A0A3Q0KBY2_SCHMA Loading...

C2H2-type domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KBY2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,052 aa.

						>A0A3Q0KBY2_SCHMA|A0A3Q0KBY2
MYTCELCGLSFKTEQESYEHDISEKHHKKFEENEFNYGRQPSHFCSICYCGNIQGYKCWINHTQNSRHKANLKYFYEFYGTDPKTVLVQEPVQSSREPKTCQKSDLVSNGFRTHNGKRSSDTFQSSHNKCNRNISSTQLSKKSKISNCSDVHEGGMMLNILETIDKDSVNTRKQEKQTQKITTINSKGKHQSVSKRLTNESRYKVSKSTSFNRCDSKKMKSGRETYSPVYPETLECLPTSVKPITIQPPNEDTNKTGELQCMEKALIISQELQSLKIKQDELEEKLRTTETELNLVKAKRRELKQERSNLLQGLNHSDSDIESHVNTSRSKPTDIRQNVSLPIQKSHVKVVASIAPLDTPDVGTSHPTHFMPNPKAVNKQQIDIPSSLSSDVTSNQQPELNQSKSAITSSPSVPETTFNVPTTLRVPPSDASAAQQETVSDPFNPIPTSSNSNGVDLERLALIRQALQSPNSWQFTFDEVDQMLKQAAAKNSAKTVNQNVGSLGHLSQTRPTSDLPLTVEDKITPPIKGEPVIYPTAKIKEQSINSNEKTHTVTFDSFKTTDPPSLPLVPSILRMSPPKQVNKSHISSSSSTSSSSSDDDDGDNDNHEKTCKDKKISFPFRAKVETDMSCPLLKSESKSSGTLSNKGNIKIGEFHAFGGCATAVIDMAINPITNVAYIGGQNGTIVECDLKTHHCISKLPPRDASITKLCLDPNGESIYVGYYDHYFGEYSLQTSLLVHKNIFSSRIAALAVAPSPEVPFIFLGLFNGDILRYNLGTHAIGFLCRHTTGCYQSDFPNDKTKTCLKQQSQTPDSNESAGITSLCLVQSGTSLLLIVAGLDRSISIRSASDGTLMCCIQSSVQKGPPQGISCLPKGSFFSSYSDRSIRIYNWKTGSSELTFHVHKISSSCVMQRYIAVGDSEGAVRVYKFQSNGLPVTRPVKVYFISTRGAVTSLASVGDTLIAGSLDGSVTVIVVNEPASNYVCLYGKKYGENCGIGFMDRRDLIHHVLNEHIKFESNKTVMCGWSSGRCRVRFTETQTMKSISDHLLTHIPD
					

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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	61.3	Low	79.7	Confident	177 Å²	177	81.5 Å²	81.5	87%	0.872	46%	0.457	S	S	*	.				0	106.3	0	-107.3	-175.6	176.1	0	0	107.6	F11	M1-F11 CarbonylContact C-O 3.59Å; M1-F11 WeakPolarHBondContact CA-O 3.38Å
2	Y	74.4	Confident	79.4	Confident	79 Å²	79	88.8 Å²	88.8	31%	0.31	48%	0.48	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	136.8	-177	-60.7	-97.6	0	0	0	107.3	S10 F11 T13 E14	Y2-S10 CarbonylContact O-C 3.56Å; Y2-S10 WeakPolarHBondContact O-CA 3.39Å; Y2-F11 PolarHBondContact N-O 3.22Å; Y2-F11 PolarHBondContact O-N 3.16Å; Y2-T13 VanDerWaalsContact CD2-O 3.24Å; Y2-T13 WeakPolarHBondContact CD2-O 3.42Å; Y2-E14 HydrophobicContact CD1-CG 3.92Å; Y2-E14 HydrophobicContact CD2-CB 4.37Å; Y2-E14 HydrophobicContact CE1-CB 3.92Å; Y2-E14 VanDerWaalsContact CE1-CD 3.48Å; Y2-E14 HydrophobicContact CE1-CG 3.39Å; Y2-E14 WeakPolarHBondContact CE1-OE2 3.37Å; Y2-E14 HydrophobicContact CE2-CB 3.79Å; Y2-E14 HydrophobicContact CE2-CG 4.2Å; Y2-E14 HydrophobicContact CG-CG 4.5Å; Y2-E14 PolarHBondContact OH-OE2 3.07Å
3	T	80.4	Confident	79.2	Confident	95 Å²	95	87.1 Å²	87.1	58%	0.583	47%	0.474	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-126.6	115.3	-171.3	48	0	0	0	0	110.5	E5 L9	T3-E5 PolarHBondContact O-N 3.43Å; T3-L9 WeakPolarHBondContact CA-O 3.45Å
4	C	81.4	Confident	78.9	Confident	11 Å²	11	84.1 Å²	84.1	7%	0.074	46%	0.456	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	109.5	173.8	173.8	0	0	0	0	109.8	L6 C7 G8 L9 F11 H20 H26	C4-L6 VanDerWaalsContact C-N 3.33Å; C4-L6 PolarHBondContact O-N 3.04Å; C4-C7 HydrophobicContact CB-CB 4.15Å; C4-C7 PolarHBondContact O-N 3.25Å; C4-C7 VanDerWaalsContact SG-CB 3.59Å; C4-C7 PolarHBondContact SG-N 3.37Å; C4-C7 VanDerWaalsContact SG-N 3.44Å; C4-G8 PolarHBondContact O-N 3.08Å; C4-L9 PolarHBondContact N-O 3.35Å; C4-F11 HydrophobicContact CB-CE2 4.15Å; C4-H20 PolarHBondContact SG-NE2 2.96Å; C4-H26 PolarHBondContact SG-CE1 2.96Å; C4-H26 PolarHBondContact SG-ND1 3.46Å; C4-H26 VanDerWaalsContact SG-ND1 3.45Å
5	E	77.8	Confident	78.8	Confident	188 Å²	188	84.1 Å²	84.1	88%	0.879	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-33.4	-177.4	-58.6	-169.6	159.8	0	0	112.7	T3 C7	T3-E5 PolarHBondContact O-N 3.43Å; E5-C7 VanDerWaalsContact C-N 3.32Å; E5-C7 PolarHBondContact O-N 3.16Å
6	L	81.8	Confident	78.9	Confident	68 Å²	68	83.5 Å²	83.5	36%	0.356	45%	0.445	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-31.5	175	-65.9	175.4	0	0	0	112.8	C4 F30 N33	C4-L6 VanDerWaalsContact C-N 3.33Å; C4-L6 PolarHBondContact O-N 3.04Å; L6-F30 HydrophobicContact CD1-CB 4.22Å; L6-F30 HydrophobicContact CD1-CD2 4.25Å; L6-N33 VanDerWaalsContact CD2-ND2 3.3Å; L6-N33 WeakPolarHBondContact CD2-ND2 3.37Å
7	C	83.5	Confident	79.1	Confident	15 Å²	15	79.3 Å²	79.3	10%	0.101	42%	0.424	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.4	-21.8	-171.8	-70.8	0	0	0	0	114.5	C4 E5 L9 H20 K29	C4-C7 HydrophobicContact CB-CB 4.15Å; C4-C7 PolarHBondContact O-N 3.25Å; C4-C7 VanDerWaalsContact SG-CB 3.59Å; C4-C7 PolarHBondContact SG-N 3.37Å; C4-C7 VanDerWaalsContact SG-N 3.44Å; E5-C7 VanDerWaalsContact C-N 3.32Å; E5-C7 PolarHBondContact O-N 3.16Å; C7-L9 VanDerWaalsContact C-N 3.29Å; C7-L9 HydrophobicContact CB-CB 4.43Å; C7-L9 HydrophobicContact CB-CD1 4.16Å; C7-L9 HydrophobicContact CB-CG 4.06Å; C7-H20 VanDerWaalsContact CB-NE2 3.3Å; C7-H20 WeakPolarHBondContact CB-NE2 3.16Å; C7-H20 PolarHBondContact SG-CE1 3.48Å; C7-H20 PolarHBondContact SG-NE2 3.36Å; C7-K29 HydrophobicContact CB-CD 4.37Å; C7-K29 PolarHBondContact O-NZ 3.12Å; C7-K29 VanDerWaalsContact O-NZ 3.16Å; C7-K29 VanDerWaalsContact SG-CD 3.51Å
8	G	83.4	Confident	79.2	Confident	71 Å²	71	77.7 Å²	77.7	73%	0.732	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	73	19	-173	0	0	0	0	0	113.7	C4	C4-G8 PolarHBondContact O-N 3.08Å
9	L	85.1	Confident	79.4	Confident	84 Å²	84	78.3 Å²	78.3	44%	0.44	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	141.9	-174.8	-63.4	178.9	0	0	0	111.5	T3 C4 C7 F11	T3-L9 WeakPolarHBondContact CA-O 3.45Å; C4-L9 PolarHBondContact N-O 3.35Å; C7-L9 VanDerWaalsContact C-N 3.29Å; C7-L9 HydrophobicContact CB-CB 4.43Å; C7-L9 HydrophobicContact CB-CD1 4.16Å; C7-L9 HydrophobicContact CB-CG 4.06Å; L9-F11 HydrophobicContact CB-CE1 4.24Å; L9-F11 HydrophobicContact CB-CE2 3.91Å; L9-F11 HydrophobicContact CB-CZ 3.5Å; L9-F11 VanDerWaalsContact CB-CZ 3.5Å; L9-F11 HydrophobicContact CD1-CZ 4.04Å; L9-F11 HydrophobicContact CG-CZ 4.43Å
10	S	83.1	Confident	79.8	Confident	78 Å²	78	75.3 Å²	75.3	55%	0.545	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	120.4	179.5	63.5	0	0	0	0	111.8	Y2	Y2-S10 CarbonylContact O-C 3.56Å; Y2-S10 WeakPolarHBondContact O-CA 3.39Å
11	F	84.9	Confident	79.9	Confident	31 Å²	31	73.7 Å²	73.7	14%	0.136	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	148.8	-177.4	-54.2	-70.3	0	0	0	111.3	M1 Y2 C4 L9 E16 H20	M1-F11 CarbonylContact C-O 3.59Å; M1-F11 WeakPolarHBondContact CA-O 3.38Å; Y2-F11 PolarHBondContact N-O 3.22Å; Y2-F11 PolarHBondContact O-N 3.16Å; C4-F11 HydrophobicContact CB-CE2 4.15Å; L9-F11 HydrophobicContact CB-CE1 4.24Å; L9-F11 HydrophobicContact CB-CE2 3.91Å; L9-F11 HydrophobicContact CB-CZ 3.5Å; L9-F11 VanDerWaalsContact CB-CZ 3.5Å; L9-F11 HydrophobicContact CD1-CZ 4.04Å; L9-F11 HydrophobicContact CG-CZ 4.43Å; F11-E16 HydrophobicContact CB-CB 3.76Å; F11-E16 HydrophobicContact CD1-CB 3.9Å; F11-E16 HydrophobicContact CG-CB 4.08Å; F11-H20 HydrophobicContact CE1-CB 3.91Å; F11-H20 HydrophobicContact CE2-CB 3.78Å; F11-H20 AromaticContact CE2-CD2 3.53Å; F11-H20 AromaticContact CE2-CG 3.66Å; F11-H20 HydrophobicContact CZ-CB 3.38Å; F11-H20 AromaticContact CZ-CD2 3.54Å; F11-H20 AromaticContact CZ-CG 3.23Å; F11-H20 AromaticContact CZ-ND1 3.82Å
12	K	75.8	Confident	81	Confident	169 Å²	169	66.5 Å²	66.5	74%	0.735	35%	0.352	S	S	*	.	S	Bend	trans	-78.9	-53.1	177	-66.9	174.3	-179.6	172.2	0	110.4	E16	K12-E16 WeakPolarHBondContact CA-OE2 3.49Å; K12-E16 WeakPolarHBondContact CB-OE2 3.41Å; K12-E16 PolarHBondContact N-OE2 2.93Å
13	T	77.2	Confident	81.6	Confident	66 Å²	66	64.2 Å²	64.2	41%	0.405	35%	0.347	S	S	.	.	S	Bend	trans	-95.3	166.8	-179.1	72.1	0	0	0	0	111.7	Y2 E16	Y2-T13 VanDerWaalsContact CD2-O 3.24Å; Y2-T13 WeakPolarHBondContact CD2-O 3.42Å; T13-E16 PolarHBondContact N-OE2 2.84Å; T13-E16 VanDerWaalsContact N-OE2 3.17Å; T13-E16 WeakPolarHBondContact OG1-CB 3.36Å; T13-E16 VanDerWaalsContact OG1-CG 3.26Å; T13-E16 WeakPolarHBondContact OG1-CG 3.32Å; T13-E16 PolarHBondContact OG1-N 3.11Å; T13-E16 VanDerWaalsContact OG1-N 3.09Å
14	E	74.2	Confident	81.9	Confident	45 Å²	45	64.9 Å²	64.9	21%	0.21	34%	0.344	C	S	.	.	H	α-helix	trans	-76.7	-35.8	173.8	-156	167	141.7	0	0	111.5	Y2 E16 S17 Y18	Y2-E14 HydrophobicContact CD1-CG 3.92Å; Y2-E14 HydrophobicContact CD2-CB 4.37Å; Y2-E14 HydrophobicContact CE1-CB 3.92Å; Y2-E14 VanDerWaalsContact CE1-CD 3.48Å; Y2-E14 HydrophobicContact CE1-CG 3.39Å; Y2-E14 WeakPolarHBondContact CE1-OE2 3.37Å; Y2-E14 HydrophobicContact CE2-CB 3.79Å; Y2-E14 HydrophobicContact CE2-CG 4.2Å; Y2-E14 HydrophobicContact CG-CG 4.5Å; Y2-E14 PolarHBondContact OH-OE2 3.07Å; E14-E16 PolarHBondContact O-N 3.26Å; E14-S17 WeakPolarHBondContact O-CA 3.43Å; E14-S17 VanDerWaalsContact O-CB 3.31Å; E14-S17 WeakPolarHBondContact O-CB 3.45Å; E14-S17 PolarHBondContact O-N 2.75Å; E14-Y18 HydrophobicContact CB-CE2 4.49Å; E14-Y18 HydrophobicContact CG-CD2 4.02Å; E14-Y18 HydrophobicContact CG-CE2 3.46Å; E14-Y18 VanDerWaalsContact CG-CE2 3.46Å; E14-Y18 WeakPolarHBondContact O-CD2 3.47Å; E14-Y18 PolarHBondContact O-N 3.08Å; E14-Y18 WeakPolarHBondContact OE1-CE2 3.33Å; E14-Y18 PolarHBondContact OE1-OH 3.13Å
15	Q	77.7	Confident	82.1	Confident	84 Å²	84	72.7 Å²	72.7	39%	0.393	38%	0.376	S	S	.	.	H	α-helix	trans	-53.5	-50.9	172.4	177.2	179.5	-5.5	0	0	112.1	S17 Y18 E19 Y76	Q15-S17 PolarHBondContact O-N 3.09Å; Q15-S17 VanDerWaalsContact O-N 3.13Å; Q15-Y18 PolarHBondContact O-N 2.98Å; Q15-Y18 VanDerWaalsContact O-N 3.11Å; Q15-E19 HydrophobicContact CG-CG 4.26Å; Q15-E19 WeakPolarHBondContact CG-OE1 3.29Å; Q15-E19 PolarHBondContact NE2-OE1 3.26Å; Q15-E19 WeakPolarHBondContact O-CG 3.46Å; Q15-E19 PolarHBondContact O-N 2.85Å; Q15-Y76 HydrophobicContact CB-CE1 4.48Å; Q15-Y76 HydrophobicContact CG-CD1 4.46Å; Q15-Y76 HydrophobicContact CG-CE1 3.88Å; Q15-Y76 HydrophobicContact CG-CE2 4.41Å
16	E	80.9	Confident	82.6	Confident	75 Å²	75	64.7 Å²	64.7	35%	0.35	34%	0.339	S	S	.	.	H	α-helix	trans	-54.7	-32.3	176.8	-78.7	171.3	175.6	0	0	112.2	F11 K12 T13 E14 H20	F11-E16 HydrophobicContact CB-CB 3.76Å; F11-E16 HydrophobicContact CD1-CB 3.9Å; F11-E16 HydrophobicContact CG-CB 4.08Å; K12-E16 WeakPolarHBondContact CA-OE2 3.49Å; K12-E16 WeakPolarHBondContact CB-OE2 3.41Å; K12-E16 PolarHBondContact N-OE2 2.93Å; T13-E16 PolarHBondContact N-OE2 2.84Å; T13-E16 VanDerWaalsContact N-OE2 3.17Å; T13-E16 WeakPolarHBondContact OG1-CB 3.36Å; T13-E16 VanDerWaalsContact OG1-CG 3.26Å; T13-E16 WeakPolarHBondContact OG1-CG 3.32Å; T13-E16 PolarHBondContact OG1-N 3.11Å; T13-E16 VanDerWaalsContact OG1-N 3.09Å; E14-E16 PolarHBondContact O-N 3.26Å; E16-H20 WeakPolarHBondContact O-CB 3.48Å; E16-H20 PolarHBondContact O-N 2.82Å; E16-H20 VanDerWaalsContact O-N 3.16Å
17	S	81.6	Confident	82.9	Confident	12 Å²	12	62.1 Å²	62.1	8%	0.084	33%	0.325	C	S	.	.	H	α-helix	trans	-75.1	-43.6	177.5	-157.7	0	0	0	0	112.2	E14 Q15 H20 D21	E14-S17 WeakPolarHBondContact O-CA 3.43Å; E14-S17 VanDerWaalsContact O-CB 3.31Å; E14-S17 WeakPolarHBondContact O-CB 3.45Å; E14-S17 PolarHBondContact O-N 2.75Å; Q15-S17 PolarHBondContact O-N 3.09Å; Q15-S17 VanDerWaalsContact O-N 3.13Å; S17-H20 WeakPolarHBondContact O-CB 3.43Å; S17-H20 PolarHBondContact O-N 3.02Å; S17-D21 PolarHBondContact O-N 2.78Å
18	Y	80.6	Confident	83	Confident	51 Å²	51	66.4 Å²	66.4	20%	0.2	34%	0.342	C	S	.	.	H	α-helix	trans	-70.7	-36.2	177.6	-67.7	-60.1	0	0	0	112.6	E14 Q15 H20 D21 I22 F75	E14-Y18 HydrophobicContact CB-CE2 4.49Å; E14-Y18 HydrophobicContact CG-CD2 4.02Å; E14-Y18 HydrophobicContact CG-CE2 3.46Å; E14-Y18 VanDerWaalsContact CG-CE2 3.46Å; E14-Y18 WeakPolarHBondContact O-CD2 3.47Å; E14-Y18 PolarHBondContact O-N 3.08Å; E14-Y18 WeakPolarHBondContact OE1-CE2 3.33Å; E14-Y18 PolarHBondContact OE1-OH 3.13Å; Q15-Y18 PolarHBondContact O-N 2.98Å; Q15-Y18 VanDerWaalsContact O-N 3.11Å; Y18-H20 PolarHBondContact O-N 3.1Å; Y18-D21 PolarHBondContact O-N 3.13Å; Y18-D21 VanDerWaalsContact O-N 3.16Å; Y18-I22 WeakPolarHBondContact O-CG1 3.42Å; Y18-I22 PolarHBondContact O-N 3.47Å; Y18-F75 HydrophobicContact CD1-CE1 4.42Å; Y18-F75 HydrophobicContact CD1-CZ 4.3Å; Y18-F75 AromaticContact CD2-CE1 3.35Å; Y18-F75 HydrophobicContact CD2-CE1 3.35Å; Y18-F75 AromaticContact CD2-CZ 3.73Å; Y18-F75 HydrophobicContact CD2-CZ 3.73Å; Y18-F75 HydrophobicContact CE1-CZ 4.08Å; Y18-F75 AromaticContact CE2-CE1 3.5Å; Y18-F75 HydrophobicContact CE2-CE1 3.5Å; Y18-F75 AromaticContact CE2-CZ 3.41Å; Y18-F75 HydrophobicContact CE2-CZ 3.41Å; Y18-F75 VanDerWaalsContact CE2-CZ 3.41Å; Y18-F75 AromaticContact CG-CE1 3.84Å; Y18-F75 HydrophobicContact CG-CE1 3.84Å; Y18-F75 HydrophobicContact CG-CZ 4.15Å; Y18-F75 AromaticContact CZ-CZ 3.65Å
19	E	83.6	Confident	83.1	Confident	88 Å²	88	67.3 Å²	67.3	41%	0.411	33%	0.326	S	S	.	.	H	α-helix	trans	-61.3	-35.9	171	-71.1	-177.7	178.3	0	0	111.7	Q15 S23 Y76	Q15-E19 HydrophobicContact CG-CG 4.26Å; Q15-E19 WeakPolarHBondContact CG-OE1 3.29Å; Q15-E19 PolarHBondContact NE2-OE1 3.26Å; Q15-E19 WeakPolarHBondContact O-CG 3.46Å; Q15-E19 PolarHBondContact O-N 2.85Å; E19-S23 PolarHBondContact O-N 3.02Å; E19-Y76 WeakPolarHBondContact CG-OH 3.39Å; E19-Y76 PolarHBondContact OE1-OH 3.43Å
20	H	87.1	Confident	83.2	Confident	18 Å²	18	65.7 Å²	65.7	8%	0.083	32%	0.316	C	S	.	.	H	α-helix	trans	-67.6	-44.6	170.9	173.6	61.9	0	0	0	112.5	C4 C7 F11 E16 S17 Y18 I22 S23 H26	C4-H20 PolarHBondContact SG-NE2 2.96Å; C7-H20 VanDerWaalsContact CB-NE2 3.3Å; C7-H20 WeakPolarHBondContact CB-NE2 3.16Å; C7-H20 PolarHBondContact SG-CE1 3.48Å; C7-H20 PolarHBondContact SG-NE2 3.36Å; F11-H20 HydrophobicContact CE1-CB 3.91Å; F11-H20 HydrophobicContact CE2-CB 3.78Å; F11-H20 AromaticContact CE2-CD2 3.53Å; F11-H20 AromaticContact CE2-CG 3.66Å; F11-H20 HydrophobicContact CZ-CB 3.38Å; F11-H20 AromaticContact CZ-CD2 3.54Å; F11-H20 AromaticContact CZ-CG 3.23Å; F11-H20 AromaticContact CZ-ND1 3.82Å; E16-H20 WeakPolarHBondContact O-CB 3.48Å; E16-H20 PolarHBondContact O-N 2.82Å; E16-H20 VanDerWaalsContact O-N 3.16Å; S17-H20 WeakPolarHBondContact O-CB 3.43Å; S17-H20 PolarHBondContact O-N 3.02Å; Y18-H20 PolarHBondContact O-N 3.1Å; H20-I22 VanDerWaalsContact C-N 3.32Å; H20-I22 PolarHBondContact O-N 3.36Å; H20-S23 WeakPolarHBondContact O-CB 3.35Å; H20-S23 PolarHBondContact O-N 3.21Å; H20-S23 PolarHBondContact O-OG 3.44Å; H20-H26 AromaticContact CD2-ND1 3.43Å; H20-H26 PolarHBondContact CD2-ND1 3.39Å; H20-H26 AromaticContact CE1-ND1 3.9Å; H20-H26 AromaticContact NE2-CG 3.89Å; H20-H26 AromaticContact NE2-ND1 3.15Å; H20-H26 PolarHBondContact NE2-ND1 2.65Å; H20-H26 VanDerWaalsContact NE2-ND1 3.15Å; H20-H26 WeakPolarHBondContact O-CB 3.31Å
21	D	81.2	Confident	83.4	Confident	42 Å²	42	63.6 Å²	63.6	23%	0.225	30%	0.297	C	S	.	.	H	α-helix	trans	-68.3	-28.2	-176.9	-66.6	-13.7	0	0	0	113.3	S17 Y18 H26	S17-D21 PolarHBondContact O-N 2.78Å; Y18-D21 PolarHBondContact O-N 3.13Å; Y18-D21 VanDerWaalsContact O-N 3.16Å; D21-H26 IonicContact OD1-CE1 2.99Å; D21-H26 PolarHBondContact OD1-CE1 2.91Å; D21-H26 IonicContact OD1-ND1 3.92Å; D21-H26 PolarHBondContact OD1-ND1 2.94Å; D21-H26 VanDerWaalsContact OD1-ND1 3.1Å
22	I	85.4	Confident	83.3	Confident	26 Å²	26	66.5 Å²	66.5	13%	0.133	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.1	2.9	168.5	70.4	178.4	0	0	0	113.9	Y18 H20 I47 W59 L72	Y18-I22 WeakPolarHBondContact O-CG1 3.42Å; Y18-I22 PolarHBondContact O-N 3.47Å; H20-I22 VanDerWaalsContact C-N 3.32Å; H20-I22 PolarHBondContact O-N 3.36Å; I22-I47 HydrophobicContact CD1-CD1 4.09Å; I22-I47 HydrophobicContact CG2-CD1 3.55Å; I22-I47 HydrophobicContact CG2-CG1 3.94Å; I22-W59 VanDerWaalsContact O-CH2 3.28Å; I22-W59 WeakPolarHBondContact O-CH2 3.46Å; I22-L72 HydrophobicContact CD1-CD1 4.06Å; I22-L72 HydrophobicContact CD1-CD2 4.3Å
23	S	87.4	Confident	83.8	Confident	31 Å²	31	60.9 Å²	60.9	22%	0.217	29%	0.289	C	S	.	.	S	Bend	trans	-75.9	142.8	179.3	77.9	0	0	0	0	112	E19 H20 K25 H26 H27	E19-S23 PolarHBondContact O-N 3.02Å; H20-S23 WeakPolarHBondContact O-CB 3.35Å; H20-S23 PolarHBondContact O-N 3.21Å; H20-S23 PolarHBondContact O-OG 3.44Å; S23-K25 PolarHBondContact O-N 3.39Å; S23-K25 VanDerWaalsContact O-N 3.15Å; S23-H26 PolarHBondContact O-N 2.94Å; S23-H26 PolarHBondContact OG-N 3.33Å; S23-H27 PolarHBondContact O-N 3.07Å
24	E	86.8	Confident	83.9	Confident	109 Å²	109	59.2 Å²	59.2	51%	0.509	28%	0.277	S	S	.	.	H	α-helix	trans	-53.2	-36.4	174.2	-173.9	178.9	-172.3	0	0	112.1	H26 H27 K28 Y56 I60	E24-H26 PolarHBondContact O-N 2.65Å; E24-H27 PolarHBondContact O-N 3.5Å; E24-K28 VanDerWaalsContact O-CB 3.3Å; E24-K28 WeakPolarHBondContact O-CB 3.36Å; E24-K28 PolarHBondContact O-N 3.38Å; E24-Y56 VanDerWaalsContact CD-OH 3.27Å; E24-Y56 HydrophobicContact CG-CE2 4.48Å; E24-Y56 WeakPolarHBondContact CG-OH 3.42Å; E24-Y56 PolarHBondContact OE1-OH 3.15Å; E24-I60 HydrophobicContact CG-CD1 4.05Å
25	K	85.2	Confident	84.3	Confident	175 Å²	175	62.9 Å²	62.9	76%	0.761	29%	0.292	S	S	*	.	H	α-helix	trans	-65.7	-33.8	178.4	-63.4	-179.4	-177.1	175	0	113.3	S23	S23-K25 PolarHBondContact O-N 3.39Å; S23-K25 VanDerWaalsContact O-N 3.15Å
