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Receptor tyrosine-protein kinase erbB-2

In the nucleus is involved in transcriptional regulation. Associates with the 5'-TCAAATTC-3' sequence in the PTGS2/COX-2 promoter and activates its transcription. Implicated in transcriptional activation of CDKN1A; the function involves STAT3 and SRC. Involved in the transcription of rRNA genes by RNA Pol I and enhances protein synthesis and cell growth.

AlphaFold DB (P04626), UniProt , Accession X5DNK3, Species HUMAN (Homo sapiens, Human), Gene ERBB2, Length 1,255 aa.

						>X5DNK3_HUMAN|X5DNK3|ERBB2
MELAALCRWGLLLALLPPGAASTQVCTGTDMKLRLPASPETHLDMLRHLYQGCQVVQGNLELTYLPTNASLSFLQDIQEVQGYVLIAHNQVRQVPLQRLRIVRGTQLFEDNYALAVLDNGDPLNNTTPVTGASPGGLRELQLRSLTEILKGGVLIQRNPQLCYQDTILWKDIFHKNNQLALTLIDTNRSRACHPCSPMCKGSRCWGESSEDCQSLTRTVCAGGCARCKGPLPTDCCHEQCAAGCTGPKHSDCLACLHFNHSGICELHCPALVTYNTDTFESMPNPEGRYTFGASCVTACPYNYLSTDVGSCTLVCPLHNQEVTAEDGTQRCEKCSKPCARVCYGLGMEHLREVRAVTSANIQEFAGCKKIFGSLAFLPESFDGDPASNTAPLQPEQLQVFETLEEITGYLYISAWPDSLPDLSVFQNLQVIRGRILHNGAYSLTLQGLGISWLGLRSLRELGSGLALIHHNTHLCFVHTVPWDQLFRNPHQALLHTANRPEDECVGEGLACHQLCARGHCWGPGPTQCVNCSQFLRGQECVEECRVLQGLPREYVNARHCLPCHPECQPQNGSVTCFGPEADQCVACAHYKDPPFCVARCPSGVKPDLSYMPIWKFPDEEGACQPCPINCTHSCVDLDDKGCPAEQRASPLTSIISAVVGILLVVVLGVVFGILIKRRQQKIRKYTMRRLLQETELVEPLTPSGAMPNQAQMRILKETELRKVKVLGSGAFGTVYKGIWIPDGENVKIPVAIKVLRENTSPKANKEILDEAYVMAGVGSPYVSRLLGICLTSTVQLVTQLMPYGCLLDHVRENRGRLGSQDLLNWCMQIAKGMSYLEDVRLVHRDLAARNVLVKSPNHVKITDFGLARLLDIDETEYHADGGKVPIKWMALESILRRRFTHQSDVWSYGVTVWELMTFGAKPYDGIPAREIPDLLEKGERLPQPPICTIDVYMIMVKCWMIDSECRPRFRELVSEFSRMARDPQRFVVIQNEDLGPASPLDSTFYRSLLEDDDMGDLVDAEEYLVPQQGFFCPDPAPGAGGMVHHRHRSSSTRSGGGDLTLGLEPSEEEAPRSPLAPSEGAGSDVFDGDLGMGAAKGLQSLPTHDPSPLQRYSEDPTVPLPSETDGYVAPLTCSPQPEYVNQPDVRPQPPSPREGPLPAARPAGATLERPKTLSPGKNGVVKDVFAFGGAVENPEYLTPQGGAAPQPHPPPAFSPAFDNLYYWDQDPPERGAPPSTFKGTPTAENPEYLGLDVPV
					

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(Predicted Aligned Error values between residue pairs)

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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	42	Very low	44.6	Very low	219 Å²	219	127.4 Å²	127.4	100%	1.079	66%	0.662	S	S	*	*				0	-30.1	0	-76.4	-171.4	-73.1	0	0	112.6	L3 A4	M1-L3 PolarHBondContact O-N 3.44Å; M1-A4 WeakPolarHBondContact O-CB 3.36Å; M1-A4 PolarHBondContact O-N 2.74Å
2	E	41.6	Very low	44.3	Very low	161 Å²	161	126.8 Å²	126.8	75%	0.752	66%	0.66	S	S	*	*	H	α-helix	trans	-58.5	-35.6	-172.2	-65.4	154.7	135.9	0	0	115.3	A4 A5 L6	E2-A4 PolarHBondContact O-N 2.97Å; E2-A4 VanDerWaalsContact O-N 3.16Å; E2-A5 WeakPolarHBondContact O-CA 3.46Å; E2-A5 WeakPolarHBondContact O-CB 3.47Å; E2-A5 PolarHBondContact O-N 3.25Å; E2-L6 PolarHBondContact O-N 3.06Å
3	L	42.6	Very low	44	Very low	145 Å²	145	126.3 Å²	126.3	76%	0.759	66%	0.657	S	S	*	*	H	α-helix	trans	-55.9	-32.3	173.5	-76.9	111.5	0	0	0	113.4	M1 A5 C7	M1-L3 PolarHBondContact O-N 3.44Å; L3-A5 VanDerWaalsContact C-N 3.34Å; L3-C7 PolarHBondContact O-N 3.16Å; L3-C7 PolarHBondContact O-SG 3.23Å; L3-C7 VanDerWaalsContact O-SG 3.39Å
4	A	47.4	Very low	43.8	Very low	65 Å²	65	123.1 Å²	123.1	54%	0.537	66%	0.659	S	S	.	*	H	α-helix	trans	-76.7	-21.1	176.3	0	0	0	0	0	113.1	M1 E2 R8	M1-A4 WeakPolarHBondContact O-CB 3.36Å; M1-A4 PolarHBondContact O-N 2.74Å; E2-A4 PolarHBondContact O-N 2.97Å; E2-A4 VanDerWaalsContact O-N 3.16Å; A4-R8 WeakPolarHBondContact O-CG 3.31Å
5	A	44.7	Very low	43.6	Very low	51 Å²	51	124.3 Å²	124.3	42%	0.421	66%	0.664	S	S	.	*	H	α-helix	trans	-76.4	-45.3	170.4	0	0	0	0	0	110.5	E2 L3 C7 R8 W9	E2-A5 WeakPolarHBondContact O-CA 3.46Å; E2-A5 WeakPolarHBondContact O-CB 3.47Å; E2-A5 PolarHBondContact O-N 3.25Å; L3-A5 VanDerWaalsContact C-N 3.34Å; A5-C7 PolarHBondContact O-N 3.44Å; A5-R8 PolarHBondContact O-N 3.18Å; A5-W9 VanDerWaalsContact O-CD1 3.29Å; A5-W9 PolarHBondContact O-N 3.42Å
6	L	45.9	Very low	42.7	Very low	124 Å²	124	123.9 Å²	123.9	65%	0.649	66%	0.661	S	S	*	*	H	α-helix	trans	-55.5	-47.3	176.6	-75.4	162.2	0	0	0	112.1	E2 R8 W9 G10	E2-L6 PolarHBondContact O-N 3.06Å; L6-R8 VanDerWaalsContact C-N 3.29Å; L6-R8 PolarHBondContact O-N 2.86Å; L6-W9 PolarHBondContact O-N 2.72Å; L6-G10 PolarHBondContact O-N 3.39Å
7	C	47.9	Very low	42	Very low	85 Å²	85	122.8 Å²	122.8	57%	0.574	66%	0.662	S	S	*	*	H	α-helix	trans	-62	-32.8	175.6	-65.6	0	0	0	0	113.5	L3 A5 L11	L3-C7 PolarHBondContact O-N 3.16Å; L3-C7 PolarHBondContact O-SG 3.23Å; L3-C7 VanDerWaalsContact O-SG 3.39Å; A5-C7 PolarHBondContact O-N 3.44Å; C7-L11 VanDerWaalsContact O-CD1 3.31Å; C7-L11 WeakPolarHBondContact O-CD1 3.42Å; C7-L11 PolarHBondContact O-N 3.13Å; C7-L11 VanDerWaalsContact O-N 3.12Å
8	R	43.2	Very low	41.3	Very low	195 Å²	195	122.3 Å²	122.3	74%	0.736	67%	0.666	S	S	*	*	H	α-helix	trans	-74.1	-32.7	177.1	-77.2	-177.4	173.6	-148.8	-2.9	113	A4 A5 L6 L12	A4-R8 WeakPolarHBondContact O-CG 3.31Å; A5-R8 PolarHBondContact O-N 3.18Å; L6-R8 VanDerWaalsContact C-N 3.29Å; L6-R8 PolarHBondContact O-N 2.86Å; R8-L12 PolarHBondContact O-N 2.94Å
9	W	46.5	Very low	40.5	Very low	194 Å²	194	119.8 Å²	119.8	74%	0.735	67%	0.672	S	S	*	*	H	α-helix	trans	-72	-37.7	172.3	-77.7	58.2	0	0	0	111.3	A5 L6 L11 L12 L13	A5-W9 VanDerWaalsContact O-CD1 3.29Å; A5-W9 PolarHBondContact O-N 3.42Å; L6-W9 PolarHBondContact O-N 2.72Å; W9-L11 PolarHBondContact O-N 3.5Å; W9-L12 PolarHBondContact O-N 2.84Å; W9-L13 PolarHBondContact O-N 3.05Å
10	G	44.8	Very low	39.9	Very low	38 Å²	38	119 Å²	119	39%	0.392	68%	0.681	S	S	.	*	H	α-helix	trans	-58.2	-45.6	172	0	0	0	0	0	113.5	L6 L12 L13 A14	L6-G10 PolarHBondContact O-N 3.39Å; G10-L12 VanDerWaalsContact C-N 3.31Å; G10-L12 PolarHBondContact O-N 3.26Å; G10-L13 PolarHBondContact O-N 3.41Å; G10-A14 PolarHBondContact O-N 3.13Å; G10-A14 VanDerWaalsContact O-N 3.14Å
11	L	43.9	Very low	39.5	Very low	124 Å²	124	117.4 Å²	117.4	65%	0.649	68%	0.682	S	S	*	*	H	α-helix	trans	-67.9	-26.6	175.8	-95.1	81.7	0	0	0	113.9	C7 W9 L15	C7-L11 VanDerWaalsContact O-CD1 3.31Å; C7-L11 WeakPolarHBondContact O-CD1 3.42Å; C7-L11 PolarHBondContact O-N 3.13Å; C7-L11 VanDerWaalsContact O-N 3.12Å; W9-L11 PolarHBondContact O-N 3.5Å; L11-L15 WeakPolarHBondContact O-CG 3.21Å
12	L	40.7	Very low	39.8	Very low	121 Å²	121	111.9 Å²	111.9	63%	0.634	67%	0.665	S	S	*	*	H	α-helix	trans	-76.8	-35.4	175.9	-94.1	157.7	0	0	0	112.4	R8 W9 G10 A14 L15	R8-L12 PolarHBondContact O-N 2.94Å; W9-L12 PolarHBondContact O-N 2.84Å; G10-L12 VanDerWaalsContact C-N 3.31Å; G10-L12 PolarHBondContact O-N 3.26Å; L12-A14 VanDerWaalsContact C-N 3.32Å; L12-L15 PolarHBondContact O-N 3.29Å
13	L	40.5	Very low	40.7	Very low	120 Å²	120	107.4 Å²	107.4	63%	0.628	65%	0.649	S	S	*	*	H	α-helix	trans	-65.3	-36.2	170.9	-76.3	161.3	0	0	0	111.9	W9 G10 L15 L16	W9-L13 PolarHBondContact O-N 3.05Å; G10-L13 PolarHBondContact O-N 3.41Å; L13-L15 PolarHBondContact O-N 3.22Å; L13-L16 HydrophobicContact CD2-CD1 4.16Å; L13-L16 PolarHBondContact O-N 2.8Å
14	A	42.1	Very low	42.4	Very low	82 Å²	82	105.3 Å²	105.3	68%	0.678	64%	0.636	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.7	-2.2	176.1	0	0	0	0	0	115	G10 L12	G10-A14 PolarHBondContact O-N 3.13Å; G10-A14 VanDerWaalsContact O-N 3.14Å; L12-A14 VanDerWaalsContact C-N 3.32Å
15	L	39.6	Very low	44.1	Very low	141 Å²	141	104.3 Å²	104.3	74%	0.738	62%	0.623	S	S	*	*	T	Hydrogen-bonded Turn	trans	-114.2	3.6	178.4	-74.2	170.4	0	0	0	113.5	L11 L12 L13	L11-L15 WeakPolarHBondContact O-CG 3.21Å; L12-L15 PolarHBondContact O-N 3.29Å; L13-L15 PolarHBondContact O-N 3.22Å
16	L	30.5	Very low	46.1	Very low	117 Å²	117	102 Å²	102	61%	0.613	60%	0.604	S	S	*	*	S	Bend	trans	-74.4	140.7	165.4	-71.9	166.4	0	0	0	109.5	L13	L13-L16 HydrophobicContact CD2-CD1 4.16Å; L13-L16 PolarHBondContact O-N 2.8Å
17	P	30	Very low	47.9	Very low	105 Å²	105	98.4 Å²	98.4	68%	0.682	59%	0.587	S	S	*	*			trans	-61.8	148	170.2	28.9	-34.6	0	0	0	109.6	G19	P17-G19 PolarHBondContact O-N 3.22Å
18	P	29.2	Very low	49.7	Very low	114 Å²	114	94.5 Å²	94.5	74%	0.74	56%	0.561	S	S	*	*			trans	-60.6	106.9	-179.1	24.6	-33.6	0	0	0	110.1	A20	P18-A20 PolarHBondContact O-N 2.87Å
19	G	26.7	Very low	51.9	Low	75 Å²	75	85.3 Å²	85.3	77%	0.773	53%	0.527	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	118.6	-176.1	0	0	0	0	0	110.7	P17 A21	P17-G19 PolarHBondContact O-N 3.22Å; G19-A21 PolarHBondContact O-N 3Å
20	A	28.5	Very low	54	Low	104 Å²	104	78.6 Å²	78.6	86%	0.86	51%	0.505	S	S	*	.	T	Hydrogen-bonded Turn	trans	44.1	65.9	178.6	0	0	0	0	0	113.3	P18 S22	P18-A20 PolarHBondContact O-N 2.87Å; A20-S22 PolarHBondContact O-N 2.95Å
21	A	31.8	Very low	56.2	Low	85 Å²	85	77.2 Å²	77.2	70%	0.702	49%	0.488	S	S	*	.			trans	-49.1	111.4	176.9	0	0	0	0	0	111.2	G19	G19-A21 PolarHBondContact O-N 3Å
22	S	48.9	Very low	58.5	Low	103 Å²	103	74.9 Å²	74.9	72%	0.72	47%	0.473	S	S	*	.	P	Polyproline II helix	trans	-62.8	137.2	176.2	43.4	0	0	0	0	109.8	A20 Q24	A20-S22 PolarHBondContact O-N 2.95Å; S22-Q24 PolarHBondContact O-N 3.34Å; S22-Q24 VanDerWaalsContact O-N 3.16Å
23	T	59.3	Low	61	Low	68 Å²	68	72 Å²	72	42%	0.417	46%	0.458	S	S	.	.	P	Polyproline II helix	trans	-58	120.1	174	29	0	0	0	0	109.1	V25	T23-V25 WeakPolarHBondContact O-CG2 3.5Å; T23-V25 PolarHBondContact O-N 2.78Å
24	Q	78.6	Confident	63.3	Low	100 Å²	100	72.3 Å²	72.3	47%	0.467	45%	0.451	S	S	.	.	P	Polyproline II helix	trans	-71.4	124.9	179.5	-70.3	-173.5	-16.9	0	0	109.6	S22 G52 Q54 V55	S22-Q24 PolarHBondContact O-N 3.34Å; S22-Q24 VanDerWaalsContact O-N 3.16Å; Q24-G52 WeakPolarHBondContact CB-O 3.47Å; Q24-G52 PolarHBondContact OE1-O 3.03Å; Q24-G52 VanDerWaalsContact OE1-O 3.07Å; Q24-Q54 PolarHBondContact O-N 2.68Å; Q24-V55 PolarHBondContact O-N 2.85Å; Q24-V55 VanDerWaalsContact O-N 3.17Å
25	V	83.3	Confident	65.6	Low	44 Å²	44	74.5 Å²	74.5	27%	0.267	45%	0.45	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	131.2	-175.1	-175.8	0	0	0	0	109.1	T23 V55 Q57 F291	T23-V25 WeakPolarHBondContact O-CG2 3.5Å; T23-V25 PolarHBondContact O-N 2.78Å; V25-V55 WeakPolarHBondContact CA-O 3.38Å; V25-V55 HydrophobicContact CG2-CB 4.34Å; V25-Q57 HydrophobicContact CG1-CB 4.18Å; V25-Q57 VanDerWaalsContact CG1-CD 3.48Å; V25-Q57 HydrophobicContact CG1-CG 3.63Å; V25-F291 HydrophobicContact CG1-CE1 4.23Å; V25-F291 HydrophobicContact CG1-CZ 4.28Å; V25-F291 HydrophobicContact CG2-CE1 4.23Å
26	C	86.5	Confident	67.9	Low	4 Å²	4	68.7 Å²	68.7	3%	0.027	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	158.6	172	61.1	0	0	0	0	110.3	L49 Y50 C53 V55 Q57	C26-L49 HydrophobicContact CB-CD1 4.45Å; C26-L49 WeakPolarHBondContact CB-O 3.37Å; C26-Y50 VanDerWaalsContact SG-CD1 3.55Å; C26-C53 HydrophobicContact CB-CB 3.67Å; C26-C53 WeakPolarHBondContact CB-SG 3.32Å; C26-C53 PolarHBondContact N-SG 3.15Å; C26-C53 WeakPolarHBondContact SG-CB 3.46Å; C26-C53 CovalentContact SG-SG 2.03Å; C26-C53 PolarHBondContact SG-SG 3.2Å; C26-V55 PolarHBondContact N-O 3.41Å; C26-Q57 PolarHBondContact O-N 2.79Å
27	T	82.8	Confident	70.4	Confident	48 Å²	48	64.7 Å²	64.7	29%	0.294	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	153.9	167.9	-175.2	0	0	0	0	110.3	L49 L436	T27-L49 HydrophobicContact CG2-CD1 3.52Å; T27-L49 WeakPolarHBondContact O-CD1 3.35Å; T27-L436 HydrophobicContact CG2-CD1 4.16Å
28	G	86	Confident	73	Confident	3 Å²	3	59.8 Å²	59.8	3%	0.031	37%	0.373	C	S	.	.			trans	-80.4	-173	166.5	0	0	0	0	0	113	Q57 N59 G439	G28-Q57 PolarHBondContact N-O 2.93Å; G28-N59 CarbonylContact C-O 3.57Å; G28-N59 WeakPolarHBondContact CA-O 3.33Å; G28-G439 VanDerWaalsContact O-O 3.13Å
29	T	90.7	Very high	75.8	Confident	2 Å²	2	58.3 Å²	58.3	1%	0.012	36%	0.364	C	S	.	.	B	Isolated β-bridge	trans	-113.4	163.6	174	36.7	0	0	0	0	111.6	M45 L49 Y50 N59 E61	T29-M45 HydrophobicContact CG2-CE 4.31Å; T29-M45 HydrophobicContact CG2-SD 4.41Å; T29-L49 HydrophobicContact CG2-CD2 3.64Å; T29-Y50 PolarHBondContact OG1-OH 3.29Å; T29-N59 PolarHBondContact N-O 3.2Å; T29-N59 WeakPolarHBondContact O-CB 3.39Å; T29-N59 PolarHBondContact O-ND2 2.76Å; T29-N59 VanDerWaalsContact O-ND2 3.11Å; T29-N59 PolarHBondContact OG1-O 3.39Å; T29-E61 VanDerWaalsContact OG1-CB 3.32Å; T29-E61 WeakPolarHBondContact OG1-CB 3.33Å; T29-E61 WeakPolarHBondContact OG1-CG 3.4Å; T29-E61 PolarHBondContact OG1-N 2.96Å
30	D	89.9	Confident	78.6	Confident	53 Å²	53	60 Å²	60	28%	0.283	35%	0.351	S	S	.	.			trans	-148.9	59.3	169.8	-166.9	1	0	0	0	111.1	K32 R34 E61 N438	D30-K32 WeakPolarHBondContact OD1-CE 3.21Å; D30-K32 WeakPolarHBondContact OD1-CG 3.4Å; D30-K32 IonicContact OD1-NZ 3.18Å; D30-K32 PolarHBondContact OD1-NZ 2.98Å; D30-K32 IonicContact OD2-NZ 2.8Å; D30-R34 PolarHBondContact O-NH2 3.18Å; D30-E61 WeakPolarHBondContact CA-OE2 3.46Å; D30-E61 PolarHBondContact N-OE2 2.96Å; D30-N438 CarbonylContact C-O 3.48Å; D30-N438 PolarHBondContact N-O 3.09Å; D30-N438 CarbonylContact O-C 3.2Å; D30-N438 WeakPolarHBondContact O-CA 3.32Å
31	M	90.1	Very high	81.5	Confident	8 Å²	8	55.7 Å²	55.7	4%	0.039	31%	0.314	C	S	.	.			trans	-92.5	-25.3	168.3	57.2	-175.1	-66.6	0	0	112.4	L33 R34 P36 H42 E61 T63 N438	M31-L33 PolarHBondContact O-N 3.14Å; M31-R34 WeakPolarHBondContact CE-O 3.48Å; M31-R34 VanDerWaalsContact O-CB 3.23Å; M31-R34 WeakPolarHBondContact O-CB 2.99Å; M31-R34 VanDerWaalsContact O-CG 3.31Å; M31-R34 WeakPolarHBondContact O-CG 3Å; M31-R34 PolarHBondContact O-N 3.28Å; M31-R34 VanDerWaalsContact O-N 3.11Å; M31-R34 PolarHBondContact O-NE 3.06Å; M31-P36 HydrophobicContact CE-CG 4.14Å; M31-H42 VanDerWaalsContact SD-CE1 3.58Å; M31-E61 HydrophobicContact CG-CB 4.47Å; M31-E61 VanDerWaalsContact CG-OE2 3.26Å; M31-E61 WeakPolarHBondContact CG-OE2 3.5Å; M31-E61 PolarHBondContact N-OE2 3.47Å; M31-T63 WeakPolarHBondContact CE-OG1 3.46Å; M31-N438 HydrophobicContact CB-CB 4.14Å; M31-N438 PolarHBondContact N-O 3.42Å
32	K	92.9	Very high	84.4	Confident	75 Å²	75	52.1 Å²	52.1	33%	0.326	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.4	-127.2	-173.1	-46.8	-155.9	-172.2	-49.7	0	111.2	D30 E61 Y83 F108	D30-K32 WeakPolarHBondContact OD1-CE 3.21Å; D30-K32 WeakPolarHBondContact OD1-CG 3.4Å; D30-K32 IonicContact OD1-NZ 3.18Å; D30-K32 PolarHBondContact OD1-NZ 2.98Å; D30-K32 IonicContact OD2-NZ 2.8Å; K32-E61 VanDerWaalsContact CA-OE1 3.26Å; K32-E61 WeakPolarHBondContact CA-OE1 3.49Å; K32-E61 VanDerWaalsContact N-CD 3.35Å; K32-E61 PolarHBondContact N-OE1 3.29Å; K32-E61 VanDerWaalsContact N-OE1 3.14Å; K32-E61 PolarHBondContact N-OE2 3.16Å; K32-Y83 PolarHBondContact NZ-OH 2.86Å; K32-F108 HydrophobicContact CB-CE2 4.3Å
33	L	92.7	Very high	86.5	Confident	61 Å²	61	48.9 Å²	48.9	32%	0.319	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.1	17.2	175	-58.5	179.8	0	0	0	113.2	M31 Y64 L85 A87 F108 L117	M31-L33 PolarHBondContact O-N 3.14Å; L33-Y64 PolarHBondContact O-OH 2.03Å; L33-Y64 VanDerWaalsContact O-OH 3.06Å; L33-L85 HydrophobicContact CD2-CD1 4.32Å; L33-L85 HydrophobicContact CD2-CD2 4.22Å; L33-A87 HydrophobicContact CD2-CB 3.36Å; L33-F108 HydrophobicContact CD1-CZ 4.03Å; L33-F108 HydrophobicContact CD2-CZ 4.47Å; L33-F108 HydrophobicContact CG-CE2 4.28Å; L33-F108 HydrophobicContact CG-CZ 4Å; L33-L117 HydrophobicContact CD1-CD1 4.36Å; L33-L117 HydrophobicContact CD2-CD1 4.45Å
34	R	89.8	Confident	88	Confident	127 Å²	127	48.3 Å²	48.3	48%	0.479	25%	0.252	S	S	.	.	P	Polyproline II helix	trans	-73	139.2	173.1	-65.3	179.9	-79.7	-171	-5.3	109.6	D30 M31 N438	D30-R34 PolarHBondContact O-NH2 3.18Å; M31-R34 WeakPolarHBondContact CE-O 3.48Å; M31-R34 VanDerWaalsContact O-CB 3.23Å; M31-R34 WeakPolarHBondContact O-CB 2.99Å; M31-R34 VanDerWaalsContact O-CG 3.31Å; M31-R34 WeakPolarHBondContact O-CG 3Å; M31-R34 PolarHBondContact O-N 3.28Å; M31-R34 VanDerWaalsContact O-N 3.11Å; M31-R34 PolarHBondContact O-NE 3.06Å; R34-N438 PolarHBondContact NH1-OD1 2.85Å; R34-N438 PolarHBondContact NH2-OD1 3.32Å
35	L	89.1	Confident	88.7	Confident	127 Å²	127	43.8 Å²	43.8	67%	0.665	23%	0.231	S	C	*	.	P	Polyproline II helix	trans	-60.2	147.4	174.2	-76.8	73.6	0	0	0	110	A37 Y64	L35-A37 PolarHBondContact O-N 2.04Å; L35-Y64 HydrophobicContact CG-CE1 4.25Å; L35-Y64 HydrophobicContact CG-CE2 4.46Å
36	P	87.9	Confident	89.3	Confident	19 Å²	19	41.7 Å²	41.7	12%	0.123	22%	0.218	C	C	.	.	P	Polyproline II helix	trans	-60.8	135.3	174.8	-18.9	30.6	0	0	0	111.2	M31 S38 H42 Y64	M31-P36 HydrophobicContact CE-CG 4.14Å; P36-S38 VanDerWaalsContact C-N 3.26Å; P36-S38 PolarHBondContact O-N 3.42Å; P36-H42 HydrophobicContact CB-CB 3.69Å; P36-H42 HydrophobicContact CG-CB 3.97Å; P36-Y64 HydrophobicContact CG-CD2 4.24Å
37	A	83.3	Confident	89.6	Confident	34 Å²	34	45.8 Å²	45.8	28%	0.281	23%	0.233	S	C	.	.	S	Bend	trans	-57.8	-38.9	178.8	0	0	0	0	0	112.5	L35 L467 H469	L35-A37 PolarHBondContact O-N 2.04Å; A37-L467 HydrophobicContact CB-CD2 4.05Å; A37-H469 PolarHBondContact O-CE1 3.16Å
38	S	85.1	Confident	90	Very high	1 Å²	1	47.1 Å²	47.1	1%	0.007	24%	0.236	C	C	.	.	S	Bend	trans	-125.7	106.6	165.3	177.8	0	0	0	0	108.3	P36 E40 T41 H42	P36-S38 VanDerWaalsContact C-N 3.26Å; P36-S38 PolarHBondContact O-N 3.42Å; S38-E40 PolarHBondContact O-N 2.75Å; S38-E40 PolarHBondContact OG-OE2 2.9Å; S38-T41 WeakPolarHBondContact CB-OG1 3.41Å; S38-T41 PolarHBondContact O-N 2.81Å; S38-T41 PolarHBondContact OG-OG1 3.02Å; S38-H42 PolarHBondContact O-N 2.89Å
39	P	86.8	Confident	90.2	Very high	84 Å²	84	47 Å²	47	55%	0.545	24%	0.235	S	C	.	.	H	α-helix	trans	-67	-26.6	177.8	25.6	-32.2	0	0	0	112.3	H42	P39-H42 PolarHBondContact O-N 2.74Å
40	E	86.7	Confident	90.3	Very high	110 Å²	110	47 Å²	47	51%	0.514	23%	0.234	S	C	.	.	H	α-helix	trans	-61.4	-45.5	176.8	-57.2	69.1	-148.2	0	0	111.5	S38	S38-E40 PolarHBondContact O-N 2.75Å; S38-E40 PolarHBondContact OG-OE2 2.9Å
41	T	88.9	Confident	90.5	Very high	13 Å²	13	49.2 Å²	49.2	8%	0.08	24%	0.243	C	C	.	.	H	α-helix	trans	-95.4	0.8	-177.3	69.4	0	0	0	0	113.3	S38 L43 D44 M45 L494 T496	S38-T41 WeakPolarHBondContact CB-OG1 3.41Å; S38-T41 PolarHBondContact O-N 2.81Å; S38-T41 PolarHBondContact OG-OG1 3.02Å; T41-L43 PolarHBondContact O-N 2.83Å; T41-D44 PolarHBondContact O-N 3.13Å; T41-M45 PolarHBondContact O-N 3.25Å; T41-L494 HydrophobicContact CG2-CB 4.36Å; T41-T496 HydrophobicContact CG2-CG2 4.13Å
42	H	92.4	Very high	90.5	Very high	10 Å²	10	49.3 Å²	49.3	5%	0.046	25%	0.246	C	C	.	.	H	α-helix	trans	-63.8	-43.4	-174.1	-177.8	53.1	0	0	0	113.2	M31 P36 S38 P39 D44 M45 L46 T63	M31-H42 VanDerWaalsContact SD-CE1 3.58Å; P36-H42 HydrophobicContact CB-CB 3.69Å; P36-H42 HydrophobicContact CG-CB 3.97Å; S38-H42 PolarHBondContact O-N 2.89Å; P39-H42 PolarHBondContact O-N 2.74Å; H42-D44 VanDerWaalsContact C-N 3.26Å; H42-D44 PolarHBondContact O-N 3.16Å; H42-M45 WeakPolarHBondContact O-CB 3.06Å; H42-M45 PolarHBondContact O-N 2.83Å; H42-L46 WeakPolarHBondContact O-CG 3.45Å; H42-L46 PolarHBondContact O-N 2.99Å; H42-L46 VanDerWaalsContact O-N 3.07Å; H42-T63 PolarHBondContact CD2-O 3.08Å; H42-T63 PolarHBondContact NE2-O 3.19Å; H42-T63 VanDerWaalsContact NE2-O 3.1Å
43	L	93.2	Very high	90.5	Very high	36 Å²	36	45.7 Å²	45.7	19%	0.188	23%	0.23	C	C	.	.	H	α-helix	trans	-64.6	-33	177.2	178.5	60	0	0	0	112	T41 R47 L65 A69 L71 F73	T41-L43 PolarHBondContact O-N 2.83Å; L43-R47 WeakPolarHBondContact O-CB 3.35Å; L43-R47 PolarHBondContact O-N 3.4Å; L43-L65 HydrophobicContact CD1-CD2 3.89Å; L43-A69 HydrophobicContact CD1-CB 4.17Å; L43-A69 HydrophobicContact CD2-CB 3.96Å; L43-L71 HydrophobicContact CD1-CD2 3.95Å; L43-F73 HydrophobicContact CD1-CE1 4.19Å; L43-F73 HydrophobicContact CD1-CZ 4.34Å
44	D	92.1	Very high	90.6	Very high	56 Å²	56	45.3 Å²	45.3	30%	0.299	23%	0.227	S	C	.	.	H	α-helix	trans	-78.1	-31.2	178.2	-64	-35.3	0	0	0	111.7	T41 H42 R47 H48 L494	T41-D44 PolarHBondContact O-N 3.13Å; H42-D44 VanDerWaalsContact C-N 3.26Å; H42-D44 PolarHBondContact O-N 3.16Å; D44-R47 PolarHBondContact O-N 3.36Å; D44-R47 IonicContact OD1-CZ 3.49Å; D44-R47 IonicContact OD1-NH1 2.74Å; D44-R47 PolarHBondContact OD1-NH1 2.79Å; D44-R47 IonicContact OD1-NH2 3.39Å; D44-R47 PolarHBondContact OD1-NH2 2.84Å; D44-H48 PolarHBondContact O-N 2.86Å; D44-H48 PolarHBondContact O-ND1 3.03Å; D44-L494 HydrophobicContact CB-CD2 4.5Å
45	M	93.2	Very high	90.7	Very high	4 Å²	4	40.2 Å²	40.2	2%	0.02	21%	0.21	C	C	.	.	H	α-helix	trans	-56.9	-55.1	165.9	-176.1	-81.1	-68.2	0	0	110.7	T29 T41 H42 R47 H48 L49 A440 Y441 L465 L494	T29-M45 HydrophobicContact CG2-CE 4.31Å; T29-M45 HydrophobicContact CG2-SD 4.41Å; T41-M45 PolarHBondContact O-N 3.25Å; H42-M45 WeakPolarHBondContact O-CB 3.06Å; H42-M45 PolarHBondContact O-N 2.83Å; M45-R47 PolarHBondContact O-N 3.36Å; M45-H48 PolarHBondContact O-N 3.49Å; M45-L49 WeakPolarHBondContact O-CB 3.04Å; M45-L49 PolarHBondContact O-N 2.95Å; M45-L49 HydrophobicContact SD-CB 4.46Å; M45-L49 HydrophobicContact SD-CD2 4.12Å; M45-A440 HydrophobicContact CE-CB 4.46Å; M45-A440 HydrophobicContact CG-CB 4.19Å; M45-A440 HydrophobicContact SD-CB 3.84Å; M45-Y441 HydrophobicContact CG-CE1 4.22Å; M45-L465 HydrophobicContact CG-CD1 4.45Å; M45-L465 HydrophobicContact CG-CD2 4.17Å; M45-L494 HydrophobicContact CB-CD1 3.62Å; M45-L494 HydrophobicContact CG-CD1 4.28Å
46	L	94.2	Very high	90.9	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-59	-37.2	179.4	-67.5	175.5	0	0	0	111.9	H42 Y50 L62 L65 F73	H42-L46 WeakPolarHBondContact O-CG 3.45Å; H42-L46 PolarHBondContact O-N 2.99Å; H42-L46 VanDerWaalsContact O-N 3.07Å; L46-Y50 HydrophobicContact CD2-CD2 4.26Å; L46-Y50 HydrophobicContact CD2-CE2 3.81Å; L46-Y50 WeakPolarHBondContact O-CB 3.47Å; L46-Y50 WeakPolarHBondContact O-CD2 3.33Å; L46-Y50 PolarHBondContact O-N 3.23Å; L46-L62 HydrophobicContact CD1-CD2 4.39Å; L46-L62 HydrophobicContact CD2-CD2 4.43Å; L46-L65 HydrophobicContact CD1-CD1 3.89Å; L46-L65 HydrophobicContact CD1-CD2 3.88Å; L46-L65 HydrophobicContact CD1-CG 4.1Å; L46-F73 HydrophobicContact CB-CE2 4.25Å; L46-F73 HydrophobicContact CB-CZ 4.08Å; L46-F73 VanDerWaalsContact O-CE2 3.29Å; L46-F73 WeakPolarHBondContact O-CE2 3.25Å
47	R	94.1	Very high	90.9	Very high	90 Å²	90	34.6 Å²	34.6	34%	0.34	18%	0.178	S	C	.	.	H	α-helix	trans	-65.8	-53.2	176.6	-167.3	-174.7	-54.6	120.7	21.8	111.7	L43 D44 M45 L49 Y50 Q51 F73	L43-R47 WeakPolarHBondContact O-CB 3.35Å; L43-R47 PolarHBondContact O-N 3.4Å; D44-R47 PolarHBondContact O-N 3.36Å; D44-R47 IonicContact OD1-CZ 3.49Å; D44-R47 IonicContact OD1-NH1 2.74Å; D44-R47 PolarHBondContact OD1-NH1 2.79Å; D44-R47 IonicContact OD1-NH2 3.39Å; D44-R47 PolarHBondContact OD1-NH2 2.84Å; M45-R47 PolarHBondContact O-N 3.36Å; R47-L49 VanDerWaalsContact C-N 3.27Å; R47-L49 PolarHBondContact O-N 3.35Å; R47-Y50 PolarHBondContact O-N 3.23Å; R47-Q51 WeakPolarHBondContact O-CB 3.4Å; R47-Q51 PolarHBondContact O-N 2.97Å; R47-F73 HydrophobicContact CB-CD1 4.22Å; R47-F73 HydrophobicContact CB-CE1 4.15Å; R47-F73 HydrophobicContact CB-CZ 4.4Å; R47-F73 HydrophobicContact CG-CB 4.39Å; R47-F73 HydrophobicContact CG-CD1 3.9Å; R47-F73 HydrophobicContact CG-CE1 4.33Å; R47-F73 HydrophobicContact CG-CG 4.12Å
48	H	90.2	Very high	91.2	Very high	76 Å²	76	33.6 Å²	33.6	35%	0.352	17%	0.171	S	C	.	.	H	α-helix	trans	-60.4	-39.6	-179.6	-72	93.6	0	0	0	111.8	D44 M45 L465 H490	D44-H48 PolarHBondContact O-N 2.86Å; D44-H48 PolarHBondContact O-ND1 3.03Å; M45-H48 PolarHBondContact O-N 3.49Å; H48-L465 HydrophobicContact CB-CD2 4.33Å; H48-H490 WeakPolarHBondContact O-CB 3.27Å; H48-H490 PolarHBondContact O-ND1 3.03Å
49	L	90.7	Very high	91.7	Very high	2 Å²	2	33.6 Å²	33.6	1%	0.01	17%	0.171	C	C	.	.	H	α-helix	trans	-65.8	-46.2	-179.8	-176.4	58.6	0	0	0	113.3	C26 T27 T29 M45 R47 H490	C26-L49 HydrophobicContact CB-CD1 4.45Å; C26-L49 WeakPolarHBondContact CB-O 3.37Å; T27-L49 HydrophobicContact CG2-CD1 3.52Å; T27-L49 WeakPolarHBondContact O-CD1 3.35Å; T29-L49 HydrophobicContact CG2-CD2 3.64Å; M45-L49 WeakPolarHBondContact O-CB 3.04Å; M45-L49 PolarHBondContact O-N 2.95Å; M45-L49 HydrophobicContact SD-CB 4.46Å; M45-L49 HydrophobicContact SD-CD2 4.12Å; R47-L49 VanDerWaalsContact C-N 3.27Å; R47-L49 PolarHBondContact O-N 3.35Å; L49-H490 PolarHBondContact O-ND1 2.91Å
50	Y	93.9	Very high	92.2	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-103	-9.1	-170.6	-63	-59	0	0	0	115	C26 T29 L46 R47 G52 C53 V56 N59 L60 L74 I77	C26-Y50 VanDerWaalsContact SG-CD1 3.55Å; T29-Y50 PolarHBondContact OG1-OH 3.29Å; L46-Y50 HydrophobicContact CD2-CD2 4.26Å; L46-Y50 HydrophobicContact CD2-CE2 3.81Å; L46-Y50 WeakPolarHBondContact O-CB 3.47Å; L46-Y50 WeakPolarHBondContact O-CD2 3.33Å; L46-Y50 PolarHBondContact O-N 3.23Å; R47-Y50 PolarHBondContact O-N 3.23Å; Y50-G52 PolarHBondContact O-N 2.75Å; Y50-G52 VanDerWaalsContact O-N 3.09Å; Y50-C53 VanDerWaalsContact O-CB 3.3Å; Y50-C53 WeakPolarHBondContact O-CB 3.41Å; Y50-C53 PolarHBondContact O-N 3.48Å; Y50-V56 HydrophobicContact CD1-CG2 4.13Å; Y50-V56 HydrophobicContact CE1-CG1 3.92Å; Y50-V56 HydrophobicContact CE1-CG2 3.89Å; Y50-N59 PolarHBondContact OH-O 2.81Å; Y50-L60 HydrophobicContact CD1-CD1 4.22Å; Y50-L60 HydrophobicContact CD2-CD1 4.21Å; Y50-L60 HydrophobicContact CE1-CD1 3.81Å; Y50-L60 HydrophobicContact CE2-CD1 3.77Å; Y50-L60 HydrophobicContact CG-CD1 4.43Å; Y50-L74 HydrophobicContact CD2-CD2 4.25Å; Y50-L74 HydrophobicContact CG-CD2 4.26Å; Y50-I77 HydrophobicContact CD1-CD1 4.31Å; Y50-I77 HydrophobicContact CG-CD1 4.49Å
51	Q	92.6	Very high	92.7	Very high	101 Å²	101	24.4 Å²	24.4	47%	0.472	12%	0.121	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	113	179.6	175.6	60.7	57.5	0	0	112.3	R47 C53 F73 H490	R47-Q51 WeakPolarHBondContact O-CB 3.4Å; R47-Q51 PolarHBondContact O-N 2.97Å; Q51-C53 PolarHBondContact O-N 2.76Å; Q51-F73 HydrophobicContact CB-CB 4.41Å; Q51-F73 VanDerWaalsContact OE1-CB 3.3Å; Q51-H490 PolarHBondContact O-CE1 3.17Å
52	G	91.3	Very high	93.1	Very high	9 Å²	9	23.8 Å²	23.8	9%	0.093	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.7	-7.8	-177.3	0	0	0	0	0	114.8	Q24 Y50 Q54	Q24-G52 WeakPolarHBondContact CB-O 3.47Å; Q24-G52 PolarHBondContact OE1-O 3.03Å; Q24-G52 VanDerWaalsContact OE1-O 3.07Å; Y50-G52 PolarHBondContact O-N 2.75Å; Y50-G52 VanDerWaalsContact O-N 3.09Å; G52-Q54 PolarHBondContact O-N 3.08Å
53	C	92.9	Very high	93.2	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.115	C	C	.	.			trans	-65.1	132	-178.2	-174.5	0	0	0	0	111.8	C26 Y50 Q51 V55 D76 I77	C26-C53 HydrophobicContact CB-CB 3.67Å; C26-C53 WeakPolarHBondContact CB-SG 3.32Å; C26-C53 PolarHBondContact N-SG 3.15Å; C26-C53 WeakPolarHBondContact SG-CB 3.46Å; C26-C53 CovalentContact SG-SG 2.03Å; C26-C53 PolarHBondContact SG-SG 3.2Å; Y50-C53 VanDerWaalsContact O-CB 3.3Å; Y50-C53 WeakPolarHBondContact O-CB 3.41Å; Y50-C53 PolarHBondContact O-N 3.48Å; Q51-C53 PolarHBondContact O-N 2.76Å; C53-V55 PolarHBondContact SG-O 2.93Å; C53-D76 CarbonylContact O-C 3.24Å; C53-I77 WeakPolarHBondContact O-CA 3.32Å; C53-I77 WeakPolarHBondContact O-CG1 3.48Å; C53-I77 PolarHBondContact O-N 3.47Å
54	Q	93.8	Very high	93.2	Very high	52 Å²	52	25.1 Å²	25.1	24%	0.243	12%	0.12	C	C	.	.	S	Bend	trans	-109.3	-28.7	177.3	-58.6	-173.6	21.2	0	0	112.2	Q24 G52 D76 Q78 E79	Q24-Q54 PolarHBondContact O-N 2.68Å; G52-Q54 PolarHBondContact O-N 3.08Å; Q54-D76 HydrophobicContact CG-CB 4.35Å; Q54-Q78 PolarHBondContact O-N 3.48Å; Q54-E79 PolarHBondContact O-N 3.05Å
55	V	92.2	Very high	93.3	Very high	20 Å²	20	22.5 Å²	22.5	12%	0.121	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	114.5	179.9	179.2	0	0	0	0	109.5	Q24 V25 C26 C53 E79	Q24-V55 PolarHBondContact O-N 2.85Å; Q24-V55 VanDerWaalsContact O-N 3.17Å; V25-V55 WeakPolarHBondContact CA-O 3.38Å; V25-V55 HydrophobicContact CG2-CB 4.34Å; C26-V55 PolarHBondContact N-O 3.41Å; C53-V55 PolarHBondContact SG-O 2.93Å; V55-E79 WeakPolarHBondContact CA-O 3.32Å; V55-E79 HydrophobicContact CG1-CB 4.32Å; V55-E79 HydrophobicContact CG2-CB 4.26Å; V55-E79 HydrophobicContact CG2-CG 4.34Å
56	V	92.6	Very high	93.2	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	107.5	176.5	-176.7	0	0	0	0	109.5	Y50 G58 I77 E79 V80 Q81	Y50-V56 HydrophobicContact CD1-CG2 4.13Å; Y50-V56 HydrophobicContact CE1-CG1 3.92Å; Y50-V56 HydrophobicContact CE1-CG2 3.89Å; V56-G58 PolarHBondContact O-N 3.41Å; V56-G58 VanDerWaalsContact O-N 3.11Å; V56-I77 HydrophobicContact CG2-CD1 4.33Å; V56-I77 HydrophobicContact CG2-CG2 4.14Å; V56-E79 PolarHBondContact N-O 3.08Å; V56-V80 HydrophobicContact CB-CG1 4.46Å; V56-V80 HydrophobicContact CB-CG2 4.13Å; V56-V80 HydrophobicContact CG2-CG2 4.14Å; V56-Q81 WeakPolarHBondContact O-CB 3.09Å; V56-Q81 PolarHBondContact O-N 3.2Å
57	Q	88.1	Confident	93	Very high	29 Å²	29	28.3 Å²	28.3	14%	0.136	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	82.3	172.1	-80.3	-174.6	-10.3	0	0	110.5	V25 C26 G28 F291 Y303	V25-Q57 HydrophobicContact CG1-CB 4.18Å; V25-Q57 VanDerWaalsContact CG1-CD 3.48Å; V25-Q57 HydrophobicContact CG1-CG 3.63Å; C26-Q57 PolarHBondContact O-N 2.79Å; G28-Q57 PolarHBondContact N-O 2.93Å; Q57-F291 VanDerWaalsContact CD-CZ 3.43Å; Q57-F291 VanDerWaalsContact OE1-CE2 3.22Å; Q57-Y303 PolarHBondContact OE1-OH 3.36Å
58	G	90.1	Very high	92.6	Very high	12 Å²	12	31 Å²	31	12%	0.124	16%	0.164	C	C	.	.	S	Bend	trans	141.9	-150.2	-177	0	0	0	0	0	109.2	V56 G82	V56-G58 PolarHBondContact O-N 3.41Å; V56-G58 VanDerWaalsContact O-N 3.11Å; G58-G82 WeakPolarHBondContact O-CA 3.08Å; G58-G82 PolarHBondContact O-N 2.91Å
59	N	95.3	Very high	92.6	Very high	2 Å²	2	28 Å²	28	1%	0.011	15%	0.152	C	C	.	.	B	Isolated β-bridge	trans	-94.2	150.7	178.3	-42.9	-57.1	0	0	0	111.2	G28 T29 Y50 E61 G82 Y83 Q106	G28-N59 CarbonylContact C-O 3.57Å; G28-N59 WeakPolarHBondContact CA-O 3.33Å; T29-N59 PolarHBondContact N-O 3.2Å; T29-N59 WeakPolarHBondContact O-CB 3.39Å; T29-N59 PolarHBondContact O-ND2 2.76Å; T29-N59 VanDerWaalsContact O-ND2 3.11Å; T29-N59 PolarHBondContact OG1-O 3.39Å; Y50-N59 PolarHBondContact OH-O 2.81Å; N59-E61 HydrophobicContact CB-CG 4.02Å; N59-G82 WeakPolarHBondContact OD1-CA 3.44Å; N59-Y83 CarbonylContact C-O 3.54Å; N59-Y83 VanDerWaalsContact CA-O 3.27Å; N59-Y83 WeakPolarHBondContact CA-O 3.49Å; N59-Y83 HydrophobicContact CB-CD1 4.2Å; N59-Y83 HydrophobicContact CB-CD2 3.96Å; N59-Y83 HydrophobicContact CB-CE1 4.06Å; N59-Y83 HydrophobicContact CB-CE2 3.77Å; N59-Y83 HydrophobicContact CB-CG 4.17Å; N59-Y83 WeakPolarHBondContact OD1-CD1 3.4Å; N59-Y83 VanDerWaalsContact OD1-CE1 3.25Å; N59-Y83 WeakPolarHBondContact OD1-CE1 3.26Å; N59-Y83 PolarHBondContact OD1-N 2.76Å; N59-Y83 VanDerWaalsContact OD1-N 3.09Å; N59-Q106 PolarHBondContact ND2-OE1 3.03Å; N59-Q106 PolarHBondContact OD1-OE1 3.03Å
60	L	97.5	Very high	92.7	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	95.9	170	173.9	59.8	0	0	0	108.2	Y50 L62 L74 I77 V80 Y83 V84 L85 L96	Y50-L60 HydrophobicContact CD1-CD1 4.22Å; Y50-L60 HydrophobicContact CD2-CD1 4.21Å; Y50-L60 HydrophobicContact CE1-CD1 3.81Å; Y50-L60 HydrophobicContact CE2-CD1 3.77Å; Y50-L60 HydrophobicContact CG-CD1 4.43Å; L60-L62 HydrophobicContact CD1-CD1 4.36Å; L60-L62 HydrophobicContact CD1-CD2 4.12Å; L60-L62 HydrophobicContact CD1-CG 4.13Å; L60-L62 HydrophobicContact CG-CD1 4.41Å; L60-L62 HydrophobicContact CG-CG 4.38Å; L60-L74 HydrophobicContact CD1-CD2 4.49Å; L60-I77 HydrophobicContact CD1-CD1 4.15Å; L60-I77 HydrophobicContact CD2-CD1 4.14Å; L60-I77 HydrophobicContact CD2-CG2 4.47Å; L60-V80 HydrophobicContact CB-CG1 4.14Å; L60-V80 HydrophobicContact CB-CG2 3.95Å; L60-V80 HydrophobicContact CD2-CG2 4Å; L60-Y83 PolarHBondContact N-O 2.98Å; L60-V84 HydrophobicContact CB-CG2 4.33Å; L60-V84 HydrophobicContact CD2-CG1 4.33Å; L60-V84 HydrophobicContact CD2-CG2 4.5Å; L60-V84 HydrophobicContact CG-CG1 4.49Å; L60-V84 WeakPolarHBondContact O-CA 3.49Å; L60-L85 PolarHBondContact O-N 3.46Å; L60-L96 HydrophobicContact CD2-CD1 3.95Å; L60-L96 HydrophobicContact CD2-CD2 3.79Å
61	E	97.3	Very high	92.7	Very high	0 Å²	0	32 Å²	32	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	120.7	179.7	-49.2	-172.2	130.2	0	0	110.7	T29 D30 M31 K32 N59 Y83 L85	T29-E61 VanDerWaalsContact OG1-CB 3.32Å; T29-E61 WeakPolarHBondContact OG1-CB 3.33Å; T29-E61 WeakPolarHBondContact OG1-CG 3.4Å; T29-E61 PolarHBondContact OG1-N 2.96Å; D30-E61 WeakPolarHBondContact CA-OE2 3.46Å; D30-E61 PolarHBondContact N-OE2 2.96Å; M31-E61 HydrophobicContact CG-CB 4.47Å; M31-E61 VanDerWaalsContact CG-OE2 3.26Å; M31-E61 WeakPolarHBondContact CG-OE2 3.5Å; M31-E61 PolarHBondContact N-OE2 3.47Å; K32-E61 VanDerWaalsContact CA-OE1 3.26Å; K32-E61 WeakPolarHBondContact CA-OE1 3.49Å; K32-E61 VanDerWaalsContact N-CD 3.35Å; K32-E61 PolarHBondContact N-OE1 3.29Å; K32-E61 VanDerWaalsContact N-OE1 3.14Å; K32-E61 PolarHBondContact N-OE2 3.16Å; N59-E61 HydrophobicContact CB-CG 4.02Å; E61-Y83 HydrophobicContact CG-CE2 3.96Å; E61-Y83 WeakPolarHBondContact OE1-CE2 3.37Å; E61-Y83 VanDerWaalsContact OE1-CZ 3.26Å; E61-Y83 PolarHBondContact OE1-OH 3.3Å; E61-L85 WeakPolarHBondContact CA-O 3.23Å; E61-L85 HydrophobicContact CB-CB 4.33Å; E61-L85 HydrophobicContact CB-CD2 4.44Å; E61-L85 HydrophobicContact CG-CB 4.13Å; E61-L85 HydrophobicContact CG-CD2 4.32Å
62	L	96.7	Very high	92.8	Very high	1 Å²	1	30.1 Å²	30.1	1%	0.005	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	96.2	-179.2	-60.4	174.4	0	0	0	106.7	L46 L60 L65 L74 L85 I86 A87 N89 V94 L96	L46-L62 HydrophobicContact CD1-CD2 4.39Å; L46-L62 HydrophobicContact CD2-CD2 4.43Å; L60-L62 HydrophobicContact CD1-CD1 4.36Å; L60-L62 HydrophobicContact CD1-CD2 4.12Å; L60-L62 HydrophobicContact CD1-CG 4.13Å; L60-L62 HydrophobicContact CG-CD1 4.41Å; L60-L62 HydrophobicContact CG-CG 4.38Å; L62-L65 VanDerWaalsContact C-CD1 3.46Å; L62-L65 HydrophobicContact CB-CD1 3.93Å; L62-L74 HydrophobicContact CD1-CD1 3.6Å; L62-L74 HydrophobicContact CD2-CD1 4.05Å; L62-L74 HydrophobicContact CD2-CD2 4.14Å; L62-L85 PolarHBondContact N-O 2.03Å; L62-I86 HydrophobicContact CD1-CG1 4.5Å; L62-I86 WeakPolarHBondContact O-CA 3.38Å; L62-A87 PolarHBondContact O-N 3.44Å; L62-N89 PolarHBondContact O-ND2 3.38Å; L62-N89 PolarHBondContact O-OD1 2.72Å; L62-V94 HydrophobicContact CD1-CG1 3.63Å; L62-L96 HydrophobicContact CD1-CD1 4.19Å
63	T	95.3	Very high	93	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	150.3	-174.2	66	0	0	0	0	114	M31 H42 L65 L85 A87 N89	M31-T63 WeakPolarHBondContact CE-OG1 3.46Å; H42-T63 PolarHBondContact CD2-O 3.08Å; H42-T63 PolarHBondContact NE2-O 3.19Å; H42-T63 VanDerWaalsContact NE2-O 3.1Å; T63-L65 VanDerWaalsContact N-CD1 3.33Å; T63-L65 WeakPolarHBondContact O-CD1 3.26Å; T63-L65 PolarHBondContact O-N 3.34Å; T63-L85 HydrophobicContact CG2-CD2 4.11Å; T63-L85 HydrophobicContact CG2-CG 4.28Å; T63-A87 WeakPolarHBondContact CA-O 3.46Å; T63-A87 HydrophobicContact CG2-CB 4.01Å; T63-N89 VanDerWaalsContact C-OD1 3.26Å; T63-N89 WeakPolarHBondContact CA-OD1 3.49Å
64	Y	94.2	Very high	93.1	Very high	73 Å²	73	29.9 Å²	29.9	29%	0.286	17%	0.174	S	C	.	.	S	Bend	trans	57.1	21.2	177.1	-56	-81.1	0	0	0	116	L33 L35 P36 A87 H88 N89	L33-Y64 PolarHBondContact O-OH 2.03Å; L33-Y64 VanDerWaalsContact O-OH 3.06Å; L35-Y64 HydrophobicContact CG-CE1 4.25Å; L35-Y64 HydrophobicContact CG-CE2 4.46Å; P36-Y64 HydrophobicContact CG-CD2 4.24Å; Y64-A87 PolarHBondContact N-O 2.83Å; Y64-A87 VanDerWaalsContact N-O 3.14Å; Y64-H88 HydrophobicContact CD1-CB 3.79Å; Y64-H88 HydrophobicContact CE1-CB 3.71Å; Y64-H88 AromaticContact CE1-CD2 3.81Å; Y64-H88 AromaticContact CE1-CG 3.88Å; Y64-H88 HydrophobicContact CG-CB 4.37Å; Y64-H88 AromaticContact CZ-CD2 3.61Å; Y64-H88 PolarHBondContact OH-CD2 2.97Å; Y64-N89 PolarHBondContact N-OD1 3.17Å
65	L	93.8	Very high	93.1	Very high	2 Å²	2	31.5 Å²	31.5	1%	0.01	18%	0.182	C	C	.	.			trans	-73.2	130.3	-177.2	-70.6	103.8	0	0	0	112.6	L43 L46 L62 T63 A69 L71 N89 Q90 V91	L43-L65 HydrophobicContact CD1-CD2 3.89Å; L46-L65 HydrophobicContact CD1-CD1 3.89Å; L46-L65 HydrophobicContact CD1-CD2 3.88Å; L46-L65 HydrophobicContact CD1-CG 4.1Å; L62-L65 VanDerWaalsContact C-CD1 3.46Å; L62-L65 HydrophobicContact CB-CD1 3.93Å; T63-L65 VanDerWaalsContact N-CD1 3.33Å; T63-L65 WeakPolarHBondContact O-CD1 3.26Å; T63-L65 PolarHBondContact O-N 3.34Å; L65-A69 HydrophobicContact CD2-CB 4.47Å; L65-L71 HydrophobicContact CD2-CD1 4.14Å; L65-L71 HydrophobicContact CD2-CD2 3.28Å; L65-L71 HydrophobicContact CD2-CG 4.36Å; L65-N89 HydrophobicContact CB-CB 4.46Å; L65-N89 WeakPolarHBondContact CB-OD1 3.22Å; L65-N89 WeakPolarHBondContact CD1-OD1 3.45Å; L65-N89 PolarHBondContact N-OD1 3.5Å; L65-Q90 PolarHBondContact O-N 3.5Å; L65-V91 PolarHBondContact O-N 3.13Å
66	P	91.2	Very high	93.3	Very high	75 Å²	75	32.8 Å²	32.8	49%	0.487	19%	0.188	S	C	.	.			trans	-75.3	159.9	-175.7	29.7	-35.4	0	0	0	113.4	N68 A69	P66-N68 PolarHBondContact O-N 3.21Å; P66-A69 HydrophobicContact CG-CB 4.19Å; P66-A69 VanDerWaalsContact O-CB 3.3Å; P66-A69 WeakPolarHBondContact O-CB 3.5Å; P66-A69 PolarHBondContact O-N 3.03Å
67	T	88.5	Confident	93.5	Very high	50 Å²	50	32.8 Å²	32.8	31%	0.307	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.8	-33.3	-171.5	-43.8	0	0	0	0	115.5	Q90	T67-Q90 WeakPolarHBondContact CA-O 3.43Å; T67-Q90 WeakPolarHBondContact OG1-CB 3.31Å
68	N	86.4	Confident	93.8	Very high	146 Å²	146	33.2 Å²	33.2	78%	0.781	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	-104.6	13.8	-176.2	-64.5	-17.3	0	0	0	113.4	P66 S70	P66-N68 PolarHBondContact O-N 3.21Å; N68-S70 PolarHBondContact O-N 3.41Å
69	A	89.6	Confident	94.1	Very high	13 Å²	13	33.8 Å²	33.8	11%	0.107	19%	0.19	C	C	.	.			trans	-64.5	128	177.6	0	0	0	0	0	111.5	L43 L65 P66 L71	L43-A69 HydrophobicContact CD1-CB 4.17Å; L43-A69 HydrophobicContact CD2-CB 3.96Å; L65-A69 HydrophobicContact CD2-CB 4.47Å; P66-A69 HydrophobicContact CG-CB 4.19Å; P66-A69 VanDerWaalsContact O-CB 3.3Å; P66-A69 WeakPolarHBondContact O-CB 3.5Å; P66-A69 PolarHBondContact O-N 3.03Å; A69-L71 HydrophobicContact CB-CD2 3.86Å; A69-L71 HydrophobicContact CB-CG 4.49Å; A69-L71 PolarHBondContact O-N 3.07Å
70	S	93.3	Very high	94.2	Very high	78 Å²	78	33.7 Å²	33.7	55%	0.545	19%	0.189	S	C	.	.			trans	-83	113.5	171.9	-174.7	0	0	0	0	110.2	N68 F73	N68-S70 PolarHBondContact O-N 3.41Å; S70-F73 WeakPolarHBondContact O-CE1 3.48Å
71	L	95	Very high	94	Very high	8 Å²	8	35.1 Å²	35.1	4%	0.042	20%	0.196	C	C	.	.			trans	-107.1	18.1	-175.4	-51.4	-171.5	0	0	0	113.4	L43 L65 A69 F73 L74 V91 V94 P95	L43-L71 HydrophobicContact CD1-CD2 3.95Å; L65-L71 HydrophobicContact CD2-CD1 4.14Å; L65-L71 HydrophobicContact CD2-CD2 3.28Å; L65-L71 HydrophobicContact CD2-CG 4.36Å; A69-L71 HydrophobicContact CB-CD2 3.86Å; A69-L71 HydrophobicContact CB-CG 4.49Å; A69-L71 PolarHBondContact O-N 3.07Å; L71-F73 HydrophobicContact CD2-CE1 4.12Å; L71-F73 HydrophobicContact CD2-CZ 4.25Å; L71-F73 PolarHBondContact O-N 2.91Å; L71-L74 HydrophobicContact CB-CD1 4.09Å; L71-L74 HydrophobicContact CD1-CD1 4.5Å; L71-L74 WeakPolarHBondContact O-CB 3.44Å; L71-L74 PolarHBondContact O-N 2.83Å; L71-L74 VanDerWaalsContact O-N 3.08Å; L71-V91 HydrophobicContact CD1-CB 4.42Å; L71-V91 HydrophobicContact CD1-CG1 3.96Å; L71-V91 HydrophobicContact CD1-CG2 3.95Å; L71-V91 HydrophobicContact CG-CG2 4.36Å; L71-V94 HydrophobicContact CD1-CG2 4.11Å; L71-P95 HydrophobicContact CB-CG 4.05Å; L71-P95 WeakPolarHBondContact O-CG 3.14Å
72	S	94.6	Very high	93.9	Very high	63 Å²	63	35.1 Å²	35.1	44%	0.441	20%	0.196	S	C	.	.	G	3₁₀ helix	trans	-57.7	-23.3	-177.2	55.4	0	0	0	0	113.9	L74 Q75	S72-L74 PolarHBondContact O-N 2.87Å; S72-Q75 WeakPolarHBondContact O-CB 3.35Å; S72-Q75 VanDerWaalsContact O-CG 3.24Å; S72-Q75 WeakPolarHBondContact O-CG 3.4Å; S72-Q75 PolarHBondContact O-N 2.9Å
73	F	94.1	Very high	94	Very high	3 Å²	3	35.1 Å²	35.1	1%	0.013	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	-65.2	-17.1	177.3	62	-95.7	0	0	0	114.1	L43 L46 R47 Q51 S70 L71 Q75	L43-F73 HydrophobicContact CD1-CE1 4.19Å; L43-F73 HydrophobicContact CD1-CZ 4.34Å; L46-F73 HydrophobicContact CB-CE2 4.25Å; L46-F73 HydrophobicContact CB-CZ 4.08Å; L46-F73 VanDerWaalsContact O-CE2 3.29Å; L46-F73 WeakPolarHBondContact O-CE2 3.25Å; R47-F73 HydrophobicContact CB-CD1 4.22Å; R47-F73 HydrophobicContact CB-CE1 4.15Å; R47-F73 HydrophobicContact CB-CZ 4.4Å; R47-F73 HydrophobicContact CG-CB 4.39Å; R47-F73 HydrophobicContact CG-CD1 3.9Å; R47-F73 HydrophobicContact CG-CE1 4.33Å; R47-F73 HydrophobicContact CG-CG 4.12Å; Q51-F73 HydrophobicContact CB-CB 4.41Å; Q51-F73 VanDerWaalsContact OE1-CB 3.3Å; S70-F73 WeakPolarHBondContact O-CE1 3.48Å; L71-F73 HydrophobicContact CD2-CE1 4.12Å; L71-F73 HydrophobicContact CD2-CZ 4.25Å; L71-F73 PolarHBondContact O-N 2.91Å; F73-Q75 VanDerWaalsContact C-N 3.34Å
74	L	96	Very high	94.1	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	-80.5	-10.2	177	-59.1	177.3	0	0	0	114.1	Y50 L60 L62 L71 S72 D76 I77 V94 L96	Y50-L74 HydrophobicContact CD2-CD2 4.25Å; Y50-L74 HydrophobicContact CG-CD2 4.26Å; L60-L74 HydrophobicContact CD1-CD2 4.49Å; L62-L74 HydrophobicContact CD1-CD1 3.6Å; L62-L74 HydrophobicContact CD2-CD1 4.05Å; L62-L74 HydrophobicContact CD2-CD2 4.14Å; L71-L74 HydrophobicContact CB-CD1 4.09Å; L71-L74 HydrophobicContact CD1-CD1 4.5Å; L71-L74 WeakPolarHBondContact O-CB 3.44Å; L71-L74 PolarHBondContact O-N 2.83Å; L71-L74 VanDerWaalsContact O-N 3.08Å; S72-L74 PolarHBondContact O-N 2.87Å; L74-D76 PolarHBondContact O-N 2.03Å; L74-D76 VanDerWaalsContact O-N 3.17Å; L74-I77 HydrophobicContact CB-CD1 4.31Å; L74-I77 HydrophobicContact CD2-CD1 3.74Å; L74-I77 PolarHBondContact O-N 2.03Å; L74-V94 HydrophobicContact CD1-CG1 4.01Å; L74-L96 HydrophobicContact CB-CD2 4.01Å
75	Q	94.2	Very high	94.3	Very high	86 Å²	86	31.7 Å²	31.7	40%	0.402	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-19.1	-168.8	-72.7	176	4.1	0	0	114.9	S72 F73 P95 R98	S72-Q75 WeakPolarHBondContact O-CB 3.35Å; S72-Q75 VanDerWaalsContact O-CG 3.24Å; S72-Q75 WeakPolarHBondContact O-CG 3.4Å; S72-Q75 PolarHBondContact O-N 2.9Å; F73-Q75 VanDerWaalsContact C-N 3.34Å; Q75-P95 HydrophobicContact CG-CB 3.99Å; Q75-P95 HydrophobicContact CG-CG 4.24Å; Q75-R98 WeakPolarHBondContact O-CD 3.44Å; Q75-R98 VanDerWaalsContact O-CG 3.31Å; Q75-R98 WeakPolarHBondContact O-CG 3.49Å; Q75-R98 PolarHBondContact O-NE 3.49Å
76	D	95.2	Very high	94.5	Very high	48 Å²	48	31.6 Å²	31.6	26%	0.257	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.1	-12.2	-178.5	-65.7	-52.8	0	0	0	113.6	C53 Q54 L74 Q78 R98	C53-D76 CarbonylContact O-C 3.24Å; Q54-D76 HydrophobicContact CG-CB 4.35Å; L74-D76 PolarHBondContact O-N 2.03Å; L74-D76 VanDerWaalsContact O-N 3.17Å; D76-Q78 PolarHBondContact O-N 3.04Å; D76-Q78 PolarHBondContact O-NE2 2.04Å; D76-R98 IonicContact OD1-CZ 2.77Å; D76-R98 IonicContact OD1-NH1 3.79Å; D76-R98 PolarHBondContact OD1-NH1 3.06Å; D76-R98 IonicContact OD1-NH2 3.21Å
77	I	96.5	Very high	94.8	Very high	0 Å²	0	28 Å²	28	0%	0	16%	0.159	C	C	.	.			trans	-63.9	127.3	-178.8	-61	174.3	0	0	0	110.3	Y50 C53 V56 L60 L74 V80 L96 R98 L99	Y50-I77 HydrophobicContact CD1-CD1 4.31Å; Y50-I77 HydrophobicContact CG-CD1 4.49Å; C53-I77 WeakPolarHBondContact O-CA 3.32Å; C53-I77 WeakPolarHBondContact O-CG1 3.48Å; C53-I77 PolarHBondContact O-N 3.47Å; V56-I77 HydrophobicContact CG2-CD1 4.33Å; V56-I77 HydrophobicContact CG2-CG2 4.14Å; L60-I77 HydrophobicContact CD1-CD1 4.15Å; L60-I77 HydrophobicContact CD2-CD1 4.14Å; L60-I77 HydrophobicContact CD2-CG2 4.47Å; L74-I77 HydrophobicContact CB-CD1 4.31Å; L74-I77 HydrophobicContact CD2-CD1 3.74Å; L74-I77 PolarHBondContact O-N 2.03Å; I77-V80 HydrophobicContact CG2-CG2 4.22Å; I77-L96 HydrophobicContact CB-CD2 4.19Å; I77-L96 HydrophobicContact CD1-CD2 4.04Å; I77-L96 HydrophobicContact CG2-CD2 4.43Å; I77-R98 CarbonylContact O-C 3.19Å; I77-R98 WeakPolarHBondContact O-CB 3.46Å; I77-L99 HydrophobicContact CG2-CD1 4.3Å; I77-L99 PolarHBondContact O-N 3.07Å; I77-L99 VanDerWaalsContact O-N 3.12Å
78	Q	96	Very high	95	Very high	37 Å²	37	28.5 Å²	28.5	17%	0.173	16%	0.157	C	C	.	.			trans	-124.9	-31.3	-177.2	-75.9	169.5	92.1	0	0	113.2	Q54 D76 R98 R100	Q54-Q78 PolarHBondContact O-N 3.48Å; D76-Q78 PolarHBondContact O-N 3.04Å; D76-Q78 PolarHBondContact O-NE2 2.04Å; Q78-R98 HydrophobicContact CG-CB 4.05Å; Q78-R100 HydrophobicContact CB-CG 4.37Å; Q78-R100 PolarHBondContact O-N 2.84Å; Q78-R100 VanDerWaalsContact OE1-NE 3.11Å
79	E	95.7	Very high	95.4	Very high	25 Å²	25	21.6 Å²	21.6	12%	0.117	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	144.3	176	-48.6	-155	176.4	0	0	112.2	Q54 V55 V56 I101 R103	Q54-E79 PolarHBondContact O-N 3.05Å; V55-E79 WeakPolarHBondContact CA-O 3.32Å; V55-E79 HydrophobicContact CG1-CB 4.32Å; V55-E79 HydrophobicContact CG2-CB 4.26Å; V55-E79 HydrophobicContact CG2-CG 4.34Å; V56-E79 PolarHBondContact N-O 3.08Å; E79-I101 HydrophobicContact CB-CG2 3.78Å; E79-I101 HydrophobicContact CG-CG2 3.5Å; E79-I101 VanDerWaalsContact CG-CG2 3.5Å; E79-R103 IonicContact OE1-NH2 2.79Å; E79-R103 PolarHBondContact OE1-NH2 3.34Å; E79-R103 IonicContact OE2-CZ 3.34Å; E79-R103 IonicContact OE2-NE 2.8Å; E79-R103 PolarHBondContact OE2-NE 3.11Å; E79-R103 IonicContact OE2-NH2 2.9Å; E79-R103 PolarHBondContact OE2-NH2 3.35Å
80	V	97	Very high	95.5	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	126.3	169.9	176.3	0	0	0	0	109	V56 L60 I77 Y83 V84 L99 I101 V102 R103	V56-V80 HydrophobicContact CB-CG1 4.46Å; V56-V80 HydrophobicContact CB-CG2 4.13Å; V56-V80 HydrophobicContact CG2-CG2 4.14Å; L60-V80 HydrophobicContact CB-CG1 4.14Å; L60-V80 HydrophobicContact CB-CG2 3.95Å; L60-V80 HydrophobicContact CD2-CG2 4Å; I77-V80 HydrophobicContact CG2-CG2 4.22Å; V80-Y83 WeakPolarHBondContact CG1-O 3.47Å; V80-V84 HydrophobicContact CB-CG2 4.12Å; V80-V84 HydrophobicContact CG1-CG2 4.01Å; V80-V84 HydrophobicContact CG2-CG2 3.99Å; V80-L99 HydrophobicContact CB-CD1 4.47Å; V80-L99 HydrophobicContact CG2-CD1 3.81Å; V80-I101 PolarHBondContact N-O 2.89Å; V80-I101 VanDerWaalsContact N-O 3.15Å; V80-V102 HydrophobicContact CB-CG1 4.48Å; V80-V102 WeakPolarHBondContact O-CA 3.38Å; V80-R103 PolarHBondContact O-N 2.83Å
81	Q	94.5	Very high	95.5	Very high	30 Å²	30	20.2 Å²	20.2	14%	0.14	10%	0.104	C	C	.	.	S	Bend	trans	-75.7	-44.6	-174.9	-164	77.1	15.6	0	0	112.2	V56 R103 G104 T105	V56-Q81 WeakPolarHBondContact O-CB 3.09Å; V56-Q81 PolarHBondContact O-N 3.2Å; Q81-R103 CarbonylContact O-C 3.59Å; Q81-R103 WeakPolarHBondContact O-CB 3.35Å; Q81-R103 VanDerWaalsContact OE1-CD 3.3Å; Q81-G104 PolarHBondContact O-N 2.88Å; Q81-G104 VanDerWaalsContact O-N 3.12Å; Q81-T105 HydrophobicContact CG-CG2 4.03Å; Q81-T105 PolarHBondContact O-N 3.32Å; Q81-T105 PolarHBondContact O-OG1 3.47Å; Q81-T105 VanDerWaalsContact O-OG1 3.06Å
82	G	94.7	Very high	95.3	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	12%	0.116	C	C	.	.	S	Bend	trans	-89.1	-128.7	177.4	0	0	0	0	0	112.1	G58 N59 V102 G104 Q106	G58-G82 WeakPolarHBondContact O-CA 3.08Å; G58-G82 PolarHBondContact O-N 2.91Å; N59-G82 WeakPolarHBondContact OD1-CA 3.44Å; G82-V102 WeakPolarHBondContact O-CG1 3.3Å; G82-G104 WeakPolarHBondContact O-CA 3.03Å; G82-G104 PolarHBondContact O-N 2.03Å; G82-G104 VanDerWaalsContact O-N 3.09Å; G82-Q106 CarbonylContact C-O 3.54Å
83	Y	97.7	Very high	95.2	Very high	0 Å²	0	25 Å²	25	0%	0	12%	0.116	C	C	.	.			trans	-105.9	167.2	176	61.4	-99.1	0	0	0	113.3	K32 N59 L60 E61 V80 L85 Q106 F108 A113	K32-Y83 PolarHBondContact NZ-OH 2.86Å; N59-Y83 CarbonylContact C-O 3.54Å; N59-Y83 VanDerWaalsContact CA-O 3.27Å; N59-Y83 WeakPolarHBondContact CA-O 3.49Å; N59-Y83 HydrophobicContact CB-CD1 4.2Å; N59-Y83 HydrophobicContact CB-CD2 3.96Å; N59-Y83 HydrophobicContact CB-CE1 4.06Å; N59-Y83 HydrophobicContact CB-CE2 3.77Å; N59-Y83 HydrophobicContact CB-CG 4.17Å; N59-Y83 WeakPolarHBondContact OD1-CD1 3.4Å; N59-Y83 VanDerWaalsContact OD1-CE1 3.25Å; N59-Y83 WeakPolarHBondContact OD1-CE1 3.26Å; N59-Y83 PolarHBondContact OD1-N 2.76Å; N59-Y83 VanDerWaalsContact OD1-N 3.09Å; L60-Y83 PolarHBondContact N-O 2.98Å; E61-Y83 HydrophobicContact CG-CE2 3.96Å; E61-Y83 WeakPolarHBondContact OE1-CE2 3.37Å; E61-Y83 VanDerWaalsContact OE1-CZ 3.26Å; E61-Y83 PolarHBondContact OE1-OH 3.3Å; V80-Y83 WeakPolarHBondContact CG1-O 3.47Å; Y83-L85 HydrophobicContact CD2-CB 4.1Å; Y83-L85 HydrophobicContact CE2-CB 3.98Å; Y83-Q106 HydrophobicContact CD1-CB 4.15Å; Y83-Q106 HydrophobicContact CE1-CB 4.4Å; Y83-Q106 PolarHBondContact N-O 2.99Å; Y83-F108 HydrophobicContact CD1-CB 4.26Å; Y83-F108 VanDerWaalsContact CD1-N 3.32Å; Y83-F108 HydrophobicContact CD2-CB 3.89Å; Y83-F108 HydrophobicContact CE1-CB 4.42Å; Y83-F108 HydrophobicContact CE2-CB 4.08Å; Y83-F108 HydrophobicContact CE2-CD2 4.01Å; Y83-F108 HydrophobicContact CG-CB 3.99Å; Y83-A113 CarbonylContact C-O 3.29Å; Y83-A113 WeakPolarHBondContact CA-O 3.24Å; Y83-A113 WeakPolarHBondContact CB-O 3.39Å
84	V	98.4	Very high	95.2	Very high	1 Å²	1	25.1 Å²	25.1	1%	0.006	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	123.5	171	-178.7	0	0	0	0	109.1	L60 V80 I86 L99 V102 A113 L114 A115	L60-V84 HydrophobicContact CB-CG2 4.33Å; L60-V84 HydrophobicContact CD2-CG1 4.33Å; L60-V84 HydrophobicContact CD2-CG2 4.5Å; L60-V84 HydrophobicContact CG-CG1 4.49Å; L60-V84 WeakPolarHBondContact O-CA 3.49Å; V80-V84 HydrophobicContact CB-CG2 4.12Å; V80-V84 HydrophobicContact CG1-CG2 4.01Å; V80-V84 HydrophobicContact CG2-CG2 3.99Å; V84-I86 HydrophobicContact CG1-CD1 4.37Å; V84-I86 HydrophobicContact CG1-CG1 4.21Å; V84-L99 HydrophobicContact CG2-CD2 4.2Å; V84-V102 HydrophobicContact CG2-CG1 4.21Å; V84-V102 HydrophobicContact CG2-CG2 3.72Å; V84-A113 PolarHBondContact N-O 2.91Å; V84-L114 HydrophobicContact CB-CD1 3.9Å; V84-L114 HydrophobicContact CG1-CD1 3.9Å; V84-L114 WeakPolarHBondContact O-CA 3.47Å; V84-A115 PolarHBondContact O-N 3.46Å
85	L	98.2	Very high	95.1	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	124.6	177.5	176.5	65.9	0	0	0	109.7	L33 L60 E61 L62 T63 Y83 A87 F108 A115 L117	L33-L85 HydrophobicContact CD2-CD1 4.32Å; L33-L85 HydrophobicContact CD2-CD2 4.22Å; L60-L85 PolarHBondContact O-N 3.46Å; E61-L85 WeakPolarHBondContact CA-O 3.23Å; E61-L85 HydrophobicContact CB-CB 4.33Å; E61-L85 HydrophobicContact CB-CD2 4.44Å; E61-L85 HydrophobicContact CG-CB 4.13Å; E61-L85 HydrophobicContact CG-CD2 4.32Å; L62-L85 PolarHBondContact N-O 2.03Å; T63-L85 HydrophobicContact CG2-CD2 4.11Å; T63-L85 HydrophobicContact CG2-CG 4.28Å; Y83-L85 HydrophobicContact CD2-CB 4.1Å; Y83-L85 HydrophobicContact CE2-CB 3.98Å; L85-A87 HydrophobicContact CD1-CB 4Å; L85-A87 HydrophobicContact CG-CB 4.27Å; L85-F108 HydrophobicContact CD1-CD2 4.03Å; L85-F108 HydrophobicContact CD1-CE1 4.43Å; L85-F108 HydrophobicContact CD1-CE2 3.82Å; L85-F108 HydrophobicContact CD1-CG 4.43Å; L85-F108 HydrophobicContact CD1-CZ 4.04Å; L85-F108 HydrophobicContact CD2-CD2 3.98Å; L85-F108 HydrophobicContact CD2-CE2 3.7Å; L85-F108 HydrophobicContact CG-CD2 4.48Å; L85-F108 HydrophobicContact CG-CE2 4.38Å; L85-A115 CarbonylContact C-O 3.57Å; L85-A115 WeakPolarHBondContact CA-O 3.33Å; L85-A115 HydrophobicContact CD1-CB 3.67Å; L85-L117 HydrophobicContact CD1-CD1 4.28Å
86	I	97.7	Very high	95.2	Very high	1 Å²	1	21.6 Å²	21.6	1%	0.005	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	95.1	176.5	-56.3	177.6	0	0	0	107	L62 V84 N89 V94 L96 A115 V116 L117 N119 L137 L140	L62-I86 HydrophobicContact CD1-CG1 4.5Å; L62-I86 WeakPolarHBondContact O-CA 3.38Å; V84-I86 HydrophobicContact CG1-CD1 4.37Å; V84-I86 HydrophobicContact CG1-CG1 4.21Å; I86-N89 WeakPolarHBondContact CG2-ND2 3.37Å; I86-V94 HydrophobicContact CD1-CG1 4.29Å; I86-V94 HydrophobicContact CG2-CG2 4.28Å; I86-L96 HydrophobicContact CD1-CD1 4.31Å; I86-A115 PolarHBondContact N-O 2.96Å; I86-V116 HydrophobicContact CB-CG1 4.42Å; I86-V116 HydrophobicContact CB-CG2 4.47Å; I86-V116 CarbonylContact O-C 3.57Å; I86-V116 VanDerWaalsContact O-CA 3.3Å; I86-V116 WeakPolarHBondContact O-CA 3.49Å; I86-L117 PolarHBondContact O-N 2.93Å; I86-N119 PolarHBondContact O-ND2 3.24Å; I86-N119 PolarHBondContact O-OD1 3.28Å; I86-L137 HydrophobicContact CG2-CD2 4.23Å; I86-L140 HydrophobicContact CD1-CD2 4.22Å
87	A	96.6	Very high	95.2	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	144.7	-170.6	0	0	0	0	0	116.1	L33 L62 T63 Y64 L85 N89 L117	L33-A87 HydrophobicContact CD2-CB 3.36Å; L62-A87 PolarHBondContact O-N 3.44Å; T63-A87 WeakPolarHBondContact CA-O 3.46Å; T63-A87 HydrophobicContact CG2-CB 4.01Å; Y64-A87 PolarHBondContact N-O 2.83Å; Y64-A87 VanDerWaalsContact N-O 3.14Å; L85-A87 HydrophobicContact CD1-CB 4Å; L85-A87 HydrophobicContact CG-CB 4.27Å; A87-N89 PolarHBondContact N-ND2 2.94Å; A87-N89 VanDerWaalsContact N-ND2 3.17Å; A87-N89 PolarHBondContact O-N 2.99Å; A87-N89 VanDerWaalsContact O-N 3.13Å; A87-N89 PolarHBondContact O-ND2 2.82Å; A87-N89 PolarHBondContact O-OD1 3.12Å; A87-L117 CarbonylContact C-O 3.58Å; A87-L117 WeakPolarHBondContact CA-O 3.1Å; A87-L117 HydrophobicContact CB-CB 4.04Å
88	H	94.6	Very high	95.1	Very high	60 Å²	60	26.1 Å²	26.1	28%	0.278	12%	0.116	S	C	.	.	S	Bend	trans	56.9	22.9	177.1	-59.4	-59.3	0	0	0	115.4	Y64 L117 D118	Y64-H88 HydrophobicContact CD1-CB 3.79Å; Y64-H88 HydrophobicContact CE1-CB 3.71Å; Y64-H88 AromaticContact CE1-CD2 3.81Å; Y64-H88 AromaticContact CE1-CG 3.88Å; Y64-H88 HydrophobicContact CG-CB 4.37Å; Y64-H88 AromaticContact CZ-CD2 3.61Å; Y64-H88 PolarHBondContact OH-CD2 2.97Å; H88-L117 PolarHBondContact N-O 3.38Å; H88-D118 WeakPolarHBondContact CA-O 3.32Å; H88-D118 IonicContact CE1-OD2 3.93Å; H88-D118 VanDerWaalsContact ND1-CB 3.31Å; H88-D118 WeakPolarHBondContact ND1-CB 3.2Å
89	N	94.4	Very high	95.2	Very high	1 Å²	1	24.4 Å²	24.4	1%	0.005	11%	0.108	C	C	.	.			trans	-87.4	138.9	-176.4	-54.5	-67.2	0	0	0	112.7	L62 T63 Y64 L65 I86 A87 V91 N119 G120	L62-N89 PolarHBondContact O-ND2 3.38Å; L62-N89 PolarHBondContact O-OD1 2.72Å; T63-N89 VanDerWaalsContact C-OD1 3.26Å; T63-N89 WeakPolarHBondContact CA-OD1 3.49Å; Y64-N89 PolarHBondContact N-OD1 3.17Å; L65-N89 HydrophobicContact CB-CB 4.46Å; L65-N89 WeakPolarHBondContact CB-OD1 3.22Å; L65-N89 WeakPolarHBondContact CD1-OD1 3.45Å; L65-N89 PolarHBondContact N-OD1 3.5Å; I86-N89 WeakPolarHBondContact CG2-ND2 3.37Å; A87-N89 PolarHBondContact N-ND2 2.94Å; A87-N89 VanDerWaalsContact N-ND2 3.17Å; A87-N89 PolarHBondContact O-N 2.99Å; A87-N89 VanDerWaalsContact O-N 3.13Å; A87-N89 PolarHBondContact O-ND2 2.82Å; A87-N89 PolarHBondContact O-OD1 3.12Å; N89-V91 HydrophobicContact CB-CG1 4.05Å; N89-N119 WeakPolarHBondContact CB-OD1 3.43Å; N89-N119 PolarHBondContact N-OD1 2.04Å; N89-N119 PolarHBondContact ND2-OD1 2.87Å; N89-N119 CarbonylContact O-C 3.51Å; N89-N119 VanDerWaalsContact O-C 3.31Å; N89-N119 VanDerWaalsContact O-CA 3.26Å; N89-N119 WeakPolarHBondContact O-CA 3.05Å; N89-G120 PolarHBondContact O-N 2.83Å
90	Q	91.8	Very high	95.2	Very high	54 Å²	54	26.3 Å²	26.3	25%	0.252	11%	0.114	S	C	.	.			trans	-97.1	-8.2	173.1	-57.3	-59.2	-29.5	0	0	112.6	L65 T67 D121 G136	L65-Q90 PolarHBondContact O-N 3.5Å; T67-Q90 WeakPolarHBondContact CA-O 3.43Å; T67-Q90 WeakPolarHBondContact OG1-CB 3.31Å; Q90-D121 VanDerWaalsContact NE2-N 3.19Å; Q90-G136 PolarHBondContact O-N 3.04Å
91	V	92.8	Very high	95.2	Very high	8 Å²	8	26.3 Å²	26.3	5%	0.048	11%	0.114	C	C	.	.			trans	-59.1	144.4	172.8	79.5	0	0	0	0	111.6	L65 L71 N89 V94 G136 L137	L65-V91 PolarHBondContact O-N 3.13Å; L71-V91 HydrophobicContact CD1-CB 4.42Å; L71-V91 HydrophobicContact CD1-CG1 3.96Å; L71-V91 HydrophobicContact CD1-CG2 3.95Å; L71-V91 HydrophobicContact CG-CG2 4.36Å; N89-V91 HydrophobicContact CB-CG1 4.05Å; V91-V94 HydrophobicContact CG1-CG2 3.86Å; V91-G136 CarbonylContact O-C 3.47Å; V91-G136 VanDerWaalsContact O-C 3.29Å; V91-L137 PolarHBondContact O-N 3.07Å
92	R	90.9	Very high	95.4	Very high	80 Å²	80	24.9 Å²	24.9	30%	0.302	11%	0.107	S	C	.	.	S	Bend	trans	-82	-21	-173.4	-66.2	174.7	178.9	141	-1.5	114.6	A132 S133 G136 R138	R92-A132 PolarHBondContact NH2-O 3.03Å; R92-S133 PolarHBondContact NH2-O 2.96Å; R92-S133 PolarHBondContact NH2-OG 2.81Å; R92-G136 WeakPolarHBondContact CA-O 3.06Å; R92-R138 HydrophobicContact CB-CG 4.48Å; R92-R138 WeakPolarHBondContact O-CB 3.17Å; R92-R138 PolarHBondContact O-N 2.87Å
93	Q	91.6	Very high	95.5	Very high	92 Å²	92	25.7 Å²	25.7	43%	0.43	11%	0.11	S	C	.	.	B	Isolated β-bridge	trans	-157.9	138.9	-169.3	-173.9	-175	-0	0	0	108.7
94	V	94.6	Very high	95.3	Very high	4 Å²	4	25.7 Å²	25.7	2%	0.024	11%	0.11	C	C	.	.			trans	-119.5	110	176.4	174.3	0	0	0	0	107.8	L62 L71 L74 I86 V91 L96 L137	L62-V94 HydrophobicContact CD1-CG1 3.63Å; L71-V94 HydrophobicContact CD1-CG2 4.11Å; L74-V94 HydrophobicContact CD1-CG1 4.01Å; I86-V94 HydrophobicContact CD1-CG1 4.29Å; I86-V94 HydrophobicContact CG2-CG2 4.28Å; V91-V94 HydrophobicContact CG1-CG2 3.86Å; V94-L96 VanDerWaalsContact C-N 3.34Å; V94-L96 HydrophobicContact CG1-CD1 3.79Å; V94-L96 HydrophobicContact CG1-CG 3.99Å; V94-L96 PolarHBondContact O-N 3.25Å; V94-L137 HydrophobicContact CB-CD1 4.42Å; V94-L137 HydrophobicContact CG2-CD1 3.99Å
95	P	94.4	Very high	95	Very high	12 Å²	12	29.5 Å²	29.5	8%	0.078	13%	0.134	C	C	.	.			trans	-85.2	72.6	-165.4	35	-37.3	0	0	0	112.7	L71 Q75 Q97	L71-P95 HydrophobicContact CB-CG 4.05Å; L71-P95 WeakPolarHBondContact O-CG 3.14Å; Q75-P95 HydrophobicContact CG-CB 3.99Å; Q75-P95 HydrophobicContact CG-CG 4.24Å; P95-Q97 PolarHBondContact O-OE1 3.46Å
96	L	96.1	Very high	94.7	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	15%	0.153	C	C	.	.			trans	-100.3	33.2	176.1	-70.6	168.8	0	0	0	112.3	L60 L62 L74 I77 I86 V94 R98 L99 L142	L60-L96 HydrophobicContact CD2-CD1 3.95Å; L60-L96 HydrophobicContact CD2-CD2 3.79Å; L62-L96 HydrophobicContact CD1-CD1 4.19Å; L74-L96 HydrophobicContact CB-CD2 4.01Å; I77-L96 HydrophobicContact CB-CD2 4.19Å; I77-L96 HydrophobicContact CD1-CD2 4.04Å; I77-L96 HydrophobicContact CG2-CD2 4.43Å; I86-L96 HydrophobicContact CD1-CD1 4.31Å; V94-L96 VanDerWaalsContact C-N 3.34Å; V94-L96 HydrophobicContact CG1-CD1 3.79Å; V94-L96 HydrophobicContact CG1-CG 3.99Å; V94-L96 PolarHBondContact O-N 3.25Å; L96-R98 PolarHBondContact O-N 2.79Å; L96-L99 HydrophobicContact CB-CB 4.38Å; L96-L99 WeakPolarHBondContact O-CB 3.36Å; L96-L99 PolarHBondContact O-N 3.05Å; L96-L99 VanDerWaalsContact O-N 3.08Å; L96-L142 HydrophobicContact CB-CD2 3.59Å; L96-L142 HydrophobicContact CD1-CD2 4.42Å
97	Q	94.6	Very high	94.6	Very high	32 Å²	32	34.6 Å²	34.6	15%	0.15	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-16.8	-171.8	-61.9	86.7	-1.4	0	0	114.6	P95 Q141 R143 S144	P95-Q97 PolarHBondContact O-OE1 3.46Å; Q97-Q141 WeakPolarHBondContact CA-O 3.22Å; Q97-Q141 HydrophobicContact CG-CB 4.12Å; Q97-R143 HydrophobicContact CB-CG 4.1Å; Q97-R143 WeakPolarHBondContact O-CG 3.38Å; Q97-S144 VanDerWaalsContact O-CB 3.31Å; Q97-S144 WeakPolarHBondContact O-CB 3.07Å; Q97-S144 PolarHBondContact O-OG 3.48Å
98	R	95.9	Very high	94.6	Very high	111 Å²	111	35 Å²	35	42%	0.419	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97	-9.4	177.8	-65.3	-163	-165	151.3	12.3	114.7	Q75 D76 I77 Q78 L96 R100	Q75-R98 WeakPolarHBondContact O-CD 3.44Å; Q75-R98 VanDerWaalsContact O-CG 3.31Å; Q75-R98 WeakPolarHBondContact O-CG 3.49Å; Q75-R98 PolarHBondContact O-NE 3.49Å; D76-R98 IonicContact OD1-CZ 2.77Å; D76-R98 IonicContact OD1-NH1 3.79Å; D76-R98 PolarHBondContact OD1-NH1 3.06Å; D76-R98 IonicContact OD1-NH2 3.21Å; I77-R98 CarbonylContact O-C 3.19Å; I77-R98 WeakPolarHBondContact O-CB 3.46Å; Q78-R98 HydrophobicContact CG-CB 4.05Å; L96-R98 PolarHBondContact O-N 2.79Å; R98-R100 VanDerWaalsContact O-CG 3.23Å; R98-R100 WeakPolarHBondContact O-CG 2.99Å; R98-R100 PolarHBondContact O-N 3.5Å; R98-R100 VanDerWaalsContact O-N 3.14Å
99	L	97.2	Very high	94.5	Very high	1 Å²	1	37.1 Å²	37.1	1%	0.005	17%	0.17	C	C	.	.			trans	-59.9	116.9	179	178.3	62	0	0	0	109.7	I77 V80 V84 L96 V102 L142 S144 L145	I77-L99 HydrophobicContact CG2-CD1 4.3Å; I77-L99 PolarHBondContact O-N 3.07Å; I77-L99 VanDerWaalsContact O-N 3.12Å; V80-L99 HydrophobicContact CB-CD1 4.47Å; V80-L99 HydrophobicContact CG2-CD1 3.81Å; V84-L99 HydrophobicContact CG2-CD2 4.2Å; L96-L99 HydrophobicContact CB-CB 4.38Å; L96-L99 WeakPolarHBondContact O-CB 3.36Å; L96-L99 PolarHBondContact O-N 3.05Å; L96-L99 VanDerWaalsContact O-N 3.08Å; L99-V102 HydrophobicContact CD1-CG2 4.44Å; L99-V102 HydrophobicContact CD2-CG2 4.13Å; L99-L142 HydrophobicContact CD2-CD2 4.41Å; L99-S144 CarbonylContact O-C 3.57Å; L99-S144 VanDerWaalsContact O-CB 3.31Å; L99-S144 WeakPolarHBondContact O-CB 3.06Å; L99-L145 VanDerWaalsContact O-CA 3.24Å; L99-L145 WeakPolarHBondContact O-CA 3.45Å; L99-L145 PolarHBondContact O-N 3.15Å
100	R	96.4	Very high	94.3	Very high	65 Å²	65	43.7 Å²	43.7	25%	0.245	21%	0.205	C	C	.	.			trans	-98	-40.9	-174.5	-48.7	-175.5	-172.2	-79.7	0.7	112.4	Q78 R98 S144 T146 E147 A242 L253	Q78-R100 HydrophobicContact CB-CG 4.37Å; Q78-R100 PolarHBondContact O-N 2.84Å; Q78-R100 VanDerWaalsContact OE1-NE 3.11Å; R98-R100 VanDerWaalsContact O-CG 3.23Å; R98-R100 WeakPolarHBondContact O-CG 2.99Å; R98-R100 PolarHBondContact O-N 3.5Å; R98-R100 VanDerWaalsContact O-N 3.14Å; R100-S144 WeakPolarHBondContact CA-O 3.19Å; R100-T146 PolarHBondContact O-N 2.96Å; R100-T146 VanDerWaalsContact O-N 3.08Å; R100-E147 PolarHBondContact O-N 2.97Å; R100-A242 HydrophobicContact CB-CB 4.03Å; R100-L253 WeakPolarHBondContact CD-O 3.1Å
101	I	96.9	Very high	94.4	Very high	0 Å²	0	44 Å²	44	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	137.8	-167.6	-175.6	167.2	0	0	0	111.5	E79 V80 R103 E147 L149 A241 A254	E79-I101 HydrophobicContact CB-CG2 3.78Å; E79-I101 HydrophobicContact CG-CG2 3.5Å; E79-I101 VanDerWaalsContact CG-CG2 3.5Å; V80-I101 PolarHBondContact N-O 2.89Å; V80-I101 VanDerWaalsContact N-O 3.15Å; I101-R103 HydrophobicContact CD1-CG 4.09Å; I101-R103 HydrophobicContact CG1-CG 4.04Å; I101-E147 WeakPolarHBondContact CA-O 3.37Å; I101-E147 HydrophobicContact CB-CB 4.16Å; I101-E147 HydrophobicContact CD1-CB 4.14Å; I101-E147 HydrophobicContact CD1-CG 3.7Å; I101-E147 HydrophobicContact CG1-CB 3.88Å; I101-E147 HydrophobicContact CG1-CG 3.8Å; I101-L149 HydrophobicContact CD1-CD1 4.05Å; I101-L149 HydrophobicContact CD1-CD2 4.33Å; I101-L149 HydrophobicContact CD1-CG 4.03Å; I101-L149 HydrophobicContact CG1-CG 4.48Å; I101-A241 HydrophobicContact CD1-CB 3.78Å; I101-A254 HydrophobicContact CB-CB 4.43Å; I101-A254 HydrophobicContact CD1-CB 4.4Å; I101-A254 HydrophobicContact CG2-CB 3.97Å
102	V	97.8	Very high	94.7	Very high	1 Å²	1	44.8 Å²	44.8	1%	0.006	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	119.6	164.5	-174.5	0	0	0	0	107.8	V80 G82 V84 L99 A113 L145 E147 I148 L149	V80-V102 HydrophobicContact CB-CG1 4.48Å; V80-V102 WeakPolarHBondContact O-CA 3.38Å; G82-V102 WeakPolarHBondContact O-CG1 3.3Å; V84-V102 HydrophobicContact CG2-CG1 4.21Å; V84-V102 HydrophobicContact CG2-CG2 3.72Å; L99-V102 HydrophobicContact CD1-CG2 4.44Å; L99-V102 HydrophobicContact CD2-CG2 4.13Å; V102-A113 HydrophobicContact CG1-CB 4.13Å; V102-L145 HydrophobicContact CG2-CD1 4.16Å; V102-E147 PolarHBondContact N-O 2.92Å; V102-I148 HydrophobicContact CB-CG1 4.36Å; V102-I148 WeakPolarHBondContact O-CA 3.42Å; V102-L149 PolarHBondContact O-N 3.23Å
103	R	96.2	Very high	95	Very high	16 Å²	16	41 Å²	41	6%	0.06	20%	0.196	C	C	.	.			trans	-85.7	-21.4	-169.8	-61.9	176.4	174.1	-83.4	-1.7	113.1	E79 V80 Q81 I101 T105 L149 C255 L256	E79-R103 IonicContact OE1-NH2 2.79Å; E79-R103 PolarHBondContact OE1-NH2 3.34Å; E79-R103 IonicContact OE2-CZ 3.34Å; E79-R103 IonicContact OE2-NE 2.8Å; E79-R103 PolarHBondContact OE2-NE 3.11Å; E79-R103 IonicContact OE2-NH2 2.9Å; E79-R103 PolarHBondContact OE2-NH2 3.35Å; V80-R103 PolarHBondContact O-N 2.83Å; Q81-R103 CarbonylContact O-C 3.59Å; Q81-R103 WeakPolarHBondContact O-CB 3.35Å; Q81-R103 VanDerWaalsContact OE1-CD 3.3Å; I101-R103 HydrophobicContact CD1-CG 4.09Å; I101-R103 HydrophobicContact CG1-CG 4.04Å; R103-T105 VanDerWaalsContact C-N 3.34Å; R103-T105 PolarHBondContact O-N 3.15Å; R103-L149 HydrophobicContact CB-CD1 4.15Å; R103-L149 HydrophobicContact CG-CD1 3.97Å; R103-C255 PolarHBondContact NH1-O 2.97Å; R103-C255 PolarHBondContact NH2-O 3.16Å; R103-L256 PolarHBondContact NH1-O 3.34Å
104	G	94.6	Very high	95.3	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	18%	0.176	C	C	.	.			trans	65.6	31	171.4	0	0	0	0	0	114.5	Q81 G82 Q106	Q81-G104 PolarHBondContact O-N 2.88Å; Q81-G104 VanDerWaalsContact O-N 3.12Å; G82-G104 WeakPolarHBondContact O-CA 3.03Å; G82-G104 PolarHBondContact O-N 2.03Å; G82-G104 VanDerWaalsContact O-N 3.09Å; G104-Q106 VanDerWaalsContact C-N 3.27Å; G104-Q106 CarbonylContact C-O 3.35Å; G104-Q106 PolarHBondContact O-N 2.92Å
105	T	91.9	Very high	95.5	Very high	82 Å²	82	36.5 Å²	36.5	50%	0.503	18%	0.175	S	C	.	.	S	Bend	trans	-65.3	-35.9	176.6	62.2	0	0	0	0	111.6	Q81 R103	Q81-T105 HydrophobicContact CG-CG2 4.03Å; Q81-T105 PolarHBondContact O-N 3.32Å; Q81-T105 PolarHBondContact O-OG1 3.47Å; Q81-T105 VanDerWaalsContact O-OG1 3.06Å; R103-T105 VanDerWaalsContact C-N 3.34Å; R103-T105 PolarHBondContact O-N 3.15Å
106	Q	92.7	Very high	95.6	Very high	88 Å²	88	36 Å²	36	41%	0.411	17%	0.172	S	C	.	.	S	Bend	trans	-108.7	154	161.8	-59.3	-177.9	25.8	0	0	108.9	N59 G82 Y83 G104	N59-Q106 PolarHBondContact ND2-OE1 3.03Å; N59-Q106 PolarHBondContact OD1-OE1 3.03Å; G82-Q106 CarbonylContact C-O 3.54Å; Y83-Q106 HydrophobicContact CD1-CB 4.15Å; Y83-Q106 HydrophobicContact CE1-CB 4.4Å; Y83-Q106 PolarHBondContact N-O 2.99Å; G104-Q106 VanDerWaalsContact C-N 3.27Å; G104-Q106 CarbonylContact C-O 3.35Å; G104-Q106 PolarHBondContact O-N 2.92Å
107	L	95.7	Very high	95.6	Very high	20 Å²	20	36.1 Å²	36.1	11%	0.105	17%	0.173	C	C	.	.			trans	-132.5	144	179.7	-63.3	175.9	0	0	0	110.9	D110 Y112 A113 K150 L179	L107-D110 VanDerWaalsContact CD1-O 3.27Å; L107-D110 WeakPolarHBondContact CD1-O 3.03Å; L107-Y112 CarbonylContact C-O 3.59Å; L107-Y112 WeakPolarHBondContact CA-O 3.42Å; L107-A113 HydrophobicContact CD2-CB 3.9Å; L107-K150 HydrophobicContact CD1-CD 4.49Å; L107-K150 HydrophobicContact CD1-CG 4.39Å; L107-L179 HydrophobicContact CD1-CD1 3.64Å
108	F	95.6	Very high	95.6	Very high	7 Å²	7	36.6 Å²	36.6	3%	0.031	18%	0.176	C	C	.	.	B	Isolated β-bridge	trans	-76.1	133.8	170.6	-175	-94.5	0	0	0	109.1	K32 L33 Y83 L85 D110 N111 Y112 A115 L117	K32-F108 HydrophobicContact CB-CE2 4.3Å; L33-F108 HydrophobicContact CD1-CZ 4.03Å; L33-F108 HydrophobicContact CD2-CZ 4.47Å; L33-F108 HydrophobicContact CG-CE2 4.28Å; L33-F108 HydrophobicContact CG-CZ 4Å; Y83-F108 HydrophobicContact CD1-CB 4.26Å; Y83-F108 VanDerWaalsContact CD1-N 3.32Å; Y83-F108 HydrophobicContact CD2-CB 3.89Å; Y83-F108 HydrophobicContact CE1-CB 4.42Å; Y83-F108 HydrophobicContact CE2-CB 4.08Å; Y83-F108 HydrophobicContact CE2-CD2 4.01Å; Y83-F108 HydrophobicContact CG-CB 3.99Å; L85-F108 HydrophobicContact CD1-CD2 4.03Å; L85-F108 HydrophobicContact CD1-CE1 4.43Å; L85-F108 HydrophobicContact CD1-CE2 3.82Å; L85-F108 HydrophobicContact CD1-CG 4.43Å; L85-F108 HydrophobicContact CD1-CZ 4.04Å; L85-F108 HydrophobicContact CD2-CD2 3.98Å; L85-F108 HydrophobicContact CD2-CE2 3.7Å; L85-F108 HydrophobicContact CG-CD2 4.48Å; L85-F108 HydrophobicContact CG-CE2 4.38Å; F108-D110 PolarHBondContact O-N 3.44Å; F108-D110 VanDerWaalsContact O-N 3.15Å; F108-N111 PolarHBondContact O-N 3.27Å; F108-N111 VanDerWaalsContact O-N 3.16Å; F108-Y112 PolarHBondContact N-O 2.04Å; F108-Y112 PolarHBondContact O-N 3.03Å; F108-A115 HydrophobicContact CB-CB 4.4Å; F108-A115 HydrophobicContact CD1-CB 3.74Å; F108-A115 HydrophobicContact CE1-CB 4.25Å; F108-A115 HydrophobicContact CG-CB 4.11Å; F108-L117 HydrophobicContact CE1-CD1 3.91Å; F108-L117 HydrophobicContact CZ-CD1 4.1Å
109	E	92.9	Very high	95.4	Very high	106 Å²	106	31.3 Å²	31.3	50%	0.495	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.5	36.1	-171.2	-65.4	170.7	-179.4	0	0	112.7	N111 Y112	E109-N111 PolarHBondContact O-N 3.25Å; E109-N111 PolarHBondContact O-ND2 3.25Å; E109-Y112 HydrophobicContact CB-CD2 4.16Å; E109-Y112 HydrophobicContact CB-CE2 4.3Å
110	D	89.4	Confident	94.7	Very high	139 Å²	139	31.6 Å²	31.6	74%	0.743	16%	0.16	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.4	-0.2	-176.3	-66.9	-64	0	0	0	116.7	L107 F108	L107-D110 VanDerWaalsContact CD1-O 3.27Å; L107-D110 WeakPolarHBondContact CD1-O 3.03Å; F108-D110 PolarHBondContact O-N 3.44Å; F108-D110 VanDerWaalsContact O-N 3.15Å
111	N	95.1	Very high	93.4	Very high	60 Å²	60	31.8 Å²	31.8	32%	0.321	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-124.6	-32.4	-169.9	-73.8	-85.3	0	0	0	113.9	F108 E109 G151 G152	F108-N111 PolarHBondContact O-N 3.27Å; F108-N111 VanDerWaalsContact O-N 3.16Å; E109-N111 PolarHBondContact O-N 3.25Å; E109-N111 PolarHBondContact O-ND2 3.25Å; N111-G151 CarbonylContact O-C 3.55Å; N111-G151 WeakPolarHBondContact O-CA 3.45Å; N111-G152 PolarHBondContact O-N 2.89Å
112	Y	97.6	Very high	91.7	Very high	25 Å²	25	36.8 Å²	36.8	10%	0.098	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	131.4	-167.3	-52.4	-69	0	0	0	113	L107 F108 E109 G152 L154 L183	L107-Y112 CarbonylContact C-O 3.59Å; L107-Y112 WeakPolarHBondContact CA-O 3.42Å; F108-Y112 PolarHBondContact N-O 2.04Å; F108-Y112 PolarHBondContact O-N 3.03Å; E109-Y112 HydrophobicContact CB-CD2 4.16Å; E109-Y112 HydrophobicContact CB-CE2 4.3Å; Y112-G152 WeakPolarHBondContact CA-O 3.32Å; Y112-L154 HydrophobicContact CD1-CB 3.74Å; Y112-L154 HydrophobicContact CD2-CB 3.99Å; Y112-L154 HydrophobicContact CD2-CD2 3.88Å; Y112-L154 HydrophobicContact CD2-CG 4.49Å; Y112-L154 HydrophobicContact CE1-CB 3.95Å; Y112-L154 HydrophobicContact CE1-CD1 4.46Å; Y112-L154 HydrophobicContact CE2-CB 4.2Å; Y112-L154 HydrophobicContact CE2-CD1 4.43Å; Y112-L154 HydrophobicContact CE2-CD2 3.78Å; Y112-L154 HydrophobicContact CE2-CG 4.36Å; Y112-L154 HydrophobicContact CG-CB 3.74Å; Y112-L154 HydrophobicContact CG-CD2 4.49Å; Y112-L183 HydrophobicContact CE1-CD1 4.5Å
113	A	97.7	Very high	89.8	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	-20.1	172.2	0	0	0	0	0	112.4	Y83 V84 V102 L107 I148 K150 G152	Y83-A113 CarbonylContact C-O 3.29Å; Y83-A113 WeakPolarHBondContact CA-O 3.24Å; Y83-A113 WeakPolarHBondContact CB-O 3.39Å; V84-A113 PolarHBondContact N-O 2.91Å; V102-A113 HydrophobicContact CG1-CB 4.13Å; L107-A113 HydrophobicContact CD2-CB 3.9Å; A113-I148 HydrophobicContact CB-CG2 3.72Å; A113-K150 VanDerWaalsContact CB-O 3.29Å; A113-K150 WeakPolarHBondContact CB-O 3.33Å; A113-G152 PolarHBondContact N-O 2.85Å
114	L	98.3	Very high	87.9	Confident	2 Å²	2	46.7 Å²	46.7	1%	0.01	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	119.5	172.1	175	62.6	0	0	0	109.4	V84 V116 L142 L145 G152 V153 L154 W169	V84-L114 HydrophobicContact CB-CD1 3.9Å; V84-L114 HydrophobicContact CG1-CD1 3.9Å; V84-L114 WeakPolarHBondContact O-CA 3.47Å; L114-V116 HydrophobicContact CD1-CG2 3.98Å; L114-V116 HydrophobicContact CG-CG2 4.22Å; L114-L142 HydrophobicContact CD2-CD1 4.08Å; L114-L145 HydrophobicContact CD2-CD2 4.47Å; L114-G152 PolarHBondContact N-O 3.03Å; L114-V153 HydrophobicContact CB-CG2 4.29Å; L114-V153 HydrophobicContact CD2-CG1 4.23Å; L114-V153 HydrophobicContact CG-CG1 4.47Å; L114-V153 WeakPolarHBondContact O-CA 3.03Å; L114-L154 PolarHBondContact O-N 2.92Å; L114-W169 HydrophobicContact CD2-CH2 3.87Å; L114-W169 HydrophobicContact CD2-CZ3 3.93Å
115	A	98.1	Very high	86	Confident	0 Å²	0	53 Å²	53	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	125.3	177.4	0	0	0	0	0	110.5	V84 L85 I86 F108 L154	V84-A115 PolarHBondContact O-N 3.46Å; L85-A115 CarbonylContact C-O 3.57Å; L85-A115 WeakPolarHBondContact CA-O 3.33Å; L85-A115 HydrophobicContact CD1-CB 3.67Å; I86-A115 PolarHBondContact N-O 2.96Å; F108-A115 HydrophobicContact CB-CB 4.4Å; F108-A115 HydrophobicContact CD1-CB 3.74Å; F108-A115 HydrophobicContact CE1-CB 4.25Å; F108-A115 HydrophobicContact CG-CB 4.11Å; A115-L154 CarbonylContact C-O 3.43Å; A115-L154 VanDerWaalsContact CA-O 3.3Å; A115-L154 WeakPolarHBondContact CA-O 3.07Å
116	V	97.6	Very high	84.5	Confident	0 Å²	0	54.2 Å²	54.2	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	99.4	-177.1	-173.2	0	0	0	0	109.3	I86 L114 L137 L140 L154 I155 Q156 N158 L161	I86-V116 HydrophobicContact CB-CG1 4.42Å; I86-V116 HydrophobicContact CB-CG2 4.47Å; I86-V116 CarbonylContact O-C 3.57Å; I86-V116 VanDerWaalsContact O-CA 3.3Å; I86-V116 WeakPolarHBondContact O-CA 3.49Å; L114-V116 HydrophobicContact CD1-CG2 3.98Å; L114-V116 HydrophobicContact CG-CG2 4.22Å; V116-L137 HydrophobicContact CG1-CD2 3.97Å; V116-L140 HydrophobicContact CG1-CD2 4.23Å; V116-L140 HydrophobicContact CG2-CD1 4.45Å; V116-L140 HydrophobicContact CG2-CD2 3.98Å; V116-L154 PolarHBondContact N-O 3.33Å; V116-I155 HydrophobicContact CB-CG1 4.14Å; V116-I155 HydrophobicContact CB-CG2 4.31Å; V116-I155 HydrophobicContact CG2-CG1 4.32Å; V116-I155 CarbonylContact O-C 3.55Å; V116-I155 WeakPolarHBondContact O-CA 3.23Å; V116-Q156 PolarHBondContact O-N 3.28Å; V116-N158 PolarHBondContact O-ND2 2.85Å; V116-L161 HydrophobicContact CG1-CD2 4.44Å
117	L	96.2	Very high	82.9	Confident	4 Å²	4	53.2 Å²	53.2	2%	0.021	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	134.3	-161.9	-51.7	177.5	0	0	0	112.6	L33 L85 I86 A87 H88 F108 N119 L154 Q156	L33-L117 HydrophobicContact CD1-CD1 4.36Å; L33-L117 HydrophobicContact CD2-CD1 4.45Å; L85-L117 HydrophobicContact CD1-CD1 4.28Å; I86-L117 PolarHBondContact O-N 2.93Å; A87-L117 CarbonylContact C-O 3.58Å; A87-L117 WeakPolarHBondContact CA-O 3.1Å; A87-L117 HydrophobicContact CB-CB 4.04Å; H88-L117 PolarHBondContact N-O 3.38Å; F108-L117 HydrophobicContact CE1-CD1 3.91Å; F108-L117 HydrophobicContact CZ-CD1 4.1Å; L117-N119 PolarHBondContact N-ND2 2.82Å; L117-N119 PolarHBondContact O-N 2.95Å; L117-N119 PolarHBondContact O-ND2 2.67Å; L117-N119 VanDerWaalsContact O-ND2 3.08Å; L117-L154 HydrophobicContact CD2-CD2 3.77Å; L117-L154 HydrophobicContact CD2-CG 3.84Å; L117-Q156 CarbonylContact C-O 3.55Å; L117-Q156 WeakPolarHBondContact CA-O 3.12Å; L117-Q156 HydrophobicContact CD2-CB 4.07Å; L117-Q156 HydrophobicContact CD2-CG 4.49Å
118	D	94.2	Very high	81.1	Confident	41 Å²	41	56.8 Å²	56.8	22%	0.219	32%	0.317	C	S	.	.			trans	57.2	28.2	163.5	-63.3	-82.2	0	0	0	115.3	H88 G120 Q156 R157	H88-D118 WeakPolarHBondContact CA-O 3.32Å; H88-D118 IonicContact CE1-OD2 3.93Å; H88-D118 VanDerWaalsContact ND1-CB 3.31Å; H88-D118 WeakPolarHBondContact ND1-CB 3.2Å; D118-G120 VanDerWaalsContact C-N 3.33Å; D118-G120 PolarHBondContact O-N 2.84Å; D118-Q156 PolarHBondContact N-O 3.37Å; D118-R157 VanDerWaalsContact CA-O 3.26Å; D118-R157 WeakPolarHBondContact CA-O 3.28Å; D118-R157 VanDerWaalsContact CG-NE 3.34Å; D118-R157 WeakPolarHBondContact OD1-CD 3.15Å; D118-R157 IonicContact OD1-CZ 3.25Å; D118-R157 IonicContact OD1-NE 2.57Å; D118-R157 PolarHBondContact OD1-NE 3Å; D118-R157 IonicContact OD1-NH2 3.13Å; D118-R157 IonicContact OD2-CZ 2.62Å; D118-R157 IonicContact OD2-NE 2.79Å; D118-R157 PolarHBondContact OD2-NE 3.14Å; D118-R157 IonicContact OD2-NH2 2.64Å; D118-R157 PolarHBondContact OD2-NH2 2.99Å
119	N	92.1	Very high	79.3	Confident	0 Å²	0	63.3 Å²	63.3	0%	0	36%	0.357	C	S	.	.			trans	-83.8	74.6	-176.8	-58.2	-80.5	0	0	0	111.8	I86 N89 L117 G136 L137 N158	I86-N119 PolarHBondContact O-ND2 3.24Å; I86-N119 PolarHBondContact O-OD1 3.28Å; N89-N119 WeakPolarHBondContact CB-OD1 3.43Å; N89-N119 PolarHBondContact N-OD1 2.04Å; N89-N119 PolarHBondContact ND2-OD1 2.87Å; N89-N119 CarbonylContact O-C 3.51Å; N89-N119 VanDerWaalsContact O-C 3.31Å; N89-N119 VanDerWaalsContact O-CA 3.26Å; N89-N119 WeakPolarHBondContact O-CA 3.05Å; L117-N119 PolarHBondContact N-ND2 2.82Å; L117-N119 PolarHBondContact O-N 2.95Å; L117-N119 PolarHBondContact O-ND2 2.67Å; L117-N119 VanDerWaalsContact O-ND2 3.08Å; N119-G136 CarbonylContact O-C 3.58Å; N119-G136 WeakPolarHBondContact O-CA 3.38Å; N119-L137 HydrophobicContact CB-CB 3.67Å; N119-L137 PolarHBondContact O-N 3.1Å; N119-N158 VanDerWaalsContact CB-OD1 3.27Å; N119-N158 WeakPolarHBondContact CB-OD1 3.45Å; N119-N158 PolarHBondContact N-OD1 3.48Å; N119-N158 PolarHBondContact ND2-OD1 3.27Å
120	G	82.3	Confident	77.7	Confident	8 Å²	8	64.8 Å²	64.8	8%	0.082	37%	0.374	C	S	.	.	S	Bend	trans	153.7	127.9	171.3	0	0	0	0	0	112.1	N89 D118	N89-G120 PolarHBondContact O-N 2.83Å; D118-G120 VanDerWaalsContact C-N 3.33Å; D118-G120 PolarHBondContact O-N 2.84Å
121	D	68.8	Low	76.1	Confident	68 Å²	68	59.7 Å²	59.7	36%	0.364	35%	0.354	S	S	.	.			trans	-62.3	133.3	179.2	-176	39.2	0	0	0	112.5	Q90 L123	Q90-D121 VanDerWaalsContact NE2-N 3.19Å; D121-L123 PolarHBondContact O-N 2.73Å
122	P	61.5	Low	74.4	Confident	106 Å²	106	61 Å²	61	69%	0.688	37%	0.373	S	S	*	.			trans	-63.4	77.2	161.4	-21.4	35.1	0	0	0	111	N124	P122-N124 PolarHBondContact O-N 3.22Å
123	L	57.1	Low	72.9	Confident	82 Å²	82	62.6 Å²	62.6	43%	0.429	39%	0.388	S	S	.	.			trans	-46.4	92.4	-161.2	-160.3	87.9	0	0	0	114.9	D121 N125	D121-L123 PolarHBondContact O-N 2.73Å; L123-N125 PolarHBondContact O-N 2.97Å
124	N	55.3	Low	71.7	Confident	142 Å²	142	65 Å²	65	76%	0.759	40%	0.404	S	S	*	.			trans	-77	43.1	-178.8	-94.7	-34.8	0	0	0	113	P122 T126	P122-N124 PolarHBondContact O-N 3.22Å; N124-T126 PolarHBondContact O-N 3.2Å; N124-T126 VanDerWaalsContact O-N 3.09Å
125	N	55.6	Low	70.7	Confident	133 Å²	133	65.7 Å²	65.7	71%	0.711	41%	0.411	S	S	*	.	S	Bend	trans	54	21.8	-172.8	-63.3	-44.5	0	0	0	114.5	L123 T127	L123-N125 PolarHBondContact O-N 2.97Å; N125-T127 CarbonylContact C-O 3.59Å; N125-T127 PolarHBondContact O-N 3.11Å; N125-T127 VanDerWaalsContact O-O 3.11Å
126	T	60.5	Low	70.3	Confident	108 Å²	108	65.7 Å²	65.7	66%	0.663	41%	0.411	S	S	*	.			trans	-65.4	-26.3	-178.1	-22	0	0	0	0	112.9	N124	N124-T126 PolarHBondContact O-N 3.2Å; N124-T126 VanDerWaalsContact O-N 3.09Å
127	T	59.7	Low	70.1	Confident	66 Å²	66	65.8 Å²	65.8	41%	0.405	41%	0.412	S	S	.	.	S	Bend	trans	-96.7	146.8	163.8	58.6	0	0	0	0	109.8	N125	N125-T127 CarbonylContact C-O 3.59Å; N125-T127 PolarHBondContact O-N 3.11Å; N125-T127 VanDerWaalsContact O-O 3.11Å
128	P	57.4	Low	69.9	Low	95 Å²	95	68.6 Å²	68.6	62%	0.617	42%	0.422	S	S	*	.			trans	-55.6	155.3	175.9	25	-35.3	0	0	0	111.5	T130 G131	P128-T130 PolarHBondContact O-N 3.07Å; P128-G131 VanDerWaalsContact O-CA 3.3Å; P128-G131 WeakPolarHBondContact O-CA 3.37Å; P128-G131 PolarHBondContact O-N 3.05Å
129	V	58.5	Low	69.8	Low	144 Å²	144	67.8 Å²	67.8	87%	0.873	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	-24.1	-175.1	-175.6	0	0	0	0	113.1
130	T	58.1	Low	69.7	Low	138 Å²	138	68 Å²	68	85%	0.847	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.7	26.2	172.8	61.4	0	0	0	0	113.1	P128	P128-T130 PolarHBondContact O-N 3.07Å
131	G	55.5	Low	70.2	Confident	31 Å²	31	68.7 Å²	68.7	32%	0.32	42%	0.419	S	S	.	.			trans	-61.9	148.3	-173.9	0	0	0	0	0	113.3	P128 S133	P128-G131 VanDerWaalsContact O-CA 3.3Å; P128-G131 WeakPolarHBondContact O-CA 3.37Å; P128-G131 PolarHBondContact O-N 3.05Å; G131-S133 PolarHBondContact O-N 2.84Å
132	A	60.7	Low	71.4	Confident	89 Å²	89	65.6 Å²	65.6	74%	0.736	40%	0.403	S	S	*	.	S	Bend	trans	-75.2	60.2	-167.7	0	0	0	0	0	114.5	R92	R92-A132 PolarHBondContact NH2-O 3.03Å
133	S	65.5	Low	73	Confident	57 Å²	57	64.7 Å²	64.7	40%	0.399	39%	0.386	S	S	.	.	S	Bend	trans	64.3	140.2	-174.8	77.6	0	0	0	0	115.1	R92 G131 R138	R92-S133 PolarHBondContact NH2-O 2.96Å; R92-S133 PolarHBondContact NH2-OG 2.81Å; G131-S133 PolarHBondContact O-N 2.84Å; S133-R138 VanDerWaalsContact CB-NH2 3.34Å; S133-R138 PolarHBondContact OG-NH2 3.29Å
134	P	73.1	Confident	74.8	Confident	51 Å²	51	62.4 Å²	62.4	33%	0.331	38%	0.376	S	S	.	.			trans	-58.6	150	-174.3	23.8	-34.8	0	0	0	112.8	R138 Q160	P134-R138 PolarHBondContact O-NH2 3.12Å; P134-Q160 HydrophobicContact CG-CG 4.47Å
135	G	76.8	Confident	76.8	Confident	17 Å²	17	55.8 Å²	55.8	18%	0.175	34%	0.341	C	S	.	.			trans	-75	176.1	164.8	0	0	0	0	0	111.6	Q160	G135-Q160 WeakPolarHBondContact O-CG 3.43Å
136	G	88.9	Confident	78.8	Confident	0 Å²	0	50 Å²	50	0%	0	31%	0.31	C	S	.	.	S	Bend	trans	96.8	155.9	-173.9	0	0	0	0	0	113.4	Q90 V91 R92 N119	Q90-G136 PolarHBondContact O-N 3.04Å; V91-G136 CarbonylContact O-C 3.47Å; V91-G136 VanDerWaalsContact O-C 3.29Å; R92-G136 WeakPolarHBondContact CA-O 3.06Å; N119-G136 CarbonylContact O-C 3.58Å; N119-G136 WeakPolarHBondContact O-CA 3.38Å
137	L	93.5	Very high	80.6	Confident	1 Å²	1	44.8 Å²	44.8	1%	0.005	28%	0.278	C	S	.	.			trans	-71.6	126.8	-169.4	-175.7	65.1	0	0	0	111.3	I86 V91 V94 V116 N119 E139 L140 Q160 L161	I86-L137 HydrophobicContact CG2-CD2 4.23Å; V91-L137 PolarHBondContact O-N 3.07Å; V94-L137 HydrophobicContact CB-CD1 4.42Å; V94-L137 HydrophobicContact CG2-CD1 3.99Å; V116-L137 HydrophobicContact CG1-CD2 3.97Å; N119-L137 HydrophobicContact CB-CB 3.67Å; N119-L137 PolarHBondContact O-N 3.1Å; L137-E139 WeakPolarHBondContact CD1-O 3.5Å; L137-L140 HydrophobicContact CD2-CD2 3.99Å; L137-L140 HydrophobicContact CD2-CG 4.46Å; L137-Q160 CarbonylContact O-C 3.21Å; L137-Q160 VanDerWaalsContact O-C 3.25Å; L137-Q160 WeakPolarHBondContact O-CB 3.36Å; L137-L161 HydrophobicContact CD2-CD1 4.44Å; L137-L161 HydrophobicContact CG-CD1 4.33Å; L137-L161 VanDerWaalsContact O-CA 3.29Å; L137-L161 WeakPolarHBondContact O-CA 3.43Å; L137-L161 PolarHBondContact O-N 3.42Å; L137-L161 VanDerWaalsContact O-N 3.15Å
