalsContact CA-O 3.25Å; F953-Q1014 WeakPolarHBondContact CA-O 3.39Å; F953-Q1014 HydrophobicContact CD1-CB 3.85Å; F953-Q1014 HydrophobicContact CE1-CB 4.01Å; F953-Q1014 HydrophobicContact CE1-CG 4.46Å; L954-Q1014 PolarHBondContact N-O 3.32Å; K1012-Q1014 HydrophobicContact CG-CG 4.37Å
1015	I	93.3	Very high	89.5	Confident	8 Å²	8	61.3 Å²	61.3	4%	0.041	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	127.5	176.4	-69	136.2	0	0	0	108.1	L954 L956 F969 H981 M982 L985 L1013	L954-I1015 HydrophobicContact CB-CG1 3.89Å; L954-I1015 HydrophobicContact CD2-CG1 4.19Å; L954-I1015 WeakPolarHBondContact O-CA 3.49Å; L956-I1015 HydrophobicContact CD1-CG2 3.74Å; L956-I1015 HydrophobicContact CG-CG2 4.22Å; F969-I1015 HydrophobicContact CE1-CD1 4.13Å; F969-I1015 HydrophobicContact CE1-CG1 4.46Å; F969-I1015 HydrophobicContact CE1-CG2 4.14Å; F969-I1015 HydrophobicContact CZ-CG2 3.96Å; H981-I1015 WeakPolarHBondContact O-CD1 3.48Å; M982-I1015 HydrophobicContact CE-CB 4.32Å; M982-I1015 HydrophobicContact CE-CG2 3.77Å; M982-I1015 PolarHBondContact O-N 2.88Å; M982-I1015 HydrophobicContact SD-CG2 4.48Å; L985-I1015 HydrophobicContact CD2-CD1 4.3Å; L1013-I1015 HydrophobicContact CD2-CD1 4.12Å; L1013-I1015 HydrophobicContact CG-CD1 4.29Å; L1013-I1015 HydrophobicContact CG-CG1 4.48Å
1016	V	93.4	Very high	89.8	Confident	1 Å²	1	53.5 Å²	53.5	1%	0.006	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	124.9	-167.5	173.1	0	0	0	0	108.9	F953 L954 W955 L956 P1022 E1023	F953-V1016 HydrophobicContact CD1-CG2 3.8Å; F953-V1016 HydrophobicContact CE1-CG2 4.47Å; L954-V1016 PolarHBondContact O-N 2.98Å; W955-V1016 CarbonylContact C-O 3.55Å; W955-V1016 WeakPolarHBondContact CA-O 3.31Å; L956-V1016 PolarHBondContact N-O 2.91Å; V1016-P1022 HydrophobicContact CG2-CB 4.26Å; V1016-E1023 HydrophobicContact CG1-CB 3.84Å; V1016-E1023 HydrophobicContact CG1-CG 4.17Å
1017	R	93.4	Very high	90.2	Very high	58 Å²	58	51.8 Å²	51.8	22%	0.219	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	142.6	168.2	-61.6	-175.1	-66.5	-139.5	-5.9	109.9	L956 L974 L977 R1019 D1020	L956-R1017 HydrophobicContact CD1-CG 4.41Å; L974-R1017 HydrophobicContact CD1-CG 4.15Å; L974-R1017 HydrophobicContact CD2-CG 4.31Å; L974-R1017 HydrophobicContact CG-CG 4.16Å; L974-R1017 PolarHBondContact O-NH1 3.44Å; L977-R1017 PolarHBondContact O-NH1 3.49Å; R1017-R1019 PolarHBondContact O-N 3.35Å; R1017-D1020 HydrophobicContact CB-CB 4.27Å; R1017-D1020 IonicContact CZ-OD2 3.83Å; R1017-D1020 IonicContact NE-OD2 3.06Å; R1017-D1020 PolarHBondContact NE-OD2 3.46Å; R1017-D1020 IonicContact NH2-OD2 2.8Å; R1017-D1020 PolarHBondContact NH2-OD2 2.73Å; R1017-D1020 PolarHBondContact O-N 3.03Å
1018	Q	93.8	Very high	90.4	Very high	20 Å²	20	52.9 Å²	52.9	9%	0.093	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.3	137.9	171.5	-165.2	-176.9	20.9	0	0	110.4	D940 W955 L956 Q958 D1020 E1023	D940-Q1018 PolarHBondContact OD1-NE2 3.22Å; D940-Q1018 PolarHBondContact OD1-OE1 3.3Å; W955-Q1018 HydrophobicContact CH2-CB 4.42Å; W955-Q1018 HydrophobicContact CH2-CG 4.26Å; W955-Q1018 HydrophobicContact CZ2-CB 3.78Å; W955-Q1018 HydrophobicContact CZ2-CG 3.53Å; L956-Q1018 PolarHBondContact O-N 3.26Å; Q958-Q1018 HydrophobicContact CB-CB 4.28Å; Q1018-D1020 PolarHBondContact O-N 3.18Å; Q1018-E1023 WeakPolarHBondContact CA-OE1 3.43Å; Q1018-E1023 WeakPolarHBondContact CG-OE1 2.99Å
1019	R	89.1	Confident	91	Very high	162 Å²	162	52.7 Å²	52.7	61%	0.611	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	68.4	-4.7	-177.3	-51.4	166.6	-161.5	-168.7	6.6	116.5	D940 R1017 E1023	D940-R1019 IonicContact OD2-NH2 3.66Å; D940-R1019 PolarHBondContact OD2-NH2 3.03Å; D940-R1019 VanDerWaalsContact OD2-NH2 3.07Å; R1017-R1019 PolarHBondContact O-N 3.35Å; R1019-E1023 PolarHBondContact N-OE2 3.22Å
1020	D	89.1	Confident	91.7	Very high	62 Å²	62	50.3 Å²	50.3	33%	0.332	23%	0.232	S	C	.	.	S	Bend	trans	-76.7	154.6	170.3	-90.8	-9.4	0	0	0	111.8	R1017 Q1018 P1022 E1023	R1017-D1020 HydrophobicContact CB-CB 4.27Å; R1017-D1020 IonicContact CZ-OD2 3.83Å; R1017-D1020 IonicContact NE-OD2 3.06Å; R1017-D1020 PolarHBondContact NE-OD2 3.46Å; R1017-D1020 IonicContact NH2-OD2 2.8Å; R1017-D1020 PolarHBondContact NH2-OD2 2.73Å; R1017-D1020 PolarHBondContact O-N 3.03Å; Q1018-D1020 PolarHBondContact O-N 3.18Å; D1020-P1022 VanDerWaalsContact C-CD 3.43Å; D1020-E1023 WeakPolarHBondContact O-CB 3.35Å; D1020-E1023 PolarHBondContact O-N 3.26Å