26	H	87.6	Confident	84.5	Confident	21 Å²	21	65.5 Å²	65.5	10%	0.097	31%	0.309	C	S	.	.	H	α-helix	trans	-73.9	-51.7	173.8	-178.3	126.8	0	0	0	110.1	C4 H20 D21 S23 E24 K28 K29 F30	C4-H26 PolarHBondContact SG-CE1 2.96Å; C4-H26 PolarHBondContact SG-ND1 3.46Å; C4-H26 VanDerWaalsContact SG-ND1 3.45Å; H20-H26 AromaticContact CD2-ND1 3.43Å; H20-H26 PolarHBondContact CD2-ND1 3.39Å; H20-H26 AromaticContact CE1-ND1 3.9Å; H20-H26 AromaticContact NE2-CG 3.89Å; H20-H26 AromaticContact NE2-ND1 3.15Å; H20-H26 PolarHBondContact NE2-ND1 2.65Å; H20-H26 VanDerWaalsContact NE2-ND1 3.15Å; H20-H26 WeakPolarHBondContact O-CB 3.31Å; D21-H26 IonicContact OD1-CE1 2.99Å; D21-H26 PolarHBondContact OD1-CE1 2.91Å; D21-H26 IonicContact OD1-ND1 3.92Å; D21-H26 PolarHBondContact OD1-ND1 2.94Å; D21-H26 VanDerWaalsContact OD1-ND1 3.1Å; S23-H26 PolarHBondContact O-N 2.94Å; S23-H26 PolarHBondContact OG-N 3.33Å; E24-H26 PolarHBondContact O-N 2.65Å; H26-K28 VanDerWaalsContact C-N 3.28Å; H26-K28 PolarHBondContact O-N 3.29Å; H26-K29 WeakPolarHBondContact O-CB 3.36Å; H26-K29 PolarHBondContact O-N 2.95Å; H26-F30 PolarHBondContact O-N 2.93Å
27	H	88.3	Confident	84.3	Confident	13 Å²	13	68.8 Å²	68.8	6%	0.06	32%	0.319	C	S	.	.	H	α-helix	trans	-63.6	-34.5	-174.1	-160.9	64.8	0	0	0	112.7	S23 E24 F30 E31 H43 W59	S23-H27 PolarHBondContact O-N 3.07Å; E24-H27 PolarHBondContact O-N 3.5Å; H27-F30 AromaticContact NE2-CD1 3.9Å; H27-F30 AromaticContact NE2-CE1 3.92Å; H27-F30 WeakPolarHBondContact O-CB 3.42Å; H27-F30 PolarHBondContact O-N 3.23Å; H27-E31 PolarHBondContact O-N 3.06Å; H27-H43 WeakPolarHBondContact NE2-CA 3.37Å; H27-H43 AromaticContact NE2-ND1 3.71Å; H27-W59 HydrophobicContact CB-CD2 4.46Å; H27-W59 HydrophobicContact CB-CE3 4.11Å; H27-W59 HydrophobicContact CB-CH2 3.48Å; H27-W59 VanDerWaalsContact CB-CH2 3.48Å; H27-W59 HydrophobicContact CB-CZ2 3.87Å; H27-W59 HydrophobicContact CB-CZ3 3.62Å; H27-W59 AromaticContact CD2-CD2 3.48Å; H27-W59 VanDerWaalsContact CD2-CD2 3.48Å; H27-W59 AromaticContact CD2-CE2 3.84Å; H27-W59 AromaticContact CD2-CE3 3.58Å; H27-W59 AromaticContact CD2-CG 3.85Å; H27-W59 AromaticContact CE1-CE2 3.82Å; H27-W59 AromaticContact CE1-CZ2 3.65Å; H27-W59 AromaticContact CG-CD2 3.76Å; H27-W59 AromaticContact CG-CE2 3.66Å; H27-W59 AromaticContact CG-CE3 3.83Å; H27-W59 AromaticContact CG-CH2 3.75Å; H27-W59 AromaticContact CG-CZ2 3.67Å; H27-W59 AromaticContact CG-CZ3 3.83Å; H27-W59 AromaticContact ND1-CE2 3.54Å; H27-W59 AromaticContact ND1-CZ2 3.64Å; H27-W59 AromaticContact ND1-NE1 3.77Å; H27-W59 AromaticContact NE2-CD1 3.7Å; H27-W59 AromaticContact NE2-NE1 3.53Å
28	K	86.3	Confident	83.7	Confident	105 Å²	105	71.7 Å²	71.7	46%	0.457	35%	0.35	S	S	.	.	H	α-helix	trans	-65	-41.2	172	-168.5	179.3	178.7	-168	0	112.9	E24 H26 F30 E31 E32 Y56	E24-K28 VanDerWaalsContact O-CB 3.3Å; E24-K28 WeakPolarHBondContact O-CB 3.36Å; E24-K28 PolarHBondContact O-N 3.38Å; H26-K28 VanDerWaalsContact C-N 3.28Å; H26-K28 PolarHBondContact O-N 3.29Å; K28-F30 VanDerWaalsContact C-N 3.29Å; K28-F30 PolarHBondContact O-N 3.43Å; K28-E31 PolarHBondContact O-N 3.34Å; K28-E32 WeakPolarHBondContact CE-OE1 3.11Å; K28-E32 IonicContact NZ-OE1 3.87Å; K28-E32 WeakPolarHBondContact O-CG 3.24Å; K28-E32 PolarHBondContact O-N 3.48Å; K28-Y56 HydrophobicContact CB-CE2 4.01Å; K28-Y56 HydrophobicContact CG-CE2 4.42Å
29	K	85.9	Confident	83.6	Confident	91 Å²	91	75 Å²	75	40%	0.396	36%	0.363	S	S	.	.	H	α-helix	trans	-63.7	-34.8	172.8	-85.9	-176.9	163.8	-162.2	0	112.1	C7 H26 N33	C7-K29 HydrophobicContact CB-CD 4.37Å; C7-K29 PolarHBondContact O-NZ 3.12Å; C7-K29 VanDerWaalsContact O-NZ 3.16Å; C7-K29 VanDerWaalsContact SG-CD 3.51Å; H26-K29 WeakPolarHBondContact O-CB 3.36Å; H26-K29 PolarHBondContact O-N 2.95Å; K29-N33 VanDerWaalsContact O-CB 3.26Å; K29-N33 WeakPolarHBondContact O-CB 3.46Å; K29-N33 PolarHBondContact O-N 3.15Å
30	F	85.9	Confident	83.1	Confident	50 Å²	50	77.5 Å²	77.5	22%	0.219	37%	0.374	C	S	.	.	H	α-helix	trans	-63.4	-46.7	172.9	168.4	-99.9	0	0	0	111.7	L6 H26 H27 K28 N33 E34 P41	L6-F30 HydrophobicContact CD1-CB 4.22Å; L6-F30 HydrophobicContact CD1-CD2 4.25Å; H26-F30 PolarHBondContact O-N 2.93Å; H27-F30 AromaticContact NE2-CD1 3.9Å; H27-F30 AromaticContact NE2-CE1 3.92Å; H27-F30 WeakPolarHBondContact O-CB 3.42Å; H27-F30 PolarHBondContact O-N 3.23Å; K28-F30 VanDerWaalsContact C-N 3.29Å; K28-F30 PolarHBondContact O-N 3.43Å; F30-N33 PolarHBondContact O-N 3.21Å; F30-E34 HydrophobicContact CD2-CG 4.33Å; F30-E34 HydrophobicContact CE1-CG 4.47Å; F30-E34 HydrophobicContact CE2-CG 3.87Å; F30-E34 HydrophobicContact CZ-CG 3.95Å; F30-E34 PolarHBondContact O-N 3.22Å; F30-P41 HydrophobicContact CE1-CB 4.09Å
31	E	86.6	Confident	82.6	Confident	33 Å²	33	77.5 Å²	77.5	15%	0.154	38%	0.376	C	S	.	.	H	α-helix	trans	-57.1	-52.4	172	-73.3	-168.7	125.1	0	0	112	H27 K28 N33 E34 F35 P41 H43 Y56	H27-E31 PolarHBondContact O-N 3.06Å; K28-E31 PolarHBondContact O-N 3.34Å; E31-N33 PolarHBondContact O-N 2.9Å; E31-E34 PolarHBondContact O-N 3.3Å; E31-F35 HydrophobicContact CB-CD2 4.24Å; E31-F35 HydrophobicContact CB-CE2 4.08Å; E31-F35 WeakPolarHBondContact O-CD2 3.29Å; E31-F35 PolarHBondContact O-N 2.86Å; E31-P41 HydrophobicContact CG-CB 4.13Å; E31-P41 HydrophobicContact CG-CG 4.09Å; E31-H43 IonicContact OE1-CE1 3.95Å; E31-H43 PolarHBondContact OE1-CE1 3.48Å; E31-H43 VanDerWaalsContact OE1-CE1 3.23Å; E31-H43 IonicContact OE1-NE2 3.23Å; E31-Y56 WeakPolarHBondContact OE2-CD2 3.35Å
32	E	84.9	Confident	82.5	Confident	93 Å²	93	78.8 Å²	78.8	44%	0.435	39%	0.388	S	S	.	.	H	α-helix	trans	-55.8	-40	179.9	-72.9	169.2	-176.3	0	0	111.4	K28 N36	K28-E32 WeakPolarHBondContact CE-OE1 3.11Å; K28-E32 IonicContact NZ-OE1 3.87Å; K28-E32 WeakPolarHBondContact O-CG 3.24Å; K28-E32 PolarHBondContact O-N 3.48Å; E32-N36 WeakPolarHBondContact O-CB 3.43Å; E32-N36 PolarHBondContact O-N 2.98Å; E32-N36 VanDerWaalsContact O-N 3.08Å; E32-N36 PolarHBondContact O-ND2 2.72Å
33	N	84.3	Confident	82.2	Confident	51 Å²	51	78.4 Å²	78.4	27%	0.273	39%	0.386	S	S	.	.	H	α-helix	trans	-70.4	-44.7	178	-161.8	38.2	0	0	0	112.6	L6 K29 F30 E31 N36 Y37	L6-N33 VanDerWaalsContact CD2-ND2 3.3Å; L6-N33 WeakPolarHBondContact CD2-ND2 3.37Å; K29-N33 VanDerWaalsContact O-CB 3.26Å; K29-N33 WeakPolarHBondContact O-CB 3.46Å; K29-N33 PolarHBondContact O-N 3.15Å; F30-N33 PolarHBondContact O-N 3.21Å; E31-N33 PolarHBondContact O-N 2.9Å; N33-N36 WeakPolarHBondContact O-CB 3.42Å; N33-N36 PolarHBondContact O-N 3.01Å; N33-Y37 WeakPolarHBondContact O-CD2 3.28Å; N33-Y37 PolarHBondContact O-N 2.94Å; N33-Y37 VanDerWaalsContact O-N 3.1Å; N33-Y37 VanDerWaalsContact OD1-CE2 3.32Å; N33-Y37 WeakPolarHBondContact OD1-CE2 3.45Å
34	E	81.4	Confident	81.8	Confident	30 Å²	30	80.1 Å²	80.1	14%	0.14	39%	0.39	C	S	.	.	H	α-helix	trans	-65.6	-39.5	177.7	-74.5	-60.8	99.3	0	0	112.5	F30 E31 N36 Y37 G38 R39 P41	F30-E34 HydrophobicContact CD2-CG 4.33Å; F30-E34 HydrophobicContact CE1-CG 4.47Å; F30-E34 HydrophobicContact CE2-CG 3.87Å; F30-E34 HydrophobicContact CZ-CG 3.95Å; F30-E34 PolarHBondContact O-N 3.22Å; E31-E34 PolarHBondContact O-N 3.3Å; E34-N36 VanDerWaalsContact C-N 3.34Å; E34-N36 PolarHBondContact O-N 2.89Å; E34-Y37 CarbonylContact O-C 3.51Å; E34-Y37 PolarHBondContact O-N 2.9Å; E34-Y37 VanDerWaalsContact O-N 3.14Å; E34-G38 PolarHBondContact O-N 3.07Å; E34-R39 HydrophobicContact CB-CB 4.5Å; E34-R39 PolarHBondContact O-N 3.12Å; E34-R39 IonicContact OE1-CZ 3.8Å; E34-R39 IonicContact OE1-NE 2.93Å; E34-R39 PolarHBondContact OE1-NE 3.15Å; E34-R39 IonicContact OE1-NH2 2.68Å; E34-R39 PolarHBondContact OE1-NH2 3.29Å; E34-R39 WeakPolarHBondContact OE2-CB 3.34Å; E34-R39 WeakPolarHBondContact OE2-CD 3.48Å; E34-R39 IonicContact OE2-CZ 2.74Å; E34-R39 IonicContact OE2-NE 3.35Å; E34-R39 PolarHBondContact OE2-NE 3.4Å; E34-R39 IonicContact OE2-NH2 3.8Å; E34-P41 HydrophobicContact CB-CB 4.22Å
35	F	82.6	Confident	81.3	Confident	123 Å²	123	75 Å²	75	54%	0.539	37%	0.366	S	S	.	.	H	α-helix	trans	-63.2	-38.5	172.4	-72.7	-54.1	0	0	0	112.1	E31 Y37 G38 P41	E31-F35 HydrophobicContact CB-CD2 4.24Å; E31-F35 HydrophobicContact CB-CE2 4.08Å; E31-F35 WeakPolarHBondContact O-CD2 3.29Å; E31-F35 PolarHBondContact O-N 2.86Å; F35-Y37 VanDerWaalsContact C-N 3.25Å; F35-Y37 PolarHBondContact O-N 3.36Å; F35-G38 PolarHBondContact O-N 2.91Å; F35-P41 HydrophobicContact CE1-CG 4.26Å; F35-P41 HydrophobicContact CE2-CG 3.99Å; F35-P41 HydrophobicContact CZ-CG 3.74Å
36	N	80.1	Confident	80.6	Confident	138 Å²	138	68.6 Å²	68.6	74%	0.738	34%	0.343	S	S	*	.	H	α-helix	trans	-63.9	-28.1	173.6	-74.8	-31.6	0	0	0	113	E32 N33 E34 G38	E32-N36 WeakPolarHBondContact O-CB 3.43Å; E32-N36 PolarHBondContact O-N 2.98Å; E32-N36 VanDerWaalsContact O-N 3.08Å; E32-N36 PolarHBondContact O-ND2 2.72Å; N33-N36 WeakPolarHBondContact O-CB 3.42Å; N33-N36 PolarHBondContact O-N 3.01Å; E34-N36 VanDerWaalsContact C-N 3.34Å; E34-N36 PolarHBondContact O-N 2.89Å; N36-G38 VanDerWaalsContact C-N 3.33Å
37	Y	77.1	Confident	80	Confident	145 Å²	145	68.1 Å²	68.1	57%	0.569	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.4	3.3	170.8	-69.9	-62.5	0	0	0	114.2	N33 E34 F35 R39	N33-Y37 WeakPolarHBondContact O-CD2 3.28Å; N33-Y37 PolarHBondContact O-N 2.94Å; N33-Y37 VanDerWaalsContact O-N 3.1Å; N33-Y37 VanDerWaalsContact OD1-CE2 3.32Å; N33-Y37 WeakPolarHBondContact OD1-CE2 3.45Å; E34-Y37 CarbonylContact O-C 3.51Å; E34-Y37 PolarHBondContact O-N 2.9Å; E34-Y37 VanDerWaalsContact O-N 3.14Å; F35-Y37 VanDerWaalsContact C-N 3.25Å; F35-Y37 PolarHBondContact O-N 3.36Å; Y37-R39 VanDerWaalsContact C-N 3.26Å; Y37-R39 VanDerWaalsContact CD2-NH2 3.25Å; Y37-R39 PolarHBondContact O-N 3.29Å
38	G	70.5	Confident	79.3	Confident	72 Å²	72	68.4 Å²	68.4	74%	0.742	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.6	19.2	-178.8	0	0	0	0	0	114.5	E34 F35 N36	E34-G38 PolarHBondContact O-N 3.07Å; F35-G38 PolarHBondContact O-N 2.91Å; N36-G38 VanDerWaalsContact C-N 3.33Å
39	R	76.6	Confident	78.3	Confident	122 Å²	122	65.6 Å²	65.6	46%	0.46	33%	0.331	S	S	.	.	P	Polyproline II helix	trans	-97.2	157.3	176.5	-65.9	-169.8	-69.3	-94.9	0.2	110.6	E34 Y37	E34-R39 HydrophobicContact CB-CB 4.5Å; E34-R39 PolarHBondContact O-N 3.12Å; E34-R39 IonicContact OE1-CZ 3.8Å; E34-R39 IonicContact OE1-NE 2.93Å; E34-R39 PolarHBondContact OE1-NE 3.15Å; E34-R39 IonicContact OE1-NH2 2.68Å; E34-R39 PolarHBondContact OE1-NH2 3.29Å; E34-R39 WeakPolarHBondContact OE2-CB 3.34Å; E34-R39 WeakPolarHBondContact OE2-CD 3.48Å; E34-R39 IonicContact OE2-CZ 2.74Å; E34-R39 IonicContact OE2-NE 3.35Å; E34-R39 PolarHBondContact OE2-NE 3.4Å; E34-R39 IonicContact OE2-NH2 3.8Å; Y37-R39 VanDerWaalsContact C-N 3.26Å; Y37-R39 VanDerWaalsContact CD2-NH2 3.25Å; Y37-R39 PolarHBondContact O-N 3.29Å
40	Q	74.4	Confident	77.4	Confident	140 Å²	140	63.8 Å²	63.8	65%	0.654	33%	0.329	S	S	*	.	P	Polyproline II helix	trans	-84.9	127.9	167.2	-67.5	-170.1	72.1	0	0	108.5	S42 D798	Q40-S42 PolarHBondContact O-N 2.88Å; Q40-D798 PolarHBondContact NE2-OD1 2.92Å
41	P	76.4	Confident	76.6	Confident	17 Å²	17	63.2 Å²	63.2	11%	0.11	34%	0.337	C	S	.	.	P	Polyproline II helix	trans	-66.8	123.3	179.3	26.2	-33.3	0	0	0	110.8	F30 E31 E34 F35	F30-P41 HydrophobicContact CE1-CB 4.09Å; E31-P41 HydrophobicContact CG-CB 4.13Å; E31-P41 HydrophobicContact CG-CG 4.09Å; E34-P41 HydrophobicContact CB-CB 4.22Å; F35-P41 HydrophobicContact CE1-CG 4.26Å; F35-P41 HydrophobicContact CE2-CG 3.99Å; F35-P41 HydrophobicContact CZ-CG 3.74Å
42	S	78.5	Confident	75.6	Confident	70 Å²	70	68.2 Å²	68.2	49%	0.49	37%	0.365	S	S	.	.			trans	-85.8	112.2	171.1	-174.6	0	0	0	0	109.5	Q40 F44	Q40-S42 PolarHBondContact O-N 2.88Å; S42-F44 PolarHBondContact O-N 3.08Å
43	H	79.1	Confident	75.4	Confident	17 Å²	17	64.9 Å²	64.9	8%	0.079	35%	0.35	C	S	.	.	B	Isolated β-bridge	trans	-81.6	112.2	-178.8	-50.4	-75	0	0	0	110.8	H27 E31 N52 I53 G55 W59	H27-H43 WeakPolarHBondContact NE2-CA 3.37Å; H27-H43 AromaticContact NE2-ND1 3.71Å; E31-H43 IonicContact OE1-CE1 3.95Å; E31-H43 PolarHBondContact OE1-CE1 3.48Å; E31-H43 VanDerWaalsContact OE1-CE1 3.23Å; E31-H43 IonicContact OE1-NE2 3.23Å; H43-N52 PolarHBondContact O-N 3.49Å; H43-I53 HydrophobicContact CB-CB 4.02Å; H43-I53 WeakPolarHBondContact CB-O 3.26Å; H43-I53 PolarHBondContact CD2-O 3.35Å; H43-I53 PolarHBondContact O-N 2.98Å; H43-I53 VanDerWaalsContact O-N 3.1Å; H43-G55 WeakPolarHBondContact CD2-CA 3.41Å; H43-G55 PolarHBondContact CD2-N 3.05Å; H43-G55 WeakPolarHBondContact NE2-CA 3.3Å; H43-W59 HydrophobicContact CB-CB 4.27Å; H43-W59 HydrophobicContact CB-CG 4.45Å
44	F	78.8	Confident	74.9	Confident	68 Å²	68	70.8 Å²	70.8	30%	0.298	38%	0.376	S	S	.	.			trans	-127.6	145.8	-178.9	166.6	-100.1	0	0	0	110	S42 Y49 C50 W59	S42-F44 PolarHBondContact O-N 3.08Å; F44-Y49 HydrophobicContact CE2-CD1 4.27Å; F44-Y49 AromaticContact CZ-CD1 3.8Å; F44-Y49 HydrophobicContact CZ-CD1 3.8Å; F44-Y49 HydrophobicContact CZ-CE1 4.31Å; F44-Y49 HydrophobicContact CZ-CG 4.44Å; F44-C50 WeakPolarHBondContact CA-O 3.42Å; F44-W59 PolarHBondContact O-NE1 3.41Å
45	C	77.9	Confident	74.8	Confident	1 Å²	1	70.7 Å²	70.7	1%	0.007	38%	0.383	C	S	.	.			trans	-104.2	115.5	172.1	-178.2	0	0	0	0	111.2	I47 C48 Y49 C50 I53 H62 H68	C45-I47 PolarHBondContact O-N 2.62Å; C45-C48 HydrophobicContact CB-CB 4.26Å; C45-C48 PolarHBondContact O-N 2.91Å; C45-Y49 WeakPolarHBondContact O-CA 3.38Å; C45-Y49 PolarHBondContact O-N 3.12Å; C45-C50 PolarHBondContact N-O 2.95Å; C45-I53 HydrophobicContact CB-CD1 4.41Å; C45-H62 VanDerWaalsContact CB-NE2 3.31Å; C45-H62 WeakPolarHBondContact CB-NE2 3.43Å; C45-H62 PolarHBondContact SG-NE2 3.33Å; C45-H62 VanDerWaalsContact SG-NE2 3.36Å; C45-H68 PolarHBondContact SG-CE1 2.64Å; C45-H68 PolarHBondContact SG-ND1 3.3Å; C45-H68 VanDerWaalsContact SG-ND1 3.44Å
46	S	70.3	Confident	74.8	Confident	41 Å²	41	67.1 Å²	67.1	29%	0.287	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-24.1	179.3	47.4	0	0	0	0	115.4
47	I	74.4	Confident	75	Confident	11 Å²	11	68.6 Å²	68.6	6%	0.056	37%	0.366	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.2	-31.5	-176.1	-59.4	-173.1	0	0	0	112	I22 C45 N71 L72 F75	I22-I47 HydrophobicContact CD1-CD1 4.09Å; I22-I47 HydrophobicContact CG2-CD1 3.55Å; I22-I47 HydrophobicContact CG2-CG1 3.94Å; C45-I47 PolarHBondContact O-N 2.62Å; I47-N71 HydrophobicContact CG2-CB 4.45Å; I47-L72 HydrophobicContact CD1-CD1 3.45Å; I47-L72 VanDerWaalsContact CD1-CD1 3.45Å; I47-L72 HydrophobicContact CG2-CD1 4.45Å; I47-F75 HydrophobicContact CG2-CB 4.2Å; I47-F75 HydrophobicContact CG2-CG 4.37Å
48	C	74	Confident	75.2	Confident	18 Å²	18	64.4 Å²	64.4	12%	0.122	36%	0.357	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.3	-6.7	-179.1	-67.3	0	0	0	0	114.5	C45 C50 H62 H68 N71	C45-C48 HydrophobicContact CB-CB 4.26Å; C45-C48 PolarHBondContact O-N 2.91Å; C48-C50 PolarHBondContact O-N 3.27Å; C48-H62 VanDerWaalsContact CB-CE1 3.5Å; C48-H62 WeakPolarHBondContact CB-CE1 3.41Å; C48-H62 VanDerWaalsContact CB-NE2 3.35Å; C48-H62 WeakPolarHBondContact CB-NE2 3.29Å; C48-H68 PolarHBondContact SG-ND1 3.16Å; C48-N71 PolarHBondContact SG-ND2 2.68Å
49	Y	63.9	Low	76	Confident	46 Å²	46	61.1 Å²	61.1	18%	0.18	32%	0.323	C	S	.	.			trans	56.4	12.5	-175.1	-61.1	-91.7	0	0	0	115.1	F44 C45 G51 S827 M853	F44-Y49 HydrophobicContact CE2-CD1 4.27Å; F44-Y49 AromaticContact CZ-CD1 3.8Å; F44-Y49 HydrophobicContact CZ-CD1 3.8Å; F44-Y49 HydrophobicContact CZ-CE1 4.31Å; F44-Y49 HydrophobicContact CZ-CG 4.44Å; C45-Y49 WeakPolarHBondContact O-CA 3.38Å; C45-Y49 PolarHBondContact O-N 3.12Å; Y49-G51 PolarHBondContact O-N 3.36Å; Y49-G51 VanDerWaalsContact O-N 3.11Å; Y49-S827 VanDerWaalsContact CE1-OG 3.3Å; Y49-S827 WeakPolarHBondContact CE1-OG 3.35Å; Y49-S827 VanDerWaalsContact CZ-OG 3.24Å; Y49-S827 PolarHBondContact OH-OG 3.14Å; Y49-M853 HydrophobicContact CD1-CE 4.46Å
50	C	68.6	Low	76.4	Confident	54 Å²	54	56.7 Å²	56.7	37%	0.365	31%	0.307	S	S	.	.			trans	-70.5	103	172.1	-62.9	0	0	0	0	110.1	F44 C45 C48 I53 H62	F44-C50 WeakPolarHBondContact CA-O 3.42Å; C45-C50 PolarHBondContact N-O 2.95Å; C48-C50 PolarHBondContact O-N 3.27Å; C50-I53 HydrophobicContact CB-CD1 4.1Å; C50-I53 HydrophobicContact CB-CG1 4.42Å; C50-I53 WeakPolarHBondContact O-CD1 3.5Å; C50-H62 VanDerWaalsContact SG-CE1 3.53Å
51	G	68.3	Low	76.9	Confident	37 Å²	37	55.1 Å²	55.1	38%	0.381	30%	0.304	S	S	.	.			trans	-86.1	-177	165.5	0	0	0	0	0	112.9	Y49 I53	Y49-G51 PolarHBondContact O-N 3.36Å; Y49-G51 VanDerWaalsContact O-N 3.11Å; G51-I53 PolarHBondContact O-N 3.47Å; G51-I53 VanDerWaalsContact O-N 3.12Å
52	N	66.6	Low	77.4	Confident	138 Å²	138	55.9 Å²	55.9	74%	0.738	31%	0.306	S	S	*	.			trans	54.1	28.8	175.8	-60.8	-17.5	0	0	0	114.6	H43 Q54	H43-N52 PolarHBondContact O-N 3.49Å; N52-Q54 PolarHBondContact O-N 3.14Å
53	I	79.7	Confident	77.8	Confident	24 Å²	24	53.6 Å²	53.6	12%	0.123	29%	0.289	C	S	.	.	B	Isolated β-bridge	trans	-70.4	128	178.7	-57.6	170.7	0	0	0	108.6	H43 C45 C50 G51 G55 C58 W59 H62	H43-I53 HydrophobicContact CB-CB 4.02Å; H43-I53 WeakPolarHBondContact CB-O 3.26Å; H43-I53 PolarHBondContact CD2-O 3.35Å; H43-I53 PolarHBondContact O-N 2.98Å; H43-I53 VanDerWaalsContact O-N 3.1Å; C45-I53 HydrophobicContact CB-CD1 4.41Å; C50-I53 HydrophobicContact CB-CD1 4.1Å; C50-I53 HydrophobicContact CB-CG1 4.42Å; C50-I53 WeakPolarHBondContact O-CD1 3.5Å; G51-I53 PolarHBondContact O-N 3.47Å; G51-I53 VanDerWaalsContact O-N 3.12Å; I53-G55 VanDerWaalsContact C-N 3.3Å; I53-G55 PolarHBondContact O-N 2.95Å; I53-C58 HydrophobicContact CG2-CB 3.51Å; I53-W59 HydrophobicContact CG2-CB 4.13Å; I53-W59 VanDerWaalsContact CG2-N 3.33Å; I53-H62 HydrophobicContact CD1-CB 4.15Å