138	R	92.3	Very high	82.4	Confident	64 Å²	64	41.7 Å²	41.7	24%	0.242	26%	0.259	C	S	.	.			trans	-96.2	-37.4	-175.7	-62.7	-174	-180	178.3	3.5	114.1	R92 S133 P134 Q160 C162	R92-R138 HydrophobicContact CB-CG 4.48Å; R92-R138 WeakPolarHBondContact O-CB 3.17Å; R92-R138 PolarHBondContact O-N 2.87Å; S133-R138 VanDerWaalsContact CB-NH2 3.34Å; S133-R138 PolarHBondContact OG-NH2 3.29Å; P134-R138 PolarHBondContact O-NH2 3.12Å; R138-Q160 WeakPolarHBondContact CA-O 3.39Å; R138-Q160 HydrophobicContact CG-CB 4.2Å; R138-C162 PolarHBondContact O-N 3.34Å
139	E	92	Very high	84.2	Confident	23 Å²	23	38.6 Å²	38.6	11%	0.107	24%	0.237	C	C	.	.	B	Isolated β-bridge	trans	-147	146.8	-176.6	-62.3	-176.5	147.4	0	0	108.9	L137 Q141 Y163 G206 E207	L137-E139 WeakPolarHBondContact CD1-O 3.5Å; E139-Q141 HydrophobicContact CB-CG 3.83Å; E139-Q141 PolarHBondContact OE2-NE2 3.48Å; E139-Y163 HydrophobicContact CG-CD2 4.34Å; E139-Y163 HydrophobicContact CG-CE2 4.34Å; E139-G206 VanDerWaalsContact CD-CA 3.46Å; E139-G206 WeakPolarHBondContact OE1-CA 3.24Å; E139-E207 PolarHBondContact OE1-N 2.81Å
140	L	90.7	Very high	86	Confident	6 Å²	6	36.3 Å²	36.3	3%	0.031	22%	0.216	C	C	.	.			trans	-86.6	-30.6	175.9	-85.5	166.4	0	0	0	112.7	I86 V116 L137 L142 I155 L161 W205	I86-L140 HydrophobicContact CD1-CD2 4.22Å; V116-L140 HydrophobicContact CG1-CD2 4.23Å; V116-L140 HydrophobicContact CG2-CD1 4.45Å; V116-L140 HydrophobicContact CG2-CD2 3.98Å; L137-L140 HydrophobicContact CD2-CD2 3.99Å; L137-L140 HydrophobicContact CD2-CG 4.46Å; L140-L142 HydrophobicContact CB-CD1 4.44Å; L140-L142 HydrophobicContact CB-CG 4.21Å; L140-L142 HydrophobicContact CD2-CD1 4.38Å; L140-L142 PolarHBondContact O-N 2.93Å; L140-I155 HydrophobicContact CD1-CD1 4.16Å; L140-L161 HydrophobicContact CD1-CD1 4.48Å; L140-L161 HydrophobicContact CD1-CD2 4.27Å; L140-L161 HydrophobicContact CG-CD1 4.05Å; L140-W205 HydrophobicContact CB-CE3 4.23Å
141	Q	91.8	Very high	87.8	Confident	22 Å²	22	29.7 Å²	29.7	10%	0.103	18%	0.175	C	C	.	.			trans	48.9	28.8	177.5	-59.6	-171.7	-6.4	0	0	115.8	Q97 E139 R143 W205	Q97-Q141 WeakPolarHBondContact CA-O 3.22Å; Q97-Q141 HydrophobicContact CG-CB 4.12Å; E139-Q141 HydrophobicContact CB-CG 3.83Å; E139-Q141 PolarHBondContact OE2-NE2 3.48Å; Q141-R143 PolarHBondContact O-N 3.22Å; Q141-W205 PolarHBondContact N-O 3.05Å
142	L	95.5	Very high	89.8	Confident	3 Å²	3	28.2 Å²	28.2	2%	0.016	16%	0.16	C	C	.	.			trans	-76.7	46.9	179.9	-57.1	176.8	0	0	0	112.1	L96 L99 L114 L140 S144 L145 W205	L96-L142 HydrophobicContact CB-CD2 3.59Å; L96-L142 HydrophobicContact CD1-CD2 4.42Å; L99-L142 HydrophobicContact CD2-CD2 4.41Å; L114-L142 HydrophobicContact CD2-CD1 4.08Å; L140-L142 HydrophobicContact CB-CD1 4.44Å; L140-L142 HydrophobicContact CB-CG 4.21Å; L140-L142 HydrophobicContact CD2-CD1 4.38Å; L140-L142 PolarHBondContact O-N 2.93Å; L142-S144 PolarHBondContact O-N 2.86Å; L142-S144 VanDerWaalsContact O-N 3.07Å; L142-L145 HydrophobicContact CB-CB 3.88Å; L142-L145 HydrophobicContact CB-CD2 4.21Å; L142-L145 HydrophobicContact CD1-CD2 3.79Å; L142-L145 VanDerWaalsContact O-CB 3.29Å; L142-L145 WeakPolarHBondContact O-CB 3.4Å; L142-L145 PolarHBondContact O-N 3.08Å; L142-W205 HydrophobicContact CB-CD2 4.02Å; L142-W205 HydrophobicContact CB-CE3 3.84Å; L142-W205 HydrophobicContact CB-CH2 3.93Å; L142-W205 HydrophobicContact CB-CZ2 4.1Å; L142-W205 HydrophobicContact CB-CZ3 3.81Å; L142-W205 HydrophobicContact CD1-CH2 4.35Å; L142-W205 HydrophobicContact CD1-CZ3 4.03Å; L142-W205 HydrophobicContact CG-CE3 4.42Å; L142-W205 HydrophobicContact CG-CZ3 4.27Å; L142-W205 VanDerWaalsContact O-CE2 3.24Å; L142-W205 PolarHBondContact O-NE1 2.79Å
143	R	94.2	Very high	91.6	Very high	87 Å²	87	24 Å²	24	33%	0.328	13%	0.125	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61	-21.9	-168.5	69.3	-168.9	-166	174.5	12.7	115.7	Q97 Q141 E210 D211	Q97-R143 HydrophobicContact CB-CG 4.1Å; Q97-R143 WeakPolarHBondContact O-CG 3.38Å; Q141-R143 PolarHBondContact O-N 3.22Å; R143-E210 IonicContact CZ-OE2 3.17Å; R143-E210 VanDerWaalsContact CZ-OE2 3.27Å; R143-E210 VanDerWaalsContact NH1-CB 3.33Å; R143-E210 IonicContact NH1-OE2 2.73Å; R143-E210 PolarHBondContact NH1-OE2 3.25Å; R143-E210 IonicContact NH2-OE2 2.69Å; R143-E210 PolarHBondContact NH2-OE2 3.4Å; R143-D211 WeakPolarHBondContact CD-OD1 3.36Å; R143-D211 IonicContact NH1-OD1 2.86Å
144	S	96.2	Very high	93.1	Very high	33 Å²	33	21.6 Å²	21.6	23%	0.231	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.4	-12.9	173.7	-60.6	0	0	0	0	113.9	Q97 L99 R100 L142 T146	Q97-S144 VanDerWaalsContact O-CB 3.31Å; Q97-S144 WeakPolarHBondContact O-CB 3.07Å; Q97-S144 PolarHBondContact O-OG 3.48Å; L99-S144 CarbonylContact O-C 3.57Å; L99-S144 VanDerWaalsContact O-CB 3.31Å; L99-S144 WeakPolarHBondContact O-CB 3.06Å; R100-S144 WeakPolarHBondContact CA-O 3.19Å; L142-S144 PolarHBondContact O-N 2.86Å; L142-S144 VanDerWaalsContact O-N 3.07Å; S144-T146 PolarHBondContact O-N 3.13Å; S144-T146 PolarHBondContact O-OG1 2.9Å
145	L	97.4	Very high	94.2	Very high	4 Å²	4	19.1 Å²	19.1	2%	0.021	9%	0.092	C	C	.	.			trans	-73.7	103.4	-172.2	179.6	60.2	0	0	0	109.9	L99 V102 L114 L142 I148 I172 W205	L99-L145 VanDerWaalsContact O-CA 3.24Å; L99-L145 WeakPolarHBondContact O-CA 3.45Å; L99-L145 PolarHBondContact O-N 3.15Å; V102-L145 HydrophobicContact CG2-CD1 4.16Å; L114-L145 HydrophobicContact CD2-CD2 4.47Å; L142-L145 HydrophobicContact CB-CB 3.88Å; L142-L145 HydrophobicContact CB-CD2 4.21Å; L142-L145 HydrophobicContact CD1-CD2 3.79Å; L142-L145 VanDerWaalsContact O-CB 3.29Å; L142-L145 WeakPolarHBondContact O-CB 3.4Å; L142-L145 PolarHBondContact O-N 3.08Å; L145-I148 HydrophobicContact CD1-CG1 4.41Å; L145-I172 HydrophobicContact CG-CG2 4.16Å; L145-W205 HydrophobicContact CB-CZ2 4.35Å; L145-W205 HydrophobicContact CD2-CH2 4.32Å
146	T	97.1	Very high	95.1	Very high	10 Å²	10	21.1 Å²	21.1	6%	0.061	10%	0.097	C	C	.	.			trans	-120.2	-12	-176.7	45.6	0	0	0	0	112.4	R100 S144 I172 T216 R226 A242	R100-T146 PolarHBondContact O-N 2.96Å; R100-T146 VanDerWaalsContact O-N 3.08Å; S144-T146 PolarHBondContact O-N 3.13Å; S144-T146 PolarHBondContact O-OG1 2.9Å; T146-I172 WeakPolarHBondContact O-CA 3.48Å; T146-T216 HydrophobicContact CG2-CG2 4.26Å; T146-R226 VanDerWaalsContact O-CZ 3.23Å; T146-R226 PolarHBondContact O-NH1 2.88Å; T146-R226 PolarHBondContact O-NH2 3.45Å; T146-A242 WeakPolarHBondContact OG1-CA 3.5Å; T146-A242 WeakPolarHBondContact OG1-CB 3.27Å; T146-A242 PolarHBondContact OG1-O 3.29Å; T146-A242 VanDerWaalsContact OG1-O 3.11Å
147	E	97.4	Very high	95.3	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	131.7	-178.3	-174.1	63	-81	0	0	113.9	R100 I101 V102 L149 I172 H174 R226 A241 A242	R100-E147 PolarHBondContact O-N 2.97Å; I101-E147 WeakPolarHBondContact CA-O 3.37Å; I101-E147 HydrophobicContact CB-CB 4.16Å; I101-E147 HydrophobicContact CD1-CB 4.14Å; I101-E147 HydrophobicContact CD1-CG 3.7Å; I101-E147 HydrophobicContact CG1-CB 3.88Å; I101-E147 HydrophobicContact CG1-CG 3.8Å; V102-E147 PolarHBondContact N-O 2.92Å; E147-L149 HydrophobicContact CG-CD2 3.55Å; E147-L149 HydrophobicContact CG-CG 4.09Å; E147-I172 CarbonylContact C-O 3.58Å; E147-I172 VanDerWaalsContact CA-O 3.24Å; E147-I172 WeakPolarHBondContact CA-O 3.49Å; E147-I172 VanDerWaalsContact OE1-O 3.11Å; E147-H174 VanDerWaalsContact OE1-CA 3.23Å; E147-H174 WeakPolarHBondContact OE1-CA 3.24Å; E147-H174 VanDerWaalsContact OE1-CB 3.25Å; E147-H174 WeakPolarHBondContact OE1-CB 3.44Å; E147-H174 PolarHBondContact OE1-N 3.09Å; E147-H174 IonicContact OE2-CD2 2.69Å; E147-H174 PolarHBondContact OE2-CD2 2.83Å; E147-R226 IonicContact OE1-CZ 3.5Å; E147-R226 IonicContact OE1-NH2 2.71Å; E147-R226 PolarHBondContact OE1-NH2 2.94Å; E147-R226 IonicContact OE2-CZ 3.54Å; E147-R226 VanDerWaalsContact OE2-CZ 3.26Å; E147-R226 IonicContact OE2-NE 2.72Å; E147-R226 PolarHBondContact OE2-NE 3.2Å; E147-R226 IonicContact OE2-NH2 2.72Å; E147-R226 PolarHBondContact OE2-NH2 2.9Å; E147-A241 HydrophobicContact CG-CB 4.04Å; E147-A242 HydrophobicContact CB-CB 4.46Å
148	I	97.8	Very high	95.3	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	104.1	164.2	-64.8	172	0	0	0	107.5	V102 A113 L145 G151 V153 I172 F173 H174 N177	V102-I148 HydrophobicContact CB-CG1 4.36Å; V102-I148 WeakPolarHBondContact O-CA 3.42Å; A113-I148 HydrophobicContact CB-CG2 3.72Å; L145-I148 HydrophobicContact CD1-CG1 4.41Å; I148-G151 WeakPolarHBondContact CG2-O 3.29Å; I148-V153 HydrophobicContact CD1-CG2 4.03Å; I148-I172 HydrophobicContact CB-CG2 4.36Å; I148-I172 HydrophobicContact CD1-CG2 3.8Å; I148-I172 HydrophobicContact CG1-CG2 3.73Å; I148-I172 PolarHBondContact N-O 2.88Å; I148-F173 HydrophobicContact CB-CD1 4.01Å; I148-F173 HydrophobicContact CD1-CD1 4.46Å; I148-F173 HydrophobicContact CD1-CE1 4.28Å; I148-F173 HydrophobicContact CG2-CD1 4.09Å; I148-F173 HydrophobicContact CG2-CE1 4.34Å; I148-H174 PolarHBondContact O-N 3.23Å; I148-N177 PolarHBondContact O-ND2 3.37Å
149	L	95.6	Very high	95.3	Very high	30 Å²	30	25.2 Å²	25.2	16%	0.157	12%	0.116	C	C	.	.			trans	-68.1	-40.1	-171.7	-64.2	-177.5	0	0	0	113.3	I101 V102 R103 E147 H174 N177 A241 L256	I101-L149 HydrophobicContact CD1-CD1 4.05Å; I101-L149 HydrophobicContact CD1-CD2 4.33Å; I101-L149 HydrophobicContact CD1-CG 4.03Å; I101-L149 HydrophobicContact CG1-CG 4.48Å; V102-L149 PolarHBondContact O-N 3.23Å; R103-L149 HydrophobicContact CB-CD1 4.15Å; R103-L149 HydrophobicContact CG-CD1 3.97Å; E147-L149 HydrophobicContact CG-CD2 3.55Å; E147-L149 HydrophobicContact CG-CG 4.09Å; L149-H174 HydrophobicContact CD2-CB 4.12Å; L149-N177 WeakPolarHBondContact O-CB 3.38Å; L149-A241 HydrophobicContact CD2-CB 4.46Å; L149-L256 HydrophobicContact CD1-CD1 4.44Å; L149-L256 HydrophobicContact CD2-CD1 3.58Å
150	K	96	Very high	95.3	Very high	96 Å²	96	25 Å²	25	42%	0.417	12%	0.115	S	C	.	.	S	Bend	trans	-145.3	142.9	179.9	-176.3	-175.1	169.9	-155.7	0	109.1	L107 A113 N177	L107-K150 HydrophobicContact CD1-CD 4.49Å; L107-K150 HydrophobicContact CD1-CG 4.39Å; A113-K150 VanDerWaalsContact CB-O 3.29Å; A113-K150 WeakPolarHBondContact CB-O 3.33Å; K150-N177 WeakPolarHBondContact CA-OD1 3.26Å
151	G	95.9	Very high	95.5	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	11%	0.114	C	C	.	.			trans	96.9	159.3	174.8	0	0	0	0	0	114	N111 I148 F173 N177 L179	N111-G151 CarbonylContact O-C 3.55Å; N111-G151 WeakPolarHBondContact O-CA 3.45Å; I148-G151 WeakPolarHBondContact CG2-O 3.29Å; G151-F173 VanDerWaalsContact O-CE1 3.31Å; G151-F173 WeakPolarHBondContact O-CE1 3.43Å; G151-N177 PolarHBondContact N-ND2 3.11Å; G151-N177 PolarHBondContact N-OD1 3.19Å; G151-N177 PolarHBondContact O-ND2 3.26Å; G151-L179 CarbonylContact C-O 3.55Å
152	G	97.1	Very high	95.6	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	-168.8	-175.6	0	0	0	0	0	113.8	N111 Y112 A113 L114 L179 L181	N111-G152 PolarHBondContact O-N 2.89Å; Y112-G152 WeakPolarHBondContact CA-O 3.32Å; A113-G152 PolarHBondContact N-O 2.85Å; L114-G152 PolarHBondContact N-O 3.03Å; G152-L179 WeakPolarHBondContact CA-O 3.16Å; G152-L179 PolarHBondContact N-O 2.87Å; G152-L181 CarbonylContact C-O 3.6Å; G152-L181 WeakPolarHBondContact CA-O 3.43Å
153	V	98	Very high	95.6	Very high	0 Å²	0	24 Å²	24	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	125.6	-178.7	177.9	0	0	0	0	110.4	L114 I148 I155 W169 F173 L181 T182 L183 I184	L114-V153 HydrophobicContact CB-CG2 4.29Å; L114-V153 HydrophobicContact CD2-CG1 4.23Å; L114-V153 HydrophobicContact CG-CG1 4.47Å; L114-V153 WeakPolarHBondContact O-CA 3.03Å; I148-V153 HydrophobicContact CD1-CG2 4.03Å; V153-I155 HydrophobicContact CG1-CD1 3.97Å; V153-I155 HydrophobicContact CG1-CG1 3.93Å; V153-W169 HydrophobicContact CB-CE3 4.4Å; V153-W169 HydrophobicContact CB-CZ3 4.48Å; V153-W169 HydrophobicContact CG1-CD2 4.44Å; V153-W169 HydrophobicContact CG1-CE3 4.27Å; V153-W169 HydrophobicContact CG1-CH2 3.91Å; V153-W169 HydrophobicContact CG1-CZ2 4.11Å; V153-W169 HydrophobicContact CG1-CZ3 4Å; V153-W169 HydrophobicContact CG2-CD2 4.33Å; V153-W169 HydrophobicContact CG2-CE3 3.66Å; V153-W169 HydrophobicContact CG2-CZ3 3.76Å; V153-F173 HydrophobicContact CB-CZ 4.41Å; V153-F173 HydrophobicContact CG2-CE1 3.83Å; V153-F173 HydrophobicContact CG2-CZ 3.75Å; V153-L181 PolarHBondContact N-O 2.74Å; V153-T182 WeakPolarHBondContact O-CA 3.26Å; V153-L183 PolarHBondContact O-N 3.01Å; V153-I184 HydrophobicContact CG1-CD1 4.43Å
154	L	97.5	Very high	95.6	Very high	6 Å²	6	20 Å²	20	3%	0.031	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	122.5	176.7	-177.2	66.3	0	0	0	109.5	Y112 L114 A115 V116 L117 Q156 L183	Y112-L154 HydrophobicContact CD1-CB 3.74Å; Y112-L154 HydrophobicContact CD2-CB 3.99Å; Y112-L154 HydrophobicContact CD2-CD2 3.88Å; Y112-L154 HydrophobicContact CD2-CG 4.49Å; Y112-L154 HydrophobicContact CE1-CB 3.95Å; Y112-L154 HydrophobicContact CE1-CD1 4.46Å; Y112-L154 HydrophobicContact CE2-CB 4.2Å; Y112-L154 HydrophobicContact CE2-CD1 4.43Å; Y112-L154 HydrophobicContact CE2-CD2 3.78Å; Y112-L154 HydrophobicContact CE2-CG 4.36Å; Y112-L154 HydrophobicContact CG-CB 3.74Å; Y112-L154 HydrophobicContact CG-CD2 4.49Å; L114-L154 PolarHBondContact O-N 2.92Å; A115-L154 CarbonylContact C-O 3.43Å; A115-L154 VanDerWaalsContact CA-O 3.3Å; A115-L154 WeakPolarHBondContact CA-O 3.07Å; V116-L154 PolarHBondContact N-O 3.33Å; L117-L154 HydrophobicContact CD2-CD2 3.77Å; L117-L154 HydrophobicContact CD2-CG 3.84Å; L154-Q156 HydrophobicContact CD1-CG 3.97Å; L154-Q156 HydrophobicContact CG-CG 4.44Å; L154-L183 CarbonylContact C-O 3.53Å; L154-L183 WeakPolarHBondContact CA-O 3.47Å; L154-L183 HydrophobicContact CD1-CB 3.64Å; L154-L183 HydrophobicContact CD1-CD2 4.26Å
155	I	97.2	Very high	95.4	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	113.9	177.5	-56.4	179.8	0	0	0	107.6	V116 L140 V153 N158 L161 Q164 W169 L183 I184 D185	V116-I155 HydrophobicContact CB-CG1 4.14Å; V116-I155 HydrophobicContact CB-CG2 4.31Å; V116-I155 HydrophobicContact CG2-CG1 4.32Å; V116-I155 CarbonylContact O-C 3.55Å; V116-I155 WeakPolarHBondContact O-CA 3.23Å; L140-I155 HydrophobicContact CD1-CD1 4.16Å; V153-I155 HydrophobicContact CG1-CD1 3.97Å; V153-I155 HydrophobicContact CG1-CG1 3.93Å; I155-N158 WeakPolarHBondContact CG2-ND2 3.04Å; I155-L161 HydrophobicContact CG2-CD2 3.83Å; I155-Q164 HydrophobicContact CD1-CB 3.88Å; I155-Q164 HydrophobicContact CG2-CB 4.46Å; I155-Q164 HydrophobicContact CG2-CG 4.22Å; I155-W169 HydrophobicContact CD1-CH2 4.38Å; I155-W169 HydrophobicContact CD1-CZ2 3.96Å; I155-L183 PolarHBondContact N-O 3.12Å; I155-I184 HydrophobicContact CB-CB 4.48Å; I155-I184 HydrophobicContact CB-CG1 4.29Å; I155-I184 HydrophobicContact CB-CG2 4.22Å; I155-I184 HydrophobicContact CD1-CD1 4.27Å; I155-I184 HydrophobicContact CD1-CG1 4.24Å; I155-I184 HydrophobicContact CD1-CG2 4.4Å; I155-I184 HydrophobicContact CG1-CG1 4.32Å; I155-I184 WeakPolarHBondContact O-CA 3.48Å; I155-D185 WeakPolarHBondContact O-CB 3.43Å; I155-D185 PolarHBondContact O-N 3.07Å
156	Q	95.3	Very high	95.3	Very high	59 Å²	59	23.8 Å²	23.8	28%	0.276	11%	0.114	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	143.2	-176.2	-66	-168.5	-4.8	0	0	112.8	V116 L117 D118 L154 N158	V116-Q156 PolarHBondContact O-N 3.28Å; L117-Q156 CarbonylContact C-O 3.55Å; L117-Q156 WeakPolarHBondContact CA-O 3.12Å; L117-Q156 HydrophobicContact CD2-CB 4.07Å; L117-Q156 HydrophobicContact CD2-CG 4.49Å; D118-Q156 PolarHBondContact N-O 3.37Å; L154-Q156 HydrophobicContact CD1-CG 3.97Å; L154-Q156 HydrophobicContact CG-CG 4.44Å; Q156-N158 PolarHBondContact N-ND2 3.19Å; Q156-N158 PolarHBondContact O-N 2.64Å; Q156-N158 PolarHBondContact O-ND2 3.14Å
157	R	92.7	Very high	95.3	Very high	118 Å²	118	23.8 Å²	23.8	45%	0.445	11%	0.113	S	C	.	.			trans	56.5	45.7	168.6	-60.4	178.5	-63.3	-76.6	-9.1	113.9	D118 P159 D185	D118-R157 VanDerWaalsContact CA-O 3.26Å; D118-R157 WeakPolarHBondContact CA-O 3.28Å; D118-R157 VanDerWaalsContact CG-NE 3.34Å; D118-R157 WeakPolarHBondContact OD1-CD 3.15Å; D118-R157 IonicContact OD1-CZ 3.25Å; D118-R157 IonicContact OD1-NE 2.57Å; D118-R157 PolarHBondContact OD1-NE 3Å; D118-R157 IonicContact OD1-NH2 3.13Å; D118-R157 IonicContact OD2-CZ 2.62Å; D118-R157 IonicContact OD2-NE 2.79Å; D118-R157 PolarHBondContact OD2-NE 3.14Å; D118-R157 IonicContact OD2-NH2 2.64Å; D118-R157 PolarHBondContact OD2-NH2 2.99Å; R157-P159 WeakPolarHBondContact O-CD 3.03Å; R157-D185 WeakPolarHBondContact CA-OD2 3.4Å; R157-D185 PolarHBondContact N-OD2 2.9Å
158	N	93.6	Very high	95.2	Very high	3 Å²	3	25.5 Å²	25.5	2%	0.016	12%	0.122	C	C	.	.			trans	-110.7	78.7	177.7	-57.2	-71.3	0	0	0	110.4	V116 N119 I155 Q156 Q160 L161	V116-N158 PolarHBondContact O-ND2 2.85Å; N119-N158 VanDerWaalsContact CB-OD1 3.27Å; N119-N158 WeakPolarHBondContact CB-OD1 3.45Å; N119-N158 PolarHBondContact N-OD1 3.48Å; N119-N158 PolarHBondContact ND2-OD1 3.27Å; I155-N158 WeakPolarHBondContact CG2-ND2 3.04Å; Q156-N158 PolarHBondContact N-ND2 3.19Å; Q156-N158 PolarHBondContact O-N 2.64Å; Q156-N158 PolarHBondContact O-ND2 3.14Å; N158-Q160 PolarHBondContact O-N 3.31Å; N158-L161 HydrophobicContact CB-CB 3.59Å; N158-L161 HydrophobicContact CB-CD2 3.84Å; N158-L161 HydrophobicContact CB-CG 4.38Å; N158-L161 WeakPolarHBondContact O-CB 3.42Å; N158-L161 PolarHBondContact O-N 3.01Å
159	P	91.8	Very high	95.1	Very high	29 Å²	29	26.3 Å²	26.3	19%	0.188	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-14.9	-164.2	25.4	-35.9	0	0	0	115.3	R157 R188 S189	R157-P159 WeakPolarHBondContact O-CD 3.03Å; P159-R188 CarbonylContact O-C 3.54Å; P159-R188 WeakPolarHBondContact O-CA 3.31Å; P159-S189 PolarHBondContact O-N 3.07Å
160	Q	92.4	Very high	95	Very high	20 Å²	20	31.1 Å²	31.1	9%	0.093	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.1	-7.9	176.2	-60.9	-57.4	-51.1	0	0	113.7	P134 G135 L137 R138 N158	P134-Q160 HydrophobicContact CG-CG 4.47Å; G135-Q160 WeakPolarHBondContact O-CG 3.43Å; L137-Q160 CarbonylContact O-C 3.21Å; L137-Q160 VanDerWaalsContact O-C 3.25Å; L137-Q160 WeakPolarHBondContact O-CB 3.36Å; R138-Q160 WeakPolarHBondContact CA-O 3.39Å; R138-Q160 HydrophobicContact CG-CB 4.2Å; N158-Q160 PolarHBondContact O-N 3.31Å
161	L	94.8	Very high	95	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	13%	0.125	C	C	.	.			trans	-80.4	127.3	-166.5	-179.9	62.5	0	0	0	112.7	V116 L137 L140 I155 N158 Q164 R188	V116-L161 HydrophobicContact CG1-CD2 4.44Å; L137-L161 HydrophobicContact CD2-CD1 4.44Å; L137-L161 HydrophobicContact CG-CD1 4.33Å; L137-L161 VanDerWaalsContact O-CA 3.29Å; L137-L161 WeakPolarHBondContact O-CA 3.43Å; L137-L161 PolarHBondContact O-N 3.42Å; L137-L161 VanDerWaalsContact O-N 3.15Å; L140-L161 HydrophobicContact CD1-CD1 4.48Å; L140-L161 HydrophobicContact CD1-CD2 4.27Å; L140-L161 HydrophobicContact CG-CD1 4.05Å; I155-L161 HydrophobicContact CG2-CD2 3.83Å; N158-L161 HydrophobicContact CB-CB 3.59Å; N158-L161 HydrophobicContact CB-CD2 3.84Å; N158-L161 HydrophobicContact CB-CG 4.38Å; N158-L161 WeakPolarHBondContact O-CB 3.42Å; N158-L161 PolarHBondContact O-N 3.01Å; L161-Q164 HydrophobicContact CD2-CB 4.22Å; L161-Q164 HydrophobicContact CD2-CG 4.34Å; L161-Q164 PolarHBondContact O-NE2 3.12Å; L161-Q164 PolarHBondContact O-OE1 2.04Å; L161-Q164 VanDerWaalsContact O-OE1 3.08Å; L161-R188 WeakPolarHBondContact O-CD 3.35Å; L161-R188 WeakPolarHBondContact O-CG 3.44Å; L161-R188 PolarHBondContact O-NE 3.46Å
162	C	94.5	Very high	95	Very high	2 Å²	2	26.6 Å²	26.6	1%	0.014	13%	0.126	C	C	.	.			trans	-106.7	161.4	174.9	-71.2	0	0	0	0	112.8	R138 Q164 C192	R138-C162 PolarHBondContact O-N 3.34Å; C162-Q164 VanDerWaalsContact C-N 3.28Å; C162-Q164 PolarHBondContact O-N 2.89Å; C162-Q164 VanDerWaalsContact O-N 3.14Å; C162-Q164 PolarHBondContact O-OE1 3.39Å; C162-C192 WeakPolarHBondContact CA-SG 3.46Å; C162-C192 HydrophobicContact CB-CB 3.78Å; C162-C192 WeakPolarHBondContact CB-SG 3.28Å; C162-C192 VanDerWaalsContact SG-CA 3.53Å; C162-C192 WeakPolarHBondContact SG-CB 3.31Å; C162-C192 CovalentContact SG-SG 2.03Å; C162-C192 PolarHBondContact SG-SG 2.91Å
163	Y	95.5	Very high	95	Very high	8 Å²	8	27 Å²	27	3%	0.031	13%	0.127	C	C	.	.	S	Bend	trans	71	-8.6	169	-47.5	-68.8	0	0	0	118.8	E139 D165 T166 H193 C204 E207	E139-Y163 HydrophobicContact CG-CD2 4.34Å; E139-Y163 HydrophobicContact CG-CE2 4.34Å; Y163-D165 PolarHBondContact O-N 2.79Å; Y163-T166 HydrophobicContact CD1-CG2 4.32Å; Y163-T166 PolarHBondContact O-N 2.77Å; Y163-T166 PolarHBondContact O-OG1 3.4Å; Y163-H193 WeakPolarHBondContact CE1-O 3.31Å; Y163-H193 PolarHBondContact OH-N 2.88Å; Y163-H193 PolarHBondContact OH-O 3.23Å; Y163-C204 WeakPolarHBondContact CB-O 3.42Å; Y163-C204 WeakPolarHBondContact CD1-SG 3.32Å; Y163-E207 HydrophobicContact CE2-CG 4.02Å; Y163-E207 WeakPolarHBondContact OH-CG 3.38Å
164	Q	93.4	Very high	94.7	Very high	3 Å²	3	28.2 Å²	28.2	1%	0.014	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-24.8	-178.3	71.2	-86.7	32.4	0	0	114.9	I155 L161 C162 W169 I184 D185	I155-Q164 HydrophobicContact CD1-CB 3.88Å; I155-Q164 HydrophobicContact CG2-CB 4.46Å; I155-Q164 HydrophobicContact CG2-CG 4.22Å; L161-Q164 HydrophobicContact CD2-CB 4.22Å; L161-Q164 HydrophobicContact CD2-CG 4.34Å; L161-Q164 PolarHBondContact O-NE2 3.12Å; L161-Q164 PolarHBondContact O-OE1 2.04Å; L161-Q164 VanDerWaalsContact O-OE1 3.08Å; C162-Q164 VanDerWaalsContact C-N 3.28Å; C162-Q164 PolarHBondContact O-N 2.89Å; C162-Q164 VanDerWaalsContact O-N 3.14Å; C162-Q164 PolarHBondContact O-OE1 3.39Å; Q164-W169 PolarHBondContact O-NE1 2.86Å; Q164-I184 HydrophobicContact CB-CG2 4.17Å; Q164-I184 HydrophobicContact CG-CG2 3.53Å; Q164-D185 PolarHBondContact NE2-O 2.91Å
165	D	92.8	Very high	94.2	Very high	79 Å²	79	34.5 Å²	34.5	42%	0.422	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.4	-14.5	177.7	47.9	-0.5	0	0	0	114.1	Y163 T186 R188	Y163-D165 PolarHBondContact O-N 2.79Å; D165-T186 HydrophobicContact CB-CG2 3.71Å; D165-T186 WeakPolarHBondContact OD2-CG2 3.47Å; D165-R188 IonicContact OD1-CZ 3.99Å; D165-R188 IonicContact OD1-NH1 3.74Å; D165-R188 IonicContact OD1-NH2 3.7Å; D165-R188 PolarHBondContact OD1-NH2 3.35Å; D165-R188 IonicContact OD2-CZ 3.87Å; D165-R188 VanDerWaalsContact OD2-CZ 3.31Å; D165-R188 IonicContact OD2-NH1 3.44Å; D165-R188 PolarHBondContact OD2-NH1 3.44Å; D165-R188 IonicContact OD2-NH2 2.72Å; D165-R188 PolarHBondContact OD2-NH2 2.97Å
166	T	95	Very high	93.7	Very high	36 Å²	36	36.9 Å²	36.9	22%	0.221	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83	-18.7	177	77.1	0	0	0	0	112.9	Y163 R203 C204	Y163-T166 HydrophobicContact CD1-CG2 4.32Å; Y163-T166 PolarHBondContact O-N 2.77Å; Y163-T166 PolarHBondContact O-OG1 3.4Å; T166-R203 WeakPolarHBondContact O-CB 3.33Å; T166-R203 WeakPolarHBondContact O-CD 3.27Å; T166-R203 WeakPolarHBondContact O-CG 3.39Å; T166-C204 PolarHBondContact OG1-N 2.91Å; T166-C204 PolarHBondContact OG1-O 2.7Å
167	I	96.4	Very high	93.5	Very high	10 Å²	10	34.7 Å²	34.7	5%	0.051	16%	0.163	C	C	.	.	S	Bend	trans	-74.1	131.4	-175.5	-64.1	-59.1	0	0	0	111.7	W169 I172 C204 W205 Q213	I167-W169 HydrophobicContact CB-CD2 4.4Å; I167-W169 HydrophobicContact CB-CZ2 4.09Å; I167-W169 HydrophobicContact CG2-CD2 3.7Å; I167-W169 HydrophobicContact CG2-CE3 4.08Å; I167-W169 HydrophobicContact CG2-CG 4.12Å; I167-W169 HydrophobicContact CG2-CH2 4.33Å; I167-W169 HydrophobicContact CG2-CZ2 3.94Å; I167-W169 HydrophobicContact CG2-CZ3 4.39Å; I167-W169 PolarHBondContact O-N 3.02Å; I167-W169 VanDerWaalsContact O-N 3.11Å; I167-I172 HydrophobicContact CG2-CD1 3.51Å; I167-C204 WeakPolarHBondContact CD1-O 3.18Å; I167-W205 HydrophobicContact CD1-CD2 3.48Å; I167-W205 VanDerWaalsContact CD1-CD2 3.48Å; I167-W205 HydrophobicContact CD1-CE3 3.88Å; I167-W205 HydrophobicContact CD1-CG 3.84Å; I167-W205 HydrophobicContact CD1-CH2 4.37Å; I167-W205 HydrophobicContact CD1-CZ2 4.03Å; I167-W205 HydrophobicContact CD1-CZ3 4.29Å; I167-W205 HydrophobicContact CG1-CD2 3.99Å; I167-W205 HydrophobicContact CG1-CE3 3.82Å; I167-W205 HydrophobicContact CG1-CH2 4.17Å; I167-W205 HydrophobicContact CG1-CZ2 4.32Å; I167-W205 HydrophobicContact CG1-CZ3 3.91Å; I167-W205 HydrophobicContact CG2-CH2 3.92Å; I167-W205 HydrophobicContact CG2-CZ2 4.04Å; I167-W205 HydrophobicContact CG2-CZ3 4.42Å; I167-Q213 HydrophobicContact CD1-CB 4.2Å; I167-Q213 HydrophobicContact CD1-CG 4.35Å
168	L	95.7	Very high	93.1	Very high	36 Å²	36	36.8 Å²	36.8	19%	0.188	18%	0.178	C	C	.	.			trans	-84.4	78.4	174.8	-167.4	63.4	0	0	0	110.3	K170 D171 Q213 L215	L168-K170 HydrophobicContact CD1-CD 4.2Å; L168-K170 HydrophobicContact CD1-CG 3.85Å; L168-K170 HydrophobicContact CG-CG 3.84Å; L168-K170 PolarHBondContact O-N 2.96Å; L168-K170 VanDerWaalsContact O-N 3.12Å; L168-D171 HydrophobicContact CD2-CB 4.43Å; L168-D171 HydrophobicContact CG-CB 4.44Å; L168-D171 WeakPolarHBondContact O-CB 3.29Å; L168-D171 PolarHBondContact O-N 2.86Å; L168-Q213 PolarHBondContact O-NE2 2.98Å; L168-L215 HydrophobicContact CD2-CD2 4.12Å
169	W	95.6	Very high	92.7	Very high	17 Å²	17	39.1 Å²	39.1	6%	0.064	19%	0.19	C	C	.	.	H	α-helix	trans	-55.1	-30.4	-176.8	-62.9	100.7	0	0	0	114.2	L114 V153 I155 Q164 I167 D171 I172 F173 T182 I184 W205	L114-W169 HydrophobicContact CD2-CH2 3.87Å; L114-W169 HydrophobicContact CD2-CZ3 3.93Å; V153-W169 HydrophobicContact CB-CE3 4.4Å; V153-W169 HydrophobicContact CB-CZ3 4.48Å; V153-W169 HydrophobicContact CG1-CD2 4.44Å; V153-W169 HydrophobicContact CG1-CE3 4.27Å; V153-W169 HydrophobicContact CG1-CH2 3.91Å; V153-W169 HydrophobicContact CG1-CZ2 4.11Å; V153-W169 HydrophobicContact CG1-CZ3 4Å; V153-W169 HydrophobicContact CG2-CD2 4.33Å; V153-W169 HydrophobicContact CG2-CE3 3.66Å; V153-W169 HydrophobicContact CG2-CZ3 3.76Å; I155-W169 HydrophobicContact CD1-CH2 4.38Å; I155-W169 HydrophobicContact CD1-CZ2 3.96Å; Q164-W169 PolarHBondContact O-NE1 2.86Å; I167-W169 HydrophobicContact CB-CD2 4.4Å; I167-W169 HydrophobicContact CB-CZ2 4.09Å; I167-W169 HydrophobicContact CG2-CD2 3.7Å; I167-W169 HydrophobicContact CG2-CE3 4.08Å; I167-W169 HydrophobicContact CG2-CG 4.12Å; I167-W169 HydrophobicContact CG2-CH2 4.33Å; I167-W169 HydrophobicContact CG2-CZ2 3.94Å; I167-W169 HydrophobicContact CG2-CZ3 4.39Å; I167-W169 PolarHBondContact O-N 3.02Å; I167-W169 VanDerWaalsContact O-N 3.11Å; W169-D171 PolarHBondContact O-N 3.16Å; W169-I172 HydrophobicContact CD2-CD1 4.48Å; W169-I172 HydrophobicContact CE3-CD1 3.78Å; W169-I172 HydrophobicContact CZ3-CD1 4.03Å; W169-I172 WeakPolarHBondContact O-CA 3.27Å; W169-I172 WeakPolarHBondContact O-CB 3.17Å; W169-I172 PolarHBondContact O-N 3.19Å; W169-F173 HydrophobicContact CB-CD2 4.4Å; W169-F173 HydrophobicContact CB-CE2 3.9Å; W169-F173 HydrophobicContact CB-CZ 4.45Å; W169-F173 WeakPolarHBondContact O-CD2 3.36Å; W169-F173 PolarHBondContact O-N 2.62Å; W169-T182 HydrophobicContact CB-CG2 3.9Å; W169-T182 HydrophobicContact CG-CG2 4.13Å; W169-I184 HydrophobicContact CD2-CD1 4.49Å; W169-I184 HydrophobicContact CG-CD1 4.45Å; W169-I184 HydrophobicContact CZ2-CD1 4.22Å; W169-W205 AromaticContact CH2-CH2 3.68Å; W169-W205 HydrophobicContact CH2-CH2 3.68Å; W169-W205 AromaticContact CH2-CZ3 3.72Å; W169-W205 HydrophobicContact CH2-CZ3 3.72Å; W169-W205 HydrophobicContact CZ2-CH2 4.39Å; W169-W205 HydrophobicContact CZ2-CZ3 4.24Å; W169-W205 AromaticContact CZ3-CH2 3.87Å; W169-W205 HydrophobicContact CZ3-CH2 3.87Å; W169-W205 HydrophobicContact CZ3-CZ3 4.38Å
170	K	93.9	Very high	92.5	Very high	132 Å²	132	39.9 Å²	39.9	57%	0.574	20%	0.199	S	C	*	.	H	α-helix	trans	-65.6	-14.1	174	73.7	172.5	-161.3	-173.4	0	115.4	L168 R217 T218	L168-K170 HydrophobicContact CD1-CD 4.2Å; L168-K170 HydrophobicContact CD1-CG 3.85Å; L168-K170 HydrophobicContact CG-CG 3.84Å; L168-K170 PolarHBondContact O-N 2.96Å; L168-K170 VanDerWaalsContact O-N 3.12Å; K170-R217 PolarHBondContact O-NH1 3.25Å; K170-T218 HydrophobicContact CG-CG2 4.17Å
171	D	95.1	Very high	92.4	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-83.9	-31.3	169.5	-159.8	92	0	0	0	111.4	L168 W169 L215 T216 R217 T218 R226	L168-D171 HydrophobicContact CD2-CB 4.43Å; L168-D171 HydrophobicContact CG-CB 4.44Å; L168-D171 WeakPolarHBondContact O-CB 3.29Å; L168-D171 PolarHBondContact O-N 2.86Å; W169-D171 PolarHBondContact O-N 3.16Å; D171-L215 HydrophobicContact CB-CG 4.49Å; D171-L215 WeakPolarHBondContact OD2-CA 3.1Å; D171-T216 PolarHBondContact OD2-N 3.18Å; D171-R217 WeakPolarHBondContact O-CB 3.42Å; D171-R217 PolarHBondContact OD1-N 3.21Å; D171-R217 PolarHBondContact OD2-N 3.29Å; D171-T218 HydrophobicContact CB-CG2 4.04Å; D171-T218 WeakPolarHBondContact OD1-CA 3.46Å; D171-T218 VanDerWaalsContact OD1-CB 3.28Å; D171-T218 WeakPolarHBondContact OD1-CB 3.47Å; D171-T218 WeakPolarHBondContact OD1-CG2 3.18Å; D171-T218 PolarHBondContact OD1-N 3.48Å; D171-T218 PolarHBondContact OD1-OG1 3.36Å; D171-R226 PolarHBondContact O-NH1 3.31Å; D171-R226 VanDerWaalsContact O-NH1 3.11Å; D171-R226 PolarHBondContact O-NH2 3.16Å
172	I	96.8	Very high	92.2	Very high	1 Å²	1	46.2 Å²	46.2	1%	0.005	24%	0.236	C	C	.	.	H	α-helix	trans	-78.1	-45.1	-178.1	-58.8	173.2	0	0	0	110.6	L145 T146 E147 I148 I167 W169 H174 W205 R226	L145-I172 HydrophobicContact CG-CG2 4.16Å; T146-I172 WeakPolarHBondContact O-CA 3.48Å; E147-I172 CarbonylContact C-O 3.58Å; E147-I172 VanDerWaalsContact CA-O 3.24Å; E147-I172 WeakPolarHBondContact CA-O 3.49Å; E147-I172 VanDerWaalsContact OE1-O 3.11Å; I148-I172 HydrophobicContact CB-CG2 4.36Å; I148-I172 HydrophobicContact CD1-CG2 3.8Å; I148-I172 HydrophobicContact CG1-CG2 3.73Å; I148-I172 PolarHBondContact N-O 2.88Å; I167-I172 HydrophobicContact CG2-CD1 3.51Å; W169-I172 HydrophobicContact CD2-CD1 4.48Å; W169-I172 HydrophobicContact CE3-CD1 3.78Å; W169-I172 HydrophobicContact CZ3-CD1 4.03Å; W169-I172 WeakPolarHBondContact O-CA 3.27Å; W169-I172 WeakPolarHBondContact O-CB 3.17Å; W169-I172 PolarHBondContact O-N 3.19Å; I172-H174 PolarHBondContact O-N 3.09Å; I172-W205 HydrophobicContact CD1-CH2 3.8Å; I172-W205 HydrophobicContact CD1-CZ2 3.6Å; I172-R226 PolarHBondContact O-NH2 3.19Å; I172-R226 VanDerWaalsContact O-NH2 3.14Å
173	F	96.4	Very high	92.2	Very high	9 Å²	9	49.8 Å²	49.8	4%	0.039	25%	0.254	C	S	.	.	B	Isolated β-bridge	trans	-62.1	136.3	176.6	-62.4	-53.1	0	0	0	111.8	I148 G151 V153 W169 N177 A180 T182 R217	I148-F173 HydrophobicContact CB-CD1 4.01Å; I148-F173 HydrophobicContact CD1-CD1 4.46Å; I148-F173 HydrophobicContact CD1-CE1 4.28Å; I148-F173 HydrophobicContact CG2-CD1 4.09Å; I148-F173 HydrophobicContact CG2-CE1 4.34Å; G151-F173 VanDerWaalsContact O-CE1 3.31Å; G151-F173 WeakPolarHBondContact O-CE1 3.43Å; V153-F173 HydrophobicContact CB-CZ 4.41Å; V153-F173 HydrophobicContact CG2-CE1 3.83Å; V153-F173 HydrophobicContact CG2-CZ 3.75Å; W169-F173 HydrophobicContact CB-CD2 4.4Å; W169-F173 HydrophobicContact CB-CE2 3.9Å; W169-F173 HydrophobicContact CB-CZ 4.45Å; W169-F173 WeakPolarHBondContact O-CD2 3.36Å; W169-F173 PolarHBondContact O-N 2.62Å; F173-N177 HydrophobicContact CB-CB 4.39Å; F173-N177 WeakPolarHBondContact CD1-ND2 3.48Å; F173-A180 HydrophobicContact CB-CB 4.19Å; F173-A180 HydrophobicContact CD1-CB 4.29Å; F173-A180 HydrophobicContact CD2-CB 3.64Å; F173-A180 HydrophobicContact CE2-CB 3.97Å; F173-A180 HydrophobicContact CG-CB 3.81Å; F173-A180 HydrophobicContact CZ-CB 4.44Å; F173-T182 HydrophobicContact CE2-CG2 3.68Å; F173-T182 HydrophobicContact CZ-CG2 3.83Å; F173-R217 WeakPolarHBondContact O-CD 3.44Å; F173-R217 PolarHBondContact O-NH1 3.41Å
174	H	92.4	Very high	92.1	Very high	25 Å²	25	51.7 Å²	51.7	12%	0.116	26%	0.264	C	S	.	.			trans	-59.5	158.2	174.5	-173.4	-122	0	0	0	112.1	E147 I148 L149 I172 N176 N177 R217	E147-H174 VanDerWaalsContact OE1-CA 3.23Å; E147-H174 WeakPolarHBondContact OE1-CA 3.24Å; E147-H174 VanDerWaalsContact OE1-CB 3.25Å; E147-H174 WeakPolarHBondContact OE1-CB 3.44Å; E147-H174 PolarHBondContact OE1-N 3.09Å; E147-H174 IonicContact OE2-CD2 2.69Å; E147-H174 PolarHBondContact OE2-CD2 2.83Å; I148-H174 PolarHBondContact O-N 3.23Å; L149-H174 HydrophobicContact CD2-CB 4.12Å; I172-H174 PolarHBondContact O-N 3.09Å; H174-N176 PolarHBondContact ND1-N 3.42Å; H174-N176 PolarHBondContact O-N 3.31Å; H174-N177 HydrophobicContact CB-CB 4.33Å; H174-N177 PolarHBondContact O-N 3.47Å; H174-R217 PolarHBondContact O-NH1 2.82Å
175	K	86.9	Confident	92	Very high	138 Å²	138	53.2 Å²	53.2	60%	0.6	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.6	-39.4	176.3	-174.8	-164.8	164.3	-161.1	0	112.3
176	N	87.5	Confident	91.9	Very high	49 Å²	49	52.6 Å²	52.6	26%	0.262	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.7	15	-170.5	-50.4	-14.2	0	0	0	112.6	H174 Q178 D873	H174-N176 PolarHBondContact ND1-N 3.42Å; H174-N176 PolarHBondContact O-N 3.31Å; N176-Q178 PolarHBondContact O-N 3.47Å; N176-D873 PolarHBondContact ND2-OD1 3.26Å
177	N	90.2	Very high	91.6	Very high	13 Å²	13	56.8 Å²	56.8	7%	0.07	29%	0.293	C	S	.	.			trans	-73.4	98.8	177.8	-174.9	-12.9	0	0	0	110.8	I148 L149 K150 G151 F173 H174 L179 A180	I148-N177 PolarHBondContact O-ND2 3.37Å; L149-N177 WeakPolarHBondContact O-CB 3.38Å; K150-N177 WeakPolarHBondContact CA-OD1 3.26Å; G151-N177 PolarHBondContact N-ND2 3.11Å; G151-N177 PolarHBondContact N-OD1 3.19Å; G151-N177 PolarHBondContact O-ND2 3.26Å; F173-N177 HydrophobicContact CB-CB 4.39Å; F173-N177 WeakPolarHBondContact CD1-ND2 3.48Å; H174-N177 HydrophobicContact CB-CB 4.33Å; H174-N177 PolarHBondContact O-N 3.47Å; N177-L179 PolarHBondContact O-N 3.18Å; N177-L179 PolarHBondContact OD1-N 2.96Å; N177-L179 VanDerWaalsContact OD1-N 3.08Å; N177-A180 WeakPolarHBondContact O-CB 3.09Å
178	Q	83.9	Confident	91.1	Very high	163 Å²	163	59.7 Å²	59.7	76%	0.762	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.2	-15.2	-177.6	-62.8	176.7	-4.8	0	0	114.3	N176	N176-Q178 PolarHBondContact O-N 3.47Å
179	L	86.4	Confident	90.7	Very high	51 Å²	51	62.8 Å²	62.8	27%	0.267	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.9	32.1	-175.6	-65.8	173.9	0	0	0	111.7	L107 G151 G152 N177 L181	L107-L179 HydrophobicContact CD1-CD1 3.64Å; G151-L179 CarbonylContact C-O 3.55Å; G152-L179 WeakPolarHBondContact CA-O 3.16Å; G152-L179 PolarHBondContact N-O 2.87Å; N177-L179 PolarHBondContact O-N 3.18Å; N177-L179 PolarHBondContact OD1-N 2.96Å; N177-L179 VanDerWaalsContact OD1-N 3.08Å; L179-L181 PolarHBondContact O-N 2.81Å
180	A	86.3	Confident	90.2	Very high	46 Å²	46	64.8 Å²	64.8	38%	0.38	34%	0.335	S	S	.	.			trans	-70.3	45.4	-176.5	0	0	0	0	0	114.8	F173 N177	F173-A180 HydrophobicContact CB-CB 4.19Å; F173-A180 HydrophobicContact CD1-CB 4.29Å; F173-A180 HydrophobicContact CD2-CB 3.64Å; F173-A180 HydrophobicContact CE2-CB 3.97Å; F173-A180 HydrophobicContact CG-CB 3.81Å; F173-A180 HydrophobicContact CZ-CB 4.44Å; N177-A180 WeakPolarHBondContact O-CB 3.09Å
181	L	89.8	Confident	90	Very high	81 Å²	81	62.8 Å²	62.8	42%	0.424	34%	0.343	S	S	.	.			trans	-76.5	146.9	177.7	-58.7	176	0	0	0	111.2	G152 V153 L179	G152-L181 CarbonylContact C-O 3.6Å; G152-L181 WeakPolarHBondContact CA-O 3.43Å; V153-L181 PolarHBondContact N-O 2.74Å; L179-L181 PolarHBondContact O-N 2.81Å
182	T	91.9	Very high	89.8	Confident	72 Å²	72	65 Å²	65	44%	0.442	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	110	174.3	56.7	0	0	0	0	111.2	V153 W169 F173	V153-T182 WeakPolarHBondContact O-CA 3.26Å; W169-T182 HydrophobicContact CB-CG2 3.9Å; W169-T182 HydrophobicContact CG-CG2 4.13Å; F173-T182 HydrophobicContact CE2-CG2 3.68Å; F173-T182 HydrophobicContact CZ-CG2 3.83Å
183	L	93.3	Very high	89.7	Confident	76 Å²	76	70 Å²	70	40%	0.398	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	101.1	172.1	-82.5	74.3	0	0	0	108	Y112 V153 L154 I155	Y112-L183 HydrophobicContact CE1-CD1 4.5Å; V153-L183 PolarHBondContact O-N 3.01Å; L154-L183 CarbonylContact C-O 3.53Å; L154-L183 WeakPolarHBondContact CA-O 3.47Å; L154-L183 HydrophobicContact CD1-CB 3.64Å; L154-L183 HydrophobicContact CD1-CD2 4.26Å; I155-L183 PolarHBondContact N-O 3.12Å
184	I	94.1	Very high	89.6	Confident	48 Å²	48	74.9 Å²	74.9	25%	0.246	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	112.1	-169.3	-59.9	179.7	0	0	0	110.6	V153 I155 Q164 W169	V153-I184 HydrophobicContact CG1-CD1 4.43Å; I155-I184 HydrophobicContact CB-CB 4.48Å; I155-I184 HydrophobicContact CB-CG1 4.29Å; I155-I184 HydrophobicContact CB-CG2 4.22Å; I155-I184 HydrophobicContact CD1-CD1 4.27Å; I155-I184 HydrophobicContact CD1-CG1 4.24Å; I155-I184 HydrophobicContact CD1-CG2 4.4Å; I155-I184 HydrophobicContact CG1-CG1 4.32Å; I155-I184 WeakPolarHBondContact O-CA 3.48Å; Q164-I184 HydrophobicContact CB-CG2 4.17Å; Q164-I184 HydrophobicContact CG-CG2 3.53Å; W169-I184 HydrophobicContact CD2-CD1 4.49Å; W169-I184 HydrophobicContact CG-CD1 4.45Å; W169-I184 HydrophobicContact CZ2-CD1 4.22Å
185	D	90.9	Very high	89.7	Confident	36 Å²	36	74.6 Å²	74.6	19%	0.193	41%	0.414	C	S	.	.			trans	-76.9	137.9	171.8	-175.8	16.3	0	0	0	111.4	I155 R157 Q164 N187	I155-D185 WeakPolarHBondContact O-CB 3.43Å; I155-D185 PolarHBondContact O-N 3.07Å; R157-D185 WeakPolarHBondContact CA-OD2 3.4Å; R157-D185 PolarHBondContact N-OD2 2.9Å; Q164-D185 PolarHBondContact NE2-O 2.91Å; D185-N187 WeakPolarHBondContact OD1-CB 3.39Å; D185-N187 PolarHBondContact OD1-N 3.11Å; D185-N187 PolarHBondContact OD1-ND2 3.42Å
186	T	90.6	Very high	90.1	Very high	65 Å²	65	69.1 Å²	69.1	40%	0.399	39%	0.394	S	S	.	.			trans	-124.6	6.2	-177.9	55.1	0	0	0	0	112.8	D165 R188	D165-T186 HydrophobicContact CB-CG2 3.71Å; D165-T186 WeakPolarHBondContact OD2-CG2 3.47Å; T186-R188 WeakPolarHBondContact O-CD 3.21Å; T186-R188 WeakPolarHBondContact O-CG 3.39Å; T186-R188 PolarHBondContact O-N 3.32Å; T186-R188 PolarHBondContact O-NH1 3.33Å
187	N	89.1	Confident	90.4	Very high	125 Å²	125	73.2 Å²	73.2	67%	0.668	42%	0.423	S	S	*	.			trans	-66.4	119.2	172.4	-68.8	-63.4	0	0	0	110.4	D185	D185-N187 WeakPolarHBondContact OD1-CB 3.39Å; D185-N187 PolarHBondContact OD1-N 3.11Å; D185-N187 PolarHBondContact OD1-ND2 3.42Å
188	R	87.1	Confident	90.6	Very high	70 Å²	70	79.4 Å²	79.4	26%	0.264	45%	0.453	S	S	.	.			trans	-136.2	140.2	-171.7	-66.6	157.1	177.8	134.6	-18.3	111.2	P159 L161 D165 T186 R190	P159-R188 CarbonylContact O-C 3.54Å; P159-R188 WeakPolarHBondContact O-CA 3.31Å; L161-R188 WeakPolarHBondContact O-CD 3.35Å; L161-R188 WeakPolarHBondContact O-CG 3.44Å; L161-R188 PolarHBondContact O-NE 3.46Å; D165-R188 IonicContact OD1-CZ 3.99Å; D165-R188 IonicContact OD1-NH1 3.74Å; D165-R188 IonicContact OD1-NH2 3.7Å; D165-R188 PolarHBondContact OD1-NH2 3.35Å; D165-R188 IonicContact OD2-CZ 3.87Å; D165-R188 VanDerWaalsContact OD2-CZ 3.31Å; D165-R188 IonicContact OD2-NH1 3.44Å; D165-R188 PolarHBondContact OD2-NH1 3.44Å; D165-R188 IonicContact OD2-NH2 2.72Å; D165-R188 PolarHBondContact OD2-NH2 2.97Å; T186-R188 WeakPolarHBondContact O-CD 3.21Å; T186-R188 WeakPolarHBondContact O-CG 3.39Å; T186-R188 PolarHBondContact O-N 3.32Å; T186-R188 PolarHBondContact O-NH1 3.33Å; R188-R190 WeakPolarHBondContact CB-O 3.48Å
189	S	86	Confident	91	Very high	101 Å²	101	72 Å²	72	71%	0.706	42%	0.419	S	S	*	.	S	Bend	trans	-87.1	-11.3	166.7	-48.1	0	0	0	0	112.4	P159	P159-S189 PolarHBondContact O-N 3.07Å
190	R	85.8	Confident	90.9	Very high	60 Å²	60	79.1 Å²	79.1	23%	0.226	45%	0.448	C	S	.	.	S	Bend	trans	-106.7	135.8	175.4	174.7	175.6	-176.2	-149	-0.6	111	R188 H193 E207	R188-R190 WeakPolarHBondContact CB-O 3.48Å; R190-H193 PolarHBondContact NH2-CD2 3.45Å; R190-E207 IonicContact CZ-OE1 3.08Å; R190-E207 IonicContact NH1-OE1 2.83Å; R190-E207 PolarHBondContact NH1-OE1 2.91Å; R190-E207 IonicContact NH2-OE1 3.48Å; R190-E207 PolarHBondContact NH2-OE1 2.79Å
191	A	89.3	Confident	91.1	Very high	89 Å²	89	79.4 Å²	79.4	74%	0.736	46%	0.455	S	S	*	.	P	Polyproline II helix	trans	-76.8	125.7	162.3	0	0	0	0	0	110.3
192	C	92	Very high	91.2	Very high	46 Å²	46	79.7 Å²	79.7	31%	0.311	46%	0.464	S	S	.	.	P	Polyproline II helix	trans	-84.3	144.7	178.8	-55.6	0	0	0	0	111.4	C162	C162-C192 WeakPolarHBondContact CA-SG 3.46Å; C162-C192 HydrophobicContact CB-CB 3.78Å; C162-C192 WeakPolarHBondContact CB-SG 3.28Å; C162-C192 VanDerWaalsContact SG-CA 3.53Å; C162-C192 WeakPolarHBondContact SG-CB 3.31Å; C162-C192 CovalentContact SG-SG 2.03Å; C162-C192 PolarHBondContact SG-SG 2.91Å
193	H	94.1	Very high	91.4	Very high	107 Å²	107	79.9 Å²	79.9	50%	0.495	46%	0.456	S	S	.	.	P	Polyproline II helix	trans	-72.5	157.1	167	-66	-65.2	0	0	0	110	Y163 R190 E207	Y163-H193 WeakPolarHBondContact CE1-O 3.31Å; Y163-H193 PolarHBondContact OH-N 2.88Å; Y163-H193 PolarHBondContact OH-O 3.23Å; R190-H193 PolarHBondContact NH2-CD2 3.45Å; H193-E207 HydrophobicContact CB-CG 4.29Å; H193-E207 IonicContact CD2-OE1 2.7Å; H193-E207 IonicContact CD2-OE2 2.67Å; H193-E207 PolarHBondContact CD2-OE2 2.78Å
194	P	94	Very high	91.5	Very high	112 Å²	112	76.2 Å²	76.2	73%	0.727	44%	0.437	S	S	*	.	P	Polyproline II helix	trans	-66.1	153.6	171.3	29.5	-35.6	0	0	0	111.1
195	C	94.3	Very high	91.6	Very high	18 Å²	18	74.2 Å²	74.2	12%	0.122	43%	0.427	C	S	.	.	P	Polyproline II helix	trans	-53.6	149.7	167.9	-67.6	0	0	0	0	111.2	C199 C204	C195-C199 HydrophobicContact CB-CB 4.32Å; C195-C204 WeakPolarHBondContact CA-SG 3.35Å; C195-C204 HydrophobicContact CB-CB 3.79Å; C195-C204 WeakPolarHBondContact CB-SG 3.21Å; C195-C204 WeakPolarHBondContact SG-CB 2.98Å; C195-C204 PolarHBondContact SG-N 3.41Å; C195-C204 VanDerWaalsContact SG-N 3.38Å; C195-C204 CovalentContact SG-SG 2.04Å; C195-C204 PolarHBondContact SG-SG 2.91Å
196	S	95.4	Very high	91.7	Very high	24 Å²	24	72.5 Å²	72.5	17%	0.168	42%	0.417	C	S	.	.	P	Polyproline II helix	trans	-50.5	136.4	174	-178	0	0	0	0	111.6	M198 C199	S196-M198 PolarHBondContact O-N 3.14Å; S196-C199 WeakPolarHBondContact O-CB 3.27Å; S196-C199 PolarHBondContact O-N 3.49Å; S196-C199 PolarHBondContact O-SG 3.34Å
197	P	93.9	Very high	91.8	Very high	134 Å²	134	73.2 Å²	73.2	87%	0.87	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-14.1	178.4	-27.6	35.9	0	0	0	115.3	C199	P197-C199 VanDerWaalsContact C-N 3.3Å
198	M	94.2	Very high	92	Very high	143 Å²	143	69.5 Å²	69.5	70%	0.704	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69	-26.5	171.7	-62.8	-60.6	-70.4	0	0	112.9	S196 K200	S196-M198 PolarHBondContact O-N 3.14Å; M198-K200 PolarHBondContact O-N 3.01Å
199	C	92.9	Very high	92.3	Very high	8 Å²	8	69.5 Å²	69.5	5%	0.054	41%	0.411	C	S	.	.	S	Bend	trans	-77.8	87.9	-176	-52	0	0	0	0	111	C195 S196 P197 G201 S202 C212	C195-C199 HydrophobicContact CB-CB 4.32Å; S196-C199 WeakPolarHBondContact O-CB 3.27Å; S196-C199 PolarHBondContact O-N 3.49Å; S196-C199 PolarHBondContact O-SG 3.34Å; P197-C199 VanDerWaalsContact C-N 3.3Å; C199-G201 PolarHBondContact O-N 2.58Å; C199-G201 VanDerWaalsContact O-N 3.16Å; C199-S202 PolarHBondContact O-N 3.22Å; C199-C212 WeakPolarHBondContact CA-SG 3.07Å; C199-C212 HydrophobicContact CB-CB 3.68Å; C199-C212 WeakPolarHBondContact CB-SG 3.45Å; C199-C212 PolarHBondContact N-SG 3.13Å; C199-C212 VanDerWaalsContact N-SG 3.44Å; C199-C212 WeakPolarHBondContact SG-CA 3.28Å; C199-C212 WeakPolarHBondContact SG-CB 3.44Å; C199-C212 CovalentContact SG-SG 2.04Å; C199-C212 PolarHBondContact SG-SG 3.05Å
200	K	85.1	Confident	92.7	Very high	201 Å²	201	70.7 Å²	70.7	87%	0.874	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	119.6	-178.6	-67.8	-170.4	179.1	-178.7	0	111.8	M198	M198-K200 PolarHBondContact O-N 3.01Å
201	G	88.7	Confident	93.2	Very high	51 Å²	51	68.1 Å²	68.1	53%	0.526	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	88.5	10.4	-175.1	0	0	0	0	0	114.8	C199 R203	C199-G201 PolarHBondContact O-N 2.58Å; C199-G201 VanDerWaalsContact O-N 3.16Å; G201-R203 WeakPolarHBondContact O-CG 3.39Å; G201-R203 PolarHBondContact O-N 2.85Å
202	S	93.3	Very high	93.5	Very high	87 Å²	87	65.3 Å²	65.3	61%	0.608	37%	0.371	S	S	*	.	S	Bend	trans	60.2	43.7	171.9	-50.7	0	0	0	0	114.4	C199	C199-S202 PolarHBondContact O-N 3.22Å
203	R	95.3	Very high	93.7	Very high	76 Å²	76	63.9 Å²	63.9	29%	0.287	36%	0.36	S	S	.	.			trans	-119.2	122.4	180	-47.7	-162.7	179.4	84.2	6.9	110.7	T166 G201 Q213	T166-R203 WeakPolarHBondContact O-CB 3.33Å; T166-R203 WeakPolarHBondContact O-CD 3.27Å; T166-R203 WeakPolarHBondContact O-CG 3.39Å; G201-R203 WeakPolarHBondContact O-CG 3.39Å; G201-R203 PolarHBondContact O-N 2.85Å; R203-Q213 HydrophobicContact CB-CB 3.91Å; R203-Q213 PolarHBondContact O-N 2.86Å
204	C	96.5	Very high	93.7	Very high	0 Å²	0	62 Å²	62	0%	0	36%	0.358	C	S	.	.	B	Isolated β-bridge	trans	-153.4	164	-177.7	63.1	0	0	0	0	111.6	Y163 T166 I167 C195 G206 D211	Y163-C204 WeakPolarHBondContact CB-O 3.42Å; Y163-C204 WeakPolarHBondContact CD1-SG 3.32Å; T166-C204 PolarHBondContact OG1-N 2.91Å; T166-C204 PolarHBondContact OG1-O 2.7Å; I167-C204 WeakPolarHBondContact CD1-O 3.18Å; C195-C204 WeakPolarHBondContact CA-SG 3.35Å; C195-C204 HydrophobicContact CB-CB 3.79Å; C195-C204 WeakPolarHBondContact CB-SG 3.21Å; C195-C204 WeakPolarHBondContact SG-CB 2.98Å; C195-C204 PolarHBondContact SG-N 3.41Å; C195-C204 VanDerWaalsContact SG-N 3.38Å; C195-C204 CovalentContact SG-SG 2.04Å; C195-C204 PolarHBondContact SG-SG 2.91Å; C204-G206 PolarHBondContact SG-O 3.23Å; C204-D211 CarbonylContact C-O 3.51Å; C204-D211 WeakPolarHBondContact CA-O 3.09Å
205	W	95.1	Very high	93.7	Very high	5 Å²	5	58.9 Å²	58.9	2%	0.019	34%	0.335	C	S	.	.	S	Bend	trans	-101.6	-2.5	175.2	-63.1	98.3	0	0	0	113.5	L140 Q141 L142 L145 I167 W169 I172 D211	L140-W205 HydrophobicContact CB-CE3 4.23Å; Q141-W205 PolarHBondContact N-O 3.05Å; L142-W205 HydrophobicContact CB-CD2 4.02Å; L142-W205 HydrophobicContact CB-CE3 3.84Å; L142-W205 HydrophobicContact CB-CH2 3.93Å; L142-W205 HydrophobicContact CB-CZ2 4.1Å; L142-W205 HydrophobicContact CB-CZ3 3.81Å; L142-W205 HydrophobicContact CD1-CH2 4.35Å; L142-W205 HydrophobicContact CD1-CZ3 4.03Å; L142-W205 HydrophobicContact CG-CE3 4.42Å; L142-W205 HydrophobicContact CG-CZ3 4.27Å; L142-W205 VanDerWaalsContact O-CE2 3.24Å; L142-W205 PolarHBondContact O-NE1 2.79Å; L145-W205 HydrophobicContact CB-CZ2 4.35Å; L145-W205 HydrophobicContact CD2-CH2 4.32Å; I167-W205 HydrophobicContact CD1-CD2 3.48Å; I167-W205 VanDerWaalsContact CD1-CD2 3.48Å; I167-W205 HydrophobicContact CD1-CE3 3.88Å; I167-W205 HydrophobicContact CD1-CG 3.84Å; I167-W205 HydrophobicContact CD1-CH2 4.37Å; I167-W205 HydrophobicContact CD1-CZ2 4.03Å; I167-W205 HydrophobicContact CD1-CZ3 4.29Å; I167-W205 HydrophobicContact CG1-CD2 3.99Å; I167-W205 HydrophobicContact CG1-CE3 3.82Å; I167-W205 HydrophobicContact CG1-CH2 4.17Å; I167-W205 HydrophobicContact CG1-CZ2 4.32Å; I167-W205 HydrophobicContact CG1-CZ3 3.91Å; I167-W205 HydrophobicContact CG2-CH2 3.92Å; I167-W205 HydrophobicContact CG2-CZ2 4.04Å; I167-W205 HydrophobicContact CG2-CZ3 4.42Å; W169-W205 AromaticContact CH2-CH2 3.68Å; W169-W205 HydrophobicContact CH2-CH2 3.68Å; W169-W205 AromaticContact CH2-CZ3 3.72Å; W169-W205 HydrophobicContact CH2-CZ3 3.72Å; W169-W205 HydrophobicContact CZ2-CH2 4.39Å; W169-W205 HydrophobicContact CZ2-CZ3 4.24Å; W169-W205 AromaticContact CZ3-CH2 3.87Å; W169-W205 HydrophobicContact CZ3-CH2 3.87Å; W169-W205 HydrophobicContact CZ3-CZ3 4.38Å; I172-W205 HydrophobicContact CD1-CH2 3.8Å; I172-W205 HydrophobicContact CD1-CZ2 3.6Å; W205-D211 HydrophobicContact CB-CB 4.27Å; W205-D211 PolarHBondContact N-O 2.96Å
206	G	93.5	Very high	93.8	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	33%	0.332	C	S	.	.	S	Bend	trans	-178.2	176.6	-172.8	0	0	0	0	0	112	E139 C204 S208	E139-G206 VanDerWaalsContact CD-CA 3.46Å; E139-G206 WeakPolarHBondContact OE1-CA 3.24Å; C204-G206 PolarHBondContact SG-O 3.23Å; G206-S208 PolarHBondContact O-N 3.26Å
207	E	92.8	Very high	93.7	Very high	81 Å²	81	61 Å²	61	38%	0.379	34%	0.338	S	S	.	.	S	Bend	trans	-65	-18.6	-177.4	-73	172.8	-142.6	0	0	114.3	E139 Y163 R190 H193	E139-E207 PolarHBondContact OE1-N 2.81Å; Y163-E207 HydrophobicContact CE2-CG 4.02Å; Y163-E207 WeakPolarHBondContact OH-CG 3.38Å; R190-E207 IonicContact CZ-OE1 3.08Å; R190-E207 IonicContact NH1-OE1 2.83Å; R190-E207 PolarHBondContact NH1-OE1 2.91Å; R190-E207 IonicContact NH2-OE1 3.48Å; R190-E207 PolarHBondContact NH2-OE1 2.79Å; H193-E207 HydrophobicContact CB-CG 4.29Å; H193-E207 IonicContact CD2-OE1 2.7Å; H193-E207 IonicContact CD2-OE2 2.67Å; H193-E207 PolarHBondContact CD2-OE2 2.78Å
208	S	93.6	Very high	93.7	Very high	47 Å²	47	57.5 Å²	57.5	33%	0.329	31%	0.314	S	S	.	.	S	Bend	trans	-76.9	154.5	-172.7	-167.9	0	0	0	0	114.6	G206 E210 D211	G206-S208 PolarHBondContact O-N 3.26Å; S208-E210 PolarHBondContact O-N 3.39Å; S208-E210 PolarHBondContact OG-N 3.42Å; S208-E210 VanDerWaalsContact OG-N 3.12Å; S208-D211 WeakPolarHBondContact CB-OD2 3.49Å; S208-D211 PolarHBondContact O-N 3.31Å
209	S	93.7	Very high	93.7	Very high	70 Å²	70	53.4 Å²	53.4	49%	0.49	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68	-16.1	163.3	50.7	0	0	0	0	113.7	C212	S209-C212 PolarHBondContact O-SG 2.79Å; S209-C212 VanDerWaalsContact O-SG 3.38Å
210	E	94.4	Very high	93.7	Very high	125 Å²	125	54.3 Å²	54.3	58%	0.584	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.5	-15.6	172.5	-63.4	-171.1	-173.2	0	0	113.2	R143 S208	R143-E210 IonicContact CZ-OE2 3.17Å; R143-E210 VanDerWaalsContact CZ-OE2 3.27Å; R143-E210 VanDerWaalsContact NH1-CB 3.33Å; R143-E210 IonicContact NH1-OE2 2.73Å; R143-E210 PolarHBondContact NH1-OE2 3.25Å; R143-E210 IonicContact NH2-OE2 2.69Å; R143-E210 PolarHBondContact NH2-OE2 3.4Å; S208-E210 PolarHBondContact O-N 3.39Å; S208-E210 PolarHBondContact OG-N 3.42Å; S208-E210 VanDerWaalsContact OG-N 3.12Å
211	D	94.8	Very high	93.9	Very high	7 Å²	7	45.7 Å²	45.7	4%	0.037	27%	0.27	C	S	.	.			trans	-96.7	7.7	-174.9	-62.7	-41.3	0	0	0	113	R143 C204 W205 S208 Q213	R143-D211 WeakPolarHBondContact CD-OD1 3.36Å; R143-D211 IonicContact NH1-OD1 2.86Å; C204-D211 CarbonylContact C-O 3.51Å; C204-D211 WeakPolarHBondContact CA-O 3.09Å; W205-D211 HydrophobicContact CB-CB 4.27Å; W205-D211 PolarHBondContact N-O 2.96Å; S208-D211 WeakPolarHBondContact CB-OD2 3.49Å; S208-D211 PolarHBondContact O-N 3.31Å; D211-Q213 PolarHBondContact O-N 2.95Å
212	C	96.1	Very high	93.9	Very high	30 Å²	30	47.3 Å²	47.3	20%	0.203	29%	0.286	C	S	.	.	B	Isolated β-bridge	trans	-57.4	135.2	173.2	-57.8	0	0	0	0	111.2	C199 S209 S214	C199-C212 WeakPolarHBondContact CA-SG 3.07Å; C199-C212 HydrophobicContact CB-CB 3.68Å; C199-C212 WeakPolarHBondContact CB-SG 3.45Å; C199-C212 PolarHBondContact N-SG 3.13Å; C199-C212 VanDerWaalsContact N-SG 3.44Å; C199-C212 WeakPolarHBondContact SG-CA 3.28Å; C199-C212 WeakPolarHBondContact SG-CB 3.44Å; C199-C212 CovalentContact SG-SG 2.04Å; C199-C212 PolarHBondContact SG-SG 3.05Å; S209-C212 PolarHBondContact O-SG 2.79Å; S209-C212 VanDerWaalsContact O-SG 3.38Å; C212-S214 PolarHBondContact O-N 2.64Å
213	Q	96	Very high	93.4	Very high	16 Å²	16	47.4 Å²	47.4	8%	0.075	30%	0.301	C	S	.	.	P	Polyproline II helix	trans	-65.6	119.1	178.5	-169.2	-169.6	2.8	0	0	110.5	I167 L168 R203 D211 L215	I167-Q213 HydrophobicContact CD1-CB 4.2Å; I167-Q213 HydrophobicContact CD1-CG 4.35Å; L168-Q213 PolarHBondContact O-NE2 2.98Å; R203-Q213 HydrophobicContact CB-CB 3.91Å; R203-Q213 PolarHBondContact O-N 2.86Å; D211-Q213 PolarHBondContact O-N 2.95Å; Q213-L215 HydrophobicContact CB-CD1 4.29Å; Q213-L215 HydrophobicContact CG-CD1 4.11Å; Q213-L215 WeakPolarHBondContact O-CD1 3.5Å
214	S	94.3	Very high	93.1	Very high	66 Å²	66	45.7 Å²	45.7	46%	0.462	30%	0.3	S	S	.	.	P	Polyproline II helix	trans	-73.8	126.8	167.6	-169.5	0	0	0	0	109.7	C212	C212-S214 PolarHBondContact O-N 2.64Å
215	L	94.8	Very high	92.9	Very high	48 Å²	48	47.6 Å²	47.6	25%	0.251	32%	0.316	S	S	.	.	P	Polyproline II helix	trans	-100.1	127.2	177.2	-85	65.6	0	0	0	109.3	L168 D171 Q213 V219	L168-L215 HydrophobicContact CD2-CD2 4.12Å; D171-L215 HydrophobicContact CB-CG 4.49Å; D171-L215 WeakPolarHBondContact OD2-CA 3.1Å; Q213-L215 HydrophobicContact CB-CD1 4.29Å; Q213-L215 HydrophobicContact CG-CD1 4.11Å; Q213-L215 WeakPolarHBondContact O-CD1 3.5Å; L215-V219 HydrophobicContact CB-CB 4.35Å; L215-V219 HydrophobicContact CB-CG1 4.18Å; L215-V219 WeakPolarHBondContact O-CG1 3.09Å
216	T	95.4	Very high	92.9	Very high	9 Å²	9	47.6 Å²	47.6	6%	0.055	32%	0.316	C	S	.	.	S	Bend	trans	-134.5	2.2	-174.8	59.4	0	0	0	0	113.9	T146 D171 C220 R226 C227	T146-T216 HydrophobicContact CG2-CG2 4.26Å; D171-T216 PolarHBondContact OD2-N 3.18Å; T216-C220 PolarHBondContact O-SG 3.46Å; T216-R226 CarbonylContact O-C 3.53Å; T216-R226 VanDerWaalsContact O-CA 3.3Å; T216-R226 WeakPolarHBondContact O-CA 3.39Å; T216-R226 WeakPolarHBondContact O-CD 3.08Å; T216-R226 PolarHBondContact OG1-NH1 2.57Å; T216-C227 WeakPolarHBondContact CA-O 3.47Å; T216-C227 WeakPolarHBondContact CB-O 3.41Å; T216-C227 PolarHBondContact O-N 2.81Å
217	R	94.3	Very high	93	Very high	77 Å²	77	47.6 Å²	47.6	29%	0.291	32%	0.316	S	S	.	.	S	Bend	trans	-124.8	-50.8	177.1	-177.4	-174.5	168.5	-156.8	-7.7	113.3	K170 D171 F173 H174 C220	K170-R217 PolarHBondContact O-NH1 3.25Å; D171-R217 WeakPolarHBondContact O-CB 3.42Å; D171-R217 PolarHBondContact OD1-N 3.21Å; D171-R217 PolarHBondContact OD2-N 3.29Å; F173-R217 WeakPolarHBondContact O-CD 3.44Å; F173-R217 PolarHBondContact O-NH1 3.41Å; H174-R217 PolarHBondContact O-NH1 2.82Å; R217-C220 PolarHBondContact O-SG 3.19Å
218	T	93.3	Very high	93.1	Very high	60 Å²	60	50.2 Å²	50.2	37%	0.368	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.6	-8.5	-171.4	62.5	0	0	0	0	114.3	K170 D171	K170-T218 HydrophobicContact CG-CG2 4.17Å; D171-T218 HydrophobicContact CB-CG2 4.04Å; D171-T218 WeakPolarHBondContact OD1-CA 3.46Å; D171-T218 VanDerWaalsContact OD1-CB 3.28Å; D171-T218 WeakPolarHBondContact OD1-CB 3.47Å; D171-T218 WeakPolarHBondContact OD1-CG2 3.18Å; D171-T218 PolarHBondContact OD1-N 3.48Å; D171-T218 PolarHBondContact OD1-OG1 3.36Å
219	V	93.5	Very high	93	Very high	58 Å²	58	48.5 Å²	48.5	35%	0.352	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.1	-9.3	175.7	70.7	0	0	0	0	112.8	L215 P230	L215-V219 HydrophobicContact CB-CB 4.35Å; L215-V219 HydrophobicContact CB-CG1 4.18Å; L215-V219 WeakPolarHBondContact O-CG1 3.09Å; V219-P230 HydrophobicContact CG2-CB 4.3Å; V219-P230 WeakPolarHBondContact O-CA 3.37Å
220	C	93.3	Very high	93	Very high	26 Å²	26	49.2 Å²	49.2	18%	0.176	32%	0.319	C	S	.	.	S	Bend	trans	-74.6	158	-168.3	-51.8	0	0	0	0	114.3	T216 R217 C224 C227	T216-C220 PolarHBondContact O-SG 3.46Å; R217-C220 PolarHBondContact O-SG 3.19Å; C220-C224 HydrophobicContact CB-CB 4.37Å; C220-C227 WeakPolarHBondContact CA-SG 3.24Å; C220-C227 HydrophobicContact CB-CB 3.73Å; C220-C227 WeakPolarHBondContact CB-SG 3.21Å; C220-C227 WeakPolarHBondContact SG-CB 3.21Å; C220-C227 PolarHBondContact SG-N 2.86Å; C220-C227 VanDerWaalsContact SG-N 3.38Å; C220-C227 CovalentContact SG-SG 2.03Å; C220-C227 PolarHBondContact SG-SG 2.79Å
221	A	90.2	Very high	92.9	Very high	21 Å²	21	48 Å²	48	17%	0.174	32%	0.316	C	S	.	.	P	Polyproline II helix	trans	-64	151.4	165.5	0	0	0	0	0	111.8	G223 C224 P232	A221-G223 PolarHBondContact O-N 3.04Å; A221-C224 PolarHBondContact O-N 2.84Å; A221-P232 HydrophobicContact CB-CB 4.25Å; A221-P232 HydrophobicContact CB-CG 3.82Å
222	G	87.1	Confident	92.7	Very high	85 Å²	85	52.4 Å²	52.4	88%	0.876	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	135.1	179.5	0	0	0	0	0	112.6
223	G	84.4	Confident	92.5	Very high	89 Å²	89	56.2 Å²	56.2	92%	0.918	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	99.9	-19.3	-176.6	0	0	0	0	0	114.3	A221	A221-G223 PolarHBondContact O-N 3.04Å
224	C	88.9	Confident	92.4	Very high	39 Å²	39	57.6 Å²	57.6	26%	0.264	38%	0.375	S	S	.	.			trans	-90.6	133.3	-178.4	-52.1	0	0	0	0	112.1	C220 A221 C235	C220-C224 HydrophobicContact CB-CB 4.37Å; A221-C224 PolarHBondContact O-N 2.84Å; C224-C235 HydrophobicContact CB-CB 3.68Å; C224-C235 WeakPolarHBondContact CB-SG 3.33Å; C224-C235 WeakPolarHBondContact SG-CB 3.3Å; C224-C235 CovalentContact SG-SG 2.02Å; C224-C235 PolarHBondContact SG-SG 2.94Å
225	A	90.8	Very high	92.4	Very high	41 Å²	41	55.2 Å²	55.2	34%	0.339	36%	0.359	S	S	.	.	S	Bend	trans	-73.2	-41.5	174.9	0	0	0	0	0	112.3
226	R	95.2	Very high	92.5	Very high	5 Å²	5	53.8 Å²	53.8	2%	0.019	35%	0.352	C	S	.	.	S	Bend	trans	-140.9	155.1	178.9	-69.8	-70.3	-174.6	172.3	-10.5	110.6	T146 E147 D171 I172 T216 C236 A241	T146-R226 VanDerWaalsContact O-CZ 3.23Å; T146-R226 PolarHBondContact O-NH1 2.88Å; T146-R226 PolarHBondContact O-NH2 3.45Å; E147-R226 IonicContact OE1-CZ 3.5Å; E147-R226 IonicContact OE1-NH2 2.71Å; E147-R226 PolarHBondContact OE1-NH2 2.94Å; E147-R226 IonicContact OE2-CZ 3.54Å; E147-R226 VanDerWaalsContact OE2-CZ 3.26Å; E147-R226 IonicContact OE2-NE 2.72Å; E147-R226 PolarHBondContact OE2-NE 3.2Å; E147-R226 IonicContact OE2-NH2 2.72Å; E147-R226 PolarHBondContact OE2-NH2 2.9Å; D171-R226 PolarHBondContact O-NH1 3.31Å; D171-R226 VanDerWaalsContact O-NH1 3.11Å; D171-R226 PolarHBondContact O-NH2 3.16Å; I172-R226 PolarHBondContact O-NH2 3.19Å; I172-R226 VanDerWaalsContact O-NH2 3.14Å; T216-R226 CarbonylContact O-C 3.53Å; T216-R226 VanDerWaalsContact O-CA 3.3Å; T216-R226 WeakPolarHBondContact O-CA 3.39Å; T216-R226 WeakPolarHBondContact O-CD 3.08Å; T216-R226 PolarHBondContact OG1-NH1 2.57Å; R226-C236 HydrophobicContact CB-CB 4.14Å; R226-C236 PolarHBondContact O-N 2.83Å; R226-A241 VanDerWaalsContact CD-O 3.28Å; R226-A241 WeakPolarHBondContact CD-O 3.29Å; R226-A241 VanDerWaalsContact CG-O 3.31Å; R226-A241 WeakPolarHBondContact CG-O 3.4Å; R226-A241 PolarHBondContact NE-O 2.91Å
227	C	95.7	Very high	92.5	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	37%	0.365	C	S	.	.	B	Isolated β-bridge	trans	-151.4	163.7	178.9	63.4	0	0	0	0	112.6	T216 C220 G229 D234 C236	T216-C227 WeakPolarHBondContact CA-O 3.47Å; T216-C227 WeakPolarHBondContact CB-O 3.41Å; T216-C227 PolarHBondContact O-N 2.81Å; C220-C227 WeakPolarHBondContact CA-SG 3.24Å; C220-C227 HydrophobicContact CB-CB 3.73Å; C220-C227 WeakPolarHBondContact CB-SG 3.21Å; C220-C227 WeakPolarHBondContact SG-CB 3.21Å; C220-C227 PolarHBondContact SG-N 2.86Å; C220-C227 VanDerWaalsContact SG-N 3.38Å; C220-C227 CovalentContact SG-SG 2.03Å; C220-C227 PolarHBondContact SG-SG 2.79Å; C227-G229 WeakPolarHBondContact CB-O 3.33Å; C227-G229 PolarHBondContact SG-O 2.87Å; C227-D234 CarbonylContact C-O 3.58Å; C227-D234 WeakPolarHBondContact CA-O 3.28Å; C227-D234 WeakPolarHBondContact CB-O 3.41Å; C227-C236 VanDerWaalsContact CA-SG 3.52Å
228	K	95.4	Very high	92.5	Very high	135 Å²	135	60.1 Å²	60.1	59%	0.587	39%	0.385	S	S	*	.	S	Bend	trans	-92	-11.9	170.1	-171.9	-179.9	178.5	-172.9	0	112.8	D234 T245	K228-D234 HydrophobicContact CB-CB 4.43Å; K228-D234 PolarHBondContact N-O 3.45Å; K228-T245 PolarHBondContact NZ-O 3.38Å
229	G	92.6	Very high	92.6	Very high	11 Å²	11	58.4 Å²	58.4	11%	0.113	37%	0.372	C	S	.	.	S	Bend	trans	-176.6	-178.6	-170.6	0	0	0	0	0	112.9	C227 D234	C227-G229 WeakPolarHBondContact CB-O 3.33Å; C227-G229 PolarHBondContact SG-O 2.87Å; G229-D234 WeakPolarHBondContact CA-OD2 3.43Å
230	P	92.4	Very high	92.7	Very high	86 Å²	86	55.8 Å²	55.8	56%	0.558	36%	0.357	S	S	*	.	S	Bend	trans	-82.6	-10.3	-170	33.7	-36.7	0	0	0	115.2	V219 D234	V219-P230 HydrophobicContact CG2-CB 4.3Å; V219-P230 WeakPolarHBondContact O-CA 3.37Å; P230-D234 WeakPolarHBondContact CD-OD2 3.39Å
231	L	92.6	Very high	92.7	Very high	99 Å²	99	54.6 Å²	54.6	52%	0.518	35%	0.348	S	S	.	.	S	Bend	trans	-86.8	152	-177.8	-56.2	176.3	0	0	0	111	T233 D234	L231-T233 WeakPolarHBondContact CB-OG1 3.2Å; L231-T233 PolarHBondContact O-N 2.98Å; L231-T233 VanDerWaalsContact O-N 3.11Å; L231-D234 WeakPolarHBondContact CB-OD2 3.42Å; L231-D234 PolarHBondContact N-OD2 2.93Å; L231-D234 WeakPolarHBondContact O-CB 3.4Å; L231-D234 PolarHBondContact O-N 3.03Å
232	P	89.8	Confident	92.9	Very high	100 Å²	100	53.6 Å²	53.6	65%	0.649	34%	0.341	S	S	*	.	G	3₁₀ helix	trans	-57.4	-24.5	170.9	-24	33.5	0	0	0	113.8	A221 D234 C235	A221-P232 HydrophobicContact CB-CB 4.25Å; A221-P232 HydrophobicContact CB-CG 3.82Å; P232-D234 VanDerWaalsContact C-N 3.28Å; P232-C235 PolarHBondContact O-SG 3.47Å
233	T	92.5	Very high	93.2	Very high	109 Å²	109	49.6 Å²	49.6	67%	0.669	30%	0.299	S	S	*	.	G	3₁₀ helix	trans	-73.8	-16.6	173.9	50.4	0	0	0	0	114	L231 C235	L231-T233 WeakPolarHBondContact CB-OG1 3.2Å; L231-T233 PolarHBondContact O-N 2.98Å; L231-T233 VanDerWaalsContact O-N 3.11Å; T233-C235 VanDerWaalsContact C-N 3.34Å
234	D	94.4	Very high	93.8	Very high	45 Å²	45	45.7 Å²	45.7	24%	0.241	26%	0.258	C	S	.	.	G	3₁₀ helix	trans	-92.5	0.6	-179.5	-50.7	-28.1	0	0	0	111.8	C227 K228 G229 P230 L231 P232	C227-D234 CarbonylContact C-O 3.58Å; C227-D234 WeakPolarHBondContact CA-O 3.28Å; C227-D234 WeakPolarHBondContact CB-O 3.41Å; K228-D234 HydrophobicContact CB-CB 4.43Å; K228-D234 PolarHBondContact N-O 3.45Å; G229-D234 WeakPolarHBondContact CA-OD2 3.43Å; P230-D234 WeakPolarHBondContact CD-OD2 3.39Å; L231-D234 WeakPolarHBondContact CB-OD2 3.42Å; L231-D234 PolarHBondContact N-OD2 2.93Å; L231-D234 WeakPolarHBondContact O-CB 3.4Å; L231-D234 PolarHBondContact O-N 3.03Å; P232-D234 VanDerWaalsContact C-N 3.28Å
235	C	94.8	Very high	94.2	Very high	17 Å²	17	47.8 Å²	47.8	12%	0.115	27%	0.269	C	S	.	.	B	Isolated β-bridge	trans	-69.8	140.5	-179.3	-65.4	0	0	0	0	112	C224 P232 T233	C224-C235 HydrophobicContact CB-CB 3.68Å; C224-C235 WeakPolarHBondContact CB-SG 3.33Å; C224-C235 WeakPolarHBondContact SG-CB 3.3Å; C224-C235 CovalentContact SG-SG 2.02Å; C224-C235 PolarHBondContact SG-SG 2.94Å; P232-C235 PolarHBondContact O-SG 3.47Å; T233-C235 VanDerWaalsContact C-N 3.34Å
236	C	96	Very high	94.3	Very high	18 Å²	18	46.6 Å²	46.6	12%	0.122	26%	0.261	C	S	.	.	P	Polyproline II helix	trans	-82.3	162.4	179.8	-58.1	0	0	0	0	111.6	R226 C227 C240 C244	R226-C236 HydrophobicContact CB-CB 4.14Å; R226-C236 PolarHBondContact O-N 2.83Å; C227-C236 VanDerWaalsContact CA-SG 3.52Å; C236-C240 HydrophobicContact CB-CB 3.82Å; C236-C244 WeakPolarHBondContact CA-SG 3.4Å; C236-C244 HydrophobicContact CB-CB 3.64Å; C236-C244 WeakPolarHBondContact CB-SG 3.3Å; C236-C244 WeakPolarHBondContact SG-CB 3.31Å; C236-C244 PolarHBondContact SG-N 2.99Å; C236-C244 CovalentContact SG-SG 2.03Å; C236-C244 PolarHBondContact SG-SG 3.02Å
237	H	96	Very high	94.2	Very high	68 Å²	68	50.4 Å²	50.4	32%	0.315	29%	0.286	S	S	.	.	P	Polyproline II helix	trans	-59.3	148.3	166.5	-162	-100.2	0	0	0	110.7	Q239 C240 P247 H249	H237-Q239 PolarHBondContact ND1-N 2.86Å; H237-Q239 PolarHBondContact O-N 2.91Å; H237-Q239 VanDerWaalsContact O-N 3.16Å; H237-C240 VanDerWaalsContact O-CB 3.26Å; H237-C240 WeakPolarHBondContact O-CB 3.47Å; H237-C240 PolarHBondContact O-N 3.47Å; H237-C240 PolarHBondContact O-SG 2.7Å; H237-P247 PolarHBondContact N-O 3.47Å; H237-H249 HydrophobicContact CB-CB 4.48Å
238	E	93.7	Very high	94.1	Very high	151 Å²	151	56.4 Å²	56.4	71%	0.706	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	-28.6	-177.1	-174.3	166.1	-130.6	0	0	113.4	C240	E238-C240 VanDerWaalsContact C-N 3.29Å; E238-C240 PolarHBondContact O-N 3.01Å
239	Q	95.3	Very high	93.9	Very high	23 Å²	23	53.3 Å²	53.3	11%	0.107	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83	4.8	175.3	-57.5	-57.6	-40.3	0	0	114.2	H237 L256 H257 C264	H237-Q239 PolarHBondContact ND1-N 2.86Å; H237-Q239 PolarHBondContact O-N 2.91Å; H237-Q239 VanDerWaalsContact O-N 3.16Å; Q239-L256 PolarHBondContact O-N 3.39Å; Q239-H257 PolarHBondContact OE1-ND1 3.16Å; Q239-C264 HydrophobicContact CB-CB 3.86Å; Q239-C264 WeakPolarHBondContact CB-O 3.23Å
240	C	95.7	Very high	94	Very high	4 Å²	4	55.4 Å²	55.4	3%	0.027	31%	0.313	C	S	.	.	B	Isolated β-bridge	trans	-89.9	129.1	173.7	-58.6	0	0	0	0	111.6	C236 H237 E238 C252	C236-C240 HydrophobicContact CB-CB 3.82Å; H237-C240 VanDerWaalsContact O-CB 3.26Å; H237-C240 WeakPolarHBondContact O-CB 3.47Å; H237-C240 PolarHBondContact O-N 3.47Å; H237-C240 PolarHBondContact O-SG 2.7Å; E238-C240 VanDerWaalsContact C-N 3.29Å; E238-C240 PolarHBondContact O-N 3.01Å; C240-C252 WeakPolarHBondContact CA-SG 3.46Å; C240-C252 HydrophobicContact CB-CB 3.63Å; C240-C252 WeakPolarHBondContact CB-SG 3.41Å; C240-C252 WeakPolarHBondContact SG-CA 3.49Å; C240-C252 WeakPolarHBondContact SG-CB 3.37Å; C240-C252 CovalentContact SG-SG 2.03Å; C240-C252 PolarHBondContact SG-SG 2.97Å
241	A	93.3	Very high	94.2	Very high	0 Å²	0	53 Å²	53	0%	0	30%	0.295	C	S	.	.	S	Bend	trans	-102	-62.6	-177.7	0	0	0	0	0	112.7	I101 E147 L149 R226 G243 A254 L256	I101-A241 HydrophobicContact CD1-CB 3.78Å; E147-A241 HydrophobicContact CG-CB 4.04Å; L149-A241 HydrophobicContact CD2-CB 4.46Å; R226-A241 VanDerWaalsContact CD-O 3.28Å; R226-A241 WeakPolarHBondContact CD-O 3.29Å; R226-A241 VanDerWaalsContact CG-O 3.31Å; R226-A241 WeakPolarHBondContact CG-O 3.4Å; R226-A241 PolarHBondContact NE-O 2.91Å; A241-G243 PolarHBondContact O-N 2.83Å; A241-A254 PolarHBondContact N-O 2.76Å; A241-L256 HydrophobicContact CB-CB 4.29Å; A241-L256 HydrophobicContact CB-CD1 4.32Å
242	A	93.8	Very high	94.4	Very high	1 Å²	1	49.4 Å²	49.4	1%	0.008	28%	0.278	C	S	.	.	S	Bend	trans	-74.6	19.3	-179.1	0	0	0	0	0	114.8	R100 T146 E147 L253 A254	R100-A242 HydrophobicContact CB-CB 4.03Å; T146-A242 WeakPolarHBondContact OG1-CA 3.5Å; T146-A242 WeakPolarHBondContact OG1-CB 3.27Å; T146-A242 PolarHBondContact OG1-O 3.29Å; T146-A242 VanDerWaalsContact OG1-O 3.11Å; E147-A242 HydrophobicContact CB-CB 4.46Å; A242-L253 HydrophobicContact CB-CB 4.02Å; A242-L253 WeakPolarHBondContact O-CD1 3.27Å; A242-A254 HydrophobicContact CB-CB 3.7Å
243	G	95.1	Very high	94.6	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	26%	0.264	C	S	.	.			trans	84.2	-164.3	-166.6	0	0	0	0	0	113.3	A241 L253	A241-G243 PolarHBondContact O-N 2.83Å; G243-L253 PolarHBondContact O-N 2.85Å
244	C	96.5	Very high	94.7	Very high	8 Å²	8	43 Å²	43	5%	0.054	23%	0.234	C	C	.	.	B	Isolated β-bridge	trans	-154.7	161.3	-168.8	60.7	0	0	0	0	114.1	C236 G246 D251	C236-C244 WeakPolarHBondContact CA-SG 3.4Å; C236-C244 HydrophobicContact CB-CB 3.64Å; C236-C244 WeakPolarHBondContact CB-SG 3.3Å; C236-C244 WeakPolarHBondContact SG-CB 3.31Å; C236-C244 PolarHBondContact SG-N 2.99Å; C236-C244 CovalentContact SG-SG 2.03Å; C236-C244 PolarHBondContact SG-SG 3.02Å; C244-G246 VanDerWaalsContact CB-O 3.25Å; C244-G246 WeakPolarHBondContact CB-O 3.42Å; C244-G246 PolarHBondContact SG-O 3.29Å; C244-D251 CarbonylContact C-O 3.58Å; C244-D251 WeakPolarHBondContact CA-O 3.48Å
245	T	95.9	Very high	94.7	Very high	83 Å²	83	41 Å²	41	51%	0.509	22%	0.224	S	C	.	.	S	Bend	trans	-91.1	-20.3	171.3	61.7	0	0	0	0	112.8	K228 D251 L253	K228-T245 PolarHBondContact NZ-O 3.38Å; T245-D251 PolarHBondContact N-O 2.93Å; T245-D251 PolarHBondContact OG1-O 3.07Å; T245-L253 HydrophobicContact CG2-CD2 3.86Å
246	G	93	Very high	94.7	Very high	16 Å²	16	41.5 Å²	41.5	17%	0.165	23%	0.226	C	C	.	.	S	Bend	trans	-164.9	-178.4	-178.5	0	0	0	0	0	110.9	C244 D251	C244-G246 VanDerWaalsContact CB-O 3.25Å; C244-G246 WeakPolarHBondContact CB-O 3.42Å; C244-G246 PolarHBondContact SG-O 3.29Å; G246-D251 WeakPolarHBondContact CA-OD2 3.33Å; G246-D251 WeakPolarHBondContact O-CB 3.37Å
247	P	93.2	Very high	94.5	Very high	84 Å²	84	43.9 Å²	43.9	55%	0.545	24%	0.235	S	C	.	.	S	Bend	trans	-84	-5.7	-169.2	33.6	-36.7	0	0	0	115.4	H237	H237-P247 PolarHBondContact N-O 3.47Å
248	K	93.5	Very high	94.3	Very high	127 Å²	127	42.5 Å²	42.5	55%	0.552	23%	0.228	S	C	*	.	S	Bend	trans	-88.5	160.4	-176.7	-56.4	172.8	174.6	-178	0	112.6	S250 D251	K248-S250 WeakPolarHBondContact CB-OG 3.4Å; K248-S250 PolarHBondContact O-N 2.98Å; K248-D251 HydrophobicContact CB-CB 4.49Å; K248-D251 WeakPolarHBondContact CB-OD2 3.14Å; K248-D251 PolarHBondContact N-OD2 3.22Å; K248-D251 WeakPolarHBondContact O-CB 3.43Å; K248-D251 PolarHBondContact O-N 3.48Å
249	H	92.7	Very high	94.3	Very high	70 Å²	70	37.9 Å²	37.9	32%	0.324	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-18	168.9	55.2	84.2	0	0	0	114.2	H237 D251 I263 C264	H237-H249 HydrophobicContact CB-CB 4.48Å; H249-D251 VanDerWaalsContact C-N 3.34Å; H249-I263 VanDerWaalsContact ND1-CG2 3.25Å; H249-I263 WeakPolarHBondContact ND1-CG2 3.41Å; H249-C264 PolarHBondContact O-N 3.39Å
250	S	94.8	Very high	94.2	Very high	54 Å²	54	38.3 Å²	38.3	38%	0.378	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-14.4	170.7	51.9	0	0	0	0	114.1	K248	K248-S250 WeakPolarHBondContact CB-OG 3.4Å; K248-S250 PolarHBondContact O-N 2.98Å
251	D	96	Very high	93.9	Very high	35 Å²	35	43.3 Å²	43.3	19%	0.187	25%	0.245	C	C	.	.	S	Bend	trans	-103.6	-0.1	-165.4	-52.4	-10.4	0	0	0	111.9	C244 T245 G246 K248 H249	C244-D251 CarbonylContact C-O 3.58Å; C244-D251 WeakPolarHBondContact CA-O 3.48Å; T245-D251 PolarHBondContact N-O 2.93Å; T245-D251 PolarHBondContact OG1-O 3.07Å; G246-D251 WeakPolarHBondContact CA-OD2 3.33Å; G246-D251 WeakPolarHBondContact O-CB 3.37Å; K248-D251 HydrophobicContact CB-CB 4.49Å; K248-D251 WeakPolarHBondContact CB-OD2 3.14Å; K248-D251 PolarHBondContact N-OD2 3.22Å; K248-D251 WeakPolarHBondContact O-CB 3.43Å; K248-D251 PolarHBondContact O-N 3.48Å; H249-D251 VanDerWaalsContact C-N 3.34Å
252	C	96	Very high	93.6	Very high	24 Å²	24	45.3 Å²	45.3	16%	0.162	27%	0.265	C	S	.	.	B	Isolated β-bridge	trans	-65.7	149.7	-176.9	-55.3	0	0	0	0	113.1	C240 C264	C240-C252 WeakPolarHBondContact CA-SG 3.46Å; C240-C252 HydrophobicContact CB-CB 3.63Å; C240-C252 WeakPolarHBondContact CB-SG 3.41Å; C240-C252 WeakPolarHBondContact SG-CA 3.49Å; C240-C252 WeakPolarHBondContact SG-CB 3.37Å; C240-C252 CovalentContact SG-SG 2.03Å; C240-C252 PolarHBondContact SG-SG 2.97Å; C252-C264 VanDerWaalsContact CB-SG 3.51Å
253	L	94.9	Very high	93.6	Very high	69 Å²	69	48.2 Å²	48.2	36%	0.361	28%	0.28	S	S	.	.	S	Bend	trans	-84.9	-23.2	174	-66.8	176.3	0	0	0	113.5	R100 A242 G243 T245	R100-L253 WeakPolarHBondContact CD-O 3.1Å; A242-L253 HydrophobicContact CB-CB 4.02Å; A242-L253 WeakPolarHBondContact O-CD1 3.27Å; G243-L253 PolarHBondContact O-N 2.85Å; T245-L253 HydrophobicContact CG2-CD2 3.86Å
254	A	93.9	Very high	93.6	Very high	5 Å²	5	48.5 Å²	48.5	4%	0.041	28%	0.282	C	S	.	.	S	Bend	trans	-158	148.2	167.5	0	0	0	0	0	108.2	I101 A241 A242	I101-A254 HydrophobicContact CB-CB 4.43Å; I101-A254 HydrophobicContact CD1-CB 4.4Å; I101-A254 HydrophobicContact CG2-CB 3.97Å; A241-A254 PolarHBondContact N-O 2.76Å; A242-A254 HydrophobicContact CB-CB 3.7Å
255	C	94.9	Very high	93.3	Very high	5 Å²	5	50.6 Å²	50.6	3%	0.034	29%	0.291	C	S	.	.	B	Isolated β-bridge	trans	-84.9	139.3	179.3	-57.6	0	0	0	0	111.6	R103 N259 C264	R103-C255 PolarHBondContact NH1-O 2.97Å; R103-C255 PolarHBondContact NH2-O 3.16Å; C255-N259 HydrophobicContact CB-CB 4.38Å; C255-C264 WeakPolarHBondContact CA-SG 3.45Å; C255-C264 HydrophobicContact CB-CB 3.59Å; C255-C264 WeakPolarHBondContact CB-SG 3.18Å; C255-C264 WeakPolarHBondContact SG-CA 3.44Å; C255-C264 WeakPolarHBondContact SG-CB 3.48Å; C255-C264 CovalentContact SG-SG 2.03Å; C255-C264 PolarHBondContact SG-SG 3.16Å
256	L	94.4	Very high	93.1	Very high	27 Å²	27	50.5 Å²	50.5	14%	0.141	29%	0.287	C	S	.	.	S	Bend	trans	-62.9	-52.8	176.1	-176.5	61.5	0	0	0	110.9	R103 L149 Q239 A241	R103-L256 PolarHBondContact NH1-O 3.34Å; L149-L256 HydrophobicContact CD1-CD1 4.44Å; L149-L256 HydrophobicContact CD2-CD1 3.58Å; Q239-L256 PolarHBondContact O-N 3.39Å; A241-L256 HydrophobicContact CB-CB 4.29Å; A241-L256 HydrophobicContact CB-CD1 4.32Å
257	H	92.2	Very high	92.9	Very high	67 Å²	67	55.6 Å²	55.6	31%	0.31	31%	0.307	S	S	.	.	S	Bend	trans	-102.4	-90.5	177.8	-58.8	99.8	0	0	0	111.4	Q239 E265 L266	Q239-H257 PolarHBondContact OE1-ND1 3.16Å; H257-E265 WeakPolarHBondContact CB-O 3.3Å; H257-L266 VanDerWaalsContact CE1-CD1 3.49Å; H257-L266 WeakPolarHBondContact CE1-CD1 3.34Å; H257-L266 WeakPolarHBondContact ND1-CD1 3.4Å
258	F	92.6	Very high	92.8	Very high	40 Å²	40	52.4 Å²	52.4	18%	0.175	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	139.4	-173.7	-57.4	-79.9	0	0	0	113.4	C264 E265 L266 T290 A293	F258-C264 WeakPolarHBondContact O-CA 3.27Å; F258-E265 PolarHBondContact N-O 2.8Å; F258-E265 PolarHBondContact O-N 2.75Å; F258-L266 WeakPolarHBondContact CD2-O 3.36Å; F258-L266 WeakPolarHBondContact CE2-O 3.24Å; F258-T290 HydrophobicContact CD1-CG2 4.09Å; F258-T290 HydrophobicContact CE1-CG2 3.6Å; F258-T290 HydrophobicContact CE2-CG2 4.3Å; F258-T290 HydrophobicContact CZ-CG2 3.72Å; F258-A293 CarbonylContact C-O 3.31Å; F258-A293 WeakPolarHBondContact CA-O 3.45Å
259	N	92.7	Very high	92.6	Very high	53 Å²	53	47.7 Å²	47.7	28%	0.283	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	106.4	167.1	-175.1	-13.7	0	0	0	110.1	C255 G262 A293 S294 C295	C255-N259 HydrophobicContact CB-CB 4.38Å; N259-G262 WeakPolarHBondContact OD1-CA 3.48Å; N259-G262 PolarHBondContact OD1-N 2.97Å; N259-A293 PolarHBondContact N-O 3.24Å; N259-S294 WeakPolarHBondContact O-CA 3.3Å; N259-C295 PolarHBondContact O-N 3.47Å
260	H	92.5	Very high	92.4	Very high	32 Å²	32	47.3 Å²	47.3	15%	0.148	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	92.3	171	-176.1	-156.4	0	0	0	109.3	G262 I263 E265 P269 C295	H260-G262 PolarHBondContact O-N 2.81Å; H260-G262 VanDerWaalsContact O-N 3.08Å; H260-I263 PolarHBondContact N-O 2.67Å; H260-I263 WeakPolarHBondContact O-CB 3.39Å; H260-I263 PolarHBondContact O-N 3.24Å; H260-E265 HydrophobicContact CB-CG 4.47Å; H260-E265 IonicContact CE1-OE1 3.38Å; H260-E265 IonicContact CG-OE1 2.78Å; H260-E265 IonicContact CG-OE2 3.55Å; H260-E265 VanDerWaalsContact ND1-CD 3.32Å; H260-E265 IonicContact ND1-OE1 2.73Å; H260-E265 PolarHBondContact ND1-OE1 3.41Å; H260-E265 IonicContact ND1-OE2 3.24Å; H260-E265 PolarHBondContact ND1-OE2 2.83Å; H260-E265 VanDerWaalsContact ND1-OE2 3.12Å; H260-P269 VanDerWaalsContact CE1-CG 3.42Å; H260-P269 WeakPolarHBondContact CE1-CG 3.49Å; H260-C295 HydrophobicContact CB-CB 4.09Å
261	S	89.3	Confident	92.1	Very high	109 Å²	109	46.6 Å²	46.6	76%	0.762	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.5	31.7	173.2	-53.8	0	0	0	0	115.6
262	G	88	Confident	91.5	Very high	42 Å²	42	49 Å²	49	43%	0.433	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	100	0.6	-176.4	0	0	0	0	0	114.9	N259 H260	N259-G262 WeakPolarHBondContact OD1-CA 3.48Å; N259-G262 PolarHBondContact OD1-N 2.97Å; H260-G262 PolarHBondContact O-N 2.81Å; H260-G262 VanDerWaalsContact O-N 3.08Å
263	I	93.3	Very high	90.8	Very high	62 Å²	62	50.8 Å²	50.8	32%	0.318	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	128.7	175	-78.5	165.9	0	0	0	109	H249 H260 E265	H249-I263 VanDerWaalsContact ND1-CG2 3.25Å; H249-I263 WeakPolarHBondContact ND1-CG2 3.41Å; H260-I263 PolarHBondContact N-O 2.67Å; H260-I263 WeakPolarHBondContact O-CB 3.39Å; H260-I263 PolarHBondContact O-N 3.24Å; I263-E265 HydrophobicContact CG2-CG 3.84Å; I263-E265 WeakPolarHBondContact CG2-OE1 3.44Å
264	C	94.7	Very high	89.9	Confident	7 Å²	7	52.7 Å²	52.7	5%	0.047	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	114.1	177.9	-60.7	0	0	0	0	112.2	Q239 H249 C252 C255 F258	Q239-C264 HydrophobicContact CB-CB 3.86Å; Q239-C264 WeakPolarHBondContact CB-O 3.23Å; H249-C264 PolarHBondContact O-N 3.39Å; C252-C264 VanDerWaalsContact CB-SG 3.51Å; C255-C264 WeakPolarHBondContact CA-SG 3.45Å; C255-C264 HydrophobicContact CB-CB 3.59Å; C255-C264 WeakPolarHBondContact CB-SG 3.18Å; C255-C264 WeakPolarHBondContact SG-CA 3.44Å; C255-C264 WeakPolarHBondContact SG-CB 3.48Å; C255-C264 CovalentContact SG-SG 2.03Å; C255-C264 PolarHBondContact SG-SG 3.16Å; F258-C264 WeakPolarHBondContact O-CA 3.27Å
265	E	91.2	Very high	89.2	Confident	52 Å²	52	53.9 Å²	53.9	24%	0.243	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	152.8	-177.5	-75.3	167.2	-157.9	0	0	111.5	H257 F258 H260 I263	H257-E265 WeakPolarHBondContact CB-O 3.3Å; F258-E265 PolarHBondContact N-O 2.8Å; F258-E265 PolarHBondContact O-N 2.75Å; H260-E265 HydrophobicContact CB-CG 4.47Å; H260-E265 IonicContact CE1-OE1 3.38Å; H260-E265 IonicContact CG-OE1 2.78Å; H260-E265 IonicContact CG-OE2 3.55Å; H260-E265 VanDerWaalsContact ND1-CD 3.32Å; H260-E265 IonicContact ND1-OE1 2.73Å; H260-E265 PolarHBondContact ND1-OE1 3.41Å; H260-E265 IonicContact ND1-OE2 3.24Å; H260-E265 PolarHBondContact ND1-OE2 2.83Å; H260-E265 VanDerWaalsContact ND1-OE2 3.12Å; I263-E265 HydrophobicContact CG2-CG 3.84Å; I263-E265 WeakPolarHBondContact CG2-OE1 3.44Å
266	L	91	Very high	88.5	Confident	80 Å²	80	57.5 Å²	57.5	42%	0.419	33%	0.326	S	S	.	.	S	Bend	trans	-71.7	-33.1	176	178.1	60.7	0	0	0	112.2	H257 F258	H257-L266 VanDerWaalsContact CE1-CD1 3.49Å; H257-L266 WeakPolarHBondContact CE1-CD1 3.34Å; H257-L266 WeakPolarHBondContact ND1-CD1 3.4Å; F258-L266 WeakPolarHBondContact CD2-O 3.36Å; F258-L266 WeakPolarHBondContact CE2-O 3.24Å
267	H	90.4	Very high	87.6	Confident	124 Å²	124	62.7 Å²	62.7	57%	0.574	35%	0.354	S	S	*	.	S	Bend	trans	-141.1	146.6	179	-57.3	-37.6	0	0	0	108.7
268	C	89.9	Confident	87	Confident	16 Å²	16	62.7 Å²	62.7	11%	0.108	36%	0.359	C	S	.	.	P	Polyproline II helix	trans	-70.2	154.1	169.1	-63.2	0	0	0	0	111.4	A270 R288 T290 C295	C268-A270 PolarHBondContact O-N 3.01Å; C268-R288 HydrophobicContact CB-CB 4.32Å; C268-T290 HydrophobicContact CB-CG2 3.95Å; C268-T290 VanDerWaalsContact SG-CG2 3.56Å; C268-C295 WeakPolarHBondContact CA-SG 3.36Å; C268-C295 HydrophobicContact CB-CB 3.78Å; C268-C295 WeakPolarHBondContact CB-SG 3.24Å; C268-C295 WeakPolarHBondContact SG-CA 3.44Å; C268-C295 WeakPolarHBondContact SG-CB 3.44Å; C268-C295 CovalentContact SG-SG 2.03Å; C268-C295 PolarHBondContact SG-SG 3.24Å
269	P	90	Very high	86.1	Confident	29 Å²	29	66.2 Å²	66.2	19%	0.188	37%	0.374	C	S	.	.	P	Polyproline II helix	trans	-55.1	124.7	174.6	-26.6	33.8	0	0	0	112.4	H260 E286 G287 R288	H260-P269 VanDerWaalsContact CE1-CG 3.42Å; H260-P269 WeakPolarHBondContact CE1-CG 3.49Å; P269-E286 VanDerWaalsContact CB-O 3.23Å; P269-E286 WeakPolarHBondContact CB-O 3.38Å; P269-G287 WeakPolarHBondContact O-CA 3.47Å; P269-R288 HydrophobicContact CB-CG 4.49Å; P269-R288 HydrophobicContact CG-CG 4.2Å; P269-R288 PolarHBondContact O-N 3.26Å
270	A	88.4	Confident	85.3	Confident	62 Å²	62	69.6 Å²	69.6	51%	0.512	39%	0.388	S	S	.	.	P	Polyproline II helix	trans	-61.3	145.2	-177.2	0	0	0	0	0	112.5	C268 V272 N284 G287	C268-A270 PolarHBondContact O-N 3.01Å; A270-V272 PolarHBondContact O-N 3.32Å; A270-N284 VanDerWaalsContact O-CB 3.3Å; A270-N284 WeakPolarHBondContact O-CB 3.5Å; A270-N284 PolarHBondContact O-ND2 2.95Å; A270-G287 WeakPolarHBondContact O-CA 3.43Å
271	L	87.2	Confident	84.5	Confident	38 Å²	38	72.2 Å²	72.2	20%	0.199	41%	0.41	C	S	.	.	S	Bend	trans	-66.8	-19.2	179.2	-60.7	-174.4	0	0	0	114	N284 Y289	L271-N284 PolarHBondContact O-N 2.7Å; L271-Y289 HydrophobicContact CD1-CD1 4.16Å; L271-Y289 HydrophobicContact CD1-CE1 3.56Å; L271-Y289 HydrophobicContact CD2-CD2 4.2Å; L271-Y289 HydrophobicContact CD2-CE1 4.36Å; L271-Y289 HydrophobicContact CD2-CE2 3.99Å; L271-Y289 HydrophobicContact CD2-CG 4.47Å
272	V	83.3	Confident	84	Confident	85 Å²	85	70.8 Å²	70.8	52%	0.515	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	145.6	175.3	-67.3	0	0	0	0	110.2	A270 M282	A270-V272 PolarHBondContact O-N 3.32Å; V272-M282 CarbonylContact C-O 3.6Å; V272-M282 VanDerWaalsContact CA-O 3.28Å; V272-M282 WeakPolarHBondContact CA-O 3.27Å
273	T	82.8	Confident	83.8	Confident	63 Å²	63	74.1 Å²	74.1	39%	0.387	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	148.4	173.5	-173.7	0	0	0	0	109.5	M282 N284	T273-M282 PolarHBondContact N-O 3.37Å; T273-M282 PolarHBondContact O-N 3.25Å; T273-N284 HydrophobicContact CG2-CB 4.19Å
274	Y	76.2	Confident	83.4	Confident	109 Å²	109	73.1 Å²	73.1	43%	0.427	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	121	-179.2	-171.1	-101.5	0	0	0	110.4	T276 F279 V1191	Y274-T276 PolarHBondContact O-N 3.31Å; Y274-F279 VanDerWaalsContact CE2-O 3.23Å; Y274-F279 WeakPolarHBondContact CE2-O 3.22Å; Y274-F279 VanDerWaalsContact OH-CA 3.25Å; Y274-F279 WeakPolarHBondContact OH-CA 3.31Å; Y274-F279 VanDerWaalsContact OH-CB 3.31Å; Y274-F279 WeakPolarHBondContact OH-CB 3.48Å; Y274-F279 WeakPolarHBondContact OH-CD1 3.42Å; Y274-F279 PolarHBondContact OH-O 3.43Å; Y274-F279 VanDerWaalsContact OH-O 3.11Å; Y274-V1191 HydrophobicContact CD1-CG2 4Å; Y274-V1191 HydrophobicContact CE1-CG2 3.63Å
275	N	78.8	Confident	83	Confident	30 Å²	30	78.1 Å²	78.1	16%	0.16	43%	0.434	C	S	.	.			trans	-82.1	115.1	175.5	-169.5	-11.8	0	0	0	110	D277 T278 F279 E280 M282	N275-D277 PolarHBondContact O-N 3.4Å; N275-D277 WeakPolarHBondContact OD1-CB 3.45Å; N275-D277 PolarHBondContact OD1-N 2.77Å; N275-T278 PolarHBondContact ND2-OG1 3.41Å; N275-F279 VanDerWaalsContact O-CA 3.28Å; N275-F279 WeakPolarHBondContact O-CA 3.31Å; N275-F279 PolarHBondContact O-N 2.76Å; N275-E280 PolarHBondContact N-O 3.41Å; N275-M282 HydrophobicContact CB-CE 3.86Å; N275-M282 HydrophobicContact CB-CG 4.05Å; N275-M282 HydrophobicContact CB-SD 3.93Å; N275-M282 PolarHBondContact ND2-SD 2.85Å; N275-M282 VanDerWaalsContact ND2-SD 3.35Å
276	T	79.4	Confident	82.9	Confident	81 Å²	81	81.2 Å²	81.2	50%	0.497	45%	0.449	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-23.6	175.8	46.7	0	0	0	0	113.6	Y274	Y274-T276 PolarHBondContact O-N 3.31Å
277	D	75.3	Confident	82.7	Confident	135 Å²	135	77.8 Å²	77.8	72%	0.722	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.6	-28.7	-169	-57	5.2	0	0	0	111.7	N275	N275-D277 PolarHBondContact O-N 3.4Å; N275-D277 WeakPolarHBondContact OD1-CB 3.45Å; N275-D277 PolarHBondContact OD1-N 2.77Å
278	T	81.1	Confident	82.8	Confident	68 Å²	68	73.8 Å²	73.8	42%	0.417	41%	0.413	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107	-11.1	175	70.6	0	0	0	0	114	N275 E280	N275-T278 PolarHBondContact ND2-OG1 3.41Å; T278-E280 PolarHBondContact O-N 3.28Å; T278-E280 PolarHBondContact OG1-OE2 2.88Å