1021	K	85.9	Confident	92.1	Very high	192 Å²	192	50.6 Å²	50.6	84%	0.835	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.5	-39.8	-176.8	-62.6	-177.2	-179.1	178.7	0	115.4	E1023 M1024	K1021-E1023 PolarHBondContact O-N 3.36Å; K1021-M1024 PolarHBondContact O-N 3.04Å
1022	P	86.5	Confident	92.4	Very high	58 Å²	58	51 Å²	51	38%	0.377	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-16.7	177.3	-23.2	36.9	0	0	0	114.4	V1016 D1020 M1024 L1025	V1016-P1022 HydrophobicContact CG2-CB 4.26Å; D1020-P1022 VanDerWaalsContact C-CD 3.43Å; P1022-M1024 PolarHBondContact O-N 2.85Å; P1022-M1024 VanDerWaalsContact O-N 3.14Å; P1022-L1025 PolarHBondContact O-N 2.97Å
1023	E	92.4	Very high	92.7	Very high	9 Å²	9	50.7 Å²	50.7	4%	0.042	24%	0.235	C	C	.	.	H	α-helix	trans	-59.9	-24.9	177.4	-166.1	-174.7	-139.5	0	0	112.4	W955 V1016 Q1018 R1019 D1020 K1021 L1025 F1026 R1027	W955-E1023 PolarHBondContact NE1-OE1 2.8Å; V1016-E1023 HydrophobicContact CG1-CB 3.84Å; V1016-E1023 HydrophobicContact CG1-CG 4.17Å; Q1018-E1023 WeakPolarHBondContact CA-OE1 3.43Å; Q1018-E1023 WeakPolarHBondContact CG-OE1 2.99Å; R1019-E1023 PolarHBondContact N-OE2 3.22Å; D1020-E1023 WeakPolarHBondContact O-CB 3.35Å; D1020-E1023 PolarHBondContact O-N 3.26Å; K1021-E1023 PolarHBondContact O-N 3.36Å; E1023-L1025 VanDerWaalsContact C-N 3.3Å; E1023-L1025 PolarHBondContact O-N 3.18Å; E1023-F1026 HydrophobicContact CG-CD1 4.3Å; E1023-F1026 PolarHBondContact O-N 3.06Å; E1023-R1027 VanDerWaalsContact CD-NH2 3.35Å; E1023-R1027 HydrophobicContact CG-CG 4.2Å; E1023-R1027 WeakPolarHBondContact O-CG 3.41Å; E1023-R1027 PolarHBondContact O-N 3.48Å; E1023-R1027 IonicContact OE1-NE 3.65Å; E1023-R1027 IonicContact OE1-NH2 2.73Å; E1023-R1027 PolarHBondContact OE1-NH2 2.88Å; E1023-R1027 IonicContact OE2-CZ 2.75Å; E1023-R1027 IonicContact OE2-NE 3.7Å; E1023-R1027 PolarHBondContact OE2-NE 3.12Å; E1023-R1027 VanDerWaalsContact OE2-NE 3.15Å; E1023-R1027 IonicContact OE2-NH2 3.84Å; E1023-R1027 PolarHBondContact OE2-NH2 3.26Å
1024	M	91.4	Very high	93	Very high	120 Å²	120	56.5 Å²	56.5	59%	0.591	26%	0.26	S	S	*	.	H	α-helix	trans	-59.9	-38.5	174.6	-62.8	-175.1	69.1	0	0	112.6	K1021 P1022 Q1028 L1036	K1021-M1024 PolarHBondContact O-N 3.04Å; P1022-M1024 PolarHBondContact O-N 2.85Å; P1022-M1024 VanDerWaalsContact O-N 3.14Å; M1024-Q1028 PolarHBondContact O-N 2.93Å; M1024-Q1028 VanDerWaalsContact O-N 3.1Å; M1024-L1036 HydrophobicContact CB-CD1 4.41Å; M1024-L1036 WeakPolarHBondContact O-CD1 3.41Å
1025	L	90.3	Very high	92.8	Very high	90 Å²	90	55.5 Å²	55.5	47%	0.471	26%	0.26	S	S	.	.	H	α-helix	trans	-70.3	-36.6	177.7	-62.4	177.2	0	0	0	111.7	F953 P1022 E1023	F953-L1025 HydrophobicContact CE1-CB 4.26Å; F953-L1025 HydrophobicContact CZ-CB 4.27Å; P1022-L1025 PolarHBondContact O-N 2.97Å; E1023-L1025 VanDerWaalsContact C-N 3.3Å; E1023-L1025 PolarHBondContact O-N 3.18Å
1026	F	94.5	Very high	92.6	Very high	0 Å²	0	59 Å²	59	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-66.8	-47.5	174	168.6	-96.6	0	0	0	111.7	L914 L938 L946 F953 W955 E1023 Q1028 L1029 L1030	L914-F1026 HydrophobicContact CD1-CE2 4.36Å; L914-F1026 HydrophobicContact CD1-CZ 4.29Å; L938-F1026 HydrophobicContact CD1-CE1 3.75Å; L938-F1026 HydrophobicContact CD1-CZ 4.23Å; L938-F1026 HydrophobicContact CD2-CZ 4.17Å; L946-F1026 HydrophobicContact CB-CD2 4.2Å; L946-F1026 HydrophobicContact CB-CE2 3.76Å; L946-F1026 HydrophobicContact CD1-CD2 4.1Å; L946-F1026 HydrophobicContact CD1-CE2 3.79Å; L946-F1026 HydrophobicContact CD1-CZ 4.48Å; L946-F1026 HydrophobicContact CG-CE2 4.4Å; F953-F1026 HydrophobicContact CB-CD2 3.83Å; F953-F1026 HydrophobicContact CD1-CB 4.23Å; F953-F1026 HydrophobicContact CG-CD2 4.22Å; W955-F1026 HydrophobicContact CB-CD2 4.27Å; W955-F1026 HydrophobicContact CB-CE1 4.2Å; W955-F1026 HydrophobicContact CB-CE2 3.77Å; W955-F1026 HydrophobicContact CB-CZ 3.73Å; W955-F1026 AromaticContact CD1-CD1 3.45Å; W955-F1026 VanDerWaalsContact CD1-CD1 3.45Å; W955-F1026 AromaticContact CD1-CE1 3.29Å; W955-F1026 AromaticContact CD1-CZ 3.76Å; W955-F1026 HydrophobicContact CD2-CE1 4.4Å; W955-F1026 HydrophobicContact CD2-CZ 4.47Å; W955-F1026 HydrophobicContact CG-CD1 4.24Å; W955-F1026 AromaticContact CG-CE1 3.75Å; W955-F1026 HydrophobicContact CG-CE1 3.75Å; W955-F1026 HydrophobicContact CG-CE2 4.23Å; W955-F1026 AromaticContact CG-CZ 3.74Å; W955-F1026 HydrophobicContact CG-CZ 3.74Å; W955-F1026 AromaticContact NE1-CD1 3.96Å; W955-F1026 AromaticContact NE1-CE1 3.68Å; E1023-F1026 HydrophobicContact CG-CD1 4.3Å; E1023-F1026 PolarHBondContact O-N 3.06Å; F1026-Q1028 VanDerWaalsContact C-N 3.26Å; F1026-Q1028 PolarHBondContact O-N 2.64Å; F1026-L1029 WeakPolarHBondContact O-CB 3.32Å; F1026-L1029 PolarHBondContact O-N 2.98Å; F1026-L1030 HydrophobicContact CE1-CD1 4.19Å; F1026-L1030 HydrophobicContact CE1-CD2 4.47Å; F1026-L1030 HydrophobicContact CZ-CD2 4.39Å