54	Q	73	Confident	78	Confident	175 Å²	175	58.6 Å²	58.6	82%	0.818	31%	0.312	S	S	*	.	S	Bend	trans	-78.5	72.6	-167.7	-66.5	-175.6	-8.4	0	0	113.2	N52 C58	N52-Q54 PolarHBondContact O-N 3.14Å; Q54-C58 PolarHBondContact O-SG 3.42Å; Q54-C58 VanDerWaalsContact O-SG 3.4Å
55	G	80.1	Confident	78.3	Confident	28 Å²	28	59.3 Å²	59.3	29%	0.289	32%	0.319	S	S	.	.	S	Bend	trans	92.6	157.4	176.8	0	0	0	0	0	114.3	H43 I53 K57 C58 W59	H43-G55 WeakPolarHBondContact CD2-CA 3.41Å; H43-G55 PolarHBondContact CD2-N 3.05Å; H43-G55 WeakPolarHBondContact NE2-CA 3.3Å; I53-G55 VanDerWaalsContact C-N 3.3Å; I53-G55 PolarHBondContact O-N 2.95Å; G55-K57 VanDerWaalsContact C-N 3.26Å; G55-K57 PolarHBondContact O-N 2.86Å; G55-K57 VanDerWaalsContact O-N 3.09Å; G55-C58 WeakPolarHBondContact O-CB 3.44Å; G55-C58 PolarHBondContact O-N 3.2Å; G55-W59 PolarHBondContact O-N 2.92Å; G55-W59 VanDerWaalsContact O-N 3.11Å
56	Y	82.3	Confident	78.2	Confident	47 Å²	47	63.5 Å²	63.5	18%	0.184	35%	0.349	C	S	.	.	H	α-helix	trans	-37.2	-48	174.7	-175.1	-96.7	0	0	0	115.1	E24 K28 E31 C58 W59 I60	E24-Y56 VanDerWaalsContact CD-OH 3.27Å; E24-Y56 HydrophobicContact CG-CE2 4.48Å; E24-Y56 WeakPolarHBondContact CG-OH 3.42Å; E24-Y56 PolarHBondContact OE1-OH 3.15Å; K28-Y56 HydrophobicContact CB-CE2 4.01Å; K28-Y56 HydrophobicContact CG-CE2 4.42Å; E31-Y56 WeakPolarHBondContact OE2-CD2 3.35Å; Y56-C58 PolarHBondContact O-N 3.02Å; Y56-W59 WeakPolarHBondContact O-CB 3.45Å; Y56-W59 PolarHBondContact O-N 2.82Å; Y56-W59 VanDerWaalsContact O-N 3.13Å; Y56-I60 HydrophobicContact CD1-CD1 3.76Å; Y56-I60 HydrophobicContact CE1-CD1 3.32Å; Y56-I60 HydrophobicContact CE1-CG1 4.4Å; Y56-I60 PolarHBondContact O-N 3.09Å
57	K	83.5	Confident	78.4	Confident	170 Å²	170	70.8 Å²	70.8	74%	0.739	37%	0.37	S	S	*	.	H	α-helix	trans	-64.1	-39	-179.3	-68.6	-174	177.7	-177.8	0	112.8	G55 W59 N61	G55-K57 VanDerWaalsContact C-N 3.26Å; G55-K57 PolarHBondContact O-N 2.86Å; G55-K57 VanDerWaalsContact O-N 3.09Å; K57-W59 VanDerWaalsContact C-N 3.31Å; K57-N61 VanDerWaalsContact O-CG 3.31Å; K57-N61 PolarHBondContact O-N 3.36Å; K57-N61 PolarHBondContact O-OD1 2.9Å
58	C	82.9	Confident	78.8	Confident	56 Å²	56	70.4 Å²	70.4	38%	0.378	37%	0.368	S	S	.	.	H	α-helix	trans	-71.2	-29.9	175.3	-69.8	0	0	0	0	111.5	I53 Q54 G55 Y56 H62	I53-C58 HydrophobicContact CG2-CB 3.51Å; Q54-C58 PolarHBondContact O-SG 3.42Å; Q54-C58 VanDerWaalsContact O-SG 3.4Å; G55-C58 WeakPolarHBondContact O-CB 3.44Å; G55-C58 PolarHBondContact O-N 3.2Å; Y56-C58 PolarHBondContact O-N 3.02Å; C58-H62 WeakPolarHBondContact O-CB 3.32Å; C58-H62 PolarHBondContact O-N 3.46Å
59	W	87.4	Confident	79.1	Confident	4 Å²	4	75.5 Å²	75.5	2%	0.015	39%	0.388	C	S	.	.	H	α-helix	trans	-69.4	-42.4	174.1	-174.4	98.3	0	0	0	112.1	I22 H27 H43 F44 I53 G55 Y56 K57 H62 T63	I22-W59 VanDerWaalsContact O-CH2 3.28Å; I22-W59 WeakPolarHBondContact O-CH2 3.46Å; H27-W59 HydrophobicContact CB-CD2 4.46Å; H27-W59 HydrophobicContact CB-CE3 4.11Å; H27-W59 HydrophobicContact CB-CH2 3.48Å; H27-W59 VanDerWaalsContact CB-CH2 3.48Å; H27-W59 HydrophobicContact CB-CZ2 3.87Å; H27-W59 HydrophobicContact CB-CZ3 3.62Å; H27-W59 AromaticContact CD2-CD2 3.48Å; H27-W59 VanDerWaalsContact CD2-CD2 3.48Å; H27-W59 AromaticContact CD2-CE2 3.84Å; H27-W59 AromaticContact CD2-CE3 3.58Å; H27-W59 AromaticContact CD2-CG 3.85Å; H27-W59 AromaticContact CE1-CE2 3.82Å; H27-W59 AromaticContact CE1-CZ2 3.65Å; H27-W59 AromaticContact CG-CD2 3.76Å; H27-W59 AromaticContact CG-CE2 3.66Å; H27-W59 AromaticContact CG-CE3 3.83Å; H27-W59 AromaticContact CG-CH2 3.75Å; H27-W59 AromaticContact CG-CZ2 3.67Å; H27-W59 AromaticContact CG-CZ3 3.83Å; H27-W59 AromaticContact ND1-CE2 3.54Å; H27-W59 AromaticContact ND1-CZ2 3.64Å; H27-W59 AromaticContact ND1-NE1 3.77Å; H27-W59 AromaticContact NE2-CD1 3.7Å; H27-W59 AromaticContact NE2-NE1 3.53Å; H43-W59 HydrophobicContact CB-CB 4.27Å; H43-W59 HydrophobicContact CB-CG 4.45Å; F44-W59 PolarHBondContact O-NE1 3.41Å; I53-W59 HydrophobicContact CG2-CB 4.13Å; I53-W59 VanDerWaalsContact CG2-N 3.33Å; G55-W59 PolarHBondContact O-N 2.92Å; G55-W59 VanDerWaalsContact O-N 3.11Å; Y56-W59 WeakPolarHBondContact O-CB 3.45Å; Y56-W59 PolarHBondContact O-N 2.82Å; Y56-W59 VanDerWaalsContact O-N 3.13Å; K57-W59 VanDerWaalsContact C-N 3.31Å; W59-H62 WeakPolarHBondContact O-CB 3.35Å; W59-H62 PolarHBondContact O-N 3.33Å; W59-H62 VanDerWaalsContact O-N 3.16Å; W59-T63 HydrophobicContact CD2-CG2 4.21Å; W59-T63 HydrophobicContact CE3-CG2 4.21Å; W59-T63 HydrophobicContact CH2-CG2 4.05Å; W59-T63 HydrophobicContact CZ2-CG2 4.03Å; W59-T63 HydrophobicContact CZ3-CG2 4.13Å; W59-T63 PolarHBondContact O-N 3.4Å; W59-T63 PolarHBondContact O-OG1 3.13Å
60	I	85.3	Confident	79.8	Confident	28 Å²	28	75.4 Å²	75.4	14%	0.144	40%	0.396	C	S	.	.	H	α-helix	trans	-62.4	-46	172.1	-68.7	178.6	0	0	0	111.1	E24 Y56 H62 T63 Q64	E24-I60 HydrophobicContact CG-CD1 4.05Å; Y56-I60 HydrophobicContact CD1-CD1 3.76Å; Y56-I60 HydrophobicContact CE1-CD1 3.32Å; Y56-I60 HydrophobicContact CE1-CG1 4.4Å; Y56-I60 PolarHBondContact O-N 3.09Å; I60-H62 PolarHBondContact O-N 2.88Å; I60-T63 PolarHBondContact O-N 3.02Å; I60-T63 PolarHBondContact O-OG1 3.11Å; I60-Q64 HydrophobicContact CG2-CG 4.4Å; I60-Q64 WeakPolarHBondContact O-CB 3.35Å; I60-Q64 WeakPolarHBondContact O-CG 3.47Å; I60-Q64 PolarHBondContact O-N 3.18Å
61	N	84.6	Confident	80	Confident	107 Å²	107	75.4 Å²	75.4	57%	0.572	39%	0.393	S	S	*	.	H	α-helix	trans	-62	-29.9	175.8	-72.5	0.3	0	0	0	112.1	K57	K57-N61 VanDerWaalsContact O-CG 3.31Å; K57-N61 PolarHBondContact O-N 3.36Å; K57-N61 PolarHBondContact O-OD1 2.9Å
62	H	86.5	Confident	80.4	Confident	33 Å²	33	75.1 Å²	75.1	15%	0.153	38%	0.383	C	S	.	.	H	α-helix	trans	-69.6	-51.2	173.2	170.6	87.5	0	0	0	111.8	C45 C48 C50 I53 C58 W59 I60 Q64 N65 H68	C45-H62 VanDerWaalsContact CB-NE2 3.31Å; C45-H62 WeakPolarHBondContact CB-NE2 3.43Å; C45-H62 PolarHBondContact SG-NE2 3.33Å; C45-H62 VanDerWaalsContact SG-NE2 3.36Å; C48-H62 VanDerWaalsContact CB-CE1 3.5Å; C48-H62 WeakPolarHBondContact CB-CE1 3.41Å; C48-H62 VanDerWaalsContact CB-NE2 3.35Å; C48-H62 WeakPolarHBondContact CB-NE2 3.29Å; C50-H62 VanDerWaalsContact SG-CE1 3.53Å; I53-H62 HydrophobicContact CD1-CB 4.15Å; C58-H62 WeakPolarHBondContact O-CB 3.32Å; C58-H62 PolarHBondContact O-N 3.46Å; W59-H62 WeakPolarHBondContact O-CB 3.35Å; W59-H62 PolarHBondContact O-N 3.33Å; W59-H62 VanDerWaalsContact O-N 3.16Å; I60-H62 PolarHBondContact O-N 2.88Å; H62-Q64 VanDerWaalsContact C-N 3.27Å; H62-Q64 PolarHBondContact O-N 2.9Å; H62-N65 WeakPolarHBondContact O-CB 3.48Å; H62-N65 PolarHBondContact O-N 3.49Å; H62-N65 VanDerWaalsContact O-N 3.12Å; H62-H68 AromaticContact CD2-ND1 3.75Å; H62-H68 AromaticContact NE2-ND1 3.42Å; H62-H68 PolarHBondContact NE2-ND1 3.11Å; H62-H68 WeakPolarHBondContact O-CB 3.5Å
63	T	85.6	Confident	80.9	Confident	23 Å²	23	74.4 Å²	74.4	14%	0.141	37%	0.373	C	S	.	.	H	α-helix	trans	-66.4	-27.5	-177.8	55.9	0	0	0	0	113	W59 I60 N65 H68	W59-T63 HydrophobicContact CD2-CG2 4.21Å; W59-T63 HydrophobicContact CE3-CG2 4.21Å; W59-T63 HydrophobicContact CH2-CG2 4.05Å; W59-T63 HydrophobicContact CZ2-CG2 4.03Å; W59-T63 HydrophobicContact CZ3-CG2 4.13Å; W59-T63 PolarHBondContact O-N 3.4Å; W59-T63 PolarHBondContact O-OG1 3.13Å; I60-T63 PolarHBondContact O-N 3.02Å; I60-T63 PolarHBondContact O-OG1 3.11Å; T63-N65 VanDerWaalsContact C-N 3.35Å; T63-H68 PolarHBondContact O-CD2 3.46Å
64	Q	83.8	Confident	80.4	Confident	121 Å²	121	80.5 Å²	80.5	57%	0.565	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.5	-14.4	175.1	-67.3	-180	3.9	0	0	114.4	I60 H62 K69	I60-Q64 HydrophobicContact CG2-CG 4.4Å; I60-Q64 WeakPolarHBondContact O-CB 3.35Å; I60-Q64 WeakPolarHBondContact O-CG 3.47Å; I60-Q64 PolarHBondContact O-N 3.18Å; H62-Q64 VanDerWaalsContact C-N 3.27Å; H62-Q64 PolarHBondContact O-N 2.9Å; Q64-K69 VanDerWaalsContact O-CE 3.22Å; Q64-K69 WeakPolarHBondContact O-CE 3.49Å; Q64-K69 PolarHBondContact O-NZ 3.02Å; Q64-K69 VanDerWaalsContact O-NZ 3.11Å
65	N	85.1	Confident	80.2	Confident	83 Å²	83	73.4 Å²	73.4	44%	0.444	36%	0.362	S	S	.	.	S	Bend	trans	-69.7	150.1	-171.7	-161.6	-17.3	0	0	0	112.8	H62 T63 R67 H68 K69	H62-N65 WeakPolarHBondContact O-CB 3.48Å; H62-N65 PolarHBondContact O-N 3.49Å; H62-N65 VanDerWaalsContact O-N 3.12Å; T63-N65 VanDerWaalsContact C-N 3.35Å; N65-R67 VanDerWaalsContact C-N 3.28Å; N65-R67 PolarHBondContact O-N 2.92Å; N65-H68 PolarHBondContact O-N 3.09Å; N65-K69 PolarHBondContact O-N 2.86Å
66	S	76.5	Confident	79.8	Confident	90 Å²	90	74.6 Å²	74.6	63%	0.629	36%	0.358	S	S	*	.	H	α-helix	trans	-57.7	-38.6	177.9	57.9	0	0	0	0	112.6	H68 K69 A70	S66-H68 VanDerWaalsContact C-N 3.33Å; S66-H68 PolarHBondContact O-N 3.3Å; S66-K69 PolarHBondContact O-N 3.38Å; S66-A70 WeakPolarHBondContact O-CB 3.49Å; S66-A70 PolarHBondContact O-N 3.48Å
67	R	74.2	Confident	79.1	Confident	193 Å²	193	77.2 Å²	77.2	73%	0.728	37%	0.372	S	S	*	.	H	α-helix	trans	-63.9	-35.8	175.4	-170	174.5	-177.5	178.7	0.1	112.7	N65 N71	N65-R67 VanDerWaalsContact C-N 3.28Å; N65-R67 PolarHBondContact O-N 2.92Å; R67-N71 PolarHBondContact O-N 2.85Å; R67-N71 VanDerWaalsContact O-N 3.1Å
68	H	83	Confident	77.8	Confident	3 Å²	3	76.3 Å²	76.3	1%	0.014	37%	0.368	C	S	.	.	H	α-helix	trans	-69.9	-43.9	174	-179.6	100.6	0	0	0	111	C45 C48 H62 T63 N65 S66 A70 N71 L72	C45-H68 PolarHBondContact SG-CE1 2.64Å; C45-H68 PolarHBondContact SG-ND1 3.3Å; C45-H68 VanDerWaalsContact SG-ND1 3.44Å; C48-H68 PolarHBondContact SG-ND1 3.16Å; H62-H68 AromaticContact CD2-ND1 3.75Å; H62-H68 AromaticContact NE2-ND1 3.42Å; H62-H68 PolarHBondContact NE2-ND1 3.11Å; H62-H68 WeakPolarHBondContact O-CB 3.5Å; T63-H68 PolarHBondContact O-CD2 3.46Å; N65-H68 PolarHBondContact O-N 3.09Å; S66-H68 VanDerWaalsContact C-N 3.33Å; S66-H68 PolarHBondContact O-N 3.3Å; H68-A70 VanDerWaalsContact C-N 3.31Å; H68-A70 PolarHBondContact O-N 3.22Å; H68-N71 PolarHBondContact O-N 2.97Å; H68-L72 VanDerWaalsContact O-CB 3.31Å; H68-L72 WeakPolarHBondContact O-CB 3.4Å; H68-L72 PolarHBondContact O-N 3.36Å
69	K	81.2	Confident	76.4	Confident	126 Å²	126	78 Å²	78	55%	0.548	37%	0.368	S	S	.	.	H	α-helix	trans	-60.4	-37	175.7	-68.9	171.2	177.3	165.4	0	112.9	Q64 N65 S66 K73	Q64-K69 VanDerWaalsContact O-CE 3.22Å; Q64-K69 WeakPolarHBondContact O-CE 3.49Å; Q64-K69 PolarHBondContact O-NZ 3.02Å; Q64-K69 VanDerWaalsContact O-NZ 3.11Å; N65-K69 PolarHBondContact O-N 2.86Å; S66-K69 PolarHBondContact O-N 3.38Å; K69-K73 PolarHBondContact O-N 3.42Å
70	A	76.7	Confident	74.5	Confident	43 Å²	43	80 Å²	80	36%	0.355	39%	0.389	S	S	.	.	H	α-helix	trans	-66	-48.4	173.3	0	0	0	0	0	111.8	S66 H68 L72 K73 Y74	S66-A70 WeakPolarHBondContact O-CB 3.49Å; S66-A70 PolarHBondContact O-N 3.48Å; H68-A70 VanDerWaalsContact C-N 3.31Å; H68-A70 PolarHBondContact O-N 3.22Å; A70-L72 VanDerWaalsContact C-N 3.3Å; A70-L72 PolarHBondContact O-N 2.82Å; A70-K73 PolarHBondContact O-N 2.78Å; A70-Y74 VanDerWaalsContact O-CD2 3.24Å; A70-Y74 WeakPolarHBondContact O-CD2 3.42Å; A70-Y74 PolarHBondContact O-N 3.3Å; A70-Y74 VanDerWaalsContact O-N 3.09Å
71	N	74.5	Confident	72.3	Confident	54 Å²	54	82.8 Å²	82.8	29%	0.289	41%	0.408	S	S	.	.	H	α-helix	trans	-60.9	-38.6	175.8	-72.7	-1.1	0	0	0	112.1	I47 C48 R67 H68 Y74 F75	I47-N71 HydrophobicContact CG2-CB 4.45Å; C48-N71 PolarHBondContact SG-ND2 2.68Å; R67-N71 PolarHBondContact O-N 2.85Å; R67-N71 VanDerWaalsContact O-N 3.1Å; H68-N71 PolarHBondContact O-N 2.97Å; N71-Y74 PolarHBondContact O-N 3.43Å; N71-F75 WeakPolarHBondContact O-CB 3.42Å; N71-F75 PolarHBondContact O-N 3.39Å
72	L	76.4	Confident	70.2	Confident	32 Å²	32	81 Å²	81	17%	0.168	40%	0.398	C	S	.	.	H	α-helix	trans	-62.2	-41.7	175.3	-176.5	66.5	0	0	0	112.1	I22 I47 H68 A70 F75 Y76	I22-L72 HydrophobicContact CD1-CD1 4.06Å; I22-L72 HydrophobicContact CD1-CD2 4.3Å; I47-L72 HydrophobicContact CD1-CD1 3.45Å; I47-L72 VanDerWaalsContact CD1-CD1 3.45Å; I47-L72 HydrophobicContact CG2-CD1 4.45Å; H68-L72 VanDerWaalsContact O-CB 3.31Å; H68-L72 WeakPolarHBondContact O-CB 3.4Å; H68-L72 PolarHBondContact O-N 3.36Å; A70-L72 VanDerWaalsContact C-N 3.3Å; A70-L72 PolarHBondContact O-N 2.82Å; L72-F75 WeakPolarHBondContact O-CB 3.32Å; L72-F75 PolarHBondContact O-N 3.4Å; L72-Y76 HydrophobicContact CD1-CE1 3.95Å; L72-Y76 HydrophobicContact CD1-CE2 4.05Å; L72-Y76 HydrophobicContact CD2-CE2 4.49Å; L72-Y76 HydrophobicContact CG-CE2 3.95Å; L72-Y76 PolarHBondContact O-N 3.06Å
73	K	76.8	Confident	67.8	Low	123 Å²	123	84.5 Å²	84.5	54%	0.535	42%	0.424	S	S	.	.	H	α-helix	trans	-62.1	-52.3	175.1	-175.6	176	-178.8	-72.9	0	111.5	K69 A70 F75 Y76 E77	K69-K73 PolarHBondContact O-N 3.42Å; A70-K73 PolarHBondContact O-N 2.78Å; K73-F75 PolarHBondContact O-N 2.93Å; K73-Y76 PolarHBondContact O-N 3.44Å; K73-E77 WeakPolarHBondContact CE-OE1 3.33Å; K73-E77 IonicContact NZ-OE1 2.59Å; K73-E77 PolarHBondContact NZ-OE1 3.33Å; K73-E77 IonicContact NZ-OE2 3.9Å; K73-E77 WeakPolarHBondContact O-CG 3.34Å; K73-E77 PolarHBondContact O-N 2.95Å
74	Y	70	Confident	65.6	Low	151 Å²	151	88.9 Å²	88.9	59%	0.592	44%	0.441	S	S	*	.	H	α-helix	trans	-60.5	-34.6	175.8	-73	-58.8	0	0	0	112.6	A70 N71 E77 F78	A70-Y74 VanDerWaalsContact O-CD2 3.24Å; A70-Y74 WeakPolarHBondContact O-CD2 3.42Å; A70-Y74 PolarHBondContact O-N 3.3Å; A70-Y74 VanDerWaalsContact O-N 3.09Å; N71-Y74 PolarHBondContact O-N 3.43Å; Y74-E77 VanDerWaalsContact CD1-OE2 3.31Å; Y74-E77 WeakPolarHBondContact CD1-OE2 3.03Å; Y74-E77 PolarHBondContact O-N 2.99Å; Y74-F78 PolarHBondContact O-N 2.86Å; Y74-F78 VanDerWaalsContact O-N 3.16Å
75	F	68.3	Low	63.1	Low	26 Å²	26	84.3 Å²	84.3	11%	0.114	42%	0.421	C	S	.	.	H	α-helix	trans	-63.6	-43.1	176.5	-176.4	-88	0	0	0	111.7	Y18 I47 N71 L72 K73 F78 Y79	Y18-F75 HydrophobicContact CD1-CE1 4.42Å; Y18-F75 HydrophobicContact CD1-CZ 4.3Å; Y18-F75 AromaticContact CD2-CE1 3.35Å; Y18-F75 HydrophobicContact CD2-CE1 3.35Å; Y18-F75 AromaticContact CD2-CZ 3.73Å; Y18-F75 HydrophobicContact CD2-CZ 3.73Å; Y18-F75 HydrophobicContact CE1-CZ 4.08Å; Y18-F75 AromaticContact CE2-CE1 3.5Å; Y18-F75 HydrophobicContact CE2-CE1 3.5Å; Y18-F75 AromaticContact CE2-CZ 3.41Å; Y18-F75 HydrophobicContact CE2-CZ 3.41Å; Y18-F75 VanDerWaalsContact CE2-CZ 3.41Å; Y18-F75 AromaticContact CG-CE1 3.84Å; Y18-F75 HydrophobicContact CG-CE1 3.84Å; Y18-F75 HydrophobicContact CG-CZ 4.15Å; Y18-F75 AromaticContact CZ-CZ 3.65Å; I47-F75 HydrophobicContact CG2-CB 4.2Å; I47-F75 HydrophobicContact CG2-CG 4.37Å; N71-F75 WeakPolarHBondContact O-CB 3.42Å; N71-F75 PolarHBondContact O-N 3.39Å; L72-F75 WeakPolarHBondContact O-CB 3.32Å; L72-F75 PolarHBondContact O-N 3.4Å; K73-F75 PolarHBondContact O-N 2.93Å; F75-F78 PolarHBondContact O-N 3.3Å; F75-Y79 AromaticContact CD2-CD2 3.79Å; F75-Y79 HydrophobicContact CD2-CD2 3.79Å; F75-Y79 HydrophobicContact CD2-CE2 4.29Å; F75-Y79 HydrophobicContact CE1-CD2 4.48Å; F75-Y79 AromaticContact CE2-CD2 3.52Å; F75-Y79 HydrophobicContact CE2-CD2 3.52Å; F75-Y79 AromaticContact CE2-CE2 3.98Å; F75-Y79 HydrophobicContact CE2-CE2 3.98Å; F75-Y79 HydrophobicContact CE2-CG 4.15Å; F75-Y79 HydrophobicContact CG-CD2 4.38Å; F75-Y79 AromaticContact CZ-CD2 3.89Å; F75-Y79 HydrophobicContact CZ-CD2 3.89Å; F75-Y79 HydrophobicContact CZ-CG 4.06Å; F75-Y79 WeakPolarHBondContact O-CB 3.38Å; F75-Y79 PolarHBondContact O-N 3.19Å
76	Y	71.3	Confident	60.5	Low	53 Å²	53	86.4 Å²	86.4	21%	0.208	44%	0.437	C	S	.	.	H	α-helix	trans	-69.9	-32.6	173.9	-63	-24.6	0	0	0	113.4	Q15 E19 L72 K73 F78 G80	Q15-Y76 HydrophobicContact CB-CE1 4.48Å; Q15-Y76 HydrophobicContact CG-CD1 4.46Å; Q15-Y76 HydrophobicContact CG-CE1 3.88Å; Q15-Y76 HydrophobicContact CG-CE2 4.41Å; E19-Y76 WeakPolarHBondContact CG-OH 3.39Å; E19-Y76 PolarHBondContact OE1-OH 3.43Å; L72-Y76 HydrophobicContact CD1-CE1 3.95Å; L72-Y76 HydrophobicContact CD1-CE2 4.05Å; L72-Y76 HydrophobicContact CD2-CE2 4.49Å; L72-Y76 HydrophobicContact CG-CE2 3.95Å; L72-Y76 PolarHBondContact O-N 3.06Å; K73-Y76 PolarHBondContact O-N 3.44Å; Y76-F78 PolarHBondContact O-N 3.45Å; Y76-G80 VanDerWaalsContact O-CA 3.26Å; Y76-G80 WeakPolarHBondContact O-CA 3.36Å; Y76-G80 PolarHBondContact O-N 2.88Å
77	E	68.4	Low	58.2	Low	103 Å²	103	88.4 Å²	88.4	48%	0.481	44%	0.44	S	S	.	.	H	α-helix	trans	-65.2	-24.1	174.4	-71.9	167.5	169.4	0	0	112.8	K73 Y74	K73-E77 WeakPolarHBondContact CE-OE1 3.33Å; K73-E77 IonicContact NZ-OE1 2.59Å; K73-E77 PolarHBondContact NZ-OE1 3.33Å; K73-E77 IonicContact NZ-OE2 3.9Å; K73-E77 WeakPolarHBondContact O-CG 3.34Å; K73-E77 PolarHBondContact O-N 2.95Å; Y74-E77 VanDerWaalsContact CD1-OE2 3.31Å; Y74-E77 WeakPolarHBondContact CD1-OE2 3.03Å; Y74-E77 PolarHBondContact O-N 2.99Å
78	F	55.5	Low	56.2	Low	151 Å²	151	85.7 Å²	85.7	66%	0.662	44%	0.444	S	S	*	.	H	α-helix	trans	-105.1	-25.6	178.9	-111.7	-91.9	0	0	0	115.5	Y74 F75 Y76	Y74-F78 PolarHBondContact O-N 2.86Å; Y74-F78 VanDerWaalsContact O-N 3.16Å; F75-F78 PolarHBondContact O-N 3.3Å; Y76-F78 PolarHBondContact O-N 3.45Å