279	F	73.4	Confident	82.9	Confident	114 Å²	114	75.3 Å²	75.3	50%	0.5	42%	0.416	S	S	.	.			trans	63.3	17.9	-174.5	-58.1	-92	0	0	0	114.6	Y274 N275	Y274-F279 VanDerWaalsContact CE2-O 3.23Å; Y274-F279 WeakPolarHBondContact CE2-O 3.22Å; Y274-F279 VanDerWaalsContact OH-CA 3.25Å; Y274-F279 WeakPolarHBondContact OH-CA 3.31Å; Y274-F279 VanDerWaalsContact OH-CB 3.31Å; Y274-F279 WeakPolarHBondContact OH-CB 3.48Å; Y274-F279 WeakPolarHBondContact OH-CD1 3.42Å; Y274-F279 PolarHBondContact OH-O 3.43Å; Y274-F279 VanDerWaalsContact OH-O 3.11Å; N275-F279 VanDerWaalsContact O-CA 3.28Å; N275-F279 WeakPolarHBondContact O-CA 3.31Å; N275-F279 PolarHBondContact O-N 2.76Å
280	E	74.6	Confident	83	Confident	124 Å²	124	75.6 Å²	75.6	58%	0.579	42%	0.418	S	S	*	.	S	Bend	trans	-108.6	154.9	-177.5	-64	169.1	139.8	0	0	112.8	N275 T278	N275-E280 PolarHBondContact N-O 3.41Å; T278-E280 PolarHBondContact O-N 3.28Å; T278-E280 PolarHBondContact OG1-OE2 2.88Å
281	S	77.2	Confident	83.1	Confident	87 Å²	87	73.3 Å²	73.3	61%	0.608	40%	0.396	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.7	114.6	169.3	-61.3	0	0	0	0	110.4
282	M	77.2	Confident	83	Confident	78 Å²	78	73.3 Å²	73.3	38%	0.384	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	149.4	176.4	-57.1	-166.3	-49.9	0	0	111	V272 T273 N275 N284	V272-M282 CarbonylContact C-O 3.6Å; V272-M282 VanDerWaalsContact CA-O 3.28Å; V272-M282 WeakPolarHBondContact CA-O 3.27Å; T273-M282 PolarHBondContact N-O 3.37Å; T273-M282 PolarHBondContact O-N 3.25Å; N275-M282 HydrophobicContact CB-CE 3.86Å; N275-M282 HydrophobicContact CB-CG 4.05Å; N275-M282 HydrophobicContact CB-SD 3.93Å; N275-M282 PolarHBondContact ND2-SD 2.85Å; N275-M282 VanDerWaalsContact ND2-SD 3.35Å; M282-N284 PolarHBondContact O-N 3.48Å
283	P	83.8	Confident	83.3	Confident	112 Å²	112	70 Å²	70	73%	0.727	39%	0.386	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-57.2	131.9	168.1	-22.9	34	0	0	0	111.1	P285	P283-P285 WeakPolarHBondContact O-CD 3.31Å
284	N	86.5	Confident	83.6	Confident	41 Å²	41	68.2 Å²	68.2	22%	0.219	38%	0.377	C	S	.	.	P	Polyproline II helix	trans	-90.2	116.6	178.9	179.3	13.3	0	0	0	110.3	A270 L271 T273 M282 E286 G287	A270-N284 VanDerWaalsContact O-CB 3.3Å; A270-N284 WeakPolarHBondContact O-CB 3.5Å; A270-N284 PolarHBondContact O-ND2 2.95Å; L271-N284 PolarHBondContact O-N 2.7Å; T273-N284 HydrophobicContact CG2-CB 4.19Å; M282-N284 PolarHBondContact O-N 3.48Å; N284-E286 PolarHBondContact O-N 2.02Å; N284-E286 PolarHBondContact OD1-N 3.31Å; N284-G287 PolarHBondContact ND2-N 2.82Å; N284-G287 PolarHBondContact O-N 2.95Å
285	P	86	Confident	84.4	Confident	113 Å²	113	63.6 Å²	63.6	73%	0.734	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-28.4	175.8	-22.7	34.7	0	0	0	113.5	P283 G287 R288	P283-P285 WeakPolarHBondContact O-CD 3.31Å; P285-G287 VanDerWaalsContact C-N 3.31Å; P285-R288 PolarHBondContact O-NH1 3.26Å
286	E	87.7	Confident	84.9	Confident	116 Å²	116	63.7 Å²	63.7	54%	0.542	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.2	4	176.2	-57.9	-53.7	155.8	0	0	113.4	P269 N284 R288	P269-E286 VanDerWaalsContact CB-O 3.23Å; P269-E286 WeakPolarHBondContact CB-O 3.38Å; N284-E286 PolarHBondContact O-N 2.02Å; N284-E286 PolarHBondContact OD1-N 3.31Å; E286-R288 PolarHBondContact O-NH1 2.86Å; E286-R288 IonicContact OE2-CZ 3.22Å; E286-R288 IonicContact OE2-NH1 2.74Å; E286-R288 IonicContact OE2-NH2 3.41Å; E286-R288 PolarHBondContact OE2-NH2 2.89Å
287	G	87.4	Confident	85.4	Confident	8 Å²	8	64.9 Å²	64.9	8%	0.082	37%	0.369	C	S	.	.			trans	-60.9	144.6	175.8	0	0	0	0	0	112.6	P269 A270 N284 P285	P269-G287 WeakPolarHBondContact O-CA 3.47Å; A270-G287 WeakPolarHBondContact O-CA 3.43Å; N284-G287 PolarHBondContact ND2-N 2.82Å; N284-G287 PolarHBondContact O-N 2.95Å; P285-G287 VanDerWaalsContact C-N 3.31Å
288	R	92.5	Very high	86.1	Confident	41 Å²	41	61.5 Å²	61.5	16%	0.155	36%	0.36	C	S	.	.			trans	-137.4	149.8	179.8	-53.3	-64.5	174.8	-108.3	-3.3	110.4	C268 P269 P285 E286 C295 V296	C268-R288 HydrophobicContact CB-CB 4.32Å; P269-R288 HydrophobicContact CB-CG 4.49Å; P269-R288 HydrophobicContact CG-CG 4.2Å; P269-R288 PolarHBondContact O-N 3.26Å; P285-R288 PolarHBondContact O-NH1 3.26Å; E286-R288 PolarHBondContact O-NH1 2.86Å; E286-R288 IonicContact OE2-CZ 3.22Å; E286-R288 IonicContact OE2-NH1 2.74Å; E286-R288 IonicContact OE2-NH2 3.41Å; E286-R288 PolarHBondContact OE2-NH2 2.89Å; R288-C295 HydrophobicContact CB-CB 3.87Å; R288-C295 HydrophobicContact CG-CB 4.25Å; R288-V296 CarbonylContact C-O 3.52Å; R288-V296 WeakPolarHBondContact CA-O 3.27Å; R288-V296 WeakPolarHBondContact CB-O 3.43Å
289	Y	92.3	Very high	86.5	Confident	47 Å²	47	59.2 Å²	59.2	18%	0.184	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	143.7	170.7	-60.1	-98.5	0	0	0	110.5	L271 C295 V296 G309 C311	L271-Y289 HydrophobicContact CD1-CD1 4.16Å; L271-Y289 HydrophobicContact CD1-CE1 3.56Å; L271-Y289 HydrophobicContact CD2-CD2 4.2Å; L271-Y289 HydrophobicContact CD2-CE1 4.36Å; L271-Y289 HydrophobicContact CD2-CE2 3.99Å; L271-Y289 HydrophobicContact CD2-CG 4.47Å; Y289-C295 WeakPolarHBondContact O-CA 3.5Å; Y289-V296 PolarHBondContact N-O 2.85Å; Y289-V296 PolarHBondContact O-N 3.34Å; Y289-G309 CarbonylContact C-O 3.53Å; Y289-G309 WeakPolarHBondContact CA-O 3.48Å; Y289-C311 VanDerWaalsContact CB-SG 3.52Å
290	T	92.3	Very high	87.1	Confident	36 Å²	36	56 Å²	56	22%	0.221	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	125.7	169	49.2	0	0	0	0	110.3	F258 C268 G309 S310 C311	F258-T290 HydrophobicContact CD1-CG2 4.09Å; F258-T290 HydrophobicContact CE1-CG2 3.6Å; F258-T290 HydrophobicContact CE2-CG2 4.3Å; F258-T290 HydrophobicContact CZ-CG2 3.72Å; C268-T290 HydrophobicContact CB-CG2 3.95Å; C268-T290 VanDerWaalsContact SG-CG2 3.56Å; T290-G309 PolarHBondContact N-O 3.38Å; T290-G309 PolarHBondContact OG1-O 3.11Å; T290-S310 VanDerWaalsContact OG1-CA 3.28Å; T290-S310 WeakPolarHBondContact OG1-CA 3.44Å; T290-S310 VanDerWaalsContact OG1-CB 3.25Å; T290-S310 WeakPolarHBondContact OG1-CB 3.49Å; T290-C311 PolarHBondContact O-N 3.01Å
291	F	89.5	Confident	87.7	Confident	14 Å²	14	55.2 Å²	55.2	6%	0.061	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	95.6	178.4	177.4	-120.2	0	0	0	110.2	V25 Q57 A293 S294 V296 P300 Y303 C311	V25-F291 HydrophobicContact CG1-CE1 4.23Å; V25-F291 HydrophobicContact CG1-CZ 4.28Å; V25-F291 HydrophobicContact CG2-CE1 4.23Å; Q57-F291 VanDerWaalsContact CD-CZ 3.43Å; Q57-F291 VanDerWaalsContact OE1-CE2 3.22Å; F291-A293 PolarHBondContact O-N 3.06Å; F291-S294 PolarHBondContact N-O 2.74Å; F291-S294 PolarHBondContact O-N 3.23Å; F291-S294 VanDerWaalsContact O-N 3.1Å; F291-S294 PolarHBondContact O-OG 3.02Å; F291-V296 HydrophobicContact CB-CG1 4.11Å; F291-V296 HydrophobicContact CB-CG2 3.78Å; F291-V296 HydrophobicContact CD1-CG1 4.2Å; F291-P300 HydrophobicContact CD1-CG 4.05Å; F291-P300 HydrophobicContact CD2-CG 4.14Å; F291-P300 HydrophobicContact CE1-CG 3.73Å; F291-P300 HydrophobicContact CE2-CG 3.83Å; F291-P300 HydrophobicContact CG-CG 4.25Å; F291-P300 HydrophobicContact CZ-CB 4.43Å; F291-P300 HydrophobicContact CZ-CG 3.61Å; F291-Y303 HydrophobicContact CE2-CD1 4.23Å; F291-Y303 HydrophobicContact CE2-CD2 4.15Å; F291-Y303 AromaticContact CE2-CE1 3.91Å; F291-Y303 HydrophobicContact CE2-CE1 3.91Å; F291-Y303 AromaticContact CE2-CE2 3.83Å; F291-Y303 HydrophobicContact CE2-CE2 3.83Å; F291-Y303 HydrophobicContact CE2-CG 4.35Å; F291-Y303 AromaticContact CE2-CZ 3.71Å; F291-Y303 HydrophobicContact CZ-CE2 4.34Å; F291-C311 HydrophobicContact CB-CB 4.36Å; F291-C311 HydrophobicContact CD2-CB 3.97Å
292	G	85.9	Confident	88.1	Confident	38 Å²	38	51.7 Å²	51.7	39%	0.392	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.9	-100.6	-173.2	0	0	0	0	0	111.7
293	A	89.1	Confident	88.6	Confident	14 Å²	14	50.5 Å²	50.5	12%	0.116	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-122.2	23.6	178.2	0	0	0	0	0	112.9	F258 N259 F291	F258-A293 CarbonylContact C-O 3.31Å; F258-A293 WeakPolarHBondContact CA-O 3.45Å; N259-A293 PolarHBondContact N-O 3.24Å; F291-A293 PolarHBondContact O-N 3.06Å
294	S	90.2	Very high	89	Confident	26 Å²	26	45.2 Å²	45.2	18%	0.182	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	163.1	175.4	64.4	0	0	0	0	113.2	N259 F291	N259-S294 WeakPolarHBondContact O-CA 3.3Å; F291-S294 PolarHBondContact N-O 2.74Å; F291-S294 PolarHBondContact O-N 3.23Å; F291-S294 VanDerWaalsContact O-N 3.1Å; F291-S294 PolarHBondContact O-OG 3.02Å
295	C	92	Very high	89.3	Confident	12 Å²	12	43.6 Å²	43.6	8%	0.081	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	121.9	175.4	-53.4	0	0	0	0	110.1	N259 H260 C268 R288 Y289	N259-C295 PolarHBondContact O-N 3.47Å; H260-C295 HydrophobicContact CB-CB 4.09Å; C268-C295 WeakPolarHBondContact CA-SG 3.36Å; C268-C295 HydrophobicContact CB-CB 3.78Å; C268-C295 WeakPolarHBondContact CB-SG 3.24Å; C268-C295 WeakPolarHBondContact SG-CA 3.44Å; C268-C295 WeakPolarHBondContact SG-CB 3.44Å; C268-C295 CovalentContact SG-SG 2.03Å; C268-C295 PolarHBondContact SG-SG 3.24Å; R288-C295 HydrophobicContact CB-CB 3.87Å; R288-C295 HydrophobicContact CG-CB 4.25Å; Y289-C295 WeakPolarHBondContact O-CA 3.5Å
296	V	90.6	Very high	89.5	Confident	32 Å²	32	38.5 Å²	38.5	19%	0.194	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	148.9	-176.3	-62.8	0	0	0	0	111.7	R288 Y289 F291 A298	R288-V296 CarbonylContact C-O 3.52Å; R288-V296 WeakPolarHBondContact CA-O 3.27Å; R288-V296 WeakPolarHBondContact CB-O 3.43Å; Y289-V296 PolarHBondContact N-O 2.85Å; Y289-V296 PolarHBondContact O-N 3.34Å; F291-V296 HydrophobicContact CB-CG1 4.11Å; F291-V296 HydrophobicContact CB-CG2 3.78Å; F291-V296 HydrophobicContact CD1-CG1 4.2Å; V296-A298 VanDerWaalsContact CG2-O 3.23Å; V296-A298 WeakPolarHBondContact CG2-O 3.33Å
297	T	89.9	Confident	89.3	Confident	107 Å²	107	37.5 Å²	37.5	66%	0.656	22%	0.218	S	C	*	.	S	Bend	trans	-71.5	-30.9	179.5	45.8	0	0	0	0	113.1
298	A	89.7	Confident	89.2	Confident	63 Å²	63	40.5 Å²	40.5	52%	0.521	24%	0.235	S	C	.	.	S	Bend	trans	-142.5	151.4	171.7	0	0	0	0	0	109.1	V296	V296-A298 VanDerWaalsContact CG2-O 3.23Å; V296-A298 WeakPolarHBondContact CG2-O 3.33Å
299	C	89.6	Confident	88.9	Confident	20 Å²	20	38.9 Å²	38.9	14%	0.135	23%	0.231	C	C	.	.	P	Polyproline II helix	trans	-65.4	141.1	174.4	-67.3	0	0	0	0	111.2	S305 C311	C299-S305 PolarHBondContact SG-OG 2.95Å; C299-C311 WeakPolarHBondContact CA-SG 3.23Å; C299-C311 HydrophobicContact CB-CB 3.76Å; C299-C311 WeakPolarHBondContact CB-SG 3.24Å; C299-C311 WeakPolarHBondContact SG-CA 3.24Å; C299-C311 WeakPolarHBondContact SG-CB 3.31Å; C299-C311 CovalentContact SG-SG 2.04Å; C299-C311 PolarHBondContact SG-SG 3.41Å
300	P	85.8	Confident	88.9	Confident	47 Å²	47	38.2 Å²	38.2	31%	0.305	23%	0.233	S	C	.	.	P	Polyproline II helix	trans	-59.6	156.1	175.7	-27	38	0	0	0	112.3	F291 Y303	F291-P300 HydrophobicContact CD1-CG 4.05Å; F291-P300 HydrophobicContact CD2-CG 4.14Å; F291-P300 HydrophobicContact CE1-CG 3.73Å; F291-P300 HydrophobicContact CE2-CG 3.83Å; F291-P300 HydrophobicContact CG-CG 4.25Å; F291-P300 HydrophobicContact CZ-CB 4.43Å; F291-P300 HydrophobicContact CZ-CG 3.61Å; P300-Y303 HydrophobicContact CB-CD2 4.24Å; P300-Y303 WeakPolarHBondContact O-CB 3.47Å; P300-Y303 PolarHBondContact O-N 3.02Å; P300-Y303 VanDerWaalsContact O-N 3.12Å
301	Y	86.3	Confident	88.8	Confident	108 Å²	108	37.3 Å²	37.3	42%	0.424	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.7	143.8	176.1	174.1	-93.1	0	0	0	111.7	Y303 E460 G462 R487	Y301-Y303 PolarHBondContact O-N 2.99Å; Y301-E460 PolarHBondContact OH-OE1 3.4Å; Y301-E460 PolarHBondContact OH-OE2 3.4Å; Y301-G462 WeakPolarHBondContact CE1-O 3.49Å; Y301-R487 HydrophobicContact CD1-CB 3.89Å; Y301-R487 HydrophobicContact CD1-CG 4.48Å; Y301-R487 HydrophobicContact CE1-CB 3.42Å; Y301-R487 VanDerWaalsContact CE1-CB 3.42Å; Y301-R487 HydrophobicContact CE1-CG 3.59Å
302	N	86.5	Confident	88.8	Confident	13 Å²	13	38.6 Å²	38.6	7%	0.07	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.9	-6.4	-175.4	-158.5	45.7	0	0	0	116.6	R432 R434	N302-R432 PolarHBondContact ND2-O 2.7Å; N302-R432 WeakPolarHBondContact OD1-CB 3.35Å; N302-R432 WeakPolarHBondContact OD1-CD 3.15Å; N302-R432 PolarHBondContact OD1-O 2.58Å; N302-R434 WeakPolarHBondContact O-CD 3.26Å; N302-R434 PolarHBondContact O-NE 3.38Å
303	Y	88.2	Confident	88.7	Confident	53 Å²	53	39.6 Å²	39.6	21%	0.208	23%	0.233	C	C	.	.	S	Bend	trans	-87.4	156.1	164.4	-73.3	-100.9	0	0	0	111.3	Q57 F291 P300 Y301 C311 L313	Q57-Y303 PolarHBondContact OE1-OH 3.36Å; F291-Y303 HydrophobicContact CE2-CD1 4.23Å; F291-Y303 HydrophobicContact CE2-CD2 4.15Å; F291-Y303 AromaticContact CE2-CE1 3.91Å; F291-Y303 HydrophobicContact CE2-CE1 3.91Å; F291-Y303 AromaticContact CE2-CE2 3.83Å; F291-Y303 HydrophobicContact CE2-CE2 3.83Å; F291-Y303 HydrophobicContact CE2-CG 4.35Å; F291-Y303 AromaticContact CE2-CZ 3.71Å; F291-Y303 HydrophobicContact CZ-CE2 4.34Å; P300-Y303 HydrophobicContact CB-CD2 4.24Å; P300-Y303 WeakPolarHBondContact O-CB 3.47Å; P300-Y303 PolarHBondContact O-N 3.02Å; P300-Y303 VanDerWaalsContact O-N 3.12Å; Y301-Y303 PolarHBondContact O-N 2.99Å; Y303-C311 HydrophobicContact CD1-CB 4.37Å; Y303-L313 HydrophobicContact CD1-CD2 3.78Å; Y303-L313 HydrophobicContact CD1-CG 4.1Å; Y303-L313 HydrophobicContact CE1-CD1 4.35Å; Y303-L313 HydrophobicContact CE1-CD2 3.49Å; Y303-L313 VanDerWaalsContact CE1-CD2 3.49Å; Y303-L313 HydrophobicContact CE1-CG 3.71Å; Y303-L313 HydrophobicContact CE2-CD2 4.3Å; Y303-L313 HydrophobicContact CG-CD2 4.29Å
304	L	91.4	Very high	88.6	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	128.7	178.3	-55	171.6	0	0	0	110	C311 T312 E321 Q329	L304-C311 WeakPolarHBondContact O-CA 2.96Å; L304-T312 HydrophobicContact CB-CG2 3.88Å; L304-T312 WeakPolarHBondContact CB-O 3.13Å; L304-T312 HydrophobicContact CD1-CG2 4.35Å; L304-T312 PolarHBondContact N-O 2.75Å; L304-T312 PolarHBondContact O-N 3.46Å; L304-E321 HydrophobicContact CD1-CG 3.9Å; L304-E321 HydrophobicContact CD2-CG 3.98Å; L304-Q329 WeakPolarHBondContact CA-O 3.38Å; L304-Q329 HydrophobicContact CD2-CB 3.47Å; L304-Q329 VanDerWaalsContact CD2-CB 3.47Å
305	S	91.9	Very high	88.4	Confident	8 Å²	8	41.6 Å²	41.6	6%	0.056	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	129.3	170.9	-58.5	0	0	0	0	111.3	C299 Q329 R330 C331	C299-S305 PolarHBondContact SG-OG 2.95Å; S305-Q329 PolarHBondContact N-O 3.27Å; S305-Q329 VanDerWaalsContact N-O 3.07Å; S305-R330 CarbonylContact O-C 3.45Å; S305-R330 VanDerWaalsContact O-CA 3.32Å; S305-R330 WeakPolarHBondContact O-CA 3.34Å; S305-C331 PolarHBondContact O-N 2.8Å
306	T	90.6	Very high	88	Confident	6 Å²	6	42.8 Å²	42.8	4%	0.037	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	151.3	173.4	67.8	0	0	0	0	112.3	V308 G309 S310 T312 P316 C331	T306-V308 PolarHBondContact O-N 3Å; T306-V308 VanDerWaalsContact O-N 3.09Å; T306-V308 VanDerWaalsContact OG1-CG2 3.22Å; T306-V308 WeakPolarHBondContact OG1-CG2 3.03Å; T306-G309 PolarHBondContact O-N 3.04Å; T306-S310 PolarHBondContact N-O 3.25Å; T306-S310 PolarHBondContact OG1-N 3.08Å; T306-S310 PolarHBondContact OG1-O 2.98Å; T306-S310 PolarHBondContact OG1-OG 2.78Å; T306-T312 HydrophobicContact CG2-CG2 3.58Å; T306-P316 HydrophobicContact CG2-CG 4.26Å; T306-C331 HydrophobicContact CG2-CB 4.25Å
307	D	84.7	Confident	87.5	Confident	94 Å²	94	46.6 Å²	46.6	50%	0.503	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.5	-28.9	173.7	-58.7	-23.5	0	0	0	113.3	G309	D307-G309 VanDerWaalsContact C-N 3.26Å; D307-G309 PolarHBondContact O-N 3.49Å
308	V	83.9	Confident	87	Confident	72 Å²	72	46.6 Å²	46.6	44%	0.436	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.4	7	-177.9	-59	0	0	0	0	113.8	T306 L700	T306-V308 PolarHBondContact O-N 3Å; T306-V308 VanDerWaalsContact O-N 3.09Å; T306-V308 VanDerWaalsContact OG1-CG2 3.22Å; T306-V308 WeakPolarHBondContact OG1-CG2 3.03Å; V308-L700 HydrophobicContact CB-CD2 3.9Å; V308-L700 HydrophobicContact CB-CG 4.39Å; V308-L700 HydrophobicContact CG1-CD1 4.22Å; V308-L700 HydrophobicContact CG1-CD2 4.02Å; V308-L700 HydrophobicContact CG1-CG 3.99Å; V308-L700 HydrophobicContact CG2-CD2 3.84Å
309	G	87.1	Confident	86.8	Confident	7 Å²	7	44.5 Å²	44.5	7%	0.072	24%	0.242	C	C	.	.	S	Bend	trans	76.8	42	177.6	0	0	0	0	0	113.7	Y289 T290 T306 D307	Y289-G309 CarbonylContact C-O 3.53Å; Y289-G309 WeakPolarHBondContact CA-O 3.48Å; T290-G309 PolarHBondContact N-O 3.38Å; T290-G309 PolarHBondContact OG1-O 3.11Å; T306-G309 PolarHBondContact O-N 3.04Å; D307-G309 VanDerWaalsContact C-N 3.26Å; D307-G309 PolarHBondContact O-N 3.49Å
310	S	91.4	Very high	86.8	Confident	33 Å²	33	47.5 Å²	47.5	23%	0.231	25%	0.254	C	S	.	.	B	Isolated β-bridge	trans	-129.9	153.2	172.6	74.5	0	0	0	0	113.6	T290 T306	T290-S310 VanDerWaalsContact OG1-CA 3.28Å; T290-S310 WeakPolarHBondContact OG1-CA 3.44Å; T290-S310 VanDerWaalsContact OG1-CB 3.25Å; T290-S310 WeakPolarHBondContact OG1-CB 3.49Å; T306-S310 PolarHBondContact N-O 3.25Å; T306-S310 PolarHBondContact OG1-N 3.08Å; T306-S310 PolarHBondContact OG1-O 2.98Å; T306-S310 PolarHBondContact OG1-OG 2.78Å
311	C	91.2	Very high	87	Confident	17 Å²	17	46.9 Å²	46.9	12%	0.115	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	110.4	172.8	-55.4	0	0	0	0	109.6	Y289 T290 F291 C299 Y303 L304	Y289-C311 VanDerWaalsContact CB-SG 3.52Å; T290-C311 PolarHBondContact O-N 3.01Å; F291-C311 HydrophobicContact CB-CB 4.36Å; F291-C311 HydrophobicContact CD2-CB 3.97Å; C299-C311 WeakPolarHBondContact CA-SG 3.23Å; C299-C311 HydrophobicContact CB-CB 3.76Å; C299-C311 WeakPolarHBondContact CB-SG 3.24Å; C299-C311 WeakPolarHBondContact SG-CA 3.24Å; C299-C311 WeakPolarHBondContact SG-CB 3.31Å; C299-C311 CovalentContact SG-SG 2.04Å; C299-C311 PolarHBondContact SG-SG 3.41Å; Y303-C311 HydrophobicContact CD1-CB 4.37Å; L304-C311 WeakPolarHBondContact O-CA 2.96Å
312	T	88.2	Confident	87.1	Confident	41 Å²	41	43.1 Å²	43.1	25%	0.252	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	162.2	-175.5	-174.8	0	0	0	0	112.2	L304 T306 V314	L304-T312 HydrophobicContact CB-CG2 3.88Å; L304-T312 WeakPolarHBondContact CB-O 3.13Å; L304-T312 HydrophobicContact CD1-CG2 4.35Å; L304-T312 PolarHBondContact N-O 2.75Å; L304-T312 PolarHBondContact O-N 3.46Å; T306-T312 HydrophobicContact CG2-CG2 3.58Å; T312-V314 WeakPolarHBondContact CG2-O 3.39Å; T312-V314 PolarHBondContact OG1-N 3.02Å; T312-V314 PolarHBondContact OG1-O 3.45Å
313	L	85.4	Confident	87.2	Confident	59 Å²	59	46.7 Å²	46.7	31%	0.309	26%	0.258	S	S	.	.	S	Bend	trans	-92.6	-21.5	173.4	-66.5	168.9	0	0	0	112.2	Y303 R434	Y303-L313 HydrophobicContact CD1-CD2 3.78Å; Y303-L313 HydrophobicContact CD1-CG 4.1Å; Y303-L313 HydrophobicContact CE1-CD1 4.35Å; Y303-L313 HydrophobicContact CE1-CD2 3.49Å; Y303-L313 VanDerWaalsContact CE1-CD2 3.49Å; Y303-L313 HydrophobicContact CE1-CG 3.71Å; Y303-L313 HydrophobicContact CE2-CD2 4.3Å; Y303-L313 HydrophobicContact CG-CD2 4.29Å; L313-R434 HydrophobicContact CB-CB 4.25Å; L313-R434 HydrophobicContact CD2-CB 3.92Å; L313-R434 HydrophobicContact CD2-CG 4.07Å; L313-R434 WeakPolarHBondContact O-CD 3.17Å; L313-R434 PolarHBondContact O-NH1 3.47Å
314	V	86.1	Confident	86.7	Confident	61 Å²	61	45.7 Å²	45.7	37%	0.37	26%	0.26	S	S	.	.	S	Bend	trans	-137.6	138.1	178.5	-175.1	0	0	0	0	108.4	T312 M347	T312-V314 WeakPolarHBondContact CG2-O 3.39Å; T312-V314 PolarHBondContact OG1-N 3.02Å; T312-V314 PolarHBondContact OG1-O 3.45Å; V314-M347 HydrophobicContact CG1-CE 4.11Å; V314-M347 HydrophobicContact CG2-CE 4.28Å
315	C	87	Confident	86.1	Confident	21 Å²	21	55.9 Å²	55.9	14%	0.142	31%	0.308	C	S	.	.	P	Polyproline II helix	trans	-63.6	153.3	178.4	-70.3	0	0	0	0	113	N319 E321 C331	C315-N319 HydrophobicContact CB-CB 4.01Å; C315-E321 VanDerWaalsContact SG-CG 3.51Å; C315-C331 WeakPolarHBondContact CA-SG 3.28Å; C315-C331 HydrophobicContact CB-CB 3.77Å; C315-C331 WeakPolarHBondContact CB-SG 3.29Å; C315-C331 WeakPolarHBondContact SG-CA 3.49Å; C315-C331 WeakPolarHBondContact SG-CB 3.47Å; C315-C331 CovalentContact SG-SG 2.04Å; C315-C331 PolarHBondContact SG-SG 2.82Å
316	P	83.2	Confident	85.5	Confident	37 Å²	37	60.5 Å²	60.5	24%	0.24	33%	0.332	C	S	.	.	P	Polyproline II helix	trans	-55	156	167.5	-23.3	33.9	0	0	0	112.3	T306 H318 N319 P699	T306-P316 HydrophobicContact CG2-CG 4.26Å; P316-H318 PolarHBondContact O-N 2.86Å; P316-N319 PolarHBondContact O-N 2.73Å; P316-N319 VanDerWaalsContact O-N 3.08Å; P316-P699 HydrophobicContact CB-CG 4.48Å
317	L	78.9	Confident	85.1	Confident	111 Å²	111	62.5 Å²	62.5	58%	0.581	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	130.6	175.9	-173.9	69.3	0	0	0	110.5	N319	L317-N319 VanDerWaalsContact C-N 3.29Å; L317-N319 PolarHBondContact O-N 2.79Å
318	H	80.2	Confident	85.1	Confident	107 Å²	107	60.4 Å²	60.4	50%	0.495	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.4	16.3	-172.1	18.2	63.6	0	0	0	118.9	P316 C334 C338 E698	P316-H318 PolarHBondContact O-N 2.86Å; H318-C334 WeakPolarHBondContact O-CB 3.15Å; H318-C334 PolarHBondContact O-N 3.34Å; H318-C334 VanDerWaalsContact O-N 3.09Å; H318-C334 PolarHBondContact O-SG 2.9Å; H318-C338 VanDerWaalsContact C-SG 3.6Å; H318-C338 VanDerWaalsContact CA-SG 3.55Å; H318-C338 PolarHBondContact O-SG 3.41Å; H318-E698 VanDerWaalsContact CA-OE1 3.3Å; H318-E698 WeakPolarHBondContact CA-OE1 3.37Å; H318-E698 WeakPolarHBondContact CB-OE1 3.31Å; H318-E698 IonicContact CE1-OE1 2.73Å; H318-E698 IonicContact CG-OE1 3.71Å; H318-E698 VanDerWaalsContact CG-OE1 3.26Å; H318-E698 IonicContact ND1-OE1 3.63Å; H318-E698 PolarHBondContact ND1-OE1 3.43Å
319	N	86.1	Confident	85.3	Confident	19 Å²	19	57.5 Å²	57.5	10%	0.102	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	158.5	149.9	-69.8	65.8	0	0	0	111.3	C315 P316 L317 C331 E332 K333	C315-N319 HydrophobicContact CB-CB 4.01Å; P316-N319 PolarHBondContact O-N 2.73Å; P316-N319 VanDerWaalsContact O-N 3.08Å; L317-N319 VanDerWaalsContact C-N 3.29Å; L317-N319 PolarHBondContact O-N 2.79Å; N319-C331 HydrophobicContact CB-CB 4.14Å; N319-C331 PolarHBondContact ND2-O 2.99Å; N319-E332 CarbonylContact C-O 3.57Å; N319-E332 VanDerWaalsContact CA-O 3.23Å; N319-E332 WeakPolarHBondContact CA-O 3.22Å; N319-E332 WeakPolarHBondContact CB-O 3.26Å; N319-K333 PolarHBondContact ND2-N 3.46Å
320	Q	88.7	Confident	85.5	Confident	83 Å²	83	61.8 Å²	61.8	39%	0.388	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	145.8	172.6	53.4	169.8	32.9	0	0	111.4	V322 C331 E332	Q320-V322 HydrophobicContact CG-CG1 4.27Å; Q320-V322 PolarHBondContact O-N 2.87Å; Q320-C331 WeakPolarHBondContact O-CA 3.41Å; Q320-E332 WeakPolarHBondContact CG-O 3.41Å; Q320-E332 PolarHBondContact N-O 3.47Å; Q320-E332 PolarHBondContact O-N 3.21Å; Q320-E332 VanDerWaalsContact O-N 3.15Å
321	E	90.3	Very high	85.5	Confident	34 Å²	34	60.2 Å²	60.2	16%	0.159	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	113.7	168.9	-76.4	-175.1	-147.1	0	0	110.5	L304 C315 K369 F371 R434	L304-E321 HydrophobicContact CD1-CG 3.9Å; L304-E321 HydrophobicContact CD2-CG 3.98Å; C315-E321 VanDerWaalsContact SG-CG 3.51Å; E321-K369 IonicContact OE2-NZ 3.64Å; E321-K369 PolarHBondContact OE2-NZ 3.15Å; E321-F371 HydrophobicContact CB-CE1 4.41Å; E321-F371 HydrophobicContact CG-CE1 4.13Å; E321-F371 WeakPolarHBondContact OE1-CE1 3.21Å; E321-R434 VanDerWaalsContact CD-NH1 3.33Å; E321-R434 IonicContact OE1-CZ 2.79Å; E321-R434 IonicContact OE1-NH1 3.49Å; E321-R434 PolarHBondContact OE1-NH1 3.42Å; E321-R434 IonicContact OE1-NH2 3.85Å; E321-R434 IonicContact OE2-CZ 3.83Å; E321-R434 IonicContact OE2-NH1 2.63Å; E321-R434 PolarHBondContact OE2-NH1 3.13Å; E321-R434 IonicContact OE2-NH2 2.62Å; E321-R434 PolarHBondContact OE2-NH2 3.03Å
322	V	88.4	Confident	85.4	Confident	30 Å²	30	63.9 Å²	63.9	18%	0.182	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	155.4	167	-59.6	0	0	0	0	110.1	Q320 Q329 R330 E332	Q320-V322 HydrophobicContact CG-CG1 4.27Å; Q320-V322 PolarHBondContact O-N 2.87Å; V322-Q329 CarbonylContact O-C 3.58Å; V322-Q329 WeakPolarHBondContact O-CA 3.42Å; V322-R330 HydrophobicContact CG2-CB 3.96Å; V322-R330 WeakPolarHBondContact CG2-O 3.43Å; V322-R330 PolarHBondContact N-O 2.9Å; V322-R330 PolarHBondContact O-N 3.31Å; V322-E332 HydrophobicContact CG1-CB 4.33Å; V322-E332 HydrophobicContact CG1-CG 4.4Å; V322-E332 HydrophobicContact CG2-CB 4.37Å; V322-E332 HydrophobicContact CG2-CG 3.73Å
323	T	87.1	Confident	85.3	Confident	87 Å²	87	65.6 Å²	65.6	53%	0.534	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	123.8	171.6	-55.6	0	0	0	0	108	Q329	T323-Q329 HydrophobicContact CG2-CG 4.3Å; T323-Q329 PolarHBondContact OG1-NE2 3.42Å
324	A	79.7	Confident	85.3	Confident	32 Å²	32	63.4 Å²	63.4	26%	0.264	34%	0.338	S	S	.	.			trans	-78.1	165.7	178.2	0	0	0	0	0	111.6	D326 G327 T328	A324-D326 WeakPolarHBondContact CB-OD1 3.04Å; A324-D326 PolarHBondContact O-N 3.14Å; A324-D326 VanDerWaalsContact O-N 3.16Å; A324-G327 PolarHBondContact O-N 3.22Å; A324-T328 PolarHBondContact N-O 3.29Å
325	E	78.8	Confident	85.2	Confident	214 Å²	214	64.6 Å²	64.6	100%	1	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-22.3	178.9	-61.1	-176.9	169.1	0	0	113.3	G327	E325-G327 VanDerWaalsContact C-N 3.28Å
326	D	78.8	Confident	85.1	Confident	106 Å²	106	69.2 Å²	69.2	57%	0.567	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.3	-2.8	173.6	63	25.2	0	0	0	113.9	A324 T328 R330	A324-D326 WeakPolarHBondContact CB-OD1 3.04Å; A324-D326 PolarHBondContact O-N 3.14Å; A324-D326 VanDerWaalsContact O-N 3.16Å; D326-T328 VanDerWaalsContact C-N 3.34Å; D326-T328 VanDerWaalsContact CG-OG1 3.26Å; D326-T328 WeakPolarHBondContact OD1-CA 3.27Å; D326-T328 WeakPolarHBondContact OD1-CB 3.46Å; D326-T328 PolarHBondContact OD1-N 3.1Å; D326-T328 PolarHBondContact OD1-OG1 2.85Å; D326-R330 IonicContact OD2-NH2 3.75Å; D326-R330 PolarHBondContact OD2-NH2 2.79Å; D326-R330 VanDerWaalsContact OD2-NH2 3.17Å
327	G	81.5	Confident	85	Confident	47 Å²	47	71.7 Å²	71.7	49%	0.485	38%	0.383	S	S	.	.	S	Bend	trans	85	-4.7	-176.5	0	0	0	0	0	115.1	A324 E325 Q329	A324-G327 PolarHBondContact O-N 3.22Å; E325-G327 VanDerWaalsContact C-N 3.28Å; G327-Q329 PolarHBondContact O-N 3.07Å
328	T	84.5	Confident	85	Confident	51 Å²	51	68.7 Å²	68.7	31%	0.313	37%	0.371	S	S	.	.			trans	-67.5	129.6	176.7	-49.2	0	0	0	0	110.3	A324 D326 R330	A324-T328 PolarHBondContact N-O 3.29Å; D326-T328 VanDerWaalsContact C-N 3.34Å; D326-T328 VanDerWaalsContact CG-OG1 3.26Å; D326-T328 WeakPolarHBondContact OD1-CA 3.27Å; D326-T328 WeakPolarHBondContact OD1-CB 3.46Å; D326-T328 PolarHBondContact OD1-N 3.1Å; D326-T328 PolarHBondContact OD1-OG1 2.85Å; T328-R330 HydrophobicContact CG2-CG 4.05Å
329	Q	88.8	Confident	85	Confident	11 Å²	11	67.5 Å²	67.5	5%	0.051	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	133.4	173.2	-58	-162.4	-57.3	0	0	110.4	L304 S305 V322 T323 G327	L304-Q329 WeakPolarHBondContact CA-O 3.38Å; L304-Q329 HydrophobicContact CD2-CB 3.47Å; L304-Q329 VanDerWaalsContact CD2-CB 3.47Å; S305-Q329 PolarHBondContact N-O 3.27Å; S305-Q329 VanDerWaalsContact N-O 3.07Å; V322-Q329 CarbonylContact O-C 3.58Å; V322-Q329 WeakPolarHBondContact O-CA 3.42Å; T323-Q329 HydrophobicContact CG2-CG 4.3Å; T323-Q329 PolarHBondContact OG1-NE2 3.42Å; G327-Q329 PolarHBondContact O-N 3.07Å
330	R	91.2	Very high	84.5	Confident	96 Å²	96	77.3 Å²	77.3	36%	0.362	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	157.3	-174.4	-50.1	-172.2	-171.9	169.1	6.6	110.9	S305 V322 D326 T328	S305-R330 CarbonylContact O-C 3.45Å; S305-R330 VanDerWaalsContact O-CA 3.32Å; S305-R330 WeakPolarHBondContact O-CA 3.34Å; V322-R330 HydrophobicContact CG2-CB 3.96Å; V322-R330 WeakPolarHBondContact CG2-O 3.43Å; V322-R330 PolarHBondContact N-O 2.9Å; V322-R330 PolarHBondContact O-N 3.31Å; D326-R330 IonicContact OD2-NH2 3.75Å; D326-R330 PolarHBondContact OD2-NH2 2.79Å; D326-R330 VanDerWaalsContact OD2-NH2 3.17Å; T328-R330 HydrophobicContact CG2-CG 4.05Å
331	C	91.4	Very high	84.4	Confident	0 Å²	0	75.9 Å²	75.9	0%	0	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	91.1	179.2	-67.2	0	0	0	0	110.7	S305 T306 C315 N319 Q320	S305-C331 PolarHBondContact O-N 2.8Å; T306-C331 HydrophobicContact CG2-CB 4.25Å; C315-C331 WeakPolarHBondContact CA-SG 3.28Å; C315-C331 HydrophobicContact CB-CB 3.77Å; C315-C331 WeakPolarHBondContact CB-SG 3.29Å; C315-C331 WeakPolarHBondContact SG-CA 3.49Å; C315-C331 WeakPolarHBondContact SG-CB 3.47Å; C315-C331 CovalentContact SG-SG 2.04Å; C315-C331 PolarHBondContact SG-SG 2.82Å; N319-C331 HydrophobicContact CB-CB 4.14Å; N319-C331 PolarHBondContact ND2-O 2.99Å; Q320-C331 WeakPolarHBondContact O-CA 3.41Å
332	E	88.4	Confident	84.4	Confident	95 Å²	95	75.8 Å²	75.8	44%	0.444	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	146.6	175.6	-72.2	179	-179.3	0	0	111	N319 Q320 V322	N319-E332 CarbonylContact C-O 3.57Å; N319-E332 VanDerWaalsContact CA-O 3.23Å; N319-E332 WeakPolarHBondContact CA-O 3.22Å; N319-E332 WeakPolarHBondContact CB-O 3.26Å; Q320-E332 WeakPolarHBondContact CG-O 3.41Å; Q320-E332 PolarHBondContact N-O 3.47Å; Q320-E332 PolarHBondContact O-N 3.21Å; Q320-E332 VanDerWaalsContact O-N 3.15Å; V322-E332 HydrophobicContact CG1-CB 4.33Å; V322-E332 HydrophobicContact CG1-CG 4.4Å; V322-E332 HydrophobicContact CG2-CB 4.37Å; V322-E332 HydrophobicContact CG2-CG 3.73Å
333	K	87.2	Confident	84.6	Confident	77 Å²	77	77.8 Å²	77.8	34%	0.335	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67	137.3	175.1	-63.5	-174.8	177.2	-170.3	0	111.4	N319 S335 E698	N319-K333 PolarHBondContact ND2-N 3.46Å; K333-S335 PolarHBondContact O-N 2.9Å; K333-S335 VanDerWaalsContact O-N 3.09Å; K333-E698 WeakPolarHBondContact CB-OE2 3.29Å; K333-E698 HydrophobicContact CD-CB 4.08Å; K333-E698 VanDerWaalsContact CD-OE2 3.29Å; K333-E698 WeakPolarHBondContact CD-OE2 3.23Å; K333-E698 VanDerWaalsContact CG-OE2 3.23Å; K333-E698 WeakPolarHBondContact CG-OE2 3.45Å
334	C	85.4	Confident	84.8	Confident	13 Å²	13	73.6 Å²	73.6	9%	0.088	39%	0.394	C	S	.	.			trans	-70.6	108.7	179.6	-61.5	0	0	0	0	110.6	H318 K336 C338	H318-C334 WeakPolarHBondContact O-CB 3.15Å; H318-C334 PolarHBondContact O-N 3.34Å; H318-C334 VanDerWaalsContact O-N 3.09Å; H318-C334 PolarHBondContact O-SG 2.9Å; C334-K336 CarbonylContact C-O 3.46Å; C334-K336 WeakPolarHBondContact CB-O 3.47Å; C334-K336 PolarHBondContact O-N 2.74Å; C334-C338 HydrophobicContact CB-CB 4.01Å; C334-C338 WeakPolarHBondContact CB-SG 3.46Å; C334-C338 VanDerWaalsContact SG-CA 3.57Å; C334-C338 WeakPolarHBondContact SG-CB 3.36Å; C334-C338 CovalentContact SG-SG 2.04Å; C334-C338 PolarHBondContact SG-SG 2.88Å
335	S	84.4	Confident	85.4	Confident	86 Å²	86	72.4 Å²	72.4	60%	0.601	38%	0.383	S	S	*	.	S	Bend	trans	-65.9	14.2	177.4	59.2	0	0	0	0	116.2	K333	K333-S335 PolarHBondContact O-N 2.9Å; K333-S335 VanDerWaalsContact O-N 3.09Å
336	K	83.5	Confident	85.6	Confident	118 Å²	118	64.2 Å²	64.2	51%	0.513	36%	0.356	S	S	.	.	S	Bend	trans	-166.7	163.5	-175.1	-50.7	178.9	-168.6	65.8	0	104.7	C334 C338	C334-K336 CarbonylContact C-O 3.46Å; C334-K336 WeakPolarHBondContact CB-O 3.47Å; C334-K336 PolarHBondContact O-N 2.74Å; K336-C338 PolarHBondContact O-N 3.36Å; K336-C338 VanDerWaalsContact O-N 3.12Å
337	P	81.7	Confident	85.9	Confident	88 Å²	88	60.7 Å²	60.7	57%	0.571	34%	0.336	S	S	*	.	S	Bend	trans	-49.3	125.2	165.4	-27	35.1	0	0	0	110.9	L691	P337-L691 HydrophobicContact CG-CD1 3.52Å; P337-L691 HydrophobicContact CG-CD2 4.04Å; P337-L691 HydrophobicContact CG-CG 4.44Å
338	C	77.9	Confident	86.1	Confident	49 Å²	49	64.1 Å²	64.1	33%	0.331	34%	0.339	S	S	.	.	P	Polyproline II helix	trans	-53.2	146.1	-174.6	-59.7	0	0	0	0	111.6	H318 C334 K336 R340	H318-C338 VanDerWaalsContact C-SG 3.6Å; H318-C338 VanDerWaalsContact CA-SG 3.55Å; H318-C338 PolarHBondContact O-SG 3.41Å; C334-C338 HydrophobicContact CB-CB 4.01Å; C334-C338 WeakPolarHBondContact CB-SG 3.46Å; C334-C338 VanDerWaalsContact SG-CA 3.57Å; C334-C338 WeakPolarHBondContact SG-CB 3.36Å; C334-C338 CovalentContact SG-SG 2.04Å; C334-C338 PolarHBondContact SG-SG 2.88Å; K336-C338 PolarHBondContact O-N 3.36Å; K336-C338 VanDerWaalsContact O-N 3.12Å; C338-R340 PolarHBondContact O-N 3.28Å
339	A	80.4	Confident	86.2	Confident	81 Å²	81	67.1 Å²	67.1	67%	0.669	35%	0.35	S	S	*	.	P	Polyproline II helix	trans	-58.5	138.5	169.8	0	0	0	0	0	109.6	V341	A339-V341 PolarHBondContact O-N 3.06Å
340	R	77	Confident	86.1	Confident	225 Å²	225	66.8 Å²	66.8	85%	0.849	35%	0.348	S	S	*	.	P	Polyproline II helix	trans	-61.6	122.5	172.2	-78.3	-172.7	169.9	-166.5	-5.6	108.6	C338	C338-R340 PolarHBondContact O-N 3.28Å
341	V	85.2	Confident	85.9	Confident	54 Å²	54	70.5 Å²	70.5	33%	0.327	36%	0.362	S	S	.	.	P	Polyproline II helix	trans	-94.6	157.5	173.7	-64.1	0	0	0	0	110.2	A339 Y343 F371	A339-V341 PolarHBondContact O-N 3.06Å; V341-Y343 HydrophobicContact CG2-CD1 4.3Å; V341-Y343 HydrophobicContact CG2-CD2 4.42Å; V341-Y343 HydrophobicContact CG2-CE1 3.72Å; V341-Y343 HydrophobicContact CG2-CE2 3.84Å; V341-Y343 VanDerWaalsContact CG2-CZ 3.46Å; V341-F371 HydrophobicContact CB-CD2 3.63Å; V341-F371 HydrophobicContact CB-CE2 3.73Å; V341-F371 HydrophobicContact CB-CG 4.29Å; V341-F371 HydrophobicContact CB-CZ 4.46Å; V341-F371 HydrophobicContact CG1-CD2 3.97Å; V341-F371 HydrophobicContact CG1-CE2 3.55Å; V341-F371 HydrophobicContact CG1-CZ 3.89Å; V341-F371 HydrophobicContact CG2-CD2 4.22Å; V341-F371 HydrophobicContact CG2-CG 4.4Å
342	C	91	Very high	85.4	Confident	32 Å²	32	78.1 Å²	78.1	22%	0.216	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	114.9	171.8	-54.1	0	0	0	0	109.1	C367 I370 F371	C342-C367 HydrophobicContact CB-CB 3.66Å; C342-C367 WeakPolarHBondContact CB-SG 3.37Å; C342-C367 WeakPolarHBondContact SG-CB 3.34Å; C342-C367 CovalentContact SG-SG 2.02Å; C342-C367 PolarHBondContact SG-SG 3.41Å; C342-I370 HydrophobicContact CB-CD1 3.65Å; C342-F371 PolarHBondContact O-N 3Å
343	Y	92.3	Very high	85.4	Confident	71 Å²	71	76.2 Å²	76.2	28%	0.278	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	144.6	175	-66.6	-69.5	0	0	0	110.8	V341 M347 E348 F364 F371	V341-Y343 HydrophobicContact CG2-CD1 4.3Å; V341-Y343 HydrophobicContact CG2-CD2 4.42Å; V341-Y343 HydrophobicContact CG2-CE1 3.72Å; V341-Y343 HydrophobicContact CG2-CE2 3.84Å; V341-Y343 VanDerWaalsContact CG2-CZ 3.46Å; Y343-M347 HydrophobicContact CD1-CB 3.95Å; Y343-M347 HydrophobicContact CG-CB 4.41Å; Y343-E348 HydrophobicContact CD1-CB 4.43Å; Y343-E348 HydrophobicContact CD1-CG 3.98Å; Y343-E348 HydrophobicContact CD2-CB 4.01Å; Y343-E348 HydrophobicContact CD2-CG 3.99Å; Y343-E348 HydrophobicContact CE1-CG 3.7Å; Y343-E348 HydrophobicContact CE2-CB 4.19Å; Y343-E348 HydrophobicContact CE2-CG 3.73Å; Y343-E348 HydrophobicContact CG-CB 4.14Å; Y343-E348 HydrophobicContact CG-CG 4.11Å; Y343-F364 WeakPolarHBondContact O-CE1 3.45Å; Y343-F371 CarbonylContact C-O 3.56Å; Y343-F371 WeakPolarHBondContact CA-O 3.07Å; Y343-F371 HydrophobicContact CD1-CB 4.12Å; Y343-F371 HydrophobicContact CE1-CB 4.48Å
344	G	92.4	Very high	85.7	Confident	0 Å²	0	80.7 Å²	80.7	0%	0	41%	0.407	C	S	.	.			trans	-96.9	-178.7	170.5	0	0	0	0	0	112	M347 I370 F371 S373	G344-M347 WeakPolarHBondContact O-CB 3.18Å; G344-M347 PolarHBondContact O-N 3.35Å; G344-I370 VanDerWaalsContact CA-CG2 3.47Å; G344-F371 PolarHBondContact N-O 2.99Å; G344-S373 CarbonylContact C-O 3.51Å; G344-S373 WeakPolarHBondContact CA-O 3.36Å
345	L	92.7	Very high	86.1	Confident	6 Å²	6	80.1 Å²	80.1	3%	0.031	40%	0.404	C	S	.	.	B	Isolated β-bridge	trans	-57.1	140.6	173.6	-53.6	178.9	0	0	0	110.7	L350 V353 V356 S373 A375	L345-L350 HydrophobicContact CD2-CD1 4.44Å; L345-V353 HydrophobicContact CD2-CB 4.24Å; L345-V353 HydrophobicContact CD2-CG1 3.96Å; L345-V356 HydrophobicContact CD1-CG2 4.36Å; L345-S373 WeakPolarHBondContact CB-O 3.45Å; L345-S373 PolarHBondContact N-O 3.19Å; L345-S373 PolarHBondContact O-N 3.19Å; L345-A375 HydrophobicContact CD1-CB 3.58Å; L345-A375 VanDerWaalsContact CD1-N 3.34Å
346	G	82.5	Confident	86.6	Confident	42 Å²	42	76 Å²	76	43%	0.433	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	84.6	1.2	-175.3	0	0	0	0	0	115.2	L350	G346-L350 PolarHBondContact N-O 3Å
347	M	85.5	Confident	87.2	Confident	33 Å²	33	71.3 Å²	71.3	16%	0.163	36%	0.356	C	S	.	.	S	Bend	trans	-124.6	141.5	-176.8	-60.8	-68.4	-70.4	0	0	112.5	V314 Y343 G344 H349 L350 R351 F371 I435	V314-M347 HydrophobicContact CG1-CE 4.11Å; V314-M347 HydrophobicContact CG2-CE 4.28Å; Y343-M347 HydrophobicContact CD1-CB 3.95Å; Y343-M347 HydrophobicContact CG-CB 4.41Å; G344-M347 WeakPolarHBondContact O-CB 3.18Å; G344-M347 PolarHBondContact O-N 3.35Å; M347-H349 PolarHBondContact O-N 3.29Å; M347-L350 CarbonylContact O-C 3.52Å; M347-L350 WeakPolarHBondContact O-CA 3.48Å; M347-L350 PolarHBondContact O-N 3.36Å; M347-R351 PolarHBondContact O-N 3.19Å; M347-F371 WeakPolarHBondContact CG-O 3.39Å; M347-I435 HydrophobicContact CG-CD1 4.47Å; M347-I435 HydrophobicContact SD-CD1 3.96Å
348	E	84.2	Confident	87.8	Confident	118 Å²	118	68.7 Å²	68.7	55%	0.551	34%	0.34	S	S	*	.	G	3₁₀ helix	trans	42.4	-113.9	178.2	-64.5	-62.1	164.6	0	0	114.2	Y343 L350 R351	Y343-E348 HydrophobicContact CD1-CB 4.43Å; Y343-E348 HydrophobicContact CD1-CG 3.98Å; Y343-E348 HydrophobicContact CD2-CB 4.01Å; Y343-E348 HydrophobicContact CD2-CG 3.99Å; Y343-E348 HydrophobicContact CE1-CG 3.7Å; Y343-E348 HydrophobicContact CE2-CB 4.19Å; Y343-E348 HydrophobicContact CE2-CG 3.73Å; Y343-E348 HydrophobicContact CG-CB 4.14Å; Y343-E348 HydrophobicContact CG-CG 4.11Å; E348-L350 VanDerWaalsContact C-N 3.31Å; E348-L350 PolarHBondContact O-N 3.43Å; E348-R351 WeakPolarHBondContact O-CB 3.35Å; E348-R351 PolarHBondContact O-N 2.88Å
349	H	86.2	Confident	88.5	Confident	114 Å²	114	69.8 Å²	69.8	53%	0.528	35%	0.352	S	S	.	.	G	3₁₀ helix	trans	-76.7	-15.2	-177.7	63.8	-71.2	0	0	0	113.7	M347 E363	M347-H349 PolarHBondContact O-N 3.29Å; H349-E363 IonicContact CD2-OE1 2.89Å; H349-E363 IonicContact CD2-OE2 2.86Å; H349-E363 PolarHBondContact CD2-OE2 2.86Å; H349-E363 IonicContact CE1-OE2 2.67Å; H349-E363 IonicContact NE2-OE1 2.69Å; H349-E363 IonicContact NE2-OE2 3.12Å; H349-E363 PolarHBondContact NE2-OE2 2.79Å
350	L	88.6	Confident	89.2	Confident	5 Å²	5	66.3 Å²	66.3	3%	0.026	32%	0.323	C	S	.	.	G	3₁₀ helix	trans	-97.7	13.4	172.7	-61.2	179	0	0	0	112.8	L345 G346 M347 E348 E352 V353 N360 F364	L345-L350 HydrophobicContact CD2-CD1 4.44Å; G346-L350 PolarHBondContact N-O 3Å; M347-L350 CarbonylContact O-C 3.52Å; M347-L350 WeakPolarHBondContact O-CA 3.48Å; M347-L350 PolarHBondContact O-N 3.36Å; E348-L350 VanDerWaalsContact C-N 3.31Å; E348-L350 PolarHBondContact O-N 3.43Å; L350-E352 PolarHBondContact O-N 2.85Å; L350-V353 HydrophobicContact CB-CB 4.4Å; L350-V353 HydrophobicContact CD2-CB 4.31Å; L350-V353 HydrophobicContact CD2-CG1 4.5Å; L350-V353 HydrophobicContact CD2-CG2 4.07Å; L350-V353 PolarHBondContact O-N 3.47Å; L350-V353 VanDerWaalsContact O-N 3.15Å; L350-N360 HydrophobicContact CD2-CB 4.23Å; L350-F364 HydrophobicContact CD1-CE1 4.2Å; L350-F364 HydrophobicContact CD1-CZ 3.91Å
351	R	85.5	Confident	90.1	Very high	173 Å²	173	55.6 Å²	55.6	65%	0.653	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	-44.9	-175.3	178.8	-176.2	165.7	140.6	5.9	114.4	M347 E348	M347-R351 PolarHBondContact O-N 3.19Å; E348-R351 WeakPolarHBondContact O-CB 3.35Å; E348-R351 PolarHBondContact O-N 2.88Å
352	E	81.8	Confident	90.4	Very high	161 Å²	161	58.6 Å²	58.6	75%	0.752	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.8	6.5	-178.7	-51	-58.4	143.7	0	0	112.4	L350	L350-E352 PolarHBondContact O-N 2.85Å
353	V	89.1	Confident	90.5	Very high	54 Å²	54	61.3 Å²	61.3	33%	0.327	30%	0.302	S	S	.	.			trans	-94.8	120.3	-174.7	-175.3	0	0	0	0	109.9	L345 L350	L345-V353 HydrophobicContact CD2-CB 4.24Å; L345-V353 HydrophobicContact CD2-CG1 3.96Å; L350-V353 HydrophobicContact CB-CB 4.4Å; L350-V353 HydrophobicContact CD2-CB 4.31Å; L350-V353 HydrophobicContact CD2-CG1 4.5Å; L350-V353 HydrophobicContact CD2-CG2 4.07Å; L350-V353 PolarHBondContact O-N 3.47Å; L350-V353 VanDerWaalsContact O-N 3.15Å
354	R	91.6	Very high	90.6	Very high	171 Å²	171	58 Å²	58	65%	0.645	29%	0.289	S	S	*	.			trans	-89.8	-12.9	-172.6	72.8	176.6	179.2	-152.7	0.6	116.2	L377 E379	R354-L377 HydrophobicContact CG-CD1 4.01Å; R354-E379 WeakPolarHBondContact CG-OE1 3.45Å; R354-E379 IonicContact CZ-OE1 3.78Å; R354-E379 IonicContact CZ-OE2 3.67Å; R354-E379 VanDerWaalsContact CZ-OE2 3.25Å; R354-E379 IonicContact NE-OE1 2.76Å; R354-E379 PolarHBondContact NE-OE1 2.96Å; R354-E379 IonicContact NE-OE2 3.94Å; R354-E379 PolarHBondContact NE-OE2 2.84Å; R354-E379 VanDerWaalsContact NE-OE2 3.13Å; R354-E379 IonicContact NH2-OE1 3.58Å; R354-E379 IonicContact NH2-OE2 3.65Å; R354-E379 PolarHBondContact NH2-OE2 2.71Å
355	A	94.2	Very high	90.6	Very high	2 Å²	2	61 Å²	61	2%	0.017	31%	0.314	C	S	.	.	S	Bend	trans	-146.9	153.4	-173.5	0	0	0	0	0	113	T357 N360 A375 L377 E379	A355-T357 HydrophobicContact CB-CG2 4.11Å; A355-N360 PolarHBondContact O-ND2 2.9Å; A355-A375 WeakPolarHBondContact CA-O 3.32Å; A355-L377 HydrophobicContact CB-CB 4.29Å; A355-L377 HydrophobicContact CB-CD1 3.92Å; A355-L377 HydrophobicContact CB-CG 3.92Å; A355-E379 HydrophobicContact CB-CG 4.43Å
356	V	96.1	Very high	90.5	Very high	0 Å²	0	63.4 Å²	63.4	0%	0	34%	0.34	C	S	.	.			trans	-75.3	129.7	161.5	-179.6	0	0	0	0	108.1	L345 N360 I361 F364 L374 A375 F376 S380 L392 F400	L345-V356 HydrophobicContact CD1-CG2 4.36Å; V356-N360 WeakPolarHBondContact CA-OD1 3.33Å; V356-I361 HydrophobicContact CG1-CB 4.45Å; V356-I361 HydrophobicContact CG1-CD1 3.83Å; V356-F364 HydrophobicContact CG1-CE2 4.1Å; V356-F364 HydrophobicContact CG2-CE2 4.1Å; V356-F364 HydrophobicContact CG2-CZ 4.41Å; V356-L374 HydrophobicContact CG2-CD2 4.02Å; V356-A375 PolarHBondContact N-O 3.12Å; V356-F376 HydrophobicContact CB-CD1 4.09Å; V356-F376 HydrophobicContact CB-CE1 3.72Å; V356-F376 HydrophobicContact CB-CZ 4.09Å; V356-F376 HydrophobicContact CG1-CD1 4.49Å; V356-F376 HydrophobicContact CG1-CE1 3.76Å; V356-F376 HydrophobicContact CG1-CZ 4.21Å; V356-F376 HydrophobicContact CG2-CE1 4.14Å; V356-F376 HydrophobicContact CG2-CE2 4.37Å; V356-F376 HydrophobicContact CG2-CZ 3.97Å; V356-S380 WeakPolarHBondContact O-CB 3.42Å; V356-S380 PolarHBondContact O-OG 2.71Å; V356-L392 HydrophobicContact CG1-CD2 4.27Å; V356-F400 HydrophobicContact CG1-CE2 4.3Å; V356-F400 HydrophobicContact CG1-CZ 4.13Å; V356-F400 HydrophobicContact CG2-CZ 4.43Å
357	T	95.4	Very high	91.1	Very high	19 Å²	19	61.8 Å²	61.8	12%	0.117	32%	0.322	C	S	.	.			trans	-143.2	174.8	-175.2	69.3	0	0	0	0	110.9	A355 A359 N360 I361 T389	A355-T357 HydrophobicContact CB-CG2 4.11Å; T357-A359 PolarHBondContact O-N 3.4Å; T357-A359 PolarHBondContact OG1-N 3.18Å; T357-N360 PolarHBondContact N-OD1 3.02Å; T357-N360 PolarHBondContact O-N 2.96Å; T357-N360 PolarHBondContact O-OD1 3.02Å; T357-I361 WeakPolarHBondContact O-CB 3.46Å; T357-I361 PolarHBondContact O-N 3Å; T357-T389 HydrophobicContact CG2-CG2 4.39Å
358	S	94.5	Very high	91.5	Very high	32 Å²	32	66.4 Å²	66.4	22%	0.224	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-20.7	175.6	81.9	0	0	0	0	113.8	A390	S358-A390 VanDerWaalsContact CB-O 3.27Å; S358-A390 WeakPolarHBondContact CB-O 3.37Å; S358-A390 PolarHBondContact OG-N 2.83Å; S358-A390 PolarHBondContact OG-O 3.5Å; S358-A390 VanDerWaalsContact OG-O 3.11Å
359	A	93.3	Very high	92	Very high	72 Å²	72	62.9 Å²	62.9	60%	0.595	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.6	-30.9	-177.9	0	0	0	0	0	113.2	T357 T389	T357-A359 PolarHBondContact O-N 3.4Å; T357-A359 PolarHBondContact OG1-N 3.18Å; A359-T389 HydrophobicContact CB-CG2 4.32Å
360	N	94.1	Very high	92.4	Very high	8 Å²	8	57.5 Å²	57.5	4%	0.043	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116.4	-12.4	-174.6	64.7	25.1	0	0	0	114.7	L350 A355 V356 T357 Q362 E363	L350-N360 HydrophobicContact CD2-CB 4.23Å; A355-N360 PolarHBondContact O-ND2 2.9Å; V356-N360 WeakPolarHBondContact CA-OD1 3.33Å; T357-N360 PolarHBondContact N-OD1 3.02Å; T357-N360 PolarHBondContact O-N 2.96Å; T357-N360 PolarHBondContact O-OD1 3.02Å; N360-Q362 PolarHBondContact O-N 3.24Å; N360-E363 WeakPolarHBondContact O-CB 3.48Å; N360-E363 WeakPolarHBondContact O-CG 3.37Å; N360-E363 PolarHBondContact O-N 3.31Å
361	I	95.1	Very high	92.6	Very high	0 Å²	0	59 Å²	59	0%	0	31%	0.306	C	S	.	.	G	3₁₀ helix	trans	-51.7	-35.6	-177.3	-176.5	63.2	0	0	0	113.8	V356 T357 E363 F364 L392 Q396 V399 F400	V356-I361 HydrophobicContact CG1-CB 4.45Å; V356-I361 HydrophobicContact CG1-CD1 3.83Å; T357-I361 WeakPolarHBondContact O-CB 3.46Å; T357-I361 PolarHBondContact O-N 3Å; I361-E363 PolarHBondContact O-N 2.79Å; I361-F364 HydrophobicContact CD1-CD2 4.39Å; I361-F364 WeakPolarHBondContact O-CD2 3.29Å; I361-F364 PolarHBondContact O-N 2.91Å; I361-L392 HydrophobicContact CB-CD1 3.88Å; I361-L392 HydrophobicContact CG1-CD1 3.98Å; I361-L392 HydrophobicContact CG2-CD1 3.8Å; I361-Q396 HydrophobicContact CG1-CB 4.22Å; I361-V399 HydrophobicContact CD1-CB 4.25Å; I361-V399 HydrophobicContact CD1-CG1 4.33Å; I361-V399 HydrophobicContact CG1-CB 4.45Å; I361-V399 HydrophobicContact CG1-CG2 4.34Å; I361-F400 HydrophobicContact CD1-CD2 4.24Å; I361-F400 HydrophobicContact CD1-CE2 3.36Å; I361-F400 HydrophobicContact CD1-CZ 3.76Å
362	Q	92.9	Very high	92.9	Very high	117 Å²	117	50.7 Å²	50.7	55%	0.547	27%	0.274	S	S	.	.	G	3₁₀ helix	trans	-69.7	-16.2	-178.2	-60.3	-59.4	-40.1	0	0	113.8	N360 F364 A365	N360-Q362 PolarHBondContact O-N 3.24Å; Q362-F364 PolarHBondContact O-N 3.5Å; Q362-A365 WeakPolarHBondContact O-CB 3.32Å; Q362-A365 PolarHBondContact O-N 3.22Å
363	E	92.5	Very high	93.6	Very high	89 Å²	89	43.1 Å²	43.1	42%	0.416	24%	0.239	S	C	.	.	G	3₁₀ helix	trans	-70.8	-19.6	175.9	-59.2	-177.8	-178.7	0	0	112.6	H349 N360 I361	H349-E363 IonicContact CD2-OE1 2.89Å; H349-E363 IonicContact CD2-OE2 2.86Å; H349-E363 PolarHBondContact CD2-OE2 2.86Å; H349-E363 IonicContact CE1-OE2 2.67Å; H349-E363 IonicContact NE2-OE1 2.69Å; H349-E363 IonicContact NE2-OE2 3.12Å; H349-E363 PolarHBondContact NE2-OE2 2.79Å; N360-E363 WeakPolarHBondContact O-CB 3.48Å; N360-E363 WeakPolarHBondContact O-CG 3.37Å; N360-E363 PolarHBondContact O-N 3.31Å; I361-E363 PolarHBondContact O-N 2.79Å
364	F	94.6	Very high	94	Very high	2 Å²	2	40.5 Å²	40.5	1%	0.009	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	-90.5	2.4	179.7	-51.2	-66.4	0	0	0	113.5	Y343 L350 V356 I361 Q362 G366 C367 I370 L374 V399 F400	Y343-F364 WeakPolarHBondContact O-CE1 3.45Å; L350-F364 HydrophobicContact CD1-CE1 4.2Å; L350-F364 HydrophobicContact CD1-CZ 3.91Å; V356-F364 HydrophobicContact CG1-CE2 4.1Å; V356-F364 HydrophobicContact CG2-CE2 4.1Å; V356-F364 HydrophobicContact CG2-CZ 4.41Å; I361-F364 HydrophobicContact CD1-CD2 4.39Å; I361-F364 WeakPolarHBondContact O-CD2 3.29Å; I361-F364 PolarHBondContact O-N 2.91Å; Q362-F364 PolarHBondContact O-N 3.5Å; F364-G366 PolarHBondContact O-N 2.92Å; F364-C367 VanDerWaalsContact CA-SG 3.56Å; F364-C367 VanDerWaalsContact O-CB 3.3Å; F364-C367 WeakPolarHBondContact O-CB 3.48Å; F364-C367 PolarHBondContact O-N 2.73Å; F364-C367 PolarHBondContact O-SG 3.2Å; F364-I370 HydrophobicContact CD1-CD1 3.69Å; F364-I370 HydrophobicContact CE1-CD1 4.36Å; F364-L374 HydrophobicContact CD1-CD2 4.36Å; F364-L374 HydrophobicContact CE1-CD2 3.91Å; F364-L374 HydrophobicContact CZ-CD2 4.03Å; F364-V399 VanDerWaalsContact C-CG1 3.44Å; F364-V399 HydrophobicContact CB-CG1 3.68Å; F364-F400 HydrophobicContact CB-CD1 4.17Å; F364-F400 HydrophobicContact CB-CE1 3.51Å; F364-F400 HydrophobicContact CB-CZ 4.03Å; F364-F400 HydrophobicContact CD1-CE1 4.12Å; F364-F400 AromaticContact CD2-CE1 3.78Å; F364-F400 HydrophobicContact CD2-CE1 3.78Å; F364-F400 AromaticContact CD2-CZ 3.55Å; F364-F400 HydrophobicContact CD2-CZ 3.55Å; F364-F400 HydrophobicContact CE2-CZ 4.18Å; F364-F400 AromaticContact CG-CE1 3.52Å; F364-F400 HydrophobicContact CG-CE1 3.52Å; F364-F400 AromaticContact CG-CZ 3.83Å; F364-F400 HydrophobicContact CG-CZ 3.83Å
365	A	93.3	Very high	94.3	Very high	62 Å²	62	32.5 Å²	32.5	51%	0.512	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	114	-175.3	0	0	0	0	0	113.4	Q362 C367	Q362-A365 WeakPolarHBondContact O-CB 3.32Å; Q362-A365 PolarHBondContact O-N 3.22Å; A365-C367 VanDerWaalsContact C-N 3.32Å
366	G	90.6	Very high	94.5	Very high	57 Å²	57	32.4 Å²	32.4	59%	0.588	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	78.2	12.8	179	0	0	0	0	0	114.6	F364 K368 T402	F364-G366 PolarHBondContact O-N 2.92Å; G366-K368 PolarHBondContact O-N 2.73Å; G366-T402 WeakPolarHBondContact CA-OG1 3.41Å
367	C	94.2	Very high	94.4	Very high	8 Å²	8	33.7 Å²	33.7	5%	0.054	20%	0.2	C	C	.	.			trans	-76.4	117.2	-178.8	-64.2	0	0	0	0	112	C342 F364 A365 I370 T402 L403	C342-C367 HydrophobicContact CB-CB 3.66Å; C342-C367 WeakPolarHBondContact CB-SG 3.37Å; C342-C367 WeakPolarHBondContact SG-CB 3.34Å; C342-C367 CovalentContact SG-SG 2.02Å; C342-C367 PolarHBondContact SG-SG 3.41Å; F364-C367 VanDerWaalsContact CA-SG 3.56Å; F364-C367 VanDerWaalsContact O-CB 3.3Å; F364-C367 WeakPolarHBondContact O-CB 3.48Å; F364-C367 PolarHBondContact O-N 2.73Å; F364-C367 PolarHBondContact O-SG 3.2Å; A365-C367 VanDerWaalsContact C-N 3.32Å; C367-I370 HydrophobicContact CB-CD1 3.77Å; C367-T402 PolarHBondContact N-OG1 3.4Å; C367-T402 CarbonylContact O-C 3.39Å; C367-T402 PolarHBondContact O-OG1 3.24Å; C367-L403 WeakPolarHBondContact O-CA 3.48Å
368	K	94.1	Very high	94.4	Very high	130 Å²	130	35.9 Å²	35.9	57%	0.565	21%	0.214	S	C	*	.	S	Bend	trans	-80.3	-26.7	170.9	-76.4	-178.5	170.2	-67	0	114	G366 T402 E404 E405	G366-K368 PolarHBondContact O-N 2.73Å; K368-T402 WeakPolarHBondContact CA-O 3.4Å; K368-E404 IonicContact NZ-OE1 3.55Å; K368-E404 PolarHBondContact NZ-OE1 2.75Å; K368-E404 WeakPolarHBondContact O-CA 3.33Å; K368-E404 WeakPolarHBondContact O-CB 3.2Å; K368-E404 PolarHBondContact O-N 3.46Å; K368-E405 PolarHBondContact O-N 2.8Å; K368-E405 VanDerWaalsContact O-N 3.16Å
369	K	93.9	Very high	94.3	Very high	45 Å²	45	36.9 Å²	36.9	20%	0.196	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	130.1	179.4	176.1	167.5	170.7	161	0	110.8	E321 F371 E405	E321-K369 IonicContact OE2-NZ 3.64Å; E321-K369 PolarHBondContact OE2-NZ 3.15Å; K369-F371 HydrophobicContact CB-CE2 4.37Å; K369-F371 HydrophobicContact CD-CE2 3.87Å; K369-F371 HydrophobicContact CD-CZ 3.95Å; K369-F371 HydrophobicContact CG-CD2 4.12Å; K369-F371 HydrophobicContact CG-CE2 3.76Å; K369-F371 HydrophobicContact CG-CZ 4.34Å; K369-E405 CarbonylContact C-O 3.5Å; K369-E405 VanDerWaalsContact CA-O 3.24Å; K369-E405 WeakPolarHBondContact CA-O 3.04Å; K369-E405 HydrophobicContact CB-CB 4.36Å; K369-E405 HydrophobicContact CD-CB 4.27Å; K369-E405 HydrophobicContact CD-CG 4.19Å; K369-E405 VanDerWaalsContact CE-OE1 3.26Å; K369-E405 WeakPolarHBondContact CE-OE1 3.31Å; K369-E405 HydrophobicContact CG-CB 4.09Å; K369-E405 HydrophobicContact CG-CG 4.27Å; K369-E405 IonicContact NZ-OE1 3.65Å; K369-E405 PolarHBondContact NZ-OE1 3.36Å
370	I	95	Very high	94.3	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	123.9	173.1	-62.1	-51	0	0	0	109.9	C342 G344 F364 C367 G372 L374 L403 E405 T407	C342-I370 HydrophobicContact CB-CD1 3.65Å; G344-I370 VanDerWaalsContact CA-CG2 3.47Å; F364-I370 HydrophobicContact CD1-CD1 3.69Å; F364-I370 HydrophobicContact CE1-CD1 4.36Å; C367-I370 HydrophobicContact CB-CD1 3.77Å; I370-G372 PolarHBondContact O-N 2.91Å; I370-L374 HydrophobicContact CG2-CD2 4.43Å; I370-L403 HydrophobicContact CB-CD1 4.47Å; I370-L403 HydrophobicContact CG1-CD1 3.75Å; I370-L403 HydrophobicContact CG1-CD2 4.03Å; I370-E405 PolarHBondContact N-O 3.34Å; I370-T407 PolarHBondContact O-N 3.43Å; I370-T407 PolarHBondContact O-OG1 3.32Å
371	F	92.1	Very high	94.4	Very high	36 Å²	36	34.9 Å²	34.9	16%	0.158	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	88.9	172.9	-71.1	-103.6	0	0	0	108.8	E321 V341 C342 Y343 G344 M347 K369 T407	E321-F371 HydrophobicContact CB-CE1 4.41Å; E321-F371 HydrophobicContact CG-CE1 4.13Å; E321-F371 WeakPolarHBondContact OE1-CE1 3.21Å; V341-F371 HydrophobicContact CB-CD2 3.63Å; V341-F371 HydrophobicContact CB-CE2 3.73Å; V341-F371 HydrophobicContact CB-CG 4.29Å; V341-F371 HydrophobicContact CB-CZ 4.46Å; V341-F371 HydrophobicContact CG1-CD2 3.97Å; V341-F371 HydrophobicContact CG1-CE2 3.55Å; V341-F371 HydrophobicContact CG1-CZ 3.89Å; V341-F371 HydrophobicContact CG2-CD2 4.22Å; V341-F371 HydrophobicContact CG2-CG 4.4Å; C342-F371 PolarHBondContact O-N 3Å; Y343-F371 CarbonylContact C-O 3.56Å; Y343-F371 WeakPolarHBondContact CA-O 3.07Å; Y343-F371 HydrophobicContact CD1-CB 4.12Å; Y343-F371 HydrophobicContact CE1-CB 4.48Å; G344-F371 PolarHBondContact N-O 2.99Å; M347-F371 WeakPolarHBondContact CG-O 3.39Å; K369-F371 HydrophobicContact CB-CE2 4.37Å; K369-F371 HydrophobicContact CD-CE2 3.87Å; K369-F371 HydrophobicContact CD-CZ 3.95Å; K369-F371 HydrophobicContact CG-CD2 4.12Å; K369-F371 HydrophobicContact CG-CE2 3.76Å; K369-F371 HydrophobicContact CG-CZ 4.34Å; F371-T407 WeakPolarHBondContact CA-OG1 3.43Å; F371-T407 HydrophobicContact CD1-CG2 4.39Å
372	G	92.6	Very high	94.2	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	22%	0.224	C	C	.	.	S	Bend	trans	136.6	-161.5	-169.3	0	0	0	0	0	111.1	I370 I406 T407 G408	I370-G372 PolarHBondContact O-N 2.91Å; G372-I406 WeakPolarHBondContact O-CG2 3.26Å; G372-T407 PolarHBondContact N-OG1 3.47Å; G372-G408 VanDerWaalsContact O-CA 3.29Å; G372-G408 WeakPolarHBondContact O-CA 3.19Å; G372-G408 PolarHBondContact O-N 3.44Å
373	S	96.3	Very high	94	Very high	1 Å²	1	35.5 Å²	35.5	1%	0.007	20%	0.202	C	C	.	.	B	Isolated β-bridge	trans	-114.6	164.6	-175.7	-48.5	0	0	0	0	112.1	G344 L345 Y409	G344-S373 CarbonylContact C-O 3.51Å; G344-S373 WeakPolarHBondContact CA-O 3.36Å; L345-S373 WeakPolarHBondContact CB-O 3.45Å; L345-S373 PolarHBondContact N-O 3.19Å; L345-S373 PolarHBondContact O-N 3.19Å; S373-Y409 WeakPolarHBondContact CA-O 3.39Å; S373-Y409 WeakPolarHBondContact CB-O 3.49Å; S373-Y409 WeakPolarHBondContact OG-CD1 3.47Å; S373-Y409 VanDerWaalsContact OG-CE1 3.24Å; S373-Y409 WeakPolarHBondContact OG-CE1 3.32Å; S373-Y409 PolarHBondContact OG-N 3.46Å
374	L	97.9	Very high	93.7	Very high	0 Å²	0	34 Å²	34	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	134.6	169.7	-63.7	178.3	0	0	0	109.6	V356 F364 I370 F376 F400 L403 I406 Y409 L410 Y411 F425	V356-L374 HydrophobicContact CG2-CD2 4.02Å; F364-L374 HydrophobicContact CD1-CD2 4.36Å; F364-L374 HydrophobicContact CE1-CD2 3.91Å; F364-L374 HydrophobicContact CZ-CD2 4.03Å; I370-L374 HydrophobicContact CG2-CD2 4.43Å; L374-F376 HydrophobicContact CB-CE2 4.16Å; L374-F400 HydrophobicContact CD1-CD1 3.99Å; L374-F400 HydrophobicContact CD1-CE1 3.67Å; L374-F400 HydrophobicContact CD1-CZ 4.27Å; L374-F400 HydrophobicContact CD2-CE1 3.95Å; L374-F400 HydrophobicContact CD2-CZ 4.22Å; L374-L403 HydrophobicContact CD1-CD2 3.79Å; L374-I406 HydrophobicContact CD1-CD1 3.97Å; L374-I406 HydrophobicContact CG-CD1 4.49Å; L374-Y409 PolarHBondContact N-O 3.13Å; L374-L410 HydrophobicContact CB-CD1 3.91Å; L374-L410 WeakPolarHBondContact O-CA 3.45Å; L374-Y411 PolarHBondContact O-N 3.12Å; L374-F425 HydrophobicContact CD1-CE1 4.01Å; L374-F425 HydrophobicContact CD1-CZ 4.39Å
375	A	97.6	Very high	93.2	Very high	3 Å²	3	39.8 Å²	39.8	3%	0.025	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	129.4	179.3	0	0	0	0	0	110.5	L345 A355 V356 Y411	L345-A375 HydrophobicContact CD1-CB 3.58Å; L345-A375 VanDerWaalsContact CD1-N 3.34Å; A355-A375 WeakPolarHBondContact CA-O 3.32Å; V356-A375 PolarHBondContact N-O 3.12Å; A375-Y411 CarbonylContact C-O 3.6Å; A375-Y411 VanDerWaalsContact CA-O 3.24Å; A375-Y411 WeakPolarHBondContact CA-O 3.35Å; A375-Y411 HydrophobicContact CB-CD1 4.24Å
376	F	97.6	Very high	92.7	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	119.6	176.9	-62.3	-93.6	0	0	0	108.6	V356 L374 F381 L397 F400 L410 Y411 I412 S413 A414 W415 F425	V356-F376 HydrophobicContact CB-CD1 4.09Å; V356-F376 HydrophobicContact CB-CE1 3.72Å; V356-F376 HydrophobicContact CB-CZ 4.09Å; V356-F376 HydrophobicContact CG1-CD1 4.49Å; V356-F376 HydrophobicContact CG1-CE1 3.76Å; V356-F376 HydrophobicContact CG1-CZ 4.21Å; V356-F376 HydrophobicContact CG2-CE1 4.14Å; V356-F376 HydrophobicContact CG2-CE2 4.37Å; V356-F376 HydrophobicContact CG2-CZ 3.97Å; L374-F376 HydrophobicContact CB-CE2 4.16Å; F376-F381 HydrophobicContact CB-CE2 4.21Å; F376-F381 HydrophobicContact CB-CZ 4.49Å; F376-F381 HydrophobicContact CD1-CZ 4.06Å; F376-L397 HydrophobicContact CD1-CD2 4.25Å; F376-L397 HydrophobicContact CE1-CD2 3.69Å; F376-F400 HydrophobicContact CE1-CE2 4.07Å; F376-F400 HydrophobicContact CZ-CD2 4.22Å; F376-F400 AromaticContact CZ-CE2 3.58Å; F376-F400 HydrophobicContact CZ-CE2 3.58Å; F376-F400 HydrophobicContact CZ-CZ 4.04Å; F376-L410 HydrophobicContact CE2-CD1 4.23Å; F376-Y411 PolarHBondContact N-O 2.89Å; F376-I412 HydrophobicContact CB-CG2 4.22Å; F376-I412 HydrophobicContact CD2-CG1 4.14Å; F376-S413 PolarHBondContact O-N 2.98Å; F376-S413 PolarHBondContact O-OG 3.08Å; F376-A414 PolarHBondContact O-N 3.25Å; F376-W415 HydrophobicContact CD1-CZ3 4.19Å; F376-W415 HydrophobicContact CD2-CZ3 4.37Å; F376-W415 HydrophobicContact CE1-CZ3 4.36Å; F376-W415 HydrophobicContact CG-CZ3 4.2Å; F376-F425 HydrophobicContact CE2-CE2 4.19Å; F376-F425 AromaticContact CE2-CZ 3.7Å; F376-F425 HydrophobicContact CE2-CZ 3.7Å; F376-F425 AromaticContact CZ-CZ 3.86Å; F376-F425 HydrophobicContact CZ-CZ 3.86Å
377	L	95.6	Very high	92.4	Very high	27 Å²	27	41.9 Å²	41.9	14%	0.141	24%	0.242	C	C	.	.			trans	-120.3	166	-172.6	-57	-170.7	0	0	0	109.3	R354 A355 E379 S380 Y411 S413	R354-L377 HydrophobicContact CG-CD1 4.01Å; A355-L377 HydrophobicContact CB-CB 4.29Å; A355-L377 HydrophobicContact CB-CD1 3.92Å; A355-L377 HydrophobicContact CB-CG 3.92Å; L377-E379 VanDerWaalsContact C-N 3.29Å; L377-E379 HydrophobicContact CB-CG 3.8Å; L377-E379 HydrophobicContact CD1-CG 4.39Å; L377-E379 PolarHBondContact O-N 3.24Å; L377-S380 PolarHBondContact N-OG 2.72Å; L377-S380 VanDerWaalsContact N-OG 3.14Å; L377-S380 WeakPolarHBondContact O-CB 3.39Å; L377-S380 PolarHBondContact O-N 2.64Å; L377-S380 PolarHBondContact O-OG 3.48Å; L377-Y411 HydrophobicContact CD2-CD1 3.84Å; L377-Y411 HydrophobicContact CD2-CE1 3.46Å; L377-Y411 VanDerWaalsContact CD2-CE1 3.46Å; L377-S413 WeakPolarHBondContact CD2-OG 3.46Å
378	P	94.4	Very high	92.1	Very high	64 Å²	64	48.6 Å²	48.6	42%	0.416	28%	0.278	S	S	.	.	H	α-helix	trans	-52.1	-45	175.2	-29.1	36	0	0	0	113.3	S380 F381 D382 A414	P378-S380 PolarHBondContact O-N 2.73Å; P378-F381 PolarHBondContact O-N 2.78Å; P378-D382 WeakPolarHBondContact CB-OD2 3.19Å; P378-D382 WeakPolarHBondContact O-CB 3.15Å; P378-D382 PolarHBondContact O-N 3.24Å; P378-A414 HydrophobicContact CB-CB 4.46Å; P378-A414 HydrophobicContact CG-CB 4.17Å
379	E	92	Very high	91.9	Very high	54 Å²	54	43.6 Å²	43.6	25%	0.252	26%	0.258	S	S	.	.	H	α-helix	trans	-56.1	-20.2	173.6	65.1	-169.9	-141.1	0	0	115.3	R354 A355 L377 F381 G383	R354-E379 WeakPolarHBondContact CG-OE1 3.45Å; R354-E379 IonicContact CZ-OE1 3.78Å; R354-E379 IonicContact CZ-OE2 3.67Å; R354-E379 VanDerWaalsContact CZ-OE2 3.25Å; R354-E379 IonicContact NE-OE1 2.76Å; R354-E379 PolarHBondContact NE-OE1 2.96Å; R354-E379 IonicContact NE-OE2 3.94Å; R354-E379 PolarHBondContact NE-OE2 2.84Å; R354-E379 VanDerWaalsContact NE-OE2 3.13Å; R354-E379 IonicContact NH2-OE1 3.58Å; R354-E379 IonicContact NH2-OE2 3.65Å; R354-E379 PolarHBondContact NH2-OE2 2.71Å; A355-E379 HydrophobicContact CB-CG 4.43Å; L377-E379 VanDerWaalsContact C-N 3.29Å; L377-E379 HydrophobicContact CB-CG 3.8Å; L377-E379 HydrophobicContact CD1-CG 4.39Å; L377-E379 PolarHBondContact O-N 3.24Å; E379-F381 VanDerWaalsContact C-N 3.31Å; E379-G383 CarbonylContact O-C 3.28Å; E379-G383 VanDerWaalsContact O-CA 3.31Å; E379-G383 WeakPolarHBondContact O-CA 3.2Å; E379-G383 PolarHBondContact O-N 2.73Å
380	S	93.9	Very high	91.8	Very high	0 Å²	0	44 Å²	44	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-62.4	-41.5	170.7	-60.5	0	0	0	0	110.8	V356 L377 P378 L392	V356-S380 WeakPolarHBondContact O-CB 3.42Å; V356-S380 PolarHBondContact O-OG 2.71Å; L377-S380 PolarHBondContact N-OG 2.72Å; L377-S380 VanDerWaalsContact N-OG 3.14Å; L377-S380 WeakPolarHBondContact O-CB 3.39Å; L377-S380 PolarHBondContact O-N 2.64Å; L377-S380 PolarHBondContact O-OG 3.48Å; P378-S380 PolarHBondContact O-N 2.73Å; S380-L392 WeakPolarHBondContact O-CB 3.48Å; S380-L392 PolarHBondContact O-N 3.08Å
381	F	95.3	Very high	91.8	Very high	37 Å²	37	46.8 Å²	46.8	16%	0.162	29%	0.287	C	S	.	.	H	α-helix	trans	-105.1	-32.5	-171	-55.7	-73.7	0	0	0	112.9	F376 P378 E379 G383 P391 L392 L397 A414 W415 P416	F376-F381 HydrophobicContact CB-CE2 4.21Å; F376-F381 HydrophobicContact CB-CZ 4.49Å; F376-F381 HydrophobicContact CD1-CZ 4.06Å; P378-F381 PolarHBondContact O-N 2.78Å; E379-F381 VanDerWaalsContact C-N 3.31Å; F381-G383 PolarHBondContact O-N 3.38Å; F381-P391 VanDerWaalsContact O-CB 3.27Å; F381-P391 WeakPolarHBondContact O-CB 3.19Å; F381-L392 HydrophobicContact CD1-CB 4.35Å; F381-L392 HydrophobicContact CE1-CD2 4.24Å; F381-L397 HydrophobicContact CE1-CD1 4.16Å; F381-L397 HydrophobicContact CE1-CD2 4.29Å; F381-L397 HydrophobicContact CZ-CD1 4.49Å; F381-L397 HydrophobicContact CZ-CD2 4.44Å; F381-A414 HydrophobicContact CD2-CB 3.78Å; F381-A414 HydrophobicContact CE2-CB 4.06Å; F381-A414 WeakPolarHBondContact CE2-O 3.28Å; F381-W415 HydrophobicContact CZ-CE3 4.28Å; F381-P416 HydrophobicContact CD1-CG 3.92Å; F381-P416 HydrophobicContact CE1-CG 3.65Å; F381-P416 HydrophobicContact CZ-CG 4.29Å
382	D	92.7	Very high	92	Very high	123 Å²	123	45.2 Å²	45.2	66%	0.658	28%	0.281	S	S	*	.	H	α-helix	trans	-70.1	-24.8	169.8	-62.8	-37.8	0	0	0	111.8	P378	P378-D382 WeakPolarHBondContact CB-OD2 3.19Å; P378-D382 WeakPolarHBondContact O-CB 3.15Å; P378-D382 PolarHBondContact O-N 3.24Å
383	G	86.8	Confident	92.1	Very high	8 Å²	8	49.7 Å²	49.7	8%	0.082	30%	0.302	C	S	.	.			trans	75.4	179	-167.5	0	0	0	0	0	112.6	E379 F381	E379-G383 CarbonylContact O-C 3.28Å; E379-G383 VanDerWaalsContact O-CA 3.31Å; E379-G383 WeakPolarHBondContact O-CA 3.2Å; E379-G383 PolarHBondContact O-N 2.73Å; F381-G383 PolarHBondContact O-N 3.38Å
384	D	86.3	Confident	91.9	Very high	57 Å²	57	51 Å²	51	31%	0.305	31%	0.31	S	S	.	.	B	Isolated β-bridge	trans	-135.2	105.1	171.4	170.7	31.4	0	0	0	110.7	A386 S387 N388 T389	D384-A386 PolarHBondContact O-N 2.9Å; D384-A386 VanDerWaalsContact OD1-CB 3.31Å; D384-A386 WeakPolarHBondContact OD1-CB 3.13Å; D384-A386 PolarHBondContact OD1-N 2.69Å; D384-S387 PolarHBondContact O-OG 3.14Å; D384-S387 WeakPolarHBondContact OD2-CB 3.45Å; D384-S387 PolarHBondContact OD2-N 3.47Å; D384-S387 PolarHBondContact OD2-OG 2.59Å; D384-N388 PolarHBondContact O-N 3.11Å; D384-N388 VanDerWaalsContact O-N 3.14Å; D384-T389 PolarHBondContact N-O 3.19Å; D384-T389 PolarHBondContact O-N 2.92Å
385	P	84.5	Confident	91.7	Very high	123 Å²	123	57.5 Å²	57.5	80%	0.799	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-23.3	175	-25	35.3	0	0	0	114.6	N388	P385-N388 PolarHBondContact O-N 2.96Å
386	A	84.2	Confident	91.6	Very high	95 Å²	95	59.9 Å²	59.9	79%	0.785	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77	-40	-177.3	0	0	0	0	0	112.5	D384 N388	D384-A386 PolarHBondContact O-N 2.9Å; D384-A386 VanDerWaalsContact OD1-CB 3.31Å; D384-A386 WeakPolarHBondContact OD1-CB 3.13Å; D384-A386 PolarHBondContact OD1-N 2.69Å; A386-N388 VanDerWaalsContact C-N 3.3Å
387	S	83.8	Confident	91.5	Very high	68 Å²	68	59.9 Å²	59.9	48%	0.476	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84	-1.3	169	61.3	0	0	0	0	114.1	D384 T389	D384-S387 PolarHBondContact O-OG 3.14Å; D384-S387 WeakPolarHBondContact OD2-CB 3.45Å; D384-S387 PolarHBondContact OD2-N 3.47Å; D384-S387 PolarHBondContact OD2-OG 2.59Å; S387-T389 PolarHBondContact O-N 3.01Å; S387-T389 WeakPolarHBondContact OG-CB 3.35Å; S387-T389 PolarHBondContact OG-OG1 3.32Å
388	N	87.4	Confident	91.4	Very high	150 Å²	150	63 Å²	63	80%	0.802	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.5	34.9	-171.2	-171.1	66	0	0	0	112.5	D384 P385 A386	D384-N388 PolarHBondContact O-N 3.11Å; D384-N388 VanDerWaalsContact O-N 3.14Å; P385-N388 PolarHBondContact O-N 2.96Å; A386-N388 VanDerWaalsContact C-N 3.3Å
389	T	89.1	Confident	91.4	Very high	25 Å²	25	61.3 Å²	61.3	15%	0.153	35%	0.353	C	S	.	.	B	Isolated β-bridge	trans	-91.1	127	176.6	-59.1	0	0	0	0	109.6	T357 A359 D384 S387	T357-T389 HydrophobicContact CG2-CG2 4.39Å; A359-T389 HydrophobicContact CB-CG2 4.32Å; D384-T389 PolarHBondContact N-O 3.19Å; D384-T389 PolarHBondContact O-N 2.92Å; S387-T389 PolarHBondContact O-N 3.01Å; S387-T389 WeakPolarHBondContact OG-CB 3.35Å; S387-T389 PolarHBondContact OG-OG1 3.32Å
390	A	93.2	Very high	91.7	Very high	52 Å²	52	58.9 Å²	58.9	43%	0.43	34%	0.342	S	S	.	.	P	Polyproline II helix	trans	-80.6	156.9	-178.1	0	0	0	0	0	112.3	S358 L392	S358-A390 VanDerWaalsContact CB-O 3.27Å; S358-A390 WeakPolarHBondContact CB-O 3.37Å; S358-A390 PolarHBondContact OG-N 2.83Å; S358-A390 PolarHBondContact OG-O 3.5Å; S358-A390 VanDerWaalsContact OG-O 3.11Å; A390-L392 PolarHBondContact O-N 3.31Å
391	P	95	Very high	91.7	Very high	59 Å²	59	63.3 Å²	63.3	38%	0.383	36%	0.362	S	S	.	.	P	Polyproline II helix	trans	-46.2	121.5	164.1	-34.4	39.9	0	0	0	113.2	F381 Q393	F381-P391 VanDerWaalsContact O-CB 3.27Å; F381-P391 WeakPolarHBondContact O-CB 3.19Å; P391-Q393 PolarHBondContact O-N 3.06Å; P391-Q393 PolarHBondContact O-NE2 3.05Å
392	L	95.3	Very high	91.6	Very high	4 Å²	4	64.4 Å²	64.4	2%	0.021	37%	0.373	C	S	.	.			trans	-67.2	115.8	172.6	-177.3	61.8	0	0	0	109.6	V356 I361 S380 F381 A390 Q396 L397	V356-L392 HydrophobicContact CG1-CD2 4.27Å; I361-L392 HydrophobicContact CB-CD1 3.88Å; I361-L392 HydrophobicContact CG1-CD1 3.98Å; I361-L392 HydrophobicContact CG2-CD1 3.8Å; S380-L392 WeakPolarHBondContact O-CB 3.48Å; S380-L392 PolarHBondContact O-N 3.08Å; F381-L392 HydrophobicContact CD1-CB 4.35Å; F381-L392 HydrophobicContact CE1-CD2 4.24Å; A390-L392 PolarHBondContact O-N 3.31Å; L392-Q396 HydrophobicContact CD1-CB 3.85Å; L392-L397 HydrophobicContact CD2-CD2 3.76Å; L392-L397 HydrophobicContact CG-CD2 4.4Å
393	Q	94.3	Very high	91.9	Very high	93 Å²	93	58.6 Å²	58.6	44%	0.435	34%	0.342	S	S	.	.			trans	-75.5	141	-178.3	-54.2	-59.8	-77.4	0	0	110.5	P391 E395 Q396	P391-Q393 PolarHBondContact O-N 3.06Å; P391-Q393 PolarHBondContact O-NE2 3.05Å; Q393-E395 WeakPolarHBondContact CB-OE2 3.38Å; Q393-E395 PolarHBondContact O-N 2.94Å; Q393-E395 VanDerWaalsContact O-N 3.11Å; Q393-Q396 HydrophobicContact CB-CG 4.34Å; Q393-Q396 WeakPolarHBondContact O-CB 3.4Å; Q393-Q396 PolarHBondContact O-N 2.84Å
394	P	93.6	Very high	92.4	Very high	28 Å²	28	61 Å²	61	18%	0.182	35%	0.351	C	S	.	.	G	3₁₀ helix	trans	-55.5	-33	-175.3	-26.6	35.6	0	0	0	114.2	Q396 L397 P416 L419	P394-Q396 PolarHBondContact O-N 3.17Å; P394-L397 VanDerWaalsContact O-CB 3.29Å; P394-L397 WeakPolarHBondContact O-CB 3.37Å; P394-L397 WeakPolarHBondContact O-CG 3.41Å; P394-L397 PolarHBondContact O-N 3.03Å; P394-L397 VanDerWaalsContact O-N 3.16Å; P394-P416 HydrophobicContact CB-CB 4.2Å; P394-P416 HydrophobicContact CB-CG 4.06Å; P394-P416 HydrophobicContact CG-CB 3.85Å; P394-P416 HydrophobicContact CG-CG 3.94Å; P394-L419 HydrophobicContact CB-CD1 4.49Å
395	E	94	Very high	92.8	Very high	138 Å²	138	59.6 Å²	59.6	65%	0.645	34%	0.342	S	S	*	.	G	3₁₀ helix	trans	-65.5	-29	179.7	-58.2	70.2	-152.4	0	0	112	Q393 L397 Q398	Q393-E395 WeakPolarHBondContact CB-OE2 3.38Å; Q393-E395 PolarHBondContact O-N 2.94Å; Q393-E395 VanDerWaalsContact O-N 3.11Å; E395-L397 PolarHBondContact O-N 2.84Å; E395-Q398 PolarHBondContact O-N 3.47Å
396	Q	94.8	Very high	93.4	Very high	52 Å²	52	53.7 Å²	53.7	24%	0.243	30%	0.304	C	S	.	.	G	3₁₀ helix	trans	-70.6	-19.1	178.1	-62.1	-178	67.2	0	0	112.4	I361 L392 Q393 P394 Q398 V399	I361-Q396 HydrophobicContact CG1-CB 4.22Å; L392-Q396 HydrophobicContact CD1-CB 3.85Å; Q393-Q396 HydrophobicContact CB-CG 4.34Å; Q393-Q396 WeakPolarHBondContact O-CB 3.4Å; Q393-Q396 PolarHBondContact O-N 2.84Å; P394-Q396 PolarHBondContact O-N 3.17Å; Q396-Q398 PolarHBondContact O-N 2.84Å; Q396-V399 WeakPolarHBondContact O-CB 3.26Å; Q396-V399 VanDerWaalsContact O-CG2 3.28Å; Q396-V399 WeakPolarHBondContact O-CG2 3.37Å; Q396-V399 PolarHBondContact O-N 2.93Å
397	L	95.9	Very high	93.9	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	27%	0.269	C	S	.	.	G	3₁₀ helix	trans	-65.4	-25.4	176.3	-60	173.7	0	0	0	112.2	F376 F381 L392 P394 E395 V399 F400 W415 P416 L419 V424	F376-L397 HydrophobicContact CD1-CD2 4.25Å; F376-L397 HydrophobicContact CE1-CD2 3.69Å; F381-L397 HydrophobicContact CE1-CD1 4.16Å; F381-L397 HydrophobicContact CE1-CD2 4.29Å; F381-L397 HydrophobicContact CZ-CD1 4.49Å; F381-L397 HydrophobicContact CZ-CD2 4.44Å; L392-L397 HydrophobicContact CD2-CD2 3.76Å; L392-L397 HydrophobicContact CG-CD2 4.4Å; P394-L397 VanDerWaalsContact O-CB 3.29Å; P394-L397 WeakPolarHBondContact O-CB 3.37Å; P394-L397 WeakPolarHBondContact O-CG 3.41Å; P394-L397 PolarHBondContact O-N 3.03Å; P394-L397 VanDerWaalsContact O-N 3.16Å; E395-L397 PolarHBondContact O-N 2.84Å; L397-V399 PolarHBondContact O-N 2.82Å; L397-F400 WeakPolarHBondContact O-CD2 3.46Å; L397-F400 PolarHBondContact O-N 3.27Å; L397-W415 HydrophobicContact CD1-CH2 3.9Å; L397-W415 HydrophobicContact CD1-CZ2 4.09Å; L397-W415 HydrophobicContact CD1-CZ3 4.12Å; L397-W415 HydrophobicContact CD2-CZ3 4.41Å; L397-P416 HydrophobicContact CD1-CG 3.96Å; L397-L419 HydrophobicContact CD1-CD1 3.9Å; L397-V424 HydrophobicContact CB-CG1 4.1Å; L397-V424 HydrophobicContact CB-CG2 3.77Å; L397-V424 WeakPolarHBondContact O-CG1 3.26Å
398	Q	93.5	Very high	94.5	Very high	94 Å²	94	46.3 Å²	46.3	44%	0.439	25%	0.246	S	C	.	.	G	3₁₀ helix	trans	-62.2	-11.2	177.9	-63.1	-64.7	-5	0	0	113.8	E395 Q396 F400 E401	E395-Q398 PolarHBondContact O-N 3.47Å; Q396-Q398 PolarHBondContact O-N 2.84Å; Q398-F400 PolarHBondContact O-N 3.15Å; Q398-F400 VanDerWaalsContact O-N 3.14Å; Q398-E401 WeakPolarHBondContact O-CB 3.26Å; Q398-E401 PolarHBondContact O-N 3.05Å
399	V	94.2	Very high	94.9	Very high	28 Å²	28	41.1 Å²	41.1	17%	0.17	22%	0.216	C	C	.	.	G	3₁₀ helix	trans	-48.4	-34.4	164.4	161.6	0	0	0	0	112.5	I361 F364 Q396 L397	I361-V399 HydrophobicContact CD1-CB 4.25Å; I361-V399 HydrophobicContact CD1-CG1 4.33Å; I361-V399 HydrophobicContact CG1-CB 4.45Å; I361-V399 HydrophobicContact CG1-CG2 4.34Å; F364-V399 VanDerWaalsContact C-CG1 3.44Å; F364-V399 HydrophobicContact CB-CG1 3.68Å; Q396-V399 WeakPolarHBondContact O-CB 3.26Å; Q396-V399 VanDerWaalsContact O-CG2 3.28Å; Q396-V399 WeakPolarHBondContact O-CG2 3.37Å; Q396-V399 PolarHBondContact O-N 2.93Å; L397-V399 PolarHBondContact O-N 2.82Å
400	F	96.8	Very high	95.3	Very high	3 Å²	3	40 Å²	40	1%	0.013	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	-84.1	0.6	-179.8	-59.6	-71.1	0	0	0	114.8	V356 I361 F364 L374 F376 L397 Q398 T402 L403 V424 F425	V356-F400 HydrophobicContact CG1-CE2 4.3Å; V356-F400 HydrophobicContact CG1-CZ 4.13Å; V356-F400 HydrophobicContact CG2-CZ 4.43Å; I361-F400 HydrophobicContact CD1-CD2 4.24Å; I361-F400 HydrophobicContact CD1-CE2 3.36Å; I361-F400 HydrophobicContact CD1-CZ 3.76Å; F364-F400 HydrophobicContact CB-CD1 4.17Å; F364-F400 HydrophobicContact CB-CE1 3.51Å; F364-F400 HydrophobicContact CB-CZ 4.03Å; F364-F400 HydrophobicContact CD1-CE1 4.12Å; F364-F400 AromaticContact CD2-CE1 3.78Å; F364-F400 HydrophobicContact CD2-CE1 3.78Å; F364-F400 AromaticContact CD2-CZ 3.55Å; F364-F400 HydrophobicContact CD2-CZ 3.55Å; F364-F400 HydrophobicContact CE2-CZ 4.18Å; F364-F400 AromaticContact CG-CE1 3.52Å; F364-F400 HydrophobicContact CG-CE1 3.52Å; F364-F400 AromaticContact CG-CZ 3.83Å; F364-F400 HydrophobicContact CG-CZ 3.83Å; L374-F400 HydrophobicContact CD1-CD1 3.99Å; L374-F400 HydrophobicContact CD1-CE1 3.67Å; L374-F400 HydrophobicContact CD1-CZ 4.27Å; L374-F400 HydrophobicContact CD2-CE1 3.95Å; L374-F400 HydrophobicContact CD2-CZ 4.22Å; F376-F400 HydrophobicContact CE1-CE2 4.07Å; F376-F400 HydrophobicContact CZ-CD2 4.22Å; F376-F400 AromaticContact CZ-CE2 3.58Å; F376-F400 HydrophobicContact CZ-CE2 3.58Å; F376-F400 HydrophobicContact CZ-CZ 4.04Å; L397-F400 WeakPolarHBondContact O-CD2 3.46Å; L397-F400 PolarHBondContact O-N 3.27Å; Q398-F400 PolarHBondContact O-N 3.15Å; Q398-F400 VanDerWaalsContact O-N 3.14Å; F400-T402 PolarHBondContact O-N 2.97Å; F400-T402 VanDerWaalsContact O-N 3.12Å; F400-L403 HydrophobicContact CD1-CD2 3.99Å; F400-L403 WeakPolarHBondContact O-CB 3.18Å; F400-L403 PolarHBondContact O-N 3.19Å; F400-V424 CarbonylContact C-O 3.54Å; F400-V424 HydrophobicContact CB-CG1 3.82Å; F400-V424 HydrophobicContact CD2-CG1 4.24Å; F400-F425 HydrophobicContact CB-CD1 3.94Å; F400-F425 HydrophobicContact CB-CE1 3.54Å; F400-F425 HydrophobicContact CB-CZ 4.32Å; F400-F425 HydrophobicContact CD1-CE1 4.08Å; F400-F425 HydrophobicContact CD2-CE1 4.05Å; F400-F425 HydrophobicContact CD2-CZ 4.1Å; F400-F425 AromaticContact CG-CE1 3.63Å; F400-F425 HydrophobicContact CG-CE1 3.63Å; F400-F425 HydrophobicContact CG-CZ 4.16Å
401	E	94.1	Very high	95.5	Very high	92 Å²	92	38.7 Å²	38.7	43%	0.43	19%	0.193	S	C	.	.	G	3₁₀ helix	trans	-57.4	-31.7	178.6	-172.4	-175.4	-162.6	0	0	111.8	Q398 L403 Q426 N427	Q398-E401 WeakPolarHBondContact O-CB 3.26Å; Q398-E401 PolarHBondContact O-N 3.05Å; E401-L403 VanDerWaalsContact C-N 3.28Å; E401-L403 PolarHBondContact O-N 3.49Å; E401-Q426 PolarHBondContact OE1-NE2 3.32Å; E401-N427 WeakPolarHBondContact O-CB 3.43Å; E401-N427 PolarHBondContact O-ND2 2.94Å
402	T	94.7	Very high	95.7	Very high	61 Å²	61	35.9 Å²	35.9	37%	0.374	17%	0.174	S	C	.	.	G	3₁₀ helix	trans	-79.4	-3	179.1	61.9	0	0	0	0	114.9	G366 C367 K368 F400	G366-T402 WeakPolarHBondContact CA-OG1 3.41Å; C367-T402 PolarHBondContact N-OG1 3.4Å; C367-T402 CarbonylContact O-C 3.39Å; C367-T402 PolarHBondContact O-OG1 3.24Å; K368-T402 WeakPolarHBondContact CA-O 3.4Å; F400-T402 PolarHBondContact O-N 2.97Å; F400-T402 VanDerWaalsContact O-N 3.12Å
403	L	97.3	Very high	95.7	Very high	1 Å²	1	36.9 Å²	36.9	1%	0.005	18%	0.182	C	C	.	.			trans	-81	125.1	-170	-178.9	53.5	0	0	0	112.5	C367 I370 L374 F400 E401 E405 I406 F425 N427 L428	C367-L403 WeakPolarHBondContact O-CA 3.48Å; I370-L403 HydrophobicContact CB-CD1 4.47Å; I370-L403 HydrophobicContact CG1-CD1 3.75Å; I370-L403 HydrophobicContact CG1-CD2 4.03Å; L374-L403 HydrophobicContact CD1-CD2 3.79Å; F400-L403 HydrophobicContact CD1-CD2 3.99Å; F400-L403 WeakPolarHBondContact O-CB 3.18Å; F400-L403 PolarHBondContact O-N 3.19Å; E401-L403 VanDerWaalsContact C-N 3.28Å; E401-L403 PolarHBondContact O-N 3.49Å; L403-E405 WeakPolarHBondContact CD1-O 3.08Å; L403-I406 HydrophobicContact CD1-CG1 4.47Å; L403-I406 HydrophobicContact CD2-CD1 4.05Å; L403-I406 HydrophobicContact CD2-CG1 3.9Å; L403-I406 HydrophobicContact CG-CG1 4.41Å; L403-F425 HydrophobicContact CD2-CD1 4.26Å; L403-F425 HydrophobicContact CD2-CE1 4.16Å; L403-N427 CarbonylContact O-C 3.36Å; L403-L428 HydrophobicContact CG-CD1 4.32Å; L403-L428 WeakPolarHBondContact O-CA 3.3Å; L403-L428 PolarHBondContact O-N 2.72Å; L403-L428 VanDerWaalsContact O-N 3.16Å
404	E	97.3	Very high	95.8	Very high	59 Å²	59	33.3 Å²	33.3	28%	0.276	17%	0.168	S	C	.	.			trans	-114.3	-31.3	-177.6	-61.4	-178.4	-126.6	0	0	113.4	K368 Q429 V430	K368-E404 IonicContact NZ-OE1 3.55Å; K368-E404 PolarHBondContact NZ-OE1 2.75Å; K368-E404 WeakPolarHBondContact O-CA 3.33Å; K368-E404 WeakPolarHBondContact O-CB 3.2Å; K368-E404 PolarHBondContact O-N 3.46Å; E404-Q429 VanDerWaalsContact CG-NE2 3.31Å; E404-Q429 WeakPolarHBondContact O-CB 3.27Å; E404-Q429 PolarHBondContact O-N 2.79Å; E404-Q429 PolarHBondContact OE2-NE2 3.16Å; E404-V430 PolarHBondContact O-N 2.91Å
405	E	96.2	Very high	96	Very high	26 Å²	26	32.7 Å²	32.7	12%	0.121	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	135.1	-179.8	-178.7	170.2	140	0	0	113.6	K368 K369 I370 L403 V430 R432	K368-E405 PolarHBondContact O-N 2.8Å; K368-E405 VanDerWaalsContact O-N 3.16Å; K369-E405 CarbonylContact C-O 3.5Å; K369-E405 VanDerWaalsContact CA-O 3.24Å; K369-E405 WeakPolarHBondContact CA-O 3.04Å; K369-E405 HydrophobicContact CB-CB 4.36Å; K369-E405 HydrophobicContact CD-CB 4.27Å; K369-E405 HydrophobicContact CD-CG 4.19Å; K369-E405 VanDerWaalsContact CE-OE1 3.26Å; K369-E405 WeakPolarHBondContact CE-OE1 3.31Å; K369-E405 HydrophobicContact CG-CB 4.09Å; K369-E405 HydrophobicContact CG-CG 4.27Å; K369-E405 IonicContact NZ-OE1 3.65Å; K369-E405 PolarHBondContact NZ-OE1 3.36Å; I370-E405 PolarHBondContact N-O 3.34Å; L403-E405 WeakPolarHBondContact CD1-O 3.08Å; E405-V430 WeakPolarHBondContact CA-O 3.12Å; E405-V430 HydrophobicContact CG-CB 4.25Å; E405-R432 HydrophobicContact CG-CG 4.22Å; E405-R432 IonicContact OE1-CZ 3.78Å; E405-R432 IonicContact OE1-NE 3.61Å; E405-R432 PolarHBondContact OE1-NE 3.34Å; E405-R432 IonicContact OE1-NH2 3.73Å; E405-R432 IonicContact OE2-CZ 3.53Å; E405-R432 IonicContact OE2-NE 2.72Å; E405-R432 PolarHBondContact OE2-NE 2.04Å; E405-R432 IonicContact OE2-NH2 3.63Å; E405-R432 PolarHBondContact OE2-NH2 2.76Å
406	I	97.4	Very high	96.1	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	128	168.9	-63.6	170.1	0	0	0	108.3	G372 L374 L403 L410 L428 V430 I431 R432	G372-I406 WeakPolarHBondContact O-CG2 3.26Å; L374-I406 HydrophobicContact CD1-CD1 3.97Å; L374-I406 HydrophobicContact CG-CD1 4.49Å; L403-I406 HydrophobicContact CD1-CG1 4.47Å; L403-I406 HydrophobicContact CD2-CD1 4.05Å; L403-I406 HydrophobicContact CD2-CG1 3.9Å; L403-I406 HydrophobicContact CG-CG1 4.41Å; I406-L410 HydrophobicContact CD1-CB 4.3Å; I406-L428 HydrophobicContact CD1-CD1 3.94Å; I406-L428 HydrophobicContact CD1-CD2 3.91Å; I406-L428 HydrophobicContact CG1-CD1 3.86Å; I406-V430 PolarHBondContact N-O 3.15Å; I406-I431 HydrophobicContact CB-CG2 4.46Å; I406-I431 HydrophobicContact CG2-CG2 4.48Å; I406-R432 PolarHBondContact O-N 3.44Å
407	T	94.5	Very high	95.9	Very high	7 Å²	7	31.2 Å²	31.2	4%	0.043	16%	0.161	C	C	.	.	S	Bend	trans	-82.3	-30	178.7	66.5	0	0	0	0	114	I370 F371 G372 R432 G433 R434	I370-T407 PolarHBondContact O-N 3.43Å; I370-T407 PolarHBondContact O-OG1 3.32Å; F371-T407 WeakPolarHBondContact CA-OG1 3.43Å; F371-T407 HydrophobicContact CD1-CG2 4.39Å; G372-T407 PolarHBondContact N-OG1 3.47Å; T407-R432 WeakPolarHBondContact O-CB 3.46Å; T407-G433 PolarHBondContact O-N 2.99Å; T407-R434 WeakPolarHBondContact O-CB 3.18Å; T407-R434 PolarHBondContact O-N 3.02Å
408	G	94.8	Very high	95.8	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	19%	0.191	C	C	.	.	S	Bend	trans	-88.3	-133.3	173.4	0	0	0	0	0	112.4	G372 I431 G433 I435	G372-G408 VanDerWaalsContact O-CA 3.29Å; G372-G408 WeakPolarHBondContact O-CA 3.19Å; G372-G408 PolarHBondContact O-N 3.44Å; G408-I431 VanDerWaalsContact O-CG2 3.31Å; G408-I431 WeakPolarHBondContact O-CG2 3.33Å; G408-G433 VanDerWaalsContact O-CA 3.27Å; G408-G433 WeakPolarHBondContact O-CA 3.42Å; G408-G433 PolarHBondContact O-N 2.84Å; G408-I435 CarbonylContact C-O 3.1Å; G408-I435 VanDerWaalsContact C-O 3.24Å; G408-I435 WeakPolarHBondContact CA-O 3.22Å
409	Y	96.6	Very high	95.9	Very high	42 Å²	42	32.9 Å²	32.9	17%	0.165	18%	0.18	C	C	.	.			trans	-113.7	166.1	179.2	63.2	-98.4	0	0	0	112.8	S373 L374 I435 L436 H437 S442	S373-Y409 WeakPolarHBondContact CA-O 3.39Å; S373-Y409 WeakPolarHBondContact CB-O 3.49Å; S373-Y409 WeakPolarHBondContact OG-CD1 3.47Å; S373-Y409 VanDerWaalsContact OG-CE1 3.24Å; S373-Y409 WeakPolarHBondContact OG-CE1 3.32Å; S373-Y409 PolarHBondContact OG-N 3.46Å; L374-Y409 PolarHBondContact N-O 3.13Å; Y409-I435 HydrophobicContact CD1-CG2 4.12Å; Y409-I435 HydrophobicContact CE1-CG2 4.08Å; Y409-I435 PolarHBondContact N-O 2.03Å; Y409-L436 VanDerWaalsContact CD1-C 3.47Å; Y409-H437 HydrophobicContact CD1-CB 4.12Å; Y409-H437 HydrophobicContact CD2-CB 3.79Å; Y409-H437 HydrophobicContact CE1-CB 4.2Å; Y409-H437 HydrophobicContact CE2-CB 3.9Å; Y409-H437 HydrophobicContact CG-CB 3.91Å; Y409-S442 CarbonylContact C-O 3.45Å; Y409-S442 VanDerWaalsContact CA-O 3.28Å; Y409-S442 WeakPolarHBondContact CA-O 3.43Å; Y409-S442 WeakPolarHBondContact CB-O 3.3Å
410	L	98.1	Very high	95.9	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	120.3	165.6	179.3	60.5	0	0	0	109.6	L374 F376 I406 I412 F425 L428 I431 S442 L443 T444	L374-L410 HydrophobicContact CB-CD1 3.91Å; L374-L410 WeakPolarHBondContact O-CA 3.45Å; F376-L410 HydrophobicContact CE2-CD1 4.23Å; I406-L410 HydrophobicContact CD1-CB 4.3Å; L410-I412 HydrophobicContact CD1-CD1 4.29Å; L410-I412 HydrophobicContact CD1-CG1 4.17Å; L410-I412 HydrophobicContact CD2-CD1 4.43Å; L410-I412 HydrophobicContact CG-CD1 4.34Å; L410-I412 HydrophobicContact CG-CG1 4.26Å; L410-F425 HydrophobicContact CD1-CE2 4.28Å; L410-F425 HydrophobicContact CD1-CZ 4.2Å; L410-F425 HydrophobicContact CD2-CD2 4.35Å; L410-F425 HydrophobicContact CD2-CE2 4.49Å; L410-L428 HydrophobicContact CD2-CD2 4.18Å; L410-I431 HydrophobicContact CB-CD1 3.89Å; L410-I431 HydrophobicContact CD2-CD1 4.33Å; L410-S442 PolarHBondContact N-O 2.9Å; L410-L443 HydrophobicContact CB-CD1 4.14Å; L410-L443 HydrophobicContact CD2-CD1 4.03Å; L410-L443 HydrophobicContact CG-CD1 4.2Å; L410-L443 CarbonylContact O-C 3.53Å; L410-L443 WeakPolarHBondContact O-CA 3.03Å; L410-T444 PolarHBondContact O-N 3.05Å