1027	R	94	Very high	92.3	Very high	78 Å²	78	61.1 Å²	61.1	29%	0.294	29%	0.289	S	S	.	.	H	α-helix	trans	-62.9	-29.1	177.7	-73.3	-174.8	-162.3	-124.5	6.2	113.1	E935 E1023 L1029 L1030 L1036	E935-R1027 IonicContact OE2-CZ 3.98Å; E935-R1027 IonicContact OE2-NH1 3.06Å; E935-R1027 PolarHBondContact OE2-NH1 3.27Å; E1023-R1027 VanDerWaalsContact CD-NH2 3.35Å; E1023-R1027 HydrophobicContact CG-CG 4.2Å; E1023-R1027 WeakPolarHBondContact O-CG 3.41Å; E1023-R1027 PolarHBondContact O-N 3.48Å; E1023-R1027 IonicContact OE1-NE 3.65Å; E1023-R1027 IonicContact OE1-NH2 2.73Å; E1023-R1027 PolarHBondContact OE1-NH2 2.88Å; E1023-R1027 IonicContact OE2-CZ 2.75Å; E1023-R1027 IonicContact OE2-NE 3.7Å; E1023-R1027 PolarHBondContact OE2-NE 3.12Å; E1023-R1027 VanDerWaalsContact OE2-NE 3.15Å; E1023-R1027 IonicContact OE2-NH2 3.84Å; E1023-R1027 PolarHBondContact OE2-NH2 3.26Å; R1027-L1029 PolarHBondContact O-N 3.49Å; R1027-L1030 HydrophobicContact CB-CD1 4.44Å; R1027-L1030 HydrophobicContact CG-CD1 4.17Å; R1027-L1030 WeakPolarHBondContact O-CB 3.4Å; R1027-L1030 PolarHBondContact O-N 3.33Å; R1027-L1030 VanDerWaalsContact O-N 3.1Å; R1027-L1036 HydrophobicContact CB-CD1 4.12Å
1028	Q	93	Very high	91.9	Very high	64 Å²	64	60 Å²	60	30%	0.299	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-25.8	172.6	-168.7	179.4	2	0	0	112.7	M1024 F1026 L1036	M1024-Q1028 PolarHBondContact O-N 2.93Å; M1024-Q1028 VanDerWaalsContact O-N 3.1Å; F1026-Q1028 VanDerWaalsContact C-N 3.26Å; F1026-Q1028 PolarHBondContact O-N 2.64Å; Q1028-L1036 HydrophobicContact CB-CD1 4.3Å
1029	L	95.7	Very high	91.7	Very high	28 Å²	28	60.4 Å²	60.4	15%	0.147	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.4	2.9	180	-59.1	176.4	0	0	0	113.6	P912 L946 N948 F953 F1026 R1027 V1031	P912-L1029 HydrophobicContact CG-CB 4.21Å; P912-L1029 HydrophobicContact CG-CD2 4.47Å; L946-L1029 HydrophobicContact CD1-CB 3.98Å; L946-L1029 HydrophobicContact CD2-CB 3.8Å; L946-L1029 HydrophobicContact CD2-CD1 3.58Å; L946-L1029 HydrophobicContact CD2-CG 4.33Å; N948-L1029 WeakPolarHBondContact ND2-CD2 3.42Å; F953-L1029 HydrophobicContact CD2-CD1 3.99Å; F953-L1029 HydrophobicContact CE2-CD1 3.46Å; F953-L1029 VanDerWaalsContact CE2-CD1 3.46Å; F953-L1029 HydrophobicContact CZ-CD1 4.33Å; F1026-L1029 WeakPolarHBondContact O-CB 3.32Å; F1026-L1029 PolarHBondContact O-N 2.98Å; R1027-L1029 PolarHBondContact O-N 3.49Å; L1029-V1031 PolarHBondContact O-N 3.24Å
1030	L	97.2	Very high	92	Very high	3 Å²	3	54.3 Å²	54.3	2%	0.016	29%	0.289	C	S	.	.			trans	-82.6	74.7	169.1	-56.9	176.8	0	0	0	108.8	L914 C933 E935 L938 L946 F1026 R1027 E1032 D1033	L914-L1030 HydrophobicContact CD2-CD2 4.06Å; C933-L1030 CarbonylContact O-C 3.41Å; C933-L1030 WeakPolarHBondContact O-CA 3.32Å; E935-L1030 HydrophobicContact CB-CD1 3.94Å; L938-L1030 HydrophobicContact CD1-CD1 4.03Å; L946-L1030 HydrophobicContact CD1-CD2 4.09Å; F1026-L1030 HydrophobicContact CE1-CD1 4.19Å; F1026-L1030 HydrophobicContact CE1-CD2 4.47Å; F1026-L1030 HydrophobicContact CZ-CD2 4.39Å; R1027-L1030 HydrophobicContact CB-CD1 4.44Å; R1027-L1030 HydrophobicContact CG-CD1 4.17Å; R1027-L1030 WeakPolarHBondContact O-CB 3.4Å; R1027-L1030 PolarHBondContact O-N 3.33Å; R1027-L1030 VanDerWaalsContact O-N 3.1Å; L1030-E1032 PolarHBondContact O-N 3.39Å; L1030-E1032 VanDerWaalsContact O-N 3.08Å; L1030-D1033 VanDerWaalsContact CB-OD2 3.31Å; L1030-D1033 WeakPolarHBondContact CB-OD2 3.24Å; L1030-D1033 PolarHBondContact O-N 3.16Å; L1030-D1033 VanDerWaalsContact O-N 3.1Å