79	Y	54	Low	53.5	Low	92 Å²	92	88.4 Å²	88.4	36%	0.361	46%	0.457	S	S	.	.	H	α-helix	trans	-126.4	0.9	-175	-67.8	-78.1	0	0	0	114.4	F75 T81 G828	F75-Y79 AromaticContact CD2-CD2 3.79Å; F75-Y79 HydrophobicContact CD2-CD2 3.79Å; F75-Y79 HydrophobicContact CD2-CE2 4.29Å; F75-Y79 HydrophobicContact CE1-CD2 4.48Å; F75-Y79 AromaticContact CE2-CD2 3.52Å; F75-Y79 HydrophobicContact CE2-CD2 3.52Å; F75-Y79 AromaticContact CE2-CE2 3.98Å; F75-Y79 HydrophobicContact CE2-CE2 3.98Å; F75-Y79 HydrophobicContact CE2-CG 4.15Å; F75-Y79 HydrophobicContact CG-CD2 4.38Å; F75-Y79 AromaticContact CZ-CD2 3.89Å; F75-Y79 HydrophobicContact CZ-CD2 3.89Å; F75-Y79 HydrophobicContact CZ-CG 4.06Å; F75-Y79 WeakPolarHBondContact O-CB 3.38Å; F75-Y79 PolarHBondContact O-N 3.19Å; Y79-T81 VanDerWaalsContact C-N 3.35Å; Y79-G828 VanDerWaalsContact OH-CA 3.26Å; Y79-G828 WeakPolarHBondContact OH-CA 3.37Å; Y79-G828 PolarHBondContact OH-N 3.37Å
80	G	47.1	Very low	51	Low	46 Å²	46	90.8 Å²	90.8	47%	0.474	47%	0.47	S	S	.	.	S	Bend	trans	-77	-17.2	179.6	0	0	0	0	0	114.6	Y76	Y76-G80 VanDerWaalsContact O-CA 3.26Å; Y76-G80 WeakPolarHBondContact O-CA 3.36Å; Y76-G80 PolarHBondContact O-N 2.88Å
81	T	39.7	Very low	48.6	Very low	86 Å²	86	94.9 Å²	94.9	53%	0.528	49%	0.493	S	S	.	.	S	Bend	trans	-89	136	176.1	40.3	0	0	0	0	111.2	Y79	Y79-T81 VanDerWaalsContact C-N 3.35Å
82	D	38.9	Very low	46.5	Very low	68 Å²	68	97.8 Å²	97.8	36%	0.364	51%	0.512	S	S	.	.			trans	-60	130.9	176.2	-172.1	-26.7	0	0	0	109	K84 T85	D82-K84 PolarHBondContact O-N 3.4Å; D82-K84 IonicContact OD1-NZ 3.02Å; D82-K84 PolarHBondContact OD1-NZ 3.29Å; D82-K84 IonicContact OD2-NZ 3.14Å; D82-K84 PolarHBondContact OD2-NZ 3.34Å; D82-T85 PolarHBondContact O-N 3.36Å; D82-T85 PolarHBondContact O-OG1 3.4Å
83	P	37.7	Very low	44.4	Very low	107 Å²	107	105 Å²	105	70%	0.695	55%	0.545	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	37.2	-176.5	-26.9	36.5	0	0	0	117.9
84	K	38.4	Very low	42.2	Very low	115 Å²	115	105.1 Å²	105.1	50%	0.5	56%	0.562	S	S	.	*	T	Hydrogen-bonded Turn	trans	-127	-17.1	179.1	-57.2	-178.4	-160	72.7	0	113.6	D82	D82-K84 PolarHBondContact O-N 3.4Å; D82-K84 IonicContact OD1-NZ 3.02Å; D82-K84 PolarHBondContact OD1-NZ 3.29Å; D82-K84 IonicContact OD2-NZ 3.14Å; D82-K84 PolarHBondContact OD2-NZ 3.34Å
85	T	31.2	Very low	40.1	Very low	26 Å²	26	103 Å²	103	16%	0.16	57%	0.568	C	S	.	*	S	Bend	trans	-96.9	-5	-174.7	35.4	0	0	0	0	114.6	D82 L87 L286 E290	D82-T85 PolarHBondContact O-N 3.36Å; D82-T85 PolarHBondContact O-OG1 3.4Å; T85-L87 PolarHBondContact O-N 3.43Å; T85-L286 HydrophobicContact CG2-CB 4.25Å; T85-L286 HydrophobicContact CG2-CD2 4.39Å; T85-L286 VanDerWaalsContact O-CD1 3.25Å; T85-L286 WeakPolarHBondContact O-CD1 3.32Å; T85-L286 WeakPolarHBondContact O-CD2 3.34Å; T85-E290 HydrophobicContact CG2-CB 4.42Å; T85-E290 WeakPolarHBondContact CG2-OE2 3.1Å
86	V	29.8	Very low	38.3	Very low	127 Å²	127	113.8 Å²	113.8	77%	0.77	61%	0.609	S	S	*	*			trans	-82.9	70.1	167.6	-169.5	0	0	0	0	110.2
87	L	28.9	Very low	36.3	Very low	132 Å²	132	119.5 Å²	119.5	69%	0.691	64%	0.637	S	S	*	*			trans	-128.3	110.6	165.4	-91.6	169.4	0	0	0	107.9	T85 Q89	T85-L87 PolarHBondContact O-N 3.43Å; L87-Q89 PolarHBondContact O-N 2.89Å
88	V	31.5	Very low	34.7	Very low	136 Å²	136	119.2 Å²	119.2	82%	0.824	64%	0.644	S	S	*	*			trans	-62.4	125.5	-175.8	179.7	0	0	0	0	110.2
89	Q	26.4	Very low	33.5	Very low	60 Å²	60	120.9 Å²	120.9	28%	0.28	65%	0.651	S	S	.	*			trans	-91.2	130.7	172.7	-65.5	-175.9	-4.9	0	0	110.2	L87 L282	L87-Q89 PolarHBondContact O-N 2.89Å; Q89-L282 HydrophobicContact CB-CD1 4.47Å; Q89-L282 HydrophobicContact CB-CD2 3.87Å
90	E	28.5	Very low	32.3	Very low	175 Å²	175	122.4 Å²	122.4	82%	0.818	67%	0.67	S	S	*	*			trans	-132.2	144.4	155.7	-77.3	-151.7	132	0	0	110.6
91	P	28.3	Very low	31.3	Very low	129 Å²	129	125.6 Å²	125.6	84%	0.838	68%	0.684	S	S	*	*			trans	-84.6	163.3	-176.6	35.1	-36.1	0	0	0	113.3
92	V	28.9	Very low	30.8	Very low	115 Å²	115	129.3 Å²	129.3	70%	0.697	70%	0.695	S	S	*	*			trans	-121.7	124.9	-167.8	174.3	0	0	0	0	112.4
93	Q	33.1	Very low	30.3	Very low	185 Å²	185	134.1 Å²	134.1	86%	0.864	71%	0.713	S	S	*	*			trans	67.8	145.6	160.8	-69.4	163.7	10.1	0	0	116.3
94	S	30.1	Very low	29.9	Very low	125 Å²	125	133.1 Å²	133.1	87%	0.874	71%	0.708	S	S	*	*			cis	-138.3	-165.6	49.9	68.5	0	0	0	0	115.1
95	S	26.7	Very low	29.4	Very low	105 Å²	105	132.7 Å²	132.7	73%	0.734	71%	0.711	S	S	*	*			trans	-135.7	143	-156.3	57.4	0	0	0	0	114.5
96	R	30.5	Very low	29.4	Very low	254 Å²	254	135.9 Å²	135.9	96%	0.958	73%	0.727	S	S	*	*			trans	-168.4	153	138.1	-106.1	160.4	-174.4	-174.3	1.4	112.2
97	E	29.1	Very low	29.3	Very low	173 Å²	173	134.1 Å²	134.1	81%	0.808	72%	0.716	S	S	*	*			trans	-125.7	-179.3	-174.8	-106.4	-174	-140.3	0	0	109.1
98	P	34.8	Very low	29.2	Very low	96 Å²	96	131.8 Å²	131.8	62%	0.623	71%	0.711	S	S	*	*			cis	-134.6	-175.4	-34.7	36.9	-20.7	0	0	0	111.9
99	K	30.6	Very low	29	Very low	187 Å²	187	132.9 Å²	132.9	81%	0.813	71%	0.712	S	S	*	*				174.6	120.3	129.3	-97.6	165	-175.8	-179.5	0	117.4
100	T	27.3	Very low	29	Very low	124 Å²	124	133 Å²	133	76%	0.761	73%	0.73	S	S	*	*			trans	47.6	115.1	136.5	58.4	0	0	0	0	123.6
101	C	27.4	Very low	28.9	Very low	113 Å²	113	133.8 Å²	133.8	76%	0.764	73%	0.731	S	S	*	*				157.6	121.4	121	-85.9	0	0	0	0	110.1
102	Q	28.6	Very low	28.7	Very low	163 Å²	163	137.5 Å²	137.5	76%	0.762	73%	0.728	S	S	*	*				56.5	132	88.8	-66.7	-160.3	31.9	0	0	113.7
103	K	28.2	Very low	28.6	Very low	170 Å²	170	137.5 Å²	137.5	74%	0.739	73%	0.729	S	S	*	*			cis	-165.7	157.8	17.4	-143.8	174.8	-175.6	174	0	111.9
104	S	28.7	Very low	28.4	Very low	85 Å²	85	137 Å²	137	59%	0.594	73%	0.727	S	S	*	*			trans	49.9	149	143.3	57.3	0	0	0	0	122.9
105	D	29.3	Very low	28.3	Very low	106 Å²	106	138.1 Å²	138.1	57%	0.567	72%	0.722	S	S	*	*			cis	-172.1	155.2	-12.3	-99.2	-24.6	0	0	0	112	P631	D105-P631 HydrophobicContact CB-CG 4.37Å; D105-P631 WeakPolarHBondContact OD1-CD 3.42Å; D105-P631 WeakPolarHBondContact OD1-CG 3.34Å
106	L	29.9	Very low	28.3	Very low	93 Å²	93	136.7 Å²	136.7	49%	0.487	73%	0.725	S	S	.	*			trans	59.4	160.7	145.2	-61.3	164	0	0	0	122.6	S629 C630	L106-S629 VanDerWaalsContact CD2-CB 3.46Å; L106-C630 WeakPolarHBondContact CD2-O 3.5Å
107	V	27.9	Very low	28.2	Very low	90 Å²	90	134 Å²	134	55%	0.545	72%	0.72	S	S	.	*				-166	134	-53.1	115.1	0	0	0	0	113	C630	V107-C630 VanDerWaalsContact CG2-O 3.31Å; V107-C630 WeakPolarHBondContact CG2-O 3.43Å
108	S	27.6	Very low	28.1	Very low	83 Å²	83	137.4 Å²	137.4	58%	0.58	73%	0.725	S	S	*	*			trans	59	160.2	151.8	81.5	0	0	0	0	122.9
109	N	26.9	Very low	27.9	Very low	159 Å²	159	137.8 Å²	137.8	85%	0.85	73%	0.73	S	S	*	*			trans	67.5	137.7	154.8	-58.8	-24.9	0	0	0	119
110	G	26.7	Very low	27.9	Very low	64 Å²	64	132.7 Å²	132.7	66%	0.66	72%	0.718	S	S	*	*			cis	167.3	139.5	-10.1	0	0	0	0	0	115
111	F	25.9	Very low	28.2	Very low	191 Å²	191	134.3 Å²	134.3	84%	0.838	72%	0.722	S	S	*	*			trans	68.9	141.9	159.5	-79.2	-74.1	0	0	0	122.4
112	R	25	Very low	28.1	Very low	206 Å²	206	133.6 Å²	133.6	78%	0.777	72%	0.715	S	S	*	*			trans	84.2	89	142.6	-76.2	164.1	-165.5	-111.1	0.8	121
113	T	26.5	Very low	28.3	Very low	116 Å²	116	136.1 Å²	136.1	71%	0.712	72%	0.723	S	S	*	*				50.7	127.6	113.8	57.3	0	0	0	0	120.5
114	H	28.8	Very low	28.3	Very low	175 Å²	175	136.2 Å²	136.2	81%	0.81	73%	0.726	S	S	*	*				-155.8	158.9	119.8	-122.4	-83.5	0	0	0	115.3
115	N	27.1	Very low	28.4	Very low	147 Å²	147	137.5 Å²	137.5	79%	0.786	74%	0.735	S	S	*	*			trans	-63.1	154.3	-168.6	-52.2	-34.6	0	0	0	117.2
116	G	28	Very low	28.6	Very low	76 Å²	76	137.8 Å²	137.8	78%	0.784	75%	0.746	S	S	*	*			trans	-153.7	46.5	-178.1	0	0	0	0	0	120
117	K	27.9	Very low	28.7	Very low	197 Å²	197	140.5 Å²	140.5	86%	0.857	76%	0.756	S	S	*	*			trans	37.5	125.1	156	-65.7	173.9	178.5	170	0	122.3
118	R	27.4	Very low	28.9	Very low	245 Å²	245	144.4 Å²	144.4	93%	0.925	77%	0.774	S	S	*	*			trans	66.2	157.9	143.9	-67.6	-178.3	175.4	178.6	-3.5	116.6
119	S	31.1	Very low	29	Very low	103 Å²	103	148.2 Å²	148.2	72%	0.72	78%	0.779	S	S	*	*			cis	-136.1	-169.9	16.2	-155.5	0	0	0	0	114.5
120	S	28.9	Very low	29.1	Very low	81 Å²	81	147.1 Å²	147.1	57%	0.566	78%	0.783	S	S	*	*			trans	-47.7	164.9	169.7	60.5	0	0	0	0	114.3
121	D	33.6	Very low	29.1	Very low	158 Å²	158	151.2 Å²	151.2	85%	0.845	79%	0.79	S	S	*	*				-137.7	171.4	63.7	-80.4	-21.4	0	0	0	117.7
122	T	26.9	Very low	29.3	Very low	98 Å²	98	153.7 Å²	153.7	60%	0.601	79%	0.793	S	S	*	*			trans	-123.6	140.9	-162.9	-64.6	0	0	0	0	111.4	Q124	T122-Q124 HydrophobicContact CG2-CG 4.14Å
123	F	31.6	Very low	29.3	Very low	216 Å²	216	150.7 Å²	150.7	95%	0.947	79%	0.793	S	S	*	*			trans	-133.2	128.8	149.3	-100.2	-81.8	0	0	0	111.9
124	Q	29.1	Very low	29.4	Very low	171 Å²	171	152.5 Å²	152.5	80%	0.799	80%	0.797	S	S	*	*			trans	-86.6	170.2	169.5	-56.6	168	-19	0	0	107.9	T122	T122-Q124 HydrophobicContact CG2-CG 4.14Å
125	S	30.6	Very low	29.2	Very low	112 Å²	112	149.7 Å²	149.7	78%	0.783	80%	0.797	S	S	*	*			cis	-150.4	-178.3	14.5	68.7	0	0	0	0	108.2
126	S	34.1	Very low	29.2	Very low	113 Å²	113	148 Å²	148	79%	0.79	80%	0.797	S	S	*	*			cis	-153.7	172.2	27	51.1	0	0	0	0	112.5
127	H	31	Very low	29.2	Very low	150 Å²	150	150.8 Å²	150.8	69%	0.694	80%	0.799	S	S	*	*			trans	-88.3	154.5	-170.5	-73.5	-68.3	0	0	0	114.5
128	N	32.8	Very low	29.2	Very low	172 Å²	172	149.3 Å²	149.3	92%	0.92	80%	0.795	S	S	*	*				-142.8	144.2	112.6	-105.9	-41.9	0	0	0	111.8
129	K	29.3	Very low	29.3	Very low	162 Å²	162	145.6 Å²	145.6	70%	0.704	79%	0.792	S	S	*	*			trans	-110.9	141.4	-172.6	-76.1	175.7	175.4	172.1	0	111.3
130	C	29.1	Very low	29	Very low	137 Å²	137	143.7 Å²	143.7	93%	0.926	78%	0.779	S	S	*	*			trans	-155.4	90.4	139.2	-102	0	0	0	0	111.1
131	N	25.5	Very low	29	Very low	150 Å²	150	148.8 Å²	148.8	80%	0.802	79%	0.791	S	S	*	*			trans	-104.1	133.6	161.8	-107.7	3.2	0	0	0	108.3
132	R	30.7	Very low	28.6	Very low	242 Å²	242	148 Å²	148	91%	0.913	78%	0.78	S	S	*	*			trans	-124.6	101.9	160.7	-88.5	-172	171.6	178.4	-1.7	108.9
133	N	25.3	Very low	28.8	Very low	143 Å²	143	148.9 Å²	148.9	77%	0.765	79%	0.79	S	S	*	*			trans	-68.8	134.2	164.1	-64.1	-5.8	0	0	0	108.3
134	I	29.5	Very low	28.5	Very low	154 Å²	154	146.4 Å²	146.4	79%	0.79	78%	0.779	S	S	*	*			trans	-126.6	99	154.4	-61.8	-178.2	0	0	0	107.2
135	S	23.5	Very low	28.2	Very low	116 Å²	116	145.4 Å²	145.4	81%	0.811	78%	0.777	S	S	*	*			trans	-81.3	126.7	164	50.7	0	0	0	0	109.1
136	S	28.2	Very low	28	Very low	113 Å²	113	145.3 Å²	145.3	79%	0.79	78%	0.777	S	S	*	*			trans	-145.1	132.2	158.6	54.2	0	0	0	0	109.9
137	T	27	Very low	27.4	Very low	134 Å²	134	147.2 Å²	147.2	82%	0.822	78%	0.778	S	S	*	*			trans	-92.7	149.1	-178.8	34.9	0	0	0	0	111
138	Q	27.4	Very low	27.1	Very low	165 Å²	165	145.5 Å²	145.5	77%	0.771	78%	0.782	S	S	*	*			trans	45.2	116.9	163.6	-60.5	-166.9	11.3	0	0	118.9
139	L	29.3	Very low	26.8	Very low	168 Å²	168	141.8 Å²	141.8	88%	0.88	77%	0.769	S	S	*	*			trans	-155.5	112.7	133.8	-118	165.3	0	0	0	110.9
140	S	25.8	Very low	26.5	Very low	62 Å²	62	141 Å²	141	43%	0.434	77%	0.773	S	S	.	*			trans	-91.4	125.9	179.4	59.8	0	0	0	0	111.7	K559	S140-K559 WeakPolarHBondContact O-CE 3.4Å; S140-K559 PolarHBondContact O-NZ 3.19Å; S140-K559 WeakPolarHBondContact OG-CE 3.45Å; S140-K559 PolarHBondContact OG-NZ 2.8Å
141	K	29.7	Very low	26.4	Very low	189 Å²	189	140.7 Å²	140.7	82%	0.822	77%	0.766	S	S	*	*			trans	-142.2	137	155.6	-84	-171.4	177.4	176.1	0	108.5
142	K	25.1	Very low	26.5	Very low	140 Å²	140	140.6 Å²	140.6	61%	0.609	76%	0.761	S	S	*	*			trans	-93.3	133.5	-180	-65.7	161.2	89.3	178.4	0	108.1	S557	K142-S557 VanDerWaalsContact CD-OG 3.31Å; K142-S557 WeakPolarHBondContact CD-OG 3.19Å; K142-S557 WeakPolarHBondContact CE-OG 3.27Å; K142-S557 PolarHBondContact NZ-OG 3.41Å
143	S	29.3	Very low	26.6	Very low	117 Å²	117	134.4 Å²	134.4	82%	0.818	74%	0.742	S	S	*	*			trans	-124.8	132.3	168.3	50.7	0	0	0	0	109.1
144	K	26.7	Very low	26.8	Very low	164 Å²	164	129.1 Å²	129.1	71%	0.713	72%	0.721	S	S	*	*			trans	-59.2	160.8	-168.2	-73.2	-177.1	162.2	-161.1	0	115.2	D556	K144-D556 WeakPolarHBondContact CE-OD2 3.33Å; K144-D556 IonicContact NZ-OD2 3.62Å; K144-D556 PolarHBondContact NZ-OD2 3.38Å
145	I	23	Very low	26.9	Very low	150 Å²	150	122.4 Å²	122.4	77%	0.769	69%	0.69	S	S	*	*			trans	-49.4	136.7	169.9	-61.6	153.8	0	0	0	111.5	N147	I145-N147 WeakPolarHBondContact CG2-OD1 3.46Å
146	S	25.5	Very low	27.6	Very low	110 Å²	110	120 Å²	120	77%	0.769	67%	0.667	S	S	*	*			trans	-138.2	115.6	155.3	59.1	0	0	0	0	108.5
147	N	21.5	Very low	28.3	Very low	154 Å²	154	116.4 Å²	116.4	82%	0.824	64%	0.638	S	S	*	*			trans	-66.5	135.9	-179.6	-61.8	-7.8	0	0	0	110.5	I145	I145-N147 WeakPolarHBondContact CG2-OD1 3.46Å
148	C	25.3	Very low	28.8	Very low	113 Å²	113	112 Å²	112	76%	0.764	61%	0.609	S	S	*	*			trans	-150.2	108.1	166.7	-158.6	0	0	0	0	111.1
149	S	25.7	Very low	29.6	Very low	95 Å²	95	107.1 Å²	107.1	66%	0.664	59%	0.588	S	S	*	*			trans	39.4	119.9	157.7	59.4	0	0	0	0	120.2
150	D	22.9	Very low	30.2	Very low	145 Å²	145	100.3 Å²	100.3	78%	0.775	55%	0.552	S	S	*	*			trans	-55.6	142.1	171.5	-53.4	-94.6	0	0	0	114.3
151	V	27.8	Very low	30.7	Very low	130 Å²	130	101.4 Å²	101.4	79%	0.788	55%	0.553	S	S	*	*			trans	-125.1	108.4	165.8	-179	0	0	0	0	107.4	E153	V151-E153 PolarHBondContact O-N 3.27Å
152	H	28.4	Very low	31	Very low	148 Å²	148	98.1 Å²	98.1	69%	0.685	54%	0.541	S	S	*	.			trans	-72.2	113.4	-171.8	-63.4	-68.5	0	0	0	112.4	G154 L158	H152-G154 VanDerWaalsContact C-N 3.27Å; H152-G154 PolarHBondContact O-N 3.39Å; H152-L158 HydrophobicContact CB-CD1 4.24Å
153	E	32.3	Very low	31.6	Very low	113 Å²	113	94 Å²	94	53%	0.528	53%	0.527	S	S	.	.			trans	-76.5	68.4	-179.6	-66.6	-161.6	134.4	0	0	113.9	V151 G155 R746 F766	V151-E153 PolarHBondContact O-N 3.27Å; E153-G155 PolarHBondContact O-N 3.4Å; E153-R746 PolarHBondContact O-NH2 3.32Å; E153-F766 HydrophobicContact CB-CE1 4.02Å; E153-F766 HydrophobicContact CB-CZ 4.49Å; E153-F766 HydrophobicContact CG-CE1 4.5Å
154	G	28.7	Very low	32	Very low	31 Å²	31	93.2 Å²	93.2	32%	0.32	51%	0.513	S	S	.	.			trans	-59.3	79.2	-174.5	0	0	0	0	0	116.9	H152	H152-G154 VanDerWaalsContact C-N 3.27Å; H152-G154 PolarHBondContact O-N 3.39Å
155	G	31.8	Very low	32.2	Very low	13 Å²	13	91.9 Å²	91.9	13%	0.134	51%	0.513	C	S	.	.			trans	-79.5	179.4	158.3	0	0	0	0	0	112.4	E153 M157 L158	E153-G155 PolarHBondContact O-N 3.4Å; G155-M157 PolarHBondContact O-N 2.86Å; G155-L158 PolarHBondContact O-N 3.07Å
156	M	39.3	Very low	32.7	Very low	66 Å²	66	93.3 Å²	93.3	33%	0.325	51%	0.514	S	S	.	.	H	α-helix	trans	-52.1	-29.8	175.5	-81.4	-178.2	-94.2	0	0	113.5	L158 N159 I160 T820	M156-L158 VanDerWaalsContact C-N 3.34Å; M156-L158 PolarHBondContact O-N 3.13Å; M156-N159 WeakPolarHBondContact O-CB 3.32Å; M156-N159 PolarHBondContact O-N 3.42Å; M156-I160 WeakPolarHBondContact O-CG1 3.35Å; M156-I160 PolarHBondContact O-N 3.17Å; M156-I160 VanDerWaalsContact O-N 3.14Å; M156-T820 WeakPolarHBondContact CE-O 3.34Å
157	M	41.4	Very low	33	Very low	37 Å²	37	96.1 Å²	96.1	18%	0.182	52%	0.52	C	S	.	.	H	α-helix	trans	-58.4	-38.6	177	-156.9	168.6	-69.3	0	0	113.4	G155 I160 L161 S705 Y723	G155-M157 PolarHBondContact O-N 2.86Å; M157-I160 PolarHBondContact O-N 2.89Å; M157-L161 HydrophobicContact CG-CD1 4.48Å; M157-L161 WeakPolarHBondContact O-CG 3.43Å; M157-L161 PolarHBondContact O-N 2.89Å; M157-S705 VanDerWaalsContact CE-OG 3.31Å; M157-S705 WeakPolarHBondContact CE-OG 3.34Å; M157-Y723 HydrophobicContact CE-CD2 3.86Å; M157-Y723 HydrophobicContact CE-CE2 4.36Å; M157-Y723 HydrophobicContact SD-CD2 3.63Å; M157-Y723 HydrophobicContact SD-CE2 3.67Å
158	L	37.6	Very low	33.4	Very low	43 Å²	43	92.3 Å²	92.3	23%	0.225	51%	0.506	C	S	.	.	H	α-helix	trans	-74.2	-38.2	175	-99.7	163.8	0	0	0	111.7	H152 G155 M156 I160 L161 E162	H152-L158 HydrophobicContact CB-CD1 4.24Å; G155-L158 PolarHBondContact O-N 3.07Å; M156-L158 VanDerWaalsContact C-N 3.34Å; M156-L158 PolarHBondContact O-N 3.13Å; L158-I160 PolarHBondContact O-N 2.74Å; L158-I160 VanDerWaalsContact O-N 3.12Å; L158-L161 PolarHBondContact O-N 3.28Å; L158-L161 VanDerWaalsContact O-N 3.16Å; L158-E162 HydrophobicContact CD2-CG 3.82Å; L158-E162 WeakPolarHBondContact O-CB 3.48Å; L158-E162 WeakPolarHBondContact O-CG 3.45Å; L158-E162 PolarHBondContact O-N 3.4Å
159	N	43.9	Very low	33.6	Very low	61 Å²	61	92.5 Å²	92.5	33%	0.326	50%	0.503	S	S	.	.	H	α-helix	trans	-60.6	-21.4	173.9	-88.9	-71.9	0	0	0	113.9	M156 T163 K903	M156-N159 WeakPolarHBondContact O-CB 3.32Å; M156-N159 PolarHBondContact O-N 3.42Å; N159-T163 PolarHBondContact O-OG1 3.34Å; N159-T163 VanDerWaalsContact O-OG1 3.08Å; N159-K903 PolarHBondContact O-NZ 3.1Å
160	I	43.3	Very low	33.7	Very low	25 Å²	25	95.8 Å²	95.8	13%	0.128	51%	0.514	C	S	.	.	H	α-helix	trans	-82.2	-53.3	172.5	-68.4	160.2	0	0	0	109.7	M156 M157 L158 T163 T951 L965	M156-I160 WeakPolarHBondContact O-CG1 3.35Å; M156-I160 PolarHBondContact O-N 3.17Å; M156-I160 VanDerWaalsContact O-N 3.14Å; M157-I160 PolarHBondContact O-N 2.89Å; L158-I160 PolarHBondContact O-N 2.74Å; L158-I160 VanDerWaalsContact O-N 3.12Å; I160-T163 PolarHBondContact O-N 3.13Å; I160-T163 PolarHBondContact O-OG1 2.87Å; I160-T951 HydrophobicContact CD1-CG2 3.99Å; I160-T951 HydrophobicContact CG1-CG2 4.46Å; I160-T951 HydrophobicContact CG2-CG2 4.18Å; I160-L965 HydrophobicContact CG2-CD1 3.55Å; I160-L965 HydrophobicContact CG2-CD2 4.12Å; I160-L965 HydrophobicContact CG2-CG 4.41Å
161	L	36	Very low	33.8	Very low	85 Å²	85	95.3 Å²	95.3	45%	0.445	52%	0.516	S	S	.	.	H	α-helix	trans	-66.7	-40.4	-175.2	-67	167.8	0	0	0	114	M157 L158 T163	M157-L161 HydrophobicContact CG-CD1 4.48Å; M157-L161 WeakPolarHBondContact O-CG 3.43Å; M157-L161 PolarHBondContact O-N 2.89Å; L158-L161 PolarHBondContact O-N 3.28Å; L158-L161 VanDerWaalsContact O-N 3.16Å; L161-T163 PolarHBondContact O-N 3.35Å