411	Y	97.7	Very high	95.9	Very high	26 Å²	26	35.1 Å²	35.1	10%	0.102	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	128	178.9	-179.5	-91.9	0	0	0	110.2	L374 A375 F376 L377 S413 H437 T444 Q446	L374-Y411 PolarHBondContact O-N 3.12Å; A375-Y411 CarbonylContact C-O 3.6Å; A375-Y411 VanDerWaalsContact CA-O 3.24Å; A375-Y411 WeakPolarHBondContact CA-O 3.35Å; A375-Y411 HydrophobicContact CB-CD1 4.24Å; F376-Y411 PolarHBondContact N-O 2.89Å; L377-Y411 HydrophobicContact CD2-CD1 3.84Å; L377-Y411 HydrophobicContact CD2-CE1 3.46Å; L377-Y411 VanDerWaalsContact CD2-CE1 3.46Å; Y411-S413 WeakPolarHBondContact CE1-OG 3.29Å; Y411-S413 WeakPolarHBondContact OH-CB 3.42Å; Y411-H437 HydrophobicContact CD2-CB 4.5Å; Y411-H437 AromaticContact CD2-CD2 3.93Å; Y411-H437 AromaticContact CD2-CE1 3.44Å; Y411-H437 VanDerWaalsContact CD2-CE1 3.44Å; Y411-H437 WeakPolarHBondContact CD2-CE1 3.48Å; Y411-H437 AromaticContact CD2-CG 3.68Å; Y411-H437 AromaticContact CD2-ND1 3.36Å; Y411-H437 WeakPolarHBondContact CD2-ND1 3.02Å; Y411-H437 AromaticContact CD2-NE2 3.82Å; Y411-H437 AromaticContact CE2-CE1 3.18Å; Y411-H437 WeakPolarHBondContact CE2-CE1 3.39Å; Y411-H437 AromaticContact CE2-ND1 3.54Å; Y411-H437 AromaticContact CE2-NE2 3.72Å; Y411-T444 HydrophobicContact CD2-CG2 3.75Å; Y411-T444 HydrophobicContact CE2-CG2 3.61Å; Y411-Q446 PolarHBondContact OH-OE1 2.89Å
412	I	97.9	Very high	96	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	110.7	178.9	-47.9	-173.6	0	0	0	108.2	F376 L410 A414 W415 L422 F425 T444 L445 Q446 L448	F376-I412 HydrophobicContact CB-CG2 4.22Å; F376-I412 HydrophobicContact CD2-CG1 4.14Å; L410-I412 HydrophobicContact CD1-CD1 4.29Å; L410-I412 HydrophobicContact CD1-CG1 4.17Å; L410-I412 HydrophobicContact CD2-CD1 4.43Å; L410-I412 HydrophobicContact CG-CD1 4.34Å; L410-I412 HydrophobicContact CG-CG1 4.26Å; I412-A414 WeakPolarHBondContact CG2-O 3.47Å; I412-W415 HydrophobicContact CD1-CE3 4.32Å; I412-W415 HydrophobicContact CD1-CZ3 4.25Å; I412-W415 HydrophobicContact CG2-CB 4.24Å; I412-W415 HydrophobicContact CG2-CD2 4.44Å; I412-W415 HydrophobicContact CG2-CE3 3.86Å; I412-L422 HydrophobicContact CD1-CD1 4.01Å; I412-L422 HydrophobicContact CD1-CD2 3.88Å; I412-F425 HydrophobicContact CD1-CE2 4.26Å; I412-T444 PolarHBondContact N-O 2.87Å; I412-L445 HydrophobicContact CB-CD2 3.79Å; I412-L445 HydrophobicContact CD1-CD2 3.72Å; I412-L445 HydrophobicContact CG1-CD2 3.79Å; I412-Q446 PolarHBondContact O-N 2.88Å; I412-L448 HydrophobicContact CB-CD1 4.05Å; I412-L448 HydrophobicContact CG2-CD1 3.65Å; I412-L448 HydrophobicContact CG2-CD2 3.86Å; I412-L448 HydrophobicContact CG2-CG 4.42Å
413	S	96	Very high	96	Very high	25 Å²	25	29.3 Å²	29.3	18%	0.175	17%	0.166	C	C	.	.	S	Bend	trans	-116.2	0.7	172.9	65.6	0	0	0	0	114.3	F376 L377 Y411 Q446	F376-S413 PolarHBondContact O-N 2.98Å; F376-S413 PolarHBondContact O-OG 3.08Å; L377-S413 WeakPolarHBondContact CD2-OG 3.46Å; Y411-S413 WeakPolarHBondContact CE1-OG 3.29Å; Y411-S413 WeakPolarHBondContact OH-CB 3.42Å; S413-Q446 WeakPolarHBondContact CA-O 3.47Å
414	A	96.7	Very high	95.9	Very high	17 Å²	17	29.5 Å²	29.5	14%	0.14	17%	0.167	C	C	.	.			trans	-146.9	150.1	162.6	0	0	0	0	0	109.3	F376 P378 F381 I412	F376-A414 PolarHBondContact O-N 3.25Å; P378-A414 HydrophobicContact CB-CB 4.46Å; P378-A414 HydrophobicContact CG-CB 4.17Å; F381-A414 HydrophobicContact CD2-CB 3.78Å; F381-A414 HydrophobicContact CE2-CB 4.06Å; F381-A414 WeakPolarHBondContact CE2-O 3.28Å; I412-A414 WeakPolarHBondContact CG2-O 3.47Å
415	W	97.2	Very high	95.9	Very high	15 Å²	15	26.7 Å²	26.7	6%	0.057	15%	0.154	C	C	.	.			trans	-154.2	148.8	175.7	-161.9	-112.4	0	0	0	108.7	F376 F381 L397 I412 D417 L419 D421 L422 V424 F425 L448	F376-W415 HydrophobicContact CD1-CZ3 4.19Å; F376-W415 HydrophobicContact CD2-CZ3 4.37Å; F376-W415 HydrophobicContact CE1-CZ3 4.36Å; F376-W415 HydrophobicContact CG-CZ3 4.2Å; F381-W415 HydrophobicContact CZ-CE3 4.28Å; L397-W415 HydrophobicContact CD1-CH2 3.9Å; L397-W415 HydrophobicContact CD1-CZ2 4.09Å; L397-W415 HydrophobicContact CD1-CZ3 4.12Å; L397-W415 HydrophobicContact CD2-CZ3 4.41Å; I412-W415 HydrophobicContact CD1-CE3 4.32Å; I412-W415 HydrophobicContact CD1-CZ3 4.25Å; I412-W415 HydrophobicContact CG2-CB 4.24Å; I412-W415 HydrophobicContact CG2-CD2 4.44Å; I412-W415 HydrophobicContact CG2-CE3 3.86Å; W415-D417 PolarHBondContact O-N 3.39Å; W415-L419 HydrophobicContact CZ2-CD1 4.27Å; W415-D421 PolarHBondContact NE1-O 3.44Å; W415-L422 HydrophobicContact CD2-CD2 3.86Å; W415-L422 HydrophobicContact CE3-CD2 4.44Å; W415-L422 HydrophobicContact CG-CD2 4.13Å; W415-L422 HydrophobicContact CZ2-CD2 4Å; W415-V424 HydrophobicContact CH2-CB 4.03Å; W415-V424 HydrophobicContact CH2-CG1 4.13Å; W415-V424 HydrophobicContact CH2-CG2 4.13Å; W415-V424 HydrophobicContact CZ2-CB 3.94Å; W415-V424 HydrophobicContact CZ2-CG2 3.8Å; W415-F425 HydrophobicContact CH2-CD2 4.33Å; W415-F425 AromaticContact CH2-CE2 3.72Å; W415-F425 HydrophobicContact CH2-CE2 3.72Å; W415-F425 HydrophobicContact CZ3-CE2 4.14Å; W415-L448 HydrophobicContact CB-CD2 4.05Å
416	P	95.6	Very high	95.9	Very high	16 Å²	16	26.9 Å²	26.9	10%	0.104	16%	0.155	C	C	.	.			trans	-66.3	126.1	-179	-19.9	32.7	0	0	0	112	F381 P394 L397 S418 L419	F381-P416 HydrophobicContact CD1-CG 3.92Å; F381-P416 HydrophobicContact CE1-CG 3.65Å; F381-P416 HydrophobicContact CZ-CG 4.29Å; P394-P416 HydrophobicContact CB-CB 4.2Å; P394-P416 HydrophobicContact CB-CG 4.06Å; P394-P416 HydrophobicContact CG-CB 3.85Å; P394-P416 HydrophobicContact CG-CG 3.94Å; L397-P416 HydrophobicContact CD1-CG 3.96Å; P416-S418 PolarHBondContact O-N 3.09Å; P416-L419 HydrophobicContact CB-CG 4.43Å; P416-L419 HydrophobicContact CG-CD1 4.29Å; P416-L419 PolarHBondContact O-N 2.97Å
417	D	92	Very high	95.9	Very high	143 Å²	143	29.1 Å²	29.1	77%	0.765	17%	0.167	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63	-12.7	178.9	-54.8	-80.5	0	0	0	114	W415 L419	W415-D417 PolarHBondContact O-N 3.39Å; D417-L419 VanDerWaalsContact C-N 3.26Å
418	S	93.8	Very high	96	Very high	89 Å²	89	28.8 Å²	28.8	62%	0.622	17%	0.165	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.8	-13.6	170.8	56.2	0	0	0	0	113.8	P416	P416-S418 PolarHBondContact O-N 3.09Å
419	L	94.9	Very high	96.2	Very high	40 Å²	40	30.7 Å²	30.7	21%	0.209	17%	0.174	C	C	.	.			trans	-106.3	114.5	177.3	-60.2	-178.5	0	0	0	109.5	P394 L397 W415 P416 D417 D421 V424	P394-L419 HydrophobicContact CB-CD1 4.49Å; L397-L419 HydrophobicContact CD1-CD1 3.9Å; W415-L419 HydrophobicContact CZ2-CD1 4.27Å; P416-L419 HydrophobicContact CB-CG 4.43Å; P416-L419 HydrophobicContact CG-CD1 4.29Å; P416-L419 PolarHBondContact O-N 2.97Å; D417-L419 VanDerWaalsContact C-N 3.26Å; L419-D421 PolarHBondContact O-N 3.27Å; L419-V424 HydrophobicContact CD1-CG2 4.44Å
420	P	95.3	Very high	96.1	Very high	58 Å²	58	28.8 Å²	28.8	38%	0.377	17%	0.167	S	C	.	.	S	Bend	trans	-74.3	-8.4	-175.7	31.8	-37	0	0	0	113.7	I450 S451 W452	P420-I450 WeakPolarHBondContact O-CA 3.39Å; P420-I450 WeakPolarHBondContact O-CB 3.41Å; P420-S451 PolarHBondContact O-N 3.07Å; P420-W452 HydrophobicContact CB-CH2 3.85Å; P420-W452 HydrophobicContact CB-CZ2 4.04Å; P420-W452 HydrophobicContact CB-CZ3 4.36Å; P420-W452 HydrophobicContact CG-CH2 4.07Å; P420-W452 HydrophobicContact CG-CZ2 3.92Å; P420-W452 PolarHBondContact O-N 3.07Å
421	D	95.9	Very high	96.1	Very high	20 Å²	20	28.8 Å²	28.8	11%	0.107	17%	0.167	C	C	.	.	S	Bend	trans	-154.6	-173.9	-174.7	70.7	13.6	0	0	0	112.7	W415 L419 S423 W452	W415-D421 PolarHBondContact NE1-O 3.44Å; L419-D421 PolarHBondContact O-N 3.27Å; D421-S423 WeakPolarHBondContact OD1-CB 3.02Å; D421-S423 PolarHBondContact OD1-N 3.4Å; D421-S423 PolarHBondContact OD1-OG 3.14Å; D421-S423 VanDerWaalsContact OD1-OG 3.08Å; D421-S423 PolarHBondContact OD2-OG 3.41Å; D421-W452 WeakPolarHBondContact CA-O 3.44Å; D421-W452 VanDerWaalsContact CB-CD1 3.48Å; D421-W452 HydrophobicContact CB-CD2 4.45Å; D421-W452 HydrophobicContact CB-CG 4.17Å; D421-W452 VanDerWaalsContact CB-NE1 3.3Å; D421-W452 WeakPolarHBondContact CB-O 3.18Å; D421-W452 PolarHBondContact OD2-NE1 2.92Å
422	L	97	Very high	96	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	17%	0.166	C	C	.	.			trans	-101.2	31.9	175.1	-46.8	175.9	0	0	0	112.1	I412 W415 V424 F425 L445 I450 L453 L455	I412-L422 HydrophobicContact CD1-CD1 4.01Å; I412-L422 HydrophobicContact CD1-CD2 3.88Å; W415-L422 HydrophobicContact CD2-CD2 3.86Å; W415-L422 HydrophobicContact CE3-CD2 4.44Å; W415-L422 HydrophobicContact CG-CD2 4.13Å; W415-L422 HydrophobicContact CZ2-CD2 4Å; L422-V424 PolarHBondContact O-N 3.02Å; L422-F425 HydrophobicContact CB-CD2 4.49Å; L422-F425 PolarHBondContact O-N 3.27Å; L422-L445 HydrophobicContact CD1-CD1 3.81Å; L422-L445 HydrophobicContact CD1-CD2 3.67Å; L422-L445 HydrophobicContact CD1-CG 4.42Å; L422-I450 HydrophobicContact CD1-CD1 4.43Å; L422-I450 HydrophobicContact CD2-CD1 4.24Å; L422-I450 HydrophobicContact CD2-CG2 4.44Å; L422-I450 HydrophobicContact CG-CD1 4.13Å; L422-L453 VanDerWaalsContact CB-O 3.27Å; L422-L453 WeakPolarHBondContact CB-O 3.41Å; L422-L453 PolarHBondContact N-O 3.08Å; L422-L453 VanDerWaalsContact N-O 3.1Å; L422-L455 HydrophobicContact CB-CD2 3.89Å; L422-L455 HydrophobicContact CD1-CD1 4.47Å; L422-L455 HydrophobicContact CD1-CD2 4.38Å
423	S	94.2	Very high	95.7	Very high	31 Å²	31	28.9 Å²	28.9	22%	0.217	17%	0.167	C	C	.	.	G	3₁₀ helix	trans	-60.4	-12.6	-179.5	-78.7	0	0	0	0	114.2	D421 F425 Q426	D421-S423 WeakPolarHBondContact OD1-CB 3.02Å; D421-S423 PolarHBondContact OD1-N 3.4Å; D421-S423 PolarHBondContact OD1-OG 3.14Å; D421-S423 VanDerWaalsContact OD1-OG 3.08Å; D421-S423 PolarHBondContact OD2-OG 3.41Å; S423-F425 PolarHBondContact O-N 3.21Å; S423-Q426 WeakPolarHBondContact O-CB 3.05Å; S423-Q426 WeakPolarHBondContact O-CG 3.48Å; S423-Q426 PolarHBondContact O-N 3.3Å
424	V	95.7	Very high	95.4	Very high	5 Å²	5	28.4 Å²	28.4	3%	0.03	16%	0.162	C	C	.	.	G	3₁₀ helix	trans	-48.8	-38.3	161.6	165.8	0	0	0	0	112.1	L397 F400 W415 L419 L422	L397-V424 HydrophobicContact CB-CG1 4.1Å; L397-V424 HydrophobicContact CB-CG2 3.77Å; L397-V424 WeakPolarHBondContact O-CG1 3.26Å; F400-V424 CarbonylContact C-O 3.54Å; F400-V424 HydrophobicContact CB-CG1 3.82Å; F400-V424 HydrophobicContact CD2-CG1 4.24Å; W415-V424 HydrophobicContact CH2-CB 4.03Å; W415-V424 HydrophobicContact CH2-CG1 4.13Å; W415-V424 HydrophobicContact CH2-CG2 4.13Å; W415-V424 HydrophobicContact CZ2-CB 3.94Å; W415-V424 HydrophobicContact CZ2-CG2 3.8Å; L419-V424 HydrophobicContact CD1-CG2 4.44Å; L422-V424 PolarHBondContact O-N 3.02Å
425	F	97.5	Very high	95.1	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	17%	0.169	C	C	.	.	G	3₁₀ helix	trans	-101.3	22.3	178.6	-59.2	-68.4	0	0	0	112.8	L374 F376 F400 L403 L410 I412 W415 L422 S423 N427 L428 L455	L374-F425 HydrophobicContact CD1-CE1 4.01Å; L374-F425 HydrophobicContact CD1-CZ 4.39Å; F376-F425 HydrophobicContact CE2-CE2 4.19Å; F376-F425 AromaticContact CE2-CZ 3.7Å; F376-F425 HydrophobicContact CE2-CZ 3.7Å; F376-F425 AromaticContact CZ-CZ 3.86Å; F376-F425 HydrophobicContact CZ-CZ 3.86Å; F400-F425 HydrophobicContact CB-CD1 3.94Å; F400-F425 HydrophobicContact CB-CE1 3.54Å; F400-F425 HydrophobicContact CB-CZ 4.32Å; F400-F425 HydrophobicContact CD1-CE1 4.08Å; F400-F425 HydrophobicContact CD2-CE1 4.05Å; F400-F425 HydrophobicContact CD2-CZ 4.1Å; F400-F425 AromaticContact CG-CE1 3.63Å; F400-F425 HydrophobicContact CG-CE1 3.63Å; F400-F425 HydrophobicContact CG-CZ 4.16Å; L403-F425 HydrophobicContact CD2-CD1 4.26Å; L403-F425 HydrophobicContact CD2-CE1 4.16Å; L410-F425 HydrophobicContact CD1-CE2 4.28Å; L410-F425 HydrophobicContact CD1-CZ 4.2Å; L410-F425 HydrophobicContact CD2-CD2 4.35Å; L410-F425 HydrophobicContact CD2-CE2 4.49Å; I412-F425 HydrophobicContact CD1-CE2 4.26Å; W415-F425 HydrophobicContact CH2-CD2 4.33Å; W415-F425 AromaticContact CH2-CE2 3.72Å; W415-F425 HydrophobicContact CH2-CE2 3.72Å; W415-F425 HydrophobicContact CZ3-CE2 4.14Å; L422-F425 HydrophobicContact CB-CD2 4.49Å; L422-F425 PolarHBondContact O-N 3.27Å; S423-F425 PolarHBondContact O-N 3.21Å; F425-N427 PolarHBondContact O-N 3.42Å; F425-L428 HydrophobicContact CB-CB 4.12Å; F425-L428 HydrophobicContact CB-CD2 4.26Å; F425-L428 WeakPolarHBondContact O-CB 3.24Å; F425-L428 PolarHBondContact O-N 3.2Å; F425-L455 HydrophobicContact CB-CD2 3.7Å
426	Q	95.3	Very high	94.8	Very high	31 Å²	31	30.7 Å²	30.7	15%	0.145	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.9	-25.2	-178.1	62.3	179.7	-46.1	0	0	114.8	E401 S423 R456 S457	E401-Q426 PolarHBondContact OE1-NE2 3.32Å; S423-Q426 WeakPolarHBondContact O-CB 3.05Å; S423-Q426 WeakPolarHBondContact O-CG 3.48Å; S423-Q426 PolarHBondContact O-N 3.3Å; Q426-R456 HydrophobicContact CB-CG 4.27Å; Q426-R456 WeakPolarHBondContact O-CG 3.16Å; Q426-S457 WeakPolarHBondContact O-CB 3.5Å; Q426-S457 PolarHBondContact O-N 3.36Å; Q426-S457 PolarHBondContact O-OG 2.76Å
427	N	96.8	Very high	94.6	Very high	46 Å²	46	31.1 Å²	31.1	25%	0.246	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99	-1.7	-178.5	-65.1	-39.4	0	0	0	113.4	E401 L403 F425 Q429	E401-N427 WeakPolarHBondContact O-CB 3.43Å; E401-N427 PolarHBondContact O-ND2 2.94Å; L403-N427 CarbonylContact O-C 3.36Å; F425-N427 PolarHBondContact O-N 3.42Å; N427-Q429 PolarHBondContact O-N 2.77Å
428	L	98	Very high	94.4	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	14%	0.142	C	C	.	.			trans	-67.1	113.2	177.9	179.2	61.3	0	0	0	109.4	L403 I406 L410 F425 I431 S457 L458	L403-L428 HydrophobicContact CG-CD1 4.32Å; L403-L428 WeakPolarHBondContact O-CA 3.3Å; L403-L428 PolarHBondContact O-N 2.72Å; L403-L428 VanDerWaalsContact O-N 3.16Å; I406-L428 HydrophobicContact CD1-CD1 3.94Å; I406-L428 HydrophobicContact CD1-CD2 3.91Å; I406-L428 HydrophobicContact CG1-CD1 3.86Å; L410-L428 HydrophobicContact CD2-CD2 4.18Å; F425-L428 HydrophobicContact CB-CB 4.12Å; F425-L428 HydrophobicContact CB-CD2 4.26Å; F425-L428 WeakPolarHBondContact O-CB 3.24Å; F425-L428 PolarHBondContact O-N 3.2Å; L428-I431 HydrophobicContact CD1-CG1 4.47Å; L428-I431 HydrophobicContact CD2-CD1 4.03Å; L428-I431 HydrophobicContact CD2-CG1 3.92Å; L428-I431 HydrophobicContact CG-CG1 4.37Å; L428-S457 CarbonylContact O-C 3.6Å; L428-S457 VanDerWaalsContact O-C 3.3Å; L428-L458 WeakPolarHBondContact O-CA 3.41Å; L428-L458 PolarHBondContact O-N 3.27Å; L428-L458 VanDerWaalsContact O-N 3.09Å
429	Q	97.4	Very high	93.9	Very high	41 Å²	41	21.8 Å²	21.8	19%	0.192	12%	0.119	C	C	.	.			trans	-96.2	-34.5	-175.1	-71.3	159.3	61.9	0	0	112.5	E404 N427 S457 R459 E460	E404-Q429 VanDerWaalsContact CG-NE2 3.31Å; E404-Q429 WeakPolarHBondContact O-CB 3.27Å; E404-Q429 PolarHBondContact O-N 2.79Å; E404-Q429 PolarHBondContact OE2-NE2 3.16Å; N427-Q429 PolarHBondContact O-N 2.77Å; Q429-S457 WeakPolarHBondContact CA-O 3.39Å; Q429-R459 WeakPolarHBondContact O-CG 3.38Å; Q429-R459 PolarHBondContact O-N 3.28Å; Q429-E460 PolarHBondContact O-N 2.73Å
430	V	96.1	Very high	93.7	Very high	2 Å²	2	20 Å²	20	1%	0.012	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	130.9	-173.9	-173.8	0	0	0	0	111.7	E404 E405 I406 R432 E460	E404-V430 PolarHBondContact O-N 2.91Å; E405-V430 WeakPolarHBondContact CA-O 3.12Å; E405-V430 HydrophobicContact CG-CB 4.25Å; I406-V430 PolarHBondContact N-O 3.15Å; V430-R432 HydrophobicContact CG1-CG 4.22Å; V430-E460 WeakPolarHBondContact CA-O 3.48Å; V430-E460 HydrophobicContact CB-CB 4.33Å; V430-E460 HydrophobicContact CG1-CB 3.91Å; V430-E460 HydrophobicContact CG1-CG 3.88Å; V430-E460 HydrophobicContact CG2-CB 4.03Å
431	I	97.7	Very high	93.6	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	113.2	158.8	-53.3	175.4	0	0	0	106.8	I406 G408 L410 L428 L443 L458 E460 L461 G462	I406-I431 HydrophobicContact CB-CG2 4.46Å; I406-I431 HydrophobicContact CG2-CG2 4.48Å; G408-I431 VanDerWaalsContact O-CG2 3.31Å; G408-I431 WeakPolarHBondContact O-CG2 3.33Å; L410-I431 HydrophobicContact CB-CD1 3.89Å; L410-I431 HydrophobicContact CD2-CD1 4.33Å; L428-I431 HydrophobicContact CD1-CG1 4.47Å; L428-I431 HydrophobicContact CD2-CD1 4.03Å; L428-I431 HydrophobicContact CD2-CG1 3.92Å; L428-I431 HydrophobicContact CG-CG1 4.37Å; I431-L443 HydrophobicContact CD1-CD1 4.26Å; I431-L458 HydrophobicContact CG1-CD1 4.31Å; I431-E460 PolarHBondContact N-O 2.9Å; I431-L461 HydrophobicContact CB-CD2 3.79Å; I431-L461 HydrophobicContact CD1-CD2 3.96Å; I431-L461 HydrophobicContact CG1-CD2 4.14Å; I431-L461 CarbonylContact O-C 3.3Å; I431-L461 WeakPolarHBondContact O-CA 3.18Å; I431-G462 PolarHBondContact O-N 2.71Å
432	R	94.2	Very high	93.6	Very high	25 Å²	25	16.7 Å²	16.7	9%	0.094	9%	0.088	C	C	.	.			trans	-70.8	-36.2	-176.4	-61.1	-78.1	173.4	-149.6	-11	111.6	N302 E405 I406 T407 V430 R434 E460 G462 S463	N302-R432 PolarHBondContact ND2-O 2.7Å; N302-R432 WeakPolarHBondContact OD1-CB 3.35Å; N302-R432 WeakPolarHBondContact OD1-CD 3.15Å; N302-R432 PolarHBondContact OD1-O 2.58Å; E405-R432 HydrophobicContact CG-CG 4.22Å; E405-R432 IonicContact OE1-CZ 3.78Å; E405-R432 IonicContact OE1-NE 3.61Å; E405-R432 PolarHBondContact OE1-NE 3.34Å; E405-R432 IonicContact OE1-NH2 3.73Å; E405-R432 IonicContact OE2-CZ 3.53Å; E405-R432 IonicContact OE2-NE 2.72Å; E405-R432 PolarHBondContact OE2-NE 2.04Å; E405-R432 IonicContact OE2-NH2 3.63Å; E405-R432 PolarHBondContact OE2-NH2 2.76Å; I406-R432 PolarHBondContact O-N 3.44Å; T407-R432 WeakPolarHBondContact O-CB 3.46Å; V430-R432 HydrophobicContact CG1-CG 4.22Å; R432-R434 VanDerWaalsContact C-N 3.32Å; R432-R434 HydrophobicContact CB-CG 4.03Å; R432-R434 PolarHBondContact O-N 2.91Å; R432-E460 IonicContact CZ-OE1 2.75Å; R432-E460 IonicContact NH1-OE1 3.87Å; R432-E460 PolarHBondContact NH1-OE1 2.03Å; R432-G462 CarbonylContact O-C 3.54Å; R432-G462 WeakPolarHBondContact O-CA 3.05Å; R432-S463 PolarHBondContact O-N 3.15Å
433	G	92.9	Very high	93.7	Very high	2 Å²	2	16.7 Å²	16.7	2%	0.021	9%	0.088	C	C	.	.			trans	65.8	32.2	-177.5	0	0	0	0	0	113.5	T407 G408 I435 L436 S463	T407-G433 PolarHBondContact O-N 2.99Å; G408-G433 VanDerWaalsContact O-CA 3.27Å; G408-G433 WeakPolarHBondContact O-CA 3.42Å; G408-G433 PolarHBondContact O-N 2.84Å; G433-I435 VanDerWaalsContact C-N 3.3Å; G433-I435 CarbonylContact C-O 3.5Å; G433-L436 WeakPolarHBondContact O-CD2 3.44Å; G433-L436 WeakPolarHBondContact O-CG 3.28Å; G433-S463 WeakPolarHBondContact O-CB 3.05Å
434	R	89.6	Confident	93.8	Very high	15 Å²	15	15.2 Å²	15.2	6%	0.057	8%	0.078	C	C	.	.	S	Bend	trans	-74.8	-24.5	174.1	-62.3	-164.6	-148	129.4	3.6	112.5	N302 L313 E321 T407 R432	N302-R434 WeakPolarHBondContact O-CD 3.26Å; N302-R434 PolarHBondContact O-NE 3.38Å; L313-R434 HydrophobicContact CB-CB 4.25Å; L313-R434 HydrophobicContact CD2-CB 3.92Å; L313-R434 HydrophobicContact CD2-CG 4.07Å; L313-R434 WeakPolarHBondContact O-CD 3.17Å; L313-R434 PolarHBondContact O-NH1 3.47Å; E321-R434 VanDerWaalsContact CD-NH1 3.33Å; E321-R434 IonicContact OE1-CZ 2.79Å; E321-R434 IonicContact OE1-NH1 3.49Å; E321-R434 PolarHBondContact OE1-NH1 3.42Å; E321-R434 IonicContact OE1-NH2 3.85Å; E321-R434 IonicContact OE2-CZ 3.83Å; E321-R434 IonicContact OE2-NH1 2.63Å; E321-R434 PolarHBondContact OE2-NH1 3.13Å; E321-R434 IonicContact OE2-NH2 2.62Å; E321-R434 PolarHBondContact OE2-NH2 3.03Å; T407-R434 WeakPolarHBondContact O-CB 3.18Å; T407-R434 PolarHBondContact O-N 3.02Å; R432-R434 VanDerWaalsContact C-N 3.32Å; R432-R434 HydrophobicContact CB-CG 4.03Å; R432-R434 PolarHBondContact O-N 2.91Å
435	I	89.4	Confident	93.9	Very high	59 Å²	59	15 Å²	15	30%	0.303	8%	0.077	S	C	.	.	S	Bend	trans	-113.5	137.9	161.6	-56.3	167.8	0	0	0	105.5	M347 G408 Y409 G433	M347-I435 HydrophobicContact CG-CD1 4.47Å; M347-I435 HydrophobicContact SD-CD1 3.96Å; G408-I435 CarbonylContact C-O 3.1Å; G408-I435 VanDerWaalsContact C-O 3.24Å; G408-I435 WeakPolarHBondContact CA-O 3.22Å; Y409-I435 HydrophobicContact CD1-CG2 4.12Å; Y409-I435 HydrophobicContact CE1-CG2 4.08Å; Y409-I435 PolarHBondContact N-O 2.03Å; G433-I435 VanDerWaalsContact C-N 3.3Å; G433-I435 CarbonylContact C-O 3.5Å
436	L	91.1	Very high	93.8	Very high	22 Å²	22	17 Å²	17	12%	0.115	9%	0.086	C	C	.	.			trans	-125.8	137.7	-174.2	-64.9	177.6	0	0	0	111	T27 Y409 G433 N438 G439 Y441	T27-L436 HydrophobicContact CG2-CD1 4.16Å; Y409-L436 VanDerWaalsContact CD1-C 3.47Å; G433-L436 WeakPolarHBondContact O-CD2 3.44Å; G433-L436 WeakPolarHBondContact O-CG 3.28Å; L436-N438 PolarHBondContact O-N 2.96Å; L436-G439 VanDerWaalsContact CB-C 3.42Å; L436-G439 VanDerWaalsContact CD1-O 3.32Å; L436-G439 WeakPolarHBondContact CD1-O 3.1Å; L436-G439 PolarHBondContact O-N 2.79Å; L436-Y441 CarbonylContact C-O 3.16Å; L436-Y441 WeakPolarHBondContact CA-O 3.41Å
437	H	91.5	Very high	93.8	Very high	25 Å²	25	18.2 Å²	18.2	12%	0.116	11%	0.106	C	C	.	.	B	Isolated β-bridge	trans	-64.6	127.5	174.2	176.7	-114.9	0	0	0	109.5	Y409 Y411 G439 A440 Y441	Y409-H437 HydrophobicContact CD1-CB 4.12Å; Y409-H437 HydrophobicContact CD2-CB 3.79Å; Y409-H437 HydrophobicContact CE1-CB 4.2Å; Y409-H437 HydrophobicContact CE2-CB 3.9Å; Y409-H437 HydrophobicContact CG-CB 3.91Å; Y411-H437 HydrophobicContact CD2-CB 4.5Å; Y411-H437 AromaticContact CD2-CD2 3.93Å; Y411-H437 AromaticContact CD2-CE1 3.44Å; Y411-H437 VanDerWaalsContact CD2-CE1 3.44Å; Y411-H437 WeakPolarHBondContact CD2-CE1 3.48Å; Y411-H437 AromaticContact CD2-CG 3.68Å; Y411-H437 AromaticContact CD2-ND1 3.36Å; Y411-H437 WeakPolarHBondContact CD2-ND1 3.02Å; Y411-H437 AromaticContact CD2-NE2 3.82Å; Y411-H437 AromaticContact CE2-CE1 3.18Å; Y411-H437 WeakPolarHBondContact CE2-CE1 3.39Å; Y411-H437 AromaticContact CE2-ND1 3.54Å; Y411-H437 AromaticContact CE2-NE2 3.72Å; H437-G439 PolarHBondContact O-N 2.9Å; H437-G439 VanDerWaalsContact O-N 3.08Å; H437-A440 PolarHBondContact O-N 2.9Å; H437-Y441 PolarHBondContact N-O 3.03Å; H437-Y441 PolarHBondContact O-N 2.99Å
438	N	87.5	Confident	93.8	Very high	22 Å²	22	16.1 Å²	16.1	12%	0.118	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.2	24.1	-168.9	-66.6	-25.1	0	0	0	114.1	D30 M31 R34 L436 A440	D30-N438 CarbonylContact C-O 3.48Å; D30-N438 PolarHBondContact N-O 3.09Å; D30-N438 CarbonylContact O-C 3.2Å; D30-N438 WeakPolarHBondContact O-CA 3.32Å; M31-N438 HydrophobicContact CB-CB 4.14Å; M31-N438 PolarHBondContact N-O 3.42Å; R34-N438 PolarHBondContact NH1-OD1 2.85Å; R34-N438 PolarHBondContact NH2-OD1 3.32Å; L436-N438 PolarHBondContact O-N 2.96Å; N438-A440 PolarHBondContact O-N 3.34Å
439	G	84.7	Confident	93.5	Very high	13 Å²	13	17.4 Å²	17.4	13%	0.134	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.1	-4.3	-174.5	0	0	0	0	0	115.7	G28 L436 H437	G28-G439 VanDerWaalsContact O-O 3.13Å; L436-G439 VanDerWaalsContact CB-C 3.42Å; L436-G439 VanDerWaalsContact CD1-O 3.32Å; L436-G439 WeakPolarHBondContact CD1-O 3.1Å; L436-G439 PolarHBondContact O-N 2.79Å; H437-G439 PolarHBondContact O-N 2.9Å; H437-G439 VanDerWaalsContact O-N 3.08Å
440	A	89.3	Confident	93.5	Very high	2 Å²	2	15.6 Å²	15.6	2%	0.017	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116.4	-35.1	-172.3	0	0	0	0	0	114.8	M45 H437 N438 G464 L465	M45-A440 HydrophobicContact CE-CB 4.46Å; M45-A440 HydrophobicContact CG-CB 4.19Å; M45-A440 HydrophobicContact SD-CB 3.84Å; H437-A440 PolarHBondContact O-N 2.9Å; N438-A440 PolarHBondContact O-N 3.34Å; A440-G464 WeakPolarHBondContact O-CA 3.45Å; A440-L465 WeakPolarHBondContact O-CD1 3.44Å; A440-L465 PolarHBondContact O-N 3.17Å
441	Y	94.5	Very high	93.5	Very high	10 Å²	10	17.2 Å²	17.2	4%	0.039	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	132.2	-166.7	-55.2	-73	0	0	0	113.3	M45 L436 H437 T444 L465 L467 L494	M45-Y441 HydrophobicContact CG-CE1 4.22Å; L436-Y441 CarbonylContact C-O 3.16Å; L436-Y441 WeakPolarHBondContact CA-O 3.41Å; H437-Y441 PolarHBondContact N-O 3.03Å; H437-Y441 PolarHBondContact O-N 2.99Å; Y441-T444 VanDerWaalsContact CB-OG1 3.27Å; Y441-T444 WeakPolarHBondContact CB-OG1 3.42Å; Y441-L465 VanDerWaalsContact CA-O 3.31Å; Y441-L465 WeakPolarHBondContact CA-O 3.46Å; Y441-L465 HydrophobicContact CD1-CB 3.82Å; Y441-L465 HydrophobicContact CE1-CB 4.05Å; Y441-L467 HydrophobicContact CD1-CB 3.67Å; Y441-L467 HydrophobicContact CE1-CB 3.72Å; Y441-L467 HydrophobicContact CE1-CD2 4.15Å; Y441-L467 HydrophobicContact CE1-CG 4.44Å; Y441-L467 HydrophobicContact CE2-CD2 4.12Å; Y441-L467 HydrophobicContact CG-CB 4.28Å; Y441-L494 HydrophobicContact CE1-CD1 4.09Å
442	S	96.3	Very high	93.5	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	-26.8	173.2	50.9	0	0	0	0	112.7	Y409 L410 S463 G464 L465	Y409-S442 CarbonylContact C-O 3.45Å; Y409-S442 VanDerWaalsContact CA-O 3.28Å; Y409-S442 WeakPolarHBondContact CA-O 3.43Å; Y409-S442 WeakPolarHBondContact CB-O 3.3Å; L410-S442 PolarHBondContact N-O 2.9Å; S442-S463 WeakPolarHBondContact CB-O 3.25Å; S442-S463 PolarHBondContact OG-O 2.82Å; S442-G464 PolarHBondContact OG-O 3.27Å; S442-L465 PolarHBondContact N-O 2.83Å
443	L	97.8	Very high	93.6	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	132	169.1	-179.8	62.3	0	0	0	108.9	L410 I431 L445 A466 L467 W482	L410-L443 HydrophobicContact CB-CD1 4.14Å; L410-L443 HydrophobicContact CD2-CD1 4.03Å; L410-L443 HydrophobicContact CG-CD1 4.2Å; L410-L443 CarbonylContact O-C 3.53Å; L410-L443 WeakPolarHBondContact O-CA 3.03Å; I431-L443 HydrophobicContact CD1-CD1 4.26Å; L443-L445 HydrophobicContact CD1-CD2 4.14Å; L443-L445 HydrophobicContact CD1-CG 4.16Å; L443-L445 HydrophobicContact CG-CG 4.39Å; L443-A466 HydrophobicContact CB-CB 4.31Å; L443-A466 WeakPolarHBondContact O-CA 3.07Å; L443-L467 PolarHBondContact O-N 2.84Å; L443-W482 HydrophobicContact CD2-CH2 4.04Å; L443-W482 HydrophobicContact CD2-CZ3 4.05Å
444	T	97.5	Very high	93.7	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	125.1	170.8	-55.7	0	0	0	0	110.8	L410 Y411 I412 Y441 L467	L410-T444 PolarHBondContact O-N 3.05Å; Y411-T444 HydrophobicContact CD2-CG2 3.75Å; Y411-T444 HydrophobicContact CE2-CG2 3.61Å; I412-T444 PolarHBondContact N-O 2.87Å; Y441-T444 VanDerWaalsContact CB-OG1 3.27Å; Y441-T444 WeakPolarHBondContact CB-OG1 3.42Å; T444-L467 CarbonylContact C-O 3.56Å; T444-L467 VanDerWaalsContact CA-O 3.24Å; T444-L467 WeakPolarHBondContact CA-O 3.03Å; T444-L467 HydrophobicContact CG2-CB 4.15Å; T444-L467 HydrophobicContact CG2-CD2 4.02Å; T444-L467 HydrophobicContact CG2-CG 4.17Å
445	L	97.3	Very high	94.1	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	112.3	179.9	-56.6	177.9	0	0	0	108.6	I412 L422 L443 L448 L453 L467 I468 H469 N471	I412-L445 HydrophobicContact CB-CD2 3.79Å; I412-L445 HydrophobicContact CD1-CD2 3.72Å; I412-L445 HydrophobicContact CG1-CD2 3.79Å; L422-L445 HydrophobicContact CD1-CD1 3.81Å; L422-L445 HydrophobicContact CD1-CD2 3.67Å; L422-L445 HydrophobicContact CD1-CG 4.42Å; L443-L445 HydrophobicContact CD1-CD2 4.14Å; L443-L445 HydrophobicContact CD1-CG 4.16Å; L443-L445 HydrophobicContact CG-CG 4.39Å; L445-L448 HydrophobicContact CB-CD1 4.14Å; L445-L448 HydrophobicContact CD2-CD1 4.25Å; L445-L453 HydrophobicContact CD1-CD2 3.45Å; L445-L453 VanDerWaalsContact CD1-CD2 3.45Å; L445-L467 PolarHBondContact N-O 2.84Å; L445-I468 HydrophobicContact CB-CG1 4.35Å; L445-I468 HydrophobicContact CB-CG2 4.44Å; L445-I468 HydrophobicContact CD1-CD1 4.15Å; L445-I468 HydrophobicContact CD1-CG1 4.25Å; L445-I468 HydrophobicContact CG-CG1 4.48Å; L445-I468 WeakPolarHBondContact O-CA 3.43Å; L445-H469 PolarHBondContact O-N 3.37Å; L445-N471 PolarHBondContact O-ND2 2.73Å
446	Q	95.5	Very high	94.3	Very high	43 Å²	43	17.7 Å²	17.7	20%	0.201	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	135.9	-172.6	62.9	170	98.8	0	0	114.3	Y411 I412 S413 L448 H469	Y411-Q446 PolarHBondContact OH-OE1 2.89Å; I412-Q446 PolarHBondContact O-N 2.88Å; S413-Q446 WeakPolarHBondContact CA-O 3.47Å; Q446-L448 VanDerWaalsContact C-N 3.29Å; Q446-L448 VanDerWaalsContact O-CD2 3.27Å; Q446-L448 WeakPolarHBondContact O-CD2 3.32Å; Q446-L448 PolarHBondContact O-N 3.11Å; Q446-H469 VanDerWaalsContact CA-O 3.29Å; Q446-H469 WeakPolarHBondContact CA-O 3.4Å; Q446-H469 VanDerWaalsContact CB-NE2 3.28Å; Q446-H469 WeakPolarHBondContact CB-NE2 3.48Å
447	G	94.5	Very high	94.6	Very high	55 Å²	55	17.9 Å²	17.9	57%	0.567	11%	0.112	S	C	*	.	S	Bend	trans	69.3	20.7	174.1	0	0	0	0	0	115.2	H469 H470 N471	G447-H469 PolarHBondContact N-O 2.86Å; G447-H470 WeakPolarHBondContact CA-O 3.34Å; G447-N471 PolarHBondContact N-OD1 3.45Å
448	L	96.3	Very high	94.9	Very high	3 Å²	3	17 Å²	17	2%	0.016	11%	0.108	C	C	.	.			trans	-94.2	140.5	-171.3	-48.1	-177.5	0	0	0	112.3	I412 W415 L445 Q446 I450 N471	I412-L448 HydrophobicContact CB-CD1 4.05Å; I412-L448 HydrophobicContact CG2-CD1 3.65Å; I412-L448 HydrophobicContact CG2-CD2 3.86Å; I412-L448 HydrophobicContact CG2-CG 4.42Å; W415-L448 HydrophobicContact CB-CD2 4.05Å; L445-L448 HydrophobicContact CB-CD1 4.14Å; L445-L448 HydrophobicContact CD2-CD1 4.25Å; Q446-L448 VanDerWaalsContact C-N 3.29Å; Q446-L448 VanDerWaalsContact O-CD2 3.27Å; Q446-L448 WeakPolarHBondContact O-CD2 3.32Å; Q446-L448 PolarHBondContact O-N 3.11Å; L448-I450 HydrophobicContact CB-CD1 4.41Å; L448-I450 HydrophobicContact CB-CG1 3.93Å; L448-I450 HydrophobicContact CD1-CD1 4.13Å; L448-I450 PolarHBondContact O-N 3.32Å; L448-N471 VanDerWaalsContact CB-OD1 3.32Å; L448-N471 WeakPolarHBondContact CB-OD1 2.99Å; L448-N471 WeakPolarHBondContact CG-OD1 3.02Å; L448-N471 PolarHBondContact N-OD1 2.91Å; L448-N471 WeakPolarHBondContact O-CA 3.42Å
449	G	92.8	Very high	95.2	Very high	27 Å²	27	22.2 Å²	22.2	28%	0.278	13%	0.126	S	C	.	.			trans	-75	0.5	175.7	0	0	0	0	0	115.7
450	I	96.8	Very high	95.8	Very high	2 Å²	2	22.9 Å²	22.9	1%	0.01	13%	0.126	C	C	.	.			trans	-61.4	149.2	-176.6	59.9	171.9	0	0	0	113.1	P420 L422 L448 L453 H473 L474	P420-I450 WeakPolarHBondContact O-CA 3.39Å; P420-I450 WeakPolarHBondContact O-CB 3.41Å; L422-I450 HydrophobicContact CD1-CD1 4.43Å; L422-I450 HydrophobicContact CD2-CD1 4.24Å; L422-I450 HydrophobicContact CD2-CG2 4.44Å; L422-I450 HydrophobicContact CG-CD1 4.13Å; L448-I450 HydrophobicContact CB-CD1 4.41Å; L448-I450 HydrophobicContact CB-CG1 3.93Å; L448-I450 HydrophobicContact CD1-CD1 4.13Å; L448-I450 PolarHBondContact O-N 3.32Å; I450-L453 HydrophobicContact CD1-CD2 4.24Å; I450-H473 CarbonylContact O-C 3.34Å; I450-L474 HydrophobicContact CD1-CD1 4.15Å; I450-L474 HydrophobicContact CG1-CD1 4.16Å; I450-L474 VanDerWaalsContact O-CA 3.32Å; I450-L474 WeakPolarHBondContact O-CA 3.32Å; I450-L474 PolarHBondContact O-N 3.12Å
451	S	96.4	Very high	96.1	Very high	37 Å²	37	22.8 Å²	22.8	26%	0.259	13%	0.125	S	C	.	.	S	Bend	trans	-99.5	-25.3	-179.2	-63.5	0	0	0	0	113.7	P420 H473 C475	P420-S451 PolarHBondContact O-N 3.07Å; S451-H473 WeakPolarHBondContact CA-O 3.34Å; S451-C475 PolarHBondContact O-N 2.86Å
452	W	97.3	Very high	95.9	Very high	54 Å²	54	22.4 Å²	22.4	21%	0.205	12%	0.124	C	C	.	.			trans	-151.1	171.9	172	58.8	86.3	0	0	0	110.5	P420 D421 F476 P523	P420-W452 HydrophobicContact CB-CH2 3.85Å; P420-W452 HydrophobicContact CB-CZ2 4.04Å; P420-W452 HydrophobicContact CB-CZ3 4.36Å; P420-W452 HydrophobicContact CG-CH2 4.07Å; P420-W452 HydrophobicContact CG-CZ2 3.92Å; P420-W452 PolarHBondContact O-N 3.07Å; D421-W452 WeakPolarHBondContact CA-O 3.44Å; D421-W452 VanDerWaalsContact CB-CD1 3.48Å; D421-W452 HydrophobicContact CB-CD2 4.45Å; D421-W452 HydrophobicContact CB-CG 4.17Å; D421-W452 VanDerWaalsContact CB-NE1 3.3Å; D421-W452 WeakPolarHBondContact CB-O 3.18Å; D421-W452 PolarHBondContact OD2-NE1 2.92Å; W452-F476 HydrophobicContact CB-CB 4.45Å; W452-F476 HydrophobicContact CB-CD2 3.66Å; W452-F476 HydrophobicContact CB-CE2 4.28Å; W452-F476 HydrophobicContact CB-CG 4.34Å; W452-P523 HydrophobicContact CD2-CG 3.94Å; W452-P523 HydrophobicContact CE3-CG 3.9Å; W452-P523 HydrophobicContact CH2-CG 4.23Å; W452-P523 HydrophobicContact CZ2-CG 4.25Å; W452-P523 HydrophobicContact CZ3-CG 4.05Å
453	L	97	Very high	95.7	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	13%	0.131	C	C	.	.			trans	-83.5	-44.7	-173.8	-66.3	-178.5	0	0	0	113.3	L422 L445 I450 L455 I468 L474 V480 W482 W521	L422-L453 VanDerWaalsContact CB-O 3.27Å; L422-L453 WeakPolarHBondContact CB-O 3.41Å; L422-L453 PolarHBondContact N-O 3.08Å; L422-L453 VanDerWaalsContact N-O 3.1Å; L445-L453 HydrophobicContact CD1-CD2 3.45Å; L445-L453 VanDerWaalsContact CD1-CD2 3.45Å; I450-L453 HydrophobicContact CD1-CD2 4.24Å; L453-L455 HydrophobicContact CB-CG 4.48Å; L453-L455 PolarHBondContact O-N 2.83Å; L453-I468 HydrophobicContact CD1-CD1 4.12Å; L453-L474 HydrophobicContact CD2-CD1 3.92Å; L453-L474 HydrophobicContact CD2-CD2 4.04Å; L453-L474 HydrophobicContact CG-CD1 4.21Å; L453-V480 HydrophobicContact CD1-CG2 4.47Å; L453-W482 HydrophobicContact CD1-CH2 4.19Å; L453-W482 HydrophobicContact CD1-CZ2 3.94Å; L453-W521 HydrophobicContact CB-CE3 3.97Å; L453-W521 HydrophobicContact CD1-CE3 3.99Å; L453-W521 HydrophobicContact CD1-CZ3 3.92Å; L453-W521 PolarHBondContact N-O 2.89Å
454	G	95.7	Very high	95.3	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	13%	0.133	C	C	.	.			trans	73.3	3.4	177.9	0	0	0	0	0	116.1	R456 W521	G454-R456 PolarHBondContact O-N 3.3Å; G454-W521 PolarHBondContact N-O 2.87Å
455	L	96.9	Very high	95.1	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	13%	0.134	C	C	.	.			trans	-76.4	47.1	-177.1	-57.9	179	0	0	0	113.3	L422 F425 L453 S457 L458 W521	L422-L455 HydrophobicContact CB-CD2 3.89Å; L422-L455 HydrophobicContact CD1-CD1 4.47Å; L422-L455 HydrophobicContact CD1-CD2 4.38Å; F425-L455 HydrophobicContact CB-CD2 3.7Å; L453-L455 HydrophobicContact CB-CG 4.48Å; L453-L455 PolarHBondContact O-N 2.83Å; L455-S457 VanDerWaalsContact C-N 3.26Å; L455-S457 PolarHBondContact O-N 2.86Å; L455-L458 HydrophobicContact CB-CB 4.17Å; L455-L458 HydrophobicContact CB-CD2 4.35Å; L455-L458 HydrophobicContact CD1-CD2 4.02Å; L455-L458 VanDerWaalsContact O-CB 3.26Å; L455-L458 WeakPolarHBondContact O-CB 3.3Å; L455-L458 PolarHBondContact O-N 2.92Å; L455-W521 HydrophobicContact CB-CD2 4.29Å; L455-W521 HydrophobicContact CB-CE3 3.9Å; L455-W521 HydrophobicContact CB-CH2 4.41Å; L455-W521 HydrophobicContact CB-CZ3 3.98Å; L455-W521 HydrophobicContact CD1-CZ3 4.42Å
456	R	94.7	Very high	95.1	Very high	57 Å²	57	23.8 Å²	23.8	22%	0.215	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.6	-31.2	-164.9	59.6	178.9	176.9	165.4	-3.2	116.4	Q426 G454 T526	Q426-R456 HydrophobicContact CB-CG 4.27Å; Q426-R456 WeakPolarHBondContact O-CG 3.16Å; G454-R456 PolarHBondContact O-N 3.3Å; R456-T526 WeakPolarHBondContact CD-O 3.37Å
457	S	96.3	Very high	95.1	Very high	26 Å²	26	21.7 Å²	21.7	18%	0.182	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.2	-10.4	-179.7	-59.7	0	0	0	0	114.4	Q426 L428 Q429 L455 R459	Q426-S457 WeakPolarHBondContact O-CB 3.5Å; Q426-S457 PolarHBondContact O-N 3.36Å; Q426-S457 PolarHBondContact O-OG 2.76Å; L428-S457 CarbonylContact O-C 3.6Å; L428-S457 VanDerWaalsContact O-C 3.3Å; Q429-S457 WeakPolarHBondContact CA-O 3.39Å; L455-S457 VanDerWaalsContact C-N 3.26Å; L455-S457 PolarHBondContact O-N 2.86Å; S457-R459 PolarHBondContact O-N 3.18Å
458	L	97.3	Very high	95.2	Very high	5 Å²	5	19.1 Å²	19.1	3%	0.026	10%	0.097	C	C	.	.			trans	-69.8	116.2	-171.2	-175.9	60.7	0	0	0	110.6	L428 I431 L455 L461 L485 W521	L428-L458 WeakPolarHBondContact O-CA 3.41Å; L428-L458 PolarHBondContact O-N 3.27Å; L428-L458 VanDerWaalsContact O-N 3.09Å; I431-L458 HydrophobicContact CG1-CD1 4.31Å; L455-L458 HydrophobicContact CB-CB 4.17Å; L455-L458 HydrophobicContact CB-CD2 4.35Å; L455-L458 HydrophobicContact CD1-CD2 4.02Å; L455-L458 VanDerWaalsContact O-CB 3.26Å; L455-L458 WeakPolarHBondContact O-CB 3.3Å; L455-L458 PolarHBondContact O-N 2.92Å; L458-L461 HydrophobicContact CD1-CD2 4.36Å; L458-L461 HydrophobicContact CD2-CD2 4.29Å; L458-L485 VanDerWaalsContact O-CD2 3.3Å; L458-L485 WeakPolarHBondContact O-CD2 3.17Å; L458-W521 HydrophobicContact CB-CH2 4.09Å; L458-W521 HydrophobicContact CB-CZ2 3.88Å; L458-W521 HydrophobicContact CD2-CH2 3.84Å; L458-W521 HydrophobicContact CD2-CZ2 4.46Å; L458-W521 HydrophobicContact CG-CH2 4.24Å; L458-W521 HydrophobicContact CG-CZ2 4.39Å; L458-W521 WeakPolarHBondContact O-CZ2 3.42Å
459	R	95.2	Very high	95.2	Very high	133 Å²	133	19.1 Å²	19.1	50%	0.502	10%	0.097	S	C	.	.			trans	-119.5	-6.7	-176.5	59.1	163.6	179.6	-95.1	-6.6	114.2	Q429 S457 R487	Q429-R459 WeakPolarHBondContact O-CG 3.38Å; Q429-R459 PolarHBondContact O-N 3.28Å; S457-R459 PolarHBondContact O-N 3.18Å; R459-R487 PolarHBondContact O-NH2 2.64Å
460	E	95.5	Very high	95.3	Very high	27 Å²	27	22.1 Å²	22.1	13%	0.126	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.8	124.4	-168.7	-172.2	155.8	102.5	0	0	112.8	Y301 Q429 V430 I431 R432 L485 R487	Y301-E460 PolarHBondContact OH-OE1 3.4Å; Y301-E460 PolarHBondContact OH-OE2 3.4Å; Q429-E460 PolarHBondContact O-N 2.73Å; V430-E460 WeakPolarHBondContact CA-O 3.48Å; V430-E460 HydrophobicContact CB-CB 4.33Å; V430-E460 HydrophobicContact CG1-CB 3.91Å; V430-E460 HydrophobicContact CG1-CG 3.88Å; V430-E460 HydrophobicContact CG2-CB 4.03Å; I431-E460 PolarHBondContact N-O 2.9Å; R432-E460 IonicContact CZ-OE1 2.75Å; R432-E460 IonicContact NH1-OE1 3.87Å; R432-E460 PolarHBondContact NH1-OE1 2.03Å; E460-L485 WeakPolarHBondContact CA-O 3.27Å; E460-R487 HydrophobicContact CG-CG 4.2Å; E460-R487 IonicContact OE2-CZ 2.66Å; E460-R487 IonicContact OE2-NE 2.73Å; E460-R487 PolarHBondContact OE2-NE 3.21Å; E460-R487 IonicContact OE2-NH2 3.85Å; E460-R487 PolarHBondContact OE2-NH2 3.01Å
461	L	95.9	Very high	95.2	Very high	0 Å²	0	22 Å²	22	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	96	162.3	-64.7	-178.6	0	0	0	106.8	I431 L458 S463 A466 W482 L485 F486 Q491	I431-L461 HydrophobicContact CB-CD2 3.79Å; I431-L461 HydrophobicContact CD1-CD2 3.96Å; I431-L461 HydrophobicContact CG1-CD2 4.14Å; I431-L461 CarbonylContact O-C 3.3Å; I431-L461 WeakPolarHBondContact O-CA 3.18Å; L458-L461 HydrophobicContact CD1-CD2 4.36Å; L458-L461 HydrophobicContact CD2-CD2 4.29Å; L461-S463 VanDerWaalsContact C-N 3.28Å; L461-S463 PolarHBondContact O-N 3.25Å; L461-A466 HydrophobicContact CD1-CB 4.24Å; L461-W482 HydrophobicContact CD1-CE3 4.21Å; L461-W482 HydrophobicContact CD1-CZ3 4.02Å; L461-L485 HydrophobicContact CG-CB 4.35Å; L461-L485 PolarHBondContact N-O 2.94Å; L461-F486 HydrophobicContact CB-CD1 4.11Å; L461-F486 HydrophobicContact CB-CE1 4.41Å; L461-F486 HydrophobicContact CD1-CD1 4.19Å; L461-F486 HydrophobicContact CD1-CE1 3.7Å; L461-Q491 PolarHBondContact O-NE2 3.16Å; L461-Q491 PolarHBondContact O-OE1 3.27Å
462	G	91.7	Very high	95.1	Very high	1 Å²	1	24.4 Å²	24.4	1%	0.01	12%	0.116	C	C	.	.			trans	-66.9	-25.2	-166.6	0	0	0	0	0	115	Y301 I431 R432	Y301-G462 WeakPolarHBondContact CE1-O 3.49Å; I431-G462 PolarHBondContact O-N 2.71Å; R432-G462 CarbonylContact O-C 3.54Å; R432-G462 WeakPolarHBondContact O-CA 3.05Å
463	S	90.9	Very high	95.1	Very high	22 Å²	22	26.5 Å²	26.5	15%	0.154	13%	0.128	C	C	.	.	S	Bend	trans	-159.3	175.4	173.5	-169.9	0	0	0	0	109.8	R432 G433 S442 L461 Q491	R432-S463 PolarHBondContact O-N 3.15Å; G433-S463 WeakPolarHBondContact O-CB 3.05Å; S442-S463 WeakPolarHBondContact CB-O 3.25Å; S442-S463 PolarHBondContact OG-O 2.82Å; L461-S463 VanDerWaalsContact C-N 3.28Å; L461-S463 PolarHBondContact O-N 3.25Å; S463-Q491 PolarHBondContact O-NE2 3.09Å
464	G	90.2	Very high	95.1	Very high	4 Å²	4	26.6 Å²	26.6	4%	0.041	13%	0.129	C	C	.	.	S	Bend	trans	73.6	160	179.5	0	0	0	0	0	114.8	A440 S442 Q491	A440-G464 WeakPolarHBondContact O-CA 3.45Å; S442-G464 PolarHBondContact OG-O 3.27Å; G464-Q491 VanDerWaalsContact O-CG 3.31Å; G464-Q491 WeakPolarHBondContact O-CG 3.42Å; G464-Q491 PolarHBondContact O-NE2 3.17Å
465	L	93.3	Very high	95.1	Very high	3 Å²	3	26.6 Å²	26.6	2%	0.016	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	158.6	174	-65.3	88	0	0	0	110.7	M45 H48 A440 Y441 S442 A492 L494	M45-L465 HydrophobicContact CG-CD1 4.45Å; M45-L465 HydrophobicContact CG-CD2 4.17Å; H48-L465 HydrophobicContact CB-CD2 4.33Å; A440-L465 WeakPolarHBondContact O-CD1 3.44Å; A440-L465 PolarHBondContact O-N 3.17Å; Y441-L465 VanDerWaalsContact CA-O 3.31Å; Y441-L465 WeakPolarHBondContact CA-O 3.46Å; Y441-L465 HydrophobicContact CD1-CB 3.82Å; Y441-L465 HydrophobicContact CE1-CB 4.05Å; S442-L465 PolarHBondContact N-O 2.83Å; L465-A492 HydrophobicContact CD2-CB 4.29Å; L465-L494 HydrophobicContact CD2-CD1 3.95Å; L465-L494 HydrophobicContact CD2-CD2 4.5Å; L465-L494 HydrophobicContact CD2-CG 4.11Å
466	A	96.6	Very high	95.1	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	130.4	167.5	0	0	0	0	0	109.5	L443 L461 W482 F486 A492 L493 L494	L443-A466 HydrophobicContact CB-CB 4.31Å; L443-A466 WeakPolarHBondContact O-CA 3.07Å; L461-A466 HydrophobicContact CD1-CB 4.24Å; A466-W482 HydrophobicContact CB-CE3 4.22Å; A466-W482 HydrophobicContact CB-CZ3 3.98Å; A466-F486 HydrophobicContact CB-CE1 4.39Å; A466-F486 HydrophobicContact CB-CZ 4.34Å; A466-A492 PolarHBondContact N-O 3.44Å; A466-L493 HydrophobicContact CB-CD1 3.97Å; A466-L494 PolarHBondContact O-N 3.09Å
467	L	96.4	Very high	95.1	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	114.4	176.3	174.5	60.5	0	0	0	110.1	A37 Y441 L443 T444 L445 H469 L494	A37-L467 HydrophobicContact CB-CD2 4.05Å; Y441-L467 HydrophobicContact CD1-CB 3.67Å; Y441-L467 HydrophobicContact CE1-CB 3.72Å; Y441-L467 HydrophobicContact CE1-CD2 4.15Å; Y441-L467 HydrophobicContact CE1-CG 4.44Å; Y441-L467 HydrophobicContact CE2-CD2 4.12Å; Y441-L467 HydrophobicContact CG-CB 4.28Å; L443-L467 PolarHBondContact O-N 2.84Å; T444-L467 CarbonylContact C-O 3.56Å; T444-L467 VanDerWaalsContact CA-O 3.24Å; T444-L467 WeakPolarHBondContact CA-O 3.03Å; T444-L467 HydrophobicContact CG2-CB 4.15Å; T444-L467 HydrophobicContact CG2-CD2 4.02Å; T444-L467 HydrophobicContact CG2-CG 4.17Å; L445-L467 PolarHBondContact N-O 2.84Å; L467-H469 HydrophobicContact CD1-CB 4.26Å; L467-L494 WeakPolarHBondContact CA-O 3.45Å; L467-L494 HydrophobicContact CD1-CB 4.04Å
468	I	96.6	Very high	95	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	102.5	-179.8	-57.8	-176.7	0	0	0	108.1	L445 L453 L474 V477 W482 L493 L494 H495 N498	L445-I468 HydrophobicContact CB-CG1 4.35Å; L445-I468 HydrophobicContact CB-CG2 4.44Å; L445-I468 HydrophobicContact CD1-CD1 4.15Å; L445-I468 HydrophobicContact CD1-CG1 4.25Å; L445-I468 HydrophobicContact CG-CG1 4.48Å; L445-I468 WeakPolarHBondContact O-CA 3.43Å; L453-I468 HydrophobicContact CD1-CD1 4.12Å; I468-L474 HydrophobicContact CG2-CD2 3.46Å; I468-L474 VanDerWaalsContact CG2-CD2 3.46Å; I468-V477 HydrophobicContact CG2-CG2 4.38Å; I468-W482 HydrophobicContact CD1-CH2 3.55Å; I468-W482 HydrophobicContact CD1-CZ2 3.61Å; I468-L493 HydrophobicContact CB-CD1 4.41Å; I468-L493 HydrophobicContact CD1-CD1 3.98Å; I468-L493 HydrophobicContact CG1-CD1 4.05Å; I468-L494 PolarHBondContact N-O 2.85Å; I468-H495 WeakPolarHBondContact O-CA 3.42Å; I468-H495 WeakPolarHBondContact O-CB 3.14Å; I468-N498 PolarHBondContact O-ND2 2.8Å
469	H	94.9	Very high	94.9	Very high	4 Å²	4	28.3 Å²	28.3	2%	0.019	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	152.5	-172	73.7	130	0	0	0	115.6	A37 L445 Q446 G447 L467 N471 T496 N498	A37-H469 PolarHBondContact O-CE1 3.16Å; L445-H469 PolarHBondContact O-N 3.37Å; Q446-H469 VanDerWaalsContact CA-O 3.29Å; Q446-H469 WeakPolarHBondContact CA-O 3.4Å; Q446-H469 VanDerWaalsContact CB-NE2 3.28Å; Q446-H469 WeakPolarHBondContact CB-NE2 3.48Å; G447-H469 PolarHBondContact N-O 2.86Å; L467-H469 HydrophobicContact CD1-CB 4.26Å; H469-N471 VanDerWaalsContact C-N 3.27Å; H469-N471 PolarHBondContact N-ND2 2.65Å; H469-N471 PolarHBondContact O-N 3.46Å; H469-N471 PolarHBondContact O-ND2 3.45Å; H469-N471 VanDerWaalsContact O-ND2 3.11Å; H469-T496 CarbonylContact C-O 3.5Å; H469-T496 WeakPolarHBondContact CA-O 3.46Å; H469-T496 HydrophobicContact CB-CG2 3.73Å; H469-T496 VanDerWaalsContact CB-O 3.26Å; H469-T496 WeakPolarHBondContact CB-O 3.47Å; H469-N498 WeakPolarHBondContact CA-OD1 3.25Å
470	H	94.8	Very high	95	Very high	90 Å²	90	22.2 Å²	22.2	42%	0.417	12%	0.115	S	C	.	.			trans	58.2	30.6	-178.4	-60.4	93.1	0	0	0	114.8	G447 T496 A497	G447-H470 WeakPolarHBondContact CA-O 3.34Å; H470-T496 PolarHBondContact N-O 3.49Å; H470-A497 CarbonylContact C-O 3.59Å; H470-A497 VanDerWaalsContact CA-O 3.23Å; H470-A497 WeakPolarHBondContact CA-O 3.41Å; H470-A497 VanDerWaalsContact CD2-CB 3.44Å; H470-A497 WeakPolarHBondContact CD2-CB 3.46Å; H470-A497 PolarHBondContact N-O 3.16Å
471	N	95.9	Very high	95	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	11%	0.113	C	C	.	.			trans	-98.8	95.2	176.5	-51.3	-74.2	0	0	0	108.8	L445 G447 L448 H469 H473 L474 N498	L445-N471 PolarHBondContact O-ND2 2.73Å; G447-N471 PolarHBondContact N-OD1 3.45Å; L448-N471 VanDerWaalsContact CB-OD1 3.32Å; L448-N471 WeakPolarHBondContact CB-OD1 2.99Å; L448-N471 WeakPolarHBondContact CG-OD1 3.02Å; L448-N471 PolarHBondContact N-OD1 2.91Å; L448-N471 WeakPolarHBondContact O-CA 3.42Å; H469-N471 VanDerWaalsContact C-N 3.27Å; H469-N471 PolarHBondContact N-ND2 2.65Å; H469-N471 PolarHBondContact O-N 3.46Å; H469-N471 PolarHBondContact O-ND2 3.45Å; H469-N471 VanDerWaalsContact O-ND2 3.11Å; N471-H473 VanDerWaalsContact C-N 3.28Å; N471-H473 PolarHBondContact O-N 3.23Å; N471-H473 VanDerWaalsContact O-N 3.15Å; N471-L474 HydrophobicContact CB-CB 3.56Å; N471-L474 HydrophobicContact CB-CD2 3.73Å; N471-L474 HydrophobicContact CB-CG 4.3Å; N471-L474 WeakPolarHBondContact O-CB 3.45Å; N471-L474 PolarHBondContact O-N 2.83Å; N471-L474 VanDerWaalsContact O-N 3.16Å; N471-N498 WeakPolarHBondContact CB-OD1 3.47Å; N471-N498 PolarHBondContact N-OD1 2.69Å; N471-N498 PolarHBondContact ND2-OD1 2.9Å; N471-N498 WeakPolarHBondContact O-CA 3.44Å
472	T	94.3	Very high	94.9	Very high	87 Å²	87	22.2 Å²	22.2	53%	0.534	12%	0.116	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-27.5	-160.8	48.5	0	0	0	0	115.3
473	H	95.9	Very high	95	Very high	98 Å²	98	29.1 Å²	29.1	45%	0.454	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108.3	-2.7	-177.7	-55.9	-56.9	0	0	0	113.1	I450 S451 N471 C475	I450-H473 CarbonylContact O-C 3.34Å; S451-H473 WeakPolarHBondContact CA-O 3.34Å; N471-H473 VanDerWaalsContact C-N 3.28Å; N471-H473 PolarHBondContact O-N 3.23Å; N471-H473 VanDerWaalsContact O-N 3.15Å; H473-C475 PolarHBondContact O-N 2.76Å
474	L	97.2	Very high	95.2	Very high	1 Å²	1	32.6 Å²	32.6	1%	0.005	17%	0.166	C	C	.	.			trans	-75.2	110.1	-168.9	179.1	60.3	0	0	0	112.2	I450 L453 I468 N471 V477 R499	I450-L474 HydrophobicContact CD1-CD1 4.15Å; I450-L474 HydrophobicContact CG1-CD1 4.16Å; I450-L474 VanDerWaalsContact O-CA 3.32Å; I450-L474 WeakPolarHBondContact O-CA 3.32Å; I450-L474 PolarHBondContact O-N 3.12Å; L453-L474 HydrophobicContact CD2-CD1 3.92Å; L453-L474 HydrophobicContact CD2-CD2 4.04Å; L453-L474 HydrophobicContact CG-CD1 4.21Å; I468-L474 HydrophobicContact CG2-CD2 3.46Å; I468-L474 VanDerWaalsContact CG2-CD2 3.46Å; N471-L474 HydrophobicContact CB-CB 3.56Å; N471-L474 HydrophobicContact CB-CD2 3.73Å; N471-L474 HydrophobicContact CB-CG 4.3Å; N471-L474 WeakPolarHBondContact O-CB 3.45Å; N471-L474 PolarHBondContact O-N 2.83Å; N471-L474 VanDerWaalsContact O-N 3.16Å; L474-V477 HydrophobicContact CD2-CG2 3.83Å; L474-V477 HydrophobicContact CG-CG2 3.74Å; L474-R499 PolarHBondContact O-N 2.72Å
475	C	96.2	Very high	95.4	Very high	1 Å²	1	32.7 Å²	32.7	1%	0.007	17%	0.166	C	C	.	.			trans	-94.6	-175.7	167.3	-66.9	0	0	0	0	111	S451 H473 V477 C504 L509	S451-C475 PolarHBondContact O-N 2.86Å; H473-C475 PolarHBondContact O-N 2.76Å; C475-V477 VanDerWaalsContact C-N 3.25Å; C475-V477 PolarHBondContact O-N 2.76Å; C475-C504 WeakPolarHBondContact CA-SG 3.37Å; C475-C504 HydrophobicContact CB-CB 3.7Å; C475-C504 WeakPolarHBondContact CB-SG 3.13Å; C475-C504 WeakPolarHBondContact SG-CB 3.33Å; C475-C504 CovalentContact SG-SG 2.03Å; C475-C504 PolarHBondContact SG-SG 2.95Å; C475-L509 HydrophobicContact CB-CB 4.45Å; C475-L509 HydrophobicContact CB-CD1 4.5Å
476	F	96.4	Very high	95.5	Very high	1 Å²	1	33.6 Å²	33.6	0%	0.004	17%	0.169	C	C	.	.			trans	62.8	21.3	173.5	-56.5	-88.7	0	0	0	115.7	W452 T479 L509 C520 P523	W452-F476 HydrophobicContact CB-CB 4.45Å; W452-F476 HydrophobicContact CB-CD2 3.66Å; W452-F476 HydrophobicContact CB-CE2 4.28Å; W452-F476 HydrophobicContact CB-CG 4.34Å; F476-T479 VanDerWaalsContact CA-OG1 3.24Å; F476-T479 WeakPolarHBondContact CA-OG1 3.44Å; F476-T479 WeakPolarHBondContact CB-OG1 3.45Å; F476-T479 HydrophobicContact CD1-CG2 4.42Å; F476-T479 PolarHBondContact O-OG1 2.73Å; F476-T479 VanDerWaalsContact O-OG1 3.05Å; F476-L509 HydrophobicContact CE2-CB 3.97Å; F476-L509 HydrophobicContact CZ-CB 4.16Å; F476-C520 WeakPolarHBondContact CD1-SG 3.45Å; F476-P523 HydrophobicContact CZ-CB 4.11Å
477	V	95.6	Very high	95.1	Very high	3 Å²	3	38.2 Å²	38.2	2%	0.018	19%	0.187	C	C	.	.	S	Bend	trans	-76.7	-42.8	176.5	-176.4	0	0	0	0	111.1	I468 L474 C475 W482 L493	I468-V477 HydrophobicContact CG2-CG2 4.38Å; L474-V477 HydrophobicContact CD2-CG2 3.83Å; L474-V477 HydrophobicContact CG-CG2 3.74Å; C475-V477 VanDerWaalsContact C-N 3.25Å; C475-V477 PolarHBondContact O-N 2.76Å; V477-W482 PolarHBondContact O-NE1 3.37Å; V477-L493 HydrophobicContact CG1-CD2 3.92Å
478	H	94.1	Very high	94.3	Very high	101 Å²	101	40.4 Å²	40.4	47%	0.468	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-17.5	-179.3	-50	100.4	0	0	0	113.2	V480 H495 E501	H478-V480 VanDerWaalsContact C-N 3.28Å; H478-V480 PolarHBondContact O-N 2.7Å; H478-H495 AromaticContact CD2-CE1 3.77Å; H478-H495 AromaticContact NE2-CE1 3.17Å; H478-H495 PolarHBondContact NE2-CE1 3.09Å; H478-H495 AromaticContact NE2-ND1 3.62Å; H478-E501 IonicContact CE1-OE2 2.82Å; H478-E501 IonicContact CG-OE2 3.26Å; H478-E501 IonicContact ND1-OE2 3.91Å; H478-E501 PolarHBondContact ND1-OE2 2.83Å
479	T	95.5	Very high	93.4	Very high	19 Å²	19	46.1 Å²	46.1	12%	0.117	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-10.2	177.3	57.6	0	0	0	0	113.4	F476 C511 H519 C520	F476-T479 VanDerWaalsContact CA-OG1 3.24Å; F476-T479 WeakPolarHBondContact CA-OG1 3.44Å; F476-T479 WeakPolarHBondContact CB-OG1 3.45Å; F476-T479 HydrophobicContact CD1-CG2 4.42Å; F476-T479 PolarHBondContact O-OG1 2.73Å; F476-T479 VanDerWaalsContact O-OG1 3.05Å; T479-C511 VanDerWaalsContact CB-SG 3.53Å; T479-H519 WeakPolarHBondContact O-CA 3.41Å; T479-C520 CarbonylContact C-O 3.58Å; T479-C520 PolarHBondContact O-N 2.8Å; T479-C520 VanDerWaalsContact O-N 3.12Å; T479-C520 PolarHBondContact OG1-O 3.1Å
480	V	96.2	Very high	92.9	Very high	5 Å²	5	47.1 Å²	47.1	3%	0.03	24%	0.24	C	C	.	.	S	Bend	trans	-86.4	127.6	174.3	172	0	0	0	0	109.2	L453 H478 W482 L485 W521	L453-V480 HydrophobicContact CD1-CG2 4.47Å; H478-V480 VanDerWaalsContact C-N 3.28Å; H478-V480 PolarHBondContact O-N 2.7Å; V480-W482 VanDerWaalsContact C-N 3.3Å; V480-W482 HydrophobicContact CB-CZ2 4.05Å; V480-W482 HydrophobicContact CG1-CD2 3.85Å; V480-W482 HydrophobicContact CG1-CE3 4.42Å; V480-W482 HydrophobicContact CG1-CG 4.17Å; V480-W482 HydrophobicContact CG1-CH2 4.36Å; V480-W482 HydrophobicContact CG1-CZ2 3.8Å; V480-W482 PolarHBondContact O-N 2.83Å; V480-W482 PolarHBondContact O-NE1 2.75Å; V480-L485 HydrophobicContact CG1-CD1 3.83Å; V480-W521 HydrophobicContact CB-CE3 4.46Å; V480-W521 HydrophobicContact CB-CZ3 4.32Å; V480-W521 HydrophobicContact CG1-CE3 4.19Å; V480-W521 HydrophobicContact CG1-CH2 3.49Å; V480-W521 VanDerWaalsContact CG1-CH2 3.49Å; V480-W521 HydrophobicContact CG1-CZ2 3.89Å; V480-W521 HydrophobicContact CG1-CZ3 3.67Å; V480-W521 HydrophobicContact CG2-CD2 3.78Å; V480-W521 HydrophobicContact CG2-CE3 3.4Å; V480-W521 VanDerWaalsContact CG2-CE3 3.4Å; V480-W521 HydrophobicContact CG2-CG 4.4Å; V480-W521 HydrophobicContact CG2-CH2 4.28Å; V480-W521 HydrophobicContact CG2-CZ3 3.68Å
481	P	95.5	Very high	92.7	Very high	12 Å²	12	43.6 Å²	43.6	8%	0.078	22%	0.224	C	C	.	.			trans	-82.9	71.8	-178.4	33.9	-35.3	0	0	0	111.2	D483 Q484 H519 V529	P481-D483 PolarHBondContact O-N 2.7Å; P481-D483 VanDerWaalsContact O-N 3.12Å; P481-Q484 HydrophobicContact CB-CB 4.47Å; P481-Q484 HydrophobicContact CB-CG 4.32Å; P481-Q484 WeakPolarHBondContact O-CB 3.31Å; P481-Q484 PolarHBondContact O-N 3.12Å; P481-H519 HydrophobicContact CG-CB 4.34Å; P481-V529 HydrophobicContact CG-CG1 4.05Å; P481-V529 HydrophobicContact CG-CG2 4.3Å
482	W	95.4	Very high	92.6	Very high	15 Å²	15	44.2 Å²	44.2	6%	0.057	23%	0.229	C	C	.	.	H	α-helix	trans	-52	-36.8	-173.4	-64.4	94.5	0	0	0	114.2	L443 L453 L461 A466 I468 V477 V480 Q484 L485 F486 L493 W521	L443-W482 HydrophobicContact CD2-CH2 4.04Å; L443-W482 HydrophobicContact CD2-CZ3 4.05Å; L453-W482 HydrophobicContact CD1-CH2 4.19Å; L453-W482 HydrophobicContact CD1-CZ2 3.94Å; L461-W482 HydrophobicContact CD1-CE3 4.21Å; L461-W482 HydrophobicContact CD1-CZ3 4.02Å; A466-W482 HydrophobicContact CB-CE3 4.22Å; A466-W482 HydrophobicContact CB-CZ3 3.98Å; I468-W482 HydrophobicContact CD1-CH2 3.55Å; I468-W482 HydrophobicContact CD1-CZ2 3.61Å; V477-W482 PolarHBondContact O-NE1 3.37Å; V480-W482 VanDerWaalsContact C-N 3.3Å; V480-W482 HydrophobicContact CB-CZ2 4.05Å; V480-W482 HydrophobicContact CG1-CD2 3.85Å; V480-W482 HydrophobicContact CG1-CE3 4.42Å; V480-W482 HydrophobicContact CG1-CG 4.17Å; V480-W482 HydrophobicContact CG1-CH2 4.36Å; V480-W482 HydrophobicContact CG1-CZ2 3.8Å; V480-W482 PolarHBondContact O-N 2.83Å; V480-W482 PolarHBondContact O-NE1 2.75Å; W482-Q484 PolarHBondContact O-N 3.28Å; W482-Q484 VanDerWaalsContact O-N 3.11Å; W482-L485 HydrophobicContact CD2-CD1 4.42Å; W482-L485 HydrophobicContact CE3-CD1 3.88Å; W482-L485 HydrophobicContact CZ3-CD1 4.16Å; W482-L485 WeakPolarHBondContact O-CA 3.16Å; W482-L485 WeakPolarHBondContact O-CB 3.19Å; W482-L485 PolarHBondContact O-N 3.11Å; W482-F486 HydrophobicContact CB-CD2 4.4Å; W482-F486 HydrophobicContact CB-CE2 3.72Å; W482-F486 HydrophobicContact CB-CZ 4.1Å; W482-F486 HydrophobicContact CE3-CZ 4.27Å; W482-F486 VanDerWaalsContact O-CD2 3.23Å; W482-F486 WeakPolarHBondContact O-CD2 3.19Å; W482-F486 WeakPolarHBondContact O-CG 3.16Å; W482-F486 PolarHBondContact O-N 2.7Å; W482-L493 HydrophobicContact CD2-CB 4.39Å; W482-L493 HydrophobicContact CD2-CD1 4.16Å; W482-L493 HydrophobicContact CD2-CD2 4.44Å; W482-L493 HydrophobicContact CE3-CD1 4.43Å; W482-L493 HydrophobicContact CG-CB 4.19Å; W482-L493 HydrophobicContact CG-CD2 4.28Å; W482-L493 HydrophobicContact CH2-CD1 4.49Å; W482-L493 HydrophobicContact CZ2-CD1 4.18Å; W482-W521 HydrophobicContact CH2-CZ3 4.27Å
483	D	93.4	Very high	92.6	Very high	146 Å²	146	41.6 Å²	41.6	78%	0.781	21%	0.211	S	C	*	.	H	α-helix	trans	-59.3	-23.2	176.2	-50.8	-64.3	0	0	0	114	P481	P481-D483 PolarHBondContact O-N 2.7Å; P481-D483 VanDerWaalsContact O-N 3.12Å
484	Q	93.9	Very high	92.5	Very high	95 Å²	95	37.4 Å²	37.4	44%	0.444	19%	0.192	S	C	.	.	H	α-helix	trans	-88.2	-14.9	176.5	-62.9	169.8	42.1	0	0	112.4	P481 W482 R487	P481-Q484 HydrophobicContact CB-CB 4.47Å; P481-Q484 HydrophobicContact CB-CG 4.32Å; P481-Q484 WeakPolarHBondContact O-CB 3.31Å; P481-Q484 PolarHBondContact O-N 3.12Å; W482-Q484 PolarHBondContact O-N 3.28Å; W482-Q484 VanDerWaalsContact O-N 3.11Å; Q484-R487 PolarHBondContact O-NH1 3.08Å
485	L	95.3	Very high	92.4	Very high	6 Å²	6	41.1 Å²	41.1	3%	0.031	21%	0.209	C	C	.	.	H	α-helix	trans	-88.5	-37.7	174.8	-53.5	179.4	0	0	0	111.2	L458 E460 L461 V480 W482 R487 W521	L458-L485 VanDerWaalsContact O-CD2 3.3Å; L458-L485 WeakPolarHBondContact O-CD2 3.17Å; E460-L485 WeakPolarHBondContact CA-O 3.27Å; L461-L485 HydrophobicContact CG-CB 4.35Å; L461-L485 PolarHBondContact N-O 2.94Å; V480-L485 HydrophobicContact CG1-CD1 3.83Å; W482-L485 HydrophobicContact CD2-CD1 4.42Å; W482-L485 HydrophobicContact CE3-CD1 3.88Å; W482-L485 HydrophobicContact CZ3-CD1 4.16Å; W482-L485 WeakPolarHBondContact O-CA 3.16Å; W482-L485 WeakPolarHBondContact O-CB 3.19Å; W482-L485 PolarHBondContact O-N 3.11Å; L485-R487 PolarHBondContact O-NH1 3.34Å; L485-R487 VanDerWaalsContact O-NH1 3.16Å; L485-W521 HydrophobicContact CD1-CH2 3.6Å; L485-W521 HydrophobicContact CD1-CZ2 3.91Å; L485-W521 HydrophobicContact CD2-CZ2 4.4Å
486	F	94.5	Very high	92.2	Very high	21 Å²	21	43.2 Å²	43.2	9%	0.092	22%	0.222	C	C	.	.			trans	-67.2	162	176.9	-58.9	-42.5	0	0	0	112.8	L461 A466 W482 Q491	L461-F486 HydrophobicContact CB-CD1 4.11Å; L461-F486 HydrophobicContact CB-CE1 4.41Å; L461-F486 HydrophobicContact CD1-CD1 4.19Å; L461-F486 HydrophobicContact CD1-CE1 3.7Å; A466-F486 HydrophobicContact CB-CE1 4.39Å; A466-F486 HydrophobicContact CB-CZ 4.34Å; W482-F486 HydrophobicContact CB-CD2 4.4Å; W482-F486 HydrophobicContact CB-CE2 3.72Å; W482-F486 HydrophobicContact CB-CZ 4.1Å; W482-F486 HydrophobicContact CE3-CZ 4.27Å; W482-F486 VanDerWaalsContact O-CD2 3.23Å; W482-F486 WeakPolarHBondContact O-CD2 3.19Å; W482-F486 WeakPolarHBondContact O-CG 3.16Å; W482-F486 PolarHBondContact O-N 2.7Å; F486-Q491 HydrophobicContact CB-CB 3.96Å; F486-Q491 HydrophobicContact CD1-CB 3.55Å; F486-Q491 HydrophobicContact CD1-CG 4.28Å; F486-Q491 HydrophobicContact CD2-CB 4.21Å; F486-Q491 HydrophobicContact CE1-CB 4.07Å; F486-Q491 HydrophobicContact CG-CB 3.65Å
487	R	89.4	Confident	92	Very high	98 Å²	98	45.6 Å²	45.6	37%	0.37	24%	0.242	S	C	.	.			trans	-138.2	-29	-172.9	-64.4	-68.2	-180	-89.9	-4.2	113.8	Y301 R459 E460 Q484 L485	Y301-R487 HydrophobicContact CD1-CB 3.89Å; Y301-R487 HydrophobicContact CD1-CG 4.48Å; Y301-R487 HydrophobicContact CE1-CB 3.42Å; Y301-R487 VanDerWaalsContact CE1-CB 3.42Å; Y301-R487 HydrophobicContact CE1-CG 3.59Å; R459-R487 PolarHBondContact O-NH2 2.64Å; E460-R487 HydrophobicContact CG-CG 4.2Å; E460-R487 IonicContact OE2-CZ 2.66Å; E460-R487 IonicContact OE2-NE 2.73Å; E460-R487 PolarHBondContact OE2-NE 3.21Å; E460-R487 IonicContact OE2-NH2 3.85Å; E460-R487 PolarHBondContact OE2-NH2 3.01Å; Q484-R487 PolarHBondContact O-NH1 3.08Å; L485-R487 PolarHBondContact O-NH1 3.34Å; L485-R487 VanDerWaalsContact O-NH1 3.16Å
488	N	78.8	Confident	91.9	Very high	46 Å²	46	46.8 Å²	46.8	25%	0.246	25%	0.248	C	C	.	.	S	Bend	trans	-115.9	152.4	175.7	88	66.1	0	0	0	111.2	H490 Q491	N488-H490 PolarHBondContact O-N 3.26Å; N488-H490 WeakPolarHBondContact OD1-CB 3.17Å; N488-H490 PolarHBondContact OD1-N 2.04Å; N488-Q491 WeakPolarHBondContact ND2-CG 3.39Å; N488-Q491 PolarHBondContact ND2-OE1 2.83Å; N488-Q491 PolarHBondContact O-N 3.4Å
489	P	78.9	Confident	92	Very high	119 Å²	119	44.2 Å²	44.2	77%	0.773	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.6	-3.8	-168.9	32	-37.3	0	0	0	114.7
490	H	83.6	Confident	91.9	Very high	26 Å²	26	46.4 Å²	46.4	12%	0.12	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.8	4.2	178.8	-59.4	-68.8	0	0	0	112.8	H48 L49 Q51 N488	H48-H490 WeakPolarHBondContact O-CB 3.27Å; H48-H490 PolarHBondContact O-ND1 3.03Å; L49-H490 PolarHBondContact O-ND1 2.91Å; Q51-H490 PolarHBondContact O-CE1 3.17Å; N488-H490 PolarHBondContact O-N 3.26Å; N488-H490 WeakPolarHBondContact OD1-CB 3.17Å; N488-H490 PolarHBondContact OD1-N 2.04Å
491	Q	90.3	Very high	91.5	Very high	15 Å²	15	48.5 Å²	48.5	7%	0.07	26%	0.259	C	S	.	.			trans	-88.2	143.6	174.8	-55.3	-178.5	-96.8	0	0	110.9	L461 S463 G464 F486 N488	L461-Q491 PolarHBondContact O-NE2 3.16Å; L461-Q491 PolarHBondContact O-OE1 3.27Å; S463-Q491 PolarHBondContact O-NE2 3.09Å; G464-Q491 VanDerWaalsContact O-CG 3.31Å; G464-Q491 WeakPolarHBondContact O-CG 3.42Å; G464-Q491 PolarHBondContact O-NE2 3.17Å; F486-Q491 HydrophobicContact CB-CB 3.96Å; F486-Q491 HydrophobicContact CD1-CB 3.55Å; F486-Q491 HydrophobicContact CD1-CG 4.28Å; F486-Q491 HydrophobicContact CD2-CB 4.21Å; F486-Q491 HydrophobicContact CE1-CB 4.07Å; F486-Q491 HydrophobicContact CG-CB 3.65Å; N488-Q491 WeakPolarHBondContact ND2-CG 3.39Å; N488-Q491 PolarHBondContact ND2-OE1 2.83Å; N488-Q491 PolarHBondContact O-N 3.4Å
492	A	93.3	Very high	91.4	Very high	13 Å²	13	55 Å²	55	11%	0.107	29%	0.293	C	S	.	.			trans	-149.9	160.3	171.5	0	0	0	0	0	109.8	L465 A466	L465-A492 HydrophobicContact CD2-CB 4.29Å; A466-A492 PolarHBondContact N-O 3.44Å
493	L	95.7	Very high	91.3	Very high	32 Å²	32	58.8 Å²	58.8	17%	0.168	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	125.2	158.6	176.6	73.8	0	0	0	108.1	A466 I468 V477 W482 H495	A466-L493 HydrophobicContact CB-CD1 3.97Å; I468-L493 HydrophobicContact CB-CD1 4.41Å; I468-L493 HydrophobicContact CD1-CD1 3.98Å; I468-L493 HydrophobicContact CG1-CD1 4.05Å; V477-L493 HydrophobicContact CG1-CD2 3.92Å; W482-L493 HydrophobicContact CD2-CB 4.39Å; W482-L493 HydrophobicContact CD2-CD1 4.16Å; W482-L493 HydrophobicContact CD2-CD2 4.44Å; W482-L493 HydrophobicContact CE3-CD1 4.43Å; W482-L493 HydrophobicContact CG-CB 4.19Å; W482-L493 HydrophobicContact CG-CD2 4.28Å; W482-L493 HydrophobicContact CH2-CD1 4.49Å; W482-L493 HydrophobicContact CZ2-CD1 4.18Å; L493-H495 HydrophobicContact CD2-CB 4.23Å; L493-H495 HydrophobicContact CG-CB 4.27Å
494	L	94.1	Very high	91.4	Very high	10 Å²	10	51.9 Å²	51.9	5%	0.052	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	122.8	164.4	-55.4	-175.2	0	0	0	108	T41 D44 M45 Y441 L465 A466 L467 I468	T41-L494 HydrophobicContact CG2-CB 4.36Å; D44-L494 HydrophobicContact CB-CD2 4.5Å; M45-L494 HydrophobicContact CB-CD1 3.62Å; M45-L494 HydrophobicContact CG-CD1 4.28Å; Y441-L494 HydrophobicContact CE1-CD1 4.09Å; L465-L494 HydrophobicContact CD2-CD1 3.95Å; L465-L494 HydrophobicContact CD2-CD2 4.5Å; L465-L494 HydrophobicContact CD2-CG 4.11Å; A466-L494 PolarHBondContact O-N 3.09Å; L467-L494 WeakPolarHBondContact CA-O 3.45Å; L467-L494 HydrophobicContact CD1-CB 4.04Å; I468-L494 PolarHBondContact N-O 2.85Å
495	H	93.4	Very high	91.4	Very high	79 Å²	79	51.2 Å²	51.2	37%	0.366	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	140	-179.1	64.8	106.5	0	0	0	111.7	I468 H478 L493	I468-H495 WeakPolarHBondContact O-CA 3.42Å; I468-H495 WeakPolarHBondContact O-CB 3.14Å; H478-H495 AromaticContact CD2-CE1 3.77Å; H478-H495 AromaticContact NE2-CE1 3.17Å; H478-H495 PolarHBondContact NE2-CE1 3.09Å; H478-H495 AromaticContact NE2-ND1 3.62Å; L493-H495 HydrophobicContact CD2-CB 4.23Å; L493-H495 HydrophobicContact CG-CB 4.27Å
496	T	92.8	Very high	91.3	Very high	45 Å²	45	54.1 Å²	54.1	28%	0.276	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.7	153.8	177.2	-174.4	0	0	0	0	110.1	T41 H469 H470 N498	T41-T496 HydrophobicContact CG2-CG2 4.13Å; H469-T496 CarbonylContact C-O 3.5Å; H469-T496 WeakPolarHBondContact CA-O 3.46Å; H469-T496 HydrophobicContact CB-CG2 3.73Å; H469-T496 VanDerWaalsContact CB-O 3.26Å; H469-T496 WeakPolarHBondContact CB-O 3.47Å; H470-T496 PolarHBondContact N-O 3.49Å; T496-N498 PolarHBondContact O-N 3.15Å
497	A	92.5	Very high	91.2	Very high	51 Å²	51	59 Å²	59	42%	0.421	33%	0.331	S	S	.	.	S	Bend	trans	53.2	26.1	177	0	0	0	0	0	116.3	H470	H470-A497 CarbonylContact C-O 3.59Å; H470-A497 VanDerWaalsContact CA-O 3.23Å; H470-A497 WeakPolarHBondContact CA-O 3.41Å; H470-A497 VanDerWaalsContact CD2-CB 3.44Å; H470-A497 WeakPolarHBondContact CD2-CB 3.46Å; H470-A497 PolarHBondContact N-O 3.16Å
498	N	93.6	Very high	91.3	Very high	28 Å²	28	57.1 Å²	57.1	15%	0.15	34%	0.342	C	S	.	.	S	Bend	trans	-87.3	177.2	161.2	-49.5	-49.5	0	0	0	109.3	I468 H469 N471 T496	I468-N498 PolarHBondContact O-ND2 2.8Å; H469-N498 WeakPolarHBondContact CA-OD1 3.25Å; N471-N498 WeakPolarHBondContact CB-OD1 3.47Å; N471-N498 PolarHBondContact N-OD1 2.69Å; N471-N498 PolarHBondContact ND2-OD1 2.9Å; N471-N498 WeakPolarHBondContact O-CA 3.44Å; T496-N498 PolarHBondContact O-N 3.15Å
499	R	95	Very high	92.1	Very high	47 Å²	47	57.2 Å²	57.2	18%	0.177	34%	0.342	C	S	.	.			trans	-63.4	140.1	179	-164.5	170.8	-171	-170.2	1.1	111.9	L474 E503 E507	L474-R499 PolarHBondContact O-N 2.72Å; R499-E503 HydrophobicContact CG-CB 4.39Å; R499-E503 IonicContact CZ-OE2 3.06Å; R499-E503 IonicContact NE-OE2 2.74Å; R499-E503 PolarHBondContact NE-OE2 2.78Å; R499-E503 IonicContact NH2-OE2 3.51Å; R499-E503 PolarHBondContact NH2-OE2 2.81Å; R499-E507 IonicContact CZ-OE1 3.66Å; R499-E507 IonicContact CZ-OE2 2.67Å; R499-E507 VanDerWaalsContact NH1-CD 3.29Å; R499-E507 IonicContact NH1-OE1 3.91Å; R499-E507 PolarHBondContact NH1-OE1 2.83Å; R499-E507 IonicContact NH1-OE2 2.84Å; R499-E507 PolarHBondContact NH1-OE2 2.87Å; R499-E507 VanDerWaalsContact NH2-CD 3.3Å; R499-E507 IonicContact NH2-OE1 3.17Å; R499-E507 PolarHBondContact NH2-OE1 3.09Å; R499-E507 IonicContact NH2-OE2 3.44Å
500	P	93.5	Very high	92.8	Very high	66 Å²	66	53.8 Å²	53.8	43%	0.429	32%	0.324	S	S	.	.			trans	-63.4	136	175.1	-23	34.5	0	0	0	112.6	D502 E503 C504	P500-D502 VanDerWaalsContact C-N 3.28Å; P500-D502 PolarHBondContact O-N 3.44Å; P500-E503 HydrophobicContact CB-CG 4.27Å; P500-E503 HydrophobicContact CG-CG 4.42Å; P500-E503 WeakPolarHBondContact O-CB 3.41Å; P500-E503 PolarHBondContact O-N 2.8Å; P500-C504 PolarHBondContact O-N 3.49Å
501	E	89.1	Confident	93.4	Very high	48 Å²	48	53.8 Å²	53.8	22%	0.224	33%	0.327	C	S	.	.	H	α-helix	trans	-59.2	-38	-178.1	-167.1	69.2	-157.9	0	0	112.3	H478 E503 C504 V505	H478-E501 IonicContact CE1-OE2 2.82Å; H478-E501 IonicContact CG-OE2 3.26Å; H478-E501 IonicContact ND1-OE2 3.91Å; H478-E501 PolarHBondContact ND1-OE2 2.83Å; E501-E503 VanDerWaalsContact C-N 3.27Å; E501-E503 PolarHBondContact O-N 2.89Å; E501-C504 WeakPolarHBondContact O-CB 3.05Å; E501-C504 PolarHBondContact O-N 3.5Å; E501-V505 WeakPolarHBondContact O-CG2 3.46Å; E501-V505 PolarHBondContact O-N 2.87Å
502	D	92	Very high	93.6	Very high	148 Å²	148	56.5 Å²	56.5	79%	0.791	34%	0.339	S	S	*	.	H	α-helix	trans	-63.2	-30.9	177.7	-65.6	-48.1	0	0	0	112.8	P500 G506	P500-D502 VanDerWaalsContact C-N 3.28Å; P500-D502 PolarHBondContact O-N 3.44Å; D502-G506 PolarHBondContact O-N 2.98Å
503	E	94.7	Very high	93.8	Very high	96 Å²	96	64.6 Å²	64.6	45%	0.449	38%	0.375	S	S	.	.	H	α-helix	trans	-73.3	-42.9	173.1	-69.6	-175.3	-155.8	0	0	111.6	R499 P500 E501 V505 G506 E507	R499-E503 HydrophobicContact CG-CB 4.39Å; R499-E503 IonicContact CZ-OE2 3.06Å; R499-E503 IonicContact NE-OE2 2.74Å; R499-E503 PolarHBondContact NE-OE2 2.78Å; R499-E503 IonicContact NH2-OE2 3.51Å; R499-E503 PolarHBondContact NH2-OE2 2.81Å; P500-E503 HydrophobicContact CB-CG 4.27Å; P500-E503 HydrophobicContact CG-CG 4.42Å; P500-E503 WeakPolarHBondContact O-CB 3.41Å; P500-E503 PolarHBondContact O-N 2.8Å; E501-E503 VanDerWaalsContact C-N 3.27Å; E501-E503 PolarHBondContact O-N 2.89Å; E503-V505 PolarHBondContact O-N 2.86Å; E503-G506 WeakPolarHBondContact O-CA 3.16Å; E503-G506 PolarHBondContact O-N 2.82Å; E503-G506 VanDerWaalsContact O-N 3.13Å; E503-E507 PolarHBondContact O-N 3.42Å
504	C	94.9	Very high	93.8	Very high	0 Å²	0	64.1 Å²	64.1	0%	0	37%	0.372	C	S	.	.	H	α-helix	trans	-56.9	-51.2	176.6	-63.8	0	0	0	0	110.8	C475 P500 E501 G506 E507 G508 L509	C475-C504 WeakPolarHBondContact CA-SG 3.37Å; C475-C504 HydrophobicContact CB-CB 3.7Å; C475-C504 WeakPolarHBondContact CB-SG 3.13Å; C475-C504 WeakPolarHBondContact SG-CB 3.33Å; C475-C504 CovalentContact SG-SG 2.03Å; C475-C504 PolarHBondContact SG-SG 2.95Å; P500-C504 PolarHBondContact O-N 3.49Å; E501-C504 WeakPolarHBondContact O-CB 3.05Å; E501-C504 PolarHBondContact O-N 3.5Å; C504-G506 VanDerWaalsContact C-N 3.29Å; C504-G506 PolarHBondContact O-N 3.06Å; C504-E507 PolarHBondContact O-N 2.92Å; C504-G508 PolarHBondContact O-N 3.12Å; C504-L509 HydrophobicContact CB-CB 4.24Å; C504-L509 WeakPolarHBondContact O-CA 3.45Å; C504-L509 VanDerWaalsContact O-CB 3.31Å; C504-L509 WeakPolarHBondContact O-CB 3.14Å; C504-L509 PolarHBondContact O-N 2.04Å
505	V	93.3	Very high	93.9	Very high	82 Å²	82	64 Å²	64	50%	0.497	37%	0.372	S	S	.	.	H	α-helix	trans	-64.8	-34.9	176.2	178.6	0	0	0	0	111.3	E501 E503 E507 G508	E501-V505 WeakPolarHBondContact O-CG2 3.46Å; E501-V505 PolarHBondContact O-N 2.87Å; E503-V505 PolarHBondContact O-N 2.86Å; V505-E507 VanDerWaalsContact C-N 3.32Å; V505-E507 PolarHBondContact O-N 3.41Å; V505-G508 PolarHBondContact O-N 2.93Å
506	G	93.2	Very high	94	Very high	66 Å²	66	61.4 Å²	61.4	68%	0.68	36%	0.364	S	S	*	.	H	α-helix	trans	-61.8	-33	174.9	0	0	0	0	0	114.7	D502 E503 C504	D502-G506 PolarHBondContact O-N 2.98Å; E503-G506 WeakPolarHBondContact O-CA 3.16Å; E503-G506 PolarHBondContact O-N 2.82Å; E503-G506 VanDerWaalsContact O-N 3.13Å; C504-G506 VanDerWaalsContact C-N 3.29Å; C504-G506 PolarHBondContact O-N 3.06Å
507	E	93.3	Very high	94	Very high	125 Å²	125	69.4 Å²	69.4	58%	0.584	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.6	1.1	172.8	-74.1	179.8	-168.8	0	0	113.6	R499 E503 C504 V505 L509	R499-E507 IonicContact CZ-OE1 3.66Å; R499-E507 IonicContact CZ-OE2 2.67Å; R499-E507 VanDerWaalsContact NH1-CD 3.29Å; R499-E507 IonicContact NH1-OE1 3.91Å; R499-E507 PolarHBondContact NH1-OE1 2.83Å; R499-E507 IonicContact NH1-OE2 2.84Å; R499-E507 PolarHBondContact NH1-OE2 2.87Å; R499-E507 VanDerWaalsContact NH2-CD 3.3Å; R499-E507 IonicContact NH2-OE1 3.17Å; R499-E507 PolarHBondContact NH2-OE1 3.09Å; R499-E507 IonicContact NH2-OE2 3.44Å; E503-E507 PolarHBondContact O-N 3.42Å; C504-E507 PolarHBondContact O-N 2.92Å; V505-E507 VanDerWaalsContact C-N 3.32Å; V505-E507 PolarHBondContact O-N 3.41Å; E507-L509 HydrophobicContact CB-CG 4.41Å
508	G	92.1	Very high	94	Very high	58 Å²	58	68.7 Å²	68.7	60%	0.598	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.4	10.9	-178.1	0	0	0	0	0	114.6	C504 V505 A510	C504-G508 PolarHBondContact O-N 3.12Å; V505-G508 PolarHBondContact O-N 2.93Å; G508-A510 PolarHBondContact O-N 2.95Å
509	L	93.9	Very high	94.2	Very high	47 Å²	47	69.5 Å²	69.5	25%	0.246	39%	0.389	C	S	.	.			trans	-77.7	72.6	173.5	-58.3	174.2	0	0	0	109.9	C475 F476 C504 E507	C475-L509 HydrophobicContact CB-CB 4.45Å; C475-L509 HydrophobicContact CB-CD1 4.5Å; F476-L509 HydrophobicContact CE2-CB 3.97Å; F476-L509 HydrophobicContact CZ-CB 4.16Å; C504-L509 HydrophobicContact CB-CB 4.24Å; C504-L509 WeakPolarHBondContact O-CA 3.45Å; C504-L509 VanDerWaalsContact O-CB 3.31Å; C504-L509 WeakPolarHBondContact O-CB 3.14Å; C504-L509 PolarHBondContact O-N 2.04Å; E507-L509 HydrophobicContact CB-CG 4.41Å
510	A	94.1	Very high	94.3	Very high	47 Å²	47	67.3 Å²	67.3	39%	0.388	38%	0.381	S	S	.	.			trans	-128.3	162	178.5	0	0	0	0	0	111.3	G508	G508-A510 PolarHBondContact O-N 2.95Å
511	C	96	Very high	94.4	Very high	27 Å²	27	64.2 Å²	64.2	18%	0.182	36%	0.361	C	S	.	.			trans	-62.3	145.5	-178.7	-66.6	0	0	0	0	113	T479 C515 G518 C520	T479-C511 VanDerWaalsContact CB-SG 3.53Å; C511-C515 HydrophobicContact CB-CB 4.22Å; C511-G518 PolarHBondContact SG-O 3.48Å; C511-C520 WeakPolarHBondContact CA-SG 3.2Å; C511-C520 HydrophobicContact CB-CB 3.84Å; C511-C520 WeakPolarHBondContact CB-SG 3.08Å; C511-C520 WeakPolarHBondContact SG-CB 3.3Å; C511-C520 PolarHBondContact SG-N 3.17Å; C511-C520 VanDerWaalsContact SG-N 3.4Å; C511-C520 CovalentContact SG-SG 2.03Å; C511-C520 PolarHBondContact SG-SG 2.81Å
512	H	96.2	Very high	94.8	Very high	72 Å²	72	61.9 Å²	61.9	33%	0.333	35%	0.35	S	S	.	.			trans	-60.4	146.9	177.5	-167.9	-111.9	0	0	0	111.6	L514 C515	H512-L514 PolarHBondContact O-N 2.77Å; H512-C515 VanDerWaalsContact O-CB 3.26Å; H512-C515 WeakPolarHBondContact O-CB 3.5Å; H512-C515 PolarHBondContact O-N 3.37Å; H512-C515 PolarHBondContact O-SG 3.28Å; H512-C515 VanDerWaalsContact O-SG 3.42Å
513	Q	95.6	Very high	94.9	Very high	183 Å²	183	57.1 Å²	57.1	86%	0.855	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-18.8	-174.4	-60.5	-179.1	11.1	0	0	113.5
514	L	96.8	Very high	94.9	Very high	22 Å²	22	53.7 Å²	53.7	12%	0.115	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.8	-3	174.6	-55.5	178.6	0	0	0	113.9	H512 A516 C531 S532 C540 E542	H512-L514 PolarHBondContact O-N 2.77Å; L514-A516 PolarHBondContact O-N 2.93Å; L514-C531 CarbonylContact O-C 3.58Å; L514-C531 WeakPolarHBondContact O-CA 3.32Å; L514-S532 WeakPolarHBondContact CA-OG 3.49Å; L514-S532 PolarHBondContact O-N 2.8Å; L514-S532 PolarHBondContact O-OG 3.4Å; L514-C540 HydrophobicContact CB-CB 3.86Å; L514-C540 VanDerWaalsContact CD1-O 3.25Å; L514-C540 WeakPolarHBondContact CD1-O 3.49Å; L514-E542 HydrophobicContact CD1-CG 4.09Å; L514-E542 HydrophobicContact CD2-CG 3.76Å
515	C	96.2	Very high	95	Very high	7 Å²	7	55 Å²	55	5%	0.047	33%	0.326	C	S	.	.	B	Isolated β-bridge	trans	-78.2	119.1	173.8	-57.5	0	0	0	0	110.5	C511 H512 R517 G518 C520 C528	C511-C515 HydrophobicContact CB-CB 4.22Å; H512-C515 VanDerWaalsContact O-CB 3.26Å; H512-C515 WeakPolarHBondContact O-CB 3.5Å; H512-C515 PolarHBondContact O-N 3.37Å; H512-C515 PolarHBondContact O-SG 3.28Å; H512-C515 VanDerWaalsContact O-SG 3.42Å; C515-R517 PolarHBondContact O-N 3.14Å; C515-G518 PolarHBondContact O-N 3.15Å; C515-G518 VanDerWaalsContact O-N 3.16Å; C515-C520 HydrophobicContact CB-CB 4.5Å; C515-C528 WeakPolarHBondContact CA-SG 3.48Å; C515-C528 HydrophobicContact CB-CB 3.63Å; C515-C528 WeakPolarHBondContact CB-SG 3.47Å; C515-C528 PolarHBondContact N-SG 3.03Å; C515-C528 WeakPolarHBondContact SG-CA 3.09Å; C515-C528 WeakPolarHBondContact SG-CB 3Å; C515-C528 CovalentContact SG-SG 2.04Å; C515-C528 PolarHBondContact SG-SG 3.1Å
516	A	94.7	Very high	95.1	Very high	24 Å²	24	53.7 Å²	53.7	20%	0.198	32%	0.318	C	S	.	.	G	3₁₀ helix	trans	-61.1	132	-179.1	0	0	0	0	0	110.7	L514 G518 H519 N530	L514-A516 PolarHBondContact O-N 2.93Å; A516-G518 PolarHBondContact O-N 2.73Å; A516-G518 VanDerWaalsContact O-N 3.07Å; A516-H519 PolarHBondContact O-N 3.44Å; A516-H519 VanDerWaalsContact O-N 3.13Å; A516-N530 HydrophobicContact CB-CB 4Å; A516-N530 WeakPolarHBondContact CB-O 3.49Å; A516-N530 PolarHBondContact N-O 2.96Å
517	R	94.1	Very high	95.3	Very high	214 Å²	214	51.1 Å²	51.1	81%	0.808	29%	0.289	S	S	*	.	G	3₁₀ helix	trans	59	11.6	-178	-51.8	179.7	-176.6	169.3	3	115.1	C515 H519	C515-R517 PolarHBondContact O-N 3.14Å; R517-H519 PolarHBondContact O-CD2 3.2Å
518	G	92.9	Very high	95.4	Very high	35 Å²	35	46 Å²	46	36%	0.361	27%	0.266	S	S	.	.	G	3₁₀ helix	trans	72.7	25.7	-173.3	0	0	0	0	0	113.6	C511 C515 A516	C511-G518 PolarHBondContact SG-O 3.48Å; C515-G518 PolarHBondContact O-N 3.15Å; C515-G518 VanDerWaalsContact O-N 3.16Å; A516-G518 PolarHBondContact O-N 2.73Å; A516-G518 VanDerWaalsContact O-N 3.07Å
519	H	96.3	Very high	95.5	Very high	46 Å²	46	45 Å²	45	21%	0.213	25%	0.248	C	C	.	.			trans	-93.8	119	179.2	-63.1	177.7	0	0	0	112.1	T479 P481 A516 R517 V529	T479-H519 WeakPolarHBondContact O-CA 3.41Å; P481-H519 HydrophobicContact CG-CB 4.34Å; A516-H519 PolarHBondContact O-N 3.44Å; A516-H519 VanDerWaalsContact O-N 3.13Å; R517-H519 PolarHBondContact O-CD2 3.2Å; H519-V529 HydrophobicContact CB-CB 3.99Å; H519-V529 HydrophobicContact CB-CG2 4.02Å; H519-V529 PolarHBondContact O-N 3.14Å
520	C	96.9	Very high	95.5	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	26%	0.263	C	S	.	.	B	Isolated β-bridge	trans	-157.1	162.7	178.6	74.4	0	0	0	0	113.5	F476 T479 C511 C515 G522 Q527	F476-C520 WeakPolarHBondContact CD1-SG 3.45Å; T479-C520 CarbonylContact C-O 3.58Å; T479-C520 PolarHBondContact O-N 2.8Å; T479-C520 VanDerWaalsContact O-N 3.12Å; T479-C520 PolarHBondContact OG1-O 3.1Å; C511-C520 WeakPolarHBondContact CA-SG 3.2Å; C511-C520 HydrophobicContact CB-CB 3.84Å; C511-C520 WeakPolarHBondContact CB-SG 3.08Å; C511-C520 WeakPolarHBondContact SG-CB 3.3Å; C511-C520 PolarHBondContact SG-N 3.17Å; C511-C520 VanDerWaalsContact SG-N 3.4Å; C511-C520 CovalentContact SG-SG 2.03Å; C511-C520 PolarHBondContact SG-SG 2.81Å; C515-C520 HydrophobicContact CB-CB 4.5Å; C520-G522 PolarHBondContact SG-O 3.07Å; C520-Q527 CarbonylContact C-O 3.5Å; C520-Q527 VanDerWaalsContact CA-O 3.23Å; C520-Q527 WeakPolarHBondContact CA-O 3.12Å; C520-Q527 WeakPolarHBondContact CB-O 3.29Å
521	W	96.9	Very high	95.6	Very high	1 Å²	1	46.2 Å²	46.2	0%	0.004	25%	0.249	C	C	.	.	S	Bend	trans	-97.3	0.9	180	-67.5	100.1	0	0	0	114.6	L453 G454 L455 L458 V480 W482 L485 Q527	L453-W521 HydrophobicContact CB-CE3 3.97Å; L453-W521 HydrophobicContact CD1-CE3 3.99Å; L453-W521 HydrophobicContact CD1-CZ3 3.92Å; L453-W521 PolarHBondContact N-O 2.89Å; G454-W521 PolarHBondContact N-O 2.87Å; L455-W521 HydrophobicContact CB-CD2 4.29Å; L455-W521 HydrophobicContact CB-CE3 3.9Å; L455-W521 HydrophobicContact CB-CH2 4.41Å; L455-W521 HydrophobicContact CB-CZ3 3.98Å; L455-W521 HydrophobicContact CD1-CZ3 4.42Å; L458-W521 HydrophobicContact CB-CH2 4.09Å; L458-W521 HydrophobicContact CB-CZ2 3.88Å; L458-W521 HydrophobicContact CD2-CH2 3.84Å; L458-W521 HydrophobicContact CD2-CZ2 4.46Å; L458-W521 HydrophobicContact CG-CH2 4.24Å; L458-W521 HydrophobicContact CG-CZ2 4.39Å; L458-W521 WeakPolarHBondContact O-CZ2 3.42Å; V480-W521 HydrophobicContact CB-CE3 4.46Å; V480-W521 HydrophobicContact CB-CZ3 4.32Å; V480-W521 HydrophobicContact CG1-CE3 4.19Å; V480-W521 HydrophobicContact CG1-CH2 3.49Å; V480-W521 VanDerWaalsContact CG1-CH2 3.49Å; V480-W521 HydrophobicContact CG1-CZ2 3.89Å; V480-W521 HydrophobicContact CG1-CZ3 3.67Å; V480-W521 HydrophobicContact CG2-CD2 3.78Å; V480-W521 HydrophobicContact CG2-CE3 3.4Å; V480-W521 VanDerWaalsContact CG2-CE3 3.4Å; V480-W521 HydrophobicContact CG2-CG 4.4Å; V480-W521 HydrophobicContact CG2-CH2 4.28Å; V480-W521 HydrophobicContact CG2-CZ3 3.68Å; W482-W521 HydrophobicContact CH2-CZ3 4.27Å; L485-W521 HydrophobicContact CD1-CH2 3.6Å; L485-W521 HydrophobicContact CD1-CZ2 3.91Å; L485-W521 HydrophobicContact CD2-CZ2 4.4Å; W521-Q527 PolarHBondContact N-O 3.27Å
522	G	96.1	Very high	95.5	Very high	0 Å²	0	47 Å²	47	0%	0	26%	0.255	C	S	.	.	S	Bend	trans	162	-175.1	-170.9	0	0	0	0	0	112.1	C520 Q527	C520-G522 PolarHBondContact SG-O 3.07Å; G522-Q527 WeakPolarHBondContact O-CB 3.48Å
523	P	95.1	Very high	95.3	Very high	47 Å²	47	48.3 Å²	48.3	31%	0.305	26%	0.261	S	S	.	.	S	Bend	trans	-73.2	151.3	-177.7	30.3	-34.2	0	0	0	113	W452 F476 Q527	W452-P523 HydrophobicContact CD2-CG 3.94Å; W452-P523 HydrophobicContact CE3-CG 3.9Å; W452-P523 HydrophobicContact CH2-CG 4.23Å; W452-P523 HydrophobicContact CZ2-CG 4.25Å; W452-P523 HydrophobicContact CZ3-CG 4.05Å; F476-P523 HydrophobicContact CZ-CB 4.11Å; P523-Q527 WeakPolarHBondContact O-CG 3.23Å
524	G	94.7	Very high	95.4	Very high	24 Å²	24	42.2 Å²	42.2	25%	0.247	23%	0.232	C	C	.	.	S	Bend	trans	89.8	166.9	170.7	0	0	0	0	0	116.3	T526 Q527	G524-T526 PolarHBondContact O-N 2.95Å; G524-Q527 PolarHBondContact O-N 3.08Å
525	P	96.1	Very high	95.3	Very high	27 Å²	27	42.8 Å²	42.8	18%	0.175	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-10.4	-174.8	26.4	-34.7	0	0	0	114.9	E539 C540	P525-E539 HydrophobicContact CB-CG 3.9Å; P525-E539 HydrophobicContact CG-CG 3.84Å; P525-C540 HydrophobicContact CB-CB 4.32Å; P525-C540 WeakPolarHBondContact CB-O 3.41Å; P525-C540 PolarHBondContact O-N 3.39Å
526	T	96.1	Very high	95.2	Very high	55 Å²	55	44.8 Å²	44.8	34%	0.337	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.8	-6.1	-178.8	51.7	0	0	0	0	114.2	R456 G524 Q538 E539	R456-T526 WeakPolarHBondContact CD-O 3.37Å; G524-T526 PolarHBondContact O-N 2.95Å; T526-Q538 WeakPolarHBondContact CA-O 3.04Å; T526-E539 HydrophobicContact CG2-CB 4.05Å; T526-E539 HydrophobicContact CG2-CG 4.15Å
527	Q	96.8	Very high	95.1	Very high	13 Å²	13	46.4 Å²	46.4	6%	0.061	26%	0.26	C	S	.	.	S	Bend	trans	-109.2	0.6	-177.2	-64.3	-66.7	-6.9	0	0	113.2	C520 W521 G522 P523 G524	C520-Q527 CarbonylContact C-O 3.5Å; C520-Q527 VanDerWaalsContact CA-O 3.23Å; C520-Q527 WeakPolarHBondContact CA-O 3.12Å; C520-Q527 WeakPolarHBondContact CB-O 3.29Å; W521-Q527 PolarHBondContact N-O 3.27Å; G522-Q527 WeakPolarHBondContact O-CB 3.48Å; P523-Q527 WeakPolarHBondContact O-CG 3.23Å; G524-Q527 PolarHBondContact O-N 3.08Å
528	C	96.1	Very high	95	Very high	16 Å²	16	41.1 Å²	41.1	11%	0.108	25%	0.245	C	C	.	.	B	Isolated β-bridge	trans	-67.3	136.7	179.2	-57.3	0	0	0	0	111.9	C515 N530 C540	C515-C528 WeakPolarHBondContact CA-SG 3.48Å; C515-C528 HydrophobicContact CB-CB 3.63Å; C515-C528 WeakPolarHBondContact CB-SG 3.47Å; C515-C528 PolarHBondContact N-SG 3.03Å; C515-C528 WeakPolarHBondContact SG-CA 3.09Å; C515-C528 WeakPolarHBondContact SG-CB 3Å; C515-C528 CovalentContact SG-SG 2.04Å; C515-C528 PolarHBondContact SG-SG 3.1Å; C528-N530 VanDerWaalsContact C-N 3.3Å; C528-N530 PolarHBondContact O-N 3.12Å; C528-C540 VanDerWaalsContact CB-SG 3.52Å
529	V	94.5	Very high	95.1	Very high	37 Å²	37	43.5 Å²	43.5	22%	0.224	25%	0.247	C	C	.	.	S	Bend	trans	-70.2	-30.1	175.9	-178.8	0	0	0	0	111.7	P481 H519	P481-V529 HydrophobicContact CG-CG1 4.05Å; P481-V529 HydrophobicContact CG-CG2 4.3Å; H519-V529 HydrophobicContact CB-CB 3.99Å; H519-V529 HydrophobicContact CB-CG2 4.02Å; H519-V529 PolarHBondContact O-N 3.14Å
530	N	93.9	Very high	95.1	Very high	105 Å²	105	41.5 Å²	41.5	56%	0.561	24%	0.238	S	C	*	.	S	Bend	trans	-151.6	148.9	171.6	-91.5	-82.4	0	0	0	108.7	A516 C528	A516-N530 HydrophobicContact CB-CB 4Å; A516-N530 WeakPolarHBondContact CB-O 3.49Å; A516-N530 PolarHBondContact N-O 2.96Å; C528-N530 VanDerWaalsContact C-N 3.3Å; C528-N530 PolarHBondContact O-N 3.12Å