1031	V	96.9	Very high	92.3	Very high	9 Å²	9	52.3 Å²	52.3	6%	0.055	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-4.8	-164.6	-62.4	0	0	0	0	115.9	S873 K876 Y911 P912 C933 L1029	S873-V1031 WeakPolarHBondContact OG-CB 3.49Å; S873-V1031 WeakPolarHBondContact OG-CG1 3.42Å; K876-V1031 WeakPolarHBondContact CE-O 3.48Å; K876-V1031 VanDerWaalsContact NZ-C 3.27Å; K876-V1031 PolarHBondContact NZ-O 2.9Å; Y911-V1031 HydrophobicContact CD2-CG2 3.6Å; Y911-V1031 HydrophobicContact CE2-CG2 3.92Å; Y911-V1031 HydrophobicContact CG-CG2 4.14Å; P912-V1031 HydrophobicContact CG-CG1 4.42Å; C933-V1031 HydrophobicContact CB-CG2 3.79Å; C933-V1031 PolarHBondContact O-N 3.21Å; L1029-V1031 PolarHBondContact O-N 3.24Å
1032	E	97.4	Very high	92.8	Very high	11 Å²	11	43.3 Å²	43.3	5%	0.051	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.3	-21.5	170.4	-64.5	-166.9	-138	0	0	113.5	V869 Y911 R932 C933 L1030 S1041 Y1042	V869-E1032 HydrophobicContact CG2-CG 4.03Å; Y911-E1032 HydrophobicContact CE2-CG 4.05Å; Y911-E1032 PolarHBondContact OH-OE1 3.04Å; R932-E1032 WeakPolarHBondContact CB-OE1 3.4Å; R932-E1032 IonicContact CZ-OE2 2.73Å; R932-E1032 VanDerWaalsContact CZ-OE2 3.28Å; R932-E1032 IonicContact NE-OE1 2.68Å; R932-E1032 PolarHBondContact NE-OE1 3.36Å; R932-E1032 IonicContact NE-OE2 3.07Å; R932-E1032 PolarHBondContact NE-OE2 3.38Å; R932-E1032 IonicContact NH2-OE2 3.65Å; R932-E1032 PolarHBondContact NH2-OE2 3.12Å; C933-E1032 WeakPolarHBondContact O-CB 3.4Å; C933-E1032 PolarHBondContact O-N 3.37Å; L1030-E1032 PolarHBondContact O-N 3.39Å; L1030-E1032 VanDerWaalsContact O-N 3.08Å; E1032-S1041 CarbonylContact O-C 3.56Å; E1032-S1041 WeakPolarHBondContact O-CA 3.29Å; E1032-S1041 WeakPolarHBondContact O-CB 3.48Å; E1032-Y1042 PolarHBondContact O-N 3.23Å
1033	D	96.8	Very high	93.2	Very high	28 Å²	28	42.7 Å²	42.7	15%	0.15	23%	0.233	C	C	.	.	S	Bend	trans	-79.2	-178.9	-175.4	-60	-30.3	0	0	0	113.2	K876 S934 E935 L1030 S1041	K876-D1033 PolarHBondContact NZ-O 3.24Å; S934-D1033 WeakPolarHBondContact CA-OD1 3.27Å; S934-D1033 VanDerWaalsContact CA-OD2 3.29Å; S934-D1033 WeakPolarHBondContact CA-OD2 3.43Å; S934-D1033 VanDerWaalsContact CB-OD1 3.25Å; S934-D1033 WeakPolarHBondContact CB-OD1 3.48Å; S934-D1033 PolarHBondContact OG-OD1 3.47Å; E935-D1033 PolarHBondContact N-OD2 2.74Å; L1030-D1033 VanDerWaalsContact CB-OD2 3.31Å; L1030-D1033 WeakPolarHBondContact CB-OD2 3.24Å; L1030-D1033 PolarHBondContact O-N 3.16Å; L1030-D1033 VanDerWaalsContact O-N 3.1Å; D1033-S1041 WeakPolarHBondContact O-CA 3.5Å
1034	K	95.8	Very high	93.3	Very high	143 Å²	143	45.5 Å²	45.5	62%	0.622	25%	0.248	S	C	*	.			trans	-70.9	130.8	170.6	-69.3	-177.7	172.3	175.9	0	109.6	L1036 D1044	K1034-L1036 PolarHBondContact O-N 3.38Å; K1034-D1044 WeakPolarHBondContact CE-OD2 3.49Å; K1034-D1044 IonicContact NZ-OD2 2.72Å
1035	G	89.3	Confident	93.5	Very high	21 Å²	21	39.9 Å²	39.9	22%	0.216	22%	0.221	C	C	.	.			trans	-69.2	130.5	-176.8	0	0	0	0	0	111.8	H1037 G1038 G1039	G1035-H1037 VanDerWaalsContact C-N 3.27Å; G1035-H1037 PolarHBondContact O-N 2.92Å; G1035-G1038 WeakPolarHBondContact CA-O 3.48Å; G1035-G1038 CarbonylContact O-C 3.46Å; G1035-G1038 WeakPolarHBondContact O-CA 3.32Å; G1035-G1038 PolarHBondContact O-N 3.38Å; G1035-G1039 PolarHBondContact N-O 3.35Å
1036	L	88.6	Confident	93.7	Very high	81 Å²	81	36.2 Å²	36.2	42%	0.424	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.9	-43.4	-178.6	-63.3	178.6	0	0	0	112.6	M1024 R1027 Q1028 K1034 G1038	M1024-L1036 HydrophobicContact CB-CD1 4.41Å; M1024-L1036 WeakPolarHBondContact O-CD1 3.41Å; R1027-L1036 HydrophobicContact CB-CD1 4.12Å; Q1028-L1036 HydrophobicContact CB-CD1 4.3Å; K1034-L1036 PolarHBondContact O-N 3.38Å; L1036-G1038 VanDerWaalsContact C-N 3.26Å; L1036-G1038 PolarHBondContact O-N 2.84Å
1037	H	86.9	Confident	93.7	Very high	47 Å²	47	39.8 Å²	39.8	22%	0.218	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89	12.9	178.5	-56.6	-58.2	0	0	0	113.2	V881 E885 L886 G1035	V881-H1037 HydrophobicContact CG1-CB 4.26Å; V881-H1037 HydrophobicContact CG2-CB 4.19Å; V881-H1037 WeakPolarHBondContact CG2-O 3.24Å; E885-H1037 IonicContact OE2-CE1 3.85Å; E885-H1037 IonicContact OE2-CG 3.6Å; E885-H1037 IonicContact OE2-ND1 3.65Å; E885-H1037 PolarHBondContact OE2-ND1 3.49Å; L886-H1037 HydrophobicContact CD1-CB 4.5Å; G1035-H1037 VanDerWaalsContact C-N 3.27Å; G1035-H1037 PolarHBondContact O-N 2.92Å