162	E	35.3	Very low	33.9	Very low	121 Å²	121	100.5 Å²	100.5	57%	0.565	52%	0.521	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.4	-4	-179.9	-69.1	-171.5	125.5	0	0	114.2	L158 I164	L158-E162 HydrophobicContact CD2-CG 3.82Å; L158-E162 WeakPolarHBondContact O-CB 3.48Å; L158-E162 WeakPolarHBondContact O-CG 3.45Å; L158-E162 PolarHBondContact O-N 3.4Å; E162-I164 VanDerWaalsContact C-N 3.3Å; E162-I164 PolarHBondContact O-N 3.09Å
163	T	38.1	Very low	33.9	Very low	53 Å²	53	103 Å²	103	33%	0.325	53%	0.53	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-12.3	-178.4	-29.8	0	0	0	0	113.9	N159 I160 L161 K903	N159-T163 PolarHBondContact O-OG1 3.34Å; N159-T163 VanDerWaalsContact O-OG1 3.08Å; I160-T163 PolarHBondContact O-N 3.13Å; I160-T163 PolarHBondContact O-OG1 2.87Å; L161-T163 PolarHBondContact O-N 3.35Å; T163-K903 HydrophobicContact CG2-CD 4.1Å; T163-K903 PolarHBondContact OG1-NZ 3.12Å
164	I	36.7	Very low	33.8	Very low	100 Å²	100	107.1 Å²	107.1	51%	0.513	55%	0.55	S	S	.	.	S	Bend	trans	-111.6	-25.2	-164	-62.4	178.8	0	0	0	113.2	E162 K166 L965	E162-I164 VanDerWaalsContact C-N 3.3Å; E162-I164 PolarHBondContact O-N 3.09Å; I164-K166 PolarHBondContact O-N 2.56Å; I164-L965 HydrophobicContact CD1-CD2 3.8Å
165	D	32.1	Very low	33.8	Very low	136 Å²	136	112.8 Å²	112.8	73%	0.727	57%	0.568	S	S	*	*	S	Bend	trans	-100.8	26	-162.2	-103.9	-16.1	0	0	0	116
166	K	33.7	Very low	33.7	Very low	181 Å²	181	120.4 Å²	120.4	79%	0.787	60%	0.597	S	S	*	*	S	Bend	trans	-128.7	-17.8	177.8	-79.3	179.5	178.7	159.9	0	117.8	I164	I164-K166 PolarHBondContact O-N 2.56Å
167	D	31.2	Very low	33.2	Very low	168 Å²	168	127 Å²	127	90%	0.898	63%	0.627	S	S	*	*	S	Bend	trans	-117.2	8.7	-175.4	-71.7	-56.9	0	0	0	114.9
168	S	30.9	Very low	32.5	Very low	75 Å²	75	131.8 Å²	131.8	52%	0.524	66%	0.659	S	S	.	*	S	Bend	trans	-116	-11.6	-171.9	60.9	0	0	0	0	116.1
169	V	29.6	Very low	32.3	Very low	116 Å²	116	139.3 Å²	139.3	70%	0.703	69%	0.693	S	S	*	*	S	Bend	trans	-126.5	73.5	-174.4	-170.1	0	0	0	0	112.1
170	N	25.8	Very low	31.5	Very low	165 Å²	165	145.6 Å²	145.6	88%	0.882	72%	0.717	S	S	*	*			trans	-170.5	45.8	156.4	-104.3	-34.6	0	0	0	115.5
171	T	27	Very low	30.9	Very low	135 Å²	135	152.4 Å²	152.4	83%	0.828	75%	0.752	S	S	*	*			trans	-129	52.9	-178.7	42.5	0	0	0	0	114.6
172	R	28.7	Very low	30.7	Very low	238 Å²	238	153.2 Å²	153.2	90%	0.898	76%	0.761	S	S	*	*	S	Bend	trans	-154.8	119.2	161.1	-112.8	163.7	-169.3	-170.4	2.8	113.5
173	K	28.5	Very low	30.2	Very low	201 Å²	201	153 Å²	153	87%	0.874	77%	0.768	S	S	*	*			trans	58.9	92.9	167.5	-60	-178.4	176.8	-177.3	0	117.3
174	Q	30	Very low	29.9	Very low	199 Å²	199	158.5 Å²	158.5	93%	0.93	79%	0.794	S	S	*	*				-164.2	140.3	110.5	-105.8	171.8	11.7	0	0	110.6
175	E	29.5	Very low	29.4	Very low	151 Å²	151	160 Å²	160	71%	0.706	80%	0.802	S	S	*	*			trans	-99.8	144.6	173	-80.6	-168.9	82	0	0	111
176	K	29.3	Very low	29.4	Very low	172 Å²	172	159.3 Å²	159.3	75%	0.748	81%	0.808	S	S	*	*			trans	47.6	93.2	145.9	-62.7	163.8	-179.1	150.4	0	117.3
177	Q	29.6	Very low	29.3	Very low	204 Å²	204	159.9 Å²	159.9	95%	0.953	81%	0.811	S	S	*	*				-145.7	129.8	127.6	-115	178.3	23.3	0	0	111
178	T	26.1	Very low	29.3	Very low	138 Å²	138	155.9 Å²	155.9	85%	0.847	81%	0.81	S	S	*	*			trans	-135.2	110.3	-177.3	-51.7	0	0	0	0	109.2
179	Q	32.4	Very low	29.2	Very low	202 Å²	202	161.1 Å²	161.1	94%	0.944	82%	0.823	S	S	*	*			trans	-144.9	160.6	169.5	-97.9	-177.2	19.5	0	0	111.9
180	K	26.9	Very low	29.3	Very low	192 Å²	192	164.4 Å²	164.4	84%	0.835	83%	0.83	S	S	*	*			trans	-94.4	137.6	-163.5	-65	170.5	174.4	173.4	0	113.8
181	I	31.5	Very low	29.5	Very low	168 Å²	168	164.7 Å²	164.7	86%	0.862	83%	0.826	S	S	*	*			trans	-139.7	110.9	145.8	-51.9	178.7	0	0	0	104.7
182	T	31.2	Very low	29.5	Very low	102 Å²	102	163.7 Å²	163.7	63%	0.626	83%	0.825	S	S	*	*			cis	82.3	74.7	43.4	-45.6	0	0	0	0	113.7
183	T	25.3	Very low	29.5	Very low	116 Å²	116	158.6 Å²	158.6	71%	0.712	82%	0.82	S	S	*	*			trans	32.8	118.2	141.4	-42.3	0	0	0	0	120.2
184	I	31.1	Very low	29.4	Very low	170 Å²	170	154.4 Å²	154.4	87%	0.872	82%	0.816	S	S	*	*			trans	-128	135.7	149.8	-60.9	-177.9	0	0	0	109.1
185	N	26.1	Very low	29.4	Very low	130 Å²	130	153.7 Å²	153.7	70%	0.695	81%	0.809	S	S	*	*			trans	-103.1	142.4	175.4	-96.5	-67	0	0	0	110.7
186	S	33.4	Very low	29.2	Very low	122 Å²	122	157.5 Å²	157.5	85%	0.853	82%	0.817	S	S	*	*			trans	-137.3	130.5	158.3	59.4	0	0	0	0	110.2
187	K	30.4	Very low	29.3	Very low	194 Å²	194	156.8 Å²	156.8	84%	0.843	82%	0.821	S	S	*	*			trans	-102.9	128.2	-169.8	-67.5	171.5	178.7	169.9	0	111.4
188	G	31.1	Very low	29.1	Very low	84 Å²	84	152.9 Å²	152.9	87%	0.866	81%	0.811	S	S	*	*			trans	-106.8	127	158.1	0	0	0	0	0	110.1
189	K	29.3	Very low	29.2	Very low	184 Å²	184	153.8 Å²	153.8	80%	0.8	81%	0.811	S	S	*	*			trans	-98	145.1	177.2	-64	174.3	-179	172	0	110.3
190	H	31.2	Very low	28.9	Very low	186 Å²	186	152 Å²	152	86%	0.861	80%	0.803	S	S	*	*				-150.5	164.6	125	-107.3	-76	0	0	0	109.7
191	Q	31.8	Very low	29.1	Very low	170 Å²	170	148.5 Å²	148.5	79%	0.794	80%	0.802	S	S	*	*			trans	-102.4	144.8	-150.8	-69.3	164.1	-58.8	0	0	115
192	S	25.8	Very low	28.8	Very low	115 Å²	115	150.6 Å²	150.6	80%	0.804	80%	0.799	S	S	*	*			trans	-74.6	139	162.4	56.2	0	0	0	0	112
193	V	28.8	Very low	28.6	Very low	130 Å²	130	155.6 Å²	155.6	79%	0.788	81%	0.808	S	S	*	*			trans	-129.3	117.6	156	178.5	0	0	0	0	108.7
194	S	26.7	Very low	28.8	Very low	113 Å²	113	158.6 Å²	158.6	79%	0.79	81%	0.811	S	S	*	*			trans	-92.2	135.1	168.9	-179.4	0	0	0	0	109.6
195	K	29.5	Very low	28.5	Very low	184 Å²	184	157 Å²	157	80%	0.8	81%	0.809	S	S	*	*			trans	-131.1	113.5	161.9	-82.9	-170.1	174.2	-179.2	0	109.9
196	R	26.1	Very low	28.7	Very low	231 Å²	231	156.4 Å²	156.4	87%	0.872	82%	0.815	S	S	*	*			trans	-59.6	139.4	155.5	-72	174.5	169.3	170.1	-5.1	108.5
197	L	31	Very low	28.2	Very low	158 Å²	158	160.1 Å²	160.1	83%	0.827	82%	0.816	S	S	*	*			trans	-143.1	93	150.7	-106.7	169.3	0	0	0	108.4
198	T	25.3	Very low	28.2	Very low	121 Å²	121	156 Å²	156	74%	0.742	81%	0.812	S	S	*	*			trans	-73.7	133.8	161.4	44.5	0	0	0	0	108.6
199	N	29	Very low	27.9	Very low	157 Å²	157	158.3 Å²	158.3	84%	0.84	81%	0.809	S	S	*	*			trans	-146.4	110.9	159.5	-112.9	-4.1	0	0	0	109.8
200	E	26.4	Very low	27.9	Very low	165 Å²	165	154.9 Å²	154.9	77%	0.771	81%	0.808	S	S	*	*			trans	-79.8	135.6	158.8	-62.7	-168.3	142.1	0	0	108.9
201	S	30.1	Very low	27.8	Very low	118 Å²	118	154.5 Å²	154.5	83%	0.825	80%	0.804	S	S	*	*			trans	-153.9	115.9	151	61.6	0	0	0	0	110.9
202	R	25	Very low	27.9	Very low	212 Å²	212	153 Å²	153	80%	0.8	80%	0.802	S	S	*	*			trans	-76.2	139.3	-179	-43.4	149.2	-161.4	162.5	6.8	109.5
203	Y	28.3	Very low	28.1	Very low	208 Å²	208	157.7 Å²	157.7	82%	0.816	80%	0.802	S	S	*	*			trans	-153.7	94.8	143.7	-99.1	-80.6	0	0	0	108.6
204	K	28	Very low	28.2	Very low	178 Å²	178	156.5 Å²	156.5	77%	0.774	80%	0.798	S	S	*	*				81	115.2	99.5	-77.9	-161	-176.8	-174.6	0	115.1
205	V	25.1	Very low	28.6	Very low	138 Å²	138	157.7 Å²	157.7	84%	0.836	80%	0.796	S	S	*	*			trans	-62.9	145.9	161.6	174.8	0	0	0	0	110.6
206	S	29.8	Very low	28.6	Very low	116 Å²	116	153.3 Å²	153.3	81%	0.811	79%	0.788	S	S	*	*			trans	-153.1	144.7	161.9	-73.8	0	0	0	0	110.9
207	K	24.4	Very low	29	Very low	200 Å²	200	152 Å²	152	87%	0.87	79%	0.789	S	S	*	*			trans	-115.1	128.4	176.8	-68.4	177.3	177.5	177.6	0	110.4
208	S	29.7	Very low	29	Very low	108 Å²	108	153.7 Å²	153.7	76%	0.755	79%	0.79	S	S	*	*			trans	-177.1	133.8	150.3	45.7	0	0	0	0	107.7
209	T	24.7	Very low	29.1	Very low	132 Å²	132	156.8 Å²	156.8	81%	0.81	80%	0.798	S	S	*	*			cis	64.7	90.2	41	71.5	0	0	0	0	115.8
210	S	30.4	Very low	29.1	Very low	112 Å²	112	159.3 Å²	159.3	78%	0.783	80%	0.801	S	S	*	*				-175.2	128.3	128.8	48.3	0	0	0	0	115.4
211	F	28.2	Very low	29.2	Very low	179 Å²	179	157.2 Å²	157.2	79%	0.785	81%	0.805	S	S	*	*			trans	32.3	122	136.2	-73.7	-90.5	0	0	0	123.2
212	N	33.3	Very low	29.1	Very low	138 Å²	138	155.2 Å²	155.2	74%	0.738	80%	0.803	S	S	*	*				153.3	154.8	108.4	-83.1	-43.7	0	0	0	112.4
213	R	29.6	Very low	29.2	Very low	213 Å²	213	156.5 Å²	156.5	80%	0.804	81%	0.808	S	S	*	*			cis	-166.8	179.1	-35.2	-141.9	-177.6	-177.1	-176.9	2.3	108.2
214	C	32.3	Very low	29.3	Very low	105 Å²	105	154.5 Å²	154.5	71%	0.709	81%	0.806	S	S	*	*			trans	73.2	137.5	171.5	-66.3	0	0	0	0	116.4
215	D	34.4	Very low	29.1	Very low	139 Å²	139	151.7 Å²	151.7	74%	0.743	80%	0.804	S	S	*	*			cis	-147.1	176.3	-8.3	-131.8	-47.1	0	0	0	115.3
216	S	29.5	Very low	29.2	Very low	92 Å²	92	154.9 Å²	154.9	64%	0.643	80%	0.802	S	S	*	*			trans	-121.4	152	-154.3	-37.5	0	0	0	0	113
217	K	35.4	Very low	29.2	Very low	202 Å²	202	153.7 Å²	153.7	88%	0.878	79%	0.794	S	S	*	*			trans	-166.5	119.2	136.5	-102.8	141.2	-167	172.2	0	114.5
218	K	31.3	Very low	29.5	Very low	195 Å²	195	150 Å²	150	85%	0.848	79%	0.79	S	S	*	*			trans	28.5	116.7	141.2	-61.7	177.6	177.6	-179.6	0	118
219	M	26.7	Very low	29.4	Very low	185 Å²	185	150.6 Å²	150.6	91%	0.911	79%	0.789	S	S	*	*				54.9	113.8	79.2	-77.3	-166.5	119.3	0	0	115.9
220	K	29.8	Very low	29.6	Very low	210 Å²	210	154.8 Å²	154.8	91%	0.913	79%	0.792	S	S	*	*				-158.8	157.5	110.9	-113.1	177.5	178.6	-175.6	0	111.5
221	S	27.3	Very low	29.7	Very low	121 Å²	121	155.3 Å²	155.3	85%	0.846	79%	0.792	S	S	*	*			trans	-84.1	134.4	175.8	50.9	0	0	0	0	111.5
222	G	28.6	Very low	29.7	Very low	76 Å²	76	155.7 Å²	155.7	78%	0.784	80%	0.797	S	S	*	*			trans	-131.2	130.4	165.8	0	0	0	0	0	109.4
223	R	27.4	Very low	29.4	Very low	239 Å²	239	155.3 Å²	155.3	90%	0.902	80%	0.799	S	S	*	*			trans	-117	89.5	-178.7	179.1	-158.9	-175	-168.2	3.5	107.9
224	E	29.2	Very low	29.4	Very low	167 Å²	167	153.2 Å²	153.2	78%	0.78	80%	0.803	S	S	*	*			trans	-117.9	118.5	-179.6	-69.5	-173.4	170.1	0	0	111.3
225	T	24.8	Very low	29.2	Very low	119 Å²	119	156.2 Å²	156.2	73%	0.73	81%	0.807	S	S	*	*			trans	-79.8	123.5	177.7	-50.9	0	0	0	0	108.9
226	Y	27.2	Very low	28.7	Very low	204 Å²	204	155.4 Å²	155.4	80%	0.8	81%	0.811	S	S	*	*			trans	-131.2	109	169.8	-91.3	-78.7	0	0	0	112
227	S	30	Very low	28.7	Very low	92 Å²	92	159 Å²	159	64%	0.643	82%	0.822	S	S	*	*			trans	-105.8	137.3	164.7	-58.5	0	0	0	0	109.2
228	P	30.5	Very low	28.6	Very low	122 Å²	122	154.8 Å²	154.8	79%	0.792	82%	0.815	S	S	*	*			trans	-108.7	98.8	146.5	28.1	-14.8	0	0	0	107.3
229	V	26.2	Very low	28.5	Very low	121 Å²	121	152.4 Å²	152.4	73%	0.733	82%	0.818	S	S	*	*				59.6	101.7	76.8	-177.3	0	0	0	0	111.1
230	Y	30.8	Very low	28.7	Very low	219 Å²	219	148.3 Å²	148.3	86%	0.859	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-71.5	138.2	160.2	-75.8	-101.4	0	0	0	109.2
231	P	31.7	Very low	28.9	Very low	123 Å²	123	144.1 Å²	144.1	80%	0.799	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-76.6	141.1	151.3	-11.2	29	0	0	0	109.8
232	E	27.2	Very low	29.3	Very low	188 Å²	188	148 Å²	148	88%	0.879	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-83	167	-175.7	-70.2	167.7	108.3	0	0	113.8
233	T	27	Very low	29.4	Very low	129 Å²	129	149.4 Å²	149.4	79%	0.791	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-52.2	139.1	168.5	-41.5	0	0	0	0	111.8
234	L	30.4	Very low	29.8	Very low	169 Å²	169	145.9 Å²	145.9	89%	0.885	79%	0.793	S	S	*	*			trans	-140.8	115.7	164.5	-114.4	169.1	0	0	0	110.6
235	E	27.8	Very low	29.7	Very low	168 Å²	168	143.6 Å²	143.6	79%	0.785	79%	0.791	S	S	*	*			trans	-93.1	134.9	175	-59.3	179.6	127.7	0	0	110.4
236	C	25.2	Very low	30.2	Very low	123 Å²	123	145.5 Å²	145.5	83%	0.831	80%	0.795	S	S	*	*			trans	-172.5	106.9	152	-97.6	0	0	0	0	108.1
237	L	27.8	Very low	30.6	Very low	166 Å²	166	144.1 Å²	144.1	87%	0.869	80%	0.796	S	S	*	*				72.5	134.3	88	-109.5	73.8	0	0	0	115.3
238	P	35	Very low	31.1	Very low	114 Å²	114	145.4 Å²	145.4	74%	0.74	80%	0.801	S	S	*	*			trans	-103.6	150.7	-165.2	39.1	-35	0	0	0	115.5
239	T	28.7	Very low	31.3	Very low	146 Å²	146	145.3 Å²	145.3	90%	0.896	80%	0.801	S	S	*	*			trans	177.9	162.6	161.7	20.2	0	0	0	0	108.2
240	S	30.1	Very low	31.6	Very low	98 Å²	98	146.9 Å²	146.9	69%	0.685	81%	0.805	S	S	*	*			cis	-166.4	125.2	-37.6	179.6	0	0	0	0	110.7
241	V	34.7	Very low	31.8	Very low	122 Å²	122	145.1 Å²	145.1	74%	0.739	81%	0.805	S	S	*	*			trans	42.7	118.1	148.1	-172.1	0	0	0	0	120.3
242	K	34.1	Very low	32	Very low	203 Å²	203	145.8 Å²	145.8	88%	0.883	80%	0.802	S	S	*	*				-165.5	148	111.9	-103	174.2	-171.2	177.8	0	112.9
243	P	32.6	Very low	32.8	Very low	106 Å²	106	142.6 Å²	142.6	69%	0.688	80%	0.795	S	S	*	*			trans	-96.8	164.5	-173.3	38.3	-35.7	0	0	0	113.9
244	I	34.3	Very low	33.8	Very low	165 Å²	165	143.2 Å²	143.2	85%	0.846	79%	0.794	S	S	*	*			trans	-125.2	129.5	163.4	-63.7	179	0	0	0	108.3
245	T	27.5	Very low	34.5	Very low	119 Å²	119	141.6 Å²	141.6	73%	0.73	78%	0.779	S	S	*	*			trans	-106.9	130.9	-177.5	-56.8	0	0	0	0	110.4
246	I	36	Very low	35.7	Very low	159 Å²	159	138.4 Å²	138.4	82%	0.815	77%	0.772	S	S	*	*			trans	-130.2	143.9	162.3	-60.5	-176.9	0	0	0	107.8
247	Q	34.7	Very low	37.3	Very low	175 Å²	175	134.6 Å²	134.6	82%	0.818	75%	0.753	S	S	*	*			trans	-85.8	159.2	-164.8	-75.3	178.8	-18.3	0	0	114.3
248	P	40.7	Very low	38.8	Very low	118 Å²	118	132.9 Å²	132.9	77%	0.766	74%	0.741	S	S	*	*			trans	-96.4	165.3	-169.6	38.5	-36.7	0	0	0	114.2
249	P	35.4	Very low	40.3	Very low	120 Å²	120	132.7 Å²	132.7	78%	0.779	73%	0.733	S	S	*	*			trans	-117.7	145.8	143.1	35.3	-26.5	0	0	0	112.6
250	N	31.6	Very low	42.1	Very low	154 Å²	154	130.7 Å²	130.7	82%	0.824	71%	0.713	S	S	*	*			trans	-27.8	133.2	175.9	-47.5	-20.2	0	0	0	118
251	E	36.3	Very low	43.6	Very low	183 Å²	183	130 Å²	130	86%	0.855	71%	0.707	S	S	*	*				-169.4	106.1	125.5	-110.7	176	-161.5	0	0	110.4
252	D	34.8	Very low	45.2	Very low	137 Å²	137	130.4 Å²	130.4	73%	0.733	70%	0.703	S	S	*	*			trans	-100.6	111	-178.3	-73.4	-53.5	0	0	0	111.6
253	T	43.2	Very low	47.2	Very low	121 Å²	121	126.4 Å²	126.4	74%	0.742	69%	0.687	S	S	*	*	S	Bend	trans	-169.2	-38.3	155.5	5.7	0	0	0	0	113.4
254	N	49.3	Very low	49.1	Very low	141 Å²	141	126.7 Å²	126.7	75%	0.754	68%	0.678	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.6	-34.2	-171.6	-90	-11.7	0	0	0	115.4	T256 G257	N254-T256 PolarHBondContact O-N 2.82Å; N254-T256 VanDerWaalsContact O-N 3.09Å; N254-G257 PolarHBondContact O-N 3.2Å
255	K	45.5	Very low	50.7	Low	135 Å²	135	121.3 Å²	121.3	59%	0.587	66%	0.658	S	S	*	*	H	α-helix	trans	-58.1	-29.7	-172.8	-68	173.8	-177.2	162.8	0	113.7	G257 E258 L259	K255-G257 VanDerWaalsContact C-N 3.3Å; K255-G257 PolarHBondContact O-N 2.97Å; K255-E258 PolarHBondContact O-N 2.84Å; K255-L259 WeakPolarHBondContact O-CB 3.46Å; K255-L259 WeakPolarHBondContact O-CG 3.11Å; K255-L259 PolarHBondContact O-N 2.86Å
256	T	51.7	Low	53.2	Low	102 Å²	102	120.8 Å²	120.8	63%	0.626	65%	0.65	S	S	*	*	H	α-helix	trans	-65.6	-33.3	179.5	-31.7	0	0	0	0	112.2	N254 Q260	N254-T256 PolarHBondContact O-N 2.82Å; N254-T256 VanDerWaalsContact O-N 3.09Å; T256-Q260 WeakPolarHBondContact O-CB 3.14Å; T256-Q260 PolarHBondContact O-N 3.07Å
257	G	59.6	Low	55.3	Low	42 Å²	42	117.1 Å²	117.1	43%	0.433	63%	0.631	S	S	.	*	H	α-helix	trans	-72.5	-42.6	176.3	0	0	0	0	0	112.3	N254 K255 Q260 C261	N254-G257 PolarHBondContact O-N 3.2Å; K255-G257 VanDerWaalsContact C-N 3.3Å; K255-G257 PolarHBondContact O-N 2.97Å; G257-Q260 PolarHBondContact O-N 2.71Å; G257-C261 PolarHBondContact O-N 3.35Å; G257-C261 PolarHBondContact O-SG 2.96Å; G257-C261 VanDerWaalsContact O-SG 3.32Å
258	E	59.5	Low	57.1	Low	131 Å²	131	113.3 Å²	113.3	61%	0.612	62%	0.615	S	S	*	*	H	α-helix	trans	-63.5	-46.7	177	-64.4	-179.1	136.2	0	0	111.5	K255 Q260 C261 M262	K255-E258 PolarHBondContact O-N 2.84Å; E258-Q260 PolarHBondContact O-N 3.29Å; E258-C261 WeakPolarHBondContact O-CB 3.45Å; E258-C261 PolarHBondContact O-N 3.01Å; E258-C261 VanDerWaalsContact O-N 3.16Å; E258-M262 WeakPolarHBondContact O-CG 3.36Å; E258-M262 PolarHBondContact O-N 3.28Å
259	L	65.9	Low	58.9	Low	110 Å²	110	110.9 Å²	110.9	58%	0.576	60%	0.601	S	S	*	*	H	α-helix	trans	-57.5	-45	175.4	-77.9	167.8	0	0	0	112.3	K255 C261 M262 E263	K255-L259 WeakPolarHBondContact O-CB 3.46Å; K255-L259 WeakPolarHBondContact O-CG 3.11Å; K255-L259 PolarHBondContact O-N 2.86Å; L259-C261 VanDerWaalsContact C-N 3.3Å; L259-C261 PolarHBondContact O-N 3.12Å; L259-M262 PolarHBondContact O-N 2.94Å; L259-E263 WeakPolarHBondContact O-CB 3.48Å; L259-E263 PolarHBondContact O-N 3.31Å
260	Q	67.6	Low	61.3	Low	103 Å²	103	110.7 Å²	110.7	48%	0.481	59%	0.59	S	S	.	*	H	α-helix	trans	-70.5	-25.7	179.6	-164	179.7	88.9	0	0	112.8	T256 G257 E258 K264	T256-Q260 WeakPolarHBondContact O-CB 3.14Å; T256-Q260 PolarHBondContact O-N 3.07Å; G257-Q260 PolarHBondContact O-N 2.71Å; E258-Q260 PolarHBondContact O-N 3.29Å; Q260-K264 WeakPolarHBondContact O-CD 3.36Å; Q260-K264 WeakPolarHBondContact O-CG 3.44Å; Q260-K264 PolarHBondContact O-N 3.48Å
261	C	61.1	Low	63.8	Low	84 Å²	84	109.1 Å²	109.1	57%	0.568	58%	0.578	S	S	*	*	H	α-helix	trans	-73.5	-40.4	169.4	-72.1	0	0	0	0	112	G257 E258 L259 K264 A265	G257-C261 PolarHBondContact O-N 3.35Å; G257-C261 PolarHBondContact O-SG 2.96Å; G257-C261 VanDerWaalsContact O-SG 3.32Å; E258-C261 WeakPolarHBondContact O-CB 3.45Å; E258-C261 PolarHBondContact O-N 3.01Å; E258-C261 VanDerWaalsContact O-N 3.16Å; L259-C261 VanDerWaalsContact C-N 3.3Å; L259-C261 PolarHBondContact O-N 3.12Å; C261-K264 PolarHBondContact O-N 3.29Å; C261-A265 WeakPolarHBondContact O-CB 3.41Å; C261-A265 PolarHBondContact O-N 3.25Å