531	C	94.8	Very high	95	Very high	15 Å²	15	42.2 Å²	42.2	10%	0.101	24%	0.242	C	C	.	.	B	Isolated β-bridge	trans	-85.3	140.4	174.8	-52.5	0	0	0	0	112	L514 F534 L535 C540 R558	L514-C531 CarbonylContact O-C 3.58Å; L514-C531 WeakPolarHBondContact O-CA 3.32Å; C531-F534 WeakPolarHBondContact CB-O 3.44Å; C531-F534 PolarHBondContact SG-O 3.06Å; C531-L535 WeakPolarHBondContact SG-CD1 3.5Å; C531-C540 WeakPolarHBondContact CA-SG 3.38Å; C531-C540 HydrophobicContact CB-CB 3.72Å; C531-C540 WeakPolarHBondContact CB-SG 3.01Å; C531-C540 WeakPolarHBondContact SG-CA 3.39Å; C531-C540 WeakPolarHBondContact SG-CB 3.2Å; C531-C540 CovalentContact SG-SG 2.03Å; C531-C540 PolarHBondContact SG-SG 3.03Å; C531-R558 PolarHBondContact O-NH1 2.8Å
532	S	94.2	Very high	94.9	Very high	43 Å²	43	49 Å²	49	30%	0.301	27%	0.274	S	S	.	.	S	Bend	trans	-65	-42.8	172.8	60.9	0	0	0	0	111.4	L514 R558	L514-S532 WeakPolarHBondContact CA-OG 3.49Å; L514-S532 PolarHBondContact O-N 2.8Å; L514-S532 PolarHBondContact O-OG 3.4Å; S532-R558 PolarHBondContact O-NH1 3.05Å
533	Q	93.2	Very high	94.8	Very high	100 Å²	100	56.3 Å²	56.3	47%	0.467	31%	0.308	S	S	.	.	S	Bend	trans	-103.4	-103.9	175.5	-55.7	-64.6	11	0	0	111.3	R558	Q533-R558 PolarHBondContact O-NH1 2.84Å
534	F	96	Very high	94.8	Very high	55 Å²	55	54.8 Å²	54.8	24%	0.241	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	161.9	-173.2	-53.1	-80	0	0	0	112.9	C531 C540 V541 E542 C544 V555 R558	C531-F534 WeakPolarHBondContact CB-O 3.44Å; C531-F534 PolarHBondContact SG-O 3.06Å; F534-C540 WeakPolarHBondContact O-CA 3.35Å; F534-V541 HydrophobicContact CB-CG2 4.18Å; F534-V541 PolarHBondContact N-O 3.48Å; F534-V541 PolarHBondContact O-N 2.7Å; F534-E542 VanDerWaalsContact CD2-O 3.31Å; F534-E542 WeakPolarHBondContact CD2-O 3.33Å; F534-C544 VanDerWaalsContact CG-SG 3.6Å; F534-V555 HydrophobicContact CD1-CG1 4.04Å; F534-V555 HydrophobicContact CE1-CG1 3.81Å; F534-V555 HydrophobicContact CE1-CG2 4.19Å; F534-R558 CarbonylContact C-O 3.57Å; F534-R558 WeakPolarHBondContact CA-O 3.45Å; F534-R558 WeakPolarHBondContact CB-O 3.31Å
535	L	95.1	Very high	94.8	Very high	34 Å²	34	58 Å²	58	18%	0.178	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	123.3	173.4	-174.4	74.6	0	0	0	110	C531 G537 R558 H559 C560	C531-L535 WeakPolarHBondContact SG-CD1 3.5Å; L535-G537 WeakPolarHBondContact CD2-O 3.39Å; L535-R558 PolarHBondContact N-O 3.25Å; L535-H559 CarbonylContact O-C 3.55Å; L535-H559 WeakPolarHBondContact O-CA 3.39Å; L535-C560 PolarHBondContact O-N 3.29Å
536	R	94.7	Very high	94.7	Very high	50 Å²	50	58.3 Å²	58.3	19%	0.189	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	104.6	169.7	179.6	179.7	-70.4	104	14.5	108.7	Q538 E539 V541 E543 E553 C560	R536-Q538 PolarHBondContact O-N 2.7Å; R536-E539 PolarHBondContact N-O 3.12Å; R536-E539 PolarHBondContact O-N 2.97Å; R536-V541 HydrophobicContact CB-CG1 4.17Å; R536-V541 HydrophobicContact CB-CG2 3.95Å; R536-E543 PolarHBondContact NH2-O 3.23Å; R536-E553 IonicContact CZ-OE1 3.31Å; R536-E553 IonicContact CZ-OE2 3.57Å; R536-E553 IonicContact NE-OE1 3.92Å; R536-E553 PolarHBondContact NE-OE1 3.38Å; R536-E553 IonicContact NE-OE2 2.86Å; R536-E553 PolarHBondContact NE-OE2 3.26Å; R536-E553 IonicContact NH2-OE1 3.12Å; R536-E553 IonicContact NH2-OE2 3.47Å; R536-E553 PolarHBondContact NH2-OE2 3.2Å; R536-C560 HydrophobicContact CB-CB 4.16Å
537	G	91.6	Very high	94.5	Very high	57 Å²	57	60.4 Å²	60.4	59%	0.588	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.5	-96.1	-174.5	0	0	0	0	0	111.6	L535	L535-G537 WeakPolarHBondContact CD2-O 3.39Å
538	Q	91.9	Very high	94.1	Very high	104 Å²	104	67.9 Å²	67.9	49%	0.486	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-129.4	24.2	178.3	-65	-71.2	4.9	0	0	112.3	T526 R536	T526-Q538 WeakPolarHBondContact CA-O 3.04Å; R536-Q538 PolarHBondContact O-N 2.7Å
539	E	95.5	Very high	93.8	Very high	85 Å²	85	68.7 Å²	68.7	40%	0.397	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	127.5	-179.2	-175	-177.3	-156	0	0	110.8	P525 T526 R536 V541	P525-E539 HydrophobicContact CB-CG 3.9Å; P525-E539 HydrophobicContact CG-CG 3.84Å; T526-E539 HydrophobicContact CG2-CB 4.05Å; T526-E539 HydrophobicContact CG2-CG 4.15Å; R536-E539 PolarHBondContact N-O 3.12Å; R536-E539 PolarHBondContact O-N 2.97Å; E539-V541 HydrophobicContact CG-CG1 4.12Å
540	C	96.3	Very high	93.3	Very high	3 Å²	3	72.9 Å²	72.9	2%	0.02	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	130.4	173.1	-66.2	0	0	0	0	111.5	L514 P525 C528 C531 F534	L514-C540 HydrophobicContact CB-CB 3.86Å; L514-C540 VanDerWaalsContact CD1-O 3.25Å; L514-C540 WeakPolarHBondContact CD1-O 3.49Å; P525-C540 HydrophobicContact CB-CB 4.32Å; P525-C540 WeakPolarHBondContact CB-O 3.41Å; P525-C540 PolarHBondContact O-N 3.39Å; C528-C540 VanDerWaalsContact CB-SG 3.52Å; C531-C540 WeakPolarHBondContact CA-SG 3.38Å; C531-C540 HydrophobicContact CB-CB 3.72Å; C531-C540 WeakPolarHBondContact CB-SG 3.01Å; C531-C540 WeakPolarHBondContact SG-CA 3.39Å; C531-C540 WeakPolarHBondContact SG-CB 3.2Å; C531-C540 CovalentContact SG-SG 2.03Å; C531-C540 PolarHBondContact SG-SG 3.03Å; F534-C540 WeakPolarHBondContact O-CA 3.35Å
541	V	96.3	Very high	93.3	Very high	15 Å²	15	71.5 Å²	71.5	9%	0.091	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	150.3	-172.4	-61.2	0	0	0	0	111.8	F534 R536 E539	F534-V541 HydrophobicContact CB-CG2 4.18Å; F534-V541 PolarHBondContact N-O 3.48Å; F534-V541 PolarHBondContact O-N 2.7Å; R536-V541 HydrophobicContact CB-CG1 4.17Å; R536-V541 HydrophobicContact CB-CG2 3.95Å; E539-V541 HydrophobicContact CG-CG1 4.12Å
542	E	94.3	Very high	93.2	Very high	143 Å²	143	71.4 Å²	71.4	67%	0.668	37%	0.374	S	S	*	.	S	Bend	trans	-66.8	-41.7	-178.8	-68.9	175	179.7	0	0	112.5	L514 F534	L514-E542 HydrophobicContact CD1-CG 4.09Å; L514-E542 HydrophobicContact CD2-CG 3.76Å; F534-E542 VanDerWaalsContact CD2-O 3.31Å; F534-E542 WeakPolarHBondContact CD2-O 3.33Å
543	E	94.3	Very high	93.3	Very high	154 Å²	154	69.8 Å²	69.8	72%	0.72	36%	0.361	S	S	*	.			trans	-141.2	148.7	-176.8	-62.5	-169.7	167.1	0	0	113.3	R536	R536-E543 PolarHBondContact NH2-O 3.23Å
544	C	94.3	Very high	93.4	Very high	15 Å²	15	66.2 Å²	66.2	10%	0.101	34%	0.344	C	S	.	.			trans	-88.3	151.6	167.4	-56.3	0	0	0	0	111.2	F534 V546 E553 V555 C560	F534-C544 VanDerWaalsContact CG-SG 3.6Å; C544-V546 HydrophobicContact CB-CG2 3.96Å; C544-V546 PolarHBondContact O-N 3.38Å; C544-E553 WeakPolarHBondContact CA-OE2 3.44Å; C544-E553 HydrophobicContact CB-CB 4.42Å; C544-V555 HydrophobicContact CB-CG2 4.01Å; C544-C560 WeakPolarHBondContact CA-SG 3.02Å; C544-C560 HydrophobicContact CB-CB 3.72Å; C544-C560 WeakPolarHBondContact CB-SG 3.35Å; C544-C560 WeakPolarHBondContact SG-CA 3.42Å; C544-C560 WeakPolarHBondContact SG-CB 3.48Å; C544-C560 CovalentContact SG-SG 2.04Å; C544-C560 PolarHBondContact SG-SG 3.3Å
545	R	94.8	Very high	93.3	Very high	91 Å²	91	66.8 Å²	66.8	34%	0.343	35%	0.352	S	S	.	.	S	Bend	trans	-76.5	49.9	-175.4	-61.2	171.7	-169	179.1	10.1	113	Q548 L550 P551 R552 E553	R545-Q548 CarbonylContact C-O 3.51Å; R545-Q548 WeakPolarHBondContact CA-O 3.12Å; R545-Q548 WeakPolarHBondContact CB-O 3.48Å; R545-L550 PolarHBondContact NH1-O 2.8Å; R545-P551 WeakPolarHBondContact CB-O 3.33Å; R545-P551 WeakPolarHBondContact CD-O 3.29Å; R545-R552 WeakPolarHBondContact O-CA 3.45Å; R545-R552 WeakPolarHBondContact O-CD 3.31Å; R545-E553 HydrophobicContact CB-CB 4.11Å; R545-E553 HydrophobicContact CB-CG 3.94Å; R545-E553 WeakPolarHBondContact CD-OE1 3.23Å; R545-E553 PolarHBondContact N-OE2 3.01Å; R545-E553 IonicContact NE-OE1 2.71Å; R545-E553 PolarHBondContact O-N 3.45Å
546	V	93.9	Very high	93.3	Very high	34 Å²	34	69.6 Å²	69.6	21%	0.206	37%	0.367	C	S	.	.	S	Bend	trans	-75.1	-54.8	-173.9	-179.9	0	0	0	0	110.5	C544 R552 E553 V555 V574	C544-V546 HydrophobicContact CB-CG2 3.96Å; C544-V546 PolarHBondContact O-N 3.38Å; V546-R552 PolarHBondContact O-NH1 3.13Å; V546-E553 WeakPolarHBondContact CA-O 3.23Å; V546-E553 WeakPolarHBondContact CG2-O 3.41Å; V546-V555 HydrophobicContact CG2-CG2 4.04Å; V546-V574 HydrophobicContact CG1-CB 4.21Å; V546-V574 HydrophobicContact CG1-CG2 4.05Å
547	L	91.8	Very high	93.1	Very high	100 Å²	100	71 Å²	71	52%	0.524	39%	0.389	S	S	.	.	S	Bend	trans	-95.2	-26.2	-176.7	-56.7	-178.7	0	0	0	113.5	R552 S573	L547-R552 VanDerWaalsContact C-NH1 3.3Å; L547-R552 VanDerWaalsContact O-CZ 3.25Å; L547-R552 PolarHBondContact O-NH1 3.07Å; L547-R552 VanDerWaalsContact O-NH1 3.13Å; L547-R552 PolarHBondContact O-NH2 2.72Å; L547-S573 VanDerWaalsContact CD2-C 3.44Å
548	Q	89.5	Confident	93.1	Very high	169 Å²	169	75.2 Å²	75.2	79%	0.79	39%	0.387	S	S	*	.	S	Bend	trans	-151.1	151.4	-175.6	-177	167.7	-19.3	0	0	110.4	R545	R545-Q548 CarbonylContact C-O 3.51Å; R545-Q548 WeakPolarHBondContact CA-O 3.12Å; R545-Q548 WeakPolarHBondContact CB-O 3.48Å
549	G	87.9	Confident	93.2	Very high	33 Å²	33	74.2 Å²	74.2	34%	0.34	38%	0.382	S	S	.	.	S	Bend	trans	107.6	167.1	-176.2	0	0	0	0	0	113.3	R552	G549-R552 WeakPolarHBondContact O-CD 3.31Å; G549-R552 PolarHBondContact O-NE 2.87Å
550	L	85.6	Confident	93.2	Very high	126 Å²	126	70.5 Å²	70.5	66%	0.66	37%	0.366	S	S	*	.	S	Bend	trans	-136.8	140.5	174.3	-69.4	175.6	0	0	0	109.3	R545 P569	R545-L550 PolarHBondContact NH1-O 2.8Å; L550-P569 HydrophobicContact CD2-CG 4.15Å
551	P	92.4	Very high	93.2	Very high	76 Å²	76	73 Å²	73	49%	0.494	38%	0.378	S	S	.	.	S	Bend	cis	-56.6	161.6	-15.5	29.8	-36.9	0	0	0	111.2	R545	R545-P551 WeakPolarHBondContact CB-O 3.33Å; R545-P551 WeakPolarHBondContact CD-O 3.29Å
552	R	94.2	Very high	93.1	Very high	12 Å²	12	76 Å²	76	5%	0.045	40%	0.398	C	S	.	.			trans	-76.7	145.5	170.8	-74.3	-66.5	-169.2	106.6	12	109.7	R545 V546 L547 G549 P562 C563 P569 Q570 N571 S573 T575	R545-R552 WeakPolarHBondContact O-CA 3.45Å; R545-R552 WeakPolarHBondContact O-CD 3.31Å; V546-R552 PolarHBondContact O-NH1 3.13Å; L547-R552 VanDerWaalsContact C-NH1 3.3Å; L547-R552 VanDerWaalsContact O-CZ 3.25Å; L547-R552 PolarHBondContact O-NH1 3.07Å; L547-R552 VanDerWaalsContact O-NH1 3.13Å; L547-R552 PolarHBondContact O-NH2 2.72Å; G549-R552 WeakPolarHBondContact O-CD 3.31Å; G549-R552 PolarHBondContact O-NE 2.87Å; R552-P562 WeakPolarHBondContact O-CA 3.06Å; R552-C563 HydrophobicContact CB-CB 4.45Å; R552-C563 PolarHBondContact O-N 3.45Å; R552-P569 HydrophobicContact CG-CB 4.01Å; R552-P569 HydrophobicContact CG-CG 4.39Å; R552-Q570 VanDerWaalsContact CZ-O 3.28Å; R552-Q570 PolarHBondContact NH1-O 2.87Å; R552-Q570 PolarHBondContact NH2-O 2.9Å; R552-N571 PolarHBondContact NH2-OD1 2.92Å; R552-N571 VanDerWaalsContact NH2-OD1 3.16Å; R552-S573 PolarHBondContact NH1-O 2.94Å; R552-S573 VanDerWaalsContact NH1-O 3.08Å; R552-T575 HydrophobicContact CB-CG2 3.84Å; R552-T575 HydrophobicContact CG-CG2 4.02Å; R552-T575 WeakPolarHBondContact CG-OG1 3.24Å; R552-T575 PolarHBondContact NH1-OG1 3.05Å
553	E	96	Very high	93.2	Very high	9 Å²	9	69.9 Å²	69.9	4%	0.042	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	150.5	-172.8	-67.6	164.8	-178.9	0	0	110.9	R536 C544 R545 V546 C560 L561	R536-E553 IonicContact CZ-OE1 3.31Å; R536-E553 IonicContact CZ-OE2 3.57Å; R536-E553 IonicContact NE-OE1 3.92Å; R536-E553 PolarHBondContact NE-OE1 3.38Å; R536-E553 IonicContact NE-OE2 2.86Å; R536-E553 PolarHBondContact NE-OE2 3.26Å; R536-E553 IonicContact NH2-OE1 3.12Å; R536-E553 IonicContact NH2-OE2 3.47Å; R536-E553 PolarHBondContact NH2-OE2 3.2Å; C544-E553 WeakPolarHBondContact CA-OE2 3.44Å; C544-E553 HydrophobicContact CB-CB 4.42Å; R545-E553 HydrophobicContact CB-CB 4.11Å; R545-E553 HydrophobicContact CB-CG 3.94Å; R545-E553 WeakPolarHBondContact CD-OE1 3.23Å; R545-E553 PolarHBondContact N-OE2 3.01Å; R545-E553 IonicContact NE-OE1 2.71Å; R545-E553 PolarHBondContact O-N 3.45Å; V546-E553 WeakPolarHBondContact CA-O 3.23Å; V546-E553 WeakPolarHBondContact CG2-O 3.41Å; E553-C560 WeakPolarHBondContact OE2-CB 3.13Å; E553-L561 CarbonylContact C-O 3.46Å; E553-L561 WeakPolarHBondContact CA-O 3.47Å; E553-L561 WeakPolarHBondContact CB-O 3.46Å
554	Y	95.2	Very high	93.2	Very high	25 Å²	25	65.6 Å²	65.6	10%	0.098	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	168	162.5	72.4	-77.7	0	0	0	109.8	N556 L561 P562 P579	Y554-N556 HydrophobicContact CD2-CB 4.39Å; Y554-N556 HydrophobicContact CE2-CB 3.86Å; Y554-L561 HydrophobicContact CD1-CB 4.07Å; Y554-L561 WeakPolarHBondContact CD1-O 3.4Å; Y554-L561 HydrophobicContact CE1-CB 3.45Å; Y554-L561 VanDerWaalsContact CE1-CB 3.45Å; Y554-L561 HydrophobicContact CE2-CB 4.26Å; Y554-L561 HydrophobicContact CE2-CD1 4.19Å; Y554-L561 PolarHBondContact N-O 2.93Å; Y554-L561 PolarHBondContact O-N 2.83Å; Y554-L561 VanDerWaalsContact OH-CD1 3.31Å; Y554-L561 WeakPolarHBondContact OH-CD1 3.38Å; Y554-P562 WeakPolarHBondContact CE1-O 3.1Å; Y554-P579 HydrophobicContact CE1-CB 4Å; Y554-P579 WeakPolarHBondContact OH-CB 3.22Å; Y554-P579 VanDerWaalsContact OH-CD 3.28Å; Y554-P579 WeakPolarHBondContact OH-CD 3.33Å; Y554-P579 WeakPolarHBondContact OH-CG 3.37Å
555	V	94.8	Very high	93.2	Very high	68 Å²	68	70.2 Å²	70.2	41%	0.412	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	125.3	179.1	-177.1	0	0	0	0	109.6	F534 C544 V546 H559	F534-V555 HydrophobicContact CD1-CG1 4.04Å; F534-V555 HydrophobicContact CE1-CG1 3.81Å; F534-V555 HydrophobicContact CE1-CG2 4.19Å; C544-V555 HydrophobicContact CB-CG2 4.01Å; V546-V555 HydrophobicContact CG2-CG2 4.04Å; V555-H559 WeakPolarHBondContact CA-O 2.92Å
556	N	93.5	Very high	93.3	Very high	92 Å²	92	67 Å²	67	49%	0.492	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	126.5	167.3	-176.5	16.1	0	0	0	109.8	Y554 R558 H559 L561	Y554-N556 HydrophobicContact CD2-CB 4.39Å; Y554-N556 HydrophobicContact CE2-CB 3.86Å; N556-R558 VanDerWaalsContact C-N 3.26Å; N556-R558 PolarHBondContact O-N 2.75Å; N556-R558 VanDerWaalsContact O-N 3.13Å; N556-H559 PolarHBondContact N-O 2.97Å; N556-H559 VanDerWaalsContact N-O 3.08Å; N556-H559 WeakPolarHBondContact O-CA 3.5Å; N556-H559 WeakPolarHBondContact O-CB 3.37Å; N556-H559 PolarHBondContact O-N 2.75Å; N556-L561 HydrophobicContact CB-CD1 3.98Å
557	A	90.3	Very high	93.3	Very high	79 Å²	79	65.8 Å²	65.8	65%	0.653	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	44.8	46.9	179.4	0	0	0	0	0	113.9	H559	A557-H559 PolarHBondContact O-N 2.72Å; A557-H559 PolarHBondContact O-ND1 2.83Å
558	R	91.4	Very high	93.4	Very high	147 Å²	147	65.4 Å²	65.4	56%	0.555	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.8	-0.1	-173.2	-57	176.6	167.9	-123.3	-7.6	117.1	C531 S532 Q533 F534 L535 N556	C531-R558 PolarHBondContact O-NH1 2.8Å; S532-R558 PolarHBondContact O-NH1 3.05Å; Q533-R558 PolarHBondContact O-NH1 2.84Å; F534-R558 CarbonylContact C-O 3.57Å; F534-R558 WeakPolarHBondContact CA-O 3.45Å; F534-R558 WeakPolarHBondContact CB-O 3.31Å; L535-R558 PolarHBondContact N-O 3.25Å; N556-R558 VanDerWaalsContact C-N 3.26Å; N556-R558 PolarHBondContact O-N 2.75Å; N556-R558 VanDerWaalsContact O-N 3.13Å
559	H	94.4	Very high	93.6	Very high	82 Å²	82	60.3 Å²	60.3	38%	0.38	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	135.3	175.3	-62.2	65.5	0	0	0	110.4	L535 V555 N556 A557 L561	L535-H559 CarbonylContact O-C 3.55Å; L535-H559 WeakPolarHBondContact O-CA 3.39Å; V555-H559 WeakPolarHBondContact CA-O 2.92Å; N556-H559 PolarHBondContact N-O 2.97Å; N556-H559 VanDerWaalsContact N-O 3.08Å; N556-H559 WeakPolarHBondContact O-CA 3.5Å; N556-H559 WeakPolarHBondContact O-CB 3.37Å; N556-H559 PolarHBondContact O-N 2.75Å; A557-H559 PolarHBondContact O-N 2.72Å; A557-H559 PolarHBondContact O-ND1 2.83Å; H559-L561 HydrophobicContact CB-CD2 4.2Å; H559-L561 HydrophobicContact CB-CG 4.11Å
560	C	96	Very high	93.9	Very high	7 Å²	7	60.9 Å²	60.9	5%	0.047	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	110.4	166.5	-52.6	0	0	0	0	108.6	L535 R536 C544 E553	L535-C560 PolarHBondContact O-N 3.29Å; R536-C560 HydrophobicContact CB-CB 4.16Å; C544-C560 WeakPolarHBondContact CA-SG 3.02Å; C544-C560 HydrophobicContact CB-CB 3.72Å; C544-C560 WeakPolarHBondContact CB-SG 3.35Å; C544-C560 WeakPolarHBondContact SG-CA 3.42Å; C544-C560 WeakPolarHBondContact SG-CB 3.48Å; C544-C560 CovalentContact SG-SG 2.04Å; C544-C560 PolarHBondContact SG-SG 3.3Å; E553-C560 WeakPolarHBondContact OE2-CB 3.13Å
561	L	95.7	Very high	94	Very high	55 Å²	55	62 Å²	62	29%	0.288	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	140.2	-177.5	-62.9	178.1	0	0	0	110	E553 Y554 N556 H559	E553-L561 CarbonylContact C-O 3.46Å; E553-L561 WeakPolarHBondContact CA-O 3.47Å; E553-L561 WeakPolarHBondContact CB-O 3.46Å; Y554-L561 HydrophobicContact CD1-CB 4.07Å; Y554-L561 WeakPolarHBondContact CD1-O 3.4Å; Y554-L561 HydrophobicContact CE1-CB 3.45Å; Y554-L561 VanDerWaalsContact CE1-CB 3.45Å; Y554-L561 HydrophobicContact CE2-CB 4.26Å; Y554-L561 HydrophobicContact CE2-CD1 4.19Å; Y554-L561 PolarHBondContact N-O 2.93Å; Y554-L561 PolarHBondContact O-N 2.83Å; Y554-L561 VanDerWaalsContact OH-CD1 3.31Å; Y554-L561 WeakPolarHBondContact OH-CD1 3.38Å; N556-L561 HydrophobicContact CB-CD1 3.98Å; H559-L561 HydrophobicContact CB-CD2 4.2Å; H559-L561 HydrophobicContact CB-CG 4.11Å
562	P	95.1	Very high	93.8	Very high	78 Å²	78	61.8 Å²	61.8	51%	0.506	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	143.9	-176.1	29	-35	0	0	0	111.9	R552 Y554	R552-P562 WeakPolarHBondContact O-CA 3.06Å; Y554-P562 WeakPolarHBondContact CE1-O 3.1Å
563	C	95.3	Very high	93.7	Very high	15 Å²	15	63.9 Å²	63.9	10%	0.101	37%	0.368	C	S	.	.	P	Polyproline II helix	trans	-64.8	157.1	164.7	-65.7	0	0	0	0	111.3	R552 C567 T575 C576	R552-C563 HydrophobicContact CB-CB 4.45Å; R552-C563 PolarHBondContact O-N 3.45Å; C563-C567 HydrophobicContact CB-CB 4.09Å; C563-T575 HydrophobicContact CB-CG2 4.49Å; C563-C576 WeakPolarHBondContact CA-SG 3.22Å; C563-C576 HydrophobicContact CB-CB 3.73Å; C563-C576 WeakPolarHBondContact CB-SG 3.34Å; C563-C576 WeakPolarHBondContact SG-CB 3.46Å; C563-C576 CovalentContact SG-SG 2.03Å; C563-C576 PolarHBondContact SG-SG 2.89Å
564	H	95.5	Very high	93.6	Very high	64 Å²	64	65.2 Å²	65.2	30%	0.296	38%	0.377	S	S	.	.	P	Polyproline II helix	trans	-55.6	141.7	169.7	-167.9	-103.7	0	0	0	111	E566 C567 A581	H564-E566 WeakPolarHBondContact ND1-CB 3.5Å; H564-E566 PolarHBondContact ND1-N 2.77Å; H564-E566 PolarHBondContact O-N 2.94Å; H564-E566 VanDerWaalsContact O-N 3.08Å; H564-C567 WeakPolarHBondContact O-CB 3.02Å; H564-C567 PolarHBondContact O-N 3.35Å; H564-C567 PolarHBondContact O-SG 3.01Å; H564-C567 VanDerWaalsContact O-SG 3.41Å; H564-A581 WeakPolarHBondContact ND1-CB 3.28Å
565	P	95.1	Very high	93.6	Very high	112 Å²	112	64 Å²	64	73%	0.727	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-26.9	-178.3	-28.6	36.7	0	0	0	114.9	C567	P565-C567 VanDerWaalsContact C-N 3.27Å; P565-C567 PolarHBondContact O-N 3.4Å
566	E	95	Very high	93.6	Very high	25 Å²	25	60.9 Å²	60.9	12%	0.117	35%	0.353	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.8	1.8	176.3	-60.4	-60.4	131.1	0	0	114.3	H564 C587 A588 H589 C596 A598	H564-E566 WeakPolarHBondContact ND1-CB 3.5Å; H564-E566 PolarHBondContact ND1-N 2.77Å; H564-E566 PolarHBondContact O-N 2.94Å; H564-E566 VanDerWaalsContact O-N 3.08Å; E566-C587 CarbonylContact O-C 3.51Å; E566-C587 WeakPolarHBondContact O-CA 3.29Å; E566-A588 WeakPolarHBondContact O-CB 3.23Å; E566-A588 PolarHBondContact O-N 3.04Å; E566-H589 IonicContact OE1-CE1 2.68Å; E566-H589 IonicContact OE1-ND1 2.81Å; E566-H589 IonicContact OE2-CE1 3.55Å; E566-H589 IonicContact OE2-CG 3.42Å; E566-H589 IonicContact OE2-ND1 2.72Å; E566-H589 PolarHBondContact OE2-ND1 2.89Å; E566-C596 HydrophobicContact CB-CB 3.73Å; E566-A598 WeakPolarHBondContact OE1-CB 3.37Å; E566-A598 WeakPolarHBondContact OE2-CA 3.44Å; E566-A598 PolarHBondContact OE2-N 3.37Å
567	C	95	Very high	93.7	Very high	8 Å²	8	63.5 Å²	63.5	5%	0.054	36%	0.361	C	S	.	.	B	Isolated β-bridge	trans	-82.6	116.1	175.1	-58.2	0	0	0	0	111.1	C563 H564 P565 P569 T575 C584	C563-C567 HydrophobicContact CB-CB 4.09Å; H564-C567 WeakPolarHBondContact O-CB 3.02Å; H564-C567 PolarHBondContact O-N 3.35Å; H564-C567 PolarHBondContact O-SG 3.01Å; H564-C567 VanDerWaalsContact O-SG 3.41Å; P565-C567 VanDerWaalsContact C-N 3.27Å; P565-C567 PolarHBondContact O-N 3.4Å; C567-P569 WeakPolarHBondContact O-CD 3.15Å; C567-T575 HydrophobicContact CB-CG2 3.77Å; C567-C584 WeakPolarHBondContact CA-SG 3.27Å; C567-C584 HydrophobicContact CB-CB 3.67Å; C567-C584 WeakPolarHBondContact CB-SG 3.39Å; C567-C584 PolarHBondContact N-SG 3.16Å; C567-C584 WeakPolarHBondContact SG-CA 3.2Å; C567-C584 WeakPolarHBondContact SG-CB 3.42Å; C567-C584 CovalentContact SG-SG 2.04Å; C567-C584 PolarHBondContact SG-SG 3.09Å
568	Q	93.7	Very high	93.8	Very high	91 Å²	91	59.9 Å²	59.9	43%	0.425	33%	0.331	S	S	.	.			trans	-66.7	123	179.1	-171.1	-167.7	44.8	0	0	111.2	Q570 T575 A586	Q568-Q570 PolarHBondContact O-N 3.06Å; Q568-Q570 VanDerWaalsContact O-N 3.14Å; Q568-Q570 PolarHBondContact O-NE2 3.19Å; Q568-T575 WeakPolarHBondContact O-CG2 3.29Å; Q568-A586 HydrophobicContact CB-CB 4.26Å; Q568-A586 PolarHBondContact N-O 3.38Å
569	P	94.1	Very high	93.9	Very high	62 Å²	62	56 Å²	56	40%	0.403	32%	0.324	S	S	.	.			trans	-59.9	114.8	-178.7	-26.9	36.2	0	0	0	114	L550 R552 C567 N571	L550-P569 HydrophobicContact CD2-CG 4.15Å; R552-P569 HydrophobicContact CG-CB 4.01Å; R552-P569 HydrophobicContact CG-CG 4.39Å; C567-P569 WeakPolarHBondContact O-CD 3.15Å; P569-N571 PolarHBondContact O-N 3.19Å
570	Q	93.3	Very high	93.9	Very high	45 Å²	45	57.2 Å²	57.2	21%	0.21	33%	0.33	C	S	.	.			trans	-88.8	102.7	-176.1	-61	-57.8	-60.4	0	0	111.2	R552 Q568 G572 S573 V574 T575 V585	R552-Q570 VanDerWaalsContact CZ-O 3.28Å; R552-Q570 PolarHBondContact NH1-O 2.87Å; R552-Q570 PolarHBondContact NH2-O 2.9Å; Q568-Q570 PolarHBondContact O-N 3.06Å; Q568-Q570 VanDerWaalsContact O-N 3.14Å; Q568-Q570 PolarHBondContact O-NE2 3.19Å; Q570-G572 PolarHBondContact O-N 3.06Å; Q570-S573 PolarHBondContact O-N 2.81Å; Q570-V574 WeakPolarHBondContact CB-O 3.46Å; Q570-V574 WeakPolarHBondContact CG-O 3.31Å; Q570-T575 PolarHBondContact N-OG1 2.71Å; Q570-V585 HydrophobicContact CG-CB 4.12Å; Q570-V585 HydrophobicContact CG-CG1 4.06Å
571	N	89.1	Confident	93.7	Very high	150 Å²	150	57.4 Å²	57.4	80%	0.802	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.5	121.9	-178.1	-71.7	-22.3	0	0	0	111.4	R552 P569 S573	R552-N571 PolarHBondContact NH2-OD1 2.92Å; R552-N571 VanDerWaalsContact NH2-OD1 3.16Å; P569-N571 PolarHBondContact O-N 3.19Å; N571-S573 VanDerWaalsContact C-N 3.32Å
572	G	87.1	Confident	93.6	Very high	71 Å²	71	57.7 Å²	57.7	73%	0.732	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.7	6.4	-175.7	0	0	0	0	0	115.2	Q570	Q570-G572 PolarHBondContact O-N 3.06Å
573	S	91.6	Very high	93.6	Very high	56 Å²	56	56.7 Å²	56.7	39%	0.392	32%	0.323	S	S	.	.	S	Bend	trans	-142.2	171.2	177.1	-167	0	0	0	0	111.7	L547 R552 Q570 N571	L547-S573 VanDerWaalsContact CD2-C 3.44Å; R552-S573 PolarHBondContact NH1-O 2.94Å; R552-S573 VanDerWaalsContact NH1-O 3.08Å; Q570-S573 PolarHBondContact O-N 2.81Å; N571-S573 VanDerWaalsContact C-N 3.32Å
574	V	94.2	Very high	93.5	Very high	38 Å²	38	56.5 Å²	56.5	23%	0.23	32%	0.322	C	S	.	.			trans	-66.5	143.3	171.7	60.1	0	0	0	0	110.4	V546 Q570 C576 F577 V585	V546-V574 HydrophobicContact CG1-CB 4.21Å; V546-V574 HydrophobicContact CG1-CG2 4.05Å; Q570-V574 WeakPolarHBondContact CB-O 3.46Å; Q570-V574 WeakPolarHBondContact CG-O 3.31Å; V574-C576 WeakPolarHBondContact CG2-O 3.25Å; V574-F577 HydrophobicContact CG1-CE1 3.81Å; V574-F577 HydrophobicContact CG1-CZ 3.93Å; V574-F577 HydrophobicContact CG2-CE1 4.44Å; V574-V585 HydrophobicContact CG1-CG2 4.32Å; V574-V585 WeakPolarHBondContact O-CG2 3.32Å
575	T	95.1	Very high	93.5	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	33%	0.326	C	S	.	.			trans	-98.4	-34.4	-177.9	-66.8	0	0	0	0	113.6	R552 C563 C567 Q568 Q570 V585	R552-T575 HydrophobicContact CB-CG2 3.84Å; R552-T575 HydrophobicContact CG-CG2 4.02Å; R552-T575 WeakPolarHBondContact CG-OG1 3.24Å; R552-T575 PolarHBondContact NH1-OG1 3.05Å; C563-T575 HydrophobicContact CB-CG2 4.49Å; C567-T575 HydrophobicContact CB-CG2 3.77Å; Q568-T575 WeakPolarHBondContact O-CG2 3.29Å; Q570-T575 PolarHBondContact N-OG1 2.71Å; T575-V585 PolarHBondContact O-N 2.9Å
576	C	95.3	Very high	93.4	Very high	1 Å²	1	52.6 Å²	52.6	1%	0.007	30%	0.303	C	S	.	.	B	Isolated β-bridge	trans	-148.5	158.7	177	68.1	0	0	0	0	110.6	C563 V574 G578 Q583	C563-C576 WeakPolarHBondContact CA-SG 3.22Å; C563-C576 HydrophobicContact CB-CB 3.73Å; C563-C576 WeakPolarHBondContact CB-SG 3.34Å; C563-C576 WeakPolarHBondContact SG-CB 3.46Å; C563-C576 CovalentContact SG-SG 2.03Å; C563-C576 PolarHBondContact SG-SG 2.89Å; V574-C576 WeakPolarHBondContact CG2-O 3.25Å; C576-G578 PolarHBondContact SG-O 2.77Å; C576-G578 VanDerWaalsContact SG-O 3.38Å; C576-Q583 CarbonylContact C-O 3.39Å; C576-Q583 VanDerWaalsContact CA-O 3.24Å; C576-Q583 WeakPolarHBondContact CA-O 3.39Å
577	F	94.9	Very high	93.3	Very high	148 Å²	148	52.7 Å²	52.7	65%	0.649	31%	0.307	S	S	*	.	S	Bend	trans	-101	-5.2	174.9	-60.2	-72.5	0	0	0	113.5	V574 Q583 V585	V574-F577 HydrophobicContact CG1-CE1 3.81Å; V574-F577 HydrophobicContact CG1-CZ 3.93Å; V574-F577 HydrophobicContact CG2-CE1 4.44Å; F577-Q583 PolarHBondContact N-O 3.46Å; F577-V585 HydrophobicContact CD2-CG2 4.32Å; F577-V585 HydrophobicContact CE2-CG2 3.63Å; F577-V585 HydrophobicContact CZ-CG2 4.01Å
578	G	93.6	Very high	93.3	Very high	3 Å²	3	54.3 Å²	54.3	3%	0.031	32%	0.32	C	S	.	.	S	Bend	trans	-176.1	-168.7	-179.9	0	0	0	0	0	112	C576 Q583	C576-G578 PolarHBondContact SG-O 2.77Å; C576-G578 VanDerWaalsContact SG-O 3.38Å; G578-Q583 VanDerWaalsContact C-OE1 3.31Å
579	P	93.3	Very high	93.2	Very high	64 Å²	64	55.3 Å²	55.3	42%	0.416	33%	0.325	S	S	.	.	S	Bend	trans	-85.2	-14.8	-168.7	32.7	-32.2	0	0	0	114.2	Y554 Q583	Y554-P579 HydrophobicContact CE1-CB 4Å; Y554-P579 WeakPolarHBondContact OH-CB 3.22Å; Y554-P579 VanDerWaalsContact OH-CD 3.28Å; Y554-P579 WeakPolarHBondContact OH-CD 3.33Å; Y554-P579 WeakPolarHBondContact OH-CG 3.37Å; P579-Q583 VanDerWaalsContact CD-OE1 3.29Å
580	E	93.7	Very high	93.1	Very high	108 Å²	108	56.4 Å²	56.4	51%	0.505	32%	0.322	S	S	.	.	S	Bend	trans	-90.9	158.4	-172.7	-68.9	-176.6	-127.7	0	0	113.3	D582 Q583	E580-D582 VanDerWaalsContact C-N 3.26Å; E580-D582 WeakPolarHBondContact CB-OD1 3.34Å; E580-D582 PolarHBondContact O-N 3Å; E580-Q583 PolarHBondContact O-N 3.01Å; E580-Q583 VanDerWaalsContact O-N 3.12Å
581	A	93	Very high	93	Very high	11 Å²	11	58.6 Å²	58.6	9%	0.091	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-12.9	-171.8	0	0	0	0	0	114.5	H564 F595 C596	H564-A581 WeakPolarHBondContact ND1-CB 3.28Å; A581-F595 HydrophobicContact CB-CB 4.1Å; A581-F595 HydrophobicContact CB-CD1 4.31Å; A581-C596 WeakPolarHBondContact O-CB 3.44Å; A581-C596 PolarHBondContact O-N 2.87Å; A581-C596 PolarHBondContact O-SG 2.85Å; A581-C596 VanDerWaalsContact O-SG 3.42Å
582	D	92.6	Very high	92.9	Very high	62 Å²	62	52.9 Å²	52.9	33%	0.332	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.4	-23	171.1	67	-35.8	0	0	0	112.4	E580 C584 P594 F595	E580-D582 VanDerWaalsContact C-N 3.26Å; E580-D582 WeakPolarHBondContact CB-OD1 3.34Å; E580-D582 PolarHBondContact O-N 3Å; D582-C584 VanDerWaalsContact C-N 3.31Å; D582-C584 PolarHBondContact O-N 2.95Å; D582-P594 HydrophobicContact CB-CB 4.12Å; D582-P594 HydrophobicContact CB-CG 4.45Å; D582-F595 HydrophobicContact CB-CD1 3.79Å; D582-F595 HydrophobicContact CB-CE1 4.12Å
583	Q	94.9	Very high	92.8	Very high	57 Å²	57	53.9 Å²	53.9	27%	0.266	29%	0.294	S	S	.	.	S	Bend	trans	-88	4.6	-176.6	-68.1	152.3	28.5	0	0	113.3	C576 F577 G578 P579 E580	C576-Q583 CarbonylContact C-O 3.39Å; C576-Q583 VanDerWaalsContact CA-O 3.24Å; C576-Q583 WeakPolarHBondContact CA-O 3.39Å; F577-Q583 PolarHBondContact N-O 3.46Å; G578-Q583 VanDerWaalsContact C-OE1 3.31Å; P579-Q583 VanDerWaalsContact CD-OE1 3.29Å; E580-Q583 PolarHBondContact O-N 3.01Å; E580-Q583 VanDerWaalsContact O-N 3.12Å
584	C	94.4	Very high	92.5	Very high	11 Å²	11	54.7 Å²	54.7	7%	0.074	30%	0.297	C	S	.	.	B	Isolated β-bridge	trans	-68.6	139.3	168	-58.3	0	0	0	0	111.5	C567 D582	C567-C584 WeakPolarHBondContact CA-SG 3.27Å; C567-C584 HydrophobicContact CB-CB 3.67Å; C567-C584 WeakPolarHBondContact CB-SG 3.39Å; C567-C584 PolarHBondContact N-SG 3.16Å; C567-C584 WeakPolarHBondContact SG-CA 3.2Å; C567-C584 WeakPolarHBondContact SG-CB 3.42Å; C567-C584 CovalentContact SG-SG 2.04Å; C567-C584 PolarHBondContact SG-SG 3.09Å; D582-C584 VanDerWaalsContact C-N 3.31Å; D582-C584 PolarHBondContact O-N 2.95Å
585	V	94.5	Very high	92.3	Very high	63 Å²	63	57.1 Å²	57.1	38%	0.382	31%	0.305	S	S	.	.	S	Bend	trans	-67.5	-38.3	173	172.8	0	0	0	0	111.5	Q570 V574 T575 F577	Q570-V585 HydrophobicContact CG-CB 4.12Å; Q570-V585 HydrophobicContact CG-CG1 4.06Å; V574-V585 HydrophobicContact CG1-CG2 4.32Å; V574-V585 WeakPolarHBondContact O-CG2 3.32Å; T575-V585 PolarHBondContact O-N 2.9Å; F577-V585 HydrophobicContact CD2-CG2 4.32Å; F577-V585 HydrophobicContact CE2-CG2 3.63Å; F577-V585 HydrophobicContact CZ-CG2 4.01Å
586	A	92.9	Very high	92.3	Very high	30 Å²	30	57.3 Å²	57.3	25%	0.248	31%	0.306	C	S	.	.	S	Bend	trans	-146.6	152.3	172.1	0	0	0	0	0	110.2	Q568	Q568-A586 HydrophobicContact CB-CB 4.26Å; Q568-A586 PolarHBondContact N-O 3.38Å
587	C	93.8	Very high	92.1	Very high	28 Å²	28	58.9 Å²	58.9	19%	0.189	32%	0.315	C	S	.	.	B	Isolated β-bridge	trans	-84.9	144	179.3	-53.8	0	0	0	0	111.3	E566 Y590 C596	E566-C587 CarbonylContact O-C 3.51Å; E566-C587 WeakPolarHBondContact O-CA 3.29Å; C587-Y590 WeakPolarHBondContact CB-O 3.48Å; C587-C596 WeakPolarHBondContact CA-SG 3.01Å; C587-C596 HydrophobicContact CB-CB 3.55Å; C587-C596 WeakPolarHBondContact CB-SG 3.4Å; C587-C596 WeakPolarHBondContact SG-CA 3.2Å; C587-C596 WeakPolarHBondContact SG-CB 3.44Å; C587-C596 CovalentContact SG-SG 2.03Å; C587-C596 PolarHBondContact SG-SG 2.8Å
588	A	93.3	Very high	92	Very high	42 Å²	42	54.5 Å²	54.5	35%	0.347	31%	0.307	S	S	.	.	S	Bend	trans	-76.5	-31.8	178.1	0	0	0	0	0	113.1	E566	E566-A588 WeakPolarHBondContact O-CB 3.23Å; E566-A588 PolarHBondContact O-N 3.04Å
589	H	92.3	Very high	91.7	Very high	112 Å²	112	63 Å²	63	52%	0.519	34%	0.338	S	S	.	.	S	Bend	trans	-122.2	-81.5	-179.4	-55.2	106.3	0	0	0	111.8	E566	E566-H589 IonicContact OE1-CE1 2.68Å; E566-H589 IonicContact OE1-ND1 2.81Å; E566-H589 IonicContact OE2-CE1 3.55Å; E566-H589 IonicContact OE2-CG 3.42Å; E566-H589 IonicContact OE2-ND1 2.72Å; E566-H589 PolarHBondContact OE2-ND1 2.89Å
590	Y	92.2	Very high	91.4	Very high	85 Å²	85	60.2 Å²	60.2	33%	0.333	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	167.4	-176.4	-53.3	-77	0	0	0	111.8	C587 C596 V597 A598 P617 G621	C587-Y590 WeakPolarHBondContact CB-O 3.48Å; Y590-C596 WeakPolarHBondContact O-CA 3.19Å; Y590-V597 WeakPolarHBondContact CB-O 3.32Å; Y590-V597 PolarHBondContact N-O 2.04Å; Y590-V597 PolarHBondContact O-N 3.08Å; Y590-A598 WeakPolarHBondContact CD2-O 3.2Å; Y590-P617 HydrophobicContact CD1-CB 3.51Å; Y590-P617 HydrophobicContact CD1-CG 4.26Å; Y590-P617 HydrophobicContact CE1-CB 3.5Å; Y590-P617 VanDerWaalsContact CE1-CB 3.5Å; Y590-P617 HydrophobicContact CE1-CG 3.81Å; Y590-P617 HydrophobicContact CG-CB 4.48Å; Y590-G621 CarbonylContact C-O 3.55Å; Y590-G621 VanDerWaalsContact CA-O 3.26Å; Y590-G621 WeakPolarHBondContact CA-O 3.44Å; Y590-G621 WeakPolarHBondContact CB-O 3.19Å
591	K	91.1	Very high	90.9	Very high	90 Å²	90	56.3 Å²	56.3	39%	0.391	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	119	175.8	-168.3	163.2	-171.7	157.5	0	111.5	P594 G621 A622 C623	K591-P594 WeakPolarHBondContact CE-O 3.1Å; K591-G621 PolarHBondContact N-O 3.43Å; K591-A622 CarbonylContact O-C 3.56Å; K591-A622 WeakPolarHBondContact O-CA 3.36Å; K591-C623 PolarHBondContact O-N 3.38Å
592	D	87.3	Confident	90.1	Very high	31 Å²	31	57.8 Å²	57.8	17%	0.166	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	96.3	169.8	-169.7	18.1	0	0	0	109.5	F595 V597 P601 K615 C623	D592-F595 CarbonylContact C-O 3.47Å; D592-F595 PolarHBondContact N-O 2.98Å; D592-F595 PolarHBondContact O-N 3.21Å; D592-F595 VanDerWaalsContact O-O 3.12Å; D592-V597 HydrophobicContact CB-CG1 4.11Å; D592-V597 HydrophobicContact CB-CG2 3.87Å; D592-P601 WeakPolarHBondContact OD2-CD 3.08Å; D592-P601 WeakPolarHBondContact OD2-CG 3.41Å; D592-K615 IonicContact OD1-NZ 3.05Å; D592-K615 PolarHBondContact OD1-NZ 3.04Å; D592-C623 HydrophobicContact CB-CB 3.92Å
593	P	84.8	Confident	89.1	Confident	92 Å²	92	56.1 Å²	56.1	60%	0.597	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.6	128	-162.8	-30.2	36.1	0	0	0	114.3
594	P	84.9	Confident	87.9	Confident	72 Å²	72	57 Å²	57	47%	0.468	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	cis	-84.9	-15.6	10	33.2	-36.7	0	0	0	116.4	D582 K591	D582-P594 HydrophobicContact CB-CB 4.12Å; D582-P594 HydrophobicContact CB-CG 4.45Å; K591-P594 WeakPolarHBondContact CE-O 3.1Å
595	F	91.2	Very high	86.6	Confident	90 Å²	90	63 Å²	63	40%	0.395	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	153.2	-161.2	-51	-75.6	0	0	0	115	A581 D582 D592	A581-F595 HydrophobicContact CB-CB 4.1Å; A581-F595 HydrophobicContact CB-CD1 4.31Å; D582-F595 HydrophobicContact CB-CD1 3.79Å; D582-F595 HydrophobicContact CB-CE1 4.12Å; D592-F595 CarbonylContact C-O 3.47Å; D592-F595 PolarHBondContact N-O 2.98Å; D592-F595 PolarHBondContact O-N 3.21Å; D592-F595 VanDerWaalsContact O-O 3.12Å
596	C	93.6	Very high	85.3	Confident	3 Å²	3	63.8 Å²	63.8	2%	0.02	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	136.7	163	-63	0	0	0	0	111.3	E566 A581 C587 Y590	E566-C596 HydrophobicContact CB-CB 3.73Å; A581-C596 WeakPolarHBondContact O-CB 3.44Å; A581-C596 PolarHBondContact O-N 2.87Å; A581-C596 PolarHBondContact O-SG 2.85Å; A581-C596 VanDerWaalsContact O-SG 3.42Å; C587-C596 WeakPolarHBondContact CA-SG 3.01Å; C587-C596 HydrophobicContact CB-CB 3.55Å; C587-C596 WeakPolarHBondContact CB-SG 3.4Å; C587-C596 WeakPolarHBondContact SG-CA 3.2Å; C587-C596 WeakPolarHBondContact SG-CB 3.44Å; C587-C596 CovalentContact SG-SG 2.03Å; C587-C596 PolarHBondContact SG-SG 2.8Å; Y590-C596 WeakPolarHBondContact O-CA 3.19Å
597	V	91.8	Very high	83.9	Confident	34 Å²	34	66.1 Å²	66.1	21%	0.206	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	142.7	-175.1	-61.7	0	0	0	0	112.6	Y590 D592 R599	Y590-V597 WeakPolarHBondContact CB-O 3.32Å; Y590-V597 PolarHBondContact N-O 2.04Å; Y590-V597 PolarHBondContact O-N 3.08Å; D592-V597 HydrophobicContact CB-CG1 4.11Å; D592-V597 HydrophobicContact CB-CG2 3.87Å; V597-R599 PolarHBondContact O-N 2.85Å
598	A	91.9	Very high	82.4	Confident	57 Å²	57	72.9 Å²	72.9	47%	0.471	39%	0.393	S	S	.	.	S	Bend	trans	-64.7	-23.6	177.1	0	0	0	0	0	113.8	E566 Y590	E566-A598 WeakPolarHBondContact OE1-CB 3.37Å; E566-A598 WeakPolarHBondContact OE2-CA 3.44Å; E566-A598 PolarHBondContact OE2-N 3.37Å; Y590-A598 WeakPolarHBondContact CD2-O 3.2Å
599	R	89.1	Confident	80.7	Confident	181 Å²	181	75.8 Å²	75.8	68%	0.683	41%	0.411	S	S	*	.	S	Bend	trans	-159	141.6	178.2	-170	175.3	-176.7	161.7	4.7	110.2	V597	V597-R599 PolarHBondContact O-N 2.85Å
600	C	86.5	Confident	79.2	Confident	5 Å²	5	77.7 Å²	77.7	3%	0.034	41%	0.414	C	S	.	.			trans	-61.5	142.7	173.7	-62.5	0	0	0	0	112.3	S602 K615 C623	C600-S602 PolarHBondContact O-N 3.45Å; C600-K615 HydrophobicContact CB-CB 4.08Å; C600-C623 WeakPolarHBondContact CA-SG 3.4Å; C600-C623 HydrophobicContact CB-CB 3.66Å; C600-C623 WeakPolarHBondContact CB-SG 3.02Å; C600-C623 WeakPolarHBondContact SG-CA 3.46Å; C600-C623 WeakPolarHBondContact SG-CB 3.07Å; C600-C623 CovalentContact SG-SG 2.04Å; C600-C623 PolarHBondContact SG-SG 3.24Å
601	P	82.9	Confident	77.9	Confident	27 Å²	27	81.2 Å²	81.2	18%	0.175	44%	0.436	C	S	.	.			trans	-63.1	121.7	-175.4	-21.9	29.6	0	0	0	114	D592 V604 I613 W614 K615	D592-P601 WeakPolarHBondContact OD2-CD 3.08Å; D592-P601 WeakPolarHBondContact OD2-CG 3.41Å; P601-V604 HydrophobicContact CB-CG1 4.41Å; P601-V604 HydrophobicContact CB-CG2 3.64Å; P601-I613 HydrophobicContact CB-CG2 4.46Å; P601-W614 CarbonylContact O-C 3.55Å; P601-W614 WeakPolarHBondContact O-CA 3.41Å; P601-K615 HydrophobicContact CG-CD 4.29Å; P601-K615 PolarHBondContact O-N 3.19Å
602	S	77.1	Confident	76.9	Confident	42 Å²	42	79.5 Å²	79.5	29%	0.294	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	106.8	-178.7	-69.4	0	0	0	0	111.3	C600 V604	C600-S602 PolarHBondContact O-N 3.45Å; S602-V604 VanDerWaalsContact C-N 3.31Å; S602-V604 PolarHBondContact O-N 2.04Å
603	G	70.2	Confident	76.2	Confident	27 Å²	27	81.1 Å²	81.1	28%	0.278	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	79.1	9.5	177.6	0	0	0	0	0	114.6	I613 W614	G603-I613 PolarHBondContact N-O 3.46Å; G603-W614 VanDerWaalsContact N-CE3 3.31Å
604	V	69.9	Low	75.9	Confident	74 Å²	74	80.1 Å²	80.1	45%	0.448	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	140.1	176.8	-58.9	0	0	0	0	110.5	P601 S602 P612 I613	P601-V604 HydrophobicContact CB-CG1 4.41Å; P601-V604 HydrophobicContact CB-CG2 3.64Å; S602-V604 VanDerWaalsContact C-N 3.31Å; S602-V604 PolarHBondContact O-N 2.04Å; V604-P612 CarbonylContact O-C 3.52Å; V604-P612 VanDerWaalsContact O-CA 3.27Å; V604-P612 WeakPolarHBondContact O-CA 3.29Å; V604-I613 HydrophobicContact CG2-CB 4.09Å; V604-I613 PolarHBondContact N-O 3Å; V604-I613 PolarHBondContact O-N 3.38Å
605	K	68.1	Low	75.7	Confident	138 Å²	138	78.6 Å²	78.6	60%	0.6	41%	0.412	S	S	*	.			trans	-102.2	116.1	174.5	-67.1	-176.6	178.6	-176.1	0	109.4	D607 P612	K605-D607 PolarHBondContact O-N 3.44Å; K605-P612 HydrophobicContact CG-CB 4.5Å; K605-P612 HydrophobicContact CG-CG 4.27Å
606	P	66.2	Low	75.3	Confident	79 Å²	79	77.7 Å²	77.7	51%	0.513	41%	0.408	S	S	.	.	S	Bend	trans	-58.9	-31.7	176.3	-28	35.3	0	0	0	114.2	Y610 I613	P606-Y610 HydrophobicContact CB-CD1 4.49Å; P606-Y610 HydrophobicContact CG-CD1 4.05Å; P606-I613 HydrophobicContact CG-CD1 3.49Å; P606-I613 VanDerWaalsContact CG-CD1 3.49Å; P606-I613 HydrophobicContact CG-CG1 3.82Å
607	D	63.6	Low	74.9	Confident	80 Å²	80	79.6 Å²	79.6	43%	0.428	42%	0.421	S	S	.	.	S	Bend	trans	-148.8	163.8	175.3	169.8	54.1	0	0	0	109.5	K605 S609 Y610	K605-D607 PolarHBondContact O-N 3.44Å; D607-S609 PolarHBondContact O-N 3.17Å; D607-S609 VanDerWaalsContact O-N 3.12Å; D607-S609 VanDerWaalsContact OD2-CB 3.28Å; D607-S609 WeakPolarHBondContact OD2-CB 3.07Å; D607-S609 PolarHBondContact OD2-N 2.87Å; D607-S609 PolarHBondContact OD2-OG 2.94Å; D607-Y610 PolarHBondContact O-N 3.07Å; D607-Y610 VanDerWaalsContact O-N 3.13Å
608	L	63.4	Low	74.6	Confident	170 Å²	170	79.8 Å²	79.8	89%	0.89	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.6	-29.3	172.4	-72.3	165.9	0	0	0	113.7
609	S	57	Low	74.3	Confident	102 Å²	102	86.2 Å²	86.2	71%	0.713	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.1	-11.9	-179.3	70.1	0	0	0	0	115.5	D607	D607-S609 PolarHBondContact O-N 3.17Å; D607-S609 VanDerWaalsContact O-N 3.12Å; D607-S609 VanDerWaalsContact OD2-CB 3.28Å; D607-S609 WeakPolarHBondContact OD2-CB 3.07Å; D607-S609 PolarHBondContact OD2-N 2.87Å; D607-S609 PolarHBondContact OD2-OG 2.94Å
610	Y	60.9	Low	74	Confident	153 Å²	153	85.6 Å²	85.6	60%	0.6	45%	0.446	S	S	*	.	S	Bend	trans	-92.4	155	-165.8	-139.8	-96.3	0	0	0	113.8	P606 D607	P606-Y610 HydrophobicContact CB-CD1 4.49Å; P606-Y610 HydrophobicContact CG-CD1 4.05Å; D607-Y610 PolarHBondContact O-N 3.07Å; D607-Y610 VanDerWaalsContact O-N 3.13Å
611	M	65.2	Low	73.8	Confident	158 Å²	158	86.1 Å²	86.1	78%	0.778	45%	0.452	S	S	*	.	P	Polyproline II helix	trans	-63.2	143.2	172.4	-83.4	-175.6	154.3	0	0	111.1	I613	M611-I613 PolarHBondContact O-N 2.99Å
612	P	69.3	Low	74.1	Confident	54 Å²	54	86 Å²	86	35%	0.351	45%	0.454	S	S	.	.	P	Polyproline II helix	trans	-62.4	128.4	174.6	-19.3	31.6	0	0	0	111.2	V604 K605	V604-P612 CarbonylContact O-C 3.52Å; V604-P612 VanDerWaalsContact O-CA 3.27Å; V604-P612 WeakPolarHBondContact O-CA 3.29Å; K605-P612 HydrophobicContact CG-CB 4.5Å; K605-P612 HydrophobicContact CG-CG 4.27Å
613	I	73.6	Confident	74.6	Confident	66 Å²	66	84.2 Å²	84.2	34%	0.338	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	131	172.2	-65.4	-177.2	0	0	0	108.6	P601 G603 V604 P606 M611 K615	P601-I613 HydrophobicContact CB-CG2 4.46Å; G603-I613 PolarHBondContact N-O 3.46Å; V604-I613 HydrophobicContact CG2-CB 4.09Å; V604-I613 PolarHBondContact N-O 3Å; V604-I613 PolarHBondContact O-N 3.38Å; P606-I613 HydrophobicContact CG-CD1 3.49Å; P606-I613 VanDerWaalsContact CG-CD1 3.49Å; P606-I613 HydrophobicContact CG-CG1 3.82Å; M611-I613 PolarHBondContact O-N 2.99Å; I613-K615 HydrophobicContact CG2-CD 4.34Å; I613-K615 HydrophobicContact CG2-CG 3.99Å
614	W	77.5	Confident	75.3	Confident	70 Å²	70	86.9 Å²	86.9	27%	0.265	45%	0.446	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	124.8	170.3	-60.6	93.9	0	0	0	109	P601 G603 C626	P601-W614 CarbonylContact O-C 3.55Å; P601-W614 WeakPolarHBondContact O-CA 3.41Å; G603-W614 VanDerWaalsContact N-CE3 3.31Å; W614-C626 HydrophobicContact CB-CB 3.94Å; W614-C626 VanDerWaalsContact CB-SG 3.52Å; W614-C626 PolarHBondContact O-N 3.37Å
615	K	82	Confident	75.9	Confident	40 Å²	40	87.3 Å²	87.3	17%	0.174	45%	0.451	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	147.9	176.3	-71.4	-176.1	160.8	-142.4	0	110.4	D592 C600 P601 I613 C623 Q624	D592-K615 IonicContact OD1-NZ 3.05Å; D592-K615 PolarHBondContact OD1-NZ 3.04Å; C600-K615 HydrophobicContact CB-CB 4.08Å; P601-K615 HydrophobicContact CG-CD 4.29Å; P601-K615 PolarHBondContact O-N 3.19Å; I613-K615 HydrophobicContact CG2-CD 4.34Å; I613-K615 HydrophobicContact CG2-CG 3.99Å; K615-C623 HydrophobicContact CB-CB 4.22Å; K615-C623 HydrophobicContact CD-CB 3.98Å; K615-C623 WeakPolarHBondContact CD-O 3.47Å; K615-C623 PolarHBondContact NZ-O 2.89Å; K615-Q624 CarbonylContact C-O 3.56Å; K615-Q624 WeakPolarHBondContact CA-O 3.49Å; K615-Q624 WeakPolarHBondContact CB-O 3.07Å
616	F	81.9	Confident	76.1	Confident	71 Å²	71	81.4 Å²	81.4	31%	0.311	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	151.3	173.3	68.1	-75.8	0	0	0	109.1	C623 Q624 C634 V635	F616-C623 CarbonylContact O-C 3.57Å; F616-C623 WeakPolarHBondContact O-CA 3.47Å; F616-Q624 HydrophobicContact CD1-CB 4.27Å; F616-Q624 VanDerWaalsContact CD1-O 3.31Å; F616-Q624 WeakPolarHBondContact CD1-O 3.15Å; F616-Q624 HydrophobicContact CE1-CB 3.74Å; F616-Q624 HydrophobicContact CE2-CB 4.39Å; F616-Q624 HydrophobicContact CZ-CB 3.81Å; F616-Q624 PolarHBondContact N-O 3.47Å; F616-Q624 PolarHBondContact O-N 2.98Å; F616-C634 WeakPolarHBondContact CD1-SG 3.17Å; F616-V635 HydrophobicContact CB-CG2 4.16Å
617	P	85.7	Confident	76.3	Confident	43 Å²	43	81.9 Å²	81.9	28%	0.279	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	139.2	170.3	31.5	-33.3	0	0	0	110.4	Y590 A622	Y590-P617 HydrophobicContact CD1-CB 3.51Å; Y590-P617 HydrophobicContact CD1-CG 4.26Å; Y590-P617 HydrophobicContact CE1-CB 3.5Å; Y590-P617 VanDerWaalsContact CE1-CB 3.5Å; Y590-P617 HydrophobicContact CE1-CG 3.81Å; Y590-P617 HydrophobicContact CG-CB 4.48Å; P617-A622 WeakPolarHBondContact CA-O 3.4Å
618	D	85.6	Confident	76.2	Confident	39 Å²	39	86.4 Å²	86.4	21%	0.209	45%	0.452	C	S	.	.			trans	-81	178.6	160.4	55.1	31.7	0	0	0	111.7	E620 G621 A622 Q624	D618-E620 PolarHBondContact O-N 2.67Å; D618-E620 PolarHBondContact OD1-N 2.9Å; D618-G621 PolarHBondContact O-N 3.46Å; D618-G621 PolarHBondContact OD1-N 2.89Å; D618-A622 PolarHBondContact N-O 3.49Å; D618-A622 WeakPolarHBondContact OD1-CA 3.36Å; D618-A622 PolarHBondContact OD1-N 3.1Å; D618-Q624 HydrophobicContact CB-CG 4.07Å; D618-Q624 VanDerWaalsContact OD2-CG 3.24Å; D618-Q624 WeakPolarHBondContact OD2-CG 3.31Å; D618-Q624 PolarHBondContact OD2-NE2 3.26Å
619	E	83.9	Confident	75.9	Confident	192 Å²	192	85.6 Å²	85.6	90%	0.897	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-26.7	179.4	-58.6	-69.4	163.2	0	0	111.9	G621	E619-G621 VanDerWaalsContact C-N 3.29Å
620	E	82.7	Confident	75.5	Confident	167 Å²	167	82.5 Å²	82.5	78%	0.78	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.3	-2.9	173.4	-65.8	76.2	-166.5	0	0	113.7	D618	D618-E620 PolarHBondContact O-N 2.67Å; D618-E620 PolarHBondContact OD1-N 2.9Å
621	G	84.1	Confident	75.3	Confident	16 Å²	16	81.3 Å²	81.3	17%	0.165	44%	0.435	C	S	.	.	S	Bend	trans	79	11.9	178	0	0	0	0	0	115.1	Y590 K591 D618 E619	Y590-G621 CarbonylContact C-O 3.55Å; Y590-G621 VanDerWaalsContact CA-O 3.26Å; Y590-G621 WeakPolarHBondContact CA-O 3.44Å; Y590-G621 WeakPolarHBondContact CB-O 3.19Å; K591-G621 PolarHBondContact N-O 3.43Å; D618-G621 PolarHBondContact O-N 3.46Å; D618-G621 PolarHBondContact OD1-N 2.89Å; E619-G621 VanDerWaalsContact C-N 3.29Å
622	A	88.8	Confident	74.8	Confident	26 Å²	26	77.3 Å²	77.3	22%	0.215	41%	0.414	C	S	.	.	B	Isolated β-bridge	trans	-88.6	143.4	175.3	0	0	0	0	0	112	K591 P617 D618 Q624	K591-A622 CarbonylContact O-C 3.56Å; K591-A622 WeakPolarHBondContact O-CA 3.36Å; P617-A622 WeakPolarHBondContact CA-O 3.4Å; D618-A622 PolarHBondContact N-O 3.49Å; D618-A622 WeakPolarHBondContact OD1-CA 3.36Å; D618-A622 PolarHBondContact OD1-N 3.1Å; A622-Q624 PolarHBondContact O-N 3.39Å
623	C	87.4	Confident	74.3	Confident	4 Å²	4	76.5 Å²	76.5	3%	0.027	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	94	-172.3	-62.5	0	0	0	0	112.6	K591 D592 C600 K615 F616	K591-C623 PolarHBondContact O-N 3.38Å; D592-C623 HydrophobicContact CB-CB 3.92Å; C600-C623 WeakPolarHBondContact CA-SG 3.4Å; C600-C623 HydrophobicContact CB-CB 3.66Å; C600-C623 WeakPolarHBondContact CB-SG 3.02Å; C600-C623 WeakPolarHBondContact SG-CA 3.46Å; C600-C623 WeakPolarHBondContact SG-CB 3.07Å; C600-C623 CovalentContact SG-SG 2.04Å; C600-C623 PolarHBondContact SG-SG 3.24Å; K615-C623 HydrophobicContact CB-CB 4.22Å; K615-C623 HydrophobicContact CD-CB 3.98Å; K615-C623 WeakPolarHBondContact CD-O 3.47Å; K615-C623 PolarHBondContact NZ-O 2.89Å; F616-C623 CarbonylContact O-C 3.57Å; F616-C623 WeakPolarHBondContact O-CA 3.47Å
624	Q	85.2	Confident	73.7	Confident	83 Å²	83	74.2 Å²	74.2	39%	0.388	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	144	179	-58.5	-58.7	-17.7	0	0	112.2	K615 F616 D618 A622	K615-Q624 CarbonylContact C-O 3.56Å; K615-Q624 WeakPolarHBondContact CA-O 3.49Å; K615-Q624 WeakPolarHBondContact CB-O 3.07Å; F616-Q624 HydrophobicContact CD1-CB 4.27Å; F616-Q624 VanDerWaalsContact CD1-O 3.31Å; F616-Q624 WeakPolarHBondContact CD1-O 3.15Å; F616-Q624 HydrophobicContact CE1-CB 3.74Å; F616-Q624 HydrophobicContact CE2-CB 4.39Å; F616-Q624 HydrophobicContact CZ-CB 3.81Å; F616-Q624 PolarHBondContact N-O 3.47Å; F616-Q624 PolarHBondContact O-N 2.98Å; D618-Q624 HydrophobicContact CB-CG 4.07Å; D618-Q624 VanDerWaalsContact OD2-CG 3.24Å; D618-Q624 WeakPolarHBondContact OD2-CG 3.31Å; D618-Q624 PolarHBondContact OD2-NE2 3.26Å; A622-Q624 PolarHBondContact O-N 3.39Å
625	P	81.5	Confident	72.8	Confident	83 Å²	83	74.1 Å²	74.1	54%	0.539	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	134.5	177.4	29.4	-34.1	0	0	0	112.3
626	C	73.6	Confident	71.4	Confident	13 Å²	13	78.2 Å²	78.2	9%	0.088	43%	0.431	C	S	.	.	P	Polyproline II helix	trans	-60.2	146.6	169.9	-64.8	0	0	0	0	110.7	W614 I628 C634	W614-C626 HydrophobicContact CB-CB 3.94Å; W614-C626 VanDerWaalsContact CB-SG 3.52Å; W614-C626 PolarHBondContact O-N 3.37Å; C626-I628 PolarHBondContact O-N 3.16Å; C626-C634 HydrophobicContact CB-CB 3.78Å; C626-C634 WeakPolarHBondContact CB-SG 3.32Å; C626-C634 WeakPolarHBondContact SG-CB 3.15Å; C626-C634 CovalentContact SG-SG 2.04Å; C626-C634 PolarHBondContact SG-SG 3.07Å
627	P	69.9	Low	70.2	Confident	90 Å²	90	79.2 Å²	79.2	58%	0.584	44%	0.438	S	S	*	.	P	Polyproline II helix	trans	-55.8	135.8	174	-26.7	35.8	0	0	0	113	N629 C630	P627-N629 PolarHBondContact O-N 3.04Å; P627-C630 WeakPolarHBondContact O-CB 3.31Å; P627-C630 PolarHBondContact O-N 2.84Å; P627-C630 PolarHBondContact O-SG 3.45Å; P627-C630 VanDerWaalsContact O-SG 3.34Å
628	I	60.9	Low	68.6	Low	175 Å²	175	81.2 Å²	81.2	90%	0.897	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	0.4	-166.3	59	174.3	0	0	0	117.3	C626	C626-I628 PolarHBondContact O-N 3.16Å
629	N	57.8	Low	67.1	Low	152 Å²	152	88 Å²	88	81%	0.813	48%	0.483	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.8	-7.7	172.3	-77.7	-7.7	0	0	0	113.4	P627 T631	P627-N629 PolarHBondContact O-N 3.04Å; N629-T631 PolarHBondContact O-N 3.42Å
630	C	49	Very low	65.5	Low	37 Å²	37	87.3 Å²	87.3	25%	0.25	48%	0.477	C	S	.	.			trans	-78.3	108.4	-176.8	-63.2	0	0	0	0	111.8	P627 H632	P627-C630 WeakPolarHBondContact O-CB 3.31Å; P627-C630 PolarHBondContact O-N 2.84Å; P627-C630 PolarHBondContact O-SG 3.45Å; P627-C630 VanDerWaalsContact O-SG 3.34Å; C630-H632 WeakPolarHBondContact CB-O 3.32Å; C630-H632 PolarHBondContact O-N 2.97Å
631	T	55.5	Low	63.9	Low	128 Å²	128	81.6 Å²	81.6	79%	0.785	46%	0.464	S	S	*	.	S	Bend	trans	-81.2	5.4	169.1	51.4	0	0	0	0	113.3	N629	N629-T631 PolarHBondContact O-N 3.42Å
632	H	55.5	Low	62	Low	74 Å²	74	84 Å²	84	34%	0.343	48%	0.477	S	S	.	.	S	Bend	trans	-151.1	166.1	-166.7	42.7	-92.9	0	0	0	109.3	C630 C634 P643	C630-H632 WeakPolarHBondContact CB-O 3.32Å; C630-H632 PolarHBondContact O-N 2.97Å; H632-C634 PolarHBondContact O-N 3.44Å; H632-P643 VanDerWaalsContact CD2-CG 3.44Å; H632-P643 WeakPolarHBondContact CD2-CG 3.37Å; H632-P643 WeakPolarHBondContact NE2-CG 3.29Å
633	S	57.4	Low	59.9	Low	37 Å²	37	85.9 Å²	85.9	26%	0.259	49%	0.487	S	S	.	.			trans	-51.7	134.5	177.6	-178.3	0	0	0	0	112.4	V635	S633-V635 VanDerWaalsContact C-N 3.33Å; S633-V635 WeakPolarHBondContact OG-CB 3.38Å; S633-V635 PolarHBondContact OG-N 3.29Å; S633-V635 VanDerWaalsContact OG-N 3.15Å
634	C	62.3	Low	57.9	Low	18 Å²	18	90 Å²	90	12%	0.122	52%	0.521	C	S	.	.	S	Bend	trans	-92.2	11.5	169.3	73.2	0	0	0	0	113.6	F616 C626 H632	F616-C634 WeakPolarHBondContact CD1-SG 3.17Å; C626-C634 HydrophobicContact CB-CB 3.78Å; C626-C634 WeakPolarHBondContact CB-SG 3.32Å; C626-C634 WeakPolarHBondContact SG-CB 3.15Å; C626-C634 CovalentContact SG-SG 2.04Å; C626-C634 PolarHBondContact SG-SG 3.07Å; H632-C634 PolarHBondContact O-N 3.44Å
635	V	57.6	Low	55.8	Low	68 Å²	68	94.6 Å²	94.6	41%	0.412	54%	0.543	S	S	.	.	S	Bend	trans	-91.6	-15.7	-174.9	-173.3	0	0	0	0	113.2	F616 S633	F616-V635 HydrophobicContact CB-CG2 4.16Å; S633-V635 VanDerWaalsContact C-N 3.33Å; S633-V635 WeakPolarHBondContact OG-CB 3.38Å; S633-V635 PolarHBondContact OG-N 3.29Å; S633-V635 VanDerWaalsContact OG-N 3.15Å
636	D	54.2	Low	53.8	Low	127 Å²	127	99.6 Å²	99.6	68%	0.679	56%	0.559	S	S	*	*	S	Bend	trans	-124	95.8	173.4	-78.9	-64.9	0	0	0	109.4
637	L	55.5	Low	52	Low	91 Å²	91	110.2 Å²	110.2	48%	0.476	60%	0.597	S	S	.	*			trans	-127.5	137.7	176.4	-66.3	174.9	0	0	0	109.7
638	D	52.2	Low	50.4	Low	86 Å²	86	110.7 Å²	110.7	46%	0.46	61%	0.609	S	S	.	*			trans	-78.8	177.6	172.7	76.2	-10.5	0	0	0	112.6	K640 G641 C642	D638-K640 PolarHBondContact O-N 3.37Å; D638-K640 VanDerWaalsContact OD1-C 3.3Å; D638-K640 WeakPolarHBondContact OD1-CA 3.44Å; D638-K640 WeakPolarHBondContact OD1-CB 3.43Å; D638-K640 PolarHBondContact OD1-N 3.23Å; D638-G641 PolarHBondContact O-N 2.62Å; D638-G641 PolarHBondContact OD1-N 2.93Å; D638-C642 PolarHBondContact N-O 3.21Å; D638-C642 PolarHBondContact OD1-N 3.01Å
639	D	55	Low	49.7	Very low	181 Å²	181	106.8 Å²	106.8	97%	0.968	60%	0.597	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57	1.4	174	-73.2	-39.8	0	0	0	114.6
640	K	48.6	Very low	48.9	Very low	177 Å²	177	105.6 Å²	105.6	77%	0.77	60%	0.598	S	S	*	*	T	Hydrogen-bonded Turn	trans	-126	4.6	179.6	-63.1	173.6	-175.9	167.7	0	113	D638	D638-K640 PolarHBondContact O-N 3.37Å; D638-K640 VanDerWaalsContact OD1-C 3.3Å; D638-K640 WeakPolarHBondContact OD1-CA 3.44Å; D638-K640 WeakPolarHBondContact OD1-CB 3.43Å; D638-K640 PolarHBondContact OD1-N 3.23Å
641	G	49.7	Very low	48.7	Very low	48 Å²	48	110.7 Å²	110.7	50%	0.495	62%	0.622	S	S	.	*	S	Bend	trans	71.4	28.3	179.8	0	0	0	0	0	113.9	D638	D638-G641 PolarHBondContact O-N 2.62Å; D638-G641 PolarHBondContact OD1-N 2.93Å
642	C	44.1	Very low	48.5	Very low	66 Å²	66	109.3 Å²	109.3	45%	0.446	61%	0.613	S	S	.	*			trans	-108	137.3	179.8	-68.3	0	0	0	0	112.1	D638	D638-C642 PolarHBondContact N-O 3.21Å; D638-C642 PolarHBondContact OD1-N 3.01Å
643	P	46.2	Very low	48.2	Very low	65 Å²	65	110.6 Å²	110.6	42%	0.422	63%	0.63	S	S	.	*			trans	-70	141.1	171.6	-17.4	31.2	0	0	0	112.2	H632 E645	H632-P643 VanDerWaalsContact CD2-CG 3.44Å; H632-P643 WeakPolarHBondContact CD2-CG 3.37Å; H632-P643 WeakPolarHBondContact NE2-CG 3.29Å; P643-E645 PolarHBondContact O-N 3.2Å; P643-E645 VanDerWaalsContact O-N 3.15Å
644	A	43.4	Very low	48.1	Very low	91 Å²	91	115.3 Å²	115.3	75%	0.752	65%	0.651	S	S	*	*			trans	-71	107.1	180	0	0	0	0	0	112.5	Q646	A644-Q646 PolarHBondContact O-N 3.48Å
645	E	41.7	Very low	47.8	Very low	180 Å²	180	119.1 Å²	119.1	84%	0.841	67%	0.67	S	S	*	*			trans	-71.1	97.6	-176.8	-165.3	179.9	-130.5	0	0	112.3	P643 R647	P643-E645 PolarHBondContact O-N 3.2Å; P643-E645 VanDerWaalsContact O-N 3.15Å; E645-R647 PolarHBondContact O-N 3.01Å; E645-R647 VanDerWaalsContact O-N 3.07Å
646	Q	39.2	Very low	47.7	Very low	187 Å²	187	119.3 Å²	119.3	87%	0.874	67%	0.674	S	S	*	*			trans	-69	105.1	175.7	-73.9	-166.2	-4.9	0	0	111.4	A644 A648	A644-Q646 PolarHBondContact O-N 3.48Å; Q646-A648 PolarHBondContact O-N 3.21Å
647	R	37.1	Very low	48	Very low	236 Å²	236	116 Å²	116	89%	0.891	66%	0.664	S	S	*	*			trans	-59.7	104.9	178.6	-70.2	176.5	172.6	162.6	-2.1	112.6	E645 S649	E645-R647 PolarHBondContact O-N 3.01Å; E645-R647 VanDerWaalsContact O-N 3.07Å; R647-S649 PolarHBondContact O-N 2.76Å
648	A	36.1	Very low	48.5	Very low	100 Å²	100	115.5 Å²	115.5	83%	0.826	67%	0.665	S	S	*	*			trans	-67.9	127.2	165.6	0	0	0	0	0	110.7	Q646	Q646-A648 PolarHBondContact O-N 3.21Å
649	S	45	Very low	49.3	Very low	94 Å²	94	114.8 Å²	114.8	66%	0.657	66%	0.663	S	S	*	*			trans	-84.9	146.2	-179.2	54.5	0	0	0	0	112.5	R647 L651	R647-S649 PolarHBondContact O-N 2.76Å; S649-L651 PolarHBondContact O-N 2.76Å
650	P	41.7	Very low	50.2	Low	127 Å²	127	107.6 Å²	107.6	83%	0.825	63%	0.632	S	S	*	*	S	Bend	trans	-82.6	79.6	-169.2	33.1	-36.8	0	0	0	113.1
651	L	45	Very low	51.6	Low	144 Å²	144	104.8 Å²	104.8	75%	0.754	62%	0.624	S	S	*	*			trans	-130.1	2.3	168.9	-128	91	0	0	0	114.5	S649 S653	S649-L651 PolarHBondContact O-N 2.76Å; L651-S653 VanDerWaalsContact C-N 3.34Å; L651-S653 PolarHBondContact O-N 3.32Å
652	T	50.8	Low	52.9	Low	98 Å²	98	107.3 Å²	107.3	60%	0.601	63%	0.626	S	S	*	*	H	α-helix	trans	-76.1	-10.3	-166.3	48.2	0	0	0	0	115.8	I654 I655 S656	T652-I654 PolarHBondContact O-N 3.12Å; T652-I655 PolarHBondContact O-N 2.76Å; T652-S656 WeakPolarHBondContact O-CB 3.46Å; T652-S656 PolarHBondContact O-N 2.89Å; T652-S656 PolarHBondContact O-OG 3.49Å
653	S	49.9	Very low	54.7	Low	101 Å²	101	108.6 Å²	108.6	71%	0.706	63%	0.628	S	S	*	*	H	α-helix	trans	-72.1	-20.1	-169.9	-156.2	0	0	0	0	115.5	L651 S656	L651-S653 VanDerWaalsContact C-N 3.34Å; L651-S653 PolarHBondContact O-N 3.32Å; S653-S656 PolarHBondContact O-OG 2.71Å; S653-S656 VanDerWaalsContact O-OG 3.07Å
654	I	53.9	Low	56.3	Low	137 Å²	137	110.5 Å²	110.5	70%	0.703	64%	0.638	S	S	*	*	H	α-helix	trans	-92.6	-37.2	173.1	-59.1	177.2	0	0	0	110.2	T652 S656 A657 V658	T652-I654 PolarHBondContact O-N 3.12Å; I654-S656 VanDerWaalsContact C-N 3.31Å; I654-S656 PolarHBondContact O-N 3.47Å; I654-A657 PolarHBondContact O-N 2.68Å; I654-V658 PolarHBondContact O-N 2.83Å
655	I	56.3	Low	58.1	Low	98 Å²	98	110.1 Å²	110.1	50%	0.503	63%	0.626	S	S	.	*	H	α-helix	trans	-63.7	-37.3	177.1	-62.5	172.6	0	0	0	110.5	T652 A657 V658 V659	T652-I655 PolarHBondContact O-N 2.76Å; I655-A657 VanDerWaalsContact C-N 3.29Å; I655-A657 PolarHBondContact O-N 2.76Å; I655-V658 PolarHBondContact O-N 3.07Å; I655-V659 HydrophobicContact CG2-CG2 3.7Å; I655-V659 VanDerWaalsContact O-CB 3.27Å; I655-V659 WeakPolarHBondContact O-CB 3.32Å; I655-V659 VanDerWaalsContact O-CG2 3.29Å; I655-V659 WeakPolarHBondContact O-CG2 3.5Å; I655-V659 PolarHBondContact O-N 3.34Å
656	S	55.2	Low	60.1	Low	71 Å²	71	105.2 Å²	105.2	50%	0.497	61%	0.608	S	S	.	*	H	α-helix	trans	-59.5	-34.7	177.7	60.4	0	0	0	0	113.7	T652 S653 I654 G660	T652-S656 WeakPolarHBondContact O-CB 3.46Å; T652-S656 PolarHBondContact O-N 2.89Å; T652-S656 PolarHBondContact O-OG 3.49Å; S653-S656 PolarHBondContact O-OG 2.71Å; S653-S656 VanDerWaalsContact O-OG 3.07Å; I654-S656 VanDerWaalsContact C-N 3.31Å; I654-S656 PolarHBondContact O-N 3.47Å; S656-G660 WeakPolarHBondContact O-CA 3.46Å; S656-G660 PolarHBondContact O-N 3.12Å
657	A	60.4	Low	62.1	Low	57 Å²	57	101.2 Å²	101.2	47%	0.471	59%	0.592	S	S	.	*	H	α-helix	trans	-71.5	-45.2	175.9	0	0	0	0	0	111.8	I654 I655 G660 I661	I654-A657 PolarHBondContact O-N 2.68Å; I655-A657 VanDerWaalsContact C-N 3.29Å; I655-A657 PolarHBondContact O-N 2.76Å; A657-G660 PolarHBondContact O-N 3.08Å; A657-I661 WeakPolarHBondContact O-CG1 3.34Å; A657-I661 PolarHBondContact O-N 3.29Å
658	V	67.8	Low	64.3	Low	82 Å²	82	92.2 Å²	92.2	50%	0.497	57%	0.573	S	S	.	*	H	α-helix	trans	-67.1	-44.2	178.3	179.1	0	0	0	0	111.1	I654 I655 G660 I661 L662	I654-V658 PolarHBondContact O-N 2.83Å; I655-V658 PolarHBondContact O-N 3.07Å; V658-G660 VanDerWaalsContact C-N 3.33Å; V658-I661 PolarHBondContact O-N 3.2Å; V658-L662 HydrophobicContact CG1-CD1 4.37Å; V658-L662 WeakPolarHBondContact O-CB 3.22Å; V658-L662 PolarHBondContact O-N 2.98Å
659	V	69.2	Low	66.5	Low	70 Å²	70	91.4 Å²	91.4	42%	0.424	56%	0.557	S	S	.	*	H	α-helix	trans	-64.8	-36.9	173.8	171.1	0	0	0	0	111	I655 L662 L663	I655-V659 HydrophobicContact CG2-CG2 3.7Å; I655-V659 VanDerWaalsContact O-CB 3.27Å; I655-V659 WeakPolarHBondContact O-CB 3.32Å; I655-V659 VanDerWaalsContact O-CG2 3.29Å; I655-V659 WeakPolarHBondContact O-CG2 3.5Å; I655-V659 PolarHBondContact O-N 3.34Å; V659-L662 PolarHBondContact O-N 2.95Å; V659-L663 HydrophobicContact CG1-CD1 4.48Å; V659-L663 WeakPolarHBondContact O-CB 3.27Å; V659-L663 PolarHBondContact O-N 3.48Å
660	G	72.8	Confident	68.2	Low	31 Å²	31	90 Å²	90	32%	0.32	55%	0.545	S	S	.	.	H	α-helix	trans	-62.8	-45.3	174.1	0	0	0	0	0	112.6	S656 A657 V658 L663 V664	S656-G660 WeakPolarHBondContact O-CA 3.46Å; S656-G660 PolarHBondContact O-N 3.12Å; A657-G660 PolarHBondContact O-N 3.08Å; V658-G660 VanDerWaalsContact C-N 3.33Å; G660-L663 PolarHBondContact O-N 3.06Å; G660-V664 WeakPolarHBondContact O-CG2 3.5Å; G660-V664 PolarHBondContact O-N 3.11Å
661	I	77.6	Confident	70.2	Confident	117 Å²	117	90.5 Å²	90.5	60%	0.6	53%	0.534	S	S	*	.	H	α-helix	trans	-64.7	-44	174.9	-68.2	165.2	0	0	0	110.5	A657 V658 L663 V664 V665	A657-I661 WeakPolarHBondContact O-CG1 3.34Å; A657-I661 PolarHBondContact O-N 3.29Å; V658-I661 PolarHBondContact O-N 3.2Å; I661-L663 VanDerWaalsContact C-N 3.32Å; I661-L663 PolarHBondContact O-N 3.28Å; I661-V664 PolarHBondContact O-N 2.92Å; I661-V665 WeakPolarHBondContact O-CG2 3.43Å; I661-V665 PolarHBondContact O-N 3.14Å
662	L	78.5	Confident	71.9	Confident	101 Å²	101	85.4 Å²	85.4	53%	0.529	52%	0.516	S	S	.	.	H	α-helix	trans	-61.6	-37.5	173.7	-95.3	162.4	0	0	0	112.3	V658 V659 V665 V666	V658-L662 HydrophobicContact CG1-CD1 4.37Å; V658-L662 WeakPolarHBondContact O-CB 3.22Å; V658-L662 PolarHBondContact O-N 2.98Å; V659-L662 PolarHBondContact O-N 2.95Å; L662-V665 PolarHBondContact O-N 3.06Å; L662-V666 VanDerWaalsContact O-CB 3.27Å; L662-V666 WeakPolarHBondContact O-CB 3.43Å; L662-V666 VanDerWaalsContact O-CG2 3.24Å; L662-V666 WeakPolarHBondContact O-CG2 3.49Å; L662-V666 PolarHBondContact O-N 2.97Å
663	L	80.9	Confident	73.4	Confident	94 Å²	94	84.5 Å²	84.5	49%	0.492	51%	0.507	S	S	.	.	H	α-helix	trans	-65.9	-40.6	173.6	-109.2	164.7	0	0	0	111.5	V659 G660 I661 V666 L667	V659-L663 HydrophobicContact CG1-CD1 4.48Å; V659-L663 WeakPolarHBondContact O-CB 3.27Å; V659-L663 PolarHBondContact O-N 3.48Å; G660-L663 PolarHBondContact O-N 3.06Å; I661-L663 VanDerWaalsContact C-N 3.32Å; I661-L663 PolarHBondContact O-N 3.28Å; L663-V666 PolarHBondContact O-N 2.95Å; L663-L667 HydrophobicContact CD2-CD1 4.12Å; L663-L667 HydrophobicContact CD2-CG 4.19Å; L663-L667 WeakPolarHBondContact O-CB 3.41Å; L663-L667 WeakPolarHBondContact O-CG 3.35Å; L663-L667 PolarHBondContact O-N 2.82Å
664	V	80.1	Confident	74.8	Confident	105 Å²	105	84.2 Å²	84.2	64%	0.636	50%	0.497	S	S	*	.	H	α-helix	trans	-67.3	-38.6	175.3	171.9	0	0	0	0	111.4	G660 I661 G668	G660-V664 WeakPolarHBondContact O-CG2 3.5Å; G660-V664 PolarHBondContact O-N 3.11Å; I661-V664 PolarHBondContact O-N 2.92Å; V664-G668 PolarHBondContact O-N 3.19Å
665	V	82	Confident	76.1	Confident	82 Å²	82	81 Å²	81	50%	0.497	48%	0.48	S	S	.	.	H	α-helix	trans	-68.3	-44.7	174.5	172.2	0	0	0	0	111.2	I661 L662 G668 V669	I661-V665 WeakPolarHBondContact O-CG2 3.43Å; I661-V665 PolarHBondContact O-N 3.14Å; L662-V665 PolarHBondContact O-N 3.06Å; V665-G668 CarbonylContact O-C 3.5Å; V665-G668 PolarHBondContact O-N 3.44Å; V665-V669 HydrophobicContact CG1-CG2 4.48Å; V665-V669 WeakPolarHBondContact O-CB 3.25Å; V665-V669 WeakPolarHBondContact O-CG2 3.37Å; V665-V669 PolarHBondContact O-N 2.81Å
666	V	82.2	Confident	77	Confident	77 Å²	77	82.9 Å²	82.9	47%	0.467	49%	0.485	S	S	.	.	H	α-helix	trans	-66.7	-40.3	176.7	169.1	0	0	0	0	111	L662 L663 G668 V669 V670	L662-V666 VanDerWaalsContact O-CB 3.27Å; L662-V666 WeakPolarHBondContact O-CB 3.43Å; L662-V666 VanDerWaalsContact O-CG2 3.24Å; L662-V666 WeakPolarHBondContact O-CG2 3.49Å; L662-V666 PolarHBondContact O-N 2.97Å; L663-V666 PolarHBondContact O-N 2.95Å; V666-G668 VanDerWaalsContact C-N 3.34Å; V666-V669 PolarHBondContact O-N 3.11Å; V666-V670 HydrophobicContact CG1-CG2 4.19Å; V666-V670 WeakPolarHBondContact O-CB 3.28Å; V666-V670 WeakPolarHBondContact O-CG2 3.21Å; V666-V670 PolarHBondContact O-N 2.91Å
667	L	82.4	Confident	78	Confident	104 Å²	104	87.2 Å²	87.2	55%	0.545	49%	0.49	S	S	.	.	H	α-helix	trans	-66.8	-34.9	172.1	-72.2	170.5	0	0	0	111.4	L663 F671	L663-L667 HydrophobicContact CD2-CD1 4.12Å; L663-L667 HydrophobicContact CD2-CG 4.19Å; L663-L667 WeakPolarHBondContact O-CB 3.41Å; L663-L667 WeakPolarHBondContact O-CG 3.35Å; L663-L667 PolarHBondContact O-N 2.82Å; L667-F671 WeakPolarHBondContact O-CA 3.24Å; L667-F671 WeakPolarHBondContact O-CB 3.47Å; L667-F671 PolarHBondContact O-N 3.26Å
668	G	82.6	Confident	78.8	Confident	46 Å²	46	93.3 Å²	93.3	47%	0.474	50%	0.501	S	S	.	.	H	α-helix	trans	-66.5	-42.2	173.1	0	0	0	0	0	112.7	V664 V665 V666 G672	V664-G668 PolarHBondContact O-N 3.19Å; V665-G668 CarbonylContact O-C 3.5Å; V665-G668 PolarHBondContact O-N 3.44Å; V666-G668 VanDerWaalsContact C-N 3.34Å; G668-G672 PolarHBondContact O-N 2.91Å
669	V	82.5	Confident	78.9	Confident	84 Å²	84	95.1 Å²	95.1	51%	0.509	50%	0.504	S	S	.	.	H	α-helix	trans	-70.3	-40.6	174.5	169.6	0	0	0	0	111.1	V665 V666 G672 I673	V665-V669 HydrophobicContact CG1-CG2 4.48Å; V665-V669 WeakPolarHBondContact O-CB 3.25Å; V665-V669 WeakPolarHBondContact O-CG2 3.37Å; V665-V669 PolarHBondContact O-N 2.81Å; V666-V669 PolarHBondContact O-N 3.11Å; V669-G672 CarbonylContact O-C 3.54Å; V669-G672 PolarHBondContact O-N 2.79Å; V669-I673 HydrophobicContact CG1-CD1 3.76Å; V669-I673 HydrophobicContact CG1-CG1 4.45Å; V669-I673 VanDerWaalsContact O-CB 3.28Å; V669-I673 WeakPolarHBondContact O-CB 3.37Å; V669-I673 WeakPolarHBondContact O-CG1 3.42Å; V669-I673 PolarHBondContact O-N 2.81Å
670	V	81.3	Confident	78.7	Confident	65 Å²	65	96.9 Å²	96.9	39%	0.394	51%	0.508	S	S	.	.	H	α-helix	trans	-68.2	-39.9	174.8	167.3	0	0	0	0	110.8	V666 I673 L674	V666-V670 HydrophobicContact CG1-CG2 4.19Å; V666-V670 WeakPolarHBondContact O-CB 3.28Å; V666-V670 WeakPolarHBondContact O-CG2 3.21Å; V666-V670 PolarHBondContact O-N 2.91Å; V670-I673 CarbonylContact O-C 3.59Å; V670-I673 PolarHBondContact O-N 2.03Å; V670-L674 HydrophobicContact CG1-CD1 3.85Å; V670-L674 HydrophobicContact CG1-CG 4.28Å; V670-L674 VanDerWaalsContact O-CB 3.26Å; V670-L674 WeakPolarHBondContact O-CB 3.23Å; V670-L674 WeakPolarHBondContact O-CG 3.3Å; V670-L674 PolarHBondContact O-N 2.88Å
671	F	82.3	Confident	78.1	Confident	137 Å²	137	101.6 Å²	101.6	60%	0.601	52%	0.519	S	S	*	.	H	α-helix	trans	-70.1	-35.9	174.5	-166.4	-111.6	0	0	0	111.2	L667 L674 I675	L667-F671 WeakPolarHBondContact O-CA 3.24Å; L667-F671 WeakPolarHBondContact O-CB 3.47Å; L667-F671 PolarHBondContact O-N 3.26Å; F671-L674 CarbonylContact O-C 3.59Å; F671-L674 PolarHBondContact O-N 3.05Å; F671-I675 HydrophobicContact CD1-CD1 3.68Å; F671-I675 HydrophobicContact CD1-CG1 4.38Å; F671-I675 HydrophobicContact CE1-CD1 3.46Å; F671-I675 VanDerWaalsContact CE1-CD1 3.46Å; F671-I675 HydrophobicContact CE1-CG1 4.28Å; F671-I675 HydrophobicContact CZ-CD1 4.12Å; F671-I675 WeakPolarHBondContact O-CB 3.4Å; F671-I675 WeakPolarHBondContact O-CG1 3.48Å; F671-I675 PolarHBondContact O-N 2.86Å
672	G	82	Confident	77.6	Confident	36 Å²	36	100.7 Å²	100.7	37%	0.371	52%	0.515	S	S	.	.	H	α-helix	trans	-64.3	-39.7	169.2	0	0	0	0	0	112.7	G668 V669 K676	G668-G672 PolarHBondContact O-N 2.91Å; V669-G672 CarbonylContact O-C 3.54Å; V669-G672 PolarHBondContact O-N 2.79Å; G672-K676 WeakPolarHBondContact O-CB 3.02Å; G672-K676 PolarHBondContact O-N 3Å
673	I	81.4	Confident	76.8	Confident	80 Å²	80	105.4 Å²	105.4	41%	0.41	53%	0.526	S	S	.	.	H	α-helix	trans	-70.9	-33	172.4	-73.3	166.6	0	0	0	110.8	V669 V670 R677	V669-I673 HydrophobicContact CG1-CD1 3.76Å; V669-I673 HydrophobicContact CG1-CG1 4.45Å; V669-I673 VanDerWaalsContact O-CB 3.28Å; V669-I673 WeakPolarHBondContact O-CB 3.37Å; V669-I673 WeakPolarHBondContact O-CG1 3.42Å; V669-I673 PolarHBondContact O-N 2.81Å; V670-I673 CarbonylContact O-C 3.59Å; V670-I673 PolarHBondContact O-N 2.03Å; I673-R677 HydrophobicContact CG2-CG 4.25Å; I673-R677 WeakPolarHBondContact O-CA 3.37Å; I673-R677 WeakPolarHBondContact O-CB 3.42Å; I673-R677 WeakPolarHBondContact O-CG 3.33Å; I673-R677 PolarHBondContact O-N 3.25Å
674	L	80.3	Confident	75.8	Confident	94 Å²	94	107.6 Å²	107.6	49%	0.492	53%	0.531	S	S	.	.	H	α-helix	trans	-77.2	-30.5	175.5	-75.2	170.6	0	0	0	111.9	V670 F671 R678	V670-L674 HydrophobicContact CG1-CD1 3.85Å; V670-L674 HydrophobicContact CG1-CG 4.28Å; V670-L674 VanDerWaalsContact O-CB 3.26Å; V670-L674 WeakPolarHBondContact O-CB 3.23Å; V670-L674 WeakPolarHBondContact O-CG 3.3Å; V670-L674 PolarHBondContact O-N 2.88Å; F671-L674 CarbonylContact O-C 3.59Å; F671-L674 PolarHBondContact O-N 3.05Å; L674-R678 WeakPolarHBondContact O-CA 3.45Å; L674-R678 WeakPolarHBondContact O-CB 3.49Å; L674-R678 WeakPolarHBondContact O-CG 3.37Å; L674-R678 PolarHBondContact O-N 2.98Å
675	I	79.9	Confident	74.8	Confident	70 Å²	70	109.3 Å²	109.3	36%	0.359	53%	0.527	S	S	.	.	H	α-helix	trans	-71.6	-47.1	167.9	-75	173.4	0	0	0	109.4	F671 R677 R678 Q679	F671-I675 HydrophobicContact CD1-CD1 3.68Å; F671-I675 HydrophobicContact CD1-CG1 4.38Å; F671-I675 HydrophobicContact CE1-CD1 3.46Å; F671-I675 VanDerWaalsContact CE1-CD1 3.46Å; F671-I675 HydrophobicContact CE1-CG1 4.28Å; F671-I675 HydrophobicContact CZ-CD1 4.12Å; F671-I675 WeakPolarHBondContact O-CB 3.4Å; F671-I675 WeakPolarHBondContact O-CG1 3.48Å; F671-I675 PolarHBondContact O-N 2.86Å; I675-R677 VanDerWaalsContact C-N 3.33Å; I675-R677 PolarHBondContact O-N 3.34Å; I675-R678 CarbonylContact O-C 3.3Å; I675-R678 PolarHBondContact O-N 2.86Å; I675-R678 VanDerWaalsContact O-N 3.09Å; I675-Q679 HydrophobicContact CG2-CG 4.4Å; I675-Q679 WeakPolarHBondContact O-CB 3.06Å; I675-Q679 WeakPolarHBondContact O-CG 3.45Å; I675-Q679 PolarHBondContact O-N 2.86Å
676	K	76.2	Confident	73.7	Confident	137 Å²	137	108 Å²	108	60%	0.596	52%	0.52	S	S	*	.	H	α-helix	trans	-65	-36.3	176.5	-164.7	169.9	-175.1	175.7	0	111.2	G672 Q680	G672-K676 WeakPolarHBondContact O-CB 3.02Å; G672-K676 PolarHBondContact O-N 3Å; K676-Q680 WeakPolarHBondContact O-CB 3.06Å; K676-Q680 WeakPolarHBondContact O-CG 3.42Å; K676-Q680 PolarHBondContact O-N 3.49Å
677	R	76.7	Confident	72.3	Confident	163 Å²	163	108.8 Å²	108.8	62%	0.615	52%	0.519	S	S	*	.	H	α-helix	trans	-74.1	-27.9	169.4	-75.1	176.7	171.6	-173.1	-3.1	113.1	I673 I675 K681	I673-R677 HydrophobicContact CG2-CG 4.25Å; I673-R677 WeakPolarHBondContact O-CA 3.37Å; I673-R677 WeakPolarHBondContact O-CB 3.42Å; I673-R677 WeakPolarHBondContact O-CG 3.33Å; I673-R677 PolarHBondContact O-N 3.25Å; I675-R677 VanDerWaalsContact C-N 3.33Å; I675-R677 PolarHBondContact O-N 3.34Å; R677-K681 WeakPolarHBondContact O-CA 3.34Å; R677-K681 WeakPolarHBondContact O-CB 3.28Å; R677-K681 WeakPolarHBondContact O-CG 3.23Å; R677-K681 PolarHBondContact O-N 3.11Å
678	R	75.2	Confident	71	Confident	185 Å²	185	110.2 Å²	110.2	70%	0.698	52%	0.517	S	S	*	.	H	α-helix	trans	-72.5	-42	169.4	-95.9	-175	161.4	-172.6	-5.1	110.8	L674 I675 K681 I682	L674-R678 WeakPolarHBondContact O-CA 3.45Å; L674-R678 WeakPolarHBondContact O-CB 3.49Å; L674-R678 WeakPolarHBondContact O-CG 3.37Å; L674-R678 PolarHBondContact O-N 2.98Å; I675-R678 CarbonylContact O-C 3.3Å; I675-R678 PolarHBondContact O-N 2.86Å; I675-R678 VanDerWaalsContact O-N 3.09Å; R678-K681 PolarHBondContact O-N 2.88Å; R678-I682 WeakPolarHBondContact O-CA 3.42Å; R678-I682 WeakPolarHBondContact O-CB 3.31Å; R678-I682 WeakPolarHBondContact O-CD1 3.33Å; R678-I682 WeakPolarHBondContact O-CG1 3.28Å; R678-I682 PolarHBondContact O-N 3.25Å
679	Q	70.5	Confident	69.4	Low	120 Å²	120	113.9 Å²	113.9	56%	0.561	52%	0.517	S	S	*	.	H	α-helix	trans	-69.8	-35.8	174.4	-73.2	178.2	-17.3	0	0	111.5	I675 R683	I675-Q679 HydrophobicContact CG2-CG 4.4Å; I675-Q679 WeakPolarHBondContact O-CB 3.06Å; I675-Q679 WeakPolarHBondContact O-CG 3.45Å; I675-Q679 PolarHBondContact O-N 2.86Å; Q679-R683 WeakPolarHBondContact O-CB 3.04Å; Q679-R683 VanDerWaalsContact O-CG 3.27Å; Q679-R683 WeakPolarHBondContact O-CG 3.4Å; Q679-R683 PolarHBondContact O-N 3.38Å
680	Q	65.5	Low	67.8	Low	107 Å²	107	112.2 Å²	112.2	50%	0.5	51%	0.505	S	S	.	.	H	α-helix	trans	-73.6	-33.1	170.4	-76.2	176	-27.8	0	0	112.6	K676 K684	K676-Q680 WeakPolarHBondContact O-CB 3.06Å; K676-Q680 WeakPolarHBondContact O-CG 3.42Å; K676-Q680 PolarHBondContact O-N 3.49Å; Q680-K684 WeakPolarHBondContact O-CB 3.44Å; Q680-K684 VanDerWaalsContact O-CG 3.25Å; Q680-K684 WeakPolarHBondContact O-CG 3.4Å; Q680-K684 PolarHBondContact O-N 2.92Å
681	K	60.8	Low	66.2	Low	129 Å²	129	111.6 Å²	111.6	56%	0.561	50%	0.499	S	S	*	.	H	α-helix	trans	-69.5	-46.2	170.3	-87.7	-167.6	170.7	-166.9	0	110.8	R677 R678 K684 Y685	R677-K681 WeakPolarHBondContact O-CA 3.34Å; R677-K681 WeakPolarHBondContact O-CB 3.28Å; R677-K681 WeakPolarHBondContact O-CG 3.23Å; R677-K681 PolarHBondContact O-N 3.11Å; R678-K681 PolarHBondContact O-N 2.88Å; K681-K684 CarbonylContact O-C 3.35Å; K681-K684 VanDerWaalsContact O-C 3.28Å; K681-K684 WeakPolarHBondContact O-CA 3.43Å; K681-K684 PolarHBondContact O-N 3.08Å; K681-K684 VanDerWaalsContact O-N 3.11Å; K681-Y685 HydrophobicContact CB-CD2 4.13Å; K681-Y685 HydrophobicContact CB-CE2 4.14Å; K681-Y685 HydrophobicContact CD-CE2 4.31Å; K681-Y685 HydrophobicContact CG-CE2 4.46Å; K681-Y685 WeakPolarHBondContact O-CB 3.17Å; K681-Y685 WeakPolarHBondContact O-CD2 3.5Å; K681-Y685 PolarHBondContact O-N 2.92Å
682	I	66.9	Low	64.3	Low	99 Å²	99	111.5 Å²	111.5	51%	0.508	50%	0.5	S	S	.	.	H	α-helix	trans	-62.7	-50	176.6	-70.6	164.1	0	0	0	109	R678 K684 Y685 T686	R678-I682 WeakPolarHBondContact O-CA 3.42Å; R678-I682 WeakPolarHBondContact O-CB 3.31Å; R678-I682 WeakPolarHBondContact O-CD1 3.33Å; R678-I682 WeakPolarHBondContact O-CG1 3.28Å; R678-I682 PolarHBondContact O-N 3.25Å; I682-K684 VanDerWaalsContact C-N 3.29Å; I682-K684 PolarHBondContact O-N 3.12Å; I682-Y685 CarbonylContact O-C 3.49Å; I682-Y685 WeakPolarHBondContact O-CA 3.2Å; I682-Y685 PolarHBondContact O-N 2.88Å; I682-T686 WeakPolarHBondContact O-CB 3.46Å; I682-T686 PolarHBondContact O-N 2.03Å; I682-T686 PolarHBondContact O-OG1 2.96Å; I682-T686 VanDerWaalsContact O-OG1 3.13Å
683	R	61.4	Low	62.5	Low	199 Å²	199	115.4 Å²	115.4	75%	0.751	51%	0.509	S	S	*	.	H	α-helix	trans	-55.6	-40.6	169.7	-76.1	-178.4	174.4	-172	-2.1	112	Q679 Y685 M687	Q679-R683 WeakPolarHBondContact O-CB 3.04Å; Q679-R683 VanDerWaalsContact O-CG 3.27Å; Q679-R683 WeakPolarHBondContact O-CG 3.4Å; Q679-R683 PolarHBondContact O-N 3.38Å; R683-Y685 VanDerWaalsContact C-N 3.33Å; R683-Y685 PolarHBondContact O-N 2.8Å; R683-M687 WeakPolarHBondContact O-CA 3.2Å; R683-M687 WeakPolarHBondContact O-CB 3.26Å; R683-M687 PolarHBondContact O-N 2.86Å
684	K	60	Low	60.6	Low	140 Å²	140	114.8 Å²	114.8	61%	0.609	51%	0.509	S	S	*	.	H	α-helix	trans	-72.8	-14.7	172.6	-78.4	-175.2	173.6	-171.9	0	114.9	Q680 K681 I682 R688	Q680-K684 WeakPolarHBondContact O-CB 3.44Å; Q680-K684 VanDerWaalsContact O-CG 3.25Å; Q680-K684 WeakPolarHBondContact O-CG 3.4Å; Q680-K684 PolarHBondContact O-N 2.92Å; K681-K684 CarbonylContact O-C 3.35Å; K681-K684 VanDerWaalsContact O-C 3.28Å; K681-K684 WeakPolarHBondContact O-CA 3.43Å; K681-K684 PolarHBondContact O-N 3.08Å; K681-K684 VanDerWaalsContact O-N 3.11Å; I682-K684 VanDerWaalsContact C-N 3.29Å; I682-K684 PolarHBondContact O-N 3.12Å; K684-R688 WeakPolarHBondContact O-CB 3.19Å; K684-R688 VanDerWaalsContact O-CD 3.32Å; K684-R688 WeakPolarHBondContact O-CD 3.37Å; K684-R688 WeakPolarHBondContact O-CG 3.12Å; K684-R688 PolarHBondContact O-N 3.03Å
685	Y	58.8	Low	58.5	Low	142 Å²	142	113.5 Å²	113.5	56%	0.557	50%	0.5	S	S	*	.	H	α-helix	trans	-95.2	-43.6	176.5	-82.9	-63.2	0	0	0	110.6	K681 I682 R683 R688 R689	K681-Y685 HydrophobicContact CB-CD2 4.13Å; K681-Y685 HydrophobicContact CB-CE2 4.14Å; K681-Y685 HydrophobicContact CD-CE2 4.31Å; K681-Y685 HydrophobicContact CG-CE2 4.46Å; K681-Y685 WeakPolarHBondContact O-CB 3.17Å; K681-Y685 WeakPolarHBondContact O-CD2 3.5Å; K681-Y685 PolarHBondContact O-N 2.92Å; I682-Y685 CarbonylContact O-C 3.49Å; I682-Y685 WeakPolarHBondContact O-CA 3.2Å; I682-Y685 PolarHBondContact O-N 2.88Å; R683-Y685 VanDerWaalsContact C-N 3.33Å; R683-Y685 PolarHBondContact O-N 2.8Å; Y685-R688 CarbonylContact O-C 3.55Å; Y685-R688 PolarHBondContact O-N 2.88Å; Y685-R689 WeakPolarHBondContact O-CB 3.43Å; Y685-R689 PolarHBondContact O-N 3.21Å
686	T	58.6	Low	56.1	Low	55 Å²	55	117 Å²	117	34%	0.337	52%	0.519	S	S	.	.	H	α-helix	trans	-61.9	-47.2	167.5	-49.9	0	0	0	0	110.3	I682 R688 R689 L690 E744	I682-T686 WeakPolarHBondContact O-CB 3.46Å; I682-T686 PolarHBondContact O-N 2.03Å; I682-T686 PolarHBondContact O-OG1 2.96Å; I682-T686 VanDerWaalsContact O-OG1 3.13Å; T686-R688 VanDerWaalsContact C-N 3.35Å; T686-R688 PolarHBondContact O-N 3.02Å; T686-R689 CarbonylContact O-C 3.6Å; T686-R689 PolarHBondContact O-N 3.34Å; T686-L690 HydrophobicContact CG2-CD1 4.4Å; T686-L690 WeakPolarHBondContact O-CB 3.22Å; T686-L690 PolarHBondContact O-N 3.44Å; T686-E744 HydrophobicContact CG2-CG 4.21Å
687	M	53.4	Low	53.8	Low	93 Å²	93	114 Å²	114	46%	0.458	51%	0.512	S	S	.	.	H	α-helix	trans	-69.2	-30.4	175.9	-165	169.7	76.1	0	0	112.6	R683 L691	R683-M687 WeakPolarHBondContact O-CA 3.2Å; R683-M687 WeakPolarHBondContact O-CB 3.26Å; R683-M687 PolarHBondContact O-N 2.86Å; M687-L691 WeakPolarHBondContact O-CB 3.49Å; M687-L691 WeakPolarHBondContact O-CD1 3.3Å; M687-L691 WeakPolarHBondContact O-CG 3.45Å; M687-L691 PolarHBondContact O-N 2.67Å
688	R	53.8	Low	51.7	Low	134 Å²	134	108.1 Å²	108.1	51%	0.506	49%	0.492	S	S	.	.	H	α-helix	trans	-69.5	-33.2	166.8	-87.3	176	178.1	-174.4	-2.2	112.5	K684 Y685 T686 L691 Q692	K684-R688 WeakPolarHBondContact O-CB 3.19Å; K684-R688 VanDerWaalsContact O-CD 3.32Å; K684-R688 WeakPolarHBondContact O-CD 3.37Å; K684-R688 WeakPolarHBondContact O-CG 3.12Å; K684-R688 PolarHBondContact O-N 3.03Å; Y685-R688 CarbonylContact O-C 3.55Å; Y685-R688 PolarHBondContact O-N 2.88Å; T686-R688 VanDerWaalsContact C-N 3.35Å; T686-R688 PolarHBondContact O-N 3.02Å; R688-L691 PolarHBondContact O-N 3.42Å; R688-Q692 WeakPolarHBondContact O-CA 3.45Å; R688-Q692 WeakPolarHBondContact O-CB 3.36Å; R688-Q692 PolarHBondContact O-N 3.16Å
689	R	49.5	Very low	49.5	Very low	122 Å²	122	101.5 Å²	101.5	46%	0.46	47%	0.473	S	S	.	.	H	α-helix	trans	-75.7	-37.7	178.8	-171.2	171.4	177.1	-139.1	-27.3	111.4	Y685 T686 Q692 E693 D742	Y685-R689 WeakPolarHBondContact O-CB 3.43Å; Y685-R689 PolarHBondContact O-N 3.21Å; T686-R689 CarbonylContact O-C 3.6Å; T686-R689 PolarHBondContact O-N 3.34Å; R689-Q692 PolarHBondContact O-N 2.74Å; R689-E693 HydrophobicContact CG-CG 4.27Å; R689-E693 WeakPolarHBondContact CG-OE1 3.22Å; R689-E693 IonicContact CZ-OE1 3.46Å; R689-E693 IonicContact NE-OE1 3.74Å; R689-E693 PolarHBondContact NE-OE1 3.25Å; R689-E693 IonicContact NH2-OE1 3.62Å; R689-E693 PolarHBondContact NH2-OE1 3.35Å; R689-E693 IonicContact NH2-OE2 3.2Å; R689-E693 VanDerWaalsContact O-CB 3.29Å; R689-E693 WeakPolarHBondContact O-CB 3.31Å; R689-E693 WeakPolarHBondContact O-CG 3.42Å; R689-E693 PolarHBondContact O-N 3.47Å; R689-D742 PolarHBondContact NH2-O 3.36Å
690	L	49.7	Very low	47.4	Very low	49 Å²	49	101.8 Å²	101.8	26%	0.257	48%	0.477	S	S	.	.	H	α-helix	trans	-54.8	-52.6	164.5	-87.1	157.7	0	0	0	111.2	T686 T694 E744 Y1023	T686-L690 HydrophobicContact CG2-CD1 4.4Å; T686-L690 WeakPolarHBondContact O-CB 3.22Å; T686-L690 PolarHBondContact O-N 3.44Å; L690-T694 WeakPolarHBondContact O-CG2 3.43Å; L690-T694 PolarHBondContact O-N 2.62Å; L690-T694 PolarHBondContact O-OG1 2.84Å; L690-E744 WeakPolarHBondContact CD2-OE1 3Å; L690-E744 WeakPolarHBondContact CG-OE1 3.44Å; L690-Y1023 HydrophobicContact CD2-CE2 4.18Å; L690-Y1023 WeakPolarHBondContact CD2-OH 3.27Å
691	L	46.6	Very low	45.9	Very low	53 Å²	53	102.8 Å²	102.8	28%	0.277	49%	0.491	S	S	.	.	H	α-helix	trans	-58.4	-49.4	174.2	-85.6	156	0	0	0	111.3	P337 M687 R688 E693 T694 E695	P337-L691 HydrophobicContact CG-CD1 3.52Å; P337-L691 HydrophobicContact CG-CD2 4.04Å; P337-L691 HydrophobicContact CG-CG 4.44Å; M687-L691 WeakPolarHBondContact O-CB 3.49Å; M687-L691 WeakPolarHBondContact O-CD1 3.3Å; M687-L691 WeakPolarHBondContact O-CG 3.45Å; M687-L691 PolarHBondContact O-N 2.67Å; R688-L691 PolarHBondContact O-N 3.42Å; L691-E693 PolarHBondContact O-N 3.21Å; L691-T694 WeakPolarHBondContact CA-OG1 3.38Å; L691-T694 CarbonylContact O-C 3.56Å; L691-T694 VanDerWaalsContact O-CA 3.27Å; L691-T694 WeakPolarHBondContact O-CA 3.37Å; L691-T694 PolarHBondContact O-N 2.85Å; L691-T694 PolarHBondContact O-OG1 2.92Å; L691-E695 WeakPolarHBondContact O-CG 3.48Å; L691-E695 PolarHBondContact O-N 3.23Å
692	Q	43.4	Very low	44.4	Very low	134 Å²	134	102.4 Å²	102.4	63%	0.626	50%	0.502	S	S	*	.	H	α-helix	trans	-75.2	-25.2	-172.1	-166.4	166.5	15.8	0	0	114.1	R688 R689	R688-Q692 WeakPolarHBondContact O-CA 3.45Å; R688-Q692 WeakPolarHBondContact O-CB 3.36Å; R688-Q692 PolarHBondContact O-N 3.16Å; R689-Q692 PolarHBondContact O-N 2.74Å
693	E	44.9	Very low	42.6	Very low	119 Å²	119	103 Å²	103	56%	0.556	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85	2.3	166.1	-65.9	-179.7	-166.7	0	0	111.9	R689 L691	R689-E693 HydrophobicContact CG-CG 4.27Å; R689-E693 WeakPolarHBondContact CG-OE1 3.22Å; R689-E693 IonicContact CZ-OE1 3.46Å; R689-E693 IonicContact NE-OE1 3.74Å; R689-E693 PolarHBondContact NE-OE1 3.25Å; R689-E693 IonicContact NH2-OE1 3.62Å; R689-E693 PolarHBondContact NH2-OE1 3.35Å; R689-E693 IonicContact NH2-OE2 3.2Å; R689-E693 VanDerWaalsContact O-CB 3.29Å; R689-E693 WeakPolarHBondContact O-CB 3.31Å; R689-E693 WeakPolarHBondContact O-CG 3.42Å; R689-E693 PolarHBondContact O-N 3.47Å; L691-E693 PolarHBondContact O-N 3.21Å
694	T	40.2	Very low	41.2	Very low	66 Å²	66	96.3 Å²	96.3	41%	0.405	51%	0.507	S	S	.	.	S	Bend	trans	-115.3	0.3	163.1	60.9	0	0	0	0	114.4	L690 L691 L696	L690-T694 WeakPolarHBondContact O-CG2 3.43Å; L690-T694 PolarHBondContact O-N 2.62Å; L690-T694 PolarHBondContact O-OG1 2.84Å; L691-T694 WeakPolarHBondContact CA-OG1 3.38Å; L691-T694 CarbonylContact O-C 3.56Å; L691-T694 VanDerWaalsContact O-CA 3.27Å; L691-T694 WeakPolarHBondContact O-CA 3.37Å; L691-T694 PolarHBondContact O-N 2.85Å; L691-T694 PolarHBondContact O-OG1 2.92Å; T694-L696 PolarHBondContact O-N 2.99Å
695	E	36.6	Very low	40	Very low	67 Å²	67	91.5 Å²	91.5	31%	0.313	49%	0.494	S	S	.	.			trans	-83.8	10.2	179.6	-85.5	167.1	-176.1	0	0	112.7	L691	L691-E695 WeakPolarHBondContact O-CG 3.48Å; L691-E695 PolarHBondContact O-N 3.23Å
696	L	30.2	Very low	39	Very low	144 Å²	144	91.3 Å²	91.3	75%	0.754	50%	0.5	S	S	*	.	S	Bend	trans	-87.8	116.2	163.2	-119.9	80.5	0	0	0	111.1	T694	T694-L696 PolarHBondContact O-N 2.99Å
697	V	28.2	Very low	38	Very low	73 Å²	73	90.4 Å²	90.4	44%	0.442	50%	0.495	S	S	.	.			trans	80	135.3	167.7	-158.8	0	0	0	0	115.9	A710	V697-A710 HydrophobicContact CB-CB 3.45Å; V697-A710 VanDerWaalsContact CB-CB 3.45Å; V697-A710 HydrophobicContact CG1-CB 3.49Å; V697-A710 VanDerWaalsContact CG1-CB 3.49Å; V697-A710 HydrophobicContact CG2-CB 4.45Å
698	E	32.1	Very low	37.5	Very low	40 Å²	40	88.6 Å²	88.6	19%	0.187	49%	0.487	C	S	.	.			trans	-150	164.3	-169.5	-99	-171.9	113.7	0	0	108.8	H318 K333	H318-E698 VanDerWaalsContact CA-OE1 3.3Å; H318-E698 WeakPolarHBondContact CA-OE1 3.37Å; H318-E698 WeakPolarHBondContact CB-OE1 3.31Å; H318-E698 IonicContact CE1-OE1 2.73Å; H318-E698 IonicContact CG-OE1 3.71Å; H318-E698 VanDerWaalsContact CG-OE1 3.26Å; H318-E698 IonicContact ND1-OE1 3.63Å; H318-E698 PolarHBondContact ND1-OE1 3.43Å; K333-E698 WeakPolarHBondContact CB-OE2 3.29Å; K333-E698 HydrophobicContact CD-CB 4.08Å; K333-E698 VanDerWaalsContact CD-OE2 3.29Å; K333-E698 WeakPolarHBondContact CD-OE2 3.23Å; K333-E698 VanDerWaalsContact CG-OE2 3.23Å; K333-E698 WeakPolarHBondContact CG-OE2 3.45Å
699	P	28.3	Very low	36.8	Very low	46 Å²	46	87.3 Å²	87.3	30%	0.299	49%	0.487	S	S	.	.			trans	-84.5	141.3	-133.6	29.8	-36.3	0	0	0	116.1	P316	P316-P699 HydrophobicContact CB-CG 4.48Å