1038	G	85.9	Confident	93.7	Very high	33 Å²	33	39.7 Å²	39.7	34%	0.34	23%	0.226	S	C	.	.	S	Bend	trans	108.6	162.5	-172.2	0	0	0	0	0	113.6	V881 G1035 L1036	V881-G1038 VanDerWaalsContact CG2-O 3.28Å; V881-G1038 WeakPolarHBondContact CG2-O 3.44Å; G1035-G1038 WeakPolarHBondContact CA-O 3.48Å; G1035-G1038 CarbonylContact O-C 3.46Å; G1035-G1038 WeakPolarHBondContact O-CA 3.32Å; G1035-G1038 PolarHBondContact O-N 3.38Å; L1036-G1038 VanDerWaalsContact C-N 3.26Å; L1036-G1038 PolarHBondContact O-N 2.84Å
1039	G	89.3	Confident	93.7	Very high	30 Å²	30	36.6 Å²	36.6	31%	0.309	21%	0.212	S	C	.	.			trans	114.6	151.1	-178.7	0	0	0	0	0	113.5	G1035	G1035-G1039 PolarHBondContact N-O 3.35Å
1040	A	94.5	Very high	93.7	Very high	33 Å²	33	36.9 Å²	36.9	27%	0.273	21%	0.212	S	C	.	.			trans	-73.2	152.8	-177.3	0	0	0	0	0	112.1	N872 D1044 F1045	N872-A1040 PolarHBondContact ND2-O 2.66Å; A1040-D1044 HydrophobicContact CB-CB 3.92Å; A1040-F1045 HydrophobicContact CB-CB 4.25Å
1041	S	96.7	Very high	93.5	Very high	20 Å²	20	43.5 Å²	43.5	14%	0.14	24%	0.237	C	C	.	.			trans	-67.9	163.9	159	70.3	0	0	0	0	110.1	E1032 D1033 M1043 D1044 F1045	E1032-S1041 CarbonylContact O-C 3.56Å; E1032-S1041 WeakPolarHBondContact O-CA 3.29Å; E1032-S1041 WeakPolarHBondContact O-CB 3.48Å; D1033-S1041 WeakPolarHBondContact O-CA 3.5Å; S1041-M1043 VanDerWaalsContact C-N 3.26Å; S1041-M1043 PolarHBondContact O-N 2.9Å; S1041-D1044 WeakPolarHBondContact CB-OD2 3.33Å; S1041-D1044 PolarHBondContact N-OD2 3.17Å; S1041-D1044 PolarHBondContact O-N 3.31Å; S1041-D1044 PolarHBondContact OG-N 3.21Å; S1041-D1044 VanDerWaalsContact OG-N 3.1Å; S1041-D1044 PolarHBondContact OG-OD2 3.4Å; S1041-F1045 WeakPolarHBondContact O-CB 3.4Å; S1041-F1045 PolarHBondContact O-N 3.07Å
1042	Y	96.3	Very high	93.4	Very high	3 Å²	3	44.3 Å²	44.3	1%	0.012	24%	0.24	C	C	.	.	H	α-helix	trans	-58	-40.6	175.1	175.6	-144.8	0	0	0	111.7	I289 P290 P868 V869 E1032 F1045 L1046	I289-Y1042 HydrophobicContact CB-CE1 4.46Å; I289-Y1042 HydrophobicContact CD1-CD1 3.8Å; I289-Y1042 HydrophobicContact CD1-CE1 3.82Å; I289-Y1042 HydrophobicContact CG1-CE1 4.37Å; P290-Y1042 WeakPolarHBondContact O-CE1 3.43Å; P290-Y1042 PolarHBondContact O-OH 3.24Å; P868-Y1042 HydrophobicContact CB-CE2 4.25Å; V869-Y1042 HydrophobicContact CB-CD1 4.11Å; V869-Y1042 HydrophobicContact CB-CD2 3.64Å; V869-Y1042 HydrophobicContact CB-CE1 4.04Å; V869-Y1042 HydrophobicContact CB-CE2 3.56Å; V869-Y1042 HydrophobicContact CB-CG 3.94Å; V869-Y1042 HydrophobicContact CG1-CE2 4.43Å; V869-Y1042 HydrophobicContact CG2-CD1 4.14Å; V869-Y1042 HydrophobicContact CG2-CD2 4.16Å; V869-Y1042 HydrophobicContact CG2-CE1 4.48Å; V869-Y1042 HydrophobicContact CG2-CE2 4.5Å; V869-Y1042 HydrophobicContact CG2-CG 4Å; E1032-Y1042 PolarHBondContact O-N 3.23Å; Y1042-F1045 PolarHBondContact O-N 2.85Å; Y1042-L1046 HydrophobicContact CD2-CD1 4.17Å; Y1042-L1046 HydrophobicContact CD2-CG 3.92Å; Y1042-L1046 HydrophobicContact CE1-CD1 4.23Å; Y1042-L1046 HydrophobicContact CE2-CD1 3.62Å; Y1042-L1046 HydrophobicContact CE2-CD2 3.68Å; Y1042-L1046 HydrophobicContact CE2-CG 3.48Å; Y1042-L1046 VanDerWaalsContact CE2-CG 3.48Å; Y1042-L1046 WeakPolarHBondContact O-CG 3.47Å; Y1042-L1046 PolarHBondContact O-N 3.38Å
1043	M	94.2	Very high	93.3	Very high	46 Å²	46	44 Å²	44	23%	0.227	24%	0.239	C	C	.	.	H	α-helix	trans	-64.8	-44.1	176	-172.8	68.4	80.3	0	0	112.3	L284 I289 S1041 F1045 L1046 C1047	L284-M1043 HydrophobicContact CB-CE 3.73Å; L284-M1043 HydrophobicContact CB-SD 4.08Å; L284-M1043 HydrophobicContact CD1-SD 4.37Å; I289-M1043 HydrophobicContact CD1-CE 3.7Å; I289-M1043 HydrophobicContact CD1-SD 4.34Å; I289-M1043 HydrophobicContact CG1-CE 4.23Å; I289-M1043 HydrophobicContact CG2-CE 4.17Å; I289-M1043 HydrophobicContact CG2-SD 4.36Å; S1041-M1043 VanDerWaalsContact C-N 3.26Å; S1041-M1043 PolarHBondContact O-N 2.9Å; M1043-F1045 VanDerWaalsContact C-N 3.29Å; M1043-F1045 PolarHBondContact O-N 3.09Å; M1043-L1046 PolarHBondContact O-N 3.43Å; M1043-C1047 PolarHBondContact O-N 3.35Å; M1043-C1047 VanDerWaalsContact O-N 3.13Å; M1043-C1047 PolarHBondContact O-SG 2.85Å; M1043-C1047 VanDerWaalsContact O-SG 3.33Å