262	M	68.1	Low	66	Low	130 Å²	130	105.6 Å²	105.6	64%	0.64	56%	0.564	S	S	*	*	H	α-helix	trans	-63.9	-41.2	174.5	-70.7	174.4	64.6	0	0	112.1	E258 L259 A265 L266	E258-M262 WeakPolarHBondContact O-CG 3.36Å; E258-M262 PolarHBondContact O-N 3.28Å; L259-M262 PolarHBondContact O-N 2.94Å; M262-A265 PolarHBondContact O-N 3.35Å; M262-L266 WeakPolarHBondContact O-CB 3.37Å; M262-L266 PolarHBondContact O-N 3.5Å
263	E	75.9	Confident	68.4	Low	119 Å²	119	105.5 Å²	105.5	56%	0.556	56%	0.559	S	S	*	*	H	α-helix	trans	-61	-47.3	175.7	-176.6	175.5	-141.7	0	0	111.6	L259 A265 L266 I267	L259-E263 WeakPolarHBondContact O-CB 3.48Å; L259-E263 PolarHBondContact O-N 3.31Å; E263-A265 PolarHBondContact O-N 3.32Å; E263-L266 WeakPolarHBondContact O-CB 3.31Å; E263-L266 PolarHBondContact O-N 3.04Å; E263-I267 HydrophobicContact CG-CD1 4.32Å; E263-I267 WeakPolarHBondContact O-CG1 3.29Å; E263-I267 PolarHBondContact O-N 2.78Å
264	K	71.7	Confident	70.6	Confident	113 Å²	113	102.7 Å²	102.7	49%	0.491	54%	0.544	S	S	.	.	H	α-helix	trans	-61.3	-41.9	173.8	-73.5	169.8	-176.6	167.2	0	112.3	Q260 C261 L266 I267 I268	Q260-K264 WeakPolarHBondContact O-CD 3.36Å; Q260-K264 WeakPolarHBondContact O-CG 3.44Å; Q260-K264 PolarHBondContact O-N 3.48Å; C261-K264 PolarHBondContact O-N 3.29Å; K264-L266 VanDerWaalsContact C-N 3.31Å; K264-L266 PolarHBondContact O-N 3.43Å; K264-I267 PolarHBondContact O-N 3.36Å; K264-I268 WeakPolarHBondContact O-CD1 3.4Å; K264-I268 VanDerWaalsContact O-CG1 3.28Å; K264-I268 WeakPolarHBondContact O-CG1 3.38Å; K264-I268 PolarHBondContact O-N 2.74Å
265	A	69.6	Low	72.2	Confident	52 Å²	52	100.8 Å²	100.8	43%	0.43	53%	0.534	S	S	.	.	H	α-helix	trans	-64.1	-35.5	176.6	0	0	0	0	0	112.4	C261 M262 E263 S269	C261-A265 WeakPolarHBondContact O-CB 3.41Å; C261-A265 PolarHBondContact O-N 3.25Å; M262-A265 PolarHBondContact O-N 3.35Å; E263-A265 PolarHBondContact O-N 3.32Å; A265-S269 WeakPolarHBondContact O-CB 3.18Å; A265-S269 PolarHBondContact O-N 2.95Å; A265-S269 PolarHBondContact O-OG 3.35Å
266	L	80.1	Confident	74.2	Confident	107 Å²	107	99.4 Å²	99.4	56%	0.56	53%	0.528	S	S	*	.	H	α-helix	trans	-65.6	-46.2	174.9	-169.3	75.2	0	0	0	111.5	M262 E263 K264 S269 Q270	M262-L266 WeakPolarHBondContact O-CB 3.37Å; M262-L266 PolarHBondContact O-N 3.5Å; E263-L266 WeakPolarHBondContact O-CB 3.31Å; E263-L266 PolarHBondContact O-N 3.04Å; K264-L266 VanDerWaalsContact C-N 3.31Å; K264-L266 PolarHBondContact O-N 3.43Å; L266-S269 WeakPolarHBondContact O-CB 3.22Å; L266-S269 PolarHBondContact O-N 3.24Å; L266-Q270 WeakPolarHBondContact O-CG 3.41Å; L266-Q270 PolarHBondContact O-N 2.74Å
267	I	78.8	Confident	76.1	Confident	83 Å²	83	99.2 Å²	99.2	43%	0.426	52%	0.522	S	S	.	.	H	α-helix	trans	-60.5	-49	177.4	-66.5	163.7	0	0	0	110.5	E263 K264 S269 Q270 E271	E263-I267 HydrophobicContact CG-CD1 4.32Å; E263-I267 WeakPolarHBondContact O-CG1 3.29Å; E263-I267 PolarHBondContact O-N 2.78Å; K264-I267 PolarHBondContact O-N 3.36Å; I267-S269 VanDerWaalsContact C-N 3.26Å; I267-S269 PolarHBondContact O-N 3.45Å; I267-Q270 PolarHBondContact O-N 3.04Å; I267-Q270 VanDerWaalsContact O-N 3.1Å; I267-E271 PolarHBondContact O-N 3.21Å
268	I	73.3	Confident	77.5	Confident	94 Å²	94	102.8 Å²	102.8	48%	0.482	53%	0.526	S	S	.	.	H	α-helix	trans	-58.8	-38.7	176.3	-68	164.5	0	0	0	111.1	K264 E271 L272	K264-I268 WeakPolarHBondContact O-CD1 3.4Å; K264-I268 VanDerWaalsContact O-CG1 3.28Å; K264-I268 WeakPolarHBondContact O-CG1 3.38Å; K264-I268 PolarHBondContact O-N 2.74Å; I268-E271 PolarHBondContact O-N 3.44Å; I268-L272 HydrophobicContact CG2-CD1 3.94Å; I268-L272 HydrophobicContact CG2-CG 4.37Å; I268-L272 WeakPolarHBondContact O-CB 3.37Å; I268-L272 VanDerWaalsContact O-CG 3.27Å; I268-L272 WeakPolarHBondContact O-CG 3.44Å; I268-L272 PolarHBondContact O-N 2.56Å
269	S	77.9	Confident	78.9	Confident	68 Å²	68	101.3 Å²	101.3	48%	0.476	52%	0.519	S	S	.	.	H	α-helix	trans	-65.6	-37.5	177.1	-58.5	0	0	0	0	112.5	A265 L266 I267 Q273	A265-S269 WeakPolarHBondContact O-CB 3.18Å; A265-S269 PolarHBondContact O-N 2.95Å; A265-S269 PolarHBondContact O-OG 3.35Å; L266-S269 WeakPolarHBondContact O-CB 3.22Å; L266-S269 PolarHBondContact O-N 3.24Å; I267-S269 VanDerWaalsContact C-N 3.26Å; I267-S269 PolarHBondContact O-N 3.45Å; S269-Q273 WeakPolarHBondContact O-CB 3.03Å; S269-Q273 PolarHBondContact O-N 3.39Å
270	Q	85.5	Confident	80.1	Confident	116 Å²	116	99.2 Å²	99.2	54%	0.542	51%	0.508	S	S	.	.	H	α-helix	trans	-69.6	-41.3	175.5	-69.8	173.8	-1	0	0	111.9	L266 I267 Q273 S274	L266-Q270 WeakPolarHBondContact O-CG 3.41Å; L266-Q270 PolarHBondContact O-N 2.74Å; I267-Q270 PolarHBondContact O-N 3.04Å; I267-Q270 VanDerWaalsContact O-N 3.1Å; Q270-Q273 PolarHBondContact O-N 3.27Å; Q270-S274 PolarHBondContact O-N 2.97Å
271	E	85.3	Confident	81.2	Confident	121 Å²	121	98.8 Å²	98.8	57%	0.565	51%	0.506	S	S	*	.	H	α-helix	trans	-63.8	-44.5	174.4	-71.3	-169.2	143	0	0	111.7	I267 I268 Q273 S274 L275	I267-E271 PolarHBondContact O-N 3.21Å; I268-E271 PolarHBondContact O-N 3.44Å; E271-Q273 VanDerWaalsContact C-N 3.3Å; E271-Q273 PolarHBondContact O-N 3.43Å; E271-S274 PolarHBondContact O-N 3.09Å; E271-L275 WeakPolarHBondContact O-CB 3.45Å; E271-L275 VanDerWaalsContact O-CG 3.32Å; E271-L275 WeakPolarHBondContact O-CG 3.41Å; E271-L275 PolarHBondContact O-N 3.42Å
272	L	82	Confident	82.5	Confident	109 Å²	109	97.3 Å²	97.3	57%	0.571	49%	0.492	S	S	*	.	H	α-helix	trans	-59.7	-39	174.6	-74.7	170.8	0	0	0	112.2	I268 K276	I268-L272 HydrophobicContact CG2-CD1 3.94Å; I268-L272 HydrophobicContact CG2-CG 4.37Å; I268-L272 WeakPolarHBondContact O-CB 3.37Å; I268-L272 VanDerWaalsContact O-CG 3.27Å; I268-L272 WeakPolarHBondContact O-CG 3.44Å; I268-L272 PolarHBondContact O-N 2.56Å; L272-K276 WeakPolarHBondContact O-CB 3.38Å; L272-K276 PolarHBondContact O-N 3.15Å
273	Q	84.9	Confident	83.6	Confident	135 Å²	135	94.8 Å²	94.8	63%	0.631	48%	0.479	S	S	*	.	H	α-helix	trans	-67.4	-40.9	175.5	-167.9	174.8	12.4	0	0	112	S269 Q270 E271 K276 I277	S269-Q273 WeakPolarHBondContact O-CB 3.03Å; S269-Q273 PolarHBondContact O-N 3.39Å; Q270-Q273 PolarHBondContact O-N 3.27Å; E271-Q273 VanDerWaalsContact C-N 3.3Å; E271-Q273 PolarHBondContact O-N 3.43Å; Q273-K276 PolarHBondContact O-N 3.42Å; Q273-I277 WeakPolarHBondContact O-CG1 3.37Å; Q273-I277 PolarHBondContact O-N 3.33Å; Q273-I277 VanDerWaalsContact O-N 3.11Å
274	S	89.4	Confident	84.3	Confident	61 Å²	61	94.8 Å²	94.8	43%	0.427	48%	0.479	S	S	.	.	H	α-helix	trans	-64.6	-43.3	175	-172.9	0	0	0	0	112.3	Q270 E271 K276 I277 K278	Q270-S274 PolarHBondContact O-N 2.97Å; E271-S274 PolarHBondContact O-N 3.09Å; S274-K276 VanDerWaalsContact C-N 3.34Å; S274-I277 PolarHBondContact O-N 3.12Å; S274-K278 WeakPolarHBondContact O-CG 3.35Å; S274-K278 PolarHBondContact O-N 3.32Å; S274-K278 VanDerWaalsContact O-N 3.13Å
275	L	83	Confident	85.3	Confident	102 Å²	102	93.4 Å²	93.4	53%	0.534	47%	0.473	S	S	.	.	H	α-helix	trans	-64.6	-37.2	175.9	-72.5	170.3	0	0	0	111.8	E271 K278 Q279	E271-L275 WeakPolarHBondContact O-CB 3.45Å; E271-L275 VanDerWaalsContact O-CG 3.32Å; E271-L275 WeakPolarHBondContact O-CG 3.41Å; E271-L275 PolarHBondContact O-N 3.42Å; L275-K278 PolarHBondContact O-N 3.49Å; L275-Q279 PolarHBondContact O-N 3.49Å
276	K	87.8	Confident	86.1	Confident	106 Å²	106	92.7 Å²	92.7	46%	0.461	46%	0.461	S	S	.	.	H	α-helix	trans	-66.3	-43	175.3	179.8	150.3	179.4	48	0	112.8	L272 Q273 S274 K278 Q279 D280	L272-K276 WeakPolarHBondContact O-CB 3.38Å; L272-K276 PolarHBondContact O-N 3.15Å; Q273-K276 PolarHBondContact O-N 3.42Å; S274-K276 VanDerWaalsContact C-N 3.34Å; K276-K278 VanDerWaalsContact C-N 3.27Å; K276-K278 PolarHBondContact O-N 3.09Å; K276-Q279 WeakPolarHBondContact O-CB 3.34Å; K276-Q279 PolarHBondContact O-N 2.58Å; K276-Q279 VanDerWaalsContact O-N 3.12Å; K276-D280 VanDerWaalsContact NZ-CG 3.25Å; K276-D280 IonicContact NZ-OD1 2.62Å; K276-D280 PolarHBondContact NZ-OD1 3.17Å; K276-D280 IonicContact NZ-OD2 3.7Å; K276-D280 PolarHBondContact NZ-OD2 3.5Å; K276-D280 VanDerWaalsContact O-CG 3.25Å; K276-D280 PolarHBondContact O-N 3.09Å
277	I	90.9	Very high	86.6	Confident	97 Å²	97	94.1 Å²	94.1	50%	0.497	46%	0.459	S	S	.	.	H	α-helix	trans	-59	-42.6	175.1	-66.6	165	0	0	0	110.4	Q273 S274 D280 E281	Q273-I277 WeakPolarHBondContact O-CG1 3.37Å; Q273-I277 PolarHBondContact O-N 3.33Å; Q273-I277 VanDerWaalsContact O-N 3.11Å; S274-I277 PolarHBondContact O-N 3.12Å; I277-D280 PolarHBondContact O-N 2.95Å; I277-E281 PolarHBondContact O-N 2.98Å; I277-E281 VanDerWaalsContact O-N 3.07Å
278	K	90.1	Very high	87.1	Confident	118 Å²	118	93.6 Å²	93.6	51%	0.513	46%	0.46	S	S	.	.	H	α-helix	trans	-62.4	-42.4	173.6	-70.9	175.1	179.8	177.5	0	112.7	S274 L275 K276 E281 L282	S274-K278 WeakPolarHBondContact O-CG 3.35Å; S274-K278 PolarHBondContact O-N 3.32Å; S274-K278 VanDerWaalsContact O-N 3.13Å; L275-K278 PolarHBondContact O-N 3.49Å; K276-K278 VanDerWaalsContact C-N 3.27Å; K276-K278 PolarHBondContact O-N 3.09Å; K278-E281 WeakPolarHBondContact O-CB 3.27Å; K278-E281 PolarHBondContact O-N 2.65Å; K278-L282 VanDerWaalsContact O-CG 3.32Å; K278-L282 WeakPolarHBondContact O-CG 3.36Å; K278-L282 PolarHBondContact O-N 2.94Å
279	Q	88.3	Confident	87.8	Confident	100 Å²	100	92.6 Å²	92.6	47%	0.467	46%	0.459	S	S	.	.	H	α-helix	trans	-57.6	-51.6	175.4	178.6	-174.9	-13.7	0	0	110.7	L275 K276 E281 L282 E283	L275-Q279 PolarHBondContact O-N 3.49Å; K276-Q279 WeakPolarHBondContact O-CB 3.34Å; K276-Q279 PolarHBondContact O-N 2.58Å; K276-Q279 VanDerWaalsContact O-N 3.12Å; Q279-E281 VanDerWaalsContact C-N 3.28Å; Q279-E281 PolarHBondContact O-N 3.45Å; Q279-L282 PolarHBondContact O-N 3.33Å; Q279-L282 VanDerWaalsContact O-N 3.08Å; Q279-E283 HydrophobicContact CG-CG 4.41Å; Q279-E283 WeakPolarHBondContact CG-OE1 3.41Å; Q279-E283 PolarHBondContact NE2-OE1 3.1Å; Q279-E283 WeakPolarHBondContact O-CG 3.49Å; Q279-E283 PolarHBondContact O-N 2.93Å
280	D	90.1	Very high	88.4	Confident	65 Å²	65	91.2 Å²	91.2	35%	0.348	45%	0.445	S	S	.	.	H	α-helix	trans	-61.4	-37.3	-176.4	-62.2	-22	0	0	0	111.2	K276 I277 E284	K276-D280 VanDerWaalsContact NZ-CG 3.25Å; K276-D280 IonicContact NZ-OD1 2.62Å; K276-D280 PolarHBondContact NZ-OD1 3.17Å; K276-D280 IonicContact NZ-OD2 3.7Å; K276-D280 PolarHBondContact NZ-OD2 3.5Å; K276-D280 VanDerWaalsContact O-CG 3.25Å; K276-D280 PolarHBondContact O-N 3.09Å; I277-D280 PolarHBondContact O-N 2.95Å; D280-E284 PolarHBondContact O-N 2.89Å
281	E	91.8	Very high	88.7	Confident	94 Å²	94	90.2 Å²	90.2	44%	0.439	45%	0.447	S	S	.	.	H	α-helix	trans	-63.4	-45.7	170.4	-87.1	-168.8	-134.1	0	0	114.1	I277 K278 Q279 E283 E284 K285	I277-E281 PolarHBondContact O-N 2.98Å; I277-E281 VanDerWaalsContact O-N 3.07Å; K278-E281 WeakPolarHBondContact O-CB 3.27Å; K278-E281 PolarHBondContact O-N 2.65Å; Q279-E281 VanDerWaalsContact C-N 3.28Å; Q279-E281 PolarHBondContact O-N 3.45Å; E281-E283 VanDerWaalsContact C-N 3.35Å; E281-E284 PolarHBondContact O-N 3.4Å; E281-K285 WeakPolarHBondContact O-CD 3.36Å; E281-K285 WeakPolarHBondContact O-CG 3.34Å; E281-K285 PolarHBondContact O-N 3.44Å; E281-K285 VanDerWaalsContact O-N 3.12Å; E281-K285 IonicContact OE2-NZ 3.68Å; E281-K285 PolarHBondContact OE2-NZ 3.1Å
282	L	88.2	Confident	88.9	Confident	54 Å²	54	90.2 Å²	90.2	28%	0.283	45%	0.447	S	S	.	.	H	α-helix	trans	-68.9	-36.4	-178.7	-68	-173.6	0	0	0	111	Q89 K278 Q279 E284 K285 L286	Q89-L282 HydrophobicContact CB-CD1 4.47Å; Q89-L282 HydrophobicContact CB-CD2 3.87Å; K278-L282 VanDerWaalsContact O-CG 3.32Å; K278-L282 WeakPolarHBondContact O-CG 3.36Å; K278-L282 PolarHBondContact O-N 2.94Å; Q279-L282 PolarHBondContact O-N 3.33Å; Q279-L282 VanDerWaalsContact O-N 3.08Å; L282-E284 VanDerWaalsContact C-N 3.33Å; L282-E284 PolarHBondContact O-N 2.8Å; L282-K285 HydrophobicContact CD2-CD 4.14Å; L282-K285 PolarHBondContact O-N 3Å; L282-L286 WeakPolarHBondContact O-CB 3.36Å; L282-L286 WeakPolarHBondContact O-CG 3.45Å; L282-L286 PolarHBondContact O-N 2.79Å
283	E	90	Very high	89.2	Confident	76 Å²	76	89 Å²	89	36%	0.355	44%	0.44	S	S	.	.	H	α-helix	trans	-62.9	-36.7	172.5	-71.6	-177.2	-162.3	0	0	112.3	Q279 E281 L286 R287	Q279-E283 HydrophobicContact CG-CG 4.41Å; Q279-E283 WeakPolarHBondContact CG-OE1 3.41Å; Q279-E283 PolarHBondContact NE2-OE1 3.1Å; Q279-E283 WeakPolarHBondContact O-CG 3.49Å; Q279-E283 PolarHBondContact O-N 2.93Å; E281-E283 VanDerWaalsContact C-N 3.35Å; E283-L286 PolarHBondContact O-N 3.11Å; E283-R287 WeakPolarHBondContact O-CG 3.44Å; E283-R287 PolarHBondContact O-N 3.04Å; E283-R287 IonicContact OE2-NH1 3.23Å
284	E	91.6	Very high	89.4	Confident	119 Å²	119	86 Å²	86	56%	0.556	43%	0.429	S	S	*	.	H	α-helix	trans	-67.4	-41.8	174.5	-170.6	166.4	-150.9	0	0	112.7	D280 E281 L282 L286 R287 T288	D280-E284 PolarHBondContact O-N 2.89Å; E281-E284 PolarHBondContact O-N 3.4Å; L282-E284 VanDerWaalsContact C-N 3.33Å; L282-E284 PolarHBondContact O-N 2.8Å; E284-L286 VanDerWaalsContact C-N 3.31Å; E284-L286 PolarHBondContact O-N 3.28Å; E284-R287 PolarHBondContact O-N 3.26Å; E284-T288 PolarHBondContact O-N 2.76Å; E284-T288 PolarHBondContact O-OG1 3.31Å
285	K	92.2	Very high	89.5	Confident	85 Å²	85	89.3 Å²	89.3	37%	0.37	44%	0.441	S	S	.	.	H	α-helix	trans	-62	-39.7	174.2	-67.6	159	-166.5	159.1	0	111	E281 L282 T288 T289	E281-K285 WeakPolarHBondContact O-CD 3.36Å; E281-K285 WeakPolarHBondContact O-CG 3.34Å; E281-K285 PolarHBondContact O-N 3.44Å; E281-K285 VanDerWaalsContact O-N 3.12Å; E281-K285 IonicContact OE2-NZ 3.68Å; E281-K285 PolarHBondContact OE2-NZ 3.1Å; L282-K285 HydrophobicContact CD2-CD 4.14Å; L282-K285 PolarHBondContact O-N 3Å; K285-T288 PolarHBondContact O-N 2.92Å; K285-T289 WeakPolarHBondContact O-CB 3.46Å; K285-T289 PolarHBondContact O-N 3.11Å; K285-T289 PolarHBondContact O-OG1 3.03Å
286	L	87.1	Confident	89.7	Confident	36 Å²	36	89 Å²	89	19%	0.188	44%	0.443	C	S	.	.	H	α-helix	trans	-64.6	-46.3	173.8	-76.1	163	0	0	0	112.5	T85 L282 E283 E284 T288 T289 E290	T85-L286 HydrophobicContact CG2-CB 4.25Å; T85-L286 HydrophobicContact CG2-CD2 4.39Å; T85-L286 VanDerWaalsContact O-CD1 3.25Å; T85-L286 WeakPolarHBondContact O-CD1 3.32Å; T85-L286 WeakPolarHBondContact O-CD2 3.34Å; L282-L286 WeakPolarHBondContact O-CB 3.36Å; L282-L286 WeakPolarHBondContact O-CG 3.45Å; L282-L286 PolarHBondContact O-N 2.79Å; E283-L286 PolarHBondContact O-N 3.11Å; E284-L286 VanDerWaalsContact C-N 3.31Å; E284-L286 PolarHBondContact O-N 3.28Å; L286-T288 VanDerWaalsContact C-N 3.27Å; L286-T288 PolarHBondContact O-N 3.04Å; L286-T289 PolarHBondContact O-N 3.04Å; L286-E290 WeakPolarHBondContact O-CB 3.3Å; L286-E290 PolarHBondContact O-N 2.83Å
287	R	89.5	Confident	89.7	Confident	137 Å²	137	87 Å²	87	52%	0.517	44%	0.435	S	S	.	.	H	α-helix	trans	-56.1	-42.2	174.6	-74.3	-175.7	-64.3	-96.1	5.4	111.8	E283 E284 E290 T291	E283-R287 WeakPolarHBondContact O-CG 3.44Å; E283-R287 PolarHBondContact O-N 3.04Å; E283-R287 IonicContact OE2-NH1 3.23Å; E284-R287 PolarHBondContact O-N 3.26Å; R287-E290 PolarHBondContact O-N 3.11Å; R287-T291 PolarHBondContact O-N 3.4Å; R287-T291 VanDerWaalsContact O-N 3.16Å
288	T	90.6	Very high	89.7	Confident	72 Å²	72	84.8 Å²	84.8	44%	0.442	43%	0.43	S	S	.	.	H	α-helix	trans	-69	-43.4	178.9	-53	0	0	0	0	112	E284 K285 L286 E290 T291 E292	E284-T288 PolarHBondContact O-N 2.76Å; E284-T288 PolarHBondContact O-OG1 3.31Å; K285-T288 PolarHBondContact O-N 2.92Å; L286-T288 VanDerWaalsContact C-N 3.27Å; L286-T288 PolarHBondContact O-N 3.04Å; T288-E290 VanDerWaalsContact C-N 3.26Å; T288-E290 PolarHBondContact O-N 2.69Å; T288-T291 PolarHBondContact O-N 3.47Å; T288-T291 PolarHBondContact O-OG1 2.86Å; T288-E292 PolarHBondContact O-N 3.04Å
289	T	87.7	Confident	89.6	Confident	74 Å²	74	83.9 Å²	83.9	45%	0.454	43%	0.426	S	S	.	.	H	α-helix	trans	-63.2	-34.4	176.2	-48.8	0	0	0	0	111.4	K285 L286 L293	K285-T289 WeakPolarHBondContact O-CB 3.46Å; K285-T289 PolarHBondContact O-N 3.11Å; K285-T289 PolarHBondContact O-OG1 3.03Å; L286-T289 PolarHBondContact O-N 3.04Å; T289-L293 WeakPolarHBondContact O-CB 3.3Å; T289-L293 PolarHBondContact O-N 3.3Å
290	E	90.5	Very high	89.5	Confident	39 Å²	39	86 Å²	86	18%	0.182	43%	0.43	C	S	.	.	H	α-helix	trans	-73.2	-36	178.3	-178.9	146.5	-126.9	0	0	113.3	T85 L286 R287 T288 L293 N294	T85-E290 HydrophobicContact CG2-CB 4.42Å; T85-E290 WeakPolarHBondContact CG2-OE2 3.1Å; L286-E290 WeakPolarHBondContact O-CB 3.3Å; L286-E290 PolarHBondContact O-N 2.83Å; R287-E290 PolarHBondContact O-N 3.11Å; T288-E290 VanDerWaalsContact C-N 3.26Å; T288-E290 PolarHBondContact O-N 2.69Å; E290-L293 PolarHBondContact O-N 3.25Å; E290-N294 WeakPolarHBondContact CG-ND2 3.44Å; E290-N294 VanDerWaalsContact O-CB 3.31Å; E290-N294 WeakPolarHBondContact O-CB 3.31Å; E290-N294 PolarHBondContact O-N 3.46Å; E290-N294 PolarHBondContact O-ND2 2.91Å
291	T	90.7	Very high	89.3	Confident	94 Å²	94	91.9 Å²	91.9	58%	0.577	45%	0.447	S	S	*	.	H	α-helix	trans	-67	-43.2	174.4	53.8	0	0	0	0	111.6	R287 T288 N294 L295	R287-T291 PolarHBondContact O-N 3.4Å; R287-T291 VanDerWaalsContact O-N 3.16Å; T288-T291 PolarHBondContact O-N 3.47Å; T288-T291 PolarHBondContact O-OG1 2.86Å; T291-N294 PolarHBondContact O-N 3.04Å; T291-L295 PolarHBondContact O-N 3.44Å