700	L	27.5	Very low	36.5	Very low	126 Å²	126	82.8 Å²	82.8	66%	0.66	48%	0.475	S	S	*	.			trans	-113.6	102	164.1	-92.8	173.6	0	0	0	111.2	V308	V308-L700 HydrophobicContact CB-CD2 3.9Å; V308-L700 HydrophobicContact CB-CG 4.39Å; V308-L700 HydrophobicContact CG1-CD1 4.22Å; V308-L700 HydrophobicContact CG1-CD2 4.02Å; V308-L700 HydrophobicContact CG1-CG 3.99Å; V308-L700 HydrophobicContact CG2-CD2 3.84Å
701	T	32.2	Very low	36.8	Very low	129 Å²	129	83.2 Å²	83.2	79%	0.791	48%	0.476	S	S	*	.			trans	-149	147.7	149.7	39.1	0	0	0	0	106.4
702	P	30.5	Very low	37.8	Very low	121 Å²	121	81.9 Å²	81.9	79%	0.786	47%	0.469	S	S	*	.	S	Bend	cis	-110.6	154.9	26.6	35.8	-25.4	0	0	0	116
703	S	29	Very low	39.4	Very low	112 Å²	112	79.2 Å²	79.2	78%	0.783	45%	0.453	S	S	*	.	S	Bend	trans	70.2	62.1	162.1	-52	0	0	0	0	118
704	G	32.8	Very low	41.1	Very low	57 Å²	57	79.4 Å²	79.4	59%	0.588	46%	0.456	S	S	*	.			trans	-156.6	124	161.5	0	0	0	0	0	110	M706	G704-M706 PolarHBondContact O-N 2.99Å; G704-M706 VanDerWaalsContact O-N 3.1Å
705	A	34.2	Very low	43.3	Very low	40 Å²	40	76.6 Å²	76.6	33%	0.331	44%	0.439	S	S	.	.			trans	-85.3	84.2	-165.3	0	0	0	0	0	113.3	L869 I872	A705-L869 HydrophobicContact CB-CD2 3.85Å; A705-I872 HydrophobicContact CB-CD1 4.48Å; A705-I872 HydrophobicContact CB-CG1 4.05Å
706	M	37	Very low	45.6	Very low	138 Å²	138	78.8 Å²	78.8	68%	0.68	45%	0.447	S	S	*	.			trans	-144.3	148.3	162.9	-113.7	-170.9	177	0	0	111	G704	G704-M706 PolarHBondContact O-N 2.99Å; G704-M706 VanDerWaalsContact O-N 3.1Å
707	P	38.1	Very low	48.2	Very low	36 Å²	36	77.5 Å²	77.5	23%	0.234	44%	0.437	C	S	.	.			trans	-65.2	149.4	174.1	-15.9	30	0	0	0	111.4	Q709 Y772 V773	P707-Q709 PolarHBondContact O-N 3.21Å; P707-Y772 WeakPolarHBondContact CB-O 3.36Å; P707-V773 HydrophobicContact CB-CG2 4.33Å; P707-V773 HydrophobicContact CG-CB 4.49Å; P707-V773 HydrophobicContact CG-CG2 3.56Å
708	N	42.1	Very low	50.9	Low	54 Å²	54	79.6 Å²	79.6	29%	0.289	45%	0.45	S	S	.	.			trans	-72.4	89.3	-176.1	-169	8.9	0	0	0	111.5	A710 Q711	N708-A710 PolarHBondContact O-N 3.09Å; N708-A710 WeakPolarHBondContact OD1-CB 3.38Å; N708-Q711 PolarHBondContact O-N 2.93Å; N708-Q711 VanDerWaalsContact O-N 3.15Å
709	Q	40.7	Very low	53.6	Low	108 Å²	108	78.5 Å²	78.5	51%	0.505	45%	0.446	S	S	.	.	G	3₁₀ helix	trans	-50.7	-25.4	-177.2	-64.3	-177.7	2.7	0	0	113.6	P707 Q711 M712 Y772	P707-Q709 PolarHBondContact O-N 3.21Å; Q709-Q711 PolarHBondContact O-N 2.88Å; Q709-M712 PolarHBondContact O-N 2.83Å; Q709-Y772 HydrophobicContact CB-CD1 4.11Å; Q709-Y772 HydrophobicContact CB-CE1 3.86Å; Q709-Y772 HydrophobicContact CG-CD1 3.94Å; Q709-Y772 HydrophobicContact CG-CE1 3.84Å
710	A	42.9	Very low	56.4	Low	26 Å²	26	77 Å²	77	22%	0.215	44%	0.435	C	S	.	.	G	3₁₀ helix	trans	-44	-36.2	173.5	0	0	0	0	0	115.9	V697 N708	V697-A710 HydrophobicContact CB-CB 3.45Å; V697-A710 VanDerWaalsContact CB-CB 3.45Å; V697-A710 HydrophobicContact CG1-CB 3.49Å; V697-A710 VanDerWaalsContact CG1-CB 3.49Å; V697-A710 HydrophobicContact CG2-CB 4.45Å; N708-A710 PolarHBondContact O-N 3.09Å; N708-A710 WeakPolarHBondContact OD1-CB 3.38Å
711	Q	55.8	Low	59.4	Low	58 Å²	58	76.1 Å²	76.1	27%	0.271	42%	0.423	S	S	.	.	G	3₁₀ helix	trans	-93.4	-1.9	-161.3	-65.6	-165.7	8.1	0	0	113.8	N708 Q709 A775 R784	N708-Q711 PolarHBondContact O-N 2.93Å; N708-Q711 VanDerWaalsContact O-N 3.15Å; Q709-Q711 PolarHBondContact O-N 2.88Å; Q711-A775 HydrophobicContact CB-CB 4.29Å; Q711-A775 VanDerWaalsContact CB-O 3.31Å; Q711-A775 WeakPolarHBondContact CB-O 3.27Å; Q711-A775 PolarHBondContact OE1-O 2.7Å; Q711-A775 VanDerWaalsContact OE1-O 3.14Å; Q711-R784 VanDerWaalsContact OE1-CZ 3.22Å
712	M	67.1	Low	62.1	Low	26 Å²	26	73.6 Å²	73.6	13%	0.128	40%	0.401	C	S	.	.			trans	-96.1	100	-172.7	-175.5	161	159.3	0	0	111.8	Q709 L768 A771 Y772 A775 I788	Q709-M712 PolarHBondContact O-N 2.83Å; M712-L768 HydrophobicContact CE-CD2 3.76Å; M712-A771 HydrophobicContact CE-CB 3.54Å; M712-A771 HydrophobicContact SD-CB 3.85Å; M712-Y772 HydrophobicContact CB-CD1 4.04Å; M712-Y772 HydrophobicContact CB-CE1 4.1Å; M712-Y772 HydrophobicContact CG-CD1 4.35Å; M712-Y772 HydrophobicContact CG-CE1 4.33Å; M712-Y772 HydrophobicContact SD-CD1 3.31Å; M712-Y772 WeakPolarHBondContact SD-CD1 3.4Å; M712-Y772 HydrophobicContact SD-CD2 4.24Å; M712-Y772 HydrophobicContact SD-CE1 3.51Å; M712-Y772 VanDerWaalsContact SD-CE1 3.51Å; M712-Y772 HydrophobicContact SD-CE2 4.4Å; M712-Y772 HydrophobicContact SD-CG 3.7Å; M712-A775 HydrophobicContact CB-CB 3.75Å; M712-A775 HydrophobicContact CG-CB 4.35Å; M712-I788 HydrophobicContact CE-CB 4.19Å; M712-I788 HydrophobicContact CE-CD1 3.7Å; M712-I788 HydrophobicContact CE-CG2 3.69Å; M712-I788 HydrophobicContact CG-CG2 4.31Å
713	R	76.1	Confident	64.7	Low	77 Å²	77	70.5 Å²	70.5	29%	0.291	38%	0.38	S	S	.	.			trans	-78.7	131.1	177.8	-57.5	-176.1	-177.7	-161.8	1.2	111.1	L715 G787 I788 L1024	R713-L715 HydrophobicContact CB-CD2 4.06Å; R713-G787 CarbonylContact O-C 3.46Å; R713-G787 WeakPolarHBondContact O-CA 3.26Å; R713-I788 PolarHBondContact O-N 3.02Å; R713-L1024 VanDerWaalsContact NH2-CD2 3.26Å
714	I	82.2	Confident	67.4	Low	124 Å²	124	68.6 Å²	68.6	64%	0.636	36%	0.357	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.8	112.6	169.1	-56.5	176.8	0	0	0	108	I788	I714-I788 WeakPolarHBondContact CA-O 3.13Å; I714-I788 HydrophobicContact CG1-CG2 4.28Å
715	L	85	Confident	70	Confident	7 Å²	7	69.4 Å²	69.4	4%	0.037	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	141.2	-179.1	-53.7	-177.5	0	0	0	110.3	R713 E719 L720 W739 I788 C789 V797	R713-L715 HydrophobicContact CB-CD2 4.06Å; L715-E719 WeakPolarHBondContact CA-OE2 3.31Å; L715-L720 HydrophobicContact CB-CD1 4.12Å; L715-L720 HydrophobicContact CD1-CD1 4.38Å; L715-L720 HydrophobicContact CD1-CD2 4.2Å; L715-W739 HydrophobicContact CD1-CD2 4.49Å; L715-W739 HydrophobicContact CD2-CZ2 3.7Å; L715-I788 PolarHBondContact N-O 2.6Å; L715-C789 PolarHBondContact O-SG 2.83Å; L715-V797 HydrophobicContact CD1-CB 4.07Å; L715-V797 HydrophobicContact CD1-CG1 4.25Å; L715-V797 HydrophobicContact CD1-CG2 3.99Å
716	K	84.9	Confident	72.3	Confident	112 Å²	112	69.8 Å²	69.8	49%	0.487	35%	0.347	S	S	.	.			trans	-84	151.3	177.1	-56.8	170.7	-166.7	170.5	0	110	T718 E719 D742	K716-T718 WeakPolarHBondContact CB-OG1 3.44Å; K716-T718 PolarHBondContact O-N 3.2Å; K716-E719 HydrophobicContact CB-CG 4.18Å; K716-E719 PolarHBondContact N-OE2 3.37Å; K716-E719 WeakPolarHBondContact O-CB 3.39Å; K716-E719 PolarHBondContact O-N 2.99Å; K716-D742 IonicContact NZ-OD2 3.42Å; K716-D742 PolarHBondContact NZ-OD2 3.46Å
717	E	84.7	Confident	74.1	Confident	117 Å²	117	64.8 Å²	64.8	55%	0.547	33%	0.331	S	S	.	.	G	3₁₀ helix	trans	-62.6	-26.5	175.1	-172.1	158.8	-137.5	0	0	112.3	E719 L720 T791	E717-E719 VanDerWaalsContact C-N 3.25Å; E717-E719 PolarHBondContact O-N 3.42Å; E717-L720 PolarHBondContact O-N 3.49Å; E717-T791 HydrophobicContact CB-CG2 3.93Å; E717-T791 HydrophobicContact CG-CG2 4.33Å
718	T	86.6	Confident	75.8	Confident	117 Å²	117	67.1 Å²	67.1	72%	0.718	35%	0.348	S	S	*	.	G	3₁₀ helix	trans	-64.8	-24.3	173.2	49.7	0	0	0	0	114.1	K716	K716-T718 WeakPolarHBondContact CB-OG1 3.44Å; K716-T718 PolarHBondContact O-N 3.2Å
719	E	87.1	Confident	76.8	Confident	18 Å²	18	66.3 Å²	66.3	8%	0.084	35%	0.352	C	S	.	.	G	3₁₀ helix	trans	-87.2	-11.6	179.8	-61.3	177.3	103.6	0	0	112.6	L715 K716 E717 W739 I740 P741 D742	L715-E719 WeakPolarHBondContact CA-OE2 3.31Å; K716-E719 HydrophobicContact CB-CG 4.18Å; K716-E719 PolarHBondContact N-OE2 3.37Å; K716-E719 WeakPolarHBondContact O-CB 3.39Å; K716-E719 PolarHBondContact O-N 2.99Å; E717-E719 VanDerWaalsContact C-N 3.25Å; E717-E719 PolarHBondContact O-N 3.42Å; E719-W739 CarbonylContact O-C 3.52Å; E719-W739 WeakPolarHBondContact O-CA 3.47Å; E719-I740 WeakPolarHBondContact CA-O 3.34Å; E719-I740 VanDerWaalsContact CB-O 3.3Å; E719-I740 WeakPolarHBondContact CB-O 3.43Å; E719-I740 WeakPolarHBondContact CG-O 3.3Å; E719-I740 PolarHBondContact O-N 3.23Å; E719-P741 WeakPolarHBondContact OE1-CA 3.39Å; E719-D742 HydrophobicContact CG-CB 4.09Å; E719-D742 PolarHBondContact OE1-N 2.95Å
720	L	88.5	Confident	77.7	Confident	14 Å²	14	64.4 Å²	64.4	7%	0.073	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	99.4	-166.7	-70.2	175.9	0	0	0	113.2	L715 E717 K722 W739 I752 C789 V797	L715-L720 HydrophobicContact CB-CD1 4.12Å; L715-L720 HydrophobicContact CD1-CD1 4.38Å; L715-L720 HydrophobicContact CD1-CD2 4.2Å; E717-L720 PolarHBondContact O-N 3.49Å; L720-K722 PolarHBondContact O-N 3.31Å; L720-W739 HydrophobicContact CD2-CB 3.89Å; L720-W739 HydrophobicContact CD2-CG 4.09Å; L720-I752 HydrophobicContact CB-CD1 4.22Å; L720-I752 HydrophobicContact CD2-CD1 4.12Å; L720-C789 HydrophobicContact CD1-CB 3.59Å; L720-V797 HydrophobicContact CD1-CG2 3.86Å; L720-V797 HydrophobicContact CD2-CG1 4.29Å; L720-V797 HydrophobicContact CD2-CG2 4.14Å
721	R	89.3	Confident	78.6	Confident	107 Å²	107	68.4 Å²	68.4	40%	0.404	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	101.8	176.3	-162.6	-179.2	75.7	175.3	6.5	111.4	G737 I738 D1013	R721-G737 CarbonylContact O-C 3.46Å; R721-G737 WeakPolarHBondContact O-CA 3.28Å; R721-I738 PolarHBondContact N-O 3.43Å; R721-I738 PolarHBondContact O-N 2.92Å; R721-D1013 IonicContact CZ-OD2 3.95Å; R721-D1013 IonicContact NH1-OD2 3.58Å; R721-D1013 PolarHBondContact NH1-OD2 3.17Å; R721-D1013 IonicContact NH2-OD2 2.8Å; R721-D1013 PolarHBondContact NH2-OD2 3.21Å
722	K	89.4	Confident	79.5	Confident	76 Å²	76	65.9 Å²	65.9	33%	0.33	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	134.1	170.1	-65.1	159.2	-173.8	158.6	0	109.8	L720 Y735 I752 Q795	L720-K722 PolarHBondContact O-N 3.31Å; K722-Y735 HydrophobicContact CB-CD1 4.27Å; K722-Y735 HydrophobicContact CB-CG 4.43Å; K722-Y735 HydrophobicContact CG-CG 4.33Å; K722-I752 HydrophobicContact CG-CD1 4.03Å; K722-Q795 VanDerWaalsContact NZ-CD 3.29Å; K722-Q795 VanDerWaalsContact NZ-NE2 3.12Å
723	V	85.2	Confident	80.3	Confident	57 Å²	57	66.2 Å²	66.2	35%	0.345	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	-58.9	-174.8	-177.8	0	0	0	0	112	K736 I738	V723-K736 WeakPolarHBondContact CA-O 3.21Å; V723-K736 HydrophobicContact CB-CD 4.47Å; V723-K736 HydrophobicContact CB-CG 4.45Å; V723-K736 WeakPolarHBondContact CB-O 3.23Å; V723-K736 HydrophobicContact CG1-CD 4.38Å; V723-K736 PolarHBondContact N-O 3.03Å; V723-I738 HydrophobicContact CG2-CG1 4.37Å
724	K	85.9	Confident	80.8	Confident	72 Å²	72	64.6 Å²	64.6	31%	0.313	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	141.3	-170.4	178.8	174.6	175.4	175.9	0	110.1	Y735 K736 S1007	K724-Y735 CarbonylContact O-C 3.58Å; K724-Y735 VanDerWaalsContact O-CA 3.28Å; K724-Y735 WeakPolarHBondContact O-CA 3.33Å; K724-K736 HydrophobicContact CB-CB 4.21Å; K724-K736 HydrophobicContact CB-CD 4.46Å; K724-K736 PolarHBondContact N-O 2.9Å; K724-K736 PolarHBondContact O-N 2.95Å; K724-S1007 PolarHBondContact NZ-O 3.42Å
725	V	86.7	Confident	81.2	Confident	74 Å²	74	61.9 Å²	61.9	45%	0.448	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	132.1	173.2	177	0	0	0	0	109.3	T733 Y735	V725-T733 HydrophobicContact CG1-CG2 3.86Å; V725-T733 HydrophobicContact CG2-CG2 4.22Å; V725-Y735 HydrophobicContact CG2-CD1 3.84Å; V725-Y735 HydrophobicContact CG2-CE1 3.53Å
726	L	82.2	Confident	81.3	Confident	47 Å²	47	61.7 Å²	61.7	25%	0.246	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	-34.4	174.1	-63.9	175.6	0	0	0	111.9	V734 K736 L800 F1004 L1008	L726-V734 HydrophobicContact CB-CG1 4.42Å; L726-V734 HydrophobicContact CD1-CG1 4.35Å; L726-V734 PolarHBondContact N-O 3.16Å; L726-K736 HydrophobicContact CD1-CB 4.15Å; L726-K736 HydrophobicContact CD2-CB 4.02Å; L726-K736 HydrophobicContact CG-CB 4.05Å; L726-L800 HydrophobicContact CD1-CD1 3.62Å; L726-F1004 HydrophobicContact CD2-CE2 3.88Å; L726-F1004 HydrophobicContact CD2-CZ 3.85Å; L726-L1008 HydrophobicContact CD2-CD2 3.88Å
727	G	76.1	Confident	81.5	Confident	33 Å²	33	56.4 Å²	56.4	34%	0.34	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-175.8	162.5	177.6	0	0	0	0	0	112.6	V734	G727-V734 PolarHBondContact N-O 2.79Å; G727-V734 PolarHBondContact O-N 3.48Å
728	S	72.7	Confident	81.8	Confident	86 Å²	86	50.9 Å²	50.9	60%	0.601	29%	0.292	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-132.4	135.7	178.8	-61.1	0	0	0	0	109.3
729	G	63.7	Low	81.9	Confident	37 Å²	37	45.7 Å²	45.7	38%	0.381	26%	0.259	S	S	.	.			trans	-143.3	-169.6	-176.1	0	0	0	0	0	113.2	F731 G732 R756	G729-F731 VanDerWaalsContact C-N 3.33Å; G729-F731 PolarHBondContact O-N 2.69Å; G729-G732 PolarHBondContact N-O 2.89Å; G729-R756 PolarHBondContact O-NE 3.2Å; G729-R756 PolarHBondContact O-NH2 2.83Å
730	A	58.9	Low	81.9	Confident	67 Å²	67	47.6 Å²	47.6	55%	0.554	27%	0.27	S	S	*	.	S	Bend	trans	-60.6	-41.2	-179.6	0	0	0	0	0	112.5	R756	A730-R756 PolarHBondContact O-NE 3.28Å
731	F	63.4	Low	81.6	Confident	110 Å²	110	47.3 Å²	47.3	48%	0.482	27%	0.268	S	S	.	.	S	Bend	trans	-80.5	-26.4	-175.7	-56.5	-76.6	0	0	0	114.2	G729 L755 R756 L866	G729-F731 VanDerWaalsContact C-N 3.33Å; G729-F731 PolarHBondContact O-N 2.69Å; F731-L755 HydrophobicContact CB-CD2 4.49Å; F731-L755 WeakPolarHBondContact O-CA 3.4Å; F731-R756 PolarHBondContact O-N 3.22Å; F731-L866 HydrophobicContact CE1-CD2 4.3Å; F731-L866 HydrophobicContact CZ-CD2 4.22Å; F731-L866 HydrophobicContact CZ-CG 4.42Å
732	G	74	Confident	81.1	Confident	5 Å²	5	45.2 Å²	45.2	5%	0.052	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	170.9	-168.2	-168.7	0	0	0	0	0	115	G729 V754	G729-G732 PolarHBondContact N-O 2.89Å; G732-V754 CarbonylContact C-O 3.48Å; G732-V754 WeakPolarHBondContact CA-O 3.49Å
733	T	83.5	Confident	80.2	Confident	33 Å²	33	44.6 Å²	44.6	20%	0.202	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	128.5	173.3	-58	0	0	0	0	109.4	V725 Y735 V754	V725-T733 HydrophobicContact CG1-CG2 3.86Å; V725-T733 HydrophobicContact CG2-CG2 4.22Å; T733-Y735 HydrophobicContact CG2-CD2 4.18Å; T733-Y735 HydrophobicContact CG2-CE2 3.56Å; T733-V754 PolarHBondContact N-O 2.78Å; T733-V754 PolarHBondContact O-N 2.73Å
734	V	87.5	Confident	79.8	Confident	44 Å²	44	43.6 Å²	43.6	27%	0.267	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	128.5	178.9	-172	0	0	0	0	109.8	L726 G727 A751 I752 K753	L726-V734 HydrophobicContact CB-CG1 4.42Å; L726-V734 HydrophobicContact CD1-CG1 4.35Å; L726-V734 PolarHBondContact N-O 3.16Å; G727-V734 PolarHBondContact N-O 2.79Å; G727-V734 PolarHBondContact O-N 3.48Å; V734-A751 HydrophobicContact CG1-CB 4.12Å; V734-I752 CarbonylContact C-O 3.44Å; V734-I752 WeakPolarHBondContact CA-O 3.38Å; V734-K753 HydrophobicContact CG2-CB 4.12Å; V734-K753 HydrophobicContact CG2-CG 4.12Å
735	Y	90.2	Very high	79.2	Confident	67 Å²	67	48.3 Å²	48.3	26%	0.263	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	139.4	177	-62.5	-101.5	0	0	0	111	K722 K724 V725 T733 G737 A751 I752 V754	K722-Y735 HydrophobicContact CB-CD1 4.27Å; K722-Y735 HydrophobicContact CB-CG 4.43Å; K722-Y735 HydrophobicContact CG-CG 4.33Å; K724-Y735 CarbonylContact O-C 3.58Å; K724-Y735 VanDerWaalsContact O-CA 3.28Å; K724-Y735 WeakPolarHBondContact O-CA 3.33Å; V725-Y735 HydrophobicContact CG2-CD1 3.84Å; V725-Y735 HydrophobicContact CG2-CE1 3.53Å; T733-Y735 HydrophobicContact CG2-CD2 4.18Å; T733-Y735 HydrophobicContact CG2-CE2 3.56Å; Y735-G737 PolarHBondContact O-N 3.46Å; Y735-A751 CarbonylContact O-C 3.59Å; Y735-A751 WeakPolarHBondContact O-CA 3.46Å; Y735-I752 PolarHBondContact N-O 3.16Å; Y735-I752 PolarHBondContact O-N 2.94Å; Y735-V754 HydrophobicContact CD2-CG2 3.84Å; Y735-V754 HydrophobicContact CE2-CB 4.2Å; Y735-V754 HydrophobicContact CE2-CG2 3.74Å
736	K	87.7	Confident	78.8	Confident	2 Å²	2	46.4 Å²	46.4	1%	0.009	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.7	124	152.8	-179	-171.4	178.4	-176.2	0	106.1	V723 K724 L726 L800 L1008 D1011	V723-K736 WeakPolarHBondContact CA-O 3.21Å; V723-K736 HydrophobicContact CB-CD 4.47Å; V723-K736 HydrophobicContact CB-CG 4.45Å; V723-K736 WeakPolarHBondContact CB-O 3.23Å; V723-K736 HydrophobicContact CG1-CD 4.38Å; V723-K736 PolarHBondContact N-O 3.03Å; K724-K736 HydrophobicContact CB-CB 4.21Å; K724-K736 HydrophobicContact CB-CD 4.46Å; K724-K736 PolarHBondContact N-O 2.9Å; K724-K736 PolarHBondContact O-N 2.95Å; L726-K736 HydrophobicContact CD1-CB 4.15Å; L726-K736 HydrophobicContact CD2-CB 4.02Å; L726-K736 HydrophobicContact CG-CB 4.05Å; K736-L800 HydrophobicContact CG-CD2 4.19Å; K736-L1008 HydrophobicContact CD-CD2 3.84Å; K736-L1008 HydrophobicContact CG-CD2 4.31Å; K736-L1008 PolarHBondContact NZ-O 3.23Å; K736-D1011 IonicContact NZ-OD2 3.68Å; K736-D1011 PolarHBondContact NZ-OD2 3.27Å
737	G	89	Confident	78.8	Confident	1 Å²	1	46.6 Å²	46.6	1%	0.01	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	169.9	176.6	0	0	0	0	0	111.9	R721 Y735 V750	R721-G737 CarbonylContact O-C 3.46Å; R721-G737 WeakPolarHBondContact O-CA 3.28Å; Y735-G737 PolarHBondContact O-N 3.46Å; G737-V750 PolarHBondContact N-O 3.29Å; G737-V750 PolarHBondContact O-N 3.08Å
738	I	89.5	Confident	79.1	Confident	2 Å²	2	45 Å²	45	1%	0.01	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	127	165.6	-57.7	-174.6	0	0	0	107.2	R721 V723 I740 K747 I748 M1014 L1017	R721-I738 PolarHBondContact N-O 3.43Å; R721-I738 PolarHBondContact O-N 2.92Å; V723-I738 HydrophobicContact CG2-CG1 4.37Å; I738-I740 HydrophobicContact CG2-CG1 3.95Å; I738-K747 HydrophobicContact CG2-CB 3.73Å; I738-K747 HydrophobicContact CG2-CG 4.1Å; I738-I748 WeakPolarHBondContact CA-O 3.34Å; I738-M1014 HydrophobicContact CD1-SD 4.32Å; I738-L1017 HydrophobicContact CD1-CD2 4.48Å
739	W	88.5	Confident	79.9	Confident	7 Å²	7	42 Å²	42	3%	0.027	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	130.6	167.9	176.6	38.4	0	0	0	108.7	L715 E719 L720 P741 I748 V750 Y1023	L715-W739 HydrophobicContact CD1-CD2 4.49Å; L715-W739 HydrophobicContact CD2-CZ2 3.7Å; E719-W739 CarbonylContact O-C 3.52Å; E719-W739 WeakPolarHBondContact O-CA 3.47Å; L720-W739 HydrophobicContact CD2-CB 3.89Å; L720-W739 HydrophobicContact CD2-CG 4.09Å; W739-P741 HydrophobicContact CD2-CG 4.26Å; W739-P741 HydrophobicContact CH2-CG 4.4Å; W739-P741 HydrophobicContact CZ2-CB 4.28Å; W739-P741 HydrophobicContact CZ2-CG 3.96Å; W739-I748 HydrophobicContact CB-CB 4.4Å; W739-I748 HydrophobicContact CD2-CD1 4.16Å; W739-I748 HydrophobicContact CE3-CB 4.29Å; W739-I748 HydrophobicContact CE3-CD1 3.46Å; W739-I748 VanDerWaalsContact CE3-CD1 3.46Å; W739-I748 HydrophobicContact CE3-CG1 4.47Å; W739-I748 HydrophobicContact CE3-CG2 4.34Å; W739-I748 HydrophobicContact CH2-CD1 4.49Å; W739-I748 HydrophobicContact CZ3-CD1 3.66Å; W739-I748 PolarHBondContact N-O 2.94Å; W739-I748 PolarHBondContact O-N 2.66Å; W739-V750 HydrophobicContact CB-CG1 3.86Å; W739-V750 HydrophobicContact CB-CG2 4.1Å; W739-Y1023 HydrophobicContact CH2-CD1 4.43Å; W739-Y1023 AromaticContact CH2-CE1 3.81Å; W739-Y1023 HydrophobicContact CH2-CE1 3.81Å; W739-Y1023 HydrophobicContact CZ3-CD1 4.12Å; W739-Y1023 AromaticContact CZ3-CE1 3.92Å; W739-Y1023 HydrophobicContact CZ3-CE1 3.92Å
740	I	87.6	Confident	81.1	Confident	59 Å²	59	40.2 Å²	40.2	30%	0.303	23%	0.232	S	C	.	.			trans	-125	99.8	178.7	-53.7	179.1	0	0	0	106.6	E719 I738	E719-I740 WeakPolarHBondContact CA-O 3.34Å; E719-I740 VanDerWaalsContact CB-O 3.3Å; E719-I740 WeakPolarHBondContact CB-O 3.43Å; E719-I740 WeakPolarHBondContact CG-O 3.3Å; E719-I740 PolarHBondContact O-N 3.23Å; I738-I740 HydrophobicContact CG2-CG1 3.95Å
741	P	82.5	Confident	82.6	Confident	7 Å²	7	37.6 Å²	37.6	5%	0.045	21%	0.21	C	C	.	.			trans	-62.7	142.3	-174.8	-23.2	33.7	0	0	0	113.7	E719 W739 G743 E744 V746 I748 Y1023	E719-P741 WeakPolarHBondContact OE1-CA 3.39Å; W739-P741 HydrophobicContact CD2-CG 4.26Å; W739-P741 HydrophobicContact CH2-CG 4.4Å; W739-P741 HydrophobicContact CZ2-CB 4.28Å; W739-P741 HydrophobicContact CZ2-CG 3.96Å; P741-G743 PolarHBondContact O-N 2.89Å; P741-E744 HydrophobicContact CB-CB 4.32Å; P741-E744 PolarHBondContact O-N 3.06Å; P741-V746 WeakPolarHBondContact CD-O 3.08Å; P741-I748 HydrophobicContact CG-CD1 3.94Å; P741-Y1023 WeakPolarHBondContact CB-OH 3.49Å; P741-Y1023 HydrophobicContact CG-CE1 4.22Å; P741-Y1023 HydrophobicContact CG-CE2 4.37Å; P741-Y1023 VanDerWaalsContact CG-OH 3.22Å; P741-Y1023 WeakPolarHBondContact CG-OH 3.45Å
742	D	78	Confident	83.9	Confident	63 Å²	63	32.3 Å²	32.3	34%	0.337	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	95.5	-167.6	-133.4	35.4	0	0	0	114.5	R689 K716 E719	R689-D742 PolarHBondContact NH2-O 3.36Å; K716-D742 IonicContact NZ-OD2 3.42Å; K716-D742 PolarHBondContact NZ-OD2 3.46Å; E719-D742 HydrophobicContact CG-CB 4.09Å; E719-D742 PolarHBondContact OE1-N 2.95Å
743	G	72.4	Confident	84.5	Confident	63 Å²	63	33.2 Å²	33.2	65%	0.649	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	106.7	8.5	-176.8	0	0	0	0	0	114.6	P741	P741-G743 PolarHBondContact O-N 2.89Å
744	E	76	Confident	84.7	Confident	36 Å²	36	32.6 Å²	32.6	17%	0.168	19%	0.186	C	C	.	.			trans	-116	154.5	173.7	-65	-166.7	-133.5	0	0	112.5	T686 L690 P741 V746 Y1023	T686-E744 HydrophobicContact CG2-CG 4.21Å; L690-E744 WeakPolarHBondContact CD2-OE1 3Å; L690-E744 WeakPolarHBondContact CG-OE1 3.44Å; P741-E744 HydrophobicContact CB-CB 4.32Å; P741-E744 PolarHBondContact O-N 3.06Å; E744-V746 VanDerWaalsContact C-N 3.35Å; E744-V746 HydrophobicContact CB-CG2 4.43Å; E744-Y1023 PolarHBondContact OE1-OH 3.31Å
745	N	73.5	Confident	84.2	Confident	171 Å²	171	31.2 Å²	31.2	91%	0.914	18%	0.177	S	C	*	.			trans	-99.4	24.6	178	-65.7	-21	0	0	0	111.9
746	V	79	Confident	83.1	Confident	34 Å²	34	35.2 Å²	35.2	21%	0.206	19%	0.191	C	C	.	.			trans	-94.9	133.1	-177.9	-174.4	0	0	0	0	109.4	P741 E744 I748 V1018 Y1023	P741-V746 WeakPolarHBondContact CD-O 3.08Å; E744-V746 VanDerWaalsContact C-N 3.35Å; E744-V746 HydrophobicContact CB-CG2 4.43Å; V746-I748 HydrophobicContact CG1-CD1 4.48Å; V746-I748 HydrophobicContact CG1-CG1 3.95Å; V746-V1018 HydrophobicContact CG1-CB 3.96Å; V746-V1018 HydrophobicContact CG1-CG2 3.77Å; V746-Y1023 HydrophobicContact CB-CE2 4.37Å; V746-Y1023 HydrophobicContact CG1-CD2 4.06Å; V746-Y1023 HydrophobicContact CG1-CE2 4.27Å; V746-Y1023 HydrophobicContact CG2-CE2 4.38Å
747	K	80.8	Confident	81.7	Confident	51 Å²	51	41.2 Å²	41.2	22%	0.222	22%	0.219	C	C	.	.	B	Isolated β-bridge	trans	-104.9	120.7	172.3	-67.8	176	179.4	174.5	0	109.4	I738 D1013 L1017 V1018	I738-K747 HydrophobicContact CG2-CB 3.73Å; I738-K747 HydrophobicContact CG2-CG 4.1Å; K747-D1013 PolarHBondContact NZ-O 3.21Å; K747-D1013 IonicContact NZ-OD1 3.51Å; K747-D1013 PolarHBondContact NZ-OD1 3.07Å; K747-D1013 IonicContact NZ-OD2 2.65Å; K747-L1017 HydrophobicContact CB-CD2 3.67Å; K747-L1017 HydrophobicContact CD-CD2 4.5Å; K747-V1018 PolarHBondContact O-N 3.35Å
748	I	83.7	Confident	79.9	Confident	0 Å²	0	46.6 Å²	46.6	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	123.3	-177.8	-55.5	165.9	0	0	0	108.9	I738 W739 P741 V746 V750 A1020 Y1023	I738-I748 WeakPolarHBondContact CA-O 3.34Å; W739-I748 HydrophobicContact CB-CB 4.4Å; W739-I748 HydrophobicContact CD2-CD1 4.16Å; W739-I748 HydrophobicContact CE3-CB 4.29Å; W739-I748 HydrophobicContact CE3-CD1 3.46Å; W739-I748 VanDerWaalsContact CE3-CD1 3.46Å; W739-I748 HydrophobicContact CE3-CG1 4.47Å; W739-I748 HydrophobicContact CE3-CG2 4.34Å; W739-I748 HydrophobicContact CH2-CD1 4.49Å; W739-I748 HydrophobicContact CZ3-CD1 3.66Å; W739-I748 PolarHBondContact N-O 2.94Å; W739-I748 PolarHBondContact O-N 2.66Å; P741-I748 HydrophobicContact CG-CD1 3.94Å; V746-I748 HydrophobicContact CG1-CD1 4.48Å; V746-I748 HydrophobicContact CG1-CG1 3.95Å; I748-V750 HydrophobicContact CG2-CG1 4.14Å; I748-V750 PolarHBondContact O-N 2.94Å; I748-A1020 HydrophobicContact CG2-CB 3.78Å; I748-Y1023 HydrophobicContact CD1-CD1 3.4Å; I748-Y1023 HydrophobicContact CD1-CD2 3.83Å; I748-Y1023 HydrophobicContact CD1-CE1 3.63Å; I748-Y1023 HydrophobicContact CD1-CE2 4.04Å; I748-Y1023 HydrophobicContact CD1-CG 3.5Å; I748-Y1023 HydrophobicContact CG1-CD2 4.49Å; I748-Y1023 HydrophobicContact CG1-CG 4.3Å
749	P	87.8	Confident	77.9	Confident	23 Å²	23	53.3 Å²	53.3	15%	0.149	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	121.8	179.5	30.8	-31.6	0	0	0	111	L800 V1018	P749-L800 HydrophobicContact CB-CB 4.25Å; P749-L800 HydrophobicContact CB-CD2 4.09Å; P749-L800 WeakPolarHBondContact O-CB 3.46Å; P749-L800 PolarHBondContact O-N 3.23Å; P749-V1018 WeakPolarHBondContact CD-O 3Å
750	V	90.7	Very high	75.9	Confident	0 Å²	0	55.6 Å²	55.6	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	156.8	-172.3	-64.5	0	0	0	0	112.7	G737 W739 I748 I752 L786 V797 T798	G737-V750 PolarHBondContact N-O 3.29Å; G737-V750 PolarHBondContact O-N 3.08Å; W739-V750 HydrophobicContact CB-CG1 3.86Å; W739-V750 HydrophobicContact CB-CG2 4.1Å; I748-V750 HydrophobicContact CG2-CG1 4.14Å; I748-V750 PolarHBondContact O-N 2.94Å; V750-I752 HydrophobicContact CG2-CD1 4.14Å; V750-I752 HydrophobicContact CG2-CG1 3.87Å; V750-L786 HydrophobicContact CG1-CD1 3.64Å; V750-V797 HydrophobicContact CB-CG1 3.73Å; V750-V797 HydrophobicContact CG1-CG1 3.91Å; V750-V797 HydrophobicContact CG2-CG1 3.99Å; V750-T798 CarbonylContact C-O 3.57Å; V750-T798 WeakPolarHBondContact CA-O 3.26Å; V750-T798 WeakPolarHBondContact CB-O 3.24Å
751	A	90.3	Very high	74.1	Confident	11 Å²	11	58 Å²	58	9%	0.091	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	123.9	164.8	0	0	0	0	0	109	V734 Y735 V797 T798 L800	V734-A751 HydrophobicContact CG1-CB 4.12Å; Y735-A751 CarbonylContact O-C 3.59Å; Y735-A751 WeakPolarHBondContact O-CA 3.46Å; A751-V797 WeakPolarHBondContact O-CA 3.39Å; A751-T798 PolarHBondContact N-O 2.9Å; A751-T798 PolarHBondContact O-N 3.28Å; A751-L800 HydrophobicContact CB-CD1 4.36Å
752	I	89.6	Confident	72.4	Confident	0 Å²	0	63.8 Å²	63.8	0%	0	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	102.1	-176.9	-54.1	174.8	0	0	0	108.4	L720 K722 V734 Y735 V750 V754 Q795 V797	L720-I752 HydrophobicContact CB-CD1 4.22Å; L720-I752 HydrophobicContact CD2-CD1 4.12Å; K722-I752 HydrophobicContact CG-CD1 4.03Å; V734-I752 CarbonylContact C-O 3.44Å; V734-I752 WeakPolarHBondContact CA-O 3.38Å; Y735-I752 PolarHBondContact N-O 3.16Å; Y735-I752 PolarHBondContact O-N 2.94Å; V750-I752 HydrophobicContact CG2-CD1 4.14Å; V750-I752 HydrophobicContact CG2-CG1 3.87Å; I752-V754 HydrophobicContact CG2-CG2 4.13Å; I752-V754 PolarHBondContact O-N 3.44Å; I752-Q795 HydrophobicContact CG2-CB 3.95Å; I752-V797 HydrophobicContact CG1-CG1 4.5Å; I752-V797 HydrophobicContact CG1-CG2 4.38Å; I752-V797 HydrophobicContact CG2-CG2 4.44Å
753	K	87.2	Confident	71.4	Confident	24 Å²	24	61.5 Å²	61.5	10%	0.104	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	94.9	177.3	179.6	-179.9	175.2	-173.2	0	109	V734 L755 Q795 L796 D863	V734-K753 HydrophobicContact CG2-CB 4.12Å; V734-K753 HydrophobicContact CG2-CG 4.12Å; K753-L755 HydrophobicContact CD-CD2 4.41Å; K753-L755 HydrophobicContact CG-CD2 4.1Å; K753-L755 PolarHBondContact O-N 3.35Å; K753-Q795 WeakPolarHBondContact O-CA 3.46Å; K753-L796 HydrophobicContact CB-CB 4.32Å; K753-L796 PolarHBondContact N-O 3.05Å; K753-L796 PolarHBondContact O-N 2.81Å; K753-D863 IonicContact NZ-OD1 2.79Å; K753-D863 PolarHBondContact NZ-OD1 2.75Å
754	V	86.4	Confident	70.9	Confident	20 Å²	20	62.5 Å²	62.5	12%	0.121	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	115	175.6	-178.1	0	0	0	0	108.5	G732 T733 Y735 I752 T793 Q795	G732-V754 CarbonylContact C-O 3.48Å; G732-V754 WeakPolarHBondContact CA-O 3.49Å; T733-V754 PolarHBondContact N-O 2.78Å; T733-V754 PolarHBondContact O-N 2.73Å; Y735-V754 HydrophobicContact CD2-CG2 3.84Å; Y735-V754 HydrophobicContact CE2-CB 4.2Å; Y735-V754 HydrophobicContact CE2-CG2 3.74Å; I752-V754 HydrophobicContact CG2-CG2 4.13Å; I752-V754 PolarHBondContact O-N 3.44Å; V754-T793 HydrophobicContact CG1-CG2 4.12Å; V754-T793 WeakPolarHBondContact CG1-OG1 3.25Å; V754-Q795 HydrophobicContact CG2-CB 4.32Å; V754-Q795 HydrophobicContact CG2-CG 4.2Å
755	L	77.1	Confident	70.2	Confident	15 Å²	15	67.1 Å²	67.1	8%	0.079	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	151	-178.4	-56.6	179.6	0	0	0	111.3	F731 K753 I767 V794 L796	F731-L755 HydrophobicContact CB-CD2 4.49Å; F731-L755 WeakPolarHBondContact O-CA 3.4Å; K753-L755 HydrophobicContact CD-CD2 4.41Å; K753-L755 HydrophobicContact CG-CD2 4.1Å; K753-L755 PolarHBondContact O-N 3.35Å; L755-I767 HydrophobicContact CD1-CD1 4.14Å; L755-I767 HydrophobicContact CD1-CG1 4.19Å; L755-I767 HydrophobicContact CD1-CG2 3.58Å; L755-V794 HydrophobicContact CD1-CB 4.12Å; L755-V794 HydrophobicContact CD1-CG1 4.03Å; L755-V794 PolarHBondContact N-O 3.44Å; L755-L796 HydrophobicContact CD1-CD1 4.24Å; L755-L796 HydrophobicContact CD1-CG 4.36Å; L755-L796 HydrophobicContact CD2-CD1 4.36Å
756	R	68.5	Low	69.7	Low	150 Å²	150	62.3 Å²	62.3	57%	0.566	32%	0.322	S	S	*	.			trans	-73.2	140.4	175.6	-59	-172.5	-174.1	-136.7	2.7	110.6	G729 A730 F731 N758	G729-R756 PolarHBondContact O-NE 3.2Å; G729-R756 PolarHBondContact O-NH2 2.83Å; A730-R756 PolarHBondContact O-NE 3.28Å; F731-R756 PolarHBondContact O-N 3.22Å; R756-N758 PolarHBondContact O-N 2.82Å; R756-N758 VanDerWaalsContact O-N 3.14Å
757	E	58.3	Low	69.1	Low	128 Å²	128	62.1 Å²	62.1	60%	0.598	32%	0.319	S	S	*	.			trans	-65.2	110	179.5	-62.9	-178.6	174	0	0	111.7	T793	E757-T793 HydrophobicContact CG-CG2 3.62Å
758	N	50.9	Low	68.5	Low	115 Å²	115	62.5 Å²	62.5	62%	0.615	32%	0.324	S	S	*	.			trans	-116.1	102.8	168.2	-80.9	-26.5	0	0	0	108.3	R756 S760 A763	R756-N758 PolarHBondContact O-N 2.82Å; R756-N758 VanDerWaalsContact O-N 3.14Å; N758-S760 PolarHBondContact O-N 3.17Å; N758-A763 HydrophobicContact CB-CB 4.41Å
759	T	47	Very low	67.6	Low	143 Å²	143	65.9 Å²	65.9	88%	0.877	34%	0.342	S	S	*	.			trans	-73.1	28.5	-164.4	49.3	0	0	0	0	116.2
760	S	47.2	Very low	66.5	Low	54 Å²	54	66.4 Å²	66.4	38%	0.378	34%	0.342	S	S	.	.			trans	-104	134.5	178.3	79.1	0	0	0	0	112.2	N758 K762 A763 N764	N758-S760 PolarHBondContact O-N 3.17Å; S760-K762 PolarHBondContact O-N 3.49Å; S760-A763 PolarHBondContact O-N 3.15Å; S760-A763 VanDerWaalsContact O-N 3.17Å; S760-A763 VanDerWaalsContact OG-CB 3.29Å; S760-A763 WeakPolarHBondContact OG-CB 3.01Å; S760-A763 PolarHBondContact OG-N 3.35Å; S760-N764 PolarHBondContact O-N 3.24Å
761	P	49.9	Very low	65.6	Low	111 Å²	111	66.4 Å²	66.4	72%	0.721	34%	0.342	S	S	*	.	H	α-helix	trans	-58.6	-29.4	174	-27.1	35.8	0	0	0	113.9	N764 K765	P761-N764 PolarHBondContact O-N 2.8Å; P761-K765 PolarHBondContact O-N 3.15Å
762	K	46.4	Very low	64.7	Low	127 Å²	127	69.1 Å²	69.1	55%	0.552	35%	0.351	S	S	*	.	H	α-helix	trans	-62.2	-46.4	175.8	-170	-176.1	177.3	-169.4	0	111.4	S760 N764 K765 E766	S760-K762 PolarHBondContact O-N 3.49Å; K762-N764 VanDerWaalsContact C-N 3.33Å; K762-N764 PolarHBondContact O-N 2.83Å; K762-K765 PolarHBondContact O-N 2.79Å; K762-E766 VanDerWaalsContact CE-OE1 3.26Å; K762-E766 WeakPolarHBondContact CE-OE1 3.25Å; K762-E766 IonicContact NZ-OE1 2.9Å; K762-E766 PolarHBondContact O-N 2.94Å
763	A	56.5	Low	63.7	Low	16 Å²	16	69.8 Å²	69.8	13%	0.132	35%	0.354	C	S	.	.	H	α-helix	trans	-62.2	-39.5	177.6	0	0	0	0	0	112	N758 S760 K765 E766 I767	N758-A763 HydrophobicContact CB-CB 4.41Å; S760-A763 PolarHBondContact O-N 3.15Å; S760-A763 VanDerWaalsContact O-N 3.17Å; S760-A763 VanDerWaalsContact OG-CB 3.29Å; S760-A763 WeakPolarHBondContact OG-CB 3.01Å; S760-A763 PolarHBondContact OG-N 3.35Å; A763-K765 VanDerWaalsContact C-N 3.31Å; A763-K765 PolarHBondContact O-N 3.47Å; A763-E766 PolarHBondContact O-N 2.91Å; A763-I767 WeakPolarHBondContact O-CB 3.45Å; A763-I767 WeakPolarHBondContact O-CD1 3.4Å; A763-I767 VanDerWaalsContact O-CG1 3.24Å; A763-I767 WeakPolarHBondContact O-CG1 3.4Å; A763-I767 PolarHBondContact O-N 3.23Å
764	N	61.8	Low	63.1	Low	84 Å²	84	68.9 Å²	68.9	45%	0.449	35%	0.351	S	S	.	.	H	α-helix	trans	-61.3	-38.3	176.6	-73.1	-2.6	0	0	0	112.4	S760 P761 K762 L768	S760-N764 PolarHBondContact O-N 3.24Å; P761-N764 PolarHBondContact O-N 2.8Å; K762-N764 VanDerWaalsContact C-N 3.33Å; K762-N764 PolarHBondContact O-N 2.83Å; N764-L768 VanDerWaalsContact O-CG 3.31Å; N764-L768 WeakPolarHBondContact O-CG 3.33Å; N764-L768 PolarHBondContact O-N 2.83Å
765	K	62.3	Low	62.6	Low	133 Å²	133	68 Å²	68	58%	0.578	35%	0.346	S	S	*	.	H	α-helix	trans	-65.3	-50.3	172.6	-178.3	178.3	172.2	178.9	0	111.1	P761 K762 A763 I767 L768 D769	P761-K765 PolarHBondContact O-N 3.15Å; K762-K765 PolarHBondContact O-N 2.79Å; A763-K765 VanDerWaalsContact C-N 3.31Å; A763-K765 PolarHBondContact O-N 3.47Å; K765-I767 VanDerWaalsContact C-N 3.26Å; K765-I767 PolarHBondContact O-N 3.45Å; K765-L768 PolarHBondContact O-N 3.42Å; K765-D769 WeakPolarHBondContact CE-OD2 2.97Å; K765-D769 WeakPolarHBondContact CG-OD2 3.37Å; K765-D769 PolarHBondContact O-N 3.11Å
766	E	63.4	Low	62.4	Low	70 Å²	70	68.3 Å²	68.3	33%	0.327	35%	0.352	S	S	.	.	H	α-helix	trans	-60.6	-35.8	-177.1	-68.4	177.9	153.3	0	0	112.2	K762 A763 E770 R868	K762-E766 VanDerWaalsContact CE-OE1 3.26Å; K762-E766 WeakPolarHBondContact CE-OE1 3.25Å; K762-E766 IonicContact NZ-OE1 2.9Å; K762-E766 PolarHBondContact O-N 2.94Å; A763-E766 PolarHBondContact O-N 2.91Å; E766-E770 WeakPolarHBondContact O-CB 3.29Å; E766-E770 PolarHBondContact O-N 2.95Å; E766-R868 VanDerWaalsContact CD-NH2 3.33Å; E766-R868 IonicContact OE1-CZ 3.89Å; E766-R868 IonicContact OE1-NH2 3.26Å; E766-R868 PolarHBondContact OE1-NH2 2.72Å
767	I	65.7	Low	62.8	Low	29 Å²	29	61.3 Å²	61.3	15%	0.149	33%	0.326	C	S	.	.	H	α-helix	trans	-68.4	-35.6	173.5	-70	163.4	0	0	0	112.5	L755 A763 K765 A771 V794	L755-I767 HydrophobicContact CD1-CD1 4.14Å; L755-I767 HydrophobicContact CD1-CG1 4.19Å; L755-I767 HydrophobicContact CD1-CG2 3.58Å; A763-I767 WeakPolarHBondContact O-CB 3.45Å; A763-I767 WeakPolarHBondContact O-CD1 3.4Å; A763-I767 VanDerWaalsContact O-CG1 3.24Å; A763-I767 WeakPolarHBondContact O-CG1 3.4Å; A763-I767 PolarHBondContact O-N 3.23Å; K765-I767 VanDerWaalsContact C-N 3.26Å; K765-I767 PolarHBondContact O-N 3.45Å; I767-A771 WeakPolarHBondContact O-CB 3.4Å; I767-A771 PolarHBondContact O-N 3.31Å; I767-V794 HydrophobicContact CG2-CB 4.35Å; I767-V794 HydrophobicContact CG2-CG1 3.83Å; I767-V794 HydrophobicContact CG2-CG2 4.47Å
768	L	68	Low	63.8	Low	59 Å²	59	58 Å²	58	31%	0.309	33%	0.326	S	S	.	.	H	α-helix	trans	-73	-42.4	175.9	-73.2	169.6	0	0	0	111.3	M712 N764 K765 E770 A771 Y772 I788 L790	M712-L768 HydrophobicContact CE-CD2 3.76Å; N764-L768 VanDerWaalsContact O-CG 3.31Å; N764-L768 WeakPolarHBondContact O-CG 3.33Å; N764-L768 PolarHBondContact O-N 2.83Å; K765-L768 PolarHBondContact O-N 3.42Å; L768-E770 VanDerWaalsContact C-N 3.32Å; L768-E770 PolarHBondContact O-N 2.93Å; L768-A771 PolarHBondContact O-N 3.29Å; L768-Y772 WeakPolarHBondContact O-CD2 3.43Å; L768-Y772 PolarHBondContact O-N 2.87Å; L768-I788 HydrophobicContact CD2-CD1 4Å; L768-L790 HydrophobicContact CD2-CD2 4.4Å
769	D	64.1	Low	65.5	Low	72 Å²	72	53.2 Å²	53.2	39%	0.385	30%	0.302	S	S	.	.	H	α-helix	trans	-60.4	-41.8	174.3	-66.2	-21.3	0	0	0	110.7	K765 Y772 V773	K765-D769 WeakPolarHBondContact CE-OD2 2.97Å; K765-D769 WeakPolarHBondContact CG-OD2 3.37Å; K765-D769 PolarHBondContact O-N 3.11Å; D769-Y772 PolarHBondContact O-N 3.15Å; D769-V773 WeakPolarHBondContact O-CG2 3.45Å; D769-V773 PolarHBondContact O-N 2.92Å; D769-V773 VanDerWaalsContact O-N 3.14Å
770	E	65	Low	67.6	Low	33 Å²	33	49.6 Å²	49.6	15%	0.154	28%	0.281	C	S	.	.	H	α-helix	trans	-57.8	-49.9	170	-177.2	-170.5	160.6	0	0	111.7	E766 L768 Y772 V773 M774 G865	E766-E770 WeakPolarHBondContact O-CB 3.29Å; E766-E770 PolarHBondContact O-N 2.95Å; L768-E770 VanDerWaalsContact C-N 3.32Å; L768-E770 PolarHBondContact O-N 2.93Å; E770-Y772 PolarHBondContact O-N 3.14Å; E770-V773 WeakPolarHBondContact O-CB 3.38Å; E770-V773 PolarHBondContact O-N 3.09Å; E770-M774 HydrophobicContact CG-SD 4.39Å; E770-M774 WeakPolarHBondContact O-CG 3.29Å; E770-M774 PolarHBondContact O-N 3.17Å; E770-G865 VanDerWaalsContact CD-CA 3.47Å; E770-G865 WeakPolarHBondContact OE1-CA 3.47Å
771	A	72.2	Confident	69.8	Low	0 Å²	0	49.9 Å²	49.9	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-63.9	-36.9	-178.9	0	0	0	0	0	112.9	M712 I767 L768 M774 A775 L785 I788 L796	M712-A771 HydrophobicContact CE-CB 3.54Å; M712-A771 HydrophobicContact SD-CB 3.85Å; I767-A771 WeakPolarHBondContact O-CB 3.4Å; I767-A771 PolarHBondContact O-N 3.31Å; L768-A771 PolarHBondContact O-N 3.29Å; A771-M774 PolarHBondContact O-N 2.8Å; A771-A775 WeakPolarHBondContact O-CB 3.29Å; A771-A775 PolarHBondContact O-N 3.1Å; A771-L785 HydrophobicContact CB-CD2 3.92Å; A771-I788 HydrophobicContact CB-CD1 3.98Å; A771-L796 HydrophobicContact CB-CD2 3.97Å
772	Y	71.6	Confident	71.8	Confident	69 Å²	69	44.7 Å²	44.7	27%	0.271	24%	0.241	S	C	.	.	H	α-helix	trans	-63.7	-41.6	173.2	-78.3	-58.7	0	0	0	112	P707 Q709 M712 L768 D769 E770 A775 G776	P707-Y772 WeakPolarHBondContact CB-O 3.36Å; Q709-Y772 HydrophobicContact CB-CD1 4.11Å; Q709-Y772 HydrophobicContact CB-CE1 3.86Å; Q709-Y772 HydrophobicContact CG-CD1 3.94Å; Q709-Y772 HydrophobicContact CG-CE1 3.84Å; M712-Y772 HydrophobicContact CB-CD1 4.04Å; M712-Y772 HydrophobicContact CB-CE1 4.1Å; M712-Y772 HydrophobicContact CG-CD1 4.35Å; M712-Y772 HydrophobicContact CG-CE1 4.33Å; M712-Y772 HydrophobicContact SD-CD1 3.31Å; M712-Y772 WeakPolarHBondContact SD-CD1 3.4Å; M712-Y772 HydrophobicContact SD-CD2 4.24Å; M712-Y772 HydrophobicContact SD-CE1 3.51Å; M712-Y772 VanDerWaalsContact SD-CE1 3.51Å; M712-Y772 HydrophobicContact SD-CE2 4.4Å; M712-Y772 HydrophobicContact SD-CG 3.7Å; L768-Y772 WeakPolarHBondContact O-CD2 3.43Å; L768-Y772 PolarHBondContact O-N 2.87Å; D769-Y772 PolarHBondContact O-N 3.15Å; E770-Y772 PolarHBondContact O-N 3.14Å; Y772-A775 PolarHBondContact O-N 3.27Å; Y772-G776 PolarHBondContact O-N 3.33Å
773	V	68.5	Low	73.8	Confident	13 Å²	13	38.7 Å²	38.7	8%	0.079	22%	0.215	C	C	.	.	H	α-helix	trans	-60	-47.9	171.9	169.5	0	0	0	0	110.7	P707 D769 E770 A775 G776 L841 F864	P707-V773 HydrophobicContact CB-CG2 4.33Å; P707-V773 HydrophobicContact CG-CB 4.49Å; P707-V773 HydrophobicContact CG-CG2 3.56Å; D769-V773 WeakPolarHBondContact O-CG2 3.45Å; D769-V773 PolarHBondContact O-N 2.92Å; D769-V773 VanDerWaalsContact O-N 3.14Å; E770-V773 WeakPolarHBondContact O-CB 3.38Å; E770-V773 PolarHBondContact O-N 3.09Å; V773-A775 VanDerWaalsContact C-N 3.32Å; V773-A775 PolarHBondContact O-N 3.06Å; V773-G776 PolarHBondContact O-N 3.15Å; V773-L841 HydrophobicContact CG1-CD1 3.69Å; V773-L841 HydrophobicContact CG1-CD2 3.58Å; V773-L841 HydrophobicContact CG1-CG 4.29Å; V773-L841 HydrophobicContact CG2-CD2 4.21Å; V773-F864 HydrophobicContact CG1-CD2 4.3Å; V773-F864 HydrophobicContact CG1-CE2 4.13Å
774	M	73.7	Confident	75.1	Confident	6 Å²	6	42.2 Å²	42.2	3%	0.03	22%	0.224	C	C	.	.	H	α-helix	trans	-68.3	-25.4	179.7	-64.7	-172.7	73.3	0	0	114.3	E770 A771 L785 L796 F864	E770-M774 HydrophobicContact CG-SD 4.39Å; E770-M774 WeakPolarHBondContact O-CG 3.29Å; E770-M774 PolarHBondContact O-N 3.17Å; A771-M774 PolarHBondContact O-N 2.8Å; M774-L785 HydrophobicContact CB-CB 3.85Å; M774-L785 PolarHBondContact O-N 2.86Å; M774-L796 HydrophobicContact SD-CD1 4.34Å; M774-F864 HydrophobicContact CB-CE2 4.19Å; M774-F864 HydrophobicContact CB-CZ 4.2Å; M774-F864 HydrophobicContact CE-CZ 4.44Å; M774-F864 HydrophobicContact CG-CD2 4.3Å; M774-F864 HydrophobicContact CG-CE2 3.64Å; M774-F864 HydrophobicContact CG-CZ 3.89Å
775	A	76.6	Confident	76.3	Confident	1 Å²	1	38.3 Å²	38.3	1%	0.008	20%	0.204	C	C	.	.	H	α-helix	trans	-76.3	-34.1	178	0	0	0	0	0	112.9	Q711 M712 A771 Y772 V773 R784 L785	Q711-A775 HydrophobicContact CB-CB 4.29Å; Q711-A775 VanDerWaalsContact CB-O 3.31Å; Q711-A775 WeakPolarHBondContact CB-O 3.27Å; Q711-A775 PolarHBondContact OE1-O 2.7Å; Q711-A775 VanDerWaalsContact OE1-O 3.14Å; M712-A775 HydrophobicContact CB-CB 3.75Å; M712-A775 HydrophobicContact CG-CB 4.35Å; A771-A775 WeakPolarHBondContact O-CB 3.29Å; A771-A775 PolarHBondContact O-N 3.1Å; Y772-A775 PolarHBondContact O-N 3.27Å; V773-A775 VanDerWaalsContact C-N 3.32Å; V773-A775 PolarHBondContact O-N 3.06Å; A775-R784 PolarHBondContact O-NE 2.84Å; A775-L785 HydrophobicContact CB-CB 4.41Å; A775-L785 HydrophobicContact CB-CD2 4.48Å
776	G	73	Confident	77.4	Confident	21 Å²	21	32.6 Å²	32.6	22%	0.216	18%	0.179	C	C	.	.	S	Bend	trans	-83.8	-4.2	-174	0	0	0	0	0	116.5	Y772 V773	Y772-G776 PolarHBondContact O-N 3.33Å; V773-G776 PolarHBondContact O-N 3.15Å
777	V	77.3	Confident	78.5	Confident	3 Å²	3	29.2 Å²	29.2	2%	0.018	16%	0.163	C	C	.	.			trans	-75.3	125.3	-179	-63	0	0	0	0	112.1	V782 R784 Y835 L836 L841 F864	V777-V782 HydrophobicContact CB-CG1 4.11Å; V777-V782 HydrophobicContact CG1-CG1 4.27Å; V777-V782 HydrophobicContact CG2-CB 4.49Å; V777-V782 HydrophobicContact CG2-CG1 3.89Å; V777-R784 HydrophobicContact CG2-CB 3.91Å; V777-R784 HydrophobicContact CG2-CG 4.1Å; V777-R784 VanDerWaalsContact O-CD 3.23Å; V777-R784 WeakPolarHBondContact O-CD 3.42Å; V777-R784 WeakPolarHBondContact O-CG 3.44Å; V777-Y835 HydrophobicContact CB-CE1 4.05Å; V777-Y835 HydrophobicContact CG1-CE1 4.23Å; V777-L836 HydrophobicContact CG1-CD2 4.37Å; V777-L841 HydrophobicContact CG1-CD1 4.23Å; V777-F864 HydrophobicContact CG1-CE2 4.07Å; V777-F864 HydrophobicContact CG1-CZ 4.01Å; V777-F864 HydrophobicContact CG2-CZ 4.01Å
778	G	79.4	Confident	79.5	Confident	58 Å²	58	27.9 Å²	27.9	60%	0.598	16%	0.156	S	C	*	.			trans	-109.9	-0	-175.6	0	0	0	0	0	115.9	Y835	G778-Y835 PolarHBondContact N-OH 3.44Å
779	S	86.6	Confident	80.3	Confident	15 Å²	15	25.1 Å²	25.1	11%	0.105	14%	0.142	C	C	.	.			trans	-78.5	135	-179.1	173.2	0	0	0	0	112.2	Y781 V782	S779-Y781 PolarHBondContact O-N 2.72Å; S779-Y781 VanDerWaalsContact O-N 3.07Å; S779-Y781 PolarHBondContact OG-N 3.21Å; S779-V782 PolarHBondContact O-N 3.17Å
780	P	90.5	Very high	81.1	Confident	68 Å²	68	25.9 Å²	25.9	44%	0.442	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66	-11.1	177.2	29.2	-36.2	0	0	0	113.3	H858 K860	P780-H858 PolarHBondContact O-CE1 2.94Å; P780-H858 PolarHBondContact O-NE2 3.49Å; P780-K860 VanDerWaalsContact O-CE 3.31Å; P780-K860 WeakPolarHBondContact O-CE 2.99Å; P780-K860 WeakPolarHBondContact O-CG 3.35Å
781	Y	94	Very high	81.6	Confident	59 Å²	59	26.4 Å²	26.4	23%	0.231	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101	11.1	176.6	-50	-68.5	0	0	0	113.1	S779 Q828 K831 K860 I861	S779-Y781 PolarHBondContact O-N 2.72Å; S779-Y781 VanDerWaalsContact O-N 3.07Å; S779-Y781 PolarHBondContact OG-N 3.21Å; Y781-Q828 HydrophobicContact CD1-CB 3.78Å; Y781-Q828 HydrophobicContact CD1-CG 3.86Å; Y781-Q828 HydrophobicContact CE1-CB 4.04Å; Y781-Q828 HydrophobicContact CE1-CG 3.58Å; Y781-K831 HydrophobicContact CD2-CB 3.63Å; Y781-K831 HydrophobicContact CE2-CB 3.83Å; Y781-K831 HydrophobicContact CE2-CD 3.94Å; Y781-K831 HydrophobicContact CE2-CG 4.47Å; Y781-K831 HydrophobicContact CG-CB 4.34Å; Y781-K860 CarbonylContact O-C 3.56Å; Y781-K860 WeakPolarHBondContact O-CA 3.33Å; Y781-I861 PolarHBondContact O-N 2.72Å
782	V	90.7	Very high	81.6	Confident	3 Å²	3	31.5 Å²	31.5	2%	0.018	19%	0.187	C	C	.	.	B	Isolated β-bridge	trans	-127	142.3	175.5	-174.3	0	0	0	0	109.2	V777 S779 R784 Y835 L836 F864	V777-V782 HydrophobicContact CB-CG1 4.11Å; V777-V782 HydrophobicContact CG1-CG1 4.27Å; V777-V782 HydrophobicContact CG2-CB 4.49Å; V777-V782 HydrophobicContact CG2-CG1 3.89Å; S779-V782 PolarHBondContact O-N 3.17Å; V782-R784 PolarHBondContact O-N 3.35Å; V782-Y835 HydrophobicContact CG2-CD1 4.14Å; V782-L836 HydrophobicContact CG2-CG 4.38Å; V782-F864 HydrophobicContact CG1-CD1 4.2Å; V782-F864 HydrophobicContact CG1-CE1 3.52Å; V782-F864 HydrophobicContact CG1-CZ 3.92Å
783	S	88.5	Confident	81.7	Confident	1 Å²	1	29.4 Å²	29.4	1%	0.007	18%	0.181	C	C	.	.			trans	-82.6	112.1	-179.2	-163.6	0	0	0	0	110.3	I861 F864	S783-I861 VanDerWaalsContact CB-O 3.24Å; S783-I861 WeakPolarHBondContact CB-O 3.01Å; S783-I861 PolarHBondContact N-O 2.86Å; S783-F864 WeakPolarHBondContact O-CE1 3.37Å
784	R	85	Confident	82.3	Confident	90 Å²	90	30.1 Å²	30.1	34%	0.34	19%	0.186	S	C	.	.			trans	-86.4	142.9	-179.9	-169.9	-177.5	174.2	-165	-15.3	111.6	Q711 A775 V777 V782 L786	Q711-R784 VanDerWaalsContact OE1-CZ 3.22Å; A775-R784 PolarHBondContact O-NE 2.84Å; V777-R784 HydrophobicContact CG2-CB 3.91Å; V777-R784 HydrophobicContact CG2-CG 4.1Å; V777-R784 VanDerWaalsContact O-CD 3.23Å; V777-R784 WeakPolarHBondContact O-CD 3.42Å; V777-R784 WeakPolarHBondContact O-CG 3.44Å; V782-R784 PolarHBondContact O-N 3.35Å; R784-L786 PolarHBondContact O-N 3.49Å
785	L	85.8	Confident	82.8	Confident	2 Å²	2	29.9 Å²	29.9	1%	0.01	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	123.8	169.1	-167	72.5	0	0	0	110	A771 M774 A775 G787 L796 V797 T798	A771-L785 HydrophobicContact CB-CD2 3.92Å; M774-L785 HydrophobicContact CB-CB 3.85Å; M774-L785 PolarHBondContact O-N 2.86Å; A775-L785 HydrophobicContact CB-CB 4.41Å; A775-L785 HydrophobicContact CB-CD2 4.48Å; L785-G787 WeakPolarHBondContact CD1-O 3.19Å; L785-G787 WeakPolarHBondContact CG-O 3.27Å; L785-L796 HydrophobicContact CD1-CB 3.77Å; L785-L796 HydrophobicContact CD1-CD2 4.06Å; L785-L796 HydrophobicContact CD1-CG 4.45Å; L785-L796 HydrophobicContact CD2-CD2 4.27Å; L785-V797 WeakPolarHBondContact CD1-O 3.37Å; L785-T798 HydrophobicContact CD1-CG2 4.28Å
786	L	86.4	Confident	83.3	Confident	12 Å²	12	29.9 Å²	29.9	6%	0.063	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	-33.3	173.2	-55.9	176.9	0	0	0	111.1	V750 R784 V797 T798 A1020 L1024	V750-L786 HydrophobicContact CG1-CD1 3.64Å; R784-L786 PolarHBondContact O-N 3.49Å; L786-V797 WeakPolarHBondContact CB-O 3.5Å; L786-V797 HydrophobicContact CD1-CG1 4.47Å; L786-V797 PolarHBondContact N-O 2.92Å; L786-T798 VanDerWaalsContact CD1-C 3.45Å; L786-A1020 HydrophobicContact CD1-CB 3.97Å; L786-A1020 HydrophobicContact CD2-CB 4.12Å; L786-L1024 HydrophobicContact CD2-CD1 3.46Å; L786-L1024 VanDerWaalsContact CD2-CD1 3.46Å
787	G	86	Confident	84	Confident	0 Å²	0	28.9 Å²	28.9	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	176	177.1	175.9	0	0	0	0	0	113.4	R713 L785 V797	R713-G787 CarbonylContact O-C 3.46Å; R713-G787 WeakPolarHBondContact O-CA 3.26Å; L785-G787 WeakPolarHBondContact CD1-O 3.19Å; L785-G787 WeakPolarHBondContact CG-O 3.27Å; G787-V797 PolarHBondContact N-O 3.15Å; G787-V797 WeakPolarHBondContact O-CB 3.5Å; G787-V797 PolarHBondContact O-N 3.33Å
788	I	86.5	Confident	84.6	Confident	0 Å²	0	29.6 Å²	29.6	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	139.5	177.5	-168.3	164.7	0	0	0	109.5	M712 R713 I714 L715 L768 A771 L790 V794 Q795 L796	M712-I788 HydrophobicContact CE-CB 4.19Å; M712-I788 HydrophobicContact CE-CD1 3.7Å; M712-I788 HydrophobicContact CE-CG2 3.69Å; M712-I788 HydrophobicContact CG-CG2 4.31Å; R713-I788 PolarHBondContact O-N 3.02Å; I714-I788 WeakPolarHBondContact CA-O 3.13Å; I714-I788 HydrophobicContact CG1-CG2 4.28Å; L715-I788 PolarHBondContact N-O 2.6Å; L768-I788 HydrophobicContact CD2-CD1 4Å; A771-I788 HydrophobicContact CB-CD1 3.98Å; I788-L790 HydrophobicContact CD1-CD2 3.75Å; I788-L790 HydrophobicContact CG1-CD2 3.91Å; I788-L790 HydrophobicContact CG1-CG 4.33Å; I788-L790 HydrophobicContact CG2-CG 4.41Å; I788-V794 HydrophobicContact CD1-CG1 3.7Å; I788-V794 HydrophobicContact CG1-CG1 3.9Å; I788-Q795 CarbonylContact C-O 3.58Å; I788-Q795 WeakPolarHBondContact CA-O 3.36Å; I788-L796 HydrophobicContact CD1-CD2 4.05Å; I788-L796 HydrophobicContact CG1-CD2 4.13Å
789	C	85.5	Confident	85	Confident	2 Å²	2	27.3 Å²	27.3	1%	0.014	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	118.9	169	-164	0	0	0	0	109.2	L715 L720 Q795	L715-C789 PolarHBondContact O-SG 2.83Å; L720-C789 HydrophobicContact CD1-CB 3.59Å; C789-Q795 HydrophobicContact CB-CB 3.97Å; C789-Q795 HydrophobicContact CB-CG 4.11Å; C789-Q795 PolarHBondContact N-O 2.84Å; C789-Q795 PolarHBondContact O-N 3.44Å
790	L	80	Confident	85	Confident	88 Å²	88	27.5 Å²	27.5	46%	0.461	15%	0.152	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	87.8	-177.1	-63.5	175.8	0	0	0	109.1	L768 I788 V794	L768-L790 HydrophobicContact CD2-CD2 4.4Å; I788-L790 HydrophobicContact CD1-CD2 3.75Å; I788-L790 HydrophobicContact CG1-CD2 3.91Å; I788-L790 HydrophobicContact CG1-CG 4.33Å; I788-L790 HydrophobicContact CG2-CG 4.41Å; L790-V794 HydrophobicContact CD2-CG1 4.34Å; L790-V794 HydrophobicContact CD2-CG2 4.18Å
791	T	75.5	Confident	84.9	Confident	43 Å²	43	24.7 Å²	24.7	26%	0.264	13%	0.133	S	C	.	.	S	Bend	trans	-113	-159	177.2	58.4	0	0	0	0	110	E717 T793 Q795	E717-T791 HydrophobicContact CB-CG2 3.93Å; E717-T791 HydrophobicContact CG-CG2 4.33Å; T791-T793 CarbonylContact C-O 3.58Å; T791-T793 PolarHBondContact N-O 2.71Å; T791-T793 PolarHBondContact O-N 3.16Å; T791-T793 PolarHBondContact OG1-O 2.95Å; T791-Q795 PolarHBondContact OG1-NE2 3.35Å
792	S	72.2	Confident	84.2	Confident	107 Å²	107	23.3 Å²	23.3	75%	0.748	13%	0.131	S	C	*	.	S	Bend	trans	-57	-32.2	168.2	55.3	0	0	0	0	112.4
793	T	73.8	Confident	83.9	Confident	26 Å²	26	24.4 Å²	24.4	16%	0.16	14%	0.135	C	C	.	.	S	Bend	trans	-107.9	146.5	165.1	43.5	0	0	0	0	110.4	V754 E757 T791	V754-T793 HydrophobicContact CG1-CG2 4.12Å; V754-T793 WeakPolarHBondContact CG1-OG1 3.25Å; E757-T793 HydrophobicContact CG-CG2 3.62Å; T791-T793 CarbonylContact C-O 3.58Å; T791-T793 PolarHBondContact N-O 2.71Å; T791-T793 PolarHBondContact O-N 3.16Å; T791-T793 PolarHBondContact OG1-O 2.95Å
794	V	80.6	Confident	83.8	Confident	27 Å²	27	24.9 Å²	24.9	16%	0.164	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	132.8	168	178.2	0	0	0	0	108.5	L755 I767 I788 L790	L755-V794 HydrophobicContact CD1-CB 4.12Å; L755-V794 HydrophobicContact CD1-CG1 4.03Å; L755-V794 PolarHBondContact N-O 3.44Å; I767-V794 HydrophobicContact CG2-CB 4.35Å; I767-V794 HydrophobicContact CG2-CG1 3.83Å; I767-V794 HydrophobicContact CG2-CG2 4.47Å; I788-V794 HydrophobicContact CD1-CG1 3.7Å; I788-V794 HydrophobicContact CG1-CG1 3.9Å; L790-V794 HydrophobicContact CD2-CG1 4.34Å; L790-V794 HydrophobicContact CD2-CG2 4.18Å
795	Q	85.7	Confident	84.1	Confident	1 Å²	1	21.6 Å²	21.6	1%	0.005	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	118.4	-179.1	-29.4	-179.4	23.1	0	0	109.5	K722 I752 K753 V754 I788 C789 T791	K722-Q795 VanDerWaalsContact NZ-CD 3.29Å; K722-Q795 VanDerWaalsContact NZ-NE2 3.12Å; I752-Q795 HydrophobicContact CG2-CB 3.95Å; K753-Q795 WeakPolarHBondContact O-CA 3.46Å; V754-Q795 HydrophobicContact CG2-CB 4.32Å; V754-Q795 HydrophobicContact CG2-CG 4.2Å; I788-Q795 CarbonylContact C-O 3.58Å; I788-Q795 WeakPolarHBondContact CA-O 3.36Å; C789-Q795 HydrophobicContact CB-CB 3.97Å; C789-Q795 HydrophobicContact CB-CG 4.11Å; C789-Q795 PolarHBondContact N-O 2.84Å; C789-Q795 PolarHBondContact O-N 3.44Å; T791-Q795 PolarHBondContact OG1-NE2 3.35Å
796	L	86.2	Confident	84.5	Confident	2 Å²	2	21.5 Å²	21.5	1%	0.01	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	130.3	177.1	-60.3	176.4	0	0	0	109.4	K753 L755 A771 M774 L785 I788	K753-L796 HydrophobicContact CB-CB 4.32Å; K753-L796 PolarHBondContact N-O 3.05Å; K753-L796 PolarHBondContact O-N 2.81Å; L755-L796 HydrophobicContact CD1-CD1 4.24Å; L755-L796 HydrophobicContact CD1-CG 4.36Å; L755-L796 HydrophobicContact CD2-CD1 4.36Å; A771-L796 HydrophobicContact CB-CD2 3.97Å; M774-L796 HydrophobicContact SD-CD1 4.34Å; L785-L796 HydrophobicContact CD1-CB 3.77Å; L785-L796 HydrophobicContact CD1-CD2 4.06Å; L785-L796 HydrophobicContact CD1-CG 4.45Å; L785-L796 HydrophobicContact CD2-CD2 4.27Å; I788-L796 HydrophobicContact CD1-CD2 4.05Å; I788-L796 HydrophobicContact CG1-CD2 4.13Å
797	V	88.9	Confident	84.8	Confident	0 Å²	0	21.7 Å²	21.7	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	121.8	-173.9	-173.2	0	0	0	0	110.7	L715 L720 V750 A751 I752 L785 L786 G787	L715-V797 HydrophobicContact CD1-CB 4.07Å; L715-V797 HydrophobicContact CD1-CG1 4.25Å; L715-V797 HydrophobicContact CD1-CG2 3.99Å; L720-V797 HydrophobicContact CD1-CG2 3.86Å; L720-V797 HydrophobicContact CD2-CG1 4.29Å; L720-V797 HydrophobicContact CD2-CG2 4.14Å; V750-V797 HydrophobicContact CB-CG1 3.73Å; V750-V797 HydrophobicContact CG1-CG1 3.91Å; V750-V797 HydrophobicContact CG2-CG1 3.99Å; A751-V797 WeakPolarHBondContact O-CA 3.39Å; I752-V797 HydrophobicContact CG1-CG1 4.5Å; I752-V797 HydrophobicContact CG1-CG2 4.38Å; I752-V797 HydrophobicContact CG2-CG2 4.44Å; L785-V797 WeakPolarHBondContact CD1-O 3.37Å; L786-V797 WeakPolarHBondContact CB-O 3.5Å; L786-V797 HydrophobicContact CD1-CG1 4.47Å; L786-V797 PolarHBondContact N-O 2.92Å; G787-V797 PolarHBondContact N-O 3.15Å; G787-V797 WeakPolarHBondContact O-CB 3.5Å; G787-V797 PolarHBondContact O-N 3.33Å
798	T	88.9	Confident	85.1	Confident	18 Å²	18	24.6 Å²	24.6	11%	0.11	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	167.1	179	55.4	0	0	0	0	111.5	V750 A751 L785 L786	V750-T798 CarbonylContact C-O 3.57Å; V750-T798 WeakPolarHBondContact CA-O 3.26Å; V750-T798 WeakPolarHBondContact CB-O 3.24Å; A751-T798 PolarHBondContact N-O 2.9Å; A751-T798 PolarHBondContact O-N 3.28Å; L785-T798 HydrophobicContact CD1-CG2 4.28Å; L786-T798 VanDerWaalsContact CD1-C 3.45Å
799	Q	87.8	Confident	85.3	Confident	9 Å²	9	25 Å²	25	4%	0.042	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.4	134	173.1	174.4	179.3	41	0	0	110.4	M801 K854 D1019 A1020 E1021	Q799-M801 HydrophobicContact CB-CE 3.81Å; Q799-M801 HydrophobicContact CG-CE 3.94Å; Q799-M801 HydrophobicContact CG-SD 4.37Å; Q799-M801 PolarHBondContact O-N 3.38Å; Q799-K854 VanDerWaalsContact NE2-CE 3.3Å; Q799-D1019 PolarHBondContact NE2-OD1 3.22Å; Q799-D1019 VanDerWaalsContact NE2-OD1 3.16Å; Q799-D1019 PolarHBondContact NE2-OD2 2.79Å; Q799-A1020 HydrophobicContact CB-CB 3.92Å; Q799-A1020 HydrophobicContact CG-CB 3.9Å; Q799-E1021 PolarHBondContact NE2-OE2 2.9Å; Q799-E1021 PolarHBondContact OE1-OE2 2.74Å
800	L	87.2	Confident	85.6	Confident	19 Å²	19	24.9 Å²	24.9	10%	0.099	15%	0.148	C	C	.	.			trans	-68.8	116	175.7	-177	65.7	0	0	0	110.3	L726 K736 P749 A751 P802 L1008	L726-L800 HydrophobicContact CD1-CD1 3.62Å; K736-L800 HydrophobicContact CG-CD2 4.19Å; P749-L800 HydrophobicContact CB-CB 4.25Å; P749-L800 HydrophobicContact CB-CD2 4.09Å; P749-L800 WeakPolarHBondContact O-CB 3.46Å; P749-L800 PolarHBondContact O-N 3.23Å; A751-L800 HydrophobicContact CB-CD1 4.36Å; L800-P802 WeakPolarHBondContact O-CD 3.41Å; L800-L1008 HydrophobicContact CD2-CD1 4.45Å; L800-L1008 HydrophobicContact CD2-CD2 4.42Å
801	M	87.6	Confident	86.1	Confident	10 Å²	10	24.9 Å²	24.9	5%	0.049	14%	0.142	C	C	.	.			trans	-90.6	109.2	176.7	-57.6	-60.9	167.4	0	0	109.4	Q799 Y803 G804 L852 K854 K860	Q799-M801 HydrophobicContact CB-CE 3.81Å; Q799-M801 HydrophobicContact CG-CE 3.94Å; Q799-M801 HydrophobicContact CG-SD 4.37Å; Q799-M801 PolarHBondContact O-N 3.38Å; M801-Y803 VanDerWaalsContact C-N 3.32Å; M801-Y803 PolarHBondContact O-N 2.03Å; M801-G804 PolarHBondContact O-N 3.5Å; M801-L852 HydrophobicContact CB-CB 3.8Å; M801-L852 HydrophobicContact CB-CD1 4.17Å; M801-L852 HydrophobicContact CG-CB 3.63Å; M801-L852 HydrophobicContact CG-CD1 3.63Å; M801-L852 HydrophobicContact CG-CG 4.26Å; M801-K854 HydrophobicContact SD-CB 3.93Å; M801-K854 HydrophobicContact SD-CG 4.2Å; M801-K860 HydrophobicContact CE-CD 3.74Å; M801-K860 HydrophobicContact SD-CD 4.43Å
802	P	80.1	Confident	86.7	Confident	30 Å²	30	26.6 Å²	26.6	20%	0.195	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.8	-4.4	-158.9	34	-37.1	0	0	0	114.4	L800 F1004 Y1005 L1008	L800-P802 WeakPolarHBondContact O-CD 3.41Å; P802-F1004 WeakPolarHBondContact O-CD1 3.33Å; P802-Y1005 HydrophobicContact CB-CD2 3.85Å; P802-Y1005 HydrophobicContact CB-CE2 3.91Å; P802-Y1005 HydrophobicContact CG-CD2 4.49Å; P802-Y1005 HydrophobicContact CG-CE2 4.3Å; P802-Y1005 WeakPolarHBondContact O-CD2 3.29Å; P802-L1008 HydrophobicContact CB-CD1 3.99Å
803	Y	84	Confident	87.4	Confident	25 Å²	25	22 Å²	22	10%	0.098	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.5	10.3	176.3	-63.9	-90.8	0	0	0	113.4	M801 V853 K854 P856 P999 Y1005	M801-Y803 VanDerWaalsContact C-N 3.32Å; M801-Y803 PolarHBondContact O-N 2.03Å; Y803-V853 HydrophobicContact CD2-CG1 4.4Å; Y803-V853 HydrophobicContact CG-CG1 4.18Å; Y803-V853 PolarHBondContact N-O 3.25Å; Y803-K854 WeakPolarHBondContact CD2-O 3.02Å; Y803-P856 HydrophobicContact CE1-CG 4.49Å; Y803-P999 WeakPolarHBondContact OH-CB 3.35Å; Y803-Y1005 HydrophobicContact CE1-CD2 4.23Å; Y803-Y1005 HydrophobicContact CE2-CD2 4.38Å; Y803-Y1005 HydrophobicContact CE2-CE2 4.36Å
804	G	87.1	Confident	87.8	Confident	12 Å²	12	28.5 Å²	28.5	12%	0.124	14%	0.136	C	C	.	.			trans	76.3	-154.4	175.4	0	0	0	0	0	114.1	M801 L852 V853	M801-G804 PolarHBondContact O-N 3.5Å; G804-L852 WeakPolarHBondContact O-CA 3.29Å; G804-V853 PolarHBondContact O-N 2.9Å
805	C	90.4	Very high	87.8	Confident	20 Å²	20	29.8 Å²	29.8	14%	0.135	16%	0.155	C	C	.	.	B	Isolated β-bridge	trans	-85.7	152.1	174.9	93.1	0	0	0	0	111.6	L807 D808 H809 R849 V851 L852	C805-L807 VanDerWaalsContact C-N 3.33Å; C805-L807 PolarHBondContact O-N 2.9Å; C805-D808 PolarHBondContact O-N 2.8Å; C805-D808 PolarHBondContact SG-OD2 2.89Å; C805-H809 WeakPolarHBondContact O-CB 3.42Å; C805-H809 PolarHBondContact O-N 2.77Å; C805-R849 WeakPolarHBondContact CB-O 3.15Å; C805-V851 CarbonylContact C-O 3.5Å; C805-V851 WeakPolarHBondContact CA-O 3.4Å; C805-L852 HydrophobicContact CB-CD2 4.14Å
806	L	94.3	Very high	87.5	Confident	0 Å²	0	34.3 Å²	34.3	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-67.1	-34.4	-174.3	-176.5	58.5	0	0	0	112	D808 H809 V810 W825 I829 V851 V853 V859 L915	L806-D808 VanDerWaalsContact C-N 3.33Å; L806-D808 PolarHBondContact O-N 2.03Å; L806-H809 PolarHBondContact O-N 3.27Å; L806-V810 HydrophobicContact CD1-CG1 4.05Å; L806-V810 HydrophobicContact CG-CG1 4.43Å; L806-V810 WeakPolarHBondContact O-CG1 3.38Å; L806-V810 WeakPolarHBondContact O-CG2 3.24Å; L806-V810 PolarHBondContact O-N 2.93Å; L806-W825 HydrophobicContact CD1-CD2 3.83Å; L806-W825 HydrophobicContact CD1-CE3 3.75Å; L806-W825 HydrophobicContact CD1-CG 4.41Å; L806-W825 HydrophobicContact CD1-CH2 4.14Å; L806-W825 HydrophobicContact CD1-CZ2 4.23Å; L806-W825 HydrophobicContact CD1-CZ3 3.93Å; L806-W825 HydrophobicContact CD2-CB 4.25Å; L806-W825 HydrophobicContact CD2-CG 4.45Å; L806-I829 HydrophobicContact CD2-CD1 4.03Å; L806-V851 HydrophobicContact CB-CB 4.03Å; L806-V851 HydrophobicContact CB-CG1 4.08Å; L806-V851 WeakPolarHBondContact CB-O 3.02Å; L806-V851 HydrophobicContact CD2-CB 4.18Å; L806-V851 HydrophobicContact CD2-CG1 3.74Å; L806-V851 PolarHBondContact N-O 3.34Å; L806-V853 HydrophobicContact CB-CG2 4.03Å; L806-V853 HydrophobicContact CD1-CG2 3.81Å; L806-V859 HydrophobicContact CD1-CG1 4.25Å; L806-V859 HydrophobicContact CD2-CG1 4.24Å; L806-L915 HydrophobicContact CD1-CD2 4.37Å; L806-L915 HydrophobicContact CD2-CD1 4.3Å; L806-L915 HydrophobicContact CD2-CD2 3.56Å; L806-L915 HydrophobicContact CG-CD2 3.67Å
807	L	93.6	Very high	87.5	Confident	17 Å²	17	35 Å²	35	9%	0.089	18%	0.175	C	C	.	.	H	α-helix	trans	-57.3	-43.3	175.1	178.8	62.4	0	0	0	112.7	C805 V810 R811 A848 R849 G919	C805-L807 VanDerWaalsContact C-N 3.33Å; C805-L807 PolarHBondContact O-N 2.9Å; L807-V810 VanDerWaalsContact O-CG2 3.31Å; L807-V810 WeakPolarHBondContact O-CG2 3.35Å; L807-R811 WeakPolarHBondContact O-CD 3.42Å; L807-R811 VanDerWaalsContact O-CG 3.29Å; L807-R811 WeakPolarHBondContact O-CG 3.3Å; L807-R811 PolarHBondContact O-N 2.75Å; L807-A848 HydrophobicContact CB-CB 3.85Å; L807-A848 HydrophobicContact CD1-CB 4.19Å; L807-A848 PolarHBondContact N-O 3Å; L807-R849 HydrophobicContact CD2-CB 4.18Å; L807-G919 VanDerWaalsContact CD1-CA 3.46Å
808	D	90.6	Very high	87.3	Confident	60 Å²	60	35.6 Å²	35.6	32%	0.321	18%	0.182	S	C	.	.	H	α-helix	trans	-79.7	-35	178.6	-58.2	-39.1	0	0	0	110.8	C805 L806 V810 R811 E812	C805-D808 PolarHBondContact O-N 2.8Å; C805-D808 PolarHBondContact SG-OD2 2.89Å; L806-D808 VanDerWaalsContact C-N 3.33Å; L806-D808 PolarHBondContact O-N 2.03Å; D808-V810 PolarHBondContact O-N 3.19Å; D808-R811 WeakPolarHBondContact O-CB 3.49Å; D808-R811 PolarHBondContact O-N 3.3Å; D808-R811 VanDerWaalsContact O-N 3.13Å; D808-R811 IonicContact OD1-NH1 3.87Å; D808-R811 PolarHBondContact OD1-NH1 3.33Å; D808-E812 PolarHBondContact O-N 3.5Å
809	H	90.5	Very high	87.4	Confident	8 Å²	8	34.9 Å²	34.9	4%	0.037	18%	0.177	C	C	.	.	H	α-helix	trans	-58.4	-42.7	174.4	-166.8	77.9	0	0	0	112.8	C805 L806 R811 N813 W825 V853	C805-H809 WeakPolarHBondContact O-CB 3.42Å; C805-H809 PolarHBondContact O-N 2.77Å; L806-H809 PolarHBondContact O-N 3.27Å; H809-R811 VanDerWaalsContact C-N 3.34Å; H809-N813 WeakPolarHBondContact O-CB 3.42Å; H809-N813 PolarHBondContact O-N 3.08Å; H809-N813 PolarHBondContact O-ND2 3.17Å; H809-W825 AromaticContact CD2-CH2 3.81Å; H809-W825 AromaticContact CD2-CZ2 4Å; H809-V853 HydrophobicContact CB-CG2 3.99Å
810	V	91.9	Very high	87.5	Confident	0 Å²	0	37.8 Å²	37.8	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-71.1	-26.9	176.5	-60.2	0	0	0	0	113.5	L806 L807 D808 R814 L817 W825 L915	L806-V810 HydrophobicContact CD1-CG1 4.05Å; L806-V810 HydrophobicContact CG-CG1 4.43Å; L806-V810 WeakPolarHBondContact O-CG1 3.38Å; L806-V810 WeakPolarHBondContact O-CG2 3.24Å; L806-V810 PolarHBondContact O-N 2.93Å; L807-V810 VanDerWaalsContact O-CG2 3.31Å; L807-V810 WeakPolarHBondContact O-CG2 3.35Å; D808-V810 PolarHBondContact O-N 3.19Å; V810-R814 WeakPolarHBondContact O-CA 3.49Å; V810-R814 WeakPolarHBondContact O-CB 3.47Å; V810-R814 PolarHBondContact O-N 2.81Å; V810-L817 HydrophobicContact CB-CD1 4.18Å; V810-L817 HydrophobicContact CG1-CD1 4.07Å; V810-W825 HydrophobicContact CG1-CE3 4.29Å; V810-W825 HydrophobicContact CG1-CH2 4.33Å; V810-W825 HydrophobicContact CG1-CZ3 3.61Å; V810-L915 HydrophobicContact CG1-CD2 3.96Å
811	R	91.7	Very high	87.8	Confident	88 Å²	88	38.9 Å²	38.9	33%	0.332	20%	0.197	S	C	.	.	H	α-helix	trans	-74	-48.3	173.8	-71.1	166.8	175	164.1	-2.3	111.6	L807 D808 H809 N813 F918 G919	L807-R811 WeakPolarHBondContact O-CD 3.42Å; L807-R811 VanDerWaalsContact O-CG 3.29Å; L807-R811 WeakPolarHBondContact O-CG 3.3Å; L807-R811 PolarHBondContact O-N 2.75Å; D808-R811 WeakPolarHBondContact O-CB 3.49Å; D808-R811 PolarHBondContact O-N 3.3Å; D808-R811 VanDerWaalsContact O-N 3.13Å; D808-R811 IonicContact OD1-NH1 3.87Å; D808-R811 PolarHBondContact OD1-NH1 3.33Å; H809-R811 VanDerWaalsContact C-N 3.34Å; R811-N813 VanDerWaalsContact C-N 3.34Å; R811-N813 PolarHBondContact O-N 3.04Å; R811-F918 WeakPolarHBondContact CG-O 3.39Å; R811-G919 PolarHBondContact NE-O 2.94Å; R811-G919 PolarHBondContact NH2-O 3.21Å
812	E	88.1	Confident	88.1	Confident	79 Å²	79	38.4 Å²	38.4	37%	0.369	20%	0.195	S	C	.	.	H	α-helix	trans	-59	-43.8	176.2	-74.7	-161.6	144	0	0	111.5	D808 S1002 T1003	D808-E812 PolarHBondContact O-N 3.5Å; E812-S1002 WeakPolarHBondContact OE2-CA 3.37Å; E812-S1002 WeakPolarHBondContact OE2-CB 3.4Å; E812-S1002 PolarHBondContact OE2-OG 2.93Å; E812-T1003 VanDerWaalsContact OE1-CB 3.28Å; E812-T1003 WeakPolarHBondContact OE1-CB 3.39Å; E812-T1003 VanDerWaalsContact OE1-CG2 3.28Å; E812-T1003 WeakPolarHBondContact OE1-CG2 3.42Å; E812-T1003 PolarHBondContact OE1-N 3.41Å; E812-T1003 PolarHBondContact OE1-OG1 3.29Å
813	N	85.7	Confident	88.8	Confident	12 Å²	12	37 Å²	37	6%	0.064	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.1	7.6	-167.8	-63.5	-83.9	0	0	0	114.5	H809 R811 G815 R816 L817	H809-N813 WeakPolarHBondContact O-CB 3.42Å; H809-N813 PolarHBondContact O-N 3.08Å; H809-N813 PolarHBondContact O-ND2 3.17Å; R811-N813 VanDerWaalsContact C-N 3.34Å; R811-N813 PolarHBondContact O-N 3.04Å; N813-G815 PolarHBondContact O-N 3.11Å; N813-R816 PolarHBondContact O-N 3.25Å; N813-L817 HydrophobicContact CB-CD1 4.13Å; N813-L817 HydrophobicContact CB-CD2 4.15Å; N813-L817 HydrophobicContact CB-CG 4Å
814	R	83.8	Confident	89.3	Confident	161 Å²	161	37.9 Å²	37.9	61%	0.608	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	-42.8	-35.6	-174.6	177.4	170.7	-177.2	-159.1	-2.1	115.8	V810 R816 F918	V810-R814 WeakPolarHBondContact O-CA 3.49Å; V810-R814 WeakPolarHBondContact O-CB 3.47Å; V810-R814 PolarHBondContact O-N 2.81Å; R814-R816 VanDerWaalsContact C-N 3.32Å; R814-R816 PolarHBondContact O-N 3.49Å; R814-F918 HydrophobicContact CB-CB 4.28Å; R814-F918 HydrophobicContact CB-CD1 4.09Å; R814-F918 HydrophobicContact CB-CG 4.29Å; R814-F918 HydrophobicContact CG-CB 3.88Å; R814-F918 HydrophobicContact CG-CD1 3.73Å; R814-F918 HydrophobicContact CG-CD2 4.08Å; R814-F918 HydrophobicContact CG-CE1 4.24Å; R814-F918 HydrophobicContact CG-CG 3.63Å
815	G	79.5	Confident	89.7	Confident	54 Å²	54	37.4 Å²	37.4	56%	0.557	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.9	6.4	179.1	0	0	0	0	0	116.2	N813	N813-G815 PolarHBondContact O-N 3.11Å
816	R	80.6	Confident	90.1	Very high	97 Å²	97	36.4 Å²	36.4	37%	0.366	18%	0.18	S	C	.	.	S	Bend	trans	-138.2	2.3	-173	-64	177.1	171.2	-169.7	-6.2	114.4	N813 R814 D1001	N813-R816 PolarHBondContact O-N 3.25Å; R814-R816 VanDerWaalsContact C-N 3.32Å; R814-R816 PolarHBondContact O-N 3.49Å; R816-D1001 IonicContact CZ-OD2 3.45Å; R816-D1001 IonicContact NH1-OD2 3.72Å; R816-D1001 PolarHBondContact NH1-OD2 2.94Å; R816-D1001 IonicContact NH2-OD2 2.68Å; R816-D1001 PolarHBondContact NH2-OD2 3.08Å
817	L	85.4	Confident	90.2	Very high	15 Å²	15	37.7 Å²	37.7	8%	0.079	19%	0.186	C	C	.	.			trans	-97.5	126.3	-177.2	-64.1	176.3	0	0	0	110	V810 N813 D821 W825 F918 I989	V810-L817 HydrophobicContact CB-CD1 4.18Å; V810-L817 HydrophobicContact CG1-CD1 4.07Å; N813-L817 HydrophobicContact CB-CD1 4.13Å; N813-L817 HydrophobicContact CB-CD2 4.15Å; N813-L817 HydrophobicContact CB-CG 4Å; L817-D821 HydrophobicContact CD2-CB 4.48Å; L817-W825 HydrophobicContact CD1-CH2 3.84Å; L817-W825 HydrophobicContact CD1-CZ3 3.91Å; L817-W825 HydrophobicContact CD2-CH2 3.57Å; L817-W825 HydrophobicContact CD2-CZ2 4.39Å; L817-W825 HydrophobicContact CD2-CZ3 4.31Å; L817-W825 HydrophobicContact CG-CH2 4.3Å; L817-F918 HydrophobicContact CB-CE1 4.42Å; L817-I989 VanDerWaalsContact O-CD1 3.29Å; L817-I989 WeakPolarHBondContact O-CD1 3.47Å
818	G	85.8	Confident	90.4	Very high	14 Å²	14	37.5 Å²	37.5	14%	0.144	19%	0.185	C	C	.	.			trans	-87.5	166.9	177.9	0	0	0	0	0	112.9	Q820 D821 L822	G818-Q820 PolarHBondContact O-N 3.27Å; G818-D821 PolarHBondContact N-OD2 3.3Å; G818-D821 PolarHBondContact O-N 3.17Å; G818-D821 VanDerWaalsContact O-N 3.11Å; G818-L822 PolarHBondContact O-N 3.03Å
819	S	90.6	Very high	90.7	Very high	2 Å²	2	34.7 Å²	34.7	1%	0.014	17%	0.17	C	C	.	.	H	α-helix	trans	-53.4	-36.6	172.1	55.6	0	0	0	0	112.1	L823 P983 V987 E992	S819-L823 WeakPolarHBondContact O-CG 3.5Å; S819-L823 PolarHBondContact O-N 3.45Å; S819-P983 WeakPolarHBondContact OG-CB 3.35Å; S819-V987 VanDerWaalsContact CB-O 3.23Å; S819-V987 WeakPolarHBondContact CB-O 3.47Å; S819-E992 WeakPolarHBondContact CB-OE1 3.32Å; S819-E992 PolarHBondContact N-OE1 2.86Å; S819-E992 PolarHBondContact OG-OE1 2.86Å
820	Q	90.2	Very high	91.1	Very high	71 Å²	71	34.3 Å²	34.3	33%	0.332	17%	0.168	S	C	.	.	H	α-helix	trans	-62.5	-39	178.1	-174.3	65.2	90.9	0	0	113.2	G818 N824 A980 P983	G818-Q820 PolarHBondContact O-N 3.27Å; Q820-N824 PolarHBondContact NE2-ND2 2.62Å; Q820-N824 PolarHBondContact NE2-OD1 3.49Å; Q820-N824 WeakPolarHBondContact O-CB 3.37Å; Q820-N824 PolarHBondContact O-N 3.43Å; Q820-N824 PolarHBondContact O-ND2 3.28Å; Q820-N824 VanDerWaalsContact O-ND2 3.09Å; Q820-A980 PolarHBondContact NE2-O 2.68Å; Q820-A980 PolarHBondContact OE1-O 3.45Å; Q820-P983 HydrophobicContact CB-CB 4.33Å; Q820-P983 HydrophobicContact CB-CG 3.99Å
821	D	91.6	Very high	91.3	Very high	42 Å²	42	37.3 Å²	37.3	23%	0.225	18%	0.181	C	C	.	.	H	α-helix	trans	-70.5	-50	-176.3	-57.4	-46.1	0	0	0	110.5	L817 G818 L823 N824 W825	L817-D821 HydrophobicContact CD2-CB 4.48Å; G818-D821 PolarHBondContact N-OD2 3.3Å; G818-D821 PolarHBondContact O-N 3.17Å; G818-D821 VanDerWaalsContact O-N 3.11Å; D821-L823 PolarHBondContact O-N 3.22Å; D821-N824 PolarHBondContact O-N 3.22Å; D821-W825 HydrophobicContact CB-CH2 4.29Å; D821-W825 HydrophobicContact CB-CZ2 4.34Å; D821-W825 HydrophobicContact CB-CZ3 4.41Å; D821-W825 PolarHBondContact O-N 2.81Å
822	L	94.3	Very high	91.5	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-57.5	-49.2	178.5	-62.2	177.5	0	0	0	111.4	G818 N824 W825 C826 L915 M916 F918 I946 V987 I989	G818-L822 PolarHBondContact O-N 3.03Å; L822-N824 PolarHBondContact O-N 3.25Å; L822-W825 HydrophobicContact CD2-CE3 4.1Å; L822-W825 HydrophobicContact CD2-CZ3 3.95Å; L822-W825 PolarHBondContact O-N 3.23Å; L822-C826 PolarHBondContact O-N 2.99Å; L822-C826 PolarHBondContact O-SG 2.99Å; L822-L915 HydrophobicContact CD2-CB 4.44Å; L822-M916 HydrophobicContact CB-CE 4.09Å; L822-M916 HydrophobicContact CB-SD 4.23Å; L822-M916 HydrophobicContact CD1-SD 4.08Å; L822-F918 HydrophobicContact CD1-CE1 4.29Å; L822-F918 HydrophobicContact CD1-CZ 4.34Å; L822-I946 HydrophobicContact CD1-CD1 3.7Å; L822-V987 HydrophobicContact CD1-CG1 4.27Å; L822-I989 HydrophobicContact CD1-CD1 4Å
823	L	94.9	Very high	91.9	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-68.9	-32.8	179.6	-70.1	169.1	0	0	0	112.6	S819 D821 M827 M916 F976 M979 A980 P983 F986 V987	S819-L823 WeakPolarHBondContact O-CG 3.5Å; S819-L823 PolarHBondContact O-N 3.45Å; D821-L823 PolarHBondContact O-N 3.22Å; L823-M827 WeakPolarHBondContact O-CB 3.43Å; L823-M827 PolarHBondContact O-N 3.28Å; L823-M916 HydrophobicContact CD2-CE 3.87Å; L823-M916 HydrophobicContact CG-CE 4.36Å; L823-F976 HydrophobicContact CD2-CD1 3.81Å; L823-F976 HydrophobicContact CD2-CE1 3.93Å; L823-M979 HydrophobicContact CD1-CB 4.29Å; L823-M979 HydrophobicContact CD2-CB 4.15Å; L823-A980 HydrophobicContact CB-CB 4.18Å; L823-P983 HydrophobicContact CD1-CB 3.64Å; L823-F986 HydrophobicContact CD1-CB 4.28Å; L823-V987 HydrophobicContact CD1-CB 4.49Å; L823-V987 HydrophobicContact CD1-CG2 3.99Å; L823-V987 HydrophobicContact CD2-CG2 4.09Å; L823-V987 HydrophobicContact CG-CG2 4Å
824	N	94.4	Very high	92.4	Very high	44 Å²	44	29.5 Å²	29.5	24%	0.235	15%	0.149	C	C	.	.	H	α-helix	trans	-64.6	-43	172.2	-84.2	-29.7	0	0	0	111.9	Q820 D821 L822 M827 Q828	Q820-N824 PolarHBondContact NE2-ND2 2.62Å; Q820-N824 PolarHBondContact NE2-OD1 3.49Å; Q820-N824 WeakPolarHBondContact O-CB 3.37Å; Q820-N824 PolarHBondContact O-N 3.43Å; Q820-N824 PolarHBondContact O-ND2 3.28Å; Q820-N824 VanDerWaalsContact O-ND2 3.09Å; D821-N824 PolarHBondContact O-N 3.22Å; L822-N824 PolarHBondContact O-N 3.25Å; N824-M827 PolarHBondContact O-N 3.23Å; N824-M827 WeakPolarHBondContact OD1-CE 3.1Å; N824-Q828 WeakPolarHBondContact O-CB 3.33Å; N824-Q828 VanDerWaalsContact O-CG 3.26Å; N824-Q828 WeakPolarHBondContact O-CG 3.44Å; N824-Q828 PolarHBondContact O-N 3.2Å
825	W	96.7	Very high	92.9	Very high	1 Å²	1	24.6 Å²	24.6	0%	0.004	13%	0.131	C	C	.	.	H	α-helix	trans	-67.3	-41.1	176.5	-60.6	-31.8	0	0	0	112.2	L806 H809 V810 L817 D821 L822 M827 Q828 I829 P856 V859 L915	L806-W825 HydrophobicContact CD1-CD2 3.83Å; L806-W825 HydrophobicContact CD1-CE3 3.75Å; L806-W825 HydrophobicContact CD1-CG 4.41Å; L806-W825 HydrophobicContact CD1-CH2 4.14Å; L806-W825 HydrophobicContact CD1-CZ2 4.23Å; L806-W825 HydrophobicContact CD1-CZ3 3.93Å; L806-W825 HydrophobicContact CD2-CB 4.25Å; L806-W825 HydrophobicContact CD2-CG 4.45Å; H809-W825 AromaticContact CD2-CH2 3.81Å; H809-W825 AromaticContact CD2-CZ2 4Å; V810-W825 HydrophobicContact CG1-CE3 4.29Å; V810-W825 HydrophobicContact CG1-CH2 4.33Å; V810-W825 HydrophobicContact CG1-CZ3 3.61Å; L817-W825 HydrophobicContact CD1-CH2 3.84Å; L817-W825 HydrophobicContact CD1-CZ3 3.91Å; L817-W825 HydrophobicContact CD2-CH2 3.57Å; L817-W825 HydrophobicContact CD2-CZ2 4.39Å; L817-W825 HydrophobicContact CD2-CZ3 4.31Å; L817-W825 HydrophobicContact CG-CH2 4.3Å; D821-W825 HydrophobicContact CB-CH2 4.29Å; D821-W825 HydrophobicContact CB-CZ2 4.34Å; D821-W825 HydrophobicContact CB-CZ3 4.41Å; D821-W825 PolarHBondContact O-N 2.81Å; L822-W825 HydrophobicContact CD2-CE3 4.1Å; L822-W825 HydrophobicContact CD2-CZ3 3.95Å; L822-W825 PolarHBondContact O-N 3.23Å; W825-M827 VanDerWaalsContact C-N 3.34Å; W825-M827 PolarHBondContact O-N 2.89Å; W825-Q828 PolarHBondContact O-N 3.44Å; W825-Q828 VanDerWaalsContact O-N 3.14Å; W825-I829 VanDerWaalsContact O-CG1 3.26Å; W825-I829 WeakPolarHBondContact O-CG1 3.43Å; W825-I829 PolarHBondContact O-N 3.21Å; W825-P856 PolarHBondContact NE1-O 3.26Å; W825-V859 HydrophobicContact CB-CG2 4.36Å; W825-V859 VanDerWaalsContact CD1-CG1 3.46Å; W825-V859 HydrophobicContact CG-CG1 4.02Å; W825-V859 HydrophobicContact CG-CG2 4.46Å; W825-L915 HydrophobicContact CB-CD1 4.33Å
826	C	97.4	Very high	93.4	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-55.4	-48.2	171.5	-65.6	0	0	0	0	111.5	L822 Q828 I829 A830 Y908 V912 F976	L822-C826 PolarHBondContact O-N 2.99Å; L822-C826 PolarHBondContact O-SG 2.99Å; C826-Q828 PolarHBondContact O-N 2.87Å; C826-I829 PolarHBondContact O-N 3.14Å; C826-A830 WeakPolarHBondContact O-CB 3.48Å; C826-A830 PolarHBondContact O-N 2.84Å; C826-Y908 PolarHBondContact O-OH 2.91Å; C826-V912 HydrophobicContact CB-CG2 4.49Å; C826-F976 HydrophobicContact CB-CD1 3.44Å; C826-F976 VanDerWaalsContact CB-CD1 3.44Å; C826-F976 HydrophobicContact CB-CD2 4.45Å; C826-F976 HydrophobicContact CB-CE1 3.63Å; C826-F976 HydrophobicContact CB-CG 3.9Å; C826-F976 HydrophobicContact CB-CZ 4.23Å
827	M	96.9	Very high	93.8	Very high	26 Å²	26	18.3 Å²	18.3	13%	0.128	9%	0.091	C	C	.	.	H	α-helix	trans	-59.4	-42.3	174.7	175.3	-171.6	55.2	0	0	112.6	L823 N824 W825 A830 K831 F976 S977	L823-M827 WeakPolarHBondContact O-CB 3.43Å; L823-M827 PolarHBondContact O-N 3.28Å; N824-M827 PolarHBondContact O-N 3.23Å; N824-M827 WeakPolarHBondContact OD1-CE 3.1Å; W825-M827 VanDerWaalsContact C-N 3.34Å; W825-M827 PolarHBondContact O-N 2.89Å; M827-A830 PolarHBondContact O-N 3.27Å; M827-K831 HydrophobicContact CG-CD 4.09Å; M827-K831 VanDerWaalsContact O-CG 3.31Å; M827-K831 WeakPolarHBondContact O-CG 3.49Å; M827-K831 PolarHBondContact O-N 3.3Å; M827-K831 PolarHBondContact SD-NZ 3.46Å; M827-F976 HydrophobicContact CB-CB 4.02Å; M827-S977 PolarHBondContact SD-OG 2.92Å; M827-S977 VanDerWaalsContact SD-OG 3.39Å
828	Q	97.3	Very high	93.9	Very high	14 Å²	14	21.6 Å²	21.6	7%	0.065	11%	0.109	C	C	.	.	H	α-helix	trans	-69.7	-41.1	-178.9	-72.8	179.6	37.5	0	0	112.2	Y781 N824 W825 C826 K831 G832 N857 V859	Y781-Q828 HydrophobicContact CD1-CB 3.78Å; Y781-Q828 HydrophobicContact CD1-CG 3.86Å; Y781-Q828 HydrophobicContact CE1-CB 4.04Å; Y781-Q828 HydrophobicContact CE1-CG 3.58Å; N824-Q828 WeakPolarHBondContact O-CB 3.33Å; N824-Q828 VanDerWaalsContact O-CG 3.26Å; N824-Q828 WeakPolarHBondContact O-CG 3.44Å; N824-Q828 PolarHBondContact O-N 3.2Å; W825-Q828 PolarHBondContact O-N 3.44Å; W825-Q828 VanDerWaalsContact O-N 3.14Å; C826-Q828 PolarHBondContact O-N 2.87Å; Q828-K831 PolarHBondContact O-N 3.02Å; Q828-G832 PolarHBondContact O-N 3.06Å; Q828-N857 PolarHBondContact NE2-O 2.94Å; Q828-V859 HydrophobicContact CB-CG2 3.68Å
829	I	97.8	Very high	93.6	Very high	1 Å²	1	23.4 Å²	23.4	1%	0.005	12%	0.117	C	C	.	.	H	α-helix	trans	-63.7	-43.5	173.6	-62.9	162.2	0	0	0	109.7	L806 W825 C826 K831 G832 M833 L846 V851 V859 I861 Y908 T911 L915	L806-I829 HydrophobicContact CD2-CD1 4.03Å; W825-I829 VanDerWaalsContact O-CG1 3.26Å; W825-I829 WeakPolarHBondContact O-CG1 3.43Å; W825-I829 PolarHBondContact O-N 3.21Å; C826-I829 PolarHBondContact O-N 3.14Å; I829-K831 VanDerWaalsContact C-N 3.3Å; I829-K831 PolarHBondContact O-N 2.86Å; I829-G832 PolarHBondContact O-N 3.44Å; I829-M833 HydrophobicContact CG2-CG 4.4Å; I829-M833 WeakPolarHBondContact O-CG 3.33Å; I829-M833 PolarHBondContact O-N 3Å; I829-L846 HydrophobicContact CG2-CD1 4.08Å; I829-L846 HydrophobicContact CG2-CD2 4.48Å; I829-V851 HydrophobicContact CD1-CG1 4.25Å; I829-V851 HydrophobicContact CD1-CG2 4.04Å; I829-V851 HydrophobicContact CG1-CG1 4.13Å; I829-V851 HydrophobicContact CG1-CG2 4.09Å; I829-V859 HydrophobicContact CG1-CG2 4.29Å; I829-I861 HydrophobicContact CG2-CD1 4.13Å; I829-Y908 HydrophobicContact CB-CE2 4.15Å; I829-Y908 HydrophobicContact CG2-CD2 3.81Å; I829-Y908 HydrophobicContact CG2-CE2 3.87Å; I829-T911 HydrophobicContact CD1-CG2 4.2Å; I829-L915 HydrophobicContact CD1-CD1 3.98Å
830	A	97.9	Very high	93.2	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-60.6	-37.7	174.6	0	0	0	0	0	112.3	C826 M827 M833 S834 Y908 L972 V973	C826-A830 WeakPolarHBondContact O-CB 3.48Å; C826-A830 PolarHBondContact O-N 2.84Å; M827-A830 PolarHBondContact O-N 3.27Å; A830-M833 PolarHBondContact O-N 3.37Å; A830-S834 VanDerWaalsContact O-CB 3.29Å; A830-S834 WeakPolarHBondContact O-CB 3.49Å; A830-S834 PolarHBondContact O-N 2.83Å; A830-Y908 HydrophobicContact CB-CE2 3.98Å; A830-L972 HydrophobicContact CB-CB 4.33Å; A830-V973 HydrophobicContact CB-CG2 3.63Å; A830-V973 WeakPolarHBondContact O-CG2 3.34Å
831	K	97.6	Very high	92.8	Very high	63 Å²	63	24.7 Å²	24.7	27%	0.274	12%	0.12	S	C	.	.	H	α-helix	trans	-68.4	-38.7	174.5	-75.1	169.1	176.1	169.9	0	112.5	Y781 M827 Q828 I829 Y835 V973	Y781-K831 HydrophobicContact CD2-CB 3.63Å; Y781-K831 HydrophobicContact CE2-CB 3.83Å; Y781-K831 HydrophobicContact CE2-CD 3.94Å; Y781-K831 HydrophobicContact CE2-CG 4.47Å; Y781-K831 HydrophobicContact CG-CB 4.34Å; M827-K831 HydrophobicContact CG-CD 4.09Å; M827-K831 VanDerWaalsContact O-CG 3.31Å; M827-K831 WeakPolarHBondContact O-CG 3.49Å; M827-K831 PolarHBondContact O-N 3.3Å; M827-K831 PolarHBondContact SD-NZ 3.46Å; Q828-K831 PolarHBondContact O-N 3.02Å; I829-K831 VanDerWaalsContact C-N 3.3Å; I829-K831 PolarHBondContact O-N 2.86Å; K831-Y835 PolarHBondContact O-N 3.2Å; K831-Y835 VanDerWaalsContact O-N 3.17Å; K831-V973 HydrophobicContact CB-CG2 4.41Å; K831-V973 HydrophobicContact CG-CG1 3.87Å; K831-V973 HydrophobicContact CG-CG2 3.78Å
832	G	95	Very high	92.4	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-62.7	-45.9	172.4	0	0	0	0	0	112.1	Q828 I829 Y835 L836	Q828-G832 PolarHBondContact O-N 3.06Å; I829-G832 PolarHBondContact O-N 3.44Å; G832-Y835 WeakPolarHBondContact O-CB 3.31Å; G832-Y835 PolarHBondContact O-N 2.87Å; G832-L836 PolarHBondContact O-N 2.76Å; G832-L836 VanDerWaalsContact O-N 3.15Å
833	M	96.3	Very high	92.1	Very high	1 Å²	1	22.8 Å²	22.8	1%	0.005	11%	0.109	C	C	.	.	H	α-helix	trans	-71.7	-35.2	178.4	-68.4	-52.1	-62.9	0	0	113.7	I829 A830 Y835 L836 E837 H843 L846 I861 D904 F969	I829-M833 HydrophobicContact CG2-CG 4.4Å; I829-M833 WeakPolarHBondContact O-CG 3.33Å; I829-M833 PolarHBondContact O-N 3Å; A830-M833 PolarHBondContact O-N 3.37Å; M833-Y835 VanDerWaalsContact C-N 3.27Å; M833-Y835 PolarHBondContact O-N 2.91Å; M833-L836 HydrophobicContact CE-CD1 4.39Å; M833-L836 CarbonylContact O-C 3.57Å; M833-L836 PolarHBondContact O-N 2.79Å; M833-L836 VanDerWaalsContact O-N 3.11Å; M833-L836 HydrophobicContact SD-CD1 3.85Å; M833-E837 PolarHBondContact O-N 3.43Å; M833-H843 HydrophobicContact CE-CB 3.82Å; M833-H843 HydrophobicContact SD-CB 4.33Å; M833-L846 HydrophobicContact CE-CD2 4.14Å; M833-L846 HydrophobicContact CG-CD1 4.43Å; M833-L846 HydrophobicContact CG-CD2 3.71Å; M833-L846 HydrophobicContact SD-CD1 4.07Å; M833-L846 HydrophobicContact SD-CD2 3.87Å; M833-L846 HydrophobicContact SD-CG 4.46Å; M833-I861 HydrophobicContact CG-CD1 3.69Å; M833-I861 HydrophobicContact SD-CD1 3.61Å; M833-D904 HydrophobicContact CE-CB 3.7Å; M833-F969 HydrophobicContact CB-CB 4.48Å; M833-F969 HydrophobicContact CB-CD1 3.39Å; M833-F969 HydrophobicContact CB-CD2 3.88Å; M833-F969 HydrophobicContact CB-CE1 3.36Å; M833-F969 HydrophobicContact CB-CE2 3.85Å; M833-F969 HydrophobicContact CB-CG 3.65Å; M833-F969 HydrophobicContact CB-CZ 3.59Å; M833-F969 HydrophobicContact CE-CE2 3.99Å; M833-F969 HydrophobicContact CE-CZ 3.88Å; M833-F969 HydrophobicContact CG-CD1 4.29Å; M833-F969 HydrophobicContact CG-CE1 3.79Å; M833-F969 HydrophobicContact CG-CZ 3.91Å
834	S	96.6	Very high	91.8	Very high	14 Å²	14	23.6 Å²	23.6	10%	0.098	11%	0.112	C	C	.	.	H	α-helix	trans	-62.3	-36.4	172.1	-173.4	0	0	0	0	111.6	A830 E837 D838 R970	A830-S834 VanDerWaalsContact O-CB 3.29Å; A830-S834 WeakPolarHBondContact O-CB 3.49Å; A830-S834 PolarHBondContact O-N 2.83Å; S834-E837 PolarHBondContact O-N 3.41Å; S834-D838 WeakPolarHBondContact O-CB 3.23Å; S834-D838 PolarHBondContact O-N 3.44Å; S834-R970 VanDerWaalsContact OG-CG 3.32Å; S834-R970 WeakPolarHBondContact OG-CG 3.38Å
835	Y	93.7	Very high	91.4	Very high	57 Å²	57	22.1 Å²	22.1	22%	0.224	11%	0.105	C	C	.	.	H	α-helix	trans	-64.9	-41.6	171.8	168.8	-99	0	0	0	111.7	V777 G778 V782 K831 G832 M833 D838 V839	V777-Y835 HydrophobicContact CB-CE1 4.05Å; V777-Y835 HydrophobicContact CG1-CE1 4.23Å; G778-Y835 PolarHBondContact N-OH 3.44Å; V782-Y835 HydrophobicContact CG2-CD1 4.14Å; K831-Y835 PolarHBondContact O-N 3.2Å; K831-Y835 VanDerWaalsContact O-N 3.17Å; G832-Y835 WeakPolarHBondContact O-CB 3.31Å; G832-Y835 PolarHBondContact O-N 2.87Å; M833-Y835 VanDerWaalsContact C-N 3.27Å; M833-Y835 PolarHBondContact O-N 2.91Å; Y835-D838 PolarHBondContact O-N 2.85Å; Y835-V839 HydrophobicContact CD1-CG2 4.47Å; Y835-V839 HydrophobicContact CD2-CG1 4.31Å; Y835-V839 HydrophobicContact CE1-CG1 4.42Å; Y835-V839 HydrophobicContact CE1-CG2 4.07Å; Y835-V839 HydrophobicContact CE2-CG1 3.7Å; Y835-V839 WeakPolarHBondContact O-CG2 3.28Å; Y835-V839 PolarHBondContact O-N 3.49Å