1044	D	94.9	Very high	93.1	Very high	68 Å²	68	49.2 Å²	49.2	36%	0.364	26%	0.256	S	S	.	.	H	α-helix	trans	-61.1	-39.7	175.1	-64	-58.7	0	0	0	111.1	K1034 A1040 S1041 C1047 Y1048	K1034-D1044 WeakPolarHBondContact CE-OD2 3.49Å; K1034-D1044 IonicContact NZ-OD2 2.72Å; A1040-D1044 HydrophobicContact CB-CB 3.92Å; S1041-D1044 WeakPolarHBondContact CB-OD2 3.33Å; S1041-D1044 PolarHBondContact N-OD2 3.17Å; S1041-D1044 PolarHBondContact O-N 3.31Å; S1041-D1044 PolarHBondContact OG-N 3.21Å; S1041-D1044 VanDerWaalsContact OG-N 3.1Å; S1041-D1044 PolarHBondContact OG-OD2 3.4Å; D1044-C1047 PolarHBondContact O-N 3.32Å; D1044-Y1048 PolarHBondContact O-N 3.17Å
1045	F	96.1	Very high	92.9	Very high	1 Å²	1	47.6 Å²	47.6	0%	0.004	25%	0.251	C	S	.	.	H	α-helix	trans	-69.5	-41	179.4	-176.1	-116.1	0	0	0	112.9	V835 T838 P868 M871 N872 M875 A1040 S1041 Y1042 M1043 C1047 Y1048 V1049	V835-F1045 HydrophobicContact CG1-CE2 4.49Å; V835-F1045 HydrophobicContact CG2-CE2 4.06Å; T838-F1045 HydrophobicContact CG2-CZ 4.47Å; P868-F1045 HydrophobicContact CB-CD1 4.37Å; P868-F1045 HydrophobicContact CB-CE1 4.18Å; P868-F1045 VanDerWaalsContact O-CD1 3.26Å; P868-F1045 WeakPolarHBondContact O-CD1 3.41Å; P868-F1045 WeakPolarHBondContact O-CE1 3.46Å; M871-F1045 HydrophobicContact CB-CE1 4.21Å; M871-F1045 HydrophobicContact CB-CZ 4.46Å; M871-F1045 HydrophobicContact CG-CE1 4.33Å; M871-F1045 HydrophobicContact CG-CZ 4.08Å; N872-F1045 HydrophobicContact CB-CB 4.08Å; N872-F1045 HydrophobicContact CB-CD1 3.65Å; N872-F1045 HydrophobicContact CB-CE1 4.25Å; N872-F1045 HydrophobicContact CB-CG 3.89Å; M875-F1045 HydrophobicContact CE-CD2 3.69Å; M875-F1045 HydrophobicContact CE-CE2 3.29Å; M875-F1045 HydrophobicContact CE-CG 4.48Å; M875-F1045 HydrophobicContact CE-CZ 3.75Å; A1040-F1045 HydrophobicContact CB-CB 4.25Å; S1041-F1045 WeakPolarHBondContact O-CB 3.4Å; S1041-F1045 PolarHBondContact O-N 3.07Å; Y1042-F1045 PolarHBondContact O-N 2.85Å; M1043-F1045 VanDerWaalsContact C-N 3.29Å; M1043-F1045 PolarHBondContact O-N 3.09Å; F1045-C1047 VanDerWaalsContact C-N 3.33Å; F1045-C1047 PolarHBondContact O-N 2.75Å; F1045-Y1048 HydrophobicContact CD2-CD1 4.3Å; F1045-Y1048 HydrophobicContact CE2-CD1 4.5Å; F1045-Y1048 PolarHBondContact O-N 2.89Å; F1045-V1049 HydrophobicContact CD1-CG2 4.11Å; F1045-V1049 HydrophobicContact CD2-CG2 4.02Å; F1045-V1049 HydrophobicContact CE1-CG2 3.63Å; F1045-V1049 HydrophobicContact CE2-CG2 3.47Å; F1045-V1049 VanDerWaalsContact CE2-CG2 3.47Å; F1045-V1049 HydrophobicContact CG-CG2 4.32Å; F1045-V1049 HydrophobicContact CZ-CG2 3.29Å; F1045-V1049 WeakPolarHBondContact O-CG2 3.31Å; F1045-V1049 PolarHBondContact O-N 3.46Å
1046	L	94.8	Very high	93.1	Very high	13 Å²	13	50.4 Å²	50.4	7%	0.068	26%	0.26	C	S	.	.	H	α-helix	trans	-58.6	-44.5	172.6	-75.1	176.8	0	0	0	111.6	I289 L858 P868 Y1042 M1043 Y1048 V1049 H1050	I289-L1046 HydrophobicContact CB-CD1 4.1Å; I289-L1046 HydrophobicContact CD1-CD1 4.33Å; I289-L1046 HydrophobicContact CG2-CD1 3.76Å; L858-L1046 HydrophobicContact CD2-CD2 3.89Å; P868-L1046 HydrophobicContact CB-CD2 3.85Å; P868-L1046 HydrophobicContact CG-CD2 4.28Å; Y1042-L1046 HydrophobicContact CD2-CD1 4.17Å; Y1042-L1046 HydrophobicContact CD2-CG 3.92Å; Y1042-L1046 HydrophobicContact CE1-CD1 4.23Å; Y1042-L1046 HydrophobicContact CE2-CD1 3.62Å; Y1042-L1046 HydrophobicContact CE2-CD2 3.68Å; Y1042-L1046 HydrophobicContact CE2-CG 3.48Å; Y1042-L1046 VanDerWaalsContact CE2-CG 3.48Å; Y1042-L1046 WeakPolarHBondContact O-CG 3.47Å; Y1042-L1046 PolarHBondContact O-N 3.38Å; M1043-L1046 PolarHBondContact O-N 3.43Å; L1046-Y1048 VanDerWaalsContact C-N 3.32Å; L1046-Y1048 PolarHBondContact O-N 2.84Å; L1046-V1049 PolarHBondContact O-N 3.11Å; L1046-H1050 VanDerWaalsContact O-CB 3.3Å; L1046-H1050 WeakPolarHBondContact O-CB 3.5Å; L1046-H1050 PolarHBondContact O-N 3.14Å
1047	C	93.5	Very high	93	Very high	76 Å²	76	49.8 Å²	49.8	51%	0.514	26%	0.257	S	S	.	.	H	α-helix	trans	-60.1	-40.8	175.5	-71.8	0	0	0	0	112.3	M1043 D1044 F1045 R1051	M1043-C1047 PolarHBondContact O-N 3.35Å; M1043-C1047 VanDerWaalsContact O-N 3.13Å; M1043-C1047 PolarHBondContact O-SG 2.85Å; M1043-C1047 VanDerWaalsContact O-SG 3.33Å; D1044-C1047 PolarHBondContact O-N 3.32Å; F1045-C1047 VanDerWaalsContact C-N 3.33Å; F1045-C1047 PolarHBondContact O-N 2.75Å; C1047-R1051 PolarHBondContact O-N 2.85Å