292	E	90.9	Very high	89.2	Confident	122 Å²	122	92.3 Å²	92.3	57%	0.57	45%	0.449	S	S	*	.	H	α-helix	trans	-58.5	-49.4	171.8	-71	-175.2	169.5	0	0	112	T288 N294 L295 V296	T288-E292 PolarHBondContact O-N 3.04Å; E292-N294 PolarHBondContact O-N 3.43Å; E292-L295 WeakPolarHBondContact O-CB 3.2Å; E292-L295 PolarHBondContact O-N 3.05Å; E292-L295 VanDerWaalsContact O-N 3.1Å; E292-V296 WeakPolarHBondContact O-CG2 3.44Å; E292-V296 PolarHBondContact O-N 2.79Å
293	L	87.7	Confident	89	Confident	82 Å²	82	94.1 Å²	94.1	43%	0.429	46%	0.459	S	S	.	.	H	α-helix	trans	-60.4	-33.3	177.9	178	62.6	0	0	0	111.8	T289 E290 K297	T289-L293 WeakPolarHBondContact O-CB 3.3Å; T289-L293 PolarHBondContact O-N 3.3Å; E290-L293 PolarHBondContact O-N 3.25Å; L293-K297 WeakPolarHBondContact O-CB 3.44Å; L293-K297 WeakPolarHBondContact O-CG 3.5Å; L293-K297 PolarHBondContact O-N 2.76Å
294	N	89.5	Confident	88.5	Confident	74 Å²	74	96 Å²	96	40%	0.396	47%	0.466	S	S	.	.	H	α-helix	trans	-74.6	-34.3	175.3	-72.7	-31.4	0	0	0	112.9	E290 T291 E292 K297 A298	E290-N294 WeakPolarHBondContact CG-ND2 3.44Å; E290-N294 VanDerWaalsContact O-CB 3.31Å; E290-N294 WeakPolarHBondContact O-CB 3.31Å; E290-N294 PolarHBondContact O-N 3.46Å; E290-N294 PolarHBondContact O-ND2 2.91Å; T291-N294 PolarHBondContact O-N 3.04Å; E292-N294 PolarHBondContact O-N 3.43Å; N294-K297 PolarHBondContact O-N 3.08Å; N294-K297 WeakPolarHBondContact OD1-CD 3.18Å; N294-K297 PolarHBondContact OD1-NZ 2.85Å; N294-A298 WeakPolarHBondContact O-CB 3.44Å; N294-A298 PolarHBondContact O-N 3.28Å
295	L	91.9	Very high	88	Confident	129 Å²	129	95.6 Å²	95.6	68%	0.675	46%	0.464	S	S	*	.	H	α-helix	trans	-62.7	-45.1	169.6	-174.7	66.9	0	0	0	111.4	T291 E292 K297 A298 K299	T291-L295 PolarHBondContact O-N 3.44Å; E292-L295 WeakPolarHBondContact O-CB 3.2Å; E292-L295 PolarHBondContact O-N 3.05Å; E292-L295 VanDerWaalsContact O-N 3.1Å; L295-K297 PolarHBondContact O-N 3.21Å; L295-A298 WeakPolarHBondContact O-CB 3.44Å; L295-A298 PolarHBondContact O-N 3.15Å; L295-A298 VanDerWaalsContact O-N 3.11Å; L295-K299 PolarHBondContact O-N 3.47Å
296	V	87.4	Confident	87.5	Confident	97 Å²	97	96.5 Å²	96.5	59%	0.588	47%	0.469	S	S	*	.	H	α-helix	trans	-62.8	-42.4	175.4	173.8	0	0	0	0	111.5	E292 A298 R300	E292-V296 WeakPolarHBondContact O-CG2 3.44Å; E292-V296 PolarHBondContact O-N 2.79Å; V296-A298 VanDerWaalsContact C-N 3.29Å; V296-A298 PolarHBondContact O-N 3.49Å; V296-R300 VanDerWaalsContact O-CB 3.32Å; V296-R300 WeakPolarHBondContact O-CB 3.38Å; V296-R300 PolarHBondContact O-N 3.39Å
297	K	87.9	Confident	87	Confident	64 Å²	64	99.1 Å²	99.1	28%	0.278	48%	0.477	S	S	.	.	H	α-helix	trans	-60.3	-37.1	172.3	-73	165.3	-163.2	148.5	0	111.9	L293 N294 L295 R301	L293-K297 WeakPolarHBondContact O-CB 3.44Å; L293-K297 WeakPolarHBondContact O-CG 3.5Å; L293-K297 PolarHBondContact O-N 2.76Å; N294-K297 PolarHBondContact O-N 3.08Å; N294-K297 WeakPolarHBondContact OD1-CD 3.18Å; N294-K297 PolarHBondContact OD1-NZ 2.85Å; L295-K297 PolarHBondContact O-N 3.21Å; K297-R301 WeakPolarHBondContact O-CG 3.29Å; K297-R301 PolarHBondContact O-N 2.68Å
298	A	89.3	Confident	86.4	Confident	49 Å²	49	95.4 Å²	95.4	41%	0.405	47%	0.472	S	S	.	.	H	α-helix	trans	-67.8	-52.4	178.1	0	0	0	0	0	111.5	N294 L295 V296 R300 R301 E302	N294-A298 WeakPolarHBondContact O-CB 3.44Å; N294-A298 PolarHBondContact O-N 3.28Å; L295-A298 WeakPolarHBondContact O-CB 3.44Å; L295-A298 PolarHBondContact O-N 3.15Å; L295-A298 VanDerWaalsContact O-N 3.11Å; V296-A298 VanDerWaalsContact C-N 3.29Å; V296-A298 PolarHBondContact O-N 3.49Å; A298-R300 VanDerWaalsContact C-N 3.26Å; A298-R300 PolarHBondContact O-N 2.99Å; A298-R301 WeakPolarHBondContact O-CA 3.27Å; A298-R301 WeakPolarHBondContact O-CB 3.24Å; A298-R301 PolarHBondContact O-N 3.36Å; A298-E302 PolarHBondContact O-N 2.83Å
299	K	89.6	Confident	85.7	Confident	100 Å²	100	96.1 Å²	96.1	44%	0.435	47%	0.473	S	S	.	.	H	α-helix	trans	-58.5	-37.2	176.6	-164.7	76.7	-149.2	169.1	0	112	L295 R301 E302 L303	L295-K299 PolarHBondContact O-N 3.47Å; K299-R301 VanDerWaalsContact C-N 3.3Å; K299-R301 PolarHBondContact O-N 3.48Å; K299-E302 VanDerWaalsContact CD-OE2 3.28Å; K299-E302 WeakPolarHBondContact CD-OE2 3.22Å; K299-E302 VanDerWaalsContact CE-OE2 3.28Å; K299-E302 WeakPolarHBondContact CE-OE2 3.38Å; K299-E302 IonicContact NZ-OE1 2.68Å; K299-E302 PolarHBondContact NZ-OE1 3.05Å; K299-E302 IonicContact NZ-OE2 3.34Å; K299-E302 PolarHBondContact NZ-OE2 3.05Å; K299-E302 PolarHBondContact O-N 3.1Å; K299-L303 HydrophobicContact CG-CD1 4.08Å; K299-L303 HydrophobicContact CG-CG 4.42Å; K299-L303 WeakPolarHBondContact O-CG 3.43Å; K299-L303 PolarHBondContact O-N 3.05Å
300	R	85.8	Confident	85	Confident	145 Å²	145	97.8 Å²	97.8	55%	0.547	48%	0.479	S	S	.	.	H	α-helix	trans	-65.7	-26.4	174.2	-170.8	179.3	-177.9	-150.1	2.7	113.7	V296 A298 K304	V296-R300 VanDerWaalsContact O-CB 3.32Å; V296-R300 WeakPolarHBondContact O-CB 3.38Å; V296-R300 PolarHBondContact O-N 3.39Å; A298-R300 VanDerWaalsContact C-N 3.26Å; A298-R300 PolarHBondContact O-N 2.99Å; R300-K304 WeakPolarHBondContact O-CB 3.39Å; R300-K304 WeakPolarHBondContact O-CG 3.18Å
301	R	86.4	Confident	83.9	Confident	188 Å²	188	99.3 Å²	99.3	71%	0.709	49%	0.487	S	S	*	.	H	α-helix	trans	-78.5	-43.8	172.8	-72	169.9	-178.2	169.8	1.3	111.1	K297 A298 K299 K304 Q305	K297-R301 WeakPolarHBondContact O-CG 3.29Å; K297-R301 PolarHBondContact O-N 2.68Å; A298-R301 WeakPolarHBondContact O-CA 3.27Å; A298-R301 WeakPolarHBondContact O-CB 3.24Å; A298-R301 PolarHBondContact O-N 3.36Å; K299-R301 VanDerWaalsContact C-N 3.3Å; K299-R301 PolarHBondContact O-N 3.48Å; R301-K304 WeakPolarHBondContact O-CB 3.32Å; R301-K304 PolarHBondContact O-N 3.02Å; R301-Q305 PolarHBondContact O-N 3.1Å
302	E	88.5	Confident	82.3	Confident	103 Å²	103	100.8 Å²	100.8	48%	0.481	49%	0.488	S	S	.	.	H	α-helix	trans	-56.4	-55.4	176.8	-169.9	-166.5	154.5	0	0	111.5	A298 K299 K304 Q305 E306	A298-E302 PolarHBondContact O-N 2.83Å; K299-E302 VanDerWaalsContact CD-OE2 3.28Å; K299-E302 WeakPolarHBondContact CD-OE2 3.22Å; K299-E302 VanDerWaalsContact CE-OE2 3.28Å; K299-E302 WeakPolarHBondContact CE-OE2 3.38Å; K299-E302 IonicContact NZ-OE1 2.68Å; K299-E302 PolarHBondContact NZ-OE1 3.05Å; K299-E302 IonicContact NZ-OE2 3.34Å; K299-E302 PolarHBondContact NZ-OE2 3.05Å; K299-E302 PolarHBondContact O-N 3.1Å; E302-K304 PolarHBondContact O-N 3.25Å; E302-Q305 WeakPolarHBondContact O-CA 3.22Å; E302-Q305 WeakPolarHBondContact O-CB 3.31Å; E302-Q305 PolarHBondContact O-N 2.82Å; E302-E306 PolarHBondContact O-N 3.49Å
303	L	83.9	Confident	80.5	Confident	91 Å²	91	97.2 Å²	97.2	48%	0.476	48%	0.483	S	S	.	.	H	α-helix	trans	-61.8	-27.8	178.4	-66.9	170.6	0	0	0	113.1	K299 R307	K299-L303 HydrophobicContact CG-CD1 4.08Å; K299-L303 HydrophobicContact CG-CG 4.42Å; K299-L303 WeakPolarHBondContact O-CG 3.43Å; K299-L303 PolarHBondContact O-N 3.05Å; L303-R307 PolarHBondContact O-N 3.1Å
304	K	79.2	Confident	78.8	Confident	115 Å²	115	99.1 Å²	99.1	50%	0.5	49%	0.494	S	S	.	.	H	α-helix	trans	-71.9	-39.9	172.2	-86.9	-170.8	170.5	-152.8	0	112.3	R300 R301 E302 E306 S308	R300-K304 WeakPolarHBondContact O-CB 3.39Å; R300-K304 WeakPolarHBondContact O-CG 3.18Å; R301-K304 WeakPolarHBondContact O-CB 3.32Å; R301-K304 PolarHBondContact O-N 3.02Å; E302-K304 PolarHBondContact O-N 3.25Å; K304-E306 VanDerWaalsContact C-N 3.35Å; K304-S308 WeakPolarHBondContact O-CB 3.39Å; K304-S308 PolarHBondContact O-N 2.83Å
305	Q	82.4	Confident	76.6	Confident	112 Å²	112	102 Å²	102	52%	0.523	51%	0.509	S	S	.	.	H	α-helix	trans	-66.7	-40.7	174.5	-170.5	62.2	55.5	0	0	110.6	R301 E302 S308 N309	R301-Q305 PolarHBondContact O-N 3.1Å; E302-Q305 WeakPolarHBondContact O-CA 3.22Å; E302-Q305 WeakPolarHBondContact O-CB 3.31Å; E302-Q305 PolarHBondContact O-N 2.82Å; Q305-S308 WeakPolarHBondContact O-CB 3.29Å; Q305-S308 PolarHBondContact O-N 2.9Å; Q305-N309 PolarHBondContact NE2-OD1 3.48Å; Q305-N309 PolarHBondContact O-N 2.78Å; Q305-N309 PolarHBondContact O-OD1 3.4Å; Q305-N309 VanDerWaalsContact O-OD1 3.1Å
306	E	80.3	Confident	74.2	Confident	103 Å²	103	103 Å²	103	48%	0.481	51%	0.51	S	S	.	.	H	α-helix	trans	-61.5	-49.3	175.6	-169.2	173.3	-159.8	0	0	112	E302 K304 S308 N309 L310	E302-E306 PolarHBondContact O-N 3.49Å; K304-E306 VanDerWaalsContact C-N 3.35Å; E306-S308 VanDerWaalsContact C-N 3.28Å; E306-S308 PolarHBondContact O-N 2.8Å; E306-N309 PolarHBondContact O-N 2.83Å; E306-L310 HydrophobicContact CG-CD1 4.25Å; E306-L310 WeakPolarHBondContact O-CG 3.12Å; E306-L310 PolarHBondContact O-N 2.89Å
307	R	77.9	Confident	71.7	Confident	92 Å²	92	102.8 Å²	102.8	35%	0.347	51%	0.513	S	S	.	.	H	α-helix	trans	-56	-42	170.8	179.7	176.6	173.5	-164.4	-5.5	111.6	L303 L310 L311 Q474 E479	L303-R307 PolarHBondContact O-N 3.1Å; R307-L310 PolarHBondContact O-N 3.1Å; R307-L311 HydrophobicContact CG-CD1 3.85Å; R307-L311 HydrophobicContact CG-CG 4.24Å; R307-L311 WeakPolarHBondContact O-CB 3.43Å; R307-L311 VanDerWaalsContact O-CG 3.3Å; R307-L311 WeakPolarHBondContact O-CG 3.33Å; R307-L311 PolarHBondContact O-N 2.91Å; R307-Q474 PolarHBondContact NH1-O 2.88Å; R307-Q474 VanDerWaalsContact NH1-O 3.11Å; R307-Q474 PolarHBondContact NH2-O 3.44Å; R307-E479 IonicContact CZ-OE1 2.77Å; R307-E479 VanDerWaalsContact NH2-CD 3.3Å; R307-E479 IonicContact NH2-OE1 3.8Å; R307-E479 PolarHBondContact NH2-OE1 3.04Å; R307-E479 IonicContact NH2-OE2 3.69Å; R307-E479 PolarHBondContact NH2-OE2 3.08Å; R307-E479 VanDerWaalsContact NH2-OE2 3.11Å
308	S	75.5	Confident	69.3	Low	59 Å²	59	107.9 Å²	107.9	41%	0.413	54%	0.543	S	S	.	.	H	α-helix	trans	-63.2	-43	178.8	-165.7	0	0	0	0	112.2	K304 Q305 E306 Q312	K304-S308 WeakPolarHBondContact O-CB 3.39Å; K304-S308 PolarHBondContact O-N 2.83Å; Q305-S308 WeakPolarHBondContact O-CB 3.29Å; Q305-S308 PolarHBondContact O-N 2.9Å; E306-S308 VanDerWaalsContact C-N 3.28Å; E306-S308 PolarHBondContact O-N 2.8Å; S308-Q312 WeakPolarHBondContact O-CB 3.44Å; S308-Q312 PolarHBondContact O-N 2.74Å
309	N	77.3	Confident	66.9	Low	87 Å²	87	111 Å²	111	47%	0.465	56%	0.562	S	S	.	*	H	α-helix	trans	-66.7	-42.1	178.8	-64.7	-1.4	0	0	0	111.1	Q305 E306 Q312 G313	Q305-N309 PolarHBondContact NE2-OD1 3.48Å; Q305-N309 PolarHBondContact O-N 2.78Å; Q305-N309 PolarHBondContact O-OD1 3.4Å; Q305-N309 VanDerWaalsContact O-OD1 3.1Å; E306-N309 PolarHBondContact O-N 2.83Å; N309-Q312 PolarHBondContact O-N 3.25Å; N309-G313 PolarHBondContact O-N 3.18Å
310	L	72.9	Confident	64.5	Low	109 Å²	109	113.6 Å²	113.6	57%	0.571	58%	0.58	S	S	*	*	H	α-helix	trans	-64	-46.5	177.1	-71.2	168.5	0	0	0	111.9	E306 R307 Q312 G313 L314	E306-L310 HydrophobicContact CG-CD1 4.25Å; E306-L310 WeakPolarHBondContact O-CG 3.12Å; E306-L310 PolarHBondContact O-N 2.89Å; R307-L310 PolarHBondContact O-N 3.1Å; L310-Q312 VanDerWaalsContact C-N 3.26Å; L310-Q312 PolarHBondContact O-N 2.84Å; L310-G313 PolarHBondContact O-N 3.29Å; L310-L314 WeakPolarHBondContact O-CG 3.13Å; L310-L314 PolarHBondContact O-N 3.06Å
311	L	67.2	Low	62.1	Low	70 Å²	70	113.8 Å²	113.8	37%	0.366	59%	0.591	S	S	.	*	H	α-helix	trans	-61.8	-34	174.7	-72.9	173.9	0	0	0	112.4	R307 L314 N315	R307-L311 HydrophobicContact CG-CD1 3.85Å; R307-L311 HydrophobicContact CG-CG 4.24Å; R307-L311 WeakPolarHBondContact O-CB 3.43Å; R307-L311 VanDerWaalsContact O-CG 3.3Å; R307-L311 WeakPolarHBondContact O-CG 3.33Å; R307-L311 PolarHBondContact O-N 2.91Å; L311-L314 PolarHBondContact O-N 3.41Å; L311-N315 PolarHBondContact O-N 2.85Å; L311-N315 PolarHBondContact O-ND2 2.85Å
312	Q	56.5	Low	59.8	Low	126 Å²	126	113.2 Å²	113.2	59%	0.589	60%	0.596	S	S	*	*	H	α-helix	trans	-70.8	-34.5	176.5	-163.8	165.2	22.4	0	0	112.2	S308 N309 L310	S308-Q312 WeakPolarHBondContact O-CB 3.44Å; S308-Q312 PolarHBondContact O-N 2.74Å; N309-Q312 PolarHBondContact O-N 3.25Å; L310-Q312 VanDerWaalsContact C-N 3.26Å; L310-Q312 PolarHBondContact O-N 2.84Å
313	G	52.6	Low	57.3	Low	46 Å²	46	112.9 Å²	112.9	47%	0.474	61%	0.605	S	S	.	*	H	α-helix	trans	-69.3	-34.6	172.2	0	0	0	0	0	114	N309 L310 N315 H316	N309-G313 PolarHBondContact O-N 3.18Å; L310-G313 PolarHBondContact O-N 3.29Å; G313-N315 VanDerWaalsContact C-N 3.29Å; G313-N315 PolarHBondContact O-N 2.62Å; G313-H316 PolarHBondContact O-N 3.48Å
314	L	51.9	Low	55.2	Low	123 Å²	123	116.7 Å²	116.7	64%	0.644	62%	0.62	S	S	*	*	H	α-helix	trans	-70.7	-20.4	179.4	-71.6	164.4	0	0	0	113.8	L310 L311 H316	L310-L314 WeakPolarHBondContact O-CG 3.13Å; L310-L314 PolarHBondContact O-N 3.06Å; L311-L314 PolarHBondContact O-N 3.41Å; L314-H316 PolarHBondContact O-N 3.29Å
315	N	43.5	Very low	53.1	Low	134 Å²	134	116.7 Å²	116.7	72%	0.717	63%	0.629	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.7	14.6	176.9	-71.5	-31	0	0	0	114	L311 G313	L311-N315 PolarHBondContact O-N 2.85Å; L311-N315 PolarHBondContact O-ND2 2.85Å; G313-N315 VanDerWaalsContact C-N 3.29Å; G313-N315 PolarHBondContact O-N 2.62Å
316	H	42.6	Very low	50.9	Low	149 Å²	149	117.8 Å²	117.8	69%	0.69	64%	0.639	S	S	*	*	T	Hydrogen-bonded Turn	trans	-128.5	35.6	-178.8	-65.4	-31.6	0	0	0	112.3	G313 L314	G313-H316 PolarHBondContact O-N 3.48Å; L314-H316 PolarHBondContact O-N 3.29Å
317	S	34.2	Very low	48.6	Very low	93 Å²	93	119 Å²	119	65%	0.65	65%	0.653	S	S	*	*			trans	-139.5	64.5	-179	-60.6	0	0	0	0	111.7
318	D	37.7	Very low	46.7	Very low	172 Å²	172	120 Å²	120	92%	0.92	67%	0.674	S	S	*	*			trans	-168.7	68.9	161.1	-97.4	-24.3	0	0	0	109.5
319	S	38.7	Very low	44.7	Very low	115 Å²	115	129 Å²	129	80%	0.804	70%	0.7	S	S	*	*			trans	-158.7	96.3	168.8	64	0	0	0	0	110.8
320	D	39.4	Very low	42.7	Very low	153 Å²	153	130.6 Å²	130.6	82%	0.818	72%	0.717	S	S	*	*			trans	-77.9	143.1	-179.2	-91.6	-47.7	0	0	0	113.5
321	I	36.6	Very low	40.7	Very low	149 Å²	149	135.1 Å²	135.1	76%	0.764	73%	0.733	S	S	*	*			trans	51	100.4	147.9	-51.7	162.4	0	0	0	117.1
322	E	36.8	Very low	39.4	Very low	177 Å²	177	137 Å²	137	83%	0.827	75%	0.748	S	S	*	*				-162.5	124.2	116.5	-118.6	-177.5	175.1	0	0	115.7
323	S	36.5	Very low	38.2	Very low	95 Å²	95	137.2 Å²	137.2	66%	0.664	76%	0.759	S	S	*	*			trans	73.3	121.9	145.1	81.1	0	0	0	0	122.8
324	H	38.5	Very low	37.2	Very low	171 Å²	171	141.8 Å²	141.8	79%	0.792	77%	0.773	S	S	*	*			trans	66.1	90.4	138.2	-58.7	-46.2	0	0	0	124.6
325	V	36.3	Very low	36.3	Very low	115 Å²	115	142.9 Å²	142.9	70%	0.697	78%	0.777	S	S	*	*				77.4	121.5	105.7	167.4	0	0	0	0	121.2
326	N	35.2	Very low	35.7	Very low	136 Å²	136	146.7 Å²	146.7	73%	0.727	78%	0.782	S	S	*	*			trans	71.6	89.2	151.3	-67.7	-6.2	0	0	0	122.9
327	T	32.2	Very low	35.3	Very low	127 Å²	127	146.1 Å²	146.1	78%	0.779	78%	0.779	S	S	*	*				40.4	111.4	103.4	-48.2	0	0	0	0	119.9
328	S	37.7	Very low	35.1	Very low	113 Å²	113	148.3 Å²	148.3	79%	0.79	78%	0.784	S	S	*	*				-178.6	100.7	116.9	39.5	0	0	0	0	116.8
329	R	33.6	Very low	35	Very low	250 Å²	250	146.4 Å²	146.4	94%	0.943	78%	0.778	S	S	*	*			trans	3.9	118	138.6	-179.4	-169.6	-171.5	176.5	3.4	119.1
330	S	35.9	Very low	34.6	Very low	120 Å²	120	146.4 Å²	146.4	84%	0.839	78%	0.778	S	S	*	*			trans	-167.2	179.9	132.7	53.2	0	0	0	0	112
331	K	32.1	Very low	34.2	Very low	204 Å²	204	146.6 Å²	146.6	89%	0.887	78%	0.778	S	S	*	*			trans	-128.5	179.1	-166.9	-118.1	-161	170	177.1	0	111.6
332	P	39.5	Very low	33.8	Very low	108 Å²	108	145.2 Å²	145.2	70%	0.701	78%	0.779	S	S	*	*			trans	-98.1	176.2	-138.6	42.6	-38.8	0	0	0	115
333	T	31.2	Very low	33.5	Very low	132 Å²	132	143.9 Å²	143.9	81%	0.81	78%	0.776	S	S	*	*			trans	-163.6	159.8	140.2	-73.6	0	0	0	0	109.8
334	D	30.9	Very low	33.1	Very low	142 Å²	142	147.5 Å²	147.5	76%	0.759	78%	0.782	S	S	*	*			trans	-54	160.6	-179.5	-61.8	-96.7	0	0	0	117.6
335	I	32.4	Very low	32.7	Very low	145 Å²	145	148.7 Å²	148.7	74%	0.744	79%	0.785	S	S	*	*				172.7	114.8	105.7	-86.3	166.1	0	0	0	111.4
336	R	31.6	Very low	32.3	Very low	215 Å²	215	147.1 Å²	147.1	81%	0.811	78%	0.779	S	S	*	*			trans	58.8	165.1	151.1	-69.3	-179.4	177.8	-176.8	0.3	118
337	Q	34.9	Very low	32.2	Very low	136 Å²	136	149.4 Å²	149.4	64%	0.636	79%	0.785	S	S	*	*			cis	-155.8	147.2	-2.8	-131.2	164.4	-29.4	0	0	111
338	N	30.4	Very low	32.1	Very low	140 Å²	140	149.8 Å²	149.8	75%	0.749	79%	0.787	S	S	*	*			trans	64.4	156.8	162	-48.1	-31.1	0	0	0	116.3
339	V	35.2	Very low	31.7	Very low	132 Å²	132	153.1 Å²	153.1	80%	0.8	79%	0.787	S	S	*	*			cis	-126.7	144.2	5.1	174.4	0	0	0	0	109.7
340	S	28.9	Very low	31.6	Very low	114 Å²	114	147.3 Å²	147.3	80%	0.797	78%	0.78	S	S	*	*			trans	-95.5	134.1	179.5	-53.7	0	0	0	0	113.1
341	L	32.2	Very low	31.3	Very low	157 Å²	157	147 Å²	147	82%	0.822	77%	0.772	S	S	*	*			trans	-123.1	129	165.9	-76	172	0	0	0	110.4	I343	L341-I343 PolarHBondContact O-N 3.34Å
342	P	28.3	Very low	31.1	Very low	121 Å²	121	141.1 Å²	141.1	79%	0.786	76%	0.762	S	S	*	*			trans	-84.7	108.7	-176.9	32	-32.9	0	0	0	112	Q344	P342-Q344 PolarHBondContact O-N 2.9Å; P342-Q344 VanDerWaalsContact O-N 3.12Å
343	I	30.5	Very low	30.7	Very low	149 Å²	149	139.9 Å²	139.9	76%	0.764	76%	0.756	S	S	*	*			trans	-82.4	91.4	173.7	-56.6	-177.1	0	0	0	110.1	L341 K345	L341-I343 PolarHBondContact O-N 3.34Å; I343-K345 HydrophobicContact CG2-CG 4.22Å; I343-K345 PolarHBondContact O-N 3.15Å; I343-K345 VanDerWaalsContact O-N 3.09Å
344	Q	27.3	Very low	30.7	Very low	170 Å²	170	141 Å²	141	79%	0.794	76%	0.755	S	S	*	*			trans	-70.7	92.7	176.5	-173.4	177.1	11.8	0	0	111.4	P342 S346	P342-Q344 PolarHBondContact O-N 2.9Å; P342-Q344 VanDerWaalsContact O-N 3.12Å; Q344-S346 PolarHBondContact O-N 2.91Å; Q344-S346 VanDerWaalsContact O-N 3.17Å