836	L	90	Very high	91.3	Very high	1 Å²	1	22.1 Å²	22.1	1%	0.005	10%	0.104	C	C	.	.	H	α-helix	trans	-66.5	-34.9	176	-64.6	177.2	0	0	0	112.5	V777 V782 G832 M833 V839 R840 L841	V777-L836 HydrophobicContact CG1-CD2 4.37Å; V782-L836 HydrophobicContact CG2-CG 4.38Å; G832-L836 PolarHBondContact O-N 2.76Å; G832-L836 VanDerWaalsContact O-N 3.15Å; M833-L836 HydrophobicContact CE-CD1 4.39Å; M833-L836 CarbonylContact O-C 3.57Å; M833-L836 PolarHBondContact O-N 2.79Å; M833-L836 VanDerWaalsContact O-N 3.11Å; M833-L836 HydrophobicContact SD-CD1 3.85Å; L836-V839 HydrophobicContact CD2-CG2 4.39Å; L836-V839 CarbonylContact O-C 3.54Å; L836-V839 PolarHBondContact O-N 2.98Å; L836-R840 PolarHBondContact O-N 2.78Å; L836-R840 VanDerWaalsContact O-N 3.1Å; L836-L841 CarbonylContact C-O 3.25Å; L836-L841 HydrophobicContact CB-CB 4.31Å; L836-L841 HydrophobicContact CD2-CB 4Å; L836-L841 HydrophobicContact CD2-CD1 3.83Å; L836-L841 PolarHBondContact O-N 2.63Å
837	E	89.8	Confident	91.1	Very high	18 Å²	18	22.1 Å²	22.1	8%	0.084	10%	0.104	C	C	.	.	H	α-helix	trans	-59.8	-49.6	167.7	-171.2	-178.5	168.6	0	0	110.6	M833 S834 V839 R840 H901 R968 F969	M833-E837 PolarHBondContact O-N 3.43Å; S834-E837 PolarHBondContact O-N 3.41Å; E837-V839 VanDerWaalsContact C-N 3.3Å; E837-V839 PolarHBondContact O-N 2.87Å; E837-R840 PolarHBondContact O-N 2.84Å; E837-R840 VanDerWaalsContact O-N 3.09Å; E837-H901 HydrophobicContact CG-CB 4.23Å; E837-R968 IonicContact OE1-CZ 2.79Å; E837-R968 IonicContact OE1-NH1 2.68Å; E837-R968 PolarHBondContact OE1-NH1 3.24Å; E837-F969 HydrophobicContact CB-CD2 4.44Å; E837-F969 WeakPolarHBondContact OE2-CB 3.47Å; E837-F969 PolarHBondContact OE2-N 2.81Å; E837-F969 VanDerWaalsContact OE2-N 3.15Å
838	D	87.1	Confident	91	Very high	85 Å²	85	20.9 Å²	20.9	46%	0.455	10%	0.098	S	C	.	.	H	α-helix	trans	-63.6	-29.8	-179.6	-69.8	-26.2	0	0	0	113.4	S834 Y835 R970	S834-D838 WeakPolarHBondContact O-CB 3.23Å; S834-D838 PolarHBondContact O-N 3.44Å; Y835-D838 PolarHBondContact O-N 2.85Å; D838-R970 IonicContact OD1-CZ 2.64Å; D838-R970 VanDerWaalsContact OD1-CZ 3.31Å; D838-R970 IonicContact OD1-NE 3.65Å; D838-R970 PolarHBondContact OD1-NE 3.4Å; D838-R970 VanDerWaalsContact OD1-NE 3.12Å; D838-R970 IonicContact OD1-NH2 2.73Å; D838-R970 PolarHBondContact OD1-NH2 2.85Å; D838-R970 IonicContact OD2-NE 3.66Å; D838-R970 IonicContact OD2-NH2 3.65Å; D838-R970 PolarHBondContact OD2-NH2 2.98Å
839	V	78.9	Confident	90.8	Very high	51 Å²	51	23.1 Å²	23.1	31%	0.309	11%	0.106	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.6	14.6	173.8	-54.6	0	0	0	0	114.6	Y835 L836 E837 L841	Y835-V839 HydrophobicContact CD1-CG2 4.47Å; Y835-V839 HydrophobicContact CD2-CG1 4.31Å; Y835-V839 HydrophobicContact CE1-CG1 4.42Å; Y835-V839 HydrophobicContact CE1-CG2 4.07Å; Y835-V839 HydrophobicContact CE2-CG1 3.7Å; Y835-V839 WeakPolarHBondContact O-CG2 3.28Å; Y835-V839 PolarHBondContact O-N 3.49Å; L836-V839 HydrophobicContact CD2-CG2 4.39Å; L836-V839 CarbonylContact O-C 3.54Å; L836-V839 PolarHBondContact O-N 2.98Å; E837-V839 VanDerWaalsContact C-N 3.3Å; E837-V839 PolarHBondContact O-N 2.87Å; V839-L841 VanDerWaalsContact C-N 3.3Å; V839-L841 HydrophobicContact CG2-CB 4.33Å; V839-L841 HydrophobicContact CG2-CD1 3.7Å; V839-L841 HydrophobicContact CG2-CG 3.9Å; V839-L841 PolarHBondContact O-N 3.1Å
840	R	83.6	Confident	90.5	Very high	91 Å²	91	23.8 Å²	23.8	34%	0.343	11%	0.11	S	C	.	.	T	Hydrogen-bonded Turn	trans	58	31.7	176	-60.5	178.5	171.1	-115.2	10.6	115.4	L836 E837 L869 L870 D871 I872	L836-R840 PolarHBondContact O-N 2.78Å; L836-R840 VanDerWaalsContact O-N 3.1Å; E837-R840 PolarHBondContact O-N 2.84Å; E837-R840 VanDerWaalsContact O-N 3.09Å; R840-L869 HydrophobicContact CB-CD1 4.29Å; R840-L870 PolarHBondContact O-N 3.49Å; R840-D871 PolarHBondContact NH1-O 3.44Å; R840-D871 VanDerWaalsContact NH1-O 3.17Å; R840-I872 VanDerWaalsContact NH1-C 3.33Å; R840-I872 VanDerWaalsContact NH1-CA 3.35Å; R840-I872 PolarHBondContact NH1-O 3.4Å; R840-I872 PolarHBondContact NH2-O 3.3Å; R840-I872 VanDerWaalsContact NH2-O 3.15Å
841	L	80.1	Confident	90.3	Very high	10 Å²	10	23.8 Å²	23.8	5%	0.052	11%	0.11	C	C	.	.	B	Isolated β-bridge	trans	-101.5	123.3	174.5	-67.1	176.4	0	0	0	111.1	V773 V777 L836 V839 L869 H901	V773-L841 HydrophobicContact CG1-CD1 3.69Å; V773-L841 HydrophobicContact CG1-CD2 3.58Å; V773-L841 HydrophobicContact CG1-CG 4.29Å; V773-L841 HydrophobicContact CG2-CD2 4.21Å; V777-L841 HydrophobicContact CG1-CD1 4.23Å; L836-L841 CarbonylContact C-O 3.25Å; L836-L841 HydrophobicContact CB-CB 4.31Å; L836-L841 HydrophobicContact CD2-CB 4Å; L836-L841 HydrophobicContact CD2-CD1 3.83Å; L836-L841 PolarHBondContact O-N 2.63Å; V839-L841 VanDerWaalsContact C-N 3.3Å; V839-L841 HydrophobicContact CG2-CB 4.33Å; V839-L841 HydrophobicContact CG2-CD1 3.7Å; V839-L841 HydrophobicContact CG2-CG 3.9Å; V839-L841 PolarHBondContact O-N 3.1Å; L841-L869 HydrophobicContact CD2-CB 4.38Å; L841-L869 HydrophobicContact CD2-CD1 3.8Å; L841-L869 HydrophobicContact CG-CD1 4.39Å; L841-H901 PolarHBondContact O-CE1 3.41Å; L841-H901 VanDerWaalsContact O-CE1 3.24Å; L841-H901 PolarHBondContact O-ND1 2.88Å
842	V	85.2	Confident	90.1	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	11%	0.105	C	C	.	.			trans	-98.6	121.8	174	-175.4	0	0	0	0	108.9	R844 A867 L870 F899 T900 D904	V842-R844 HydrophobicContact CB-CG 4.4Å; V842-R844 HydrophobicContact CG1-CG 3.79Å; V842-A867 WeakPolarHBondContact O-CA 3.35Å; V842-A867 WeakPolarHBondContact O-CB 3.49Å; V842-L870 HydrophobicContact CG2-CD1 3.6Å; V842-L870 HydrophobicContact CG2-CD2 4.47Å; V842-L870 HydrophobicContact CG2-CG 3.86Å; V842-F899 HydrophobicContact CG1-CB 4.23Å; V842-T900 WeakPolarHBondContact CG1-O 3.46Å; V842-D904 WeakPolarHBondContact CA-OD2 3.35Å; V842-D904 VanDerWaalsContact CG1-OD2 3.31Å; V842-D904 WeakPolarHBondContact CG1-OD2 3.46Å
843	H	88	Confident	90	Very high	1 Å²	1	22.3 Å²	22.3	1%	0.005	11%	0.105	C	C	.	.			trans	-75.9	-39.1	-171.5	-176	-17.3	0	0	0	113.5	M833 D845 I861 T862 F864 D904	M833-H843 HydrophobicContact CE-CB 3.82Å; M833-H843 HydrophobicContact SD-CB 4.33Å; H843-D845 PolarHBondContact CE1-O 3.31Å; H843-D845 PolarHBondContact O-N 2.91Å; H843-I861 VanDerWaalsContact CD2-CG2 3.43Å; H843-I861 WeakPolarHBondContact CD2-CG2 3.45Å; H843-I861 WeakPolarHBondContact NE2-CG2 3.39Å; H843-T862 PolarHBondContact CE1-O 2.81Å; H843-T862 PolarHBondContact NE2-O 2.88Å; H843-F864 HydrophobicContact CB-CB 4.45Å; H843-F864 WeakPolarHBondContact ND1-CA 3.33Å; H843-D904 PolarHBondContact N-OD1 2.78Å; H843-D904 PolarHBondContact N-OD2 3.03Å
844	R	87.1	Confident	89.6	Confident	17 Å²	17	24.8 Å²	24.8	6%	0.064	12%	0.116	C	C	.	.	S	Bend	trans	65.2	-13.4	175.5	-46.9	-177.9	-170.9	158	-9.2	117.5	V842 L866 Y877 F899 D904	V842-R844 HydrophobicContact CB-CG 4.4Å; V842-R844 HydrophobicContact CG1-CG 3.79Å; R844-L866 HydrophobicContact CB-CB 4.42Å; R844-L866 WeakPolarHBondContact CD-O 3.25Å; R844-L866 PolarHBondContact NH1-O 2.94Å; R844-Y877 VanDerWaalsContact NH1-CE1 3.28Å; R844-F899 HydrophobicContact CB-CD1 3.81Å; R844-F899 HydrophobicContact CB-CE1 4.01Å; R844-F899 HydrophobicContact CG-CB 4.09Å; R844-F899 HydrophobicContact CG-CD1 3.6Å; R844-F899 HydrophobicContact CG-CE1 4.26Å; R844-F899 HydrophobicContact CG-CG 3.98Å; R844-D904 PolarHBondContact N-OD1 2.78Å
845	D	87.3	Confident	89.1	Confident	14 Å²	14	26.2 Å²	26.2	8%	0.075	13%	0.125	C	C	.	.			trans	-138.1	41.1	177.7	-167	25.3	0	0	0	111.4	H843 A847 R849 N850 L866 P885	H843-D845 PolarHBondContact CE1-O 3.31Å; H843-D845 PolarHBondContact O-N 2.91Å; D845-A847 PolarHBondContact O-N 2.84Å; D845-R849 IonicContact OD1-CZ 2.72Å; D845-R849 IonicContact OD1-NE 2.71Å; D845-R849 IonicContact OD1-NH2 3.21Å; D845-R849 PolarHBondContact OD1-NH2 3.13Å; D845-N850 PolarHBondContact O-ND2 3.48Å; D845-N850 PolarHBondContact OD2-ND2 3.07Å; D845-L866 HydrophobicContact CB-CD1 4.42Å; D845-P885 HydrophobicContact CB-CG 4.39Å; D845-P885 WeakPolarHBondContact OD1-CB 3.49Å; D845-P885 VanDerWaalsContact OD1-CG 3.29Å; D845-P885 WeakPolarHBondContact OD1-CG 3.44Å
846	L	93.9	Very high	88.6	Confident	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.125	C	C	.	.			trans	-71.8	119.1	174.5	-179.9	66.4	0	0	0	110.1	I829 M833 I861 S907 Y908 T911	I829-L846 HydrophobicContact CG2-CD1 4.08Å; I829-L846 HydrophobicContact CG2-CD2 4.48Å; M833-L846 HydrophobicContact CE-CD2 4.14Å; M833-L846 HydrophobicContact CG-CD1 4.43Å; M833-L846 HydrophobicContact CG-CD2 3.71Å; M833-L846 HydrophobicContact SD-CD1 4.07Å; M833-L846 HydrophobicContact SD-CD2 3.87Å; M833-L846 HydrophobicContact SD-CG 4.46Å; L846-I861 HydrophobicContact CD1-CD1 4.45Å; L846-I861 HydrophobicContact CD1-CG2 4.4Å; L846-S907 WeakPolarHBondContact O-CB 3.42Å; L846-Y908 HydrophobicContact CD2-CD2 4.26Å; L846-T911 PolarHBondContact O-OG1 2.85Å
847	A	93.9	Very high	88.4	Confident	0 Å²	0	31 Å²	31	0%	0	16%	0.157	C	C	.	.	S	Bend	trans	-158.7	161.8	-179.6	0	0	0	0	0	109.6	D845 R849 N850 W888 T911	D845-A847 PolarHBondContact O-N 2.84Å; A847-R849 HydrophobicContact CB-CG 3.66Å; A847-R849 VanDerWaalsContact CB-CZ 3.4Å; A847-R849 PolarHBondContact O-N 3.14Å; A847-R849 VanDerWaalsContact O-N 3.1Å; A847-N850 PolarHBondContact O-N 3.1Å; A847-W888 HydrophobicContact CB-CD2 4.4Å; A847-W888 HydrophobicContact CB-CG 4.18Å; A847-T911 WeakPolarHBondContact CA-OG1 3.46Å
848	A	94.9	Very high	88.5	Confident	0 Å²	0	32.4 Å²	32.4	0%	0	16%	0.163	C	C	.	.	G	3₁₀ helix	trans	-61.8	-22.6	-179.8	0	0	0	0	0	113.8	L807 N850 T911 E914	L807-A848 HydrophobicContact CB-CB 3.85Å; L807-A848 HydrophobicContact CD1-CB 4.19Å; L807-A848 PolarHBondContact N-O 3Å; A848-N850 VanDerWaalsContact C-N 3.33Å; A848-T911 HydrophobicContact CB-CG2 4.46Å; A848-E914 HydrophobicContact CB-CB 3.87Å; A848-E914 HydrophobicContact CB-CG 4.44Å; A848-E914 PolarHBondContact N-OE2 2.99Å
849	R	91.3	Very high	88.9	Confident	61 Å²	61	28.5 Å²	28.5	23%	0.23	14%	0.142	C	C	.	.	G	3₁₀ helix	trans	-66.3	-30.2	170.3	53.1	159.3	179.2	-71.7	-6.1	113.8	C805 L807 D845 A847 V851 W888	C805-R849 WeakPolarHBondContact CB-O 3.15Å; L807-R849 HydrophobicContact CD2-CB 4.18Å; D845-R849 IonicContact OD1-CZ 2.72Å; D845-R849 IonicContact OD1-NE 2.71Å; D845-R849 IonicContact OD1-NH2 3.21Å; D845-R849 PolarHBondContact OD1-NH2 3.13Å; A847-R849 HydrophobicContact CB-CG 3.66Å; A847-R849 VanDerWaalsContact CB-CZ 3.4Å; A847-R849 PolarHBondContact O-N 3.14Å; A847-R849 VanDerWaalsContact O-N 3.1Å; R849-V851 VanDerWaalsContact C-N 3.32Å; R849-W888 VanDerWaalsContact NH1-CE2 3.31Å
850	N	92.1	Very high	89.6	Confident	15 Å²	15	26.3 Å²	26.3	8%	0.08	13%	0.129	C	C	.	.	G	3₁₀ helix	trans	-102.1	25.3	-174.4	-67.3	-0.6	0	0	0	110.8	D845 A847 A848 T862	D845-N850 PolarHBondContact O-ND2 3.48Å; D845-N850 PolarHBondContact OD2-ND2 3.07Å; A847-N850 PolarHBondContact O-N 3.1Å; A848-N850 VanDerWaalsContact C-N 3.33Å; N850-T862 HydrophobicContact CB-CG2 4.46Å; N850-T862 WeakPolarHBondContact O-CG2 3.44Å; N850-T862 PolarHBondContact O-N 3.47Å
851	V	94.4	Very high	90.1	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	129.1	168.3	-179.5	0	0	0	0	107	C805 L806 I829 R849 V859 K860 I861	C805-V851 CarbonylContact C-O 3.5Å; C805-V851 WeakPolarHBondContact CA-O 3.4Å; L806-V851 HydrophobicContact CB-CB 4.03Å; L806-V851 HydrophobicContact CB-CG1 4.08Å; L806-V851 WeakPolarHBondContact CB-O 3.02Å; L806-V851 HydrophobicContact CD2-CB 4.18Å; L806-V851 HydrophobicContact CD2-CG1 3.74Å; L806-V851 PolarHBondContact N-O 3.34Å; I829-V851 HydrophobicContact CD1-CG1 4.25Å; I829-V851 HydrophobicContact CD1-CG2 4.04Å; I829-V851 HydrophobicContact CG1-CG1 4.13Å; I829-V851 HydrophobicContact CG1-CG2 4.09Å; R849-V851 VanDerWaalsContact C-N 3.32Å; V851-V859 HydrophobicContact CG1-CB 3.75Å; V851-V859 HydrophobicContact CG1-CG1 4.41Å; V851-V859 HydrophobicContact CG1-CG2 4.13Å; V851-K860 CarbonylContact C-O 3.45Å; V851-K860 WeakPolarHBondContact CA-O 3.33Å; V851-I861 HydrophobicContact CG2-CG1 4.48Å
852	L	92.8	Very high	90.4	Very high	33 Å²	33	21.9 Å²	21.9	17%	0.173	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	150.2	-179.2	-57.4	177.6	0	0	0	111.1	M801 G804 C805 V859 K860 T862	M801-L852 HydrophobicContact CB-CB 3.8Å; M801-L852 HydrophobicContact CB-CD1 4.17Å; M801-L852 HydrophobicContact CG-CB 3.63Å; M801-L852 HydrophobicContact CG-CD1 3.63Å; M801-L852 HydrophobicContact CG-CG 4.26Å; G804-L852 WeakPolarHBondContact O-CA 3.29Å; C805-L852 HydrophobicContact CB-CD2 4.14Å; L852-V859 CarbonylContact O-C 3.58Å; L852-V859 VanDerWaalsContact O-CA 3.27Å; L852-V859 WeakPolarHBondContact O-CA 3.47Å; L852-K860 PolarHBondContact N-O 3.11Å; L852-K860 PolarHBondContact O-N 3.01Å; L852-T862 HydrophobicContact CD1-CG2 3.86Å; L852-T862 HydrophobicContact CD2-CG2 3.99Å; L852-T862 HydrophobicContact CG-CG2 3.56Å
853	V	92.4	Very high	90	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	109.7	-177.1	-175.7	0	0	0	0	109.5	Y803 G804 L806 H809 S855 V859	Y803-V853 HydrophobicContact CD2-CG1 4.4Å; Y803-V853 HydrophobicContact CG-CG1 4.18Å; Y803-V853 PolarHBondContact N-O 3.25Å; G804-V853 PolarHBondContact O-N 2.9Å; L806-V853 HydrophobicContact CB-CG2 4.03Å; L806-V853 HydrophobicContact CD1-CG2 3.81Å; H809-V853 HydrophobicContact CB-CG2 3.99Å; V853-S855 VanDerWaalsContact CG1-O 3.27Å; V853-S855 WeakPolarHBondContact CG1-O 3.4Å; V853-V859 HydrophobicContact CG2-CG1 4.16Å
854	K	87.8	Confident	89	Confident	53 Å²	53	24.3 Å²	24.3	23%	0.23	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	-42.7	174	-171.1	-176.3	-178.4	-174.6	0	110.4	Q799 M801 Y803 H858 D1019 E1021	Q799-K854 VanDerWaalsContact NE2-CE 3.3Å; M801-K854 HydrophobicContact SD-CB 3.93Å; M801-K854 HydrophobicContact SD-CG 4.2Å; Y803-K854 WeakPolarHBondContact CD2-O 3.02Å; K854-H858 PolarHBondContact N-O 3.17Å; K854-D1019 IonicContact NZ-OD1 2.64Å; K854-D1019 PolarHBondContact NZ-OD1 3.35Å; K854-D1019 IonicContact NZ-OD2 2.72Å; K854-E1021 IonicContact NZ-OE2 3.28Å; K854-E1021 PolarHBondContact NZ-OE2 2.9Å
855	S	86.5	Confident	87.4	Confident	43 Å²	43	24.2 Å²	24.2	30%	0.301	13%	0.13	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	166.8	168.7	72.2	0	0	0	0	108.6	V853 N857 H858	V853-S855 VanDerWaalsContact CG1-O 3.27Å; V853-S855 WeakPolarHBondContact CG1-O 3.4Å; S855-N857 PolarHBondContact O-N 3.46Å; S855-H858 PolarHBondContact N-O 3.38Å; S855-H858 CarbonylContact O-C 3.48Å; S855-H858 PolarHBondContact O-N 2.03Å
856	P	83.8	Confident	85.7	Confident	35 Å²	35	26.4 Å²	26.4	23%	0.227	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51	-33.4	177.6	-29.1	36.6	0	0	0	113.4	Y803 W825	Y803-P856 HydrophobicContact CE1-CG 4.49Å; W825-P856 PolarHBondContact NE1-O 3.26Å
857	N	86.1	Confident	83.7	Confident	125 Å²	125	26.8 Å²	26.8	67%	0.668	14%	0.144	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.1	-2.7	-179.6	-62.1	5.1	0	0	0	114.1	Q828 S855	Q828-N857 PolarHBondContact NE2-O 2.94Å; S855-N857 PolarHBondContact O-N 3.46Å
858	H	91	Very high	81.9	Confident	47 Å²	47	31.3 Å²	31.3	22%	0.218	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	117.1	-171.3	-163.7	110.9	0	0	0	113.5	P780 K854 S855	P780-H858 PolarHBondContact O-CE1 2.94Å; P780-H858 PolarHBondContact O-NE2 3.49Å; K854-H858 PolarHBondContact N-O 3.17Å; S855-H858 PolarHBondContact N-O 3.38Å; S855-H858 CarbonylContact O-C 3.48Å; S855-H858 PolarHBondContact O-N 2.03Å
859	V	95.4	Very high	79.5	Confident	2 Å²	2	33.8 Å²	33.8	1%	0.012	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	153.7	176.8	-62.3	0	0	0	0	112.8	L806 W825 Q828 I829 V851 L852 V853	L806-V859 HydrophobicContact CD1-CG1 4.25Å; L806-V859 HydrophobicContact CD2-CG1 4.24Å; W825-V859 HydrophobicContact CB-CG2 4.36Å; W825-V859 VanDerWaalsContact CD1-CG1 3.46Å; W825-V859 HydrophobicContact CG-CG1 4.02Å; W825-V859 HydrophobicContact CG-CG2 4.46Å; Q828-V859 HydrophobicContact CB-CG2 3.68Å; I829-V859 HydrophobicContact CG1-CG2 4.29Å; V851-V859 HydrophobicContact CG1-CB 3.75Å; V851-V859 HydrophobicContact CG1-CG1 4.41Å; V851-V859 HydrophobicContact CG1-CG2 4.13Å; L852-V859 CarbonylContact O-C 3.58Å; L852-V859 VanDerWaalsContact O-CA 3.27Å; L852-V859 WeakPolarHBondContact O-CA 3.47Å; V853-V859 HydrophobicContact CG2-CG1 4.16Å
860	K	94.1	Very high	76.9	Confident	5 Å²	5	31.1 Å²	31.1	2%	0.022	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	133.8	177.8	-64.6	-170.9	-176.6	179.6	0	111.9	P780 Y781 M801 V851 L852 E1021	P780-K860 VanDerWaalsContact O-CE 3.31Å; P780-K860 WeakPolarHBondContact O-CE 2.99Å; P780-K860 WeakPolarHBondContact O-CG 3.35Å; Y781-K860 CarbonylContact O-C 3.56Å; Y781-K860 WeakPolarHBondContact O-CA 3.33Å; M801-K860 HydrophobicContact CE-CD 3.74Å; M801-K860 HydrophobicContact SD-CD 4.43Å; V851-K860 CarbonylContact C-O 3.45Å; V851-K860 WeakPolarHBondContact CA-O 3.33Å; L852-K860 PolarHBondContact N-O 3.11Å; L852-K860 PolarHBondContact O-N 3.01Å; K860-E1021 IonicContact NZ-OE1 3.21Å; K860-E1021 PolarHBondContact NZ-OE1 2.77Å; K860-E1021 IonicContact NZ-OE2 3.57Å; K860-E1021 PolarHBondContact NZ-OE2 2.79Å
861	I	93.5	Very high	74.5	Confident	1 Å²	1	35 Å²	35	1%	0.005	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71	135.7	174.9	-57.8	178.9	0	0	0	109.8	Y781 S783 I829 M833 H843 L846 V851	Y781-I861 PolarHBondContact O-N 2.72Å; S783-I861 VanDerWaalsContact CB-O 3.24Å; S783-I861 WeakPolarHBondContact CB-O 3.01Å; S783-I861 PolarHBondContact N-O 2.86Å; I829-I861 HydrophobicContact CG2-CD1 4.13Å; M833-I861 HydrophobicContact CG-CD1 3.69Å; M833-I861 HydrophobicContact SD-CD1 3.61Å; H843-I861 VanDerWaalsContact CD2-CG2 3.43Å; H843-I861 WeakPolarHBondContact CD2-CG2 3.45Å; H843-I861 WeakPolarHBondContact NE2-CG2 3.39Å; L846-I861 HydrophobicContact CD1-CD1 4.45Å; L846-I861 HydrophobicContact CD1-CG2 4.4Å; V851-I861 HydrophobicContact CG2-CG1 4.48Å
862	T	87.8	Confident	72	Confident	7 Å²	7	38.6 Å²	38.6	4%	0.043	20%	0.204	C	C	.	.			trans	-130.5	174.7	-179.3	-170.2	0	0	0	0	111	H843 N850 L852 F864	H843-T862 PolarHBondContact CE1-O 2.81Å; H843-T862 PolarHBondContact NE2-O 2.88Å; N850-T862 HydrophobicContact CB-CG2 4.46Å; N850-T862 WeakPolarHBondContact O-CG2 3.44Å; N850-T862 PolarHBondContact O-N 3.47Å; L852-T862 HydrophobicContact CD1-CG2 3.86Å; L852-T862 HydrophobicContact CD2-CG2 3.99Å; L852-T862 HydrophobicContact CG-CG2 3.56Å; T862-F864 PolarHBondContact O-N 3.2Å
863	D	76.5	Confident	69.6	Low	49 Å²	49	41.7 Å²	41.7	26%	0.262	22%	0.221	S	C	.	.			trans	54.3	30.7	168.4	-68.3	-78.3	0	0	0	114.9	K753 G865	K753-D863 IonicContact NZ-OD1 2.79Å; K753-D863 PolarHBondContact NZ-OD1 2.75Å; D863-G865 PolarHBondContact O-N 3.12Å
864	F	66.6	Low	67.4	Low	3 Å²	3	46.6 Å²	46.6	1%	0.013	24%	0.243	C	C	.	.	G	3₁₀ helix	trans	-68.4	28.9	159.9	57.6	-85.9	0	0	0	112.5	V773 M774 V777 V782 S783 H843 T862 L866 A867	V773-F864 HydrophobicContact CG1-CD2 4.3Å; V773-F864 HydrophobicContact CG1-CE2 4.13Å; M774-F864 HydrophobicContact CB-CE2 4.19Å; M774-F864 HydrophobicContact CB-CZ 4.2Å; M774-F864 HydrophobicContact CE-CZ 4.44Å; M774-F864 HydrophobicContact CG-CD2 4.3Å; M774-F864 HydrophobicContact CG-CE2 3.64Å; M774-F864 HydrophobicContact CG-CZ 3.89Å; V777-F864 HydrophobicContact CG1-CE2 4.07Å; V777-F864 HydrophobicContact CG1-CZ 4.01Å; V777-F864 HydrophobicContact CG2-CZ 4.01Å; V782-F864 HydrophobicContact CG1-CD1 4.2Å; V782-F864 HydrophobicContact CG1-CE1 3.52Å; V782-F864 HydrophobicContact CG1-CZ 3.92Å; S783-F864 WeakPolarHBondContact O-CE1 3.37Å; H843-F864 HydrophobicContact CB-CB 4.45Å; H843-F864 WeakPolarHBondContact ND1-CA 3.33Å; T862-F864 PolarHBondContact O-N 3.2Å; F864-L866 PolarHBondContact O-N 3.46Å; F864-A867 HydrophobicContact CB-CB 4.42Å; F864-A867 WeakPolarHBondContact O-CB 3.41Å; F864-A867 PolarHBondContact O-N 3.03Å
865	G	52.6	Low	65.7	Low	16 Å²	16	48.7 Å²	48.7	17%	0.165	26%	0.261	C	S	.	.	G	3₁₀ helix	trans	-70.4	-15.3	-179.3	0	0	0	0	0	114.3	E770 D863 A867	E770-G865 VanDerWaalsContact CD-CA 3.47Å; E770-G865 WeakPolarHBondContact OE1-CA 3.47Å; D863-G865 PolarHBondContact O-N 3.12Å; G865-A867 VanDerWaalsContact C-N 3.29Å
866	L	51.7	Low	64	Low	59 Å²	59	49.4 Å²	49.4	31%	0.309	26%	0.259	S	S	.	.	G	3₁₀ helix	trans	-84.5	-1.9	168.3	-65	179.6	0	0	0	112.8	F731 R844 D845 F864	F731-L866 HydrophobicContact CE1-CD2 4.3Å; F731-L866 HydrophobicContact CZ-CD2 4.22Å; F731-L866 HydrophobicContact CZ-CG 4.42Å; R844-L866 HydrophobicContact CB-CB 4.42Å; R844-L866 WeakPolarHBondContact CD-O 3.25Å; R844-L866 PolarHBondContact NH1-O 2.94Å; D845-L866 HydrophobicContact CB-CD1 4.42Å; F864-L866 PolarHBondContact O-N 3.46Å
867	A	52.7	Low	61.9	Low	9 Å²	9	49.4 Å²	49.4	7%	0.074	26%	0.255	C	S	.	.			trans	-67.1	145.8	178.3	0	0	0	0	0	111.8	V842 F864 G865	V842-A867 WeakPolarHBondContact O-CA 3.35Å; V842-A867 WeakPolarHBondContact O-CB 3.49Å; F864-A867 HydrophobicContact CB-CB 4.42Å; F864-A867 WeakPolarHBondContact O-CB 3.41Å; F864-A867 PolarHBondContact O-N 3.03Å; G865-A867 VanDerWaalsContact C-N 3.29Å
868	R	55.9	Low	60.2	Low	95 Å²	95	48.9 Å²	48.9	36%	0.358	25%	0.248	S	C	.	.			trans	-129.2	151.1	155.7	-64.2	-175.7	177.9	-177.5	-7.1	107.4	E766 Y877	E766-R868 VanDerWaalsContact CD-NH2 3.33Å; E766-R868 IonicContact OE1-CZ 3.89Å; E766-R868 IonicContact OE1-NH2 3.26Å; E766-R868 PolarHBondContact OE1-NH2 2.72Å; R868-Y877 PolarHBondContact NH1-OH 3.5Å; R868-Y877 VanDerWaalsContact NH1-OH 3.1Å
869	L	45.1	Very low	58.3	Low	51 Å²	51	47.9 Å²	47.9	27%	0.267	25%	0.248	S	C	.	.	B	Isolated β-bridge	trans	-59	136.1	169.1	-162.8	64.8	0	0	0	108.7	A705 R840 L841	A705-L869 HydrophobicContact CB-CD2 3.85Å; R840-L869 HydrophobicContact CB-CD1 4.29Å; L841-L869 HydrophobicContact CD2-CB 4.38Å; L841-L869 HydrophobicContact CD2-CD1 3.8Å; L841-L869 HydrophobicContact CG-CD1 4.39Å
870	L	37.2	Very low	55.9	Low	6 Å²	6	53.5 Å²	53.5	3%	0.031	28%	0.278	C	S	.	.	P	Polyproline II helix	trans	-83.2	130.2	165.4	-72.3	176.5	0	0	0	108.9	R840 V842	R840-L870 PolarHBondContact O-N 3.49Å; V842-L870 HydrophobicContact CG2-CD1 3.6Å; V842-L870 HydrophobicContact CG2-CD2 4.47Å; V842-L870 HydrophobicContact CG2-CG 3.86Å
871	D	40	Very low	53.4	Low	95 Å²	95	57 Å²	57	51%	0.508	32%	0.316	S	S	.	.	P	Polyproline II helix	trans	-62.3	162.3	174.7	-95.6	-49.2	0	0	0	111.8	R840 D873 E874	R840-D871 PolarHBondContact NH1-O 3.44Å; R840-D871 VanDerWaalsContact NH1-O 3.17Å; D871-D873 PolarHBondContact O-N 3.43Å; D871-E874 HydrophobicContact CB-CB 4.29Å; D871-E874 HydrophobicContact CB-CG 4.14Å; D871-E874 PolarHBondContact O-N 3.08Å; D871-E874 VanDerWaalsContact O-N 3.13Å
872	I	42.3	Very low	51.3	Low	77 Å²	77	59.4 Å²	59.4	40%	0.395	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-33.2	-167.1	-64.1	-178.3	0	0	0	112.3	A705 R840	A705-I872 HydrophobicContact CB-CD1 4.48Å; A705-I872 HydrophobicContact CB-CG1 4.05Å; R840-I872 VanDerWaalsContact NH1-C 3.33Å; R840-I872 VanDerWaalsContact NH1-CA 3.35Å; R840-I872 PolarHBondContact NH1-O 3.4Å; R840-I872 PolarHBondContact NH2-O 3.3Å; R840-I872 VanDerWaalsContact NH2-O 3.15Å
873	D	41.9	Very low	49.7	Very low	98 Å²	98	65.9 Å²	65.9	52%	0.524	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106	-4.5	-178.5	-63.4	-40.5	0	0	0	114.6	N176 D871	N176-D873 PolarHBondContact ND2-OD1 3.26Å; D871-D873 PolarHBondContact O-N 3.43Å
874	E	46.5	Very low	49.3	Very low	102 Å²	102	64.9 Å²	64.9	48%	0.477	36%	0.364	S	S	.	.			trans	-92.1	114.7	179.2	-68.1	-157.4	149.5	0	0	111.6	D871 E876	D871-E874 HydrophobicContact CB-CB 4.29Å; D871-E874 HydrophobicContact CB-CG 4.14Å; D871-E874 PolarHBondContact O-N 3.08Å; D871-E874 VanDerWaalsContact O-N 3.13Å; E874-E876 VanDerWaalsContact C-N 3.34Å
875	T	52	Low	50.1	Low	97 Å²	97	65 Å²	65	60%	0.595	37%	0.365	S	S	*	.	S	Bend	trans	-88.3	-4.4	172.5	56.9	0	0	0	0	113.1	T900	T875-T900 VanDerWaalsContact O-CG2 3.28Å; T875-T900 WeakPolarHBondContact O-CG2 3.32Å
876	E	51.1	Low	51.7	Low	58 Å²	58	66.5 Å²	66.5	27%	0.271	37%	0.369	S	S	.	.			trans	-146.1	142.9	-178.4	64.1	-174.1	119.2	0	0	112.8	E874 H878 R898 T900	E874-E876 VanDerWaalsContact C-N 3.34Å; E876-H878 IonicContact OE2-CE1 2.7Å; E876-H878 IonicContact OE2-NE2 3.03Å; E876-R898 HydrophobicContact CB-CG 3.99Å; E876-R898 IonicContact OE1-CZ 4Å; E876-R898 IonicContact OE1-NH1 2.68Å; E876-R898 PolarHBondContact OE1-NH1 3.47Å; E876-R898 WeakPolarHBondContact OE2-CD 3.5Å; E876-R898 IonicContact OE2-CZ 2.77Å; E876-R898 VanDerWaalsContact OE2-CZ 3.28Å; E876-R898 IonicContact OE2-NE 3.27Å; E876-R898 PolarHBondContact OE2-NE 2.98Å; E876-R898 IonicContact OE2-NH1 3.82Å; E876-R898 PolarHBondContact OE2-NH1 3.31Å; E876-T900 HydrophobicContact CB-CG2 4.1Å
877	Y	40.8	Very low	53.6	Low	35 Å²	35	64.6 Å²	64.6	14%	0.137	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	136	170.2	170.3	-94.9	0	0	0	110.7	R844 R868 A879 R897 R898 F899	R844-Y877 VanDerWaalsContact NH1-CE1 3.28Å; R868-Y877 PolarHBondContact NH1-OH 3.5Å; R868-Y877 VanDerWaalsContact NH1-OH 3.1Å; Y877-A879 HydrophobicContact CD1-CB 4.39Å; Y877-A879 VanDerWaalsContact CE1-CA 3.44Å; Y877-A879 HydrophobicContact CE1-CB 3.72Å; Y877-R897 VanDerWaalsContact O-O 3.11Å; Y877-R898 WeakPolarHBondContact O-CA 3.44Å; Y877-F899 HydrophobicContact CD1-CB 4.44Å; Y877-F899 HydrophobicContact CD1-CD2 4.3Å; Y877-F899 PolarHBondContact N-O 3.43Å; Y877-F899 PolarHBondContact O-N 3.42Å
878	H	50.3	Low	55.6	Low	114 Å²	114	66 Å²	66	53%	0.528	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	124.1	169.7	-67.1	-72.4	0	0	0	111	E876 R896 R897	E876-H878 IonicContact OE2-CE1 2.7Å; E876-H878 IonicContact OE2-NE2 3.03Å; H878-R896 PolarHBondContact ND1-O 2.92Å; H878-R897 WeakPolarHBondContact CA-O 3.2Å
879	A	50.6	Low	57.3	Low	26 Å²	26	61.8 Å²	61.8	22%	0.215	35%	0.346	C	S	.	.	P	Polyproline II helix	trans	-85.3	121	-179.9	0	0	0	0	0	113.5	Y877 R897 F899	Y877-A879 HydrophobicContact CD1-CB 4.39Å; Y877-A879 VanDerWaalsContact CE1-CA 3.44Å; Y877-A879 HydrophobicContact CE1-CB 3.72Å; A879-R897 HydrophobicContact CB-CB 4.42Å; A879-R897 PolarHBondContact N-O 3.28Å; A879-F899 HydrophobicContact CB-CD2 4Å; A879-F899 HydrophobicContact CB-CE2 3.59Å
880	D	45.5	Very low	59.6	Low	121 Å²	121	59.4 Å²	59.4	65%	0.647	33%	0.333	S	S	*	.	P	Polyproline II helix	trans	-52	147.3	151.8	-80.3	-21.3	0	0	0	110.1
881	G	42	Very low	62.3	Low	78 Å²	78	59.7 Å²	59.7	80%	0.804	34%	0.335	S	S	*	.	S	Bend	trans	-62.2	139.8	-162.9	0	0	0	0	0	116
882	G	47.8	Very low	64.7	Low	52 Å²	52	56.1 Å²	56.1	54%	0.536	32%	0.315	S	S	.	.			trans	-164.3	175.9	175.8	0	0	0	0	0	113.2
883	K	55.4	Low	67	Low	143 Å²	143	52.5 Å²	52.5	62%	0.622	30%	0.297	S	S	*	.			trans	-69.6	128.8	172.2	-74	-176.5	177.4	-178.9	0	109.6	Y1248	K883-Y1248 HydrophobicContact CB-CD1 3.74Å; K883-Y1248 HydrophobicContact CB-CE1 3.83Å; K883-Y1248 HydrophobicContact CD-CD1 4.17Å; K883-Y1248 HydrophobicContact CD-CG 4.41Å; K883-Y1248 HydrophobicContact CG-CD1 4.03Å
884	V	68.5	Low	69.1	Low	27 Å²	27	49.1 Å²	49.1	16%	0.164	28%	0.279	C	S	.	.			trans	-135.3	149.4	-173	-65.5	0	0	0	0	113.6	I886 M889 Y1248	V884-I886 HydrophobicContact CG2-CG1 4.08Å; V884-I886 PolarHBondContact O-N 3.42Å; V884-I886 VanDerWaalsContact O-N 3.08Å; V884-M889 HydrophobicContact CB-CE 4.24Å; V884-M889 HydrophobicContact CB-SD 3.61Å; V884-M889 HydrophobicContact CG2-CE 4.26Å; V884-M889 HydrophobicContact CG2-SD 3.74Å; V884-Y1248 WeakPolarHBondContact O-CE1 3.49Å
885	P	82.6	Confident	71	Confident	6 Å²	6	48.4 Å²	48.4	4%	0.039	28%	0.278	C	S	.	.			trans	-87.4	62.2	-169.7	37.8	-40.5	0	0	0	113.1	D845 K887 W888 M889	D845-P885 HydrophobicContact CB-CG 4.39Å; D845-P885 WeakPolarHBondContact OD1-CB 3.49Å; D845-P885 VanDerWaalsContact OD1-CG 3.29Å; D845-P885 WeakPolarHBondContact OD1-CG 3.44Å; P885-K887 VanDerWaalsContact C-N 3.27Å; P885-K887 PolarHBondContact O-N 3.32Å; P885-W888 HydrophobicContact CB-CE3 4.25Å; P885-W888 PolarHBondContact O-N 2.95Å; P885-M889 HydrophobicContact CG-CG 4.03Å; P885-M889 HydrophobicContact CG-SD 4.4Å
886	I	86.4	Confident	72.5	Confident	48 Å²	48	52.3 Å²	52.3	25%	0.246	28%	0.281	C	S	.	.	G	3₁₀ helix	trans	-44.1	-43.1	-164.8	-59.4	176.5	0	0	0	115	V884 W888 M889 I894 A928 I931	V884-I886 HydrophobicContact CG2-CG1 4.08Å; V884-I886 PolarHBondContact O-N 3.42Å; V884-I886 VanDerWaalsContact O-N 3.08Å; I886-W888 PolarHBondContact O-N 2.76Å; I886-W888 VanDerWaalsContact O-N 3.15Å; I886-M889 HydrophobicContact CG1-SD 4.38Å; I886-M889 PolarHBondContact O-N 3.08Å; I886-M889 VanDerWaalsContact O-N 3.08Å; I886-I894 HydrophobicContact CG2-CD1 3.94Å; I886-I894 HydrophobicContact CG2-CG1 4.22Å; I886-A928 HydrophobicContact CB-CB 4.3Å; I886-A928 HydrophobicContact CD1-CB 4.24Å; I886-A928 WeakPolarHBondContact CG2-O 3.35Å; I886-I931 HydrophobicContact CG2-CB 4.12Å; I886-I931 HydrophobicContact CG2-CG1 4.45Å; I886-I931 HydrophobicContact CG2-CG2 4.33Å
887	K	91.5	Very high	74	Confident	18 Å²	18	54 Å²	54	8%	0.078	29%	0.285	C	S	.	.	G	3₁₀ helix	trans	-64.5	-13.9	-179.2	-78.6	169.5	163.7	170.9	0	115.5	P885 P922 Y923 I926 I931 E1247	P885-K887 VanDerWaalsContact C-N 3.27Å; P885-K887 PolarHBondContact O-N 3.32Å; K887-P922 WeakPolarHBondContact CD-O 3.34Å; K887-Y923 HydrophobicContact CB-CD2 4.48Å; K887-Y923 VanDerWaalsContact CE-O 3.3Å; K887-Y923 WeakPolarHBondContact CE-O 3.09Å; K887-Y923 HydrophobicContact CG-CD2 4.43Å; K887-Y923 PolarHBondContact NZ-O 2.82Å; K887-I926 WeakPolarHBondContact CE-O 3.47Å; K887-I926 PolarHBondContact NZ-O 3.1Å; K887-I931 HydrophobicContact CG-CD1 4.1Å; K887-I931 HydrophobicContact CG-CG1 4.09Å; K887-E1247 WeakPolarHBondContact CE-OE2 3.03Å; K887-E1247 IonicContact NZ-OE1 2.87Å; K887-E1247 PolarHBondContact NZ-OE1 3.41Å; K887-E1247 IonicContact NZ-OE2 3.46Å; K887-E1247 PolarHBondContact NZ-OE2 3Å
888	W	93.9	Very high	76	Confident	40 Å²	40	55 Å²	55	15%	0.152	29%	0.289	C	S	.	.	G	3₁₀ helix	trans	-104.4	-15	173.4	-70	-102.8	0	0	0	113.2	A847 R849 P885 I886 W906 S907 V910 E914 P922	A847-W888 HydrophobicContact CB-CD2 4.4Å; A847-W888 HydrophobicContact CB-CG 4.18Å; R849-W888 VanDerWaalsContact NH1-CE2 3.31Å; P885-W888 HydrophobicContact CB-CE3 4.25Å; P885-W888 PolarHBondContact O-N 2.95Å; I886-W888 PolarHBondContact O-N 2.76Å; I886-W888 VanDerWaalsContact O-N 3.15Å; W888-W906 VanDerWaalsContact O-CD1 3.32Å; W888-S907 WeakPolarHBondContact O-CA 3.38Å; W888-S907 PolarHBondContact O-OG 3.34Å; W888-V910 VanDerWaalsContact CD1-CG1 3.47Å; W888-V910 HydrophobicContact CG-CG1 4.01Å; W888-E914 WeakPolarHBondContact CZ2-OE1 3.43Å; W888-E914 VanDerWaalsContact NE1-CD 3.25Å; W888-E914 PolarHBondContact NE1-OE2 3.08Å; W888-P922 HydrophobicContact CZ2-CG 3.87Å
889	M	91.8	Very high	77.6	Confident	5 Å²	5	50 Å²	50	3%	0.025	27%	0.265	C	S	.	.	S	Bend	trans	-79.7	148.2	-169.7	-67.7	172.1	64.4	0	0	113.3	V884 P885 I886 S893 I894 F899 W906	V884-M889 HydrophobicContact CB-CE 4.24Å; V884-M889 HydrophobicContact CB-SD 3.61Å; V884-M889 HydrophobicContact CG2-CE 4.26Å; V884-M889 HydrophobicContact CG2-SD 3.74Å; P885-M889 HydrophobicContact CG-CG 4.03Å; P885-M889 HydrophobicContact CG-SD 4.4Å; I886-M889 HydrophobicContact CG1-SD 4.38Å; I886-M889 PolarHBondContact O-N 3.08Å; I886-M889 VanDerWaalsContact O-N 3.08Å; M889-S893 VanDerWaalsContact CE-C 3.48Å; M889-S893 VanDerWaalsContact CE-O 3.32Å; M889-S893 WeakPolarHBondContact CE-O 3.47Å; M889-I894 HydrophobicContact CB-CD1 4.11Å; M889-I894 HydrophobicContact CB-CG1 3.68Å; M889-I894 HydrophobicContact CE-CG1 4.17Å; M889-I894 HydrophobicContact SD-CG1 4.42Å; M889-F899 HydrophobicContact CE-CE1 4Å; M889-F899 HydrophobicContact CE-CZ 3.77Å; M889-W906 PolarHBondContact O-NE1 3.12Å
890	A	94.3	Very high	79.5	Confident	1 Å²	1	49.2 Å²	49.2	1%	0.008	26%	0.258	C	S	.	.			trans	-67.8	151.3	167.6	0	0	0	0	0	112.1	E892 S893 I894 W906	A890-E892 VanDerWaalsContact C-N 3.31Å; A890-E892 VanDerWaalsContact CB-OE1 3.28Å; A890-E892 WeakPolarHBondContact CB-OE1 3.47Å; A890-E892 WeakPolarHBondContact CB-OE2 3.33Å; A890-E892 PolarHBondContact O-N 3.1Å; A890-S893 WeakPolarHBondContact O-CA 3.3Å; A890-S893 WeakPolarHBondContact O-CB 3.46Å; A890-S893 PolarHBondContact O-N 2.84Å; A890-I894 WeakPolarHBondContact O-CG1 3.43Å; A890-I894 PolarHBondContact O-N 2.92Å; A890-W906 HydrophobicContact CB-CB 3.73Å; A890-W906 HydrophobicContact CB-CD2 3.93Å; A890-W906 HydrophobicContact CB-CE3 4.18Å; A890-W906 HydrophobicContact CB-CG 3.73Å
891	L	92.8	Very high	81.7	Confident	13 Å²	13	44.8 Å²	44.8	7%	0.068	23%	0.233	C	C	.	.	H	α-helix	trans	-59.7	-38.7	-175.5	-176.4	63.2	0	0	0	112.7	S893 I894 L895 P932 L935 E936 I961	L891-S893 VanDerWaalsContact C-N 3.29Å; L891-S893 PolarHBondContact O-N 3.04Å; L891-I894 PolarHBondContact O-N 2.94Å; L891-L895 HydrophobicContact CD1-CD1 3.73Å; L891-L895 HydrophobicContact CD1-CG 3.87Å; L891-L895 HydrophobicContact CD2-CD1 4.32Å; L891-L895 HydrophobicContact CG-CD1 3.76Å; L891-L895 HydrophobicContact CG-CG 4.23Å; L891-L895 WeakPolarHBondContact O-CB 3.36Å; L891-L895 WeakPolarHBondContact O-CG 3.41Å; L891-L895 PolarHBondContact O-N 3.43Å; L891-P932 HydrophobicContact CD1-CB 4.11Å; L891-L935 HydrophobicContact CD1-CB 4.12Å; L891-L935 HydrophobicContact CD1-CD1 4.49Å; L891-E936 HydrophobicContact CD1-CG 4.24Å; L891-E936 HydrophobicContact CD2-CG 3.76Å; L891-I961 HydrophobicContact CD2-CD1 3.73Å
892	E	91	Very high	84.2	Confident	20 Å²	20	42.7 Å²	42.7	9%	0.093	20%	0.203	C	C	.	.	H	α-helix	trans	-66.6	-29.9	175.5	72.3	-76.1	-178.1	0	0	113.1	A890 R896 R897 R898 R966	A890-E892 VanDerWaalsContact C-N 3.31Å; A890-E892 VanDerWaalsContact CB-OE1 3.28Å; A890-E892 WeakPolarHBondContact CB-OE1 3.47Å; A890-E892 WeakPolarHBondContact CB-OE2 3.33Å; A890-E892 PolarHBondContact O-N 3.1Å; E892-R896 WeakPolarHBondContact O-CA 3.48Å; E892-R896 WeakPolarHBondContact O-CB 3.31Å; E892-R896 PolarHBondContact O-N 3.04Å; E892-R897 PolarHBondContact O-N 3.04Å; E892-R898 HydrophobicContact CB-CB 4.48Å; E892-R898 HydrophobicContact CG-CB 4.3Å; E892-R898 HydrophobicContact CG-CG 4.24Å; E892-R898 PolarHBondContact O-N 3.41Å; E892-R966 IonicContact OE1-CZ 3.17Å; E892-R966 IonicContact OE1-NH1 3.85Å; E892-R966 PolarHBondContact OE1-NH1 3.48Å; E892-R966 IonicContact OE1-NH2 2.8Å; E892-R966 PolarHBondContact OE1-NH2 3.24Å; E892-R966 IonicContact OE2-CZ 3.72Å; E892-R966 IonicContact OE2-NH1 3.31Å; E892-R966 IonicContact OE2-NH2 2.93Å; E892-R966 PolarHBondContact OE2-NH2 2.83Å
893	S	89.7	Confident	86.4	Confident	1 Å²	1	40.4 Å²	40.4	1%	0.007	18%	0.178	C	C	.	.	H	α-helix	trans	-75	-33	174.7	-48.5	0	0	0	0	112	M889 A890 L891 R897 R898 S903	M889-S893 VanDerWaalsContact CE-C 3.48Å; M889-S893 VanDerWaalsContact CE-O 3.32Å; M889-S893 WeakPolarHBondContact CE-O 3.47Å; A890-S893 WeakPolarHBondContact O-CA 3.3Å; A890-S893 WeakPolarHBondContact O-CB 3.46Å; A890-S893 PolarHBondContact O-N 2.84Å; L891-S893 VanDerWaalsContact C-N 3.29Å; L891-S893 PolarHBondContact O-N 3.04Å; S893-R897 WeakPolarHBondContact O-CA 3.38Å; S893-R897 PolarHBondContact O-N 3.4Å; S893-R898 VanDerWaalsContact CA-O 3.25Å; S893-R898 WeakPolarHBondContact CA-O 3.48Å; S893-R898 WeakPolarHBondContact CB-O 3.42Å; S893-R898 PolarHBondContact OG-O 3.2Å; S893-S903 WeakPolarHBondContact OG-CB 3.41Å
894	I	87.8	Confident	88.3	Confident	27 Å²	27	33.6 Å²	33.6	14%	0.138	15%	0.149	C	C	.	.	H	α-helix	trans	-70.2	-54	173.9	-62.3	167.1	0	0	0	110	I886 M889 A890 L891 I931 P932 L935	I886-I894 HydrophobicContact CG2-CD1 3.94Å; I886-I894 HydrophobicContact CG2-CG1 4.22Å; M889-I894 HydrophobicContact CB-CD1 4.11Å; M889-I894 HydrophobicContact CB-CG1 3.68Å; M889-I894 HydrophobicContact CE-CG1 4.17Å; M889-I894 HydrophobicContact SD-CG1 4.42Å; A890-I894 WeakPolarHBondContact O-CG1 3.43Å; A890-I894 PolarHBondContact O-N 2.92Å; L891-I894 PolarHBondContact O-N 2.94Å; I894-I931 HydrophobicContact CD1-CG2 4.35Å; I894-P932 HydrophobicContact CG2-CB 4.06Å; I894-P932 HydrophobicContact CG2-CG 4.2Å; I894-L935 HydrophobicContact CD1-CD1 4.08Å
895	L	85.5	Confident	89.7	Confident	87 Å²	87	32.3 Å²	32.3	46%	0.455	14%	0.141	S	C	.	.	H	α-helix	trans	-79.2	-38.5	-171.2	-64.1	178.6	0	0	0	114.3	L891 P932 E936	L891-L895 HydrophobicContact CD1-CD1 3.73Å; L891-L895 HydrophobicContact CD1-CG 3.87Å; L891-L895 HydrophobicContact CD2-CD1 4.32Å; L891-L895 HydrophobicContact CG-CD1 3.76Å; L891-L895 HydrophobicContact CG-CG 4.23Å; L891-L895 WeakPolarHBondContact O-CB 3.36Å; L891-L895 WeakPolarHBondContact O-CG 3.41Å; L891-L895 PolarHBondContact O-N 3.43Å; L895-P932 HydrophobicContact CD2-CB 4.04Å; L895-E936 WeakPolarHBondContact CD1-OE1 3.35Å
896	R	83.7	Confident	90.4	Very high	179 Å²	179	32 Å²	32	68%	0.675	14%	0.139	S	C	*	.	H	α-helix	trans	-118.1	3	-170.1	-53.4	-177.7	-173	164.7	4.8	113.6	H878 E892 R898	H878-R896 PolarHBondContact ND1-O 2.92Å; E892-R896 WeakPolarHBondContact O-CA 3.48Å; E892-R896 WeakPolarHBondContact O-CB 3.31Å; E892-R896 PolarHBondContact O-N 3.04Å; R896-R898 HydrophobicContact CB-CB 4.35Å; R896-R898 PolarHBondContact O-N 3.41Å; R896-R898 VanDerWaalsContact O-N 3.08Å
897	R	81.6	Confident	90.9	Very high	93 Å²	93	30 Å²	30	35%	0.351	13%	0.129	S	C	.	.			trans	52.1	25.9	-172	-57.1	-60.7	-179.3	146.7	-2.3	113.4	Y877 H878 A879 E892 S893 F899	Y877-R897 VanDerWaalsContact O-O 3.11Å; H878-R897 WeakPolarHBondContact CA-O 3.2Å; A879-R897 HydrophobicContact CB-CB 4.42Å; A879-R897 PolarHBondContact N-O 3.28Å; E892-R897 PolarHBondContact O-N 3.04Å; S893-R897 WeakPolarHBondContact O-CA 3.38Å; S893-R897 PolarHBondContact O-N 3.4Å; R897-F899 WeakPolarHBondContact O-CD2 3.35Å; R897-F899 WeakPolarHBondContact O-CE2 3.5Å
898	R	82.4	Confident	91.2	Very high	56 Å²	56	29.2 Å²	29.2	21%	0.211	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	116.2	179.1	174	173.9	177	130.8	-2.9	109.6	E876 Y877 E892 S893 R896 T900	E876-R898 HydrophobicContact CB-CG 3.99Å; E876-R898 IonicContact OE1-CZ 4Å; E876-R898 IonicContact OE1-NH1 2.68Å; E876-R898 PolarHBondContact OE1-NH1 3.47Å; E876-R898 WeakPolarHBondContact OE2-CD 3.5Å; E876-R898 IonicContact OE2-CZ 2.77Å; E876-R898 VanDerWaalsContact OE2-CZ 3.28Å; E876-R898 IonicContact OE2-NE 3.27Å; E876-R898 PolarHBondContact OE2-NE 2.98Å; E876-R898 IonicContact OE2-NH1 3.82Å; E876-R898 PolarHBondContact OE2-NH1 3.31Å; Y877-R898 WeakPolarHBondContact O-CA 3.44Å; E892-R898 HydrophobicContact CB-CB 4.48Å; E892-R898 HydrophobicContact CG-CB 4.3Å; E892-R898 HydrophobicContact CG-CG 4.24Å; E892-R898 PolarHBondContact O-N 3.41Å; S893-R898 VanDerWaalsContact CA-O 3.25Å; S893-R898 WeakPolarHBondContact CA-O 3.48Å; S893-R898 WeakPolarHBondContact CB-O 3.42Å; S893-R898 PolarHBondContact OG-O 3.2Å; R896-R898 HydrophobicContact CB-CB 4.35Å; R896-R898 PolarHBondContact O-N 3.41Å; R896-R898 VanDerWaalsContact O-N 3.08Å; R898-T900 HydrophobicContact CG-CG2 4Å
899	F	84.4	Confident	91.4	Very high	9 Å²	9	27.4 Å²	27.4	4%	0.039	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	131.5	175.8	-65.2	-88.3	0	0	0	110.4	V842 R844 Y877 A879 M889 R897	V842-F899 HydrophobicContact CG1-CB 4.23Å; R844-F899 HydrophobicContact CB-CD1 3.81Å; R844-F899 HydrophobicContact CB-CE1 4.01Å; R844-F899 HydrophobicContact CG-CB 4.09Å; R844-F899 HydrophobicContact CG-CD1 3.6Å; R844-F899 HydrophobicContact CG-CE1 4.26Å; R844-F899 HydrophobicContact CG-CG 3.98Å; Y877-F899 HydrophobicContact CD1-CB 4.44Å; Y877-F899 HydrophobicContact CD1-CD2 4.3Å; Y877-F899 PolarHBondContact N-O 3.43Å; Y877-F899 PolarHBondContact O-N 3.42Å; A879-F899 HydrophobicContact CB-CD2 4Å; A879-F899 HydrophobicContact CB-CE2 3.59Å; M889-F899 HydrophobicContact CE-CE1 4Å; M889-F899 HydrophobicContact CE-CZ 3.77Å; R897-F899 WeakPolarHBondContact O-CD2 3.35Å; R897-F899 WeakPolarHBondContact O-CE2 3.5Å
900	T	89.9	Confident	91.7	Very high	9 Å²	9	27.1 Å²	27.1	6%	0.055	12%	0.118	C	C	.	.			trans	-149.6	166.5	-175.5	70.9	0	0	0	0	109.9	V842 T875 E876 R898 Q902 S903 D904	V842-T900 WeakPolarHBondContact CG1-O 3.46Å; T875-T900 VanDerWaalsContact O-CG2 3.28Å; T875-T900 WeakPolarHBondContact O-CG2 3.32Å; E876-T900 HydrophobicContact CB-CG2 4.1Å; R898-T900 HydrophobicContact CG-CG2 4Å; T900-Q902 PolarHBondContact O-N 2.69Å; T900-Q902 PolarHBondContact OG1-N 2.73Å; T900-Q902 VanDerWaalsContact OG1-N 3.16Å; T900-S903 PolarHBondContact N-OG 3.07Å; T900-S903 PolarHBondContact O-N 3.15Å; T900-S903 PolarHBondContact O-OG 3.29Å; T900-S903 PolarHBondContact OG1-N 3.46Å; T900-D904 PolarHBondContact O-N 3.48Å; T900-D904 VanDerWaalsContact O-N 3.16Å
901	H	92.3	Very high	91.9	Very high	29 Å²	29	27.1 Å²	27.1	13%	0.134	12%	0.118	C	C	.	.	H	α-helix	trans	-57.9	-32.3	169.3	-56.2	-63.9	0	0	0	112.2	E837 L841 S903 D904 V905	E837-H901 HydrophobicContact CG-CB 4.23Å; L841-H901 PolarHBondContact O-CE1 3.41Å; L841-H901 VanDerWaalsContact O-CE1 3.24Å; L841-H901 PolarHBondContact O-ND1 2.88Å; H901-S903 VanDerWaalsContact C-N 3.3Å; H901-S903 PolarHBondContact O-N 3.33Å; H901-D904 WeakPolarHBondContact O-CB 3.35Å; H901-D904 PolarHBondContact O-N 3.25Å; H901-D904 VanDerWaalsContact O-N 3.11Å; H901-V905 WeakPolarHBondContact O-CG2 3.49Å; H901-V905 PolarHBondContact O-N 2.84Å
902	Q	95.4	Very high	92.1	Very high	34 Å²	34	26.6 Å²	26.6	16%	0.159	12%	0.115	C	C	.	.	H	α-helix	trans	-70.1	-22.9	175.3	-57.1	-60.1	92	0	0	113.3	T900 W906 S963 R966	T900-Q902 PolarHBondContact O-N 2.69Å; T900-Q902 PolarHBondContact OG1-N 2.73Å; T900-Q902 VanDerWaalsContact OG1-N 3.16Å; Q902-W906 PolarHBondContact O-N 2.9Å; Q902-S963 WeakPolarHBondContact CG-O 3.2Å; Q902-S963 PolarHBondContact NE2-O 3.1Å; Q902-R966 PolarHBondContact NE2-O 2.8Å; Q902-R966 WeakPolarHBondContact O-CD 3.41Å; Q902-R966 PolarHBondContact O-NH1 3.48Å
903	S	93.6	Very high	92.4	Very high	3 Å²	3	26.6 Å²	26.6	2%	0.021	11%	0.114	C	C	.	.	H	α-helix	trans	-78.6	-29.9	168.8	63.8	0	0	0	0	112.3	S893 T900 H901 V905 W906 S907	S893-S903 WeakPolarHBondContact OG-CB 3.41Å; T900-S903 PolarHBondContact N-OG 3.07Å; T900-S903 PolarHBondContact O-N 3.15Å; T900-S903 PolarHBondContact O-OG 3.29Å; T900-S903 PolarHBondContact OG1-N 3.46Å; H901-S903 VanDerWaalsContact C-N 3.3Å; H901-S903 PolarHBondContact O-N 3.33Å; S903-V905 VanDerWaalsContact C-N 3.35Å; S903-W906 WeakPolarHBondContact O-CB 3.46Å; S903-W906 PolarHBondContact O-N 2.89Å; S903-S907 PolarHBondContact O-N 3.48Å; S903-S907 PolarHBondContact O-OG 3.35Å; S903-S907 VanDerWaalsContact O-OG 3.13Å
904	D	95.4	Very high	92.8	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-69.3	-33.2	169.7	-74.6	-22.8	0	0	0	111.7	M833 V842 H843 R844 T900 H901 W906 S907 Y908 F969	M833-D904 HydrophobicContact CE-CB 3.7Å; V842-D904 WeakPolarHBondContact CA-OD2 3.35Å; V842-D904 VanDerWaalsContact CG1-OD2 3.31Å; V842-D904 WeakPolarHBondContact CG1-OD2 3.46Å; H843-D904 PolarHBondContact N-OD1 2.78Å; H843-D904 PolarHBondContact N-OD2 3.03Å; R844-D904 PolarHBondContact N-OD1 2.78Å; T900-D904 PolarHBondContact O-N 3.48Å; T900-D904 VanDerWaalsContact O-N 3.16Å; H901-D904 WeakPolarHBondContact O-CB 3.35Å; H901-D904 PolarHBondContact O-N 3.25Å; H901-D904 VanDerWaalsContact O-N 3.11Å; D904-W906 VanDerWaalsContact C-N 3.29Å; D904-W906 PolarHBondContact O-N 3.38Å; D904-S907 CarbonylContact O-C 3.59Å; D904-S907 WeakPolarHBondContact O-CB 3.38Å; D904-S907 PolarHBondContact O-N 3.06Å; D904-Y908 WeakPolarHBondContact O-CB 3.43Å; D904-Y908 PolarHBondContact O-N 3.46Å; D904-F969 HydrophobicContact CB-CE2 3.97Å; D904-F969 HydrophobicContact CB-CZ 3.98Å
905	V	97.9	Very high	93.2	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-59.9	-37.9	173	166.9	0	0	0	0	111.7	H901 S903 Y908 G909 C958 R966 P967 F969 L972	H901-V905 WeakPolarHBondContact O-CG2 3.49Å; H901-V905 PolarHBondContact O-N 2.84Å; S903-V905 VanDerWaalsContact C-N 3.35Å; V905-Y908 WeakPolarHBondContact O-CB 3.35Å; V905-Y908 PolarHBondContact O-N 2.97Å; V905-G909 PolarHBondContact O-N 3.05Å; V905-C958 HydrophobicContact CG1-CB 4.07Å; V905-C958 WeakPolarHBondContact O-CB 3.39Å; V905-R966 HydrophobicContact CG1-CB 4.02Å; V905-P967 HydrophobicContact CG1-CG 4.4Å; V905-P967 WeakPolarHBondContact CG1-O 3.38Å; V905-P967 WeakPolarHBondContact CG2-O 3.35Å; V905-F969 HydrophobicContact CB-CZ 4.39Å; V905-F969 HydrophobicContact CG2-CD1 4.49Å; V905-F969 HydrophobicContact CG2-CD2 3.97Å; V905-F969 HydrophobicContact CG2-CE1 4.17Å; V905-F969 HydrophobicContact CG2-CE2 3.61Å; V905-F969 HydrophobicContact CG2-CG 4.4Å; V905-F969 HydrophobicContact CG2-CZ 3.72Å; V905-L972 HydrophobicContact CG1-CD1 4.23Å; V905-L972 HydrophobicContact CG2-CD1 4.43Å
906	W	97.6	Very high	93.6	Very high	1 Å²	1	21.3 Å²	21.3	0%	0.004	9%	0.087	C	C	.	.	H	α-helix	trans	-63.8	-48.3	173.4	-179.8	-67.9	0	0	0	111.2	W888 M889 A890 Q902 S903 D904 Y908 G909 V910 L935 C958 W959	W888-W906 VanDerWaalsContact O-CD1 3.32Å; M889-W906 PolarHBondContact O-NE1 3.12Å; A890-W906 HydrophobicContact CB-CB 3.73Å; A890-W906 HydrophobicContact CB-CD2 3.93Å; A890-W906 HydrophobicContact CB-CE3 4.18Å; A890-W906 HydrophobicContact CB-CG 3.73Å; Q902-W906 PolarHBondContact O-N 2.9Å; S903-W906 WeakPolarHBondContact O-CB 3.46Å; S903-W906 PolarHBondContact O-N 2.89Å; D904-W906 VanDerWaalsContact C-N 3.29Å; D904-W906 PolarHBondContact O-N 3.38Å; W906-Y908 VanDerWaalsContact C-N 3.26Å; W906-Y908 PolarHBondContact O-N 2.87Å; W906-G909 WeakPolarHBondContact O-CA 3.49Å; W906-G909 PolarHBondContact O-N 2.98Å; W906-V910 PolarHBondContact O-N 2.81Å; W906-L935 HydrophobicContact CH2-CD1 4.2Å; W906-L935 HydrophobicContact CH2-CD2 4.01Å; W906-L935 HydrophobicContact CZ2-CD1 3.63Å; W906-L935 HydrophobicContact CZ2-CD2 3.61Å; W906-L935 HydrophobicContact CZ2-CG 4.18Å; W906-C958 WeakPolarHBondContact CA-O 3.31Å; W906-W959 HydrophobicContact CD2-CB 4.43Å; W906-W959 AromaticContact CD2-CD1 3.77Å; W906-W959 HydrophobicContact CD2-CG 4.47Å; W906-W959 AromaticContact CE2-CD1 3.88Å; W906-W959 HydrophobicContact CE3-CB 4.19Å; W906-W959 AromaticContact CG-CD1 3.86Å; W906-W959 HydrophobicContact CH2-CB 4.26Å; W906-W959 HydrophobicContact CZ2-CB 4.49Å; W906-W959 HydrophobicContact CZ3-CB 4.11Å; W906-W959 VanDerWaalsContact CZ3-O 3.31Å; W906-W959 WeakPolarHBondContact CZ3-O 3.47Å; W906-W959 PolarHBondContact O-NE1 3.18Å
907	S	96.8	Very high	94.1	Very high	6 Å²	6	14.2 Å²	14.2	4%	0.042	6%	0.063	C	C	.	.	H	α-helix	trans	-59.6	-35.6	175.6	-51.3	0	0	0	0	112.1	L846 W888 S903 D904 V910 T911	L846-S907 WeakPolarHBondContact O-CB 3.42Å; W888-S907 WeakPolarHBondContact O-CA 3.38Å; W888-S907 PolarHBondContact O-OG 3.34Å; S903-S907 PolarHBondContact O-N 3.48Å; S903-S907 PolarHBondContact O-OG 3.35Å; S903-S907 VanDerWaalsContact O-OG 3.13Å; D904-S907 CarbonylContact O-C 3.59Å; D904-S907 WeakPolarHBondContact O-CB 3.38Å; D904-S907 PolarHBondContact O-N 3.06Å; S907-V910 PolarHBondContact O-N 3.43Å; S907-T911 WeakPolarHBondContact O-CB 3.41Å; S907-T911 PolarHBondContact O-N 2.86Å; S907-T911 PolarHBondContact O-OG1 2.94Å
908	Y	98.1	Very high	94.7	Very high	1 Å²	1	10.8 Å²	10.8	0%	0.004	5%	0.051	C	C	.	.	H	α-helix	trans	-64.1	-44.9	171.4	175.1	-92.5	0	0	0	111.4	C826 I829 A830 L846 D904 V905 W906 V910 T911 V912 F969 L972 F976	C826-Y908 PolarHBondContact O-OH 2.91Å; I829-Y908 HydrophobicContact CB-CE2 4.15Å; I829-Y908 HydrophobicContact CG2-CD2 3.81Å; I829-Y908 HydrophobicContact CG2-CE2 3.87Å; A830-Y908 HydrophobicContact CB-CE2 3.98Å; L846-Y908 HydrophobicContact CD2-CD2 4.26Å; D904-Y908 WeakPolarHBondContact O-CB 3.43Å; D904-Y908 PolarHBondContact O-N 3.46Å; V905-Y908 WeakPolarHBondContact O-CB 3.35Å; V905-Y908 PolarHBondContact O-N 2.97Å; W906-Y908 VanDerWaalsContact C-N 3.26Å; W906-Y908 PolarHBondContact O-N 2.87Å; Y908-V910 VanDerWaalsContact C-N 3.28Å; Y908-V910 PolarHBondContact O-N 3.03Å; Y908-T911 CarbonylContact O-C 3.52Å; Y908-T911 WeakPolarHBondContact O-CA 3.4Å; Y908-T911 WeakPolarHBondContact O-CB 3.42Å; Y908-T911 PolarHBondContact O-N 2.88Å; Y908-V912 HydrophobicContact CD1-CG2 4.01Å; Y908-V912 HydrophobicContact CE1-CG2 3.47Å; Y908-V912 VanDerWaalsContact CE1-CG2 3.47Å; Y908-V912 HydrophobicContact CE2-CG2 4.07Å; Y908-V912 HydrophobicContact CG-CG2 4.5Å; Y908-V912 VanDerWaalsContact CZ-CG2 3.5Å; Y908-V912 WeakPolarHBondContact O-CG2 3.43Å; Y908-V912 PolarHBondContact O-N 3.31Å; Y908-F969 HydrophobicContact CD1-CE1 4.49Å; Y908-F969 HydrophobicContact CD2-CE1 4.04Å; Y908-F969 AromaticContact CG-CE1 3.83Å; Y908-F969 HydrophobicContact CG-CE1 3.83Å; Y908-L972 HydrophobicContact CD1-CD1 3.74Å; Y908-L972 HydrophobicContact CE1-CB 4.41Å; Y908-L972 HydrophobicContact CE1-CD1 3.89Å; Y908-L972 HydrophobicContact CE1-CD2 4.15Å; Y908-L972 HydrophobicContact CE1-CG 4.39Å; Y908-F976 HydrophobicContact CE1-CD2 4.42Å; Y908-F976 AromaticContact CE1-CE2 3.84Å; Y908-F976 HydrophobicContact CE1-CE2 3.84Å; Y908-F976 AromaticContact CZ-CE2 3.95Å; Y908-F976 WeakPolarHBondContact OH-CD2 3.5Å; Y908-F976 WeakPolarHBondContact OH-CE2 3.32Å
909	G	97.8	Very high	95.1	Very high	1 Å²	1	8.4 Å²	8.4	1%	0.01	4%	0.044	C	C	.	.	H	α-helix	trans	-54.9	-43.6	173.2	0	0	0	0	0	112.4	V905 W906 V912 W913 W959	V905-G909 PolarHBondContact O-N 3.05Å; W906-G909 WeakPolarHBondContact O-CA 3.49Å; W906-G909 PolarHBondContact O-N 2.98Å; G909-V912 PolarHBondContact O-N 2.84Å; G909-W913 PolarHBondContact O-N 3.35Å; G909-W913 VanDerWaalsContact O-N 3.1Å; G909-W959 VanDerWaalsContact C-CZ2 3.48Å; G909-W959 WeakPolarHBondContact O-CZ2 3.4Å
910	V	97.8	Very high	95.5	Very high	0 Å²	0	9.9 Å²	9.9	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-65.7	-39.5	174	-177.4	0	0	0	0	111.6	W888 W906 S907 Y908 W913 E914 P922 L941 W959	W888-V910 VanDerWaalsContact CD1-CG1 3.47Å; W888-V910 HydrophobicContact CG-CG1 4.01Å; W906-V910 PolarHBondContact O-N 2.81Å; S907-V910 PolarHBondContact O-N 3.43Å; Y908-V910 VanDerWaalsContact C-N 3.28Å; Y908-V910 PolarHBondContact O-N 3.03Å; V910-W913 CarbonylContact O-C 3.58Å; V910-W913 WeakPolarHBondContact O-CA 3.49Å; V910-W913 WeakPolarHBondContact O-CB 3.24Å; V910-W913 PolarHBondContact O-N 3.02Å; V910-W913 VanDerWaalsContact O-N 3.15Å; V910-E914 PolarHBondContact O-N 3.37Å; V910-P922 HydrophobicContact CG1-CB 3.79Å; V910-P922 HydrophobicContact CG1-CG 3.47Å; V910-P922 VanDerWaalsContact CG1-CG 3.47Å; V910-L941 HydrophobicContact CG1-CD1 4.1Å; V910-L941 HydrophobicContact CG2-CD1 4.21Å; V910-W959 HydrophobicContact CG2-CZ2 4.34Å
911	T	97.5	Very high	95.6	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-63.3	-41.8	176.7	-56.8	0	0	0	0	112.1	I829 L846 A847 A848 S907 Y908 W913 E914 L915	I829-T911 HydrophobicContact CD1-CG2 4.2Å; L846-T911 PolarHBondContact O-OG1 2.85Å; A847-T911 WeakPolarHBondContact CA-OG1 3.46Å; A848-T911 HydrophobicContact CB-CG2 4.46Å; S907-T911 WeakPolarHBondContact O-CB 3.41Å; S907-T911 PolarHBondContact O-N 2.86Å; S907-T911 PolarHBondContact O-OG1 2.94Å; Y908-T911 CarbonylContact O-C 3.52Å; Y908-T911 WeakPolarHBondContact O-CA 3.4Å; Y908-T911 WeakPolarHBondContact O-CB 3.42Å; Y908-T911 PolarHBondContact O-N 2.88Å; T911-W913 VanDerWaalsContact C-N 3.29Å; T911-W913 PolarHBondContact O-N 3.33Å; T911-E914 WeakPolarHBondContact O-CB 3.44Å; T911-E914 PolarHBondContact O-N 2.84Å; T911-L915 WeakPolarHBondContact O-CG 3.47Å; T911-L915 PolarHBondContact O-N 3.41Å
912	V	97.8	Very high	95.6	Very high	3 Å²	3	11.9 Å²	11.9	2%	0.018	7%	0.065	C	C	.	.	H	α-helix	trans	-63.2	-38.6	173.5	179.6	0	0	0	0	110.3	C826 Y908 G909 L915 M916 M955 F976	C826-V912 HydrophobicContact CB-CG2 4.49Å; Y908-V912 HydrophobicContact CD1-CG2 4.01Å; Y908-V912 HydrophobicContact CE1-CG2 3.47Å; Y908-V912 VanDerWaalsContact CE1-CG2 3.47Å; Y908-V912 HydrophobicContact CE2-CG2 4.07Å; Y908-V912 HydrophobicContact CG-CG2 4.5Å; Y908-V912 VanDerWaalsContact CZ-CG2 3.5Å; Y908-V912 WeakPolarHBondContact O-CG2 3.43Å; Y908-V912 PolarHBondContact O-N 3.31Å; G909-V912 PolarHBondContact O-N 2.84Å; V912-L915 PolarHBondContact O-N 3.32Å; V912-M916 HydrophobicContact CG1-CE 4.4Å; V912-M916 HydrophobicContact CG1-CG 4.15Å; V912-M916 WeakPolarHBondContact O-CB 3.44Å; V912-M916 WeakPolarHBondContact O-CG 3.48Å; V912-M916 PolarHBondContact O-N 3.41Å; V912-M955 HydrophobicContact CB-CE 4.42Å; V912-M955 HydrophobicContact CG1-CE 3.65Å; V912-M955 HydrophobicContact CG1-CG 4.43Å; V912-F976 HydrophobicContact CG1-CE1 4.34Å; V912-F976 HydrophobicContact CG1-CZ 3.96Å; V912-F976 HydrophobicContact CG2-CE2 4.49Å; V912-F976 HydrophobicContact CG2-CZ 4.15Å
913	W	97.8	Very high	95.5	Very high	20 Å²	20	11 Å²	11	8%	0.076	6%	0.06	C	C	.	.	H	α-helix	trans	-64.4	-39.9	174	-172.7	95.1	0	0	0	112.8	G909 V910 T911 L915 M916 T917 A920 P922 L941 P942 P944 M955 W959	G909-W913 PolarHBondContact O-N 3.35Å; G909-W913 VanDerWaalsContact O-N 3.1Å; V910-W913 CarbonylContact O-C 3.58Å; V910-W913 WeakPolarHBondContact O-CA 3.49Å; V910-W913 WeakPolarHBondContact O-CB 3.24Å; V910-W913 PolarHBondContact O-N 3.02Å; V910-W913 VanDerWaalsContact O-N 3.15Å; T911-W913 VanDerWaalsContact C-N 3.29Å; T911-W913 PolarHBondContact O-N 3.33Å; W913-L915 PolarHBondContact O-N 3.36Å; W913-M916 PolarHBondContact O-N 3.41Å; W913-T917 HydrophobicContact CD2-CG2 3.91Å; W913-T917 HydrophobicContact CE3-CG2 4.19Å; W913-T917 HydrophobicContact CH2-CG2 4.1Å; W913-T917 HydrophobicContact CZ2-CG2 3.8Å; W913-T917 HydrophobicContact CZ3-CG2 4.27Å; W913-T917 WeakPolarHBondContact O-CB 3.48Å; W913-T917 WeakPolarHBondContact O-CG2 3.39Å; W913-T917 PolarHBondContact O-N 3.38Å; W913-T917 PolarHBondContact O-OG1 3.29Å; W913-A920 HydrophobicContact CH2-CB 4Å; W913-A920 HydrophobicContact CZ3-CB 4.04Å; W913-P922 HydrophobicContact CE3-CG 4.27Å; W913-P922 HydrophobicContact CZ3-CB 4.43Å; W913-P922 HydrophobicContact CZ3-CG 4.22Å; W913-L941 HydrophobicContact CB-CD1 4.15Å; W913-L941 HydrophobicContact CD2-CB 4.16Å; W913-L941 HydrophobicContact CD2-CD1 3.8Å; W913-L941 HydrophobicContact CD2-CG 4.38Å; W913-L941 HydrophobicContact CE3-CD1 4.06Å; W913-L941 HydrophobicContact CG-CB 4.11Å; W913-L941 HydrophobicContact CG-CD1 3.84Å; W913-L941 HydrophobicContact CH2-CD2 4.42Å; W913-L941 HydrophobicContact CZ2-CB 4.44Å; W913-L941 HydrophobicContact CZ2-CD2 4.29Å; W913-P942 PolarHBondContact NE1-O 3.02Å; W913-P944 HydrophobicContact CG-CG 4.33Å; W913-M955 HydrophobicContact CB-SD 4.4Å; W913-W959 HydrophobicContact CB-CH2 4.17Å; W913-W959 HydrophobicContact CB-CZ2 4.19Å; W913-W959 HydrophobicContact CG-CH2 4.34Å
914	E	97.2	Very high	95.3	Very high	2 Å²	2	15.5 Å²	15.5	1%	0.009	8%	0.084	C	C	.	.	H	α-helix	trans	-58.2	-45.9	172.2	-71.7	-177.8	105.4	0	0	111.3	A848 W888 V910 T911 T917 F918 G919 P922	A848-E914 HydrophobicContact CB-CB 3.87Å; A848-E914 HydrophobicContact CB-CG 4.44Å; A848-E914 PolarHBondContact N-OE2 2.99Å; W888-E914 WeakPolarHBondContact CZ2-OE1 3.43Å; W888-E914 VanDerWaalsContact NE1-CD 3.25Å; W888-E914 PolarHBondContact NE1-OE2 3.08Å; V910-E914 PolarHBondContact O-N 3.37Å; T911-E914 WeakPolarHBondContact O-CB 3.44Å; T911-E914 PolarHBondContact O-N 2.84Å; E914-T917 PolarHBondContact O-N 2.79Å; E914-T917 PolarHBondContact O-OG1 3.01Å; E914-T917 VanDerWaalsContact O-OG1 3.14Å; E914-F918 PolarHBondContact O-N 3.45Å; E914-G919 WeakPolarHBondContact O-CA 3.48Å; E914-G919 PolarHBondContact O-N 3.4Å; E914-P922 HydrophobicContact CG-CG 3.94Å
915	L	95.8	Very high	94.8	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-64	-47.9	178.3	-63.8	177.6	0	0	0	111.9	L806 V810 L822 W825 I829 T911 V912 W913 T917 F918	L806-L915 HydrophobicContact CD1-CD2 4.37Å; L806-L915 HydrophobicContact CD2-CD1 4.3Å; L806-L915 HydrophobicContact CD2-CD2 3.56Å; L806-L915 HydrophobicContact CG-CD2 3.67Å; V810-L915 HydrophobicContact CG1-CD2 3.96Å; L822-L915 HydrophobicContact CD2-CB 4.44Å; W825-L915 HydrophobicContact CB-CD1 4.33Å; I829-L915 HydrophobicContact CD1-CD1 3.98Å; T911-L915 WeakPolarHBondContact O-CG 3.47Å; T911-L915 PolarHBondContact O-N 3.41Å; V912-L915 PolarHBondContact O-N 3.32Å; W913-L915 PolarHBondContact O-N 3.36Å; L915-T917 PolarHBondContact O-N 3.21Å; L915-F918 PolarHBondContact O-N 3.5Å
916	M	94.9	Very high	94.2	Very high	2 Å²	2	21.4 Å²	21.4	1%	0.01	13%	0.132	C	C	.	.	H	α-helix	trans	-72.6	-7.6	-177.5	-62.7	-64.9	172.8	0	0	113.7	L822 L823 V912 W913 P944 I946 C947 V951 M955 V987	L822-M916 HydrophobicContact CB-CE 4.09Å; L822-M916 HydrophobicContact CB-SD 4.23Å; L822-M916 HydrophobicContact CD1-SD 4.08Å; L823-M916 HydrophobicContact CD2-CE 3.87Å; L823-M916 HydrophobicContact CG-CE 4.36Å; V912-M916 HydrophobicContact CG1-CE 4.4Å; V912-M916 HydrophobicContact CG1-CG 4.15Å; V912-M916 WeakPolarHBondContact O-CB 3.44Å; V912-M916 WeakPolarHBondContact O-CG 3.48Å; V912-M916 PolarHBondContact O-N 3.41Å; W913-M916 PolarHBondContact O-N 3.41Å; M916-P944 HydrophobicContact CB-CB 3.88Å; M916-P944 HydrophobicContact CB-CG 3.85Å; M916-P944 WeakPolarHBondContact O-CB 3.49Å; M916-I946 WeakPolarHBondContact O-CD1 3.48Å; M916-I946 VanDerWaalsContact O-CG1 3.3Å; M916-I946 WeakPolarHBondContact O-CG1 3.49Å; M916-I946 HydrophobicContact SD-CD1 4.27Å; M916-C947 VanDerWaalsContact CB-SG 3.53Å; M916-C947 WeakPolarHBondContact CG-SG 3.42Å; M916-V951 HydrophobicContact CE-CG1 4.37Å; M916-M955 HydrophobicContact CB-CE 4Å; M916-M955 HydrophobicContact CG-CE 3.79Å; M916-V987 HydrophobicContact CE-CG2 3.85Å; M916-V987 HydrophobicContact SD-CG1 4.24Å; M916-V987 HydrophobicContact SD-CG2 3.75Å
917	T	94.4	Very high	93.4	Very high	29 Å²	29	23.7 Å²	23.7	18%	0.178	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.5	5.9	170.8	56.1	0	0	0	0	113.3	W913 E914 L915 G919 A920 P944	W913-T917 HydrophobicContact CD2-CG2 3.91Å; W913-T917 HydrophobicContact CE3-CG2 4.19Å; W913-T917 HydrophobicContact CH2-CG2 4.1Å; W913-T917 HydrophobicContact CZ2-CG2 3.8Å; W913-T917 HydrophobicContact CZ3-CG2 4.27Å; W913-T917 WeakPolarHBondContact O-CB 3.48Å; W913-T917 WeakPolarHBondContact O-CG2 3.39Å; W913-T917 PolarHBondContact O-N 3.38Å; W913-T917 PolarHBondContact O-OG1 3.29Å; E914-T917 PolarHBondContact O-N 2.79Å; E914-T917 PolarHBondContact O-OG1 3.01Å; E914-T917 VanDerWaalsContact O-OG1 3.14Å; L915-T917 PolarHBondContact O-N 3.21Å; T917-G919 VanDerWaalsContact C-N 3.29Å; T917-G919 PolarHBondContact O-N 3.38Å; T917-A920 HydrophobicContact CG2-CB 4.39Å; T917-A920 WeakPolarHBondContact OG1-CB 3.4Å; T917-A920 PolarHBondContact OG1-N 3.17Å; T917-P944 HydrophobicContact CG2-CB 3.98Å; T917-P944 HydrophobicContact CG2-CG 4.02Å
918	F	93.4	Very high	92.3	Very high	22 Å²	22	24.1 Å²	24.1	10%	0.096	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.9	40.1	-173.3	-54.2	-87.3	0	0	0	113.2	R811 R814 L817 L822 E914 L915 I946 I989	R811-F918 WeakPolarHBondContact CG-O 3.39Å; R814-F918 HydrophobicContact CB-CB 4.28Å; R814-F918 HydrophobicContact CB-CD1 4.09Å; R814-F918 HydrophobicContact CB-CG 4.29Å; R814-F918 HydrophobicContact CG-CB 3.88Å; R814-F918 HydrophobicContact CG-CD1 3.73Å; R814-F918 HydrophobicContact CG-CD2 4.08Å; R814-F918 HydrophobicContact CG-CE1 4.24Å; R814-F918 HydrophobicContact CG-CG 3.63Å; L817-F918 HydrophobicContact CB-CE1 4.42Å; L822-F918 HydrophobicContact CD1-CE1 4.29Å; L822-F918 HydrophobicContact CD1-CZ 4.34Å; E914-F918 PolarHBondContact O-N 3.45Å; L915-F918 PolarHBondContact O-N 3.5Å; F918-I946 HydrophobicContact CE2-CD1 3.79Å; F918-I946 HydrophobicContact CE2-CG2 4.36Å; F918-I946 HydrophobicContact CZ-CD1 3.93Å; F918-I989 HydrophobicContact CZ-CD1 4.1Å
919	G	91.8	Very high	91.5	Very high	6 Å²	6	32.9 Å²	32.9	6%	0.062	18%	0.184	C	C	.	.	S	Bend	trans	85.3	33.3	174	0	0	0	0	0	115.1	L807 R811 E914 T917	L807-G919 VanDerWaalsContact CD1-CA 3.46Å; R811-G919 PolarHBondContact NE-O 2.94Å; R811-G919 PolarHBondContact NH2-O 3.21Å; E914-G919 WeakPolarHBondContact O-CA 3.48Å; E914-G919 PolarHBondContact O-N 3.4Å; T917-G919 VanDerWaalsContact C-N 3.29Å; T917-G919 PolarHBondContact O-N 3.38Å
920	A	93.3	Very high	90.9	Very high	40 Å²	40	36.4 Å²	36.4	33%	0.331	20%	0.2	S	C	.	.	P	Polyproline II helix	trans	-66.8	157	168.5	0	0	0	0	0	111.1	W913 T917 P922	W913-A920 HydrophobicContact CH2-CB 4Å; W913-A920 HydrophobicContact CZ3-CB 4.04Å; T917-A920 HydrophobicContact CG2-CB 4.39Å; T917-A920 WeakPolarHBondContact OG1-CB 3.4Å; T917-A920 PolarHBondContact OG1-N 3.17Å; A920-P922 WeakPolarHBondContact O-CD 3.31Å
921	K	90.9	Very high	90.5	Very high	78 Å²	78	36.4 Å²	36.4	34%	0.339	20%	0.2	S	C	.	.	P	Polyproline II helix	trans	-78.6	126.6	177.6	-68.3	176.9	-178	177.2	0	110.2	Y923 D924 N1245	K921-Y923 PolarHBondContact O-N 3.47Å; K921-D924 HydrophobicContact CB-CB 3.88Å; K921-D924 VanDerWaalsContact CD-OD1 3.31Å; K921-D924 WeakPolarHBondContact CD-OD1 3.18Å; K921-D924 PolarHBondContact O-N 3.13Å; K921-N1245 PolarHBondContact NZ-OD1 2.82Å
922	P	93.3	Very high	90	Very high	1 Å²	1	37.3 Å²	37.3	1%	0.006	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	132.1	170.4	-24.4	35.5	0	0	0	111.1	K887 W888 V910 W913 E914 A920 D924 L941	K887-P922 WeakPolarHBondContact CD-O 3.34Å; W888-P922 HydrophobicContact CZ2-CG 3.87Å; V910-P922 HydrophobicContact CG1-CB 3.79Å; V910-P922 HydrophobicContact CG1-CG 3.47Å; V910-P922 VanDerWaalsContact CG1-CG 3.47Å; W913-P922 HydrophobicContact CE3-CG 4.27Å; W913-P922 HydrophobicContact CZ3-CB 4.43Å; W913-P922 HydrophobicContact CZ3-CG 4.22Å; E914-P922 HydrophobicContact CG-CG 3.94Å; A920-P922 WeakPolarHBondContact O-CD 3.31Å; P922-D924 VanDerWaalsContact C-N 3.31Å; P922-D924 PolarHBondContact O-N 2.93Å; P922-L941 HydrophobicContact CB-CD1 4.12Å; P922-L941 HydrophobicContact CB-CD2 4.13Å
923	Y	92	Very high	89.5	Confident	15 Å²	15	41.6 Å²	41.6	6%	0.059	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.6	47.4	-178.1	-51.4	-78.5	0	0	0	112.8	K887 K921 I926 I931 L934 L935 L941	K887-Y923 HydrophobicContact CB-CD2 4.48Å; K887-Y923 VanDerWaalsContact CE-O 3.3Å; K887-Y923 WeakPolarHBondContact CE-O 3.09Å; K887-Y923 HydrophobicContact CG-CD2 4.43Å; K887-Y923 PolarHBondContact NZ-O 2.82Å; K921-Y923 PolarHBondContact O-N 3.47Å; Y923-I926 HydrophobicContact CD1-CD1 4.46Å; Y923-I926 WeakPolarHBondContact O-CB 3.41Å; Y923-I926 PolarHBondContact O-N 2.72Å; Y923-I931 HydrophobicContact CD1-CD1 4.31Å; Y923-I931 HydrophobicContact CD2-CD1 4.06Å; Y923-I931 HydrophobicContact CG-CD1 3.72Å; Y923-L934 HydrophobicContact CD1-CD2 4.1Å; Y923-L934 HydrophobicContact CE1-CD2 3.71Å; Y923-L935 WeakPolarHBondContact OH-CD2 3.01Å; Y923-L941 HydrophobicContact CD1-CD2 3.78Å; Y923-L941 HydrophobicContact CD2-CD2 3.78Å; Y923-L941 HydrophobicContact CD2-CG 4.42Å; Y923-L941 HydrophobicContact CE1-CD2 3.71Å; Y923-L941 HydrophobicContact CE1-CG 4Å; Y923-L941 HydrophobicContact CE2-CD1 4.24Å; Y923-L941 HydrophobicContact CE2-CD2 3.71Å; Y923-L941 HydrophobicContact CE2-CG 3.85Å; Y923-L941 HydrophobicContact CG-CD2 3.8Å
924	D	89.3	Confident	89.2	Confident	99 Å²	99	42.1 Å²	42.1	53%	0.529	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	146.3	-178.7	-152.3	1.9	0	0	0	112.2	K921 P922 I926	K921-D924 HydrophobicContact CB-CB 3.88Å; K921-D924 VanDerWaalsContact CD-OD1 3.31Å; K921-D924 WeakPolarHBondContact CD-OD1 3.18Å; K921-D924 PolarHBondContact O-N 3.13Å; P922-D924 VanDerWaalsContact C-N 3.31Å; P922-D924 PolarHBondContact O-N 2.93Å; D924-I926 PolarHBondContact O-N 3.11Å
925	G	85.6	Confident	89	Confident	71 Å²	71	42 Å²	42	73%	0.732	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	70	-16.5	-172.9	0	0	0	0	0	116.2
926	I	86.3	Confident	88.7	Confident	52 Å²	52	47.8 Å²	47.8	27%	0.267	26%	0.259	S	S	.	.	S	Bend	trans	-87.9	124.2	179.9	-56.3	175	0	0	0	109.5	K887 Y923 D924 E930 I931 L934	K887-I926 WeakPolarHBondContact CE-O 3.47Å; K887-I926 PolarHBondContact NZ-O 3.1Å; Y923-I926 HydrophobicContact CD1-CD1 4.46Å; Y923-I926 WeakPolarHBondContact O-CB 3.41Å; Y923-I926 PolarHBondContact O-N 2.72Å; D924-I926 PolarHBondContact O-N 3.11Å; I926-E930 HydrophobicContact CG2-CB 4.25Å; I926-I931 HydrophobicContact CB-CD1 4.31Å; I926-I931 HydrophobicContact CG2-CD1 3.82Å; I926-L934 HydrophobicContact CD1-CD1 3.61Å; I926-L934 HydrophobicContact CG2-CD1 4.45Å
927	P	78.9	Confident	88.4	Confident	50 Å²	50	55 Å²	55	33%	0.325	29%	0.291	S	S	.	.			trans	-63.3	136.7	177.9	-24	35.3	0	0	0	112.4	R929 E930	P927-R929 HydrophobicContact CB-CG 4.28Å; P927-R929 PolarHBondContact O-N 3.16Å; P927-E930 PolarHBondContact O-N 2.99Å
928	A	75.5	Confident	88.2	Confident	15 Å²	15	56 Å²	56	12%	0.124	31%	0.306	C	S	.	.	G	3₁₀ helix	trans	-49.1	-30.2	-179.5	0	0	0	0	0	115.4	I886 E930 I931 E1247	I886-A928 HydrophobicContact CB-CB 4.3Å; I886-A928 HydrophobicContact CD1-CB 4.24Å; I886-A928 WeakPolarHBondContact CG2-O 3.35Å; A928-E930 VanDerWaalsContact C-N 3.31Å; A928-E930 PolarHBondContact O-N 3.38Å; A928-I931 WeakPolarHBondContact O-CG1 3.42Å; A928-E1247 PolarHBondContact N-OE2 2.94Å
929	R	79.6	Confident	88.1	Confident	185 Å²	185	60.7 Å²	60.7	70%	0.698	33%	0.329	S	S	*	.	G	3₁₀ helix	trans	-67.8	-23.5	177.4	78.1	-168.1	177.1	176.2	-0.2	114.5	P927	P927-R929 HydrophobicContact CB-CG 4.28Å; P927-R929 PolarHBondContact O-N 3.16Å
930	E	86.6	Confident	88.2	Confident	74 Å²	74	62.6 Å²	62.6	35%	0.346	33%	0.334	S	S	.	.	G	3₁₀ helix	trans	-95.1	-7.5	-175.9	-76.9	151.4	-126.8	0	0	112.5	I926 P927 A928 L934	I926-E930 HydrophobicContact CG2-CB 4.25Å; P927-E930 PolarHBondContact O-N 2.99Å; A928-E930 VanDerWaalsContact C-N 3.31Å; A928-E930 PolarHBondContact O-N 3.38Å; E930-L934 WeakPolarHBondContact O-CB 3.42Å; E930-L934 PolarHBondContact O-N 3.16Å; E930-L934 VanDerWaalsContact O-N 3.16Å
931	I	88.4	Confident	88.3	Confident	1 Å²	1	60.9 Å²	60.9	1%	0.005	32%	0.319	C	S	.	.	H	α-helix	trans	-59.4	-47.6	176.5	-57.3	-62.9	0	0	0	113.6	I886 K887 I894 Y923 I926 A928 D933 L934 L935	I886-I931 HydrophobicContact CG2-CB 4.12Å; I886-I931 HydrophobicContact CG2-CG1 4.45Å; I886-I931 HydrophobicContact CG2-CG2 4.33Å; K887-I931 HydrophobicContact CG-CD1 4.1Å; K887-I931 HydrophobicContact CG-CG1 4.09Å; I894-I931 HydrophobicContact CD1-CG2 4.35Å; Y923-I931 HydrophobicContact CD1-CD1 4.31Å; Y923-I931 HydrophobicContact CD2-CD1 4.06Å; Y923-I931 HydrophobicContact CG-CD1 3.72Å; I926-I931 HydrophobicContact CB-CD1 4.31Å; I926-I931 HydrophobicContact CG2-CD1 3.82Å; A928-I931 WeakPolarHBondContact O-CG1 3.42Å; I931-D933 PolarHBondContact O-N 3.05Å; I931-L934 WeakPolarHBondContact O-CB 3.1Å; I931-L934 PolarHBondContact O-N 2.68Å; I931-L934 VanDerWaalsContact O-N 3.14Å; I931-L935 HydrophobicContact CG2-CD1 3.74Å; I931-L935 HydrophobicContact CG2-CG 4.05Å; I931-L935 VanDerWaalsContact O-CG 3.31Å; I931-L935 WeakPolarHBondContact O-CG 3.44Å; I931-L935 PolarHBondContact O-N 2.94Å
932	P	87.2	Confident	88.5	Confident	18 Å²	18	61.3 Å²	61.3	12%	0.117	33%	0.33	C	S	.	.	H	α-helix	trans	-58.6	-48	178.2	19.3	-30.9	0	0	0	112.7	L891 I894 L895 L934 L935 E936	L891-P932 HydrophobicContact CD1-CB 4.11Å; I894-P932 HydrophobicContact CG2-CB 4.06Å; I894-P932 HydrophobicContact CG2-CG 4.2Å; L895-P932 HydrophobicContact CD2-CB 4.04Å; P932-L934 PolarHBondContact O-N 2.75Å; P932-L935 PolarHBondContact O-N 3.3Å; P932-E936 PolarHBondContact O-N 3.17Å
933	D	87.7	Confident	88.6	Confident	93 Å²	93	64.8 Å²	64.8	50%	0.497	35%	0.347	S	S	.	.	H	α-helix	trans	-58	-29.5	175.8	-75.2	27.5	0	0	0	113.4	I931 K937	I931-D933 PolarHBondContact O-N 3.05Å; D933-K937 VanDerWaalsContact O-CD 3.25Å; D933-K937 WeakPolarHBondContact O-CD 3.34Å; D933-K937 VanDerWaalsContact O-CE 3.25Å; D933-K937 WeakPolarHBondContact O-CE 3.28Å; D933-K937 VanDerWaalsContact O-CG 3.27Å; D933-K937 WeakPolarHBondContact O-CG 3.35Å; D933-K937 PolarHBondContact O-NZ 3.24Å
934	L	91.2	Very high	88.8	Confident	31 Å²	31	64.2 Å²	64.2	16%	0.162	34%	0.344	C	S	.	.	H	α-helix	trans	-77.9	-48.4	176.9	179.7	153.2	0	0	0	110.2	Y923 I926 E930 I931 P932 E936 K937 E939	Y923-L934 HydrophobicContact CD1-CD2 4.1Å; Y923-L934 HydrophobicContact CE1-CD2 3.71Å; I926-L934 HydrophobicContact CD1-CD1 3.61Å; I926-L934 HydrophobicContact CG2-CD1 4.45Å; E930-L934 WeakPolarHBondContact O-CB 3.42Å; E930-L934 PolarHBondContact O-N 3.16Å; E930-L934 VanDerWaalsContact O-N 3.16Å; I931-L934 WeakPolarHBondContact O-CB 3.1Å; I931-L934 PolarHBondContact O-N 2.68Å; I931-L934 VanDerWaalsContact O-N 3.14Å; P932-L934 PolarHBondContact O-N 2.75Å; L934-E936 PolarHBondContact O-N 2.83Å; L934-K937 WeakPolarHBondContact O-CB 3.31Å; L934-K937 PolarHBondContact O-N 3.49Å; L934-K937 VanDerWaalsContact O-N 3.13Å; L934-E939 HydrophobicContact CD2-CB 3.47Å; L934-E939 VanDerWaalsContact CD2-CB 3.47Å; L934-E939 HydrophobicContact CG-CB 3.63Å; L934-E939 HydrophobicContact CG-CG 4.24Å; L934-E939 WeakPolarHBondContact O-CB 3.28Å; L934-E939 PolarHBondContact O-N 2.91Å
935	L	92.2	Very high	88.8	Confident	1 Å²	1	65.8 Å²	65.8	1%	0.005	36%	0.36	C	S	.	.	H	α-helix	trans	-63.9	-37.6	-179.5	-68.3	178.5	0	0	0	112.8	L891 I894 W906 Y923 I931 P932 K937 G938 R940	L891-L935 HydrophobicContact CD1-CB 4.12Å; L891-L935 HydrophobicContact CD1-CD1 4.49Å; I894-L935 HydrophobicContact CD1-CD1 4.08Å; W906-L935 HydrophobicContact CH2-CD1 4.2Å; W906-L935 HydrophobicContact CH2-CD2 4.01Å; W906-L935 HydrophobicContact CZ2-CD1 3.63Å; W906-L935 HydrophobicContact CZ2-CD2 3.61Å; W906-L935 HydrophobicContact CZ2-CG 4.18Å; Y923-L935 WeakPolarHBondContact OH-CD2 3.01Å; I931-L935 HydrophobicContact CG2-CD1 3.74Å; I931-L935 HydrophobicContact CG2-CG 4.05Å; I931-L935 VanDerWaalsContact O-CG 3.31Å; I931-L935 WeakPolarHBondContact O-CG 3.44Å; I931-L935 PolarHBondContact O-N 2.94Å; P932-L935 PolarHBondContact O-N 3.3Å; L935-K937 VanDerWaalsContact C-N 3.27Å; L935-K937 PolarHBondContact O-N 2.98Å; L935-G938 PolarHBondContact O-N 3.42Å; L935-G938 VanDerWaalsContact O-N 3.11Å; L935-R940 PolarHBondContact O-NH1 3.39Å
936	E	89.6	Confident	89.1	Confident	120 Å²	120	63.7 Å²	63.7	56%	0.561	33%	0.332	S	S	*	.	H	α-helix	trans	-62	-30.8	174	-79.8	-170.5	176.7	0	0	113.1	L891 L895 P932 L934 G938	L891-E936 HydrophobicContact CD1-CG 4.24Å; L891-E936 HydrophobicContact CD2-CG 3.76Å; L895-E936 WeakPolarHBondContact CD1-OE1 3.35Å; P932-E936 PolarHBondContact O-N 3.17Å; L934-E936 PolarHBondContact O-N 2.83Å; E936-G938 PolarHBondContact O-N 3.18Å
937	K	90.4	Very high	89.4	Confident	154 Å²	154	61.6 Å²	61.6	67%	0.67	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.6	-4.7	176	-66.6	168.6	-169	118.4	0	113.3	D933 L934 L935 E939	D933-K937 VanDerWaalsContact O-CD 3.25Å; D933-K937 WeakPolarHBondContact O-CD 3.34Å; D933-K937 VanDerWaalsContact O-CE 3.25Å; D933-K937 WeakPolarHBondContact O-CE 3.28Å; D933-K937 VanDerWaalsContact O-CG 3.27Å; D933-K937 WeakPolarHBondContact O-CG 3.35Å; D933-K937 PolarHBondContact O-NZ 3.24Å; L934-K937 WeakPolarHBondContact O-CB 3.31Å; L934-K937 PolarHBondContact O-N 3.49Å; L934-K937 VanDerWaalsContact O-N 3.13Å; L935-K937 VanDerWaalsContact C-N 3.27Å; L935-K937 PolarHBondContact O-N 2.98Å; K937-E939 HydrophobicContact CB-CG 4.46Å
938	G	88.5	Confident	90.1	Very high	49 Å²	49	60.9 Å²	60.9	51%	0.505	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	88.6	-2.1	-177.3	0	0	0	0	0	114.7	L935 E936 R940	L935-G938 PolarHBondContact O-N 3.42Å; L935-G938 VanDerWaalsContact O-N 3.11Å; E936-G938 PolarHBondContact O-N 3.18Å; G938-R940 PolarHBondContact O-NH1 2.8Å
939	E	91.2	Very high	90.9	Very high	121 Å²	121	64.1 Å²	64.1	57%	0.565	33%	0.331	S	S	*	.			trans	-62.9	144.4	176.3	-66.7	-76.3	-168.6	0	0	111.3	L934 K937	L934-E939 HydrophobicContact CD2-CB 3.47Å; L934-E939 VanDerWaalsContact CD2-CB 3.47Å; L934-E939 HydrophobicContact CG-CB 3.63Å; L934-E939 HydrophobicContact CG-CG 4.24Å; L934-E939 WeakPolarHBondContact O-CB 3.28Å; L934-E939 PolarHBondContact O-N 2.91Å; K937-E939 HydrophobicContact CB-CG 4.46Å
940	R	94.3	Very high	91.6	Very high	46 Å²	46	58.7 Å²	58.7	17%	0.174	32%	0.316	C	S	.	.			trans	-143.2	169.9	-175.6	-65.4	-60.9	-179	-91.3	3.1	111.5	L935 G938 W959	L935-R940 PolarHBondContact O-NH1 3.39Å; G938-R940 PolarHBondContact O-NH1 2.8Å; R940-W959 HydrophobicContact CB-CE3 4.12Å; R940-W959 HydrophobicContact CB-CZ3 4.47Å; R940-W959 HydrophobicContact CG-CE3 4.37Å; R940-W959 PolarHBondContact NE-O 2.75Å; R940-W959 PolarHBondContact NH2-O 3.11Å
941	L	95.7	Very high	92	Very high	4 Å²	4	55.1 Å²	55.1	2%	0.021	30%	0.299	C	S	.	.	P	Polyproline II helix	trans	-63.9	135.9	171.4	-63	170.1	0	0	0	110.1	V910 W913 P922 Y923 Y952 W959	V910-L941 HydrophobicContact CG1-CD1 4.1Å; V910-L941 HydrophobicContact CG2-CD1 4.21Å; W913-L941 HydrophobicContact CB-CD1 4.15Å; W913-L941 HydrophobicContact CD2-CB 4.16Å; W913-L941 HydrophobicContact CD2-CD1 3.8Å; W913-L941 HydrophobicContact CD2-CG 4.38Å; W913-L941 HydrophobicContact CE3-CD1 4.06Å; W913-L941 HydrophobicContact CG-CB 4.11Å; W913-L941 HydrophobicContact CG-CD1 3.84Å; W913-L941 HydrophobicContact CH2-CD2 4.42Å; W913-L941 HydrophobicContact CZ2-CB 4.44Å; W913-L941 HydrophobicContact CZ2-CD2 4.29Å; P922-L941 HydrophobicContact CB-CD1 4.12Å; P922-L941 HydrophobicContact CB-CD2 4.13Å; Y923-L941 HydrophobicContact CD1-CD2 3.78Å; Y923-L941 HydrophobicContact CD2-CD2 3.78Å; Y923-L941 HydrophobicContact CD2-CG 4.42Å; Y923-L941 HydrophobicContact CE1-CD2 3.71Å; Y923-L941 HydrophobicContact CE1-CG 4Å; Y923-L941 HydrophobicContact CE2-CD1 4.24Å; Y923-L941 HydrophobicContact CE2-CD2 3.71Å; Y923-L941 HydrophobicContact CE2-CG 3.85Å; Y923-L941 HydrophobicContact CG-CD2 3.8Å; L941-Y952 PolarHBondContact O-OH 2.85Å; L941-W959 HydrophobicContact CB-CH2 3.7Å; L941-W959 HydrophobicContact CB-CZ2 4.36Å; L941-W959 HydrophobicContact CB-CZ3 4.04Å; L941-W959 HydrophobicContact CD1-CH2 4.01Å; L941-W959 HydrophobicContact CD1-CZ2 3.83Å; L941-W959 HydrophobicContact CG-CH2 4.32Å
942	P	95.2	Very high	92.4	Very high	88 Å²	88	56.9 Å²	56.9	57%	0.571	31%	0.306	S	S	*	.	P	Polyproline II helix	trans	-71.6	156.1	-175.8	30.2	-36.5	0	0	0	112.2	W913 P944	W913-P942 PolarHBondContact NE1-O 3.02Å; P942-P944 WeakPolarHBondContact O-CD 3.28Å
943	Q	96.2	Very high	92.8	Very high	74 Å²	74	59.4 Å²	59.4	35%	0.346	32%	0.317	S	S	.	.	P	Polyproline II helix	trans	-55.5	122.5	175.6	179.1	168.8	-12.1	0	0	111.6	C947 Y952	Q943-C947 PolarHBondContact NE2-O 3.48Å; Q943-Y952 HydrophobicContact CB-CD1 3.91Å; Q943-Y952 HydrophobicContact CB-CD2 3.76Å; Q943-Y952 HydrophobicContact CB-CE1 4.08Å; Q943-Y952 HydrophobicContact CB-CE2 3.94Å; Q943-Y952 HydrophobicContact CB-CG 3.75Å; Q943-Y952 HydrophobicContact CG-CD1 4.23Å; Q943-Y952 HydrophobicContact CG-CD2 4.15Å; Q943-Y952 HydrophobicContact CG-CG 3.83Å
944	P	94.6	Very high	93.2	Very high	2 Å²	2	55.7 Å²	55.7	1%	0.013	30%	0.297	C	S	.	.	P	Polyproline II helix	trans	-63.1	135.7	174.9	-24.3	35.9	0	0	0	111.1	W913 M916 T917 P942 I946 C947 M955	W913-P944 HydrophobicContact CG-CG 4.33Å; M916-P944 HydrophobicContact CB-CB 3.88Å; M916-P944 HydrophobicContact CB-CG 3.85Å; M916-P944 WeakPolarHBondContact O-CB 3.49Å; T917-P944 HydrophobicContact CG2-CB 3.98Å; T917-P944 HydrophobicContact CG2-CG 4.02Å; P942-P944 WeakPolarHBondContact O-CD 3.28Å; P944-I946 PolarHBondContact O-N 2.89Å; P944-C947 HydrophobicContact CB-CB 4.45Å; P944-C947 WeakPolarHBondContact O-CB 3.34Å; P944-C947 PolarHBondContact O-N 3.47Å; P944-M955 HydrophobicContact CG-CE 3.98Å; P944-M955 HydrophobicContact CG-SD 4.3Å
945	P	90.6	Very high	93.5	Very high	133 Å²	133	54.3 Å²	54.3	86%	0.864	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	-19.6	-173.2	-28.1	35.9	0	0	0	116.2
946	I	92	Very high	93.7	Very high	26 Å²	26	56.2 Å²	56.2	13%	0.133	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.8	-13.5	175.6	62.5	167.6	0	0	0	113.1	L822 M916 F918 P944 V987 V988 I989	L822-I946 HydrophobicContact CD1-CD1 3.7Å; M916-I946 WeakPolarHBondContact O-CD1 3.48Å; M916-I946 VanDerWaalsContact O-CG1 3.3Å; M916-I946 WeakPolarHBondContact O-CG1 3.49Å; M916-I946 HydrophobicContact SD-CD1 4.27Å; F918-I946 HydrophobicContact CE2-CD1 3.79Å; F918-I946 HydrophobicContact CE2-CG2 4.36Å; F918-I946 HydrophobicContact CZ-CD1 3.93Å; P944-I946 PolarHBondContact O-N 2.89Å; I946-V987 HydrophobicContact CB-CG1 4.19Å; I946-V987 HydrophobicContact CD1-CG1 3.75Å; I946-V987 HydrophobicContact CG1-CG1 4.1Å; I946-V987 CarbonylContact O-C 3.53Å; I946-V987 VanDerWaalsContact O-CA 3.29Å; I946-V987 WeakPolarHBondContact O-CA 3.48Å; I946-V988 WeakPolarHBondContact CB-O 3.44Å; I946-V988 WeakPolarHBondContact CG2-O 3.47Å; I946-V988 PolarHBondContact O-N 2.68Å; I946-I989 HydrophobicContact CD1-CG1 4.5Å
947	C	91.7	Very high	94	Very high	9 Å²	9	56.2 Å²	56.2	6%	0.061	30%	0.3	C	S	.	.	B	Isolated β-bridge	trans	-89.1	137.1	-176.5	-71.9	0	0	0	0	112.3	M916 Q943 P944 V951	M916-C947 VanDerWaalsContact CB-SG 3.53Å; M916-C947 WeakPolarHBondContact CG-SG 3.42Å; Q943-C947 PolarHBondContact NE2-O 3.48Å; P944-C947 HydrophobicContact CB-CB 4.45Å; P944-C947 WeakPolarHBondContact O-CB 3.34Å; P944-C947 PolarHBondContact O-N 3.47Å; C947-V951 HydrophobicContact CB-CB 4.14Å; C947-V951 HydrophobicContact CB-CG1 4.41Å
948	T	94	Very high	94.4	Very high	35 Å²	35	49 Å²	49	22%	0.215	27%	0.268	C	S	.	.			trans	-69.9	165.5	160.4	62.9	0	0	0	0	111.9	D950 V951 Y952 R985 F986	T948-D950 PolarHBondContact O-N 3.34Å; T948-V951 PolarHBondContact O-N 2.02Å; T948-Y952 PolarHBondContact O-N 2.93Å; T948-R985 WeakPolarHBondContact CG2-O 3.31Å; T948-F986 PolarHBondContact N-O 3.39Å; T948-F986 PolarHBondContact OG1-O 2.82Å
949	I	92.7	Very high	94.8	Very high	82 Å²	82	46.7 Å²	46.7	42%	0.421	24%	0.244	S	C	.	.	H	α-helix	trans	-54.2	-34.1	173.8	-171	168.9	0	0	0	112.3	V951 Y952 M953 Y1139	I949-V951 PolarHBondContact O-N 2.96Å; I949-Y952 PolarHBondContact O-N 2.88Å; I949-M953 HydrophobicContact CD1-CE 3.96Å; I949-M953 HydrophobicContact CG1-CE 3.93Å; I949-M953 HydrophobicContact CG1-CG 4.01Å; I949-M953 WeakPolarHBondContact O-CB 3.47Å; I949-M953 WeakPolarHBondContact O-CG 3.41Å; I949-M953 PolarHBondContact O-N 2.72Å; I949-Y1139 WeakPolarHBondContact CD1-OH 3.41Å
950	D	93.3	Very high	95	Very high	71 Å²	71	44.6 Å²	44.6	38%	0.38	24%	0.235	S	C	.	.	H	α-helix	trans	-61.4	-44.1	180	-66.2	-31.6	0	0	0	112.2	T948 I954 M979 F986	T948-D950 PolarHBondContact O-N 3.34Å; D950-I954 PolarHBondContact O-N 3.49Å; D950-M979 HydrophobicContact CB-CE 3.93Å; D950-F986 HydrophobicContact CB-CD1 3.95Å; D950-F986 HydrophobicContact CB-CE1 4.16Å; D950-F986 WeakPolarHBondContact OD2-CE1 3.29Å
951	V	94.6	Very high	94.8	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-70	-41.3	177.9	-175.2	0	0	0	0	110.5	M916 C947 T948 I949 M953 I954 M955 M979 F986 V987	M916-V951 HydrophobicContact CE-CG1 4.37Å; C947-V951 HydrophobicContact CB-CB 4.14Å; C947-V951 HydrophobicContact CB-CG1 4.41Å; T948-V951 PolarHBondContact O-N 2.02Å; I949-V951 PolarHBondContact O-N 2.96Å; V951-M953 PolarHBondContact O-N 3.5Å; V951-I954 WeakPolarHBondContact O-CB 3.36Å; V951-I954 PolarHBondContact O-N 2.89Å; V951-M955 HydrophobicContact CG1-CE 4.16Å; V951-M955 PolarHBondContact O-N 3.11Å; V951-M979 HydrophobicContact CG2-CE 4.26Å; V951-M979 HydrophobicContact CG2-SD 3.93Å; V951-F986 HydrophobicContact CG2-CB 3.73Å; V951-F986 VanDerWaalsContact CG2-O 3.29Å; V951-F986 WeakPolarHBondContact CG2-O 3.34Å; V951-V987 HydrophobicContact CG2-CG2 4.37Å
952	Y	97.3	Very high	94.6	Very high	37 Å²	37	49.8 Å²	49.8	15%	0.145	27%	0.266	C	S	.	.	H	α-helix	trans	-66.4	-36.4	178.4	-175.6	-120	0	0	0	112.5	L941 Q943 T948 I949 I954 M955 V956 W959	L941-Y952 PolarHBondContact O-OH 2.85Å; Q943-Y952 HydrophobicContact CB-CD1 3.91Å; Q943-Y952 HydrophobicContact CB-CD2 3.76Å; Q943-Y952 HydrophobicContact CB-CE1 4.08Å; Q943-Y952 HydrophobicContact CB-CE2 3.94Å; Q943-Y952 HydrophobicContact CB-CG 3.75Å; Q943-Y952 HydrophobicContact CG-CD1 4.23Å; Q943-Y952 HydrophobicContact CG-CD2 4.15Å; Q943-Y952 HydrophobicContact CG-CG 3.83Å; T948-Y952 PolarHBondContact O-N 2.93Å; I949-Y952 PolarHBondContact O-N 2.88Å; Y952-I954 PolarHBondContact O-N 3.13Å; Y952-M955 HydrophobicContact CD2-CB 4.42Å; Y952-M955 HydrophobicContact CD2-SD 3.92Å; Y952-M955 WeakPolarHBondContact O-CB 3.41Å; Y952-M955 PolarHBondContact O-N 3.08Å; Y952-V956 HydrophobicContact CD1-CG2 4.11Å; Y952-V956 HydrophobicContact CD2-CG2 4.42Å; Y952-V956 HydrophobicContact CE1-CG2 3.74Å; Y952-V956 HydrophobicContact CE2-CG2 4.08Å; Y952-V956 HydrophobicContact CG-CG2 4.44Å; Y952-V956 WeakPolarHBondContact O-CG2 3.42Å; Y952-V956 PolarHBondContact O-N 3.45Å; Y952-W959 HydrophobicContact CE2-CZ3 4.29Å
953	M	95.9	Very high	94.4	Very high	72 Å²	72	46.6 Å²	46.6	36%	0.355	25%	0.246	S	C	.	.	H	α-helix	trans	-62.8	-29.1	174.1	-75.1	-70	172.1	0	0	112.5	I949 V951 K957 Y1139	I949-M953 HydrophobicContact CD1-CE 3.96Å; I949-M953 HydrophobicContact CG1-CE 3.93Å; I949-M953 HydrophobicContact CG1-CG 4.01Å; I949-M953 WeakPolarHBondContact O-CB 3.47Å; I949-M953 WeakPolarHBondContact O-CG 3.41Å; I949-M953 PolarHBondContact O-N 2.72Å; V951-M953 PolarHBondContact O-N 3.5Å; M953-K957 WeakPolarHBondContact O-CB 3.43Å; M953-K957 VanDerWaalsContact O-CG 3.24Å; M953-K957 WeakPolarHBondContact O-CG 3.47Å; M953-K957 PolarHBondContact O-N 3.47Å; M953-Y1139 WeakPolarHBondContact CE-OH 3.45Å