1048	Y	93.9	Very high	92.5	Very high	75 Å²	75	55.7 Å²	55.7	29%	0.294	30%	0.297	S	S	.	.	H	α-helix	trans	-66.5	-53.7	176	178.6	-157.4	0	0	0	111.6	V835 D1044 F1045 L1046 H1050 R1051 E1052	V835-Y1048 HydrophobicContact CG1-CD1 4.3Å; V835-Y1048 HydrophobicContact CG1-CE1 3.69Å; V835-Y1048 HydrophobicContact CG1-CE2 4.38Å; V835-Y1048 HydrophobicContact CG2-CE1 4.18Å; D1044-Y1048 PolarHBondContact O-N 3.17Å; F1045-Y1048 HydrophobicContact CD2-CD1 4.3Å; F1045-Y1048 HydrophobicContact CE2-CD1 4.5Å; F1045-Y1048 PolarHBondContact O-N 2.89Å; L1046-Y1048 VanDerWaalsContact C-N 3.32Å; L1046-Y1048 PolarHBondContact O-N 2.84Å; Y1048-H1050 VanDerWaalsContact C-N 3.29Å; Y1048-H1050 PolarHBondContact O-N 3.26Å; Y1048-R1051 WeakPolarHBondContact O-CA 3.46Å; Y1048-R1051 WeakPolarHBondContact O-CB 3.49Å; Y1048-R1051 PolarHBondContact O-N 2.89Å; Y1048-E1052 HydrophobicContact CD2-CG 3.74Å; Y1048-E1052 WeakPolarHBondContact CD2-OE1 3.26Å; Y1048-E1052 HydrophobicContact CE2-CG 3.47Å; Y1048-E1052 VanDerWaalsContact CE2-CG 3.47Å; Y1048-E1052 VanDerWaalsContact CE2-OE1 3.25Å; Y1048-E1052 WeakPolarHBondContact CE2-OE1 3.4Å; Y1048-E1052 PolarHBondContact O-N 2.81Å
1049	V	94.1	Very high	92.8	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-58.1	-39.8	179.1	169.8	0	0	0	0	111.6	T838 L842 F1045 L1046 R1051 E1052 I1053	T838-V1049 HydrophobicContact CG2-CG1 4.3Å; T838-V1049 HydrophobicContact CG2-CG2 4.29Å; L842-V1049 HydrophobicContact CD1-CG1 4Å; F1045-V1049 HydrophobicContact CD1-CG2 4.11Å; F1045-V1049 HydrophobicContact CD2-CG2 4.02Å; F1045-V1049 HydrophobicContact CE1-CG2 3.63Å; F1045-V1049 HydrophobicContact CE2-CG2 3.47Å; F1045-V1049 VanDerWaalsContact CE2-CG2 3.47Å; F1045-V1049 HydrophobicContact CG-CG2 4.32Å; F1045-V1049 HydrophobicContact CZ-CG2 3.29Å; F1045-V1049 WeakPolarHBondContact O-CG2 3.31Å; F1045-V1049 PolarHBondContact O-N 3.46Å; L1046-V1049 PolarHBondContact O-N 3.11Å; V1049-R1051 VanDerWaalsContact C-N 3.33Å; V1049-R1051 PolarHBondContact O-N 3.19Å; V1049-E1052 PolarHBondContact O-N 3.39Å; V1049-I1053 HydrophobicContact CG1-CD1 3.67Å; V1049-I1053 HydrophobicContact CG1-CG1 4.28Å; V1049-I1053 WeakPolarHBondContact O-CB 3.29Å; V1049-I1053 WeakPolarHBondContact O-CD1 3.11Å; V1049-I1053 VanDerWaalsContact O-CG1 3.23Å; V1049-I1053 WeakPolarHBondContact O-CG1 3.27Å; V1049-I1053 PolarHBondContact O-N 3.19Å
1050	H	94.2	Very high	93	Very high	33 Å²	33	58.3 Å²	58.3	15%	0.153	29%	0.294	C	S	.	.	H	α-helix	trans	-64.6	-34.8	175.4	-174.3	-154.8	0	0	0	112.8	A855 S856 Q857 L858 L1046 Y1048 R1054	A855-H1050 PolarHBondContact O-NE2 3.47Å; S856-H1050 PolarHBondContact O-CE1 3.15Å; Q857-H1050 PolarHBondContact O-NE2 3.05Å; L858-H1050 HydrophobicContact CD1-CB 4.32Å; L1046-H1050 VanDerWaalsContact O-CB 3.3Å; L1046-H1050 WeakPolarHBondContact O-CB 3.5Å; L1046-H1050 PolarHBondContact O-N 3.14Å; Y1048-H1050 VanDerWaalsContact C-N 3.29Å; Y1048-H1050 PolarHBondContact O-N 3.26Å; H1050-R1054 WeakPolarHBondContact O-CB 3.17Å; H1050-R1054 VanDerWaalsContact O-CG 3.31Å; H1050-R1054 WeakPolarHBondContact O-CG 3.48Å; H1050-R1054 PolarHBondContact O-N 3.06Å
1051	R	94.4	Very high	92.9	Very high	143 Å²	143	59.7 Å²	59.7	54%	0.54	30%	0.295	S	S	.	.	H	α-helix	trans	-67.1	-41	174.1	-169.9	-173	68.1	-153.5	-0.4	112.1	C1047 Y1048 V1049 R1054 Q1055	C1047-R1051 PolarHBondContact O-N 2.85Å; Y1048-R1051 WeakPolarHBondContact O-CA 3.46Å; Y1048-R1051 WeakPolarHBondContact O-CB 3.49Å; Y1048-R1051 PolarHBondContact O-N 2.89Å; V1049-R1051 VanDerWaalsContact C-N 3.33Å; V1049-R1051 PolarHBondContact O-N 3.19Å; R1051-R1054 PolarHBondContact O-N 3.29Å; R1051-Q1055 PolarHBondContact O-N 3.49Å; R1051-Q1055 PolarHBondContact O-NE2 2.97Å
1052	E	94.8	Very high	92.7	Very high	25 Å²	25	62 Å²	62	12%	0.117	30%	0.304	C	S	.	.	H	α-helix	trans	-72	-39.8	177.3	-52.3	-41.5	124	0	0	111.4	A839 Y1048 V1049 R1054 Q1055 L1056	A839-E1052 HydrophobicContact CB-CB 3.72Å; Y1048-E1052 HydrophobicContact CD2-CG 3.74Å; Y1048-E1052 WeakPolarHBondContact CD2-OE1 3.26Å; Y1048-E1052 HydrophobicContact CE2-CG 3.47Å; Y1048-E1052 VanDerWaalsContact CE2-CG 3.47Å; Y1048-E1052 VanDerWaalsContact CE2-OE1 3.25Å; Y1048-E1052 WeakPolarHBondContact CE2-OE1 3.4Å; Y1048-E1052 PolarHBondContact O-N 2.81Å; V1049-E1052 PolarHBondContact O-N 3.39Å; E1052-R1054 VanDerWaalsContact C-N 3.27Å; E1052-R1054 PolarHBondContact O-N 3.19Å; E1052-Q1055 PolarHBondContact O-N 3.22Å; E1052-Q1055 VanDerWaalsContact O-N 3.14Å; E1052-Q1055 PolarHBondContact OE1-NE2 3.32Å; E1052-Q1055 PolarHBondContact OE2-NE2 3.25Å; E1052-L1056 WeakPolarHBondContact O-CG 3.44Å; E1052-L1056 PolarHBondContact O-N 3.01Å; E1052-L1056 VanDerWaalsContact O-N 3.11Å