954	I	96.2	Very high	94.1	Very high	15 Å²	15	51.1 Å²	51.1	8%	0.077	27%	0.267	C	S	.	.	H	α-helix	trans	-69.7	-44.6	170.5	-63.3	173.9	0	0	0	110.7	D950 V951 Y952 V956 K957 C958 L972 E975 F976 M979	D950-I954 PolarHBondContact O-N 3.49Å; V951-I954 WeakPolarHBondContact O-CB 3.36Å; V951-I954 PolarHBondContact O-N 2.89Å; Y952-I954 PolarHBondContact O-N 3.13Å; I954-V956 VanDerWaalsContact C-N 3.34Å; I954-V956 PolarHBondContact O-N 2.56Å; I954-K957 WeakPolarHBondContact O-CB 3.39Å; I954-K957 PolarHBondContact O-N 3.25Å; I954-C958 PolarHBondContact O-N 2.82Å; I954-C958 PolarHBondContact O-SG 3.1Å; I954-C958 VanDerWaalsContact O-SG 3.37Å; I954-L972 HydrophobicContact CG2-CD2 3.51Å; I954-E975 HydrophobicContact CD1-CB 3.74Å; I954-E975 HydrophobicContact CD1-CG 4.22Å; I954-F976 HydrophobicContact CD1-CE2 4.46Å; I954-F976 HydrophobicContact CG2-CE2 3.84Å; I954-F976 HydrophobicContact CG2-CZ 4.21Å; I954-M979 HydrophobicContact CD1-CE 3.46Å; I954-M979 VanDerWaalsContact CD1-CE 3.46Å; I954-M979 HydrophobicContact CD1-SD 3.97Å; I954-M979 HydrophobicContact CG1-CE 4.49Å
955	M	97.2	Very high	94	Very high	2 Å²	2	53.3 Å²	53.3	1%	0.01	28%	0.282	C	S	.	.	H	α-helix	trans	-57.9	-46.2	174.8	-60.2	170.6	179.8	0	0	111.6	V912 W913 M916 P944 V951 Y952 K957 C958 W959	V912-M955 HydrophobicContact CB-CE 4.42Å; V912-M955 HydrophobicContact CG1-CE 3.65Å; V912-M955 HydrophobicContact CG1-CG 4.43Å; W913-M955 HydrophobicContact CB-SD 4.4Å; M916-M955 HydrophobicContact CB-CE 4Å; M916-M955 HydrophobicContact CG-CE 3.79Å; P944-M955 HydrophobicContact CG-CE 3.98Å; P944-M955 HydrophobicContact CG-SD 4.3Å; V951-M955 HydrophobicContact CG1-CE 4.16Å; V951-M955 PolarHBondContact O-N 3.11Å; Y952-M955 HydrophobicContact CD2-CB 4.42Å; Y952-M955 HydrophobicContact CD2-SD 3.92Å; Y952-M955 WeakPolarHBondContact O-CB 3.41Å; Y952-M955 PolarHBondContact O-N 3.08Å; M955-K957 PolarHBondContact O-N 2.72Å; M955-C958 WeakPolarHBondContact O-CB 3.39Å; M955-C958 PolarHBondContact O-N 2.64Å; M955-C958 VanDerWaalsContact O-N 3.12Å; M955-W959 HydrophobicContact CB-CE3 4.27Å; M955-W959 HydrophobicContact CB-CH2 3.67Å; M955-W959 HydrophobicContact CB-CZ2 4.1Å; M955-W959 HydrophobicContact CB-CZ3 3.77Å; M955-W959 HydrophobicContact CG-CH2 4.33Å; M955-W959 PolarHBondContact O-N 3.36Å; M955-W959 HydrophobicContact SD-CH2 4.3Å
956	V	96.3	Very high	94.3	Very high	40 Å²	40	47.3 Å²	47.3	24%	0.242	24%	0.242	C	C	.	.	H	α-helix	trans	-62.5	-41.7	177.9	173.5	0	0	0	0	111.6	Y952 I954 C958 W959 M960	Y952-V956 HydrophobicContact CD1-CG2 4.11Å; Y952-V956 HydrophobicContact CD2-CG2 4.42Å; Y952-V956 HydrophobicContact CE1-CG2 3.74Å; Y952-V956 HydrophobicContact CE2-CG2 4.08Å; Y952-V956 HydrophobicContact CG-CG2 4.44Å; Y952-V956 WeakPolarHBondContact O-CG2 3.42Å; Y952-V956 PolarHBondContact O-N 3.45Å; I954-V956 VanDerWaalsContact C-N 3.34Å; I954-V956 PolarHBondContact O-N 2.56Å; V956-C958 VanDerWaalsContact C-N 3.31Å; V956-C958 PolarHBondContact O-N 2.79Å; V956-W959 CarbonylContact O-C 3.59Å; V956-W959 PolarHBondContact O-N 3.31Å; V956-M960 PolarHBondContact O-N 3.2Å
957	K	96.9	Very high	94.6	Very high	121 Å²	121	47 Å²	47	53%	0.526	24%	0.241	S	C	.	.	H	α-helix	trans	-59.5	-38	172.3	-78.8	175.1	179.3	-175.2	0	112.6	M953 I954 M955 W959 M960 P967	M953-K957 WeakPolarHBondContact O-CB 3.43Å; M953-K957 VanDerWaalsContact O-CG 3.24Å; M953-K957 WeakPolarHBondContact O-CG 3.47Å; M953-K957 PolarHBondContact O-N 3.47Å; I954-K957 WeakPolarHBondContact O-CB 3.39Å; I954-K957 PolarHBondContact O-N 3.25Å; M955-K957 PolarHBondContact O-N 2.72Å; K957-W959 PolarHBondContact O-N 3.14Å; K957-M960 WeakPolarHBondContact O-CG 3.28Å; K957-P967 HydrophobicContact CB-CG 4.3Å; K957-P967 WeakPolarHBondContact O-CD 3.45Å
958	C	97.7	Very high	94.8	Very high	1 Å²	1	52.8 Å²	52.8	1%	0.007	26%	0.262	C	S	.	.	H	α-helix	trans	-66.3	-22.6	173.1	-67.7	0	0	0	0	113.4	V905 W906 I954 M955 V956 R966	V905-C958 HydrophobicContact CG1-CB 4.07Å; V905-C958 WeakPolarHBondContact O-CB 3.39Å; W906-C958 WeakPolarHBondContact CA-O 3.31Å; I954-C958 PolarHBondContact O-N 2.82Å; I954-C958 PolarHBondContact O-SG 3.1Å; I954-C958 VanDerWaalsContact O-SG 3.37Å; M955-C958 WeakPolarHBondContact O-CB 3.39Å; M955-C958 PolarHBondContact O-N 2.64Å; M955-C958 VanDerWaalsContact O-N 3.12Å; V956-C958 VanDerWaalsContact C-N 3.31Å; V956-C958 PolarHBondContact O-N 2.79Å; C958-R966 WeakPolarHBondContact O-CD 3.49Å
959	W	97.1	Very high	94.9	Very high	2 Å²	2	51.1 Å²	51.1	1%	0.008	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.7	22.2	-178.3	-51.8	-40.3	0	0	0	114.7	W906 G909 V910 W913 R940 L941 Y952 M955 V956 K957	W906-W959 HydrophobicContact CD2-CB 4.43Å; W906-W959 AromaticContact CD2-CD1 3.77Å; W906-W959 HydrophobicContact CD2-CG 4.47Å; W906-W959 AromaticContact CE2-CD1 3.88Å; W906-W959 HydrophobicContact CE3-CB 4.19Å; W906-W959 AromaticContact CG-CD1 3.86Å; W906-W959 HydrophobicContact CH2-CB 4.26Å; W906-W959 HydrophobicContact CZ2-CB 4.49Å; W906-W959 HydrophobicContact CZ3-CB 4.11Å; W906-W959 VanDerWaalsContact CZ3-O 3.31Å; W906-W959 WeakPolarHBondContact CZ3-O 3.47Å; W906-W959 PolarHBondContact O-NE1 3.18Å; G909-W959 VanDerWaalsContact C-CZ2 3.48Å; G909-W959 WeakPolarHBondContact O-CZ2 3.4Å; V910-W959 HydrophobicContact CG2-CZ2 4.34Å; W913-W959 HydrophobicContact CB-CH2 4.17Å; W913-W959 HydrophobicContact CB-CZ2 4.19Å; W913-W959 HydrophobicContact CG-CH2 4.34Å; R940-W959 HydrophobicContact CB-CE3 4.12Å; R940-W959 HydrophobicContact CB-CZ3 4.47Å; R940-W959 HydrophobicContact CG-CE3 4.37Å; R940-W959 PolarHBondContact NE-O 2.75Å; R940-W959 PolarHBondContact NH2-O 3.11Å; L941-W959 HydrophobicContact CB-CH2 3.7Å; L941-W959 HydrophobicContact CB-CZ2 4.36Å; L941-W959 HydrophobicContact CB-CZ3 4.04Å; L941-W959 HydrophobicContact CD1-CH2 4.01Å; L941-W959 HydrophobicContact CD1-CZ2 3.83Å; L941-W959 HydrophobicContact CG-CH2 4.32Å; Y952-W959 HydrophobicContact CE2-CZ3 4.29Å; M955-W959 HydrophobicContact CB-CE3 4.27Å; M955-W959 HydrophobicContact CB-CH2 3.67Å; M955-W959 HydrophobicContact CB-CZ2 4.1Å; M955-W959 HydrophobicContact CB-CZ3 3.77Å; M955-W959 HydrophobicContact CG-CH2 4.33Å; M955-W959 PolarHBondContact O-N 3.36Å; M955-W959 HydrophobicContact SD-CH2 4.3Å; V956-W959 CarbonylContact O-C 3.59Å; V956-W959 PolarHBondContact O-N 3.31Å; K957-W959 PolarHBondContact O-N 3.14Å
960	M	95.2	Very high	95.1	Very high	76 Å²	76	54.4 Å²	54.4	37%	0.374	26%	0.259	S	S	.	.			trans	-59.9	137.2	168.7	-67.4	-63.9	-74.4	0	0	110.3	V956 K957 C965 R966	V956-M960 PolarHBondContact O-N 3.2Å; K957-M960 WeakPolarHBondContact O-CG 3.28Å; M960-C965 HydrophobicContact CB-CB 4.01Å; M960-C965 HydrophobicContact CE-CB 4.03Å; M960-C965 HydrophobicContact CG-CB 4.18Å; M960-R966 HydrophobicContact CB-CG 4.03Å; M960-R966 PolarHBondContact O-NE 3.31Å; M960-R966 PolarHBondContact O-NH2 3.49Å; M960-R966 VanDerWaalsContact O-NH2 3.13Å
961	I	90.9	Very high	95.3	Very high	87 Å²	87	56 Å²	56	45%	0.446	26%	0.264	S	S	.	.	S	Bend	trans	-60.7	-50.8	178.4	-67.2	-69	0	0	0	109.8	L891 S963 R966	L891-I961 HydrophobicContact CD2-CD1 3.73Å; I961-S963 PolarHBondContact O-N 2.88Å; I961-R966 PolarHBondContact O-NH2 2.88Å; I961-R966 VanDerWaalsContact O-NH2 3.08Å
962	D	90.4	Very high	95.4	Very high	72 Å²	72	56.1 Å²	56.1	39%	0.385	27%	0.265	S	S	.	.	S	Bend	trans	-65.9	124.8	169.7	177.3	17.4	0	0	0	110.4	E964 C965	D962-E964 VanDerWaalsContact C-N 3.34Å; D962-E964 PolarHBondContact OD1-N 3.1Å; D962-C965 HydrophobicContact CB-CB 4.2Å; D962-C965 PolarHBondContact O-N 2.79Å; D962-C965 PolarHBondContact OD2-SG 2.74Å
963	S	91.9	Very high	95.4	Very high	22 Å²	22	55.6 Å²	55.6	15%	0.154	27%	0.265	C	S	.	.	S	Bend	trans	-69.6	-26.8	176.9	53.5	0	0	0	0	113.6	Q902 I961 C965 R966	Q902-S963 WeakPolarHBondContact CG-O 3.2Å; Q902-S963 PolarHBondContact NE2-O 3.1Å; I961-S963 PolarHBondContact O-N 2.88Å; S963-C965 VanDerWaalsContact C-N 3.32Å; S963-R966 PolarHBondContact O-N 2.84Å
964	E	89.3	Confident	95.4	Very high	168 Å²	168	55.9 Å²	55.9	79%	0.785	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.3	-24	178.3	-61.7	-171.6	171.2	0	0	111.6	D962 R966	D962-E964 VanDerWaalsContact C-N 3.34Å; D962-E964 PolarHBondContact OD1-N 3.1Å; E964-R966 VanDerWaalsContact C-N 3.29Å; E964-R966 PolarHBondContact O-N 2.86Å
965	C	93.3	Very high	95.4	Very high	49 Å²	49	58.5 Å²	58.5	33%	0.331	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-0.5	172.2	-71.3	0	0	0	0	114.8	M960 D962 S963	M960-C965 HydrophobicContact CB-CB 4.01Å; M960-C965 HydrophobicContact CE-CB 4.03Å; M960-C965 HydrophobicContact CG-CB 4.18Å; D962-C965 HydrophobicContact CB-CB 4.2Å; D962-C965 PolarHBondContact O-N 2.79Å; D962-C965 PolarHBondContact OD2-SG 2.74Å; S963-C965 VanDerWaalsContact C-N 3.32Å
966	R	97.1	Very high	95.3	Very high	6 Å²	6	58.5 Å²	58.5	2%	0.023	29%	0.286	C	S	.	.	S	Bend	trans	-91.3	141.9	178.8	-58.9	176.9	-162.7	153.7	11.1	110.8	E892 Q902 V905 C958 M960 I961 S963 E964	E892-R966 IonicContact OE1-CZ 3.17Å; E892-R966 IonicContact OE1-NH1 3.85Å; E892-R966 PolarHBondContact OE1-NH1 3.48Å; E892-R966 IonicContact OE1-NH2 2.8Å; E892-R966 PolarHBondContact OE1-NH2 3.24Å; E892-R966 IonicContact OE2-CZ 3.72Å; E892-R966 IonicContact OE2-NH1 3.31Å; E892-R966 IonicContact OE2-NH2 2.93Å; E892-R966 PolarHBondContact OE2-NH2 2.83Å; Q902-R966 PolarHBondContact NE2-O 2.8Å; Q902-R966 WeakPolarHBondContact O-CD 3.41Å; Q902-R966 PolarHBondContact O-NH1 3.48Å; V905-R966 HydrophobicContact CG1-CB 4.02Å; C958-R966 WeakPolarHBondContact O-CD 3.49Å; M960-R966 HydrophobicContact CB-CG 4.03Å; M960-R966 PolarHBondContact O-NE 3.31Å; M960-R966 PolarHBondContact O-NH2 3.49Å; M960-R966 VanDerWaalsContact O-NH2 3.13Å; I961-R966 PolarHBondContact O-NH2 2.88Å; I961-R966 VanDerWaalsContact O-NH2 3.08Å; S963-R966 PolarHBondContact O-N 2.84Å; E964-R966 VanDerWaalsContact C-N 3.29Å; E964-R966 PolarHBondContact O-N 2.86Å
967	P	96.7	Very high	95.3	Very high	19 Å²	19	57.7 Å²	57.7	12%	0.123	28%	0.283	C	S	.	.	P	Polyproline II helix	trans	-69.3	149.5	-179.2	29.8	-35.6	0	0	0	111.7	V905 K957 E971 L972	V905-P967 HydrophobicContact CG1-CG 4.4Å; V905-P967 WeakPolarHBondContact CG1-O 3.38Å; V905-P967 WeakPolarHBondContact CG2-O 3.35Å; K957-P967 HydrophobicContact CB-CG 4.3Å; K957-P967 WeakPolarHBondContact O-CD 3.45Å; P967-E971 WeakPolarHBondContact CA-OE2 3.18Å; P967-E971 HydrophobicContact CB-CB 4.36Å; P967-E971 WeakPolarHBondContact CB-OE2 3.29Å; P967-L972 HydrophobicContact CB-CD2 4.36Å; P967-L972 HydrophobicContact CB-CG 4.31Å; P967-L972 HydrophobicContact CG-CD1 4.4Å; P967-L972 HydrophobicContact CG-CD2 3.81Å; P967-L972 HydrophobicContact CG-CG 4.09Å
968	R	95.9	Very high	95.1	Very high	132 Å²	132	56.9 Å²	56.9	50%	0.498	28%	0.276	S	S	.	.	P	Polyproline II helix	trans	-75.3	161.4	173.4	-70.5	-177.4	176.4	-101.8	7.2	111.9	E837 R970 E971 L972	E837-R968 IonicContact OE1-CZ 2.79Å; E837-R968 IonicContact OE1-NH1 2.68Å; E837-R968 PolarHBondContact OE1-NH1 3.24Å; R968-R970 VanDerWaalsContact C-N 3.26Å; R968-R970 PolarHBondContact O-N 3.33Å; R968-E971 HydrophobicContact CB-CG 4.37Å; R968-E971 PolarHBondContact N-OE2 2.74Å; R968-E971 WeakPolarHBondContact O-CB 3.28Å; R968-E971 PolarHBondContact O-N 3.04Å; R968-L972 PolarHBondContact O-N 2.92Å; R968-L972 VanDerWaalsContact O-N 3.08Å
969	F	97.5	Very high	95	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-63.6	-32.9	178.4	-76.5	-68.6	0	0	0	112.9	M833 E837 D904 V905 Y908 E971 L972 V973	M833-F969 HydrophobicContact CB-CB 4.48Å; M833-F969 HydrophobicContact CB-CD1 3.39Å; M833-F969 HydrophobicContact CB-CD2 3.88Å; M833-F969 HydrophobicContact CB-CE1 3.36Å; M833-F969 HydrophobicContact CB-CE2 3.85Å; M833-F969 HydrophobicContact CB-CG 3.65Å; M833-F969 HydrophobicContact CB-CZ 3.59Å; M833-F969 HydrophobicContact CE-CE2 3.99Å; M833-F969 HydrophobicContact CE-CZ 3.88Å; M833-F969 HydrophobicContact CG-CD1 4.29Å; M833-F969 HydrophobicContact CG-CE1 3.79Å; M833-F969 HydrophobicContact CG-CZ 3.91Å; E837-F969 HydrophobicContact CB-CD2 4.44Å; E837-F969 WeakPolarHBondContact OE2-CB 3.47Å; E837-F969 PolarHBondContact OE2-N 2.81Å; E837-F969 VanDerWaalsContact OE2-N 3.15Å; D904-F969 HydrophobicContact CB-CE2 3.97Å; D904-F969 HydrophobicContact CB-CZ 3.98Å; V905-F969 HydrophobicContact CB-CZ 4.39Å; V905-F969 HydrophobicContact CG2-CD1 4.49Å; V905-F969 HydrophobicContact CG2-CD2 3.97Å; V905-F969 HydrophobicContact CG2-CE1 4.17Å; V905-F969 HydrophobicContact CG2-CE2 3.61Å; V905-F969 HydrophobicContact CG2-CG 4.4Å; V905-F969 HydrophobicContact CG2-CZ 3.72Å; Y908-F969 HydrophobicContact CD1-CE1 4.49Å; Y908-F969 HydrophobicContact CD2-CE1 4.04Å; Y908-F969 AromaticContact CG-CE1 3.83Å; Y908-F969 HydrophobicContact CG-CE1 3.83Å; F969-E971 VanDerWaalsContact C-N 3.28Å; F969-E971 PolarHBondContact O-N 3.17Å; F969-L972 HydrophobicContact CD1-CD1 3.91Å; F969-L972 HydrophobicContact CE1-CD1 4.2Å; F969-L972 PolarHBondContact O-N 2.88Å; F969-V973 VanDerWaalsContact O-CG2 3.3Å; F969-V973 WeakPolarHBondContact O-CG2 3.36Å; F969-V973 PolarHBondContact O-N 2.8Å
970	R	96.2	Very high	94.6	Very high	151 Å²	151	57.3 Å²	57.3	57%	0.57	28%	0.28	S	S	*	.	H	α-helix	trans	-58.9	-36.5	172.6	-66.9	179.4	174.3	-151.9	-0.4	113.1	S834 D838 R968 S974	S834-R970 VanDerWaalsContact OG-CG 3.32Å; S834-R970 WeakPolarHBondContact OG-CG 3.38Å; D838-R970 IonicContact OD1-CZ 2.64Å; D838-R970 VanDerWaalsContact OD1-CZ 3.31Å; D838-R970 IonicContact OD1-NE 3.65Å; D838-R970 PolarHBondContact OD1-NE 3.4Å; D838-R970 VanDerWaalsContact OD1-NE 3.12Å; D838-R970 IonicContact OD1-NH2 2.73Å; D838-R970 PolarHBondContact OD1-NH2 2.85Å; D838-R970 IonicContact OD2-NE 3.66Å; D838-R970 IonicContact OD2-NH2 3.65Å; D838-R970 PolarHBondContact OD2-NH2 2.98Å; R968-R970 VanDerWaalsContact C-N 3.26Å; R968-R970 PolarHBondContact O-N 3.33Å; R970-S974 PolarHBondContact O-N 2.68Å
971	E	96.9	Very high	94.4	Very high	103 Å²	103	62.7 Å²	62.7	48%	0.481	30%	0.296	S	S	.	.	H	α-helix	trans	-74.7	-42.2	178.1	-61.5	166.8	169.5	0	0	110.9	P967 R968 F969 V973 S974 E975	P967-E971 WeakPolarHBondContact CA-OE2 3.18Å; P967-E971 HydrophobicContact CB-CB 4.36Å; P967-E971 WeakPolarHBondContact CB-OE2 3.29Å; R968-E971 HydrophobicContact CB-CG 4.37Å; R968-E971 PolarHBondContact N-OE2 2.74Å; R968-E971 WeakPolarHBondContact O-CB 3.28Å; R968-E971 PolarHBondContact O-N 3.04Å; F969-E971 VanDerWaalsContact C-N 3.28Å; F969-E971 PolarHBondContact O-N 3.17Å; E971-V973 VanDerWaalsContact C-N 3.32Å; E971-V973 PolarHBondContact O-N 3.13Å; E971-S974 WeakPolarHBondContact O-CA 3.1Å; E971-S974 VanDerWaalsContact O-CB 3.32Å; E971-S974 WeakPolarHBondContact O-CB 3.35Å; E971-S974 PolarHBondContact O-N 2.91Å; E971-E975 PolarHBondContact O-N 3.48Å
972	L	97.7	Very high	94.3	Very high	3 Å²	3	62 Å²	62	2%	0.016	29%	0.293	C	S	.	.	H	α-helix	trans	-60.7	-40	173.1	-66.6	169.1	0	0	0	111.8	A830 V905 Y908 I954 P967 R968 F969 S974 E975 F976	A830-L972 HydrophobicContact CB-CB 4.33Å; V905-L972 HydrophobicContact CG1-CD1 4.23Å; V905-L972 HydrophobicContact CG2-CD1 4.43Å; Y908-L972 HydrophobicContact CD1-CD1 3.74Å; Y908-L972 HydrophobicContact CE1-CB 4.41Å; Y908-L972 HydrophobicContact CE1-CD1 3.89Å; Y908-L972 HydrophobicContact CE1-CD2 4.15Å; Y908-L972 HydrophobicContact CE1-CG 4.39Å; I954-L972 HydrophobicContact CG2-CD2 3.51Å; P967-L972 HydrophobicContact CB-CD2 4.36Å; P967-L972 HydrophobicContact CB-CG 4.31Å; P967-L972 HydrophobicContact CG-CD1 4.4Å; P967-L972 HydrophobicContact CG-CD2 3.81Å; P967-L972 HydrophobicContact CG-CG 4.09Å; R968-L972 PolarHBondContact O-N 2.92Å; R968-L972 VanDerWaalsContact O-N 3.08Å; F969-L972 HydrophobicContact CD1-CD1 3.91Å; F969-L972 HydrophobicContact CE1-CD1 4.2Å; F969-L972 PolarHBondContact O-N 2.88Å; L972-S974 VanDerWaalsContact C-N 3.3Å; L972-S974 PolarHBondContact O-N 2.83Å; L972-E975 PolarHBondContact O-N 2.9Å; L972-F976 HydrophobicContact CD2-CE2 4.46Å; L972-F976 WeakPolarHBondContact O-CD2 3.14Å; L972-F976 PolarHBondContact O-N 3.42Å
973	V	97.6	Very high	94.2	Very high	27 Å²	27	59.4 Å²	59.4	16%	0.164	28%	0.28	C	S	.	.	H	α-helix	trans	-58.8	-42.8	171.7	169	0	0	0	0	110.9	A830 K831 F969 E971 S977	A830-V973 HydrophobicContact CB-CG2 3.63Å; A830-V973 WeakPolarHBondContact O-CG2 3.34Å; K831-V973 HydrophobicContact CB-CG2 4.41Å; K831-V973 HydrophobicContact CG-CG1 3.87Å; K831-V973 HydrophobicContact CG-CG2 3.78Å; F969-V973 VanDerWaalsContact O-CG2 3.3Å; F969-V973 WeakPolarHBondContact O-CG2 3.36Å; F969-V973 PolarHBondContact O-N 2.8Å; E971-V973 VanDerWaalsContact C-N 3.32Å; E971-V973 PolarHBondContact O-N 3.13Å; V973-S977 WeakPolarHBondContact O-CB 3.41Å; V973-S977 PolarHBondContact O-N 3.08Å; V973-S977 PolarHBondContact O-OG 2.9Å
974	S	95.8	Very high	93.9	Very high	78 Å²	78	64.4 Å²	64.4	55%	0.545	30%	0.302	S	S	.	.	H	α-helix	trans	-62.4	-51.6	177.6	-167.8	0	0	0	0	111.8	R970 E971 L972 S977 R978	R970-S974 PolarHBondContact O-N 2.68Å; E971-S974 WeakPolarHBondContact O-CA 3.1Å; E971-S974 VanDerWaalsContact O-CB 3.32Å; E971-S974 WeakPolarHBondContact O-CB 3.35Å; E971-S974 PolarHBondContact O-N 2.91Å; L972-S974 VanDerWaalsContact C-N 3.3Å; L972-S974 PolarHBondContact O-N 2.83Å; S974-S977 CarbonylContact O-C 3.52Å; S974-S977 PolarHBondContact O-N 2.94Å; S974-R978 WeakPolarHBondContact O-CB 3.31Å; S974-R978 PolarHBondContact O-N 2.71Å
975	E	95.8	Very high	94	Very high	70 Å²	70	63.8 Å²	63.8	33%	0.327	29%	0.292	S	S	.	.	H	α-helix	trans	-64	-47.2	-178.4	-74	-61.2	159.6	0	0	113	I954 E971 L972 S977 R978 M979	I954-E975 HydrophobicContact CD1-CB 3.74Å; I954-E975 HydrophobicContact CD1-CG 4.22Å; E971-E975 PolarHBondContact O-N 3.48Å; L972-E975 PolarHBondContact O-N 2.9Å; E975-S977 VanDerWaalsContact C-N 3.34Å; E975-S977 PolarHBondContact O-N 2.79Å; E975-R978 WeakPolarHBondContact O-CB 3.21Å; E975-R978 PolarHBondContact O-N 3.2Å; E975-R978 VanDerWaalsContact O-N 3.1Å; E975-R978 IonicContact OE2-CZ 3.38Å; E975-R978 IonicContact OE2-NE 2.71Å; E975-R978 PolarHBondContact OE2-NE 2.77Å; E975-R978 IonicContact OE2-NH2 3.66Å; E975-R978 PolarHBondContact OE2-NH2 3.03Å; E975-M979 WeakPolarHBondContact O-CG 3.11Å; E975-M979 PolarHBondContact O-N 3.18Å
976	F	95.9	Very high	94	Very high	1 Å²	1	61.6 Å²	61.6	0%	0.004	28%	0.277	C	S	.	.	H	α-helix	trans	-69.4	-30.9	176.6	-76.5	-76.9	0	0	0	112.4	L823 C826 M827 Y908 V912 I954 L972 R978 M979 A980	L823-F976 HydrophobicContact CD2-CD1 3.81Å; L823-F976 HydrophobicContact CD2-CE1 3.93Å; C826-F976 HydrophobicContact CB-CD1 3.44Å; C826-F976 VanDerWaalsContact CB-CD1 3.44Å; C826-F976 HydrophobicContact CB-CD2 4.45Å; C826-F976 HydrophobicContact CB-CE1 3.63Å; C826-F976 HydrophobicContact CB-CG 3.9Å; C826-F976 HydrophobicContact CB-CZ 4.23Å; M827-F976 HydrophobicContact CB-CB 4.02Å; Y908-F976 HydrophobicContact CE1-CD2 4.42Å; Y908-F976 AromaticContact CE1-CE2 3.84Å; Y908-F976 HydrophobicContact CE1-CE2 3.84Å; Y908-F976 AromaticContact CZ-CE2 3.95Å; Y908-F976 WeakPolarHBondContact OH-CD2 3.5Å; Y908-F976 WeakPolarHBondContact OH-CE2 3.32Å; V912-F976 HydrophobicContact CG1-CE1 4.34Å; V912-F976 HydrophobicContact CG1-CZ 3.96Å; V912-F976 HydrophobicContact CG2-CE2 4.49Å; V912-F976 HydrophobicContact CG2-CZ 4.15Å; I954-F976 HydrophobicContact CD1-CE2 4.46Å; I954-F976 HydrophobicContact CG2-CE2 3.84Å; I954-F976 HydrophobicContact CG2-CZ 4.21Å; L972-F976 HydrophobicContact CD2-CE2 4.46Å; L972-F976 WeakPolarHBondContact O-CD2 3.14Å; L972-F976 PolarHBondContact O-N 3.42Å; F976-R978 VanDerWaalsContact C-N 3.27Å; F976-R978 PolarHBondContact O-N 2.88Å; F976-M979 PolarHBondContact O-N 2.91Å; F976-A980 WeakPolarHBondContact O-CB 3.25Å; F976-A980 PolarHBondContact O-N 3.29Å
977	S	94.5	Very high	93.7	Very high	24 Å²	24	61.3 Å²	61.3	17%	0.168	28%	0.276	C	S	.	.	H	α-helix	trans	-70.8	-19.6	170.6	-58.5	0	0	0	0	113.6	M827 V973 S974 E975 R981	M827-S977 PolarHBondContact SD-OG 2.92Å; M827-S977 VanDerWaalsContact SD-OG 3.39Å; V973-S977 WeakPolarHBondContact O-CB 3.41Å; V973-S977 PolarHBondContact O-N 3.08Å; V973-S977 PolarHBondContact O-OG 2.9Å; S974-S977 CarbonylContact O-C 3.52Å; S974-S977 PolarHBondContact O-N 2.94Å; E975-S977 VanDerWaalsContact C-N 3.34Å; E975-S977 PolarHBondContact O-N 2.79Å; S977-R981 WeakPolarHBondContact O-CG 3.49Å; S977-R981 PolarHBondContact O-NE 3.06Å; S977-R981 VanDerWaalsContact O-NE 3.07Å
978	R	94.6	Very high	93.3	Very high	104 Å²	104	64.4 Å²	64.4	39%	0.392	29%	0.294	S	S	.	.	H	α-helix	trans	-81.1	-47.2	171.3	-177	-173.5	65.5	73.2	-2.8	110.4	S974 E975 F976 R981 F986	S974-R978 WeakPolarHBondContact O-CB 3.31Å; S974-R978 PolarHBondContact O-N 2.71Å; E975-R978 WeakPolarHBondContact O-CB 3.21Å; E975-R978 PolarHBondContact O-N 3.2Å; E975-R978 VanDerWaalsContact O-N 3.1Å; E975-R978 IonicContact OE2-CZ 3.38Å; E975-R978 IonicContact OE2-NE 2.71Å; E975-R978 PolarHBondContact OE2-NE 2.77Å; E975-R978 IonicContact OE2-NH2 3.66Å; E975-R978 PolarHBondContact OE2-NH2 3.03Å; F976-R978 VanDerWaalsContact C-N 3.27Å; F976-R978 PolarHBondContact O-N 2.88Å; R978-R981 WeakPolarHBondContact O-CB 3.49Å; R978-R981 PolarHBondContact O-N 3.1Å; R978-F986 VanDerWaalsContact NH1-CZ 3.32Å
979	M	93.9	Very high	92.7	Very high	1 Å²	1	59.5 Å²	59.5	1%	0.005	28%	0.278	C	S	.	.	H	α-helix	trans	-65.9	-40.1	179.2	-67.8	179.4	171.3	0	0	112.6	L823 D950 V951 I954 E975 F976 R981 D982 F986	L823-M979 HydrophobicContact CD1-CB 4.29Å; L823-M979 HydrophobicContact CD2-CB 4.15Å; D950-M979 HydrophobicContact CB-CE 3.93Å; V951-M979 HydrophobicContact CG2-CE 4.26Å; V951-M979 HydrophobicContact CG2-SD 3.93Å; I954-M979 HydrophobicContact CD1-CE 3.46Å; I954-M979 VanDerWaalsContact CD1-CE 3.46Å; I954-M979 HydrophobicContact CD1-SD 3.97Å; I954-M979 HydrophobicContact CG1-CE 4.49Å; E975-M979 WeakPolarHBondContact O-CG 3.11Å; E975-M979 PolarHBondContact O-N 3.18Å; F976-M979 PolarHBondContact O-N 2.91Å; M979-R981 PolarHBondContact O-N 2.8Å; M979-D982 CarbonylContact O-C 3.53Å; M979-D982 VanDerWaalsContact O-C 3.3Å; M979-D982 PolarHBondContact O-N 3.22Å; M979-F986 HydrophobicContact CB-CB 4.37Å; M979-F986 HydrophobicContact CB-CD2 3.66Å; M979-F986 HydrophobicContact CB-CE2 4.19Å; M979-F986 HydrophobicContact CB-CG 3.99Å; M979-F986 HydrophobicContact CE-CD1 3.95Å; M979-F986 HydrophobicContact CE-CE1 4.31Å; M979-F986 HydrophobicContact CE-CG 4.47Å; M979-F986 HydrophobicContact CG-CB 4.33Å; M979-F986 HydrophobicContact CG-CD1 3.96Å; M979-F986 HydrophobicContact CG-CD2 3.71Å; M979-F986 HydrophobicContact CG-CE1 4.25Å; M979-F986 HydrophobicContact CG-CE2 4.03Å; M979-F986 HydrophobicContact CG-CG 3.7Å; M979-F986 HydrophobicContact CG-CZ 4.3Å; M979-F986 HydrophobicContact SD-CB 4.38Å; M979-F986 HydrophobicContact SD-CD1 4.28Å; M979-F986 HydrophobicContact SD-CG 4.2Å
980	A	89.5	Confident	91.2	Very high	11 Å²	11	68.5 Å²	68.5	9%	0.091	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.3	0.1	178.6	0	0	0	0	0	114.9	Q820 L823 F976	Q820-A980 PolarHBondContact NE2-O 2.68Å; Q820-A980 PolarHBondContact OE1-O 3.45Å; L823-A980 HydrophobicContact CB-CB 4.18Å; F976-A980 WeakPolarHBondContact O-CB 3.25Å; F976-A980 PolarHBondContact O-N 3.29Å
981	R	90.2	Very high	89.6	Confident	188 Å²	188	66.6 Å²	66.6	71%	0.709	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.9	-16.7	171.8	-61.5	171.2	-172.5	-165.8	-2.8	113.6	S977 R978 M979	S977-R981 WeakPolarHBondContact O-CG 3.49Å; S977-R981 PolarHBondContact O-NE 3.06Å; S977-R981 VanDerWaalsContact O-NE 3.07Å; R978-R981 WeakPolarHBondContact O-CB 3.49Å; R978-R981 PolarHBondContact O-N 3.1Å; M979-R981 PolarHBondContact O-N 2.8Å
982	D	89.7	Confident	87.7	Confident	72 Å²	72	64.8 Å²	64.8	39%	0.385	31%	0.312	S	S	.	.	S	Bend	trans	-148.7	61.9	-176.1	178.4	17.6	0	0	0	108.1	M979 Q984 R985 F986	M979-D982 CarbonylContact O-C 3.53Å; M979-D982 VanDerWaalsContact O-C 3.3Å; M979-D982 PolarHBondContact O-N 3.22Å; D982-Q984 PolarHBondContact O-N 2.86Å; D982-R985 WeakPolarHBondContact O-CB 3.45Å; D982-R985 PolarHBondContact O-N 3.44Å; D982-R985 WeakPolarHBondContact OD2-CB 3.42Å; D982-R985 WeakPolarHBondContact OD2-CD 3.02Å; D982-F986 HydrophobicContact CB-CE2 4.34Å; D982-F986 WeakPolarHBondContact O-CD2 3.47Å
983	P	88.8	Confident	85.4	Confident	18 Å²	18	72.7 Å²	72.7	12%	0.117	35%	0.354	C	S	.	.	H	α-helix	trans	-70.3	-35.3	-160	29.1	-37.2	0	0	0	113.1	S819 Q820 L823 R985 F986 V987	S819-P983 WeakPolarHBondContact OG-CB 3.35Å; Q820-P983 HydrophobicContact CB-CB 4.33Å; Q820-P983 HydrophobicContact CB-CG 3.99Å; L823-P983 HydrophobicContact CD1-CB 3.64Å; P983-R985 PolarHBondContact O-N 3.43Å; P983-F986 PolarHBondContact O-N 2.81Å; P983-V987 PolarHBondContact O-N 3.23Å
984	Q	86	Confident	83.2	Confident	128 Å²	128	76.1 Å²	76.1	60%	0.598	37%	0.372	S	S	*	.	H	α-helix	trans	-59.4	-30.5	178.7	-69.6	179.4	-23.2	0	0	113.1	D982 F986 E992	D982-Q984 PolarHBondContact O-N 2.86Å; Q984-F986 VanDerWaalsContact C-N 3.27Å; Q984-F986 PolarHBondContact O-N 3Å; Q984-E992 VanDerWaalsContact CG-OE2 3.28Å; Q984-E992 WeakPolarHBondContact CG-OE2 3.43Å; Q984-E992 PolarHBondContact NE2-OE2 3.43Å
985	R	90.9	Very high	80.8	Confident	154 Å²	154	75 Å²	75	58%	0.581	37%	0.373	S	S	*	.	H	α-helix	trans	-66.9	-28.2	175.4	176.3	178.1	172.8	166.5	1.4	112.8	T948 D982 P983	T948-R985 WeakPolarHBondContact CG2-O 3.31Å; D982-R985 WeakPolarHBondContact O-CB 3.45Å; D982-R985 PolarHBondContact O-N 3.44Å; D982-R985 WeakPolarHBondContact OD2-CB 3.42Å; D982-R985 WeakPolarHBondContact OD2-CD 3.02Å; P983-R985 PolarHBondContact O-N 3.43Å
986	F	92.8	Very high	78.4	Confident	3 Å²	3	77.8 Å²	77.8	1%	0.013	40%	0.397	C	S	.	.	H	α-helix	trans	-106.8	-28.7	-172.4	-60.9	-68.6	0	0	0	113	L823 T948 D950 V951 R978 M979 D982 P983 Q984	L823-F986 HydrophobicContact CD1-CB 4.28Å; T948-F986 PolarHBondContact N-O 3.39Å; T948-F986 PolarHBondContact OG1-O 2.82Å; D950-F986 HydrophobicContact CB-CD1 3.95Å; D950-F986 HydrophobicContact CB-CE1 4.16Å; D950-F986 WeakPolarHBondContact OD2-CE1 3.29Å; V951-F986 HydrophobicContact CG2-CB 3.73Å; V951-F986 VanDerWaalsContact CG2-O 3.29Å; V951-F986 WeakPolarHBondContact CG2-O 3.34Å; R978-F986 VanDerWaalsContact NH1-CZ 3.32Å; M979-F986 HydrophobicContact CB-CB 4.37Å; M979-F986 HydrophobicContact CB-CD2 3.66Å; M979-F986 HydrophobicContact CB-CE2 4.19Å; M979-F986 HydrophobicContact CB-CG 3.99Å; M979-F986 HydrophobicContact CE-CD1 3.95Å; M979-F986 HydrophobicContact CE-CE1 4.31Å; M979-F986 HydrophobicContact CE-CG 4.47Å; M979-F986 HydrophobicContact CG-CB 4.33Å; M979-F986 HydrophobicContact CG-CD1 3.96Å; M979-F986 HydrophobicContact CG-CD2 3.71Å; M979-F986 HydrophobicContact CG-CE1 4.25Å; M979-F986 HydrophobicContact CG-CE2 4.03Å; M979-F986 HydrophobicContact CG-CG 3.7Å; M979-F986 HydrophobicContact CG-CZ 4.3Å; M979-F986 HydrophobicContact SD-CB 4.38Å; M979-F986 HydrophobicContact SD-CD1 4.28Å; M979-F986 HydrophobicContact SD-CG 4.2Å; D982-F986 HydrophobicContact CB-CE2 4.34Å; D982-F986 WeakPolarHBondContact O-CD2 3.47Å; P983-F986 PolarHBondContact O-N 2.81Å; Q984-F986 VanDerWaalsContact C-N 3.27Å; Q984-F986 PolarHBondContact O-N 3Å
987	V	91.4	Very high	76.1	Confident	0 Å²	0	79.5 Å²	79.5	0%	0	41%	0.411	C	S	.	.	B	Isolated β-bridge	trans	-134	120.8	178.8	179.9	0	0	0	0	109.6	S819 L822 L823 M916 I946 V951 P983 I989	S819-V987 VanDerWaalsContact CB-O 3.23Å; S819-V987 WeakPolarHBondContact CB-O 3.47Å; L822-V987 HydrophobicContact CD1-CG1 4.27Å; L823-V987 HydrophobicContact CD1-CB 4.49Å; L823-V987 HydrophobicContact CD1-CG2 3.99Å; L823-V987 HydrophobicContact CD2-CG2 4.09Å; L823-V987 HydrophobicContact CG-CG2 4Å; M916-V987 HydrophobicContact CE-CG2 3.85Å; M916-V987 HydrophobicContact SD-CG1 4.24Å; M916-V987 HydrophobicContact SD-CG2 3.75Å; I946-V987 HydrophobicContact CB-CG1 4.19Å; I946-V987 HydrophobicContact CD1-CG1 3.75Å; I946-V987 HydrophobicContact CG1-CG1 4.1Å; I946-V987 CarbonylContact O-C 3.53Å; I946-V987 VanDerWaalsContact O-CA 3.29Å; I946-V987 WeakPolarHBondContact O-CA 3.48Å; V951-V987 HydrophobicContact CG2-CG2 4.37Å; P983-V987 PolarHBondContact O-N 3.23Å; V987-I989 HydrophobicContact CG1-CD1 4.31Å; V987-I989 HydrophobicContact CG1-CG1 4.14Å
988	V	87.4	Confident	73.8	Confident	84 Å²	84	81.1 Å²	81.1	51%	0.509	42%	0.422	S	S	.	.			trans	-104.9	111.3	-175	-177.4	0	0	0	0	110.1	I946	I946-V988 WeakPolarHBondContact CB-O 3.44Å; I946-V988 WeakPolarHBondContact CG2-O 3.47Å; I946-V988 PolarHBondContact O-N 2.68Å
989	I	83.4	Confident	71.5	Confident	30 Å²	30	78.8 Å²	78.8	15%	0.154	42%	0.421	C	S	.	.			trans	-119.7	131.8	176.3	-57.1	-178.4	0	0	0	108.5	L817 L822 F918 I946 V987 N991 E992	L817-I989 VanDerWaalsContact O-CD1 3.29Å; L817-I989 WeakPolarHBondContact O-CD1 3.47Å; L822-I989 HydrophobicContact CD1-CD1 4Å; F918-I989 HydrophobicContact CZ-CD1 4.1Å; I946-I989 HydrophobicContact CD1-CG1 4.5Å; V987-I989 HydrophobicContact CG1-CD1 4.31Å; V987-I989 HydrophobicContact CG1-CG1 4.14Å; I989-N991 VanDerWaalsContact C-N 3.3Å; I989-N991 PolarHBondContact O-N 2.87Å; I989-E992 HydrophobicContact CB-CG 4.23Å
990	Q	67.2	Low	69.5	Low	189 Å²	189	83.6 Å²	83.6	88%	0.883	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.3	0.1	-168.1	-65.9	179.1	-12.5	0	0	115
991	N	61.2	Low	67.7	Low	110 Å²	110	85.7 Å²	85.7	59%	0.588	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	-139.1	46.3	-169.7	-66.5	-32.5	0	0	0	112.9	I989 D993	I989-N991 VanDerWaalsContact C-N 3.3Å; I989-N991 PolarHBondContact O-N 2.87Å; N991-D993 VanDerWaalsContact C-N 3.28Å; N991-D993 PolarHBondContact O-N 3.5Å
992	E	57.1	Low	66.1	Low	65 Å²	65	77 Å²	77	30%	0.304	42%	0.423	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-7.6	-175.8	-65.7	-163.3	138.5	0	0	115.3	S819 Q984 I989 L994	S819-E992 WeakPolarHBondContact CB-OE1 3.32Å; S819-E992 PolarHBondContact N-OE1 2.86Å; S819-E992 PolarHBondContact OG-OE1 2.86Å; Q984-E992 VanDerWaalsContact CG-OE2 3.28Å; Q984-E992 WeakPolarHBondContact CG-OE2 3.43Å; Q984-E992 PolarHBondContact NE2-OE2 3.43Å; I989-E992 HydrophobicContact CB-CG 4.23Å; E992-L994 PolarHBondContact O-N 3.34Å
993	D	50.8	Low	64.7	Low	169 Å²	169	77.5 Å²	77.5	90%	0.904	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.8	2.1	-177.7	-67.4	-50.8	0	0	0	115.3	N991	N991-D993 VanDerWaalsContact C-N 3.28Å; N991-D993 PolarHBondContact O-N 3.5Å
994	L	50.1	Low	63.4	Low	100 Å²	100	79.1 Å²	79.1	52%	0.524	43%	0.434	S	S	.	.	S	Bend	trans	-91.6	113.1	175.2	-75.7	92.7	0	0	0	111.2	E992	E992-L994 PolarHBondContact O-N 3.34Å
995	G	44.7	Very low	62.2	Low	55 Å²	55	75.6 Å²	75.6	57%	0.567	42%	0.416	S	S	*	.	P	Polyproline II helix	trans	-60.9	165.5	-177.4	0	0	0	0	0	115.7
996	P	47	Very low	60.8	Low	128 Å²	128	73.4 Å²	73.4	83%	0.831	41%	0.408	S	S	*	.	P	Polyproline II helix	trans	-59.9	140.5	-164.8	23.4	-35	0	0	0	113.7	S998	P996-S998 PolarHBondContact O-N 3.11Å
997	A	46.9	Very low	59.4	Low	37 Å²	37	74.7 Å²	74.7	31%	0.306	42%	0.417	S	S	.	.	P	Polyproline II helix	trans	-58.3	133.5	-174.7	0	0	0	0	0	113.2
998	S	45.3	Very low	57.9	Low	58 Å²	58	75.1 Å²	75.1	41%	0.406	42%	0.419	S	S	.	.	P	Polyproline II helix	trans	-66.1	139.7	168.2	-179	0	0	0	0	110.2	P996 L1000 D1001	P996-S998 PolarHBondContact O-N 3.11Å; S998-L1000 PolarHBondContact O-N 3.18Å; S998-L1000 VanDerWaalsContact O-N 3.08Å; S998-L1000 PolarHBondContact OG-N 3.08Å; S998-D1001 PolarHBondContact O-N 2.96Å
999	P	47.9	Very low	56.5	Low	55 Å²	55	75.5 Å²	75.5	36%	0.357	42%	0.418	S	S	.	.	G	3₁₀ helix	trans	-50.5	-35	173.1	-29.2	36.3	0	0	0	113.2	Y803 D1001 Y1005	Y803-P999 WeakPolarHBondContact OH-CB 3.35Å; P999-D1001 PolarHBondContact O-N 2.91Å; P999-Y1005 HydrophobicContact CB-CD1 4.36Å; P999-Y1005 HydrophobicContact CB-CE1 3.73Å; P999-Y1005 WeakPolarHBondContact O-CD1 3.44Å
1000	L	50.7	Low	55.4	Low	101 Å²	101	81.2 Å²	81.2	53%	0.529	44%	0.444	S	S	.	.	G	3₁₀ helix	trans	-69.7	4	-176.4	-66.7	169.5	0	0	0	115.1	S998 R1006 L1009	S998-L1000 PolarHBondContact O-N 3.18Å; S998-L1000 VanDerWaalsContact O-N 3.08Å; S998-L1000 PolarHBondContact OG-N 3.08Å; L1000-R1006 VanDerWaalsContact O-CZ 3.24Å; L1000-R1006 PolarHBondContact O-NE 3.15Å; L1000-R1006 PolarHBondContact O-NH2 2.9Å; L1000-R1006 VanDerWaalsContact O-NH2 3.12Å; L1000-L1009 HydrophobicContact CD2-CD1 3.98Å
1001	D	51.8	Low	55	Low	55 Å²	55	74.7 Å²	74.7	29%	0.294	42%	0.415	S	S	.	.	G	3₁₀ helix	trans	-103.1	-21.7	-175.5	-85.7	-28.4	0	0	0	117.4	R816 S998 P999 R1006	R816-D1001 IonicContact CZ-OD2 3.45Å; R816-D1001 IonicContact NH1-OD2 3.72Å; R816-D1001 PolarHBondContact NH1-OD2 2.94Å; R816-D1001 IonicContact NH2-OD2 2.68Å; R816-D1001 PolarHBondContact NH2-OD2 3.08Å; S998-D1001 PolarHBondContact O-N 2.96Å; P999-D1001 PolarHBondContact O-N 2.91Å; D1001-R1006 IonicContact OD1-NH2 3.81Å; D1001-R1006 PolarHBondContact OD1-NH2 2.88Å
1002	S	56.2	Low	54.6	Low	5 Å²	5	78 Å²	78	4%	0.035	43%	0.433	C	S	.	.			trans	-70.2	135.4	172.7	175.6	0	0	0	0	110.5	E812 F1004 Y1005 R1006	E812-S1002 WeakPolarHBondContact OE2-CA 3.37Å; E812-S1002 WeakPolarHBondContact OE2-CB 3.4Å; E812-S1002 PolarHBondContact OE2-OG 2.93Å; S1002-F1004 VanDerWaalsContact C-N 3.28Å; S1002-F1004 PolarHBondContact O-N 3.03Å; S1002-Y1005 PolarHBondContact O-N 2.87Å; S1002-R1006 PolarHBondContact O-N 2.64Å; S1002-R1006 VanDerWaalsContact O-N 3.08Å
1003	T	60	Low	54.5	Low	83 Å²	83	78.2 Å²	78.2	51%	0.509	44%	0.436	S	S	.	.	H	α-helix	trans	-65.9	-38.2	-178.5	72.6	0	0	0	0	110.9	E812 R1006 S1007	E812-T1003 VanDerWaalsContact OE1-CB 3.28Å; E812-T1003 WeakPolarHBondContact OE1-CB 3.39Å; E812-T1003 VanDerWaalsContact OE1-CG2 3.28Å; E812-T1003 WeakPolarHBondContact OE1-CG2 3.42Å; E812-T1003 PolarHBondContact OE1-N 3.41Å; E812-T1003 PolarHBondContact OE1-OG1 3.29Å; T1003-R1006 PolarHBondContact O-N 3.28Å; T1003-S1007 WeakPolarHBondContact O-CB 3.31Å; T1003-S1007 PolarHBondContact O-N 3.39Å; T1003-S1007 VanDerWaalsContact O-N 3.08Å
1004	F	61.9	Low	54.6	Low	53 Å²	53	72.3 Å²	72.3	23%	0.232	40%	0.404	C	S	.	.	H	α-helix	trans	-59	-49.9	173.4	-172.3	-102.7	0	0	0	111.1	L726 P802 S1002 R1006 S1007 L1008	L726-F1004 HydrophobicContact CD2-CE2 3.88Å; L726-F1004 HydrophobicContact CD2-CZ 3.85Å; P802-F1004 WeakPolarHBondContact O-CD1 3.33Å; S1002-F1004 VanDerWaalsContact C-N 3.28Å; S1002-F1004 PolarHBondContact O-N 3.03Å; F1004-R1006 PolarHBondContact O-N 2.92Å; F1004-S1007 CarbonylContact O-C 3.56Å; F1004-S1007 WeakPolarHBondContact O-CA 3.26Å; F1004-S1007 PolarHBondContact O-N 3.43Å; F1004-S1007 VanDerWaalsContact O-N 3.1Å; F1004-S1007 PolarHBondContact O-OG 3.08Å; F1004-L1008 HydrophobicContact CD1-CD1 3.96Å; F1004-L1008 HydrophobicContact CD1-CG 4.45Å; F1004-L1008 HydrophobicContact CE1-CD1 3.68Å; F1004-L1008 HydrophobicContact CE1-CG 4.32Å; F1004-L1008 HydrophobicContact CZ-CD1 4.42Å; F1004-L1008 WeakPolarHBondContact O-CG 3.42Å; F1004-L1008 PolarHBondContact O-N 3.23Å; F1004-L1008 VanDerWaalsContact O-N 3.08Å
1005	Y	60.7	Low	54.6	Low	53 Å²	53	71.2 Å²	71.2	21%	0.208	42%	0.416	C	S	.	.	H	α-helix	trans	-60.9	-44.3	-179.8	-168.8	-93.9	0	0	0	112.8	P802 Y803 P999 S1002 S1007 L1008 L1009	P802-Y1005 HydrophobicContact CB-CD2 3.85Å; P802-Y1005 HydrophobicContact CB-CE2 3.91Å; P802-Y1005 HydrophobicContact CG-CD2 4.49Å; P802-Y1005 HydrophobicContact CG-CE2 4.3Å; P802-Y1005 WeakPolarHBondContact O-CD2 3.29Å; Y803-Y1005 HydrophobicContact CE1-CD2 4.23Å; Y803-Y1005 HydrophobicContact CE2-CD2 4.38Å; Y803-Y1005 HydrophobicContact CE2-CE2 4.36Å; P999-Y1005 HydrophobicContact CB-CD1 4.36Å; P999-Y1005 HydrophobicContact CB-CE1 3.73Å; P999-Y1005 WeakPolarHBondContact O-CD1 3.44Å; S1002-Y1005 PolarHBondContact O-N 2.87Å; Y1005-S1007 VanDerWaalsContact C-N 3.32Å; Y1005-S1007 PolarHBondContact O-N 2.98Å; Y1005-L1008 WeakPolarHBondContact O-CB 3.24Å; Y1005-L1008 PolarHBondContact O-N 3.02Å; Y1005-L1008 VanDerWaalsContact O-N 3.1Å; Y1005-L1009 HydrophobicContact CD1-CD1 3.85Å; Y1005-L1009 HydrophobicContact CD1-CG 4.36Å; Y1005-L1009 HydrophobicContact CE1-CD1 3.52Å; Y1005-L1009 HydrophobicContact CE1-CG 4.15Å; Y1005-L1009 PolarHBondContact O-N 3.27Å
1006	R	61.8	Low	55.2	Low	109 Å²	109	75.3 Å²	75.3	41%	0.411	43%	0.425	S	S	.	.	H	α-helix	trans	-56.8	-47.6	172.3	-67.2	-172	-167.1	119.8	1.7	111.1	L1000 D1001 S1002 T1003 F1004 L1008 L1009 E1010	L1000-R1006 VanDerWaalsContact O-CZ 3.24Å; L1000-R1006 PolarHBondContact O-NE 3.15Å; L1000-R1006 PolarHBondContact O-NH2 2.9Å; L1000-R1006 VanDerWaalsContact O-NH2 3.12Å; D1001-R1006 IonicContact OD1-NH2 3.81Å; D1001-R1006 PolarHBondContact OD1-NH2 2.88Å; S1002-R1006 PolarHBondContact O-N 2.64Å; S1002-R1006 VanDerWaalsContact O-N 3.08Å; T1003-R1006 PolarHBondContact O-N 3.28Å; F1004-R1006 PolarHBondContact O-N 2.92Å; R1006-L1008 PolarHBondContact O-N 3.4Å; R1006-L1008 VanDerWaalsContact O-N 3.08Å; R1006-L1009 PolarHBondContact O-N 3.39Å; R1006-E1010 PolarHBondContact O-N 3.37Å
1007	S	64.4	Low	56	Low	30 Å²	30	71.9 Å²	71.9	21%	0.21	40%	0.399	C	S	.	.	H	α-helix	trans	-66.7	-9.5	179.7	91.7	0	0	0	0	114.5	K724 T1003 F1004 Y1005	K724-S1007 PolarHBondContact NZ-O 3.42Å; T1003-S1007 WeakPolarHBondContact O-CB 3.31Å; T1003-S1007 PolarHBondContact O-N 3.39Å; T1003-S1007 VanDerWaalsContact O-N 3.08Å; F1004-S1007 CarbonylContact O-C 3.56Å; F1004-S1007 WeakPolarHBondContact O-CA 3.26Å; F1004-S1007 PolarHBondContact O-N 3.43Å; F1004-S1007 VanDerWaalsContact O-N 3.1Å; F1004-S1007 PolarHBondContact O-OG 3.08Å; Y1005-S1007 VanDerWaalsContact C-N 3.32Å; Y1005-S1007 PolarHBondContact O-N 2.98Å
1008	L	59.2	Low	56.7	Low	9 Å²	9	72.3 Å²	72.3	5%	0.047	40%	0.398	C	S	.	.	H	α-helix	trans	-91.2	-22.5	170.4	-68.8	179.1	0	0	0	113.1	L726 K736 L800 P802 F1004 Y1005 R1006	L726-L1008 HydrophobicContact CD2-CD2 3.88Å; K736-L1008 HydrophobicContact CD-CD2 3.84Å; K736-L1008 HydrophobicContact CG-CD2 4.31Å; K736-L1008 PolarHBondContact NZ-O 3.23Å; L800-L1008 HydrophobicContact CD2-CD1 4.45Å; L800-L1008 HydrophobicContact CD2-CD2 4.42Å; P802-L1008 HydrophobicContact CB-CD1 3.99Å; F1004-L1008 HydrophobicContact CD1-CD1 3.96Å; F1004-L1008 HydrophobicContact CD1-CG 4.45Å; F1004-L1008 HydrophobicContact CE1-CD1 3.68Å; F1004-L1008 HydrophobicContact CE1-CG 4.32Å; F1004-L1008 HydrophobicContact CZ-CD1 4.42Å; F1004-L1008 WeakPolarHBondContact O-CG 3.42Å; F1004-L1008 PolarHBondContact O-N 3.23Å; F1004-L1008 VanDerWaalsContact O-N 3.08Å; Y1005-L1008 WeakPolarHBondContact O-CB 3.24Å; Y1005-L1008 PolarHBondContact O-N 3.02Å; Y1005-L1008 VanDerWaalsContact O-N 3.1Å; R1006-L1008 PolarHBondContact O-N 3.4Å; R1006-L1008 VanDerWaalsContact O-N 3.08Å
1009	L	58.3	Low	57.9	Low	91 Å²	91	71.9 Å²	71.9	48%	0.476	39%	0.392	S	S	.	.	H	α-helix	trans	-89.5	-16.5	-177.8	-70.5	178.7	0	0	0	114.2	L1000 Y1005 R1006 D1011	L1000-L1009 HydrophobicContact CD2-CD1 3.98Å; Y1005-L1009 HydrophobicContact CD1-CD1 3.85Å; Y1005-L1009 HydrophobicContact CD1-CG 4.36Å; Y1005-L1009 HydrophobicContact CE1-CD1 3.52Å; Y1005-L1009 HydrophobicContact CE1-CG 4.15Å; Y1005-L1009 PolarHBondContact O-N 3.27Å; R1006-L1009 PolarHBondContact O-N 3.39Å; L1009-D1011 PolarHBondContact O-N 3.34Å
1010	E	60.4	Low	58.9	Low	150 Å²	150	69.4 Å²	69.4	70%	0.701	38%	0.375	S	S	*	.			trans	-71.4	13.4	-176.6	-69.5	168.6	155.9	0	0	115.3	R1006	R1006-E1010 PolarHBondContact O-N 3.37Å
1011	D	58.2	Low	59.6	Low	53 Å²	53	67.8 Å²	67.8	28%	0.283	37%	0.365	S	S	.	.			trans	-113.3	120.1	178	-66.1	-52.9	0	0	0	110.5	K736 L1009 D1013 M1014	K736-D1011 IonicContact NZ-OD2 3.68Å; K736-D1011 PolarHBondContact NZ-OD2 3.27Å; L1009-D1011 PolarHBondContact O-N 3.34Å; D1011-D1013 VanDerWaalsContact C-N 3.27Å; D1011-D1013 PolarHBondContact O-N 3.43Å; D1011-D1013 VanDerWaalsContact O-N 3.1Å; D1011-M1014 HydrophobicContact CB-CG 4.19Å; D1011-M1014 WeakPolarHBondContact O-CG 3.43Å
1012	D	52.9	Low	60.3	Low	180 Å²	180	69.8 Å²	69.8	96%	0.963	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	-13.2	-171.7	-77.3	-50.8	0	0	0	116.6	M1014	D1012-M1014 VanDerWaalsContact C-N 3.3Å; D1012-M1014 PolarHBondContact O-N 3.05Å
1013	D	54.7	Low	60.8	Low	68 Å²	68	71.4 Å²	71.4	36%	0.364	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.5	24.7	-168.4	-164	16.6	0	0	0	114.4	R721 K747 D1011	R721-D1013 IonicContact CZ-OD2 3.95Å; R721-D1013 IonicContact NH1-OD2 3.58Å; R721-D1013 PolarHBondContact NH1-OD2 3.17Å; R721-D1013 IonicContact NH2-OD2 2.8Å; R721-D1013 PolarHBondContact NH2-OD2 3.21Å; K747-D1013 PolarHBondContact NZ-O 3.21Å; K747-D1013 IonicContact NZ-OD1 3.51Å; K747-D1013 PolarHBondContact NZ-OD1 3.07Å; K747-D1013 IonicContact NZ-OD2 2.65Å; D1011-D1013 VanDerWaalsContact C-N 3.27Å; D1011-D1013 PolarHBondContact O-N 3.43Å; D1011-D1013 VanDerWaalsContact O-N 3.1Å
1014	M	53.9	Low	61	Low	46 Å²	46	69.5 Å²	69.5	23%	0.227	37%	0.365	C	S	.	.			trans	-113.7	10.9	-160.9	-57.9	-76.7	-73.6	0	0	114.7	I738 D1011 D1012 L1017	I738-M1014 HydrophobicContact CD1-SD 4.32Å; D1011-M1014 HydrophobicContact CB-CG 4.19Å; D1011-M1014 WeakPolarHBondContact O-CG 3.43Å; D1012-M1014 VanDerWaalsContact C-N 3.3Å; D1012-M1014 PolarHBondContact O-N 3.05Å; M1014-L1017 HydrophobicContact CB-CD1 3.85Å; M1014-L1017 HydrophobicContact CE-CD1 3.5Å; M1014-L1017 HydrophobicContact CG-CD1 4.41Å; M1014-L1017 WeakPolarHBondContact O-CD1 3.3Å; M1014-L1017 WeakPolarHBondContact O-CG 3.5Å; M1014-L1017 HydrophobicContact SD-CD1 3.85Å
1015	G	50.3	Low	60.4	Low	76 Å²	76	71.1 Å²	71.1	78%	0.784	38%	0.379	S	S	*	.	S	Bend	trans	-72.5	-31.3	-173	0	0	0	0	0	116.6
1016	D	56.7	Low	59.2	Low	142 Å²	142	74.1 Å²	74.1	76%	0.759	41%	0.405	S	S	*	.	S	Bend	trans	-117.4	70.9	-178.3	-69	-55.8	0	0	0	110.3
1017	L	63	Low	57.9	Low	55 Å²	55	73.4 Å²	73.4	29%	0.288	41%	0.406	S	S	.	.	B	Isolated β-bridge	trans	-110.7	138.2	179.2	-65.3	175.5	0	0	0	111.7	I738 K747 M1014	I738-L1017 HydrophobicContact CD1-CD2 4.48Å; K747-L1017 HydrophobicContact CB-CD2 3.67Å; K747-L1017 HydrophobicContact CD-CD2 4.5Å; M1014-L1017 HydrophobicContact CB-CD1 3.85Å; M1014-L1017 HydrophobicContact CE-CD1 3.5Å; M1014-L1017 HydrophobicContact CG-CD1 4.41Å; M1014-L1017 WeakPolarHBondContact O-CD1 3.3Å; M1014-L1017 WeakPolarHBondContact O-CG 3.5Å; M1014-L1017 HydrophobicContact SD-CD1 3.85Å
1018	V	62.4	Low	56.3	Low	46 Å²	46	80.2 Å²	80.2	28%	0.279	44%	0.435	S	S	.	.			trans	-109.5	138.4	176.1	-179.1	0	0	0	0	109.5	V746 K747 P749 E1022	V746-V1018 HydrophobicContact CG1-CB 3.96Å; V746-V1018 HydrophobicContact CG1-CG2 3.77Å; K747-V1018 PolarHBondContact O-N 3.35Å; P749-V1018 WeakPolarHBondContact CD-O 3Å; V1018-E1022 HydrophobicContact CG1-CB 4.27Å; V1018-E1022 HydrophobicContact CG1-CG 4.28Å
1019	D	69.9	Low	55	Low	50 Å²	50	82.5 Å²	82.5	27%	0.267	46%	0.461	S	S	.	.			trans	-66.8	140.3	177.5	-175.7	-131.2	0	0	0	111.1	Q799 K854 E1021 E1022 Y1023	Q799-D1019 PolarHBondContact NE2-OD1 3.22Å; Q799-D1019 VanDerWaalsContact NE2-OD1 3.16Å; Q799-D1019 PolarHBondContact NE2-OD2 2.79Å; K854-D1019 IonicContact NZ-OD1 2.64Å; K854-D1019 PolarHBondContact NZ-OD1 3.35Å; K854-D1019 IonicContact NZ-OD2 2.72Å; D1019-E1021 PolarHBondContact O-N 3.02Å; D1019-E1021 VanDerWaalsContact O-N 3.16Å; D1019-E1022 HydrophobicContact CB-CB 4.09Å; D1019-E1022 WeakPolarHBondContact O-CB 3.25Å; D1019-E1022 PolarHBondContact O-N 3.2Å; D1019-Y1023 PolarHBondContact O-N 2.9Å
1020	A	68.8	Low	53.8	Low	2 Å²	2	86.3 Å²	86.3	2%	0.017	47%	0.474	C	S	.	.	H	α-helix	trans	-62.1	-28	-175.6	0	0	0	0	0	113.1	I748 L786 Q799 L1024	I748-A1020 HydrophobicContact CG2-CB 3.78Å; L786-A1020 HydrophobicContact CD1-CB 3.97Å; L786-A1020 HydrophobicContact CD2-CB 4.12Å; Q799-A1020 HydrophobicContact CB-CB 3.92Å; Q799-A1020 HydrophobicContact CG-CB 3.9Å; A1020-L1024 WeakPolarHBondContact O-CB 3.45Å; A1020-L1024 WeakPolarHBondContact O-CG 3.25Å; A1020-L1024 PolarHBondContact O-N 3.43Å
1021	E	66.2	Low	52.2	Low	67 Å²	67	87 Å²	87	31%	0.313	48%	0.475	S	S	.	.	H	α-helix	trans	-82	-30.1	174.7	-69.8	175.4	123.8	0	0	112.7	Q799 K854 K860 D1019 L1024 V1025	Q799-E1021 PolarHBondContact NE2-OE2 2.9Å; Q799-E1021 PolarHBondContact OE1-OE2 2.74Å; K854-E1021 IonicContact NZ-OE2 3.28Å; K854-E1021 PolarHBondContact NZ-OE2 2.9Å; K860-E1021 IonicContact NZ-OE1 3.21Å; K860-E1021 PolarHBondContact NZ-OE1 2.77Å; K860-E1021 IonicContact NZ-OE2 3.57Å; K860-E1021 PolarHBondContact NZ-OE2 2.79Å; D1019-E1021 PolarHBondContact O-N 3.02Å; D1019-E1021 VanDerWaalsContact O-N 3.16Å; E1021-L1024 PolarHBondContact O-N 3.42Å; E1021-V1025 VanDerWaalsContact O-CB 3.32Å; E1021-V1025 WeakPolarHBondContact O-CB 3.43Å; E1021-V1025 VanDerWaalsContact O-CG2 3.31Å; E1021-V1025 WeakPolarHBondContact O-CG2 3.43Å; E1021-V1025 PolarHBondContact O-N 3.13Å
1022	E	66.8	Low	50.9	Low	98 Å²	98	89.4 Å²	89.4	46%	0.458	50%	0.495	S	S	.	.	H	α-helix	trans	-67.1	-38.9	171.8	-176.3	175.9	-155.9	0	0	111.3	V1018 D1019	V1018-E1022 HydrophobicContact CG1-CB 4.27Å; V1018-E1022 HydrophobicContact CG1-CG 4.28Å; D1019-E1022 HydrophobicContact CB-CB 4.09Å; D1019-E1022 WeakPolarHBondContact O-CB 3.25Å; D1019-E1022 PolarHBondContact O-N 3.2Å
1023	Y	66.8	Low	49.9	Very low	38 Å²	38	87 Å²	87	15%	0.149	49%	0.489	C	S	.	.	H	α-helix	trans	-67.8	-32.1	173.6	-176.8	-98.4	0	0	0	113.3	L690 W739 P741 E744 V746 I748 D1019	L690-Y1023 HydrophobicContact CD2-CE2 4.18Å; L690-Y1023 WeakPolarHBondContact CD2-OH 3.27Å; W739-Y1023 HydrophobicContact CH2-CD1 4.43Å; W739-Y1023 AromaticContact CH2-CE1 3.81Å; W739-Y1023 HydrophobicContact CH2-CE1 3.81Å; W739-Y1023 HydrophobicContact CZ3-CD1 4.12Å; W739-Y1023 AromaticContact CZ3-CE1 3.92Å; W739-Y1023 HydrophobicContact CZ3-CE1 3.92Å; P741-Y1023 WeakPolarHBondContact CB-OH 3.49Å; P741-Y1023 HydrophobicContact CG-CE1 4.22Å; P741-Y1023 HydrophobicContact CG-CE2 4.37Å; P741-Y1023 VanDerWaalsContact CG-OH 3.22Å; P741-Y1023 WeakPolarHBondContact CG-OH 3.45Å; E744-Y1023 PolarHBondContact OE1-OH 3.31Å; V746-Y1023 HydrophobicContact CB-CE2 4.37Å; V746-Y1023 HydrophobicContact CG1-CD2 4.06Å; V746-Y1023 HydrophobicContact CG1-CE2 4.27Å; V746-Y1023 HydrophobicContact CG2-CE2 4.38Å; I748-Y1023 HydrophobicContact CD1-CD1 3.4Å; I748-Y1023 HydrophobicContact CD1-CD2 3.83Å; I748-Y1023 HydrophobicContact CD1-CE1 3.63Å; I748-Y1023 HydrophobicContact CD1-CE2 4.04Å; I748-Y1023 HydrophobicContact CD1-CG 3.5Å; I748-Y1023 HydrophobicContact CG1-CD2 4.49Å; I748-Y1023 HydrophobicContact CG1-CG 4.3Å; D1019-Y1023 PolarHBondContact O-N 2.9Å
1024	L	62.8	Low	48.9	Very low	43 Å²	43	90.6 Å²	90.6	23%	0.225	51%	0.508	C	S	.	.	H	α-helix	trans	-91.6	-13.9	-177.2	-72.8	-177.5	0	0	0	115.2	R713 L786 A1020 E1021	R713-L1024 VanDerWaalsContact NH2-CD2 3.26Å; L786-L1024 HydrophobicContact CD2-CD1 3.46Å; L786-L1024 VanDerWaalsContact CD2-CD1 3.46Å; A1020-L1024 WeakPolarHBondContact O-CB 3.45Å; A1020-L1024 WeakPolarHBondContact O-CG 3.25Å; A1020-L1024 PolarHBondContact O-N 3.43Å; E1021-L1024 PolarHBondContact O-N 3.42Å
1025	V	51.1	Low	48.1	Very low	88 Å²	88	94.2 Å²	94.2	53%	0.533	54%	0.535	S	S	.	.	S	Bend	trans	-115	110.8	-176.2	178.8	0	0	0	0	110.9	E1021 Q1027	E1021-V1025 VanDerWaalsContact O-CB 3.32Å; E1021-V1025 WeakPolarHBondContact O-CB 3.43Å; E1021-V1025 VanDerWaalsContact O-CG2 3.31Å; E1021-V1025 WeakPolarHBondContact O-CG2 3.43Å; E1021-V1025 PolarHBondContact O-N 3.13Å; V1025-Q1027 PolarHBondContact O-N 3.14Å
1026	P	34.7	Very low	47.5	Very low	116 Å²	116	95.1 Å²	95.1	75%	0.753	54%	0.535	S	S	*	.			trans	-67	91.3	176.8	-20.3	33.3	0	0	0	112.2	Q1028	P1026-Q1028 PolarHBondContact O-N 3.16Å; P1026-Q1028 VanDerWaalsContact O-N 3.1Å
1027	Q	34.7	Very low	46.5	Very low	93 Å²	93	94.8 Å²	94.8	44%	0.435	54%	0.54	S	S	.	.			trans	-65.4	111.1	-179.4	-67.2	-172.3	22.3	0	0	111.9	V1025 G1029	V1025-Q1027 PolarHBondContact O-N 3.14Å; Q1027-G1029 PolarHBondContact O-N 3.2Å
1028	Q	30.1	Very low	45	Very low	173 Å²	173	95.8 Å²	95.8	81%	0.808	56%	0.564	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.9	73.8	166.9	-63.1	-167.5	36.4	0	0	110.2	P1026	P1026-Q1028 PolarHBondContact O-N 3.16Å; P1026-Q1028 VanDerWaalsContact O-N 3.1Å
1029	G	32.6	Very low	43.5	Very low	58 Å²	58	98.8 Å²	98.8	60%	0.598	59%	0.594	S	S	*	*	T	Hydrogen-bonded Turn	trans	-157.4	-34.7	-179.2	0	0	0	0	0	115.4	Q1027 F1031	Q1027-G1029 PolarHBondContact O-N 3.2Å; G1029-F1031 PolarHBondContact O-N 2.77Å
1030	F	32.2	Very low	41.5	Very low	170 Å²	170	100.6 Å²	100.6	75%	0.746	62%	0.624	S	S	*	*			trans	-76	25.4	-174.2	-98.8	-82.5	0	0	0	115.8
1031	F	27.9	Very low	39.6	Very low	165 Å²	165	104.3 Å²	104.3	72%	0.724	66%	0.663	S	S	*	*			trans	-114.9	41.4	-173.9	-69.3	-69.6	0	0	0	114.5	G1029	G1029-F1031 PolarHBondContact O-N 2.77Å
1032	C	30.2	Very low	37.7	Very low	104 Å²	104	110.1 Å²	110.1	70%	0.703	69%	0.693	S	S	*	*			trans	-117.4	128	158.2	-82.6	0	0	0	0	110.2	D1034	C1032-D1034 PolarHBondContact O-N 3.46Å
1033	P	31.6	Very low	36	Very low	128 Å²	128	111.8 Å²	111.8	83%	0.831	71%	0.709	S	S	*	*			trans	-92.7	81.2	-179.8	35.9	-32.7	0	0	0	111.2
1034	D	33.9	Very low	34.2	Very low	145 Å²	145	118.3 Å²	118.3	78%	0.775	74%	0.741	S	S	*	*	P	Polyproline II helix	trans	-62	151.3	174.2	-80.1	-45.6	0	0	0	112.6	C1032	C1032-D1034 PolarHBondContact O-N 3.46Å
1035	P	36.9	Very low	32.7	Very low	121 Å²	121	125.2 Å²	125.2	79%	0.786	77%	0.771	S	S	*	*	P	Polyproline II helix	trans	-67.7	167.8	-176.2	-22	35.5	0	0	0	115.3
1036	A	37.8	Very low	31.7	Very low	95 Å²	95	131.7 Å²	131.7	79%	0.785	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-66.8	156.7	-175.7	0	0	0	0	0	113.8
1037	P	35.8	Very low	31.4	Very low	135 Å²	135	134.7 Å²	134.7	88%	0.877	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-87	153.1	-153.5	33.8	-37.6	0	0	0	115.8
1038	G	31.9	Very low	31.1	Very low	76 Å²	76	141.1 Å²	141.1	78%	0.784	81%	0.81	S	S	*	*			trans	-131.3	115	171.7	0	0	0	0	0	112.9
1039	A	31.3	Very low	31	Very low	109 Å²	109	138.8 Å²	138.8	90%	0.901	81%	0.813	S	S	*	*			trans	22.2	104.3	159.9	0	0	0	0	0	121.3
1040	G	27.7	Very low	30.9	Very low	88 Å²	88	140.9 Å²	140.9	91%	0.907	82%	0.818	S	S	*	*			trans	95.8	132.3	135.5	0	0	0	0	0	118.3
1041	G	28.6	Very low	30.9	Very low	81 Å²	81	138.1 Å²	138.1	84%	0.835	82%	0.82	S	S	*	*			trans	140.3	118.3	170.8	0	0	0	0	0	113.3
1042	M	27	Very low	31	Very low	189 Å²	189	136.5 Å²	136.5	93%	0.931	82%	0.824	S	S	*	*			trans	-81	137.6	163.3	-63.5	161.5	60.9	0	0	108.9
1043	V	30.9	Very low	31.1	Very low	132 Å²	132	142.2 Å²	142.2	80%	0.8	83%	0.831	S	S	*	*			trans	-170	151.7	146.1	131.3	0	0	0	0	110.8
1044	H	28.2	Very low	31.2	Very low	176 Å²	176	141.8 Å²	141.8	82%	0.815	83%	0.831	S	S	*	*			trans	-74.3	140.6	179.9	-54	-100.8	0	0	0	112.8
1045	H	30.9	Very low	31	Very low	188 Å²	188	138.8 Å²	138.8	87%	0.87	83%	0.834	S	S	*	*			trans	-104.1	116.6	158.6	-91	-69.8	0	0	0	111.6
1046	R	30.2	Very low	30.7	Very low	224 Å²	224	137.3 Å²	137.3	85%	0.845	84%	0.84	S	S	*	*			trans	-80.7	140.7	168.9	-69	171.5	167.6	162.5	-6.8	109.5	R1048	R1046-R1048 PolarHBondContact O-N 3.42Å
1047	H	28.9	Very low	30.3	Very low	179 Å²	179	136.5 Å²	136.5	83%	0.829	84%	0.841	S	S	*	*			trans	-60.7	129.2	161.6	-73.8	-88.6	0	0	0	109.6
1048	R	28.8	Very low	30.1	Very low	227 Å²	227	137.5 Å²	137.5	86%	0.857	84%	0.839	S	S	*	*			trans	-113.1	82.6	-175.9	-170.9	-176.9	-174	177.8	1.4	110.9	R1046 S1050	R1046-R1048 PolarHBondContact O-N 3.42Å; R1048-S1050 PolarHBondContact O-N 3.46Å
1049	S	26.8	Very low	30	Very low	125 Å²	125	140.7 Å²	140.7	87%	0.874	84%	0.838	S	S	*	*			trans	-77.1	97.8	165	-55.8	0	0	0	0	109
1050	S	32	Very low	30.1	Very low	101 Å²	101	141.4 Å²	141.4	71%	0.706	83%	0.831	S	S	*	*	P	Polyproline II helix	trans	-85.3	119.3	-179.8	48.7	0	0	0	0	112.1	R1048	R1048-S1050 PolarHBondContact O-N 3.46Å
1051	S	32.3	Very low	30.2	Very low	112 Å²	112	145.4 Å²	145.4	78%	0.783	83%	0.831	S	S	*	*	P	Polyproline II helix	trans	-65.9	151.6	171	-172.9	0	0	0	0	112
1052	T	28.5	Very low	30.3	Very low	132 Å²	132	144.6 Å²	144.6	81%	0.81	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-70.7	137.3	164.8	42.5	0	0	0	0	111.3
1053	R	32.5	Very low	30.7	Very low	224 Å²	224	143.7 Å²	143.7	85%	0.845	82%	0.821	S	S	*	*			trans	-159.7	139.2	150.7	-158	167	-179.2	168.9	-2.6	111
1054	S	33.8	Very low	30.8	Very low	119 Å²	119	145.4 Å²	145.4	83%	0.832	82%	0.82	S	S	*	*			trans	-93.3	154.7	-179.4	-42.8	0	0	0	0	112.8
1055	G	30	Very low	31.1	Very low	81 Å²	81	142.2 Å²	142.2	84%	0.835	82%	0.815	S	S	*	*			trans	90.1	140.1	143.4	0	0	0	0	0	118.4
1056	G	30.5	Very low	31.3	Very low	90 Å²	90	139 Å²	139	93%	0.928	81%	0.814	S	S	*	*			trans	99.6	128	169.2	0	0	0	0	0	114.5
1057	G	29.5	Very low	31.4	Very low	78 Å²	78	137.6 Å²	137.6	80%	0.804	82%	0.817	S	S	*	*			trans	-153.6	165.6	170.4	0	0	0	0	0	110.7
1058	D	32.1	Very low	31.6	Very low	156 Å²	156	138.8 Å²	138.8	83%	0.834	82%	0.823	S	S	*	*			trans	-155.5	173.8	161.8	-152.9	-8	0	0	0	110.5
1059	L	29.7	Very low	31.8	Very low	143 Å²	143	137.1 Å²	137.1	75%	0.749	83%	0.825	S	S	*	*			trans	-84.1	153.4	-165.5	-59.2	155.1	0	0	0	113.7
1060	T	32.5	Very low	32	Very low	124 Å²	124	135.2 Å²	135.2	76%	0.761	82%	0.817	S	S	*	*				172.9	129.9	106.4	32.7	0	0	0	0	115.5
1061	L	31.3	Very low	32.3	Very low	172 Å²	172	136 Å²	136	90%	0.901	82%	0.819	S	S	*	*			trans	38.2	132.6	136.5	-62.1	166.1	0	0	0	122.6
1062	G	30.6	Very low	32.4	Very low	65 Å²	65	141.6 Å²	141.6	67%	0.67	82%	0.823	S	S	*	*			trans	165.8	70.5	149.9	0	0	0	0	0	121.1
1063	L	34.7	Very low	32.6	Very low	169 Å²	169	140.6 Å²	140.6	89%	0.885	82%	0.822	S	S	*	*			trans	58.6	153.6	152	-70.8	72.3	0	0	0	118.6
1064	E	33.1	Very low	32.9	Very low	168 Å²	168	134.7 Å²	134.7	79%	0.785	81%	0.812	S	S	*	*			cis	-156.9	158	-14.4	-99.8	-91.3	92.7	0	0	107.1
1065	P	34.9	Very low	32.9	Very low	110 Å²	110	137.1 Å²	137.1	71%	0.714	82%	0.815	S	S	*	*			trans	-100.3	168.6	-174.9	39	-34.1	0	0	0	114.5
1066	S	34.5	Very low	33.2	Very low	121 Å²	121	137.2 Å²	137.2	85%	0.846	81%	0.808	S	S	*	*			trans	-150.4	119.3	161.6	61.2	0	0	0	0	111.8
1067	E	31.7	Very low	33.9	Very low	194 Å²	194	138.8 Å²	138.8	91%	0.907	80%	0.802	S	S	*	*			trans	-89.5	153.9	174.2	-58.8	166.1	112.2	0	0	110.8
1068	E	34.8	Very low	34.3	Very low	204 Å²	204	140.2 Å²	140.2	95%	0.953	80%	0.799	S	S	*	*			trans	-148.3	147.3	156.5	-148.8	170.3	-167.2	0	0	110.7
1069	E	32.6	Very low	34.5	Very low	192 Å²	192	141.7 Å²	141.7	90%	0.897	80%	0.801	S	S	*	*			trans	-117	173.2	-153.8	-142.3	-170.5	147.5	0	0	115
1070	A	31.2	Very low	34.9	Very low	85 Å²	85	138.2 Å²	138.2	70%	0.702	80%	0.8	S	S	*	*			trans	-72.9	171.2	-171.8	0	0	0	0	0	115.2
1071	P	37.7	Very low	35.3	Very low	117 Å²	117	137.7 Å²	137.7	76%	0.76	81%	0.808	S	S	*	*				-153	131.3	101.1	35.8	-16.7	0	0	0	119.2
1072	R	35	Very low	35.5	Very low	229 Å²	229	132.6 Å²	132.6	86%	0.864	80%	0.797	S	S	*	*				48.8	106.7	127.9	-59.8	179.2	175.3	165.9	0.4	123.3
1073	S	32	Very low	35.8	Very low	112 Å²	112	134.6 Å²	134.6	78%	0.783	80%	0.801	S	S	*	*				63.4	176	125.7	74.9	0	0	0	0	120.1
1074	P	37.8	Very low	35.9	Very low	100 Å²	100	133.5 Å²	133.5	65%	0.649	80%	0.796	S	S	*	*			cis	-138.2	176.7	-0.8	45.2	-28.4	0	0	0	117.5
1075	L	34.5	Very low	36.1	Very low	170 Å²	170	130.5 Å²	130.5	89%	0.89	79%	0.789	S	S	*	*			trans	64.1	156.9	160	-64	158.4	0	0	0	119.5
1076	A	35.9	Very low	36.1	Very low	83 Å²	83	134 Å²	134	69%	0.686	79%	0.793	S	S	*	*			cis	163.6	-171.6	-36.4	0	0	0	0	0	108.6
1077	P	45.1	Very low	36.2	Very low	123 Å²	123	135.2 Å²	135.2	80%	0.799	79%	0.79	S	S	*	*				-134.2	-179.7	-101.8	41.6	-22.2	0	0	0	116.5
1078	S	37.8	Very low	36.4	Very low	107 Å²	107	129.1 Å²	129.1	75%	0.748	78%	0.779	S	S	*	*			trans	178.7	146.7	164.7	-113.7	0	0	0	0	107.9
1079	E	37.1	Very low	36.5	Very low	187 Å²	187	126.8 Å²	126.8	87%	0.874	77%	0.774	S	S	*	*			cis	-148.4	171.8	-7.4	-62.4	-166.4	164.3	0	0	107.8
1080	G	37.9	Very low	36.5	Very low	70 Å²	70	125.5 Å²	125.5	72%	0.722	77%	0.772	S	S	*	*			cis	177.5	162.2	-6.2	0	0	0	0	0	113.4
1081	A	40.4	Very low	36.7	Very low	114 Å²	114	125.5 Å²	125.5	94%	0.942	78%	0.78	S	S	*	*			trans	60.6	127.8	170.7	0	0	0	0	0	120.1
1082	G	36.5	Very low	36.3	Very low	64 Å²	64	129.4 Å²	129.4	66%	0.66	79%	0.79	S	S	*	*			cis	167.6	152.1	-12.4	0	0	0	0	0	116
1083	S	37	Very low	36.2	Very low	107 Å²	107	122.2 Å²	122.2	75%	0.748	79%	0.788	S	S	*	*			trans	65.7	147.2	158.8	62.2	0	0	0	0	122.6
1084	D	35.4	Very low	36.2	Very low	146 Å²	146	122.2 Å²	122.2	78%	0.781	80%	0.795	S	S	*	*			cis	-167.3	124.8	-26.7	-97.6	-28	0	0	0	114.4
1085	V	37.6	Very low	36.1	Very low	106 Å²	106	122.5 Å²	122.5	64%	0.642	81%	0.806	S	S	*	*			trans	57.4	150.7	136.3	-151.3	0	0	0	0	124.9
1086	F	35.1	Very low	35.9	Very low	182 Å²	182	124.8 Å²	124.8	80%	0.798	81%	0.808	S	S	*	*			trans	89.4	138	161.2	-64.4	-81.6	0	0	0	119.3
1087	D	37.3	Very low	35.7	Very low	147 Å²	147	124.1 Å²	124.1	79%	0.786	81%	0.809	S	S	*	*			cis	-170.3	164.5	-26.5	-145.2	-20.5	0	0	0	112.6
1088	G	36	Very low	35.1	Very low	66 Å²	66	125.5 Å²	125.5	68%	0.68	81%	0.809	S	S	*	*			trans	76	154.7	162	0	0	0	0	0	118.3
1089	D	36	Very low	34.9	Very low	156 Å²	156	129 Å²	129	83%	0.834	81%	0.814	S	S	*	*			cis	-153	170.2	-7.6	-166.9	11.8	0	0	0	110.4
1090	L	33.8	Very low	34.8	Very low	165 Å²	165	125.9 Å²	125.9	86%	0.864	81%	0.812	S	S	*	*			trans	-93.5	160.9	-166.9	-68.3	83.4	0	0	0	115.3
1091	G	33.9	Very low	34.3	Very low	84 Å²	84	129.6 Å²	129.6	87%	0.866	82%	0.815	S	S	*	*			trans	-162.6	98.8	166.5	0	0	0	0	0	114.1
1092	M	30.4	Very low	34.1	Very low	199 Å²	199	129.7 Å²	129.7	98%	0.98	81%	0.806	S	S	*	*			trans	-119.3	135.5	-178.8	-164.2	83.6	170.7	0	0	110.7
1093	G	33.2	Very low	34	Very low	79 Å²	79	131.8 Å²	131.8	81%	0.814	81%	0.806	S	S	*	*			trans	-175.7	144.3	175.5	0	0	0	0	0	114.9
1094	A	30.6	Very low	33.9	Very low	112 Å²	112	134.5 Å²	134.5	93%	0.926	81%	0.807	S	S	*	*			trans	-145.6	142.8	-178.3	0	0	0	0	0	112.5
1095	A	36	Very low	33.9	Very low	106 Å²	106	134 Å²	134	88%	0.876	80%	0.804	S	S	*	*			trans	-156.4	177.8	176.1	0	0	0	0	0	112
1096	K	30.5	Very low	33.9	Very low	218 Å²	218	134.5 Å²	134.5	95%	0.948	81%	0.809	S	S	*	*			trans	-131.9	152.4	-165.9	-65.9	175.5	174.1	177.4	0	115.1
1097	G	31.9	Very low	33.6	Very low	68 Å²	68	130.8 Å²	130.8	70%	0.701	81%	0.806	S	S	*	*			trans	99.9	165.8	157.3	0	0	0	0	0	116.5
1098	L	32.9	Very low	33.4	Very low	153 Å²	153	129.4 Å²	129.4	80%	0.801	81%	0.805	S	S	*	*			cis	-175.7	140.8	-16.3	-121.6	157.6	0	0	0	109.6
1099	Q	34.1	Very low	33.1	Very low	181 Å²	181	133.7 Å²	133.7	85%	0.846	81%	0.811	S	S	*	*			trans	71.8	155.7	170.4	-52.8	170.3	0.3	0	0	115.7
1100	S	33.4	Very low	32.8	Very low	120 Å²	120	134.2 Å²	134.2	84%	0.839	81%	0.809	S	S	*	*			cis	-147.6	176.5	15.1	58	0	0	0	0	115.3
1101	L	28.2	Very low	32.5	Very low	148 Å²	148	135.6 Å²	135.6	78%	0.775	80%	0.803	S	S	*	*			trans	-91.7	170.8	-174.3	-108.8	96.8	0	0	0	114.5	T1103	L1101-T1103 HydrophobicContact CD2-CG2 4.25Å
1102	P	36.4	Very low	32.3	Very low	117 Å²	117	143.2 Å²	143.2	76%	0.76	81%	0.807	S	S	*	*				-159	139.8	65.2	41.2	-17.3	0	0	0	123.3
1103	T	33.9	Very low	32.2	Very low	107 Å²	107	137.6 Å²	137.6	66%	0.656	79%	0.787	S	S	*	*			trans	33.6	122.3	136.3	61.5	0	0	0	0	126.5	L1101	L1101-T1103 HydrophobicContact CD2-CG2 4.25Å
1104	H	35.8	Very low	32.1	Very low	165 Å²	165	143 Å²	143	76%	0.764	79%	0.791	S	S	*	*				176.7	117.5	117.4	-99	-65.1	0	0	0	109.6
1105	D	34.9	Very low	32.3	Very low	135 Å²	135	145 Å²	145	72%	0.722	79%	0.786	S	S	*	*				71.6	139	97.4	-83	-39	0	0	0	117.5
1106	P	36.7	Very low	32.2	Very low	116 Å²	116	144.4 Å²	144.4	75%	0.753	77%	0.774	S	S	*	*			cis	-137.1	176.7	-40.7	35	-15.5	0	0	0	115.4
1107	S	30.3	Very low	32.2	Very low	104 Å²	104	139.6 Å²	139.6	73%	0.727	76%	0.762	S	S	*	*			trans	-39.3	173.5	175	-48.9	0	0	0	0	119.6
1108	P	32.9	Very low	32.1	Very low	118 Å²	118	142.6 Å²	142.6	77%	0.766	77%	0.767	S	S	*	*			cis	-126.6	163.8	3.9	45.1	-31.4	0	0	0	113.8
1109	L	29.5	Very low	32.2	Very low	156 Å²	156	141.2 Å²	141.2	82%	0.817	77%	0.767	S	S	*	*			cis	74	137.4	26.6	-84.3	173.9	0	0	0	117.8
1110	Q	29.5	Very low	32.1	Very low	167 Å²	167	140 Å²	140	78%	0.78	77%	0.766	S	S	*	*			trans	78.2	139.7	-169.3	-52.2	179.7	15.4	0	0	114.1
1111	R	27.8	Very low	32.1	Very low	195 Å²	195	140 Å²	140	74%	0.736	76%	0.762	S	S	*	*			cis	-157.6	137.2	-6.5	-121.6	175.5	-174.3	164.6	-1.5	108.1
1112	Y	28.7	Very low	32.3	Very low	243 Å²	243	137.9 Å²	137.9	95%	0.953	76%	0.76	S	S	*	*			trans	-128.3	86.8	160.6	-90.7	-73.5	0	0	0	108.6
1113	S	29.4	Very low	32	Very low	81 Å²	81	141 Å²	141	57%	0.566	77%	0.765	S	S	*	*			trans	-157.5	125.2	-179.8	-46.6	0	0	0	0	108.9
1114	E	31.5	Very low	31.9	Very low	192 Å²	192	142.9 Å²	142.9	90%	0.897	78%	0.776	S	S	*	*			trans	71	149.9	149.8	-56.7	171.4	124	0	0	120.6
1115	D	33	Very low	31.6	Very low	155 Å²	155	142.9 Å²	142.9	83%	0.829	78%	0.782	S	S	*	*			trans	-60.5	176.5	154	-135.9	2	0	0	0	109.5
1116	P	35.8	Very low	31.4	Very low	94 Å²	94	140 Å²	140	61%	0.61	78%	0.784	S	S	*	*			cis	-141.6	-162.1	0.8	37.2	-12.9	0	0	0	114.5
1117	T	29.3	Very low	31	Very low	116 Å²	116	144.9 Å²	144.9	71%	0.712	79%	0.789	S	S	*	*			trans	21	113.3	152.1	54.7	0	0	0	0	121.7
1118	V	30.9	Very low	31.1	Very low	132 Å²	132	146.9 Å²	146.9	80%	0.8	80%	0.796	S	S	*	*				24.5	121.6	128.4	179.6	0	0	0	0	118.7
1119	P	34.8	Very low	30.9	Very low	123 Å²	123	144.8 Å²	144.8	80%	0.799	79%	0.789	S	S	*	*				-143.4	166.9	111.4	33.2	-15.9	0	0	0	117.4
1120	L	30.7	Very low	30.9	Very low	157 Å²	157	143.3 Å²	143.3	82%	0.822	79%	0.789	S	S	*	*			trans	-66.1	172.7	176	-104.2	75.3	0	0	0	114.1
1121	P	33.6	Very low	31	Very low	118 Å²	118	143.7 Å²	143.7	77%	0.766	80%	0.795	S	S	*	*			cis	-125.7	-163.7	23.7	45.9	-29.9	0	0	0	113.5
1122	S	33.9	Very low	31	Very low	105 Å²	105	141.1 Å²	141.1	73%	0.734	80%	0.801	S	S	*	*			cis	-153.9	160.7	13	56.8	0	0	0	0	115.5
1123	E	29	Very low	31	Very low	182 Å²	182	134.6 Å²	134.6	85%	0.85	79%	0.79	S	S	*	*			trans	-14.2	115.7	165.9	-57.6	179.3	135.4	0	0	120.5
1124	T	32.5	Very low	30.8	Very low	146 Å²	146	135.8 Å²	135.8	90%	0.896	80%	0.798	S	S	*	*				-169.5	147.5	113.5	14.1	0	0	0	0	111.4
1125	D	29.4	Very low	30.9	Very low	165 Å²	165	132.5 Å²	132.5	88%	0.882	79%	0.794	S	S	*	*			trans	-78.9	151.5	-168	-66.3	-72.8	0	0	0	116.3
1126	G	29.9	Very low	30.6	Very low	74 Å²	74	134.1 Å²	134.1	76%	0.763	80%	0.796	S	S	*	*			trans	-176.7	51.7	177.8	0	0	0	0	0	116.6
1127	Y	28.3	Very low	30.4	Very low	219 Å²	219	134.5 Å²	134.5	86%	0.859	80%	0.799	S	S	*	*			trans	-67.5	133.6	-179.5	-102.3	-90.6	0	0	0	114.5
1128	V	33.8	Very low	30.4	Very low	146 Å²	146	138 Å²	138	89%	0.885	81%	0.807	S	S	*	*			trans	-139.2	133.8	152.6	-177.3	0	0	0	0	108.1
1129	A	27.7	Very low	30.3	Very low	75 Å²	75	137.9 Å²	137.9	62%	0.62	79%	0.793	S	S	*	*			trans	-129.8	153	-170.4	0	0	0	0	0	113.4
1130	P	29.8	Very low	30	Very low	124 Å²	124	138.6 Å²	138.6	81%	0.805	80%	0.795	S	S	*	*	S	Bend	trans	-87.5	115.3	166.8	0	19.7	0	0	0	111.7
1131	L	31.2	Very low	30.1	Very low	175 Å²	175	138 Å²	138	92%	0.916	79%	0.793	S	S	*	*			trans	42.8	101	152.7	-61.8	171.3	0	0	0	118.7
1132	T	28.2	Very low	29.9	Very low	141 Å²	141	141.4 Å²	141.4	87%	0.865	80%	0.799	S	S	*	*			trans	-69.9	136.1	172.4	51	0	0	0	0	113.9
1133	C	27.6	Very low	29.7	Very low	106 Å²	106	142.2 Å²	142.2	72%	0.716	80%	0.801	S	S	*	*			trans	-121.5	109.7	153.2	-163.1	0	0	0	0	108.9
1134	S	26.4	Very low	29.9	Very low	106 Å²	106	141.3 Å²	141.3	74%	0.741	80%	0.802	S	S	*	*			trans	-160.1	128.6	179.6	-67.4	0	0	0	0	110
1135	P	33.8	Very low	30	Very low	124 Å²	124	140.6 Å²	140.6	81%	0.805	80%	0.797	S	S	*	*				-120.7	154.2	119.4	-3.1	23.2	0	0	0	111.6
1136	Q	26.9	Very low	30	Very low	188 Å²	188	142.2 Å²	142.2	88%	0.879	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-72.6	135	172.2	-62.3	167.4	-85.9	0	0	110.3	E1138	Q1136-E1138 PolarHBondContact O-N 3.14Å
1137	P	31.1	Very low	30.2	Very low	102 Å²	102	144.6 Å²	144.6	66%	0.662	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-75.3	118.5	160.8	30.3	-30.3	0	0	0	109.1
1138	E	28.7	Very low	30.4	Very low	189 Å²	189	141.6 Å²	141.6	88%	0.883	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-79.4	129.2	178.5	-165	167.4	-147.4	0	0	110.3	Q1136 V1140	Q1136-E1138 PolarHBondContact O-N 3.14Å; E1138-V1140 PolarHBondContact O-N 2.82Å
1139	Y	28.2	Very low	30.8	Very low	130 Å²	130	139.8 Å²	139.8	51%	0.51	78%	0.778	S	S	.	*	P	Polyproline II helix	trans	-75.6	124.4	-174.3	-86.8	-100	0	0	0	112.1	I949 M953	I949-Y1139 WeakPolarHBondContact CD1-OH 3.41Å; M953-Y1139 WeakPolarHBondContact CE-OH 3.45Å
1140	V	29.8	Very low	31.5	Very low	139 Å²	139	142.3 Å²	142.3	84%	0.842	79%	0.788	S	S	*	*			trans	-113.3	117.1	166.2	-177.9	0	0	0	0	109.2	E1138	E1138-V1140 PolarHBondContact O-N 2.82Å
1141	N	32.7	Very low	31.8	Very low	145 Å²	145	141.5 Å²	141.5	78%	0.775	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-88.9	171.4	178.9	-93.7	-55.4	0	0	0	112.8
1142	Q	28.9	Very low	32.3	Very low	189 Å²	189	138.5 Å²	138.5	88%	0.883	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-63.3	163	-172.7	-84.4	-179.6	-15.5	0	0	115.3
1143	P	30.7	Very low	32.8	Very low	122 Å²	122	142.2 Å²	142.2	79%	0.792	78%	0.775	S	S	*	*	P	Polyproline II helix	trans	-91.9	160.5	-152.6	36.4	-37.5	0	0	0	115
1144	D	33.1	Very low	33.3	Very low	162 Å²	162	145 Å²	145	87%	0.866	78%	0.778	S	S	*	*			trans	-142.3	172.7	165.2	-140.2	-33.5	0	0	0	112.1
1145	V	33.3	Very low	33.9	Very low	131 Å²	131	143.3 Å²	143.3	79%	0.794	78%	0.777	S	S	*	*			trans	-89	149.2	-151.1	-178.4	0	0	0	0	116.1
1146	R	30.6	Very low	34.3	Very low	199 Å²	199	142.8 Å²	142.8	75%	0.751	77%	0.773	S	S	*	*			trans	-36.6	157	166.2	-92.8	-174.9	177.2	-173.6	1.3	115.6
1147	P	34.4	Very low	34.9	Very low	125 Å²	125	141.6 Å²	141.6	81%	0.812	77%	0.772	S	S	*	*			cis	-144.3	171.4	41.1	38.6	-17.4	0	0	0	120.9
1148	Q	32.4	Very low	35.3	Very low	155 Å²	155	142 Å²	142	72%	0.724	78%	0.775	S	S	*	*			trans	-46.5	172.2	-175.8	-83.8	-179.2	-47.1	0	0	122.1
1149	P	41.9	Very low	35.6	Very low	108 Å²	108	137.7 Å²	137.7	70%	0.701	77%	0.772	S	S	*	*			trans	-108.4	-165.4	-160.1	44.2	-36.5	0	0	0	114.8
1150	P	42.3	Very low	36.1	Very low	128 Å²	128	136.4 Å²	136.4	83%	0.831	79%	0.788	S	S	*	*				-136	173.8	117	38.9	-29	0	0	0	115.6
1151	S	36.3	Very low	36.4	Very low	108 Å²	108	141.3 Å²	141.3	76%	0.755	79%	0.791	S	S	*	*			trans	-121	-153.2	-177.5	64.2	0	0	0	0	110.2
1152	P	41	Very low	36.6	Very low	112 Å²	112	140.3 Å²	140.3	73%	0.727	79%	0.793	S	S	*	*			cis	-126.2	-175.1	-39.3	37	-22.1	0	0	0	111.9
1153	R	38.1	Very low	36.7	Very low	218 Å²	218	136.1 Å²	136.1	82%	0.823	79%	0.79	S	S	*	*			trans	-169	126.1	144.5	-116.1	175.7	170.3	142.7	6.2	118.5
1154	E	39.5	Very low	36.7	Very low	166 Å²	166	133.8 Å²	133.8	78%	0.776	79%	0.788	S	S	*	*			trans	26.7	138	130.3	-52.5	171.2	128.6	0	0	119.9
1155	G	39.1	Very low	36.8	Very low	70 Å²	70	131.1 Å²	131.1	72%	0.722	79%	0.788	S	S	*	*			cis	-171.9	-141.8	11	0	0	0	0	0	114.4
1156	P	41.7	Very low	36.6	Very low	113 Å²	113	131.3 Å²	131.3	73%	0.734	79%	0.79	S	S	*	*				-141.2	154.1	-92.8	39.9	-24.2	0	0	0	120.2
1157	L	38.6	Very low	36.6	Very low	162 Å²	162	130.3 Å²	130.3	85%	0.848	80%	0.799	S	S	*	*			trans	69.6	168.3	141.6	-69.6	170.4	0	0	0	121.1
1158	P	41	Very low	36.3	Very low	110 Å²	110	132.7 Å²	132.7	71%	0.714	80%	0.799	S	S	*	*			cis	-144.3	172.7	-34.6	38.9	-20.9	0	0	0	118.7
1159	A	33.9	Very low	36.2	Very low	100 Å²	100	135.1 Å²	135.1	83%	0.826	80%	0.802	S	S	*	*			trans	73	116.4	136.8	0	0	0	0	0	124.7
1160	A	39.5	Very low	35.8	Very low	102 Å²	102	135.3 Å²	135.3	84%	0.843	80%	0.803	S	S	*	*				-156.6	131.4	123.5	0	0	0	0	0	112.2
1161	R	35.1	Very low	35.3	Very low	243 Å²	243	137.9 Å²	137.9	92%	0.917	80%	0.801	S	S	*	*			trans	-162.9	152.3	172.3	-119.7	-175.9	-173.7	-172.4	3.4	106.8
1162	P	37.6	Very low	34.9	Very low	124 Å²	124	139.1 Å²	139.1	81%	0.805	80%	0.804	S	S	*	*				-155.3	-177.4	85.1	41.8	-22	0	0	0	117.6
1163	A	31.9	Very low	34.3	Very low	101 Å²	101	141.5 Å²	141.5	84%	0.835	81%	0.81	S	S	*	*			trans	-21.2	163.5	159.8	0	0	0	0	0	120.2
1164	G	30	Very low	33.8	Very low	72 Å²	72	136.9 Å²	136.9	74%	0.742	81%	0.811	S	S	*	*			cis	163.2	-138	2.4	0	0	0	0	0	112.5
1165	A	34	Very low	33.6	Very low	106 Å²	106	135 Å²	135	88%	0.876	81%	0.813	S	S	*	*			trans	78.9	104.2	176.4	0	0	0	0	0	118.4
1166	T	29.4	Very low	33.3	Very low	136 Å²	136	135.7 Å²	135.7	83%	0.834	82%	0.82	S	S	*	*			trans	-50.3	149.3	157.5	46.2	0	0	0	0	115.5
1167	L	31.5	Very low	32.6	Very low	177 Å²	177	139.3 Å²	139.3	93%	0.927	83%	0.825	S	S	*	*			trans	-155.4	153.1	144.2	-129.9	140	0	0	0	111.4
1168	E	27.1	Very low	32.2	Very low	176 Å²	176	138.8 Å²	138.8	82%	0.822	82%	0.823	S	S	*	*			trans	-97.7	164.5	-170.5	-63.5	-168.3	101.2	0	0	115.1
1169	R	31.6	Very low	31.6	Very low	205 Å²	205	137 Å²	137	77%	0.774	82%	0.824	S	S	*	*			trans	8.3	148.5	146.4	-106.4	-177.4	-173.8	173.2	5.7	120
1170	P	32.7	Very low	31.4	Very low	113 Å²	113	138.2 Å²	138.2	73%	0.734	82%	0.821	S	S	*	*				-146.2	168.6	73.4	38.7	-21.2	0	0	0	117.9
1171	K	32.5	Very low	30.8	Very low	181 Å²	181	139.8 Å²	139.8	79%	0.787	82%	0.82	S	S	*	*			trans	-85.6	136.5	157.1	-71	-179.1	173.6	-175.6	0	109.1
1172	T	26.6	Very low	30.3	Very low	134 Å²	134	136.7 Å²	136.7	82%	0.822	81%	0.813	S	S	*	*			trans	-159.1	152.4	154.1	8.1	0	0	0	0	112.1
1173	L	28.1	Very low	29.8	Very low	163 Å²	163	135.9 Å²	135.9	85%	0.853	80%	0.802	S	S	*	*			trans	-82.9	159.1	178	-73.4	65.1	0	0	0	111.8
1174	S	29.3	Very low	29.6	Very low	120 Å²	120	138.1 Å²	138.1	84%	0.839	81%	0.805	S	S	*	*			trans	-155.5	149.7	135.4	-84.1	0	0	0	0	111.5
1175	P	34.9	Very low	29.4	Very low	126 Å²	126	143 Å²	143	82%	0.818	81%	0.806	S	S	*	*			trans	-103.4	138.9	-164.9	37.2	-32.3	0	0	0	114.8
1176	G	31.8	Very low	29.1	Very low	85 Å²	85	141.8 Å²	141.8	88%	0.876	80%	0.796	S	S	*	*			trans	-95.1	133.4	163.6	0	0	0	0	0	110.9
1177	K	28.3	Very low	29	Very low	189 Å²	189	145.4 Å²	145.4	82%	0.822	80%	0.801	S	S	*	*			trans	-121.9	147.9	-172.7	-136.3	-176.1	-174	-179.5	0	111.7
1178	N	29.6	Very low	29	Very low	152 Å²	152	140.8 Å²	140.8	81%	0.813	80%	0.795	S	S	*	*			trans	80.7	133	167.6	-45.2	-22.7	0	0	0	116.8
1179	G	29	Very low	29.2	Very low	71 Å²	71	136.3 Å²	136.3	73%	0.732	80%	0.797	S	S	*	*			trans	136.5	45.2	177.4	0	0	0	0	0	113.7
1180	V	27.9	Very low	29	Very low	127 Å²	127	131.3 Å²	131.3	77%	0.77	80%	0.799	S	S	*	*				75.5	101.9	87.2	173.1	0	0	0	0	113.8
1181	V	27.1	Very low	28.9	Very low	135 Å²	135	129.5 Å²	129.5	82%	0.818	79%	0.786	S	S	*	*			trans	63.6	139.2	143	169	0	0	0	0	118.7
1182	K	26.2	Very low	28.8	Very low	178 Å²	178	130.1 Å²	130.1	77%	0.774	79%	0.792	S	S	*	*			cis	-170.9	176.7	-22.1	-161.2	-173.6	172.3	-163.9	0	106.8
1183	D	26.1	Very low	29	Very low	106 Å²	106	130.3 Å²	130.3	57%	0.567	79%	0.788	S	S	*	*			trans	91.8	95.3	164.1	-56.4	-12.4	0	0	0	116.6	F1185	D1183-F1185 HydrophobicContact CB-CD2 4.24Å; D1183-F1185 HydrophobicContact CB-CE2 4.29Å
1184	V	27.3	Very low	29.5	Very low	149 Å²	149	127.5 Å²	127.5	90%	0.903	78%	0.779	S	S	*	*			trans	-120.4	127.2	148.3	177.1	0	0	0	0	105.4
1185	F	26.1	Very low	29.7	Very low	174 Å²	174	129 Å²	129	76%	0.763	77%	0.773	S	S	*	*			trans	-117.3	162.3	-175.2	-96.2	-90.5	0	0	0	110.7	D1183	D1183-F1185 HydrophobicContact CB-CD2 4.24Å; D1183-F1185 HydrophobicContact CB-CE2 4.29Å
1186	A	28	Very low	29.6	Very low	81 Å²	81	133.4 Å²	133.4	67%	0.669	77%	0.774	S	S	*	*			trans	67	118.8	-179.4	0	0	0	0	0	113.5
1187	F	27.5	Very low	29.5	Very low	212 Å²	212	135.7 Å²	135.7	93%	0.93	77%	0.766	S	S	*	*			cis	59.5	131.6	32.7	-61.6	-88.5	0	0	0	114
1188	G	32	Very low	29.8	Very low	79 Å²	79	132.5 Å²	132.5	81%	0.814	76%	0.763	S	S	*	*			cis	-172.9	-171.6	-1.6	0	0	0	0	0	109.5
1189	G	30.3	Very low	30.2	Very low	83 Å²	83	130.4 Å²	130.4	86%	0.856	76%	0.757	S	S	*	*			cis	173.4	154.7	-2.7	0	0	0	0	0	109.6
1190	A	28.2	Very low	30.4	Very low	99 Å²	99	136.5 Å²	136.5	82%	0.818	77%	0.767	S	S	*	*			trans	-131.7	123.6	176.8	0	0	0	0	0	110.3
1191	V	30.9	Very low	30.6	Very low	76 Å²	76	134.5 Å²	134.5	46%	0.461	77%	0.771	S	S	.	*			trans	-30.3	121.3	-175.7	-171.6	0	0	0	0	116	Y274	Y274-V1191 HydrophobicContact CD1-CG2 4Å; Y274-V1191 HydrophobicContact CE1-CG2 3.63Å
1192	E	28.8	Very low	30.7	Very low	194 Å²	194	132 Å²	132	91%	0.907	77%	0.774	S	S	*	*			trans	-112.1	145.2	149.9	-76.5	-166.4	137.7	0	0	109.1
1193	N	32	Very low	31.1	Very low	138 Å²	138	128.7 Å²	128.7	74%	0.738	78%	0.779	S	S	*	*			trans	-108.9	138.1	177.1	-145.8	3.5	0	0	0	108.7
1194	P	37.8	Very low	31.5	Very low	103 Å²	103	128.3 Å²	128.3	67%	0.669	79%	0.791	S	S	*	*			trans	-103.9	-175.2	-147.9	40.2	-38.5	0	0	0	116.9
1195	E	32.9	Very low	32.3	Very low	151 Å²	151	127 Å²	127	71%	0.706	79%	0.786	S	S	*	*			trans	81.4	112.8	163.3	-57.5	-167.2	162.6	0	0	119.5
1196	Y	33.1	Very low	32.6	Very low	219 Å²	219	127.3 Å²	127.3	86%	0.859	79%	0.789	S	S	*	*				-160.6	100.6	101	-102	-67.8	0	0	0	113.2
1197	L	30.9	Very low	33	Very low	134 Å²	134	128.7 Å²	128.7	70%	0.702	79%	0.791	S	S	*	*			trans	6.8	112.6	155.3	-60.3	170	0	0	0	121.1
1198	T	34.4	Very low	33.2	Very low	122 Å²	122	127.3 Å²	127.3	75%	0.748	79%	0.787	S	S	*	*				32.8	162.5	114	60.1	0	0	0	0	122.7
1199	P	37.8	Very low	33.3	Very low	108 Å²	108	129 Å²	129	70%	0.701	78%	0.784	S	S	*	*			cis	-138.6	168.2	-4.5	25.9	-1.1	0	0	0	117.9
1200	Q	32.3	Very low	33.9	Very low	199 Å²	199	130.6 Å²	130.6	93%	0.93	78%	0.779	S	S	*	*			trans	41.9	128.4	142.6	-62.7	179.8	6.3	0	0	123.2
1201	G	33.5	Very low	34.2	Very low	84 Å²	84	131.8 Å²	131.8	87%	0.866	78%	0.779	S	S	*	*			trans	172.3	109	155.9	0	0	0	0	0	112.2
1202	G	29.3	Very low	34.1	Very low	84 Å²	84	132.3 Å²	132.3	87%	0.866	79%	0.791	S	S	*	*			trans	-122.5	139.6	-168.1	0	0	0	0	0	115.9
1203	A	34.1	Very low	34	Very low	107 Å²	107	132.3 Å²	132.3	88%	0.884	79%	0.788	S	S	*	*			trans	-152.3	157.9	161.2	0	0	0	0	0	109.1
1204	A	34	Very low	33.9	Very low	99 Å²	99	130.8 Å²	130.8	82%	0.818	79%	0.788	S	S	*	*			trans	-132.5	-161.9	-171.2	0	0	0	0	0	111.8
1205	P	44.5	Very low	33.7	Very low	122 Å²	122	131.7 Å²	131.7	79%	0.792	79%	0.794	S	S	*	*				-126.1	178.3	-96.9	40.3	-25.2	0	0	0	113.5
1206	Q	32.8	Very low	33.4	Very low	180 Å²	180	128.2 Å²	128.2	84%	0.841	79%	0.791	S	S	*	*			trans	-155.2	152.6	147.1	-80.9	-142.7	-7.1	0	0	113.6
1207	P	35.1	Very low	33.2	Very low	109 Å²	109	127 Å²	127	71%	0.708	79%	0.791	S	S	*	*			trans	-125.7	158.6	-177.8	41.7	-28.9	0	0	0	116.1
1208	H	31.8	Very low	33.1	Very low	184 Å²	184	126.2 Å²	126.2	85%	0.852	79%	0.787	S	S	*	*			trans	-145.9	163	166.6	-81.3	-54.5	0	0	0	114
1209	P	34.9	Very low	32.8	Very low	114 Å²	114	126.4 Å²	126.4	74%	0.74	78%	0.784	S	S	*	*			trans	-117	174.9	-159.2	38.7	-24.2	0	0	0	116.8
1210	P	43.7	Very low	32.3	Very low	117 Å²	117	127.1 Å²	127.1	76%	0.76	78%	0.781	S	S	*	*			trans	-113.4	161.9	-160.4	41.2	-35.1	0	0	0	117.9
1211	P	33.6	Very low	32.2	Very low	124 Å²	124	127.2 Å²	127.2	81%	0.805	77%	0.774	S	S	*	*			trans	-139.8	142.1	160.6	38.8	-22.3	0	0	0	118.4
1212	A	28.7	Very low	31.7	Very low	87 Å²	87	132.7 Å²	132.7	72%	0.719	77%	0.77	S	S	*	*			trans	38.6	125.4	135.3	0	0	0	0	0	126.2
1213	F	26	Very low	31.9	Very low	194 Å²	194	139.2 Å²	139.2	85%	0.851	77%	0.769	S	S	*	*			trans	58.2	111.6	131.8	-77.7	-85.4	0	0	0	124.9
1214	S	29.8	Very low	31.6	Very low	105 Å²	105	139.3 Å²	139.3	73%	0.734	76%	0.755	S	S	*	*				59.2	171.2	128.9	-60	0	0	0	0	121.9
1215	P	34.8	Very low	31.4	Very low	123 Å²	123	143 Å²	143	80%	0.799	76%	0.755	S	S	*	*			cis	-127.8	-150	-17.8	38.3	-18	0	0	0	113.2
1216	A	27.1	Very low	30.6	Very low	78 Å²	78	144.4 Å²	144.4	65%	0.645	76%	0.756	S	S	*	*			trans	91.8	115.4	166.7	0	0	0	0	0	117.5
1217	F	27.5	Very low	30.9	Very low	194 Å²	194	141.2 Å²	141.2	85%	0.851	75%	0.751	S	S	*	*				80.6	141.9	81	-71.4	-56.9	0	0	0	113.4
1218	D	28.7	Very low	30.9	Very low	116 Å²	116	141.9 Å²	141.9	62%	0.62	76%	0.755	S	S	*	*			cis	-165	155.8	3.6	-137.4	-4.9	0	0	0	114.4
1219	N	28.1	Very low	30.8	Very low	127 Å²	127	139.9 Å²	139.9	68%	0.679	75%	0.746	S	S	*	*			trans	58.4	167.4	145.9	-76.2	-40.6	0	0	0	122
1220	L	27.5	Very low	30.6	Very low	123 Å²	123	145 Å²	145	64%	0.644	75%	0.751	S	S	*	*			cis	-150.4	173.6	2.3	-153.5	71.1	0	0	0	112
1221	Y	30	Very low	30	Very low	201 Å²	201	143.6 Å²	143.6	79%	0.788	76%	0.757	S	S	*	*			trans	97.6	96.6	161.4	-71	-68.6	0	0	0	120.6
1222	Y	24.4	Very low	30	Very low	199 Å²	199	142.5 Å²	142.5	78%	0.78	76%	0.758	S	S	*	*			trans	-102.9	173.8	148.5	-132.8	-104.1	0	0	0	108.6
1223	W	32	Very low	30.5	Very low	220 Å²	220	144 Å²	144	83%	0.833	76%	0.761	S	S	*	*			trans	175.9	145.8	137	-92.2	118.7	0	0	0	112.4
1224	D	29	Very low	31	Very low	110 Å²	110	140.2 Å²	140.2	59%	0.588	76%	0.755	S	S	*	*			trans	-93.4	169	-172.9	-44.1	-95.6	0	0	0	114.8
1225	Q	28.7	Very low	30.8	Very low	177 Å²	177	140.1 Å²	140.1	83%	0.827	76%	0.755	S	S	*	*				172.1	166.6	114.9	-90.6	175.7	18.3	0	0	114.9
1226	D	27.9	Very low	30.3	Very low	150 Å²	150	140.5 Å²	140.5	80%	0.802	76%	0.755	S	S	*	*			trans	-77.4	163.4	-155.9	-58.7	-87	0	0	0	119.5
1227	P	39.5	Very low	30.3	Very low	114 Å²	114	145.9 Å²	145.9	74%	0.74	76%	0.764	S	S	*	*			trans	-92.2	162.5	171.4	40.3	-37.7	0	0	0	112.9
1228	P	35.1	Very low	30.2	Very low	122 Å²	122	145 Å²	145	79%	0.792	76%	0.76	S	S	*	*				-158.6	-165.7	80.2	42.3	-19.8	0	0	0	117.6
1229	E	30.2	Very low	30.1	Very low	142 Å²	142	143 Å²	143	66%	0.664	77%	0.768	S	S	*	*			trans	90.9	111.5	161.8	-66.6	-117.2	110.4	0	0	122
1230	R	30	Very low	30	Very low	223 Å²	223	143.6 Å²	143.6	84%	0.842	78%	0.776	S	S	*	*			trans	49.3	110	133.2	-63.5	176.2	171.8	160.9	-4.2	121.7
1231	G	31.2	Very low	30	Very low	86 Å²	86	143.1 Å²	143.1	89%	0.887	78%	0.78	S	S	*	*			trans	-171	147.8	157.3	0	0	0	0	0	112.6
1232	A	33.2	Very low	30	Very low	101 Å²	101	138.9 Å²	138.9	84%	0.835	78%	0.775	S	S	*	*			trans	-109.2	157.5	-177.1	0	0	0	0	0	112.8
1233	P	39.4	Very low	30.4	Very low	120 Å²	120	132.8 Å²	132.8	78%	0.779	77%	0.766	S	S	*	*			trans	-103.5	179.5	-157.4	45	-40.2	0	0	0	113.4
1234	P	36.1	Very low	30.3	Very low	113 Å²	113	131.8 Å²	131.8	73%	0.734	77%	0.771	S	S	*	*				-146.6	169.6	81.6	39.1	-21.5	0	0	0	117.1
1235	S	26.2	Very low	30.4	Very low	103 Å²	103	130 Å²	130	72%	0.72	76%	0.761	S	S	*	*	S	Bend	trans	78.4	127.1	160.1	70.2	0	0	0	0	121.2
1236	T	25.2	Very low	30.3	Very low	132 Å²	132	127.4 Å²	127.4	81%	0.81	76%	0.76	S	S	*	*			trans	49.1	88.8	156.9	49.7	0	0	0	0	119.6
1237	F	26.4	Very low	30.5	Very low	191 Å²	191	123.4 Å²	123.4	84%	0.838	74%	0.736	S	S	*	*			trans	-154.2	178.2	137.4	-141.1	-111.5	0	0	0	114.1
1238	K	26.1	Very low	30.2	Very low	174 Å²	174	123.6 Å²	123.6	76%	0.757	72%	0.723	S	S	*	*			trans	-76.6	155.3	-173.2	-54.3	167.6	-177.9	174.1	0	113.3
1239	G	26.2	Very low	30	Very low	76 Å²	76	125.5 Å²	125.5	78%	0.784	73%	0.726	S	S	*	*			trans	107.1	109.8	138.1	0	0	0	0	0	116.7
1240	T	25.5	Very low	30	Very low	138 Å²	138	121.9 Å²	121.9	85%	0.847	73%	0.727	S	S	*	*			trans	-124.1	148.6	152.1	42	0	0	0	0	108.6
1241	P	28.1	Very low	30	Very low	113 Å²	113	119.6 Å²	119.6	73%	0.734	73%	0.73	S	S	*	*			trans	-119.7	-156.1	-151.3	39.3	-23	0	0	0	112.7
1242	T	28.9	Very low	30.1	Very low	113 Å²	113	123.3 Å²	123.3	69%	0.693	73%	0.73	S	S	*	*			trans	81.8	133.6	175.9	73.9	0	0	0	0	115.4
1243	A	34.6	Very low	30.1	Very low	71 Å²	71	124.4 Å²	124.4	59%	0.587	73%	0.726	S	S	*	*			cis	-144.4	104.7	-18	0	0	0	0	0	112.1
1244	E	28.6	Very low	29.7	Very low	199 Å²	199	124.2 Å²	124.2	93%	0.93	72%	0.724	S	S	*	*			trans	-63.6	141	155.1	-61.3	179.7	126.6	0	0	109.2
1245	N	30.7	Very low	29.5	Very low	71 Å²	71	128.9 Å²	128.9	38%	0.38	75%	0.751	S	S	.	*			trans	-138.7	115.2	165.9	-159.4	72	0	0	0	107.6	K921 E1247	K921-N1245 PolarHBondContact NZ-OD1 2.82Å; N1245-E1247 VanDerWaalsContact C-N 3.34Å; N1245-E1247 PolarHBondContact ND2-OE1 2.89Å; N1245-E1247 PolarHBondContact O-N 3.25Å
1246	P	27.5	Very low	29.7	Very low	124 Å²	124	130.2 Å²	130.2	81%	0.805	75%	0.752	S	S	*	*			trans	-82	69.9	-163.8	32.8	-37.1	0	0	0	113.3
1247	E	32	Very low	29.9	Very low	65 Å²	65	130.1 Å²	130.1	30%	0.304	75%	0.749	S	S	.	*			trans	-114.7	31.7	177.6	-72.6	-173.6	-120.6	0	0	113.8	K887 A928 N1245	K887-E1247 WeakPolarHBondContact CE-OE2 3.03Å; K887-E1247 IonicContact NZ-OE1 2.87Å; K887-E1247 PolarHBondContact NZ-OE1 3.41Å; K887-E1247 IonicContact NZ-OE2 3.46Å; K887-E1247 PolarHBondContact NZ-OE2 3Å; A928-E1247 PolarHBondContact N-OE2 2.94Å; N1245-E1247 VanDerWaalsContact C-N 3.34Å; N1245-E1247 PolarHBondContact ND2-OE1 2.89Å; N1245-E1247 PolarHBondContact O-N 3.25Å
1248	Y	32.9	Very low	30.1	Very low	119 Å²	119	126.7 Å²	126.7	47%	0.467	74%	0.744	S	S	.	*			trans	-104.4	71.6	170.8	-80.2	-75.5	0	0	0	111.6	K883 V884	K883-Y1248 HydrophobicContact CB-CD1 3.74Å; K883-Y1248 HydrophobicContact CB-CE1 3.83Å; K883-Y1248 HydrophobicContact CD-CD1 4.17Å; K883-Y1248 HydrophobicContact CD-CG 4.41Å; K883-Y1248 HydrophobicContact CG-CD1 4.03Å; V884-Y1248 WeakPolarHBondContact O-CE1 3.49Å
1249	L	31.7	Very low	30.4	Very low	161 Å²	161	123.9 Å²	123.9	84%	0.843	74%	0.744	S	S	*	*			trans	-78.5	122.6	171.8	-72.6	170.3	0	0	0	110.8
1250	G	29.6	Very low	30.6	Very low	67 Å²	67	126.9 Å²	126.9	69%	0.691	74%	0.741	S	S	*	*			trans	-81.5	153.4	163.6	0	0	0	0	0	110.9
1251	L	29.9	Very low	31	Very low	174 Å²	174	126.2 Å²	126.2	91%	0.911	73%	0.734	S	S	*	*			trans	-128.1	122.8	165.3	-70.4	174.2	0	0	0	107
1252	D	33.6	Very low	31.2	Very low	164 Å²	164	127.1 Å²	127.1	88%	0.877	73%	0.734	S	S	*	*			trans	-78.7	163.3	-167.1	-84.6	-56.8	0	0	0	114.9
1253	V	33.5	Very low	31.3	Very low	125 Å²	125	128.2 Å²	128.2	76%	0.758	74%	0.737	S	S	*	*			trans	-71.9	137.8	-174.3	-178.3	0	0	0	0	111.7	V1255	V1253-V1255 PolarHBondContact O-N 3.46Å
1254	P	29.8	Very low	31.1	Very low	115 Å²	115	133 Å²	133	75%	0.747	75%	0.75	S	S	*	*			trans	-82.9	109.5	169	32.4	-31.9	0	0	0	112
1255	V	32.9	Very low	31.3	Very low	212 Å²	212	127 Å²	127	100%	1.285	73%	0.733	S	S	*	*			trans	46.1	0	162.8	-169	0	0	0	0	116.4	V1253	V1253-V1255 PolarHBondContact O-N 3.46Å

Retrieved 1,255 of 1,255 residues in 500.3 ms (Link to these results)

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