1053	I	93.9	Very high	92.5	Very high	5 Å²	5	65.7 Å²	65.7	3%	0.026	32%	0.323	C	S	.	.	H	α-helix	trans	-53.9	-44.9	169.5	-74	164.5	0	0	0	110.8	A839 L842 A843 L858 V1049 Q1055 L1056 L1057	A839-I1053 HydrophobicContact CB-CG1 4.22Å; A839-I1053 WeakPolarHBondContact O-CG1 3.45Å; L842-I1053 HydrophobicContact CB-CD1 3.55Å; L842-I1053 HydrophobicContact CB-CG1 4.15Å; L842-I1053 HydrophobicContact CD1-CD1 4.18Å; A843-I1053 HydrophobicContact CB-CB 4.42Å; A843-I1053 HydrophobicContact CB-CG1 4.3Å; A843-I1053 HydrophobicContact CB-CG2 4.1Å; L858-I1053 HydrophobicContact CD1-CD1 3.56Å; V1049-I1053 HydrophobicContact CG1-CD1 3.67Å; V1049-I1053 HydrophobicContact CG1-CG1 4.28Å; V1049-I1053 WeakPolarHBondContact O-CB 3.29Å; V1049-I1053 WeakPolarHBondContact O-CD1 3.11Å; V1049-I1053 VanDerWaalsContact O-CG1 3.23Å; V1049-I1053 WeakPolarHBondContact O-CG1 3.27Å; V1049-I1053 PolarHBondContact O-N 3.19Å; I1053-Q1055 VanDerWaalsContact C-N 3.35Å; I1053-Q1055 PolarHBondContact O-N 3.3Å; I1053-L1056 PolarHBondContact O-N 2.9Å; I1053-L1057 HydrophobicContact CG2-CD1 3.7Å; I1053-L1057 HydrophobicContact CG2-CG 4.4Å; I1053-L1057 VanDerWaalsContact O-CG 3.29Å; I1053-L1057 WeakPolarHBondContact O-CG 3.37Å; I1053-L1057 PolarHBondContact O-N 2.89Å
1054	R	92.6	Very high	92.3	Very high	138 Å²	138	67 Å²	67	52%	0.521	33%	0.329	S	S	.	.	H	α-helix	trans	-64.8	-36.3	179.6	-77.7	178.9	63.3	-172.4	-2	112.9	H1050 R1051 E1052 L1056 L1057 T1058	H1050-R1054 WeakPolarHBondContact O-CB 3.17Å; H1050-R1054 VanDerWaalsContact O-CG 3.31Å; H1050-R1054 WeakPolarHBondContact O-CG 3.48Å; H1050-R1054 PolarHBondContact O-N 3.06Å; R1051-R1054 PolarHBondContact O-N 3.29Å; E1052-R1054 VanDerWaalsContact C-N 3.27Å; E1052-R1054 PolarHBondContact O-N 3.19Å; R1054-L1056 VanDerWaalsContact C-N 3.3Å; R1054-L1056 PolarHBondContact O-N 3.34Å; R1054-L1057 PolarHBondContact O-N 2.92Å; R1054-T1058 PolarHBondContact O-N 3.24Å; R1054-T1058 PolarHBondContact O-OG1 2.64Å
1055	Q	92.4	Very high	92.2	Very high	108 Å²	108	66.9 Å²	66.9	51%	0.505	33%	0.326	S	S	.	.	H	α-helix	trans	-68.4	-26.2	174.1	-73.6	168.6	86.6	0	0	113.2	R1051 E1052 I1053 T1058	R1051-Q1055 PolarHBondContact O-N 3.49Å; R1051-Q1055 PolarHBondContact O-NE2 2.97Å; E1052-Q1055 PolarHBondContact O-N 3.22Å; E1052-Q1055 VanDerWaalsContact O-N 3.14Å; E1052-Q1055 PolarHBondContact OE1-NE2 3.32Å; E1052-Q1055 PolarHBondContact OE2-NE2 3.25Å; I1053-Q1055 VanDerWaalsContact C-N 3.35Å; I1053-Q1055 PolarHBondContact O-N 3.3Å; Q1055-T1058 PolarHBondContact O-OG1 3.31Å
1056	L	92.2	Very high	91.9	Very high	80 Å²	80	72 Å²	72	42%	0.419	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.8	-8.1	175	-65.6	174.5	0	0	0	113.8	A839 H840 A843 E1052 I1053 R1054	A839-L1056 HydrophobicContact CB-CD1 4.22Å; H840-L1056 HydrophobicContact CB-CD1 4.2Å; A843-L1056 HydrophobicContact CB-CB 3.9Å; A843-L1056 HydrophobicContact CB-CD1 4.15Å; E1052-L1056 WeakPolarHBondContact O-CG 3.44Å; E1052-L1056 PolarHBondContact O-N 3.01Å; E1052-L1056 VanDerWaalsContact O-N 3.11Å; I1053-L1056 PolarHBondContact O-N 2.9Å; R1054-L1056 VanDerWaalsContact C-N 3.3Å; R1054-L1056 PolarHBondContact O-N 3.34Å
1057	L	87.1	Confident	91.6	Very high	68 Å²	68	76.9 Å²	76.9	36%	0.356	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.6	-13.3	179.4	-69.6	173.6	0	0	0	113.5	A843 R846 K847 I1053 R1054	A843-L1057 HydrophobicContact CB-CG 4.45Å; R846-L1057 HydrophobicContact CB-CD1 4.33Å; R846-L1057 HydrophobicContact CG-CD1 3.8Å; K847-L1057 HydrophobicContact CB-CD2 3.74Å; K847-L1057 HydrophobicContact CD-CD2 4.42Å; K847-L1057 HydrophobicContact CG-CD2 4.35Å; I1053-L1057 HydrophobicContact CG2-CD1 3.7Å; I1053-L1057 HydrophobicContact CG2-CG 4.4Å; I1053-L1057 VanDerWaalsContact O-CG 3.29Å; I1053-L1057 WeakPolarHBondContact O-CG 3.37Å; I1053-L1057 PolarHBondContact O-N 2.89Å; R1054-L1057 PolarHBondContact O-N 2.92Å
1058	T	76.2	Confident	91.4	Very high	172 Å²	172	77 Å²	77	100%	1.055	36%	0.362	S	S	*	.			trans	-95.3	0	172.9	52.1	0	0	0	0	111.5	R1054 Q1055	R1054-T1058 PolarHBondContact O-N 3.24Å; R1054-T1058 PolarHBondContact O-OG1 2.64Å; Q1055-T1058 PolarHBondContact O-OG1 3.31Å

Retrieved 1,058 of 1,058 residues in 2485.5 ms (Link to these results)

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