345	K	30.6	Very low	30.7	Very low	196 Å²	196	138.1 Å²	138.1	85%	0.852	75%	0.751	S	S	*	*			trans	-84.6	80.3	176.6	-79.8	-172.6	174.7	177.6	0	112.7	I343	I343-K345 HydrophobicContact CG2-CG 4.22Å; I343-K345 PolarHBondContact O-N 3.15Å; I343-K345 VanDerWaalsContact O-N 3.09Å
346	S	27.8	Very low	30.7	Very low	82 Å²	82	136.1 Å²	136.1	57%	0.573	75%	0.748	S	S	*	*			trans	-110.8	97.3	171.6	55.2	0	0	0	0	111.7	Q344	Q344-S346 PolarHBondContact O-N 2.91Å; Q344-S346 VanDerWaalsContact O-N 3.17Å
347	H	32.3	Very low	30.8	Very low	184 Å²	184	134 Å²	134	85%	0.852	75%	0.751	S	S	*	*			trans	-141.9	76.7	173.5	-80.8	-56.7	0	0	0	112.9	K349	H347-K349 PolarHBondContact O-N 3.37Å
348	V	30	Very low	30.8	Very low	135 Å²	135	134.8 Å²	134.8	82%	0.818	76%	0.76	S	S	*	*			trans	-72.5	108.3	155	177	0	0	0	0	107.3	V350	V348-V350 PolarHBondContact O-N 3.04Å; V348-V350 VanDerWaalsContact O-N 3.11Å
349	K	31	Very low	31	Very low	183 Å²	183	133.9 Å²	133.9	80%	0.796	76%	0.76	S	S	*	*			trans	-75.8	96.3	172.7	-87.2	-171.7	172.6	-177.6	0	109.7	H347 V351	H347-K349 PolarHBondContact O-N 3.37Å; K349-V351 HydrophobicContact CB-CG2 4.47Å; K349-V351 PolarHBondContact O-N 3.18Å; K349-V351 VanDerWaalsContact O-N 3.09Å
350	V	29.9	Very low	31	Very low	129 Å²	129	133.9 Å²	133.9	78%	0.782	76%	0.762	S	S	*	*			trans	-66	103.3	162.9	179.4	0	0	0	0	108	V348 A352	V348-V350 PolarHBondContact O-N 3.04Å; V348-V350 VanDerWaalsContact O-N 3.11Å; V350-A352 PolarHBondContact O-N 2.99Å
351	V	30.8	Very low	31.2	Very low	113 Å²	113	136.5 Å²	136.5	69%	0.685	77%	0.767	S	S	*	*			trans	-87.8	90.2	176.5	-177.7	0	0	0	0	108.9	K349 S353	K349-V351 HydrophobicContact CB-CG2 4.47Å; K349-V351 PolarHBondContact O-N 3.18Å; K349-V351 VanDerWaalsContact O-N 3.09Å; V351-S353 PolarHBondContact O-N 3.33Å
352	A	27	Very low	31.4	Very low	80 Å²	80	135.6 Å²	135.6	66%	0.661	77%	0.768	S	S	*	*			trans	-81.4	104.5	166.9	0	0	0	0	0	109.4	V350 I354	V350-A352 PolarHBondContact O-N 2.99Å; A352-I354 PolarHBondContact O-N 3.45Å
353	S	31	Very low	31.6	Very low	83 Å²	83	132.8 Å²	132.8	58%	0.58	76%	0.762	S	S	*	*			trans	-81.9	94.7	173.1	-65	0	0	0	0	110.4	V351	V351-S353 PolarHBondContact O-N 3.33Å
354	I	31.9	Very low	31.8	Very low	154 Å²	154	132.6 Å²	132.6	79%	0.79	77%	0.767	S	S	*	*	P	Polyproline II helix	trans	-81.8	123.2	168.2	-60.9	173.1	0	0	0	108	A352	A352-I354 PolarHBondContact O-N 3.45Å
355	A	30.8	Very low	32.2	Very low	82 Å²	82	129.7 Å²	129.7	68%	0.678	77%	0.766	S	S	*	*	P	Polyproline II helix	trans	-85.4	134.3	165.9	0	0	0	0	0	109.3
356	P	32.6	Very low	32.4	Very low	104 Å²	104	128.8 Å²	128.8	68%	0.675	76%	0.764	S	S	*	*	P	Polyproline II helix	trans	-65.1	138.1	172.1	-19.8	32.7	0	0	0	111.5
357	L	33.8	Very low	32.7	Very low	170 Å²	170	129.8 Å²	129.8	89%	0.89	77%	0.769	S	S	*	*			trans	-102.7	94.2	159.4	-91.5	164.7	0	0	0	106.6	T359	L357-T359 PolarHBondContact O-N 2.95Å
358	D	33.8	Very low	32.8	Very low	152 Å²	152	126.6 Å²	126.6	81%	0.813	76%	0.763	S	S	*	*			trans	-74.8	115.6	179	-66.8	-43.9	0	0	0	110.4
359	T	36	Very low	33	Very low	122 Å²	122	127.8 Å²	127.8	75%	0.748	76%	0.759	S	S	*	*			trans	-119.2	136.3	162.3	47	0	0	0	0	108.5	L357 D361	L357-T359 PolarHBondContact O-N 2.95Å; T359-D361 PolarHBondContact O-N 3.19Å
360	P	35.3	Very low	33.1	Very low	131 Å²	131	127 Å²	127	85%	0.851	76%	0.755	S	S	*	*			trans	-80.5	111.6	-165.5	30.6	-34.9	0	0	0	112.6
361	D	33	Very low	33.2	Very low	169 Å²	169	128.6 Å²	128.6	90%	0.904	76%	0.757	S	S	*	*	P	Polyproline II helix	trans	-90.9	142.4	168.6	-112.6	-28.2	0	0	0	111.5	T359	T359-D361 PolarHBondContact O-N 3.19Å
362	V	36.2	Very low	33.5	Very low	138 Å²	138	128.2 Å²	128.2	84%	0.836	76%	0.757	S	S	*	*	P	Polyproline II helix	trans	-103.1	129.5	-178.9	178.5	0	0	0	0	109.6
363	G	33.1	Very low	33.7	Very low	63 Å²	63	132 Å²	132	65%	0.649	77%	0.766	S	S	*	*	P	Polyproline II helix	trans	-60.6	154.9	178.6	0	0	0	0	0	113.1
364	T	34	Very low	34	Very low	144 Å²	144	132.7 Å²	132.7	88%	0.883	77%	0.768	S	S	*	*				-167.2	167	62.5	31.4	0	0	0	0	111.6
365	S	35.5	Very low	34.1	Very low	110 Å²	110	134.9 Å²	134.9	77%	0.769	77%	0.772	S	S	*	*			cis	-159.6	174.4	3.7	38.4	0	0	0	0	112.8
366	H	33.7	Very low	34.3	Very low	177 Å²	177	135.1 Å²	135.1	82%	0.819	77%	0.774	S	S	*	*			trans	-52.2	173.2	159.6	-77.8	-63	0	0	0	116.3
367	P	35.3	Very low	34.4	Very low	102 Å²	102	136.1 Å²	136.1	66%	0.662	78%	0.778	S	S	*	*			cis	-138.2	-171.8	-9.3	24.9	0.4	0	0	0	116.7
368	T	33.6	Very low	34.5	Very low	118 Å²	118	134.2 Å²	134.2	72%	0.724	77%	0.769	S	S	*	*			trans	85.1	110.8	141.5	28	0	0	0	0	123.8
369	H	34.2	Very low	34.5	Very low	160 Å²	160	134.4 Å²	134.4	74%	0.741	76%	0.762	S	S	*	*				78.5	111.4	129.2	-95.1	-121.6	0	0	0	124.3
370	F	33	Very low	34.5	Very low	165 Å²	165	135.2 Å²	135.2	72%	0.724	76%	0.757	S	S	*	*			trans	65.3	95.2	132.7	-82.4	-109.7	0	0	0	122.6
371	M	32.6	Very low	34.6	Very low	163 Å²	163	135.5 Å²	135.5	80%	0.803	75%	0.748	S	S	*	*			trans	68.5	175.4	136.5	-46.1	-151.1	80.5	0	0	117.6
372	P	36.1	Very low	34.5	Very low	106 Å²	106	133.8 Å²	133.8	69%	0.688	74%	0.737	S	S	*	*				-133.3	164.1	-80.2	40.1	-25	0	0	0	116.3
373	N	32.7	Very low	34.4	Very low	160 Å²	160	134 Å²	134	86%	0.856	73%	0.733	S	S	*	*			trans	71.4	163.9	162.5	-107	-6.6	0	0	0	116.2
374	P	36.9	Very low	34.5	Very low	96 Å²	96	137.6 Å²	137.6	62%	0.623	74%	0.736	S	S	*	*				-132.6	164	-129.9	40.2	-23.5	0	0	0	115.8
375	K	34.3	Very low	34.6	Very low	200 Å²	200	136.8 Å²	136.8	87%	0.87	73%	0.734	S	S	*	*				175.2	147.5	127.9	-95.4	151.6	-170.3	173.6	0	113.7
376	A	35	Very low	34.6	Very low	87 Å²	87	136 Å²	136	72%	0.719	73%	0.728	S	S	*	*			trans	68.6	116.7	138.1	0	0	0	0	0	122.6
377	V	34.8	Very low	34.8	Very low	126 Å²	126	132.9 Å²	132.9	76%	0.764	73%	0.726	S	S	*	*				85.9	102.2	121.2	175.6	0	0	0	0	119.9
378	N	34.5	Very low	34.9	Very low	130 Å²	130	136 Å²	136	70%	0.695	74%	0.736	S	S	*	*			trans	64.3	116.4	133.4	-74.2	-23.8	0	0	0	123.4
379	K	34.8	Very low	34.9	Very low	156 Å²	156	134.5 Å²	134.5	68%	0.678	73%	0.731	S	S	*	*				85.3	133.7	115.4	-76.5	175.4	143	-142.2	0	121.8
380	Q	36.3	Very low	35.1	Very low	138 Å²	138	131.2 Å²	131.2	65%	0.645	73%	0.725	S	S	*	*			trans	74.7	145.3	140	-71.5	174.5	-97.9	0	0	116.4
381	Q	36.2	Very low	35.2	Very low	138 Å²	138	130.3 Å²	130.3	65%	0.645	73%	0.728	S	S	*	*			cis	-175.8	137.5	-6.6	153.2	174.4	-23.6	0	0	111.7
382	I	32.8	Very low	35.2	Very low	132 Å²	132	127.7 Å²	127.7	68%	0.677	72%	0.721	S	S	*	*			trans	68.2	148.6	159.2	-77.5	170.3	0	0	0	114.6
383	D	33	Very low	35	Very low	143 Å²	143	129 Å²	129	77%	0.765	73%	0.728	S	S	*	*			cis	-153	-177.2	48	-137.6	-33.3	0	0	0	116.8
384	I	34.4	Very low	35	Very low	138 Å²	138	125.8 Å²	125.8	71%	0.708	72%	0.718	S	S	*	*			trans	-132.7	132.7	-169	-66	161.7	0	0	0	110.7
385	P	37.5	Very low	34.7	Very low	128 Å²	128	127.5 Å²	127.5	83%	0.831	72%	0.721	S	S	*	*				-154.4	177.9	113.3	32.9	-12.2	0	0	0	115.7
386	S	35.8	Very low	34.6	Very low	93 Å²	93	125.5 Å²	125.5	65%	0.65	72%	0.715	S	S	*	*			cis	170.6	-177.7	-33.1	-83.6	0	0	0	0	108.1
387	S	37.4	Very low	34.4	Very low	112 Å²	112	129.9 Å²	129.9	78%	0.783	72%	0.721	S	S	*	*			trans	75.5	147.2	166.8	80.5	0	0	0	0	116.5
388	L	36.9	Very low	34.4	Very low	167 Å²	167	128.4 Å²	128.4	87%	0.874	71%	0.714	S	S	*	*			cis	-161.8	171.3	-6.2	-106.7	162.7	0	0	0	105.7
389	S	34.3	Very low	34.1	Very low	87 Å²	87	130.1 Å²	130.1	61%	0.608	72%	0.718	S	S	*	*			cis	-163	-175.6	0.7	53	0	0	0	0	110.5
390	S	37.3	Very low	33.8	Very low	90 Å²	90	128.9 Å²	128.9	63%	0.629	72%	0.718	S	S	*	*			trans	67.5	142.3	143.9	54.2	0	0	0	0	122.4
391	D	35.1	Very low	33.4	Very low	146 Å²	146	127.7 Å²	127.7	78%	0.781	72%	0.716	S	S	*	*			cis	-175.3	164.4	-15.8	-96.8	-25.5	0	0	0	109.9
392	V	33.4	Very low	33.1	Very low	108 Å²	108	128.9 Å²	128.9	66%	0.655	72%	0.722	S	S	*	*			cis	-165.2	131.5	-37.8	100.1	0	0	0	0	111.5
393	T	32.4	Very low	33.1	Very low	135 Å²	135	128 Å²	128	83%	0.828	73%	0.727	S	S	*	*			trans	61	-177	162.3	74.1	0	0	0	0	117.6
394	S	32.4	Very low	32.9	Very low	92 Å²	92	130.6 Å²	130.6	64%	0.643	73%	0.731	S	S	*	*			cis	-155.6	137.7	-2.5	126.6	0	0	0	0	113.2
395	N	29.7	Very low	32.8	Very low	131 Å²	131	129.6 Å²	129.6	70%	0.701	74%	0.737	S	S	*	*			trans	44.8	138.6	136.8	-65.8	-24.9	0	0	0	126.7
396	Q	33.7	Very low	32.3	Very low	159 Å²	159	127 Å²	127	74%	0.743	73%	0.727	S	S	*	*			trans	76.8	118.6	133	-71.7	164.2	29.3	0	0	123
397	Q	29.3	Very low	32.1	Very low	178 Å²	178	130 Å²	130	83%	0.832	73%	0.734	S	S	*	*				40.2	159.8	118.3	-87.2	-175.4	-76.6	0	0	122.2
398	P	34.6	Very low	31.9	Very low	96 Å²	96	130.3 Å²	130.3	62%	0.623	73%	0.731	S	S	*	*			cis	-134.8	-167.3	10.5	43.1	-24.1	0	0	0	115.4
399	E	29.7	Very low	31.8	Very low	166 Å²	166	126.9 Å²	126.9	78%	0.776	72%	0.721	S	S	*	*			trans	31.7	150.6	132	-74.4	-177.6	158.2	0	0	123
400	L	27.6	Very low	31.9	Very low	130 Å²	130	128 Å²	128	68%	0.681	73%	0.728	S	S	*	*			cis	-169.4	161.5	-7.4	-171.1	74.1	0	0	0	109.7
401	N	28.5	Very low	31.8	Very low	112 Å²	112	128.9 Å²	128.9	60%	0.599	73%	0.732	S	S	*	*			trans	60.9	119.3	151.7	-84.9	-14.2	0	0	0	124
402	Q	29.2	Very low	31.8	Very low	164 Å²	164	126.7 Å²	126.7	77%	0.766	73%	0.728	S	S	*	*				48.3	115.8	119.7	-57.3	178.8	52.8	0	0	122.5
403	S	32.7	Very low	31.7	Very low	114 Å²	114	127.8 Å²	127.8	80%	0.797	74%	0.735	S	S	*	*				-179.1	123.1	124.3	28.7	0	0	0	0	109.3
404	K	30	Very low	31.9	Very low	196 Å²	196	126.1 Å²	126.1	85%	0.852	73%	0.727	S	S	*	*				82.7	121.6	71.9	-98.1	-170.7	178.3	179.7	0	115.1
405	S	30.8	Very low	31.9	Very low	117 Å²	117	130 Å²	130	82%	0.818	73%	0.734	S	S	*	*			trans	64.4	155.2	151.5	46.5	0	0	0	0	120.8
406	A	28.6	Very low	31.8	Very low	75 Å²	75	129.8 Å²	129.8	62%	0.62	74%	0.738	S	S	*	*			cis	-177	173.5	-26.9	0	0	0	0	0	109.6
407	I	31.4	Very low	31.6	Very low	156 Å²	156	127.9 Å²	127.9	80%	0.8	74%	0.737	S	S	*	*			trans	74.2	141	162.4	-54.2	144.9	0	0	0	112.1
408	T	32.5	Very low	31.8	Very low	117 Å²	117	127.6 Å²	127.6	72%	0.718	73%	0.734	S	S	*	*			cis	-153.4	153.5	40.2	-30.3	0	0	0	0	113.2
409	S	35.3	Very low	31.5	Very low	95 Å²	95	129.6 Å²	129.6	66%	0.664	74%	0.739	S	S	*	*			trans	45.4	126.9	151.8	54.7	0	0	0	0	121.7
410	S	34.9	Very low	31.7	Very low	110 Å²	110	128.2 Å²	128.2	77%	0.769	74%	0.742	S	S	*	*			cis	73.6	147.8	27.1	90.3	0	0	0	0	116.3
411	P	36.8	Very low	32.1	Very low	109 Å²	109	127.1 Å²	127.1	71%	0.708	74%	0.742	S	S	*	*			cis	-139.4	-164.9	7.1	42.7	-22.9	0	0	0	115.9
412	S	33.5	Very low	32.3	Very low	100 Å²	100	127.2 Å²	127.2	70%	0.699	75%	0.747	S	S	*	*			trans	64.1	128.8	162.7	41.5	0	0	0	0	119.8
413	V	31.9	Very low	32.3	Very low	132 Å²	132	124.9 Å²	124.9	80%	0.8	74%	0.744	S	S	*	*			cis	78.2	129	12.8	-167.5	0	0	0	0	114.8
414	P	37.6	Very low	32.2	Very low	100 Å²	100	127 Å²	127	65%	0.649	75%	0.746	S	S	*	*			cis	-138.9	-144.7	-25.9	42.4	-22	0	0	0	113.1
415	E	31.3	Very low	32.2	Very low	173 Å²	173	128.5 Å²	128.5	81%	0.808	75%	0.746	S	S	*	*			trans	83.9	108.2	151.8	-87	163.5	-139.5	0	0	122.9
416	T	27	Very low	32.4	Very low	126 Å²	126	127.9 Å²	127.9	77%	0.773	74%	0.737	S	S	*	*			trans	-22.3	136.6	152.8	45.5	0	0	0	0	119.9
417	T	29.8	Very low	32.7	Very low	119 Å²	119	130.2 Å²	130.2	73%	0.73	75%	0.746	S	S	*	*				-160.4	160.6	128.2	-7.9	0	0	0	0	114.5
418	F	33.2	Very low	33.1	Very low	172 Å²	172	127.9 Å²	127.9	75%	0.754	74%	0.741	S	S	*	*			trans	61.7	114.9	159	-64	-59.8	0	0	0	123.5
419	N	29.9	Very low	33.3	Very low	139 Å²	139	128.1 Å²	128.1	74%	0.743	75%	0.747	S	S	*	*				29.6	130.2	120.9	-54.6	-5.7	0	0	0	121
420	V	33.3	Very low	33.1	Very low	137 Å²	137	131.4 Å²	131.4	83%	0.83	76%	0.757	S	S	*	*				167.1	142	119.4	152.3	0	0	0	0	110.5
421	P	35.2	Very low	33.1	Very low	106 Å²	106	131.1 Å²	131.1	69%	0.688	76%	0.762	S	S	*	*			trans	-100.5	176.6	173.5	37.7	-33.1	0	0	0	114.3
422	T	32.7	Very low	32.8	Very low	115 Å²	115	132 Å²	132	71%	0.706	77%	0.77	S	S	*	*			trans	103	114	153.2	-30.6	0	0	0	0	118.8
423	T	29.9	Very low	32.7	Very low	114 Å²	114	132.3 Å²	132.3	70%	0.699	78%	0.779	S	S	*	*			trans	57.6	133.8	148.7	57.7	0	0	0	0	125.1
424	L	30.6	Very low	32.6	Very low	158 Å²	158	130.6 Å²	130.6	83%	0.827	78%	0.779	S	S	*	*			trans	46.1	127	131.7	-62.3	162.9	0	0	0	121.6
425	R	30.2	Very low	32.4	Very low	229 Å²	229	135.3 Å²	135.3	86%	0.864	79%	0.792	S	S	*	*				177.7	140.8	105.7	-103	-171.4	160.5	163	-5.6	116.9
426	V	33.7	Very low	32.2	Very low	103 Å²	103	135.7 Å²	135.7	62%	0.624	79%	0.794	S	S	*	*				39.7	132.8	126.1	177.1	0	0	0	0	121.6
427	P	36.3	Very low	32.4	Very low	125 Å²	125	138.1 Å²	138.1	81%	0.812	80%	0.797	S	S	*	*			trans	-90.2	133.1	147.5	34.8	-28.1	0	0	0	111.8
428	P	38.6	Very low	32.3	Very low	107 Å²	107	138.7 Å²	138.7	70%	0.695	80%	0.8	S	S	*	*			trans	-99.2	161.6	-174.7	38.1	-35.7	0	0	0	114.4
429	S	37.3	Very low	32.1	Very low	121 Å²	121	137.2 Å²	137.2	85%	0.846	81%	0.805	S	S	*	*			trans	-161	98.3	158.2	61.2	0	0	0	0	111.4
430	D	31.6	Very low	32.3	Very low	164 Å²	164	136.1 Å²	136.1	88%	0.877	81%	0.808	S	S	*	*			trans	-89.4	136.1	170	-66.1	-66.3	0	0	0	111
431	A	34.5	Very low	32.2	Very low	104 Å²	104	136.5 Å²	136.5	86%	0.86	81%	0.806	S	S	*	*			trans	-161.3	114.3	158.5	0	0	0	0	0	110.6
432	S	30.3	Very low	32.4	Very low	127 Å²	127	135.5 Å²	135.5	89%	0.888	80%	0.799	S	S	*	*			trans	-96.2	128.5	175.2	57.4	0	0	0	0	111.6
433	A	32.6	Very low	32.6	Very low	107 Å²	107	138.4 Å²	138.4	88%	0.884	80%	0.802	S	S	*	*			trans	-148.5	137.3	158.9	0	0	0	0	0	109.3
434	A	29	Very low	32.8	Very low	97 Å²	97	139.5 Å²	139.5	80%	0.802	80%	0.804	S	S	*	*			trans	-110.2	146.3	176.5	0	0	0	0	0	110.2
435	Q	33.7	Very low	33.1	Very low	198 Å²	198	136.5 Å²	136.5	93%	0.925	79%	0.794	S	S	*	*			trans	-154.2	154.9	152.7	-111.7	158.4	14.4	0	0	109.6
436	Q	27.4	Very low	33.1	Very low	181 Å²	181	132.9 Å²	132.9	85%	0.846	79%	0.79	S	S	*	*			trans	-110	-167	-172.7	-64.7	168.6	-98.2	0	0	109.8
437	E	30.3	Very low	33	Very low	178 Å²	178	133.9 Å²	133.9	83%	0.832	80%	0.798	S	S	*	*			trans	78	143	162.9	-49.8	-169	156.6	0	0	116.8
438	T	28.7	Very low	32.5	Very low	131 Å²	131	134.6 Å²	134.6	80%	0.804	80%	0.801	S	S	*	*			cis	-153	167.7	-20.5	15.7	0	0	0	0	111.3
439	V	27.6	Very low	32.3	Very low	140 Å²	140	134.9 Å²	134.9	85%	0.848	81%	0.805	S	S	*	*			trans	-61.1	137	177.3	175.3	0	0	0	0	114.6
440	S	34.3	Very low	32.1	Very low	116 Å²	116	133.9 Å²	133.9	81%	0.811	80%	0.798	S	S	*	*			trans	-164.8	117.4	139.8	60.7	0	0	0	0	113.7
441	D	32.2	Very low	31.9	Very low	146 Å²	146	133.6 Å²	133.6	78%	0.781	80%	0.797	S	S	*	*			trans	-88.2	-164.5	162.4	-149.4	24	0	0	0	108.1
442	P	39.2	Very low	31.9	Very low	84 Å²	84	133.6 Å²	133.6	55%	0.545	79%	0.791	S	S	.	*			cis	-149.5	-179.5	15.6	35.3	-8.6	0	0	0	120.3
443	F	36.8	Very low	32.1	Very low	177 Å²	177	136.2 Å²	136.2	78%	0.776	80%	0.795	S	S	*	*			trans	74.1	149.8	158.5	-60.3	-52.8	0	0	0	118.9
444	N	34.8	Very low	32.1	Very low	136 Å²	136	133.9 Å²	133.9	73%	0.727	78%	0.781	S	S	*	*			cis	-149.2	172.2	7	-121	-11.4	0	0	0	111.4
445	P	36	Very low	32.9	Very low	96 Å²	96	134.7 Å²	134.7	62%	0.623	78%	0.776	S	S	*	*				-141.9	-161.3	-129.1	37.7	-12.7	0	0	0	117.3
446	I	30.6	Very low	34.3	Very low	152 Å²	152	129.3 Å²	129.3	78%	0.779	75%	0.753	S	S	*	*			trans	81.2	144.6	159.6	-64.4	162.6	0	0	0	116.7
447	P	30.4	Very low	36.1	Very low	124 Å²	124	127.4 Å²	127.4	81%	0.805	75%	0.748	S	S	*	*			cis	-117.7	173	-2.9	22.2	0.2	0	0	0	115.9
448	T	27.2	Very low	37.5	Very low	141 Å²	141	124.5 Å²	124.5	87%	0.865	73%	0.734	S	S	*	*			trans	-105.5	154.6	-178.9	52	0	0	0	0	114.6
449	S	33.5	Very low	38.7	Very low	112 Å²	112	124.7 Å²	124.7	78%	0.783	72%	0.721	S	S	*	*			trans	-152.4	104.9	153.7	63.4	0	0	0	0	114.8
450	S	32.8	Very low	40.3	Very low	100 Å²	100	121 Å²	121	70%	0.699	70%	0.695	S	S	*	*			trans	28.4	125.9	143.9	59.3	0	0	0	0	122.8
451	N	28.4	Very low	41.9	Very low	158 Å²	158	118 Å²	118	85%	0.845	68%	0.678	S	S	*	*				37.4	140.6	113	-56	-8.2	0	0	0	119.9
452	S	35.2	Very low	43.5	Very low	105 Å²	105	114.5 Å²	114.5	73%	0.734	66%	0.659	S	S	*	*			cis	-158.9	147.6	6.7	45.7	0	0	0	0	112.5	G454	S452-G454 PolarHBondContact O-N 3.01Å; S452-G454 VanDerWaalsContact O-N 3.08Å
453	N	33.6	Very low	44.6	Very low	182 Å²	182	113.7 Å²	113.7	97%	0.973	65%	0.649	S	S	*	*			trans	-84.4	51.1	172	-79	-21	0	0	0	112.3
454	G	33.4	Very low	45.9	Very low	58 Å²	58	112.3 Å²	112.3	60%	0.598	64%	0.639	S	S	*	*			trans	-85.3	128.2	174.5	0	0	0	0	0	111.7	S452 D456	S452-G454 PolarHBondContact O-N 3.01Å; S452-G454 VanDerWaalsContact O-N 3.08Å; G454-D456 PolarHBondContact O-N 3.37Å; G454-D456 VanDerWaalsContact O-N 3.16Å
455	V	44.1	Very low	47.3	Very low	114 Å²	114	112.3 Å²	112.3	69%	0.691	63%	0.634	S	S	*	*			trans	-72	108	169.2	176.2	0	0	0	0	108.5	L457 L460	V455-L457 PolarHBondContact O-N 3.29Å; V455-L460 HydrophobicContact CG1-CD1 3.69Å
456	D	63.7	Low	48.4	Very low	85 Å²	85	109.2 Å²	109.2	46%	0.455	62%	0.617	S	S	.	*			trans	-62.3	105.2	179.9	-179.7	-10.2	0	0	0	111.5	G454 E458 R459 L460	G454-D456 PolarHBondContact O-N 3.37Å; G454-D456 VanDerWaalsContact O-N 3.16Å; D456-E458 VanDerWaalsContact C-N 3.32Å; D456-E458 PolarHBondContact O-N 3.02Å; D456-E458 WeakPolarHBondContact OD1-CA 3.49Å; D456-E458 WeakPolarHBondContact OD1-CB 3.48Å; D456-E458 PolarHBondContact OD1-N 3.44Å; D456-R459 HydrophobicContact CB-CB 3.85Å; D456-R459 VanDerWaalsContact CG-CB 3.41Å; D456-R459 PolarHBondContact OD1-N 3.34Å; D456-R459 WeakPolarHBondContact OD2-CB 3.14Å; D456-L460 PolarHBondContact O-N 2.9Å
457	L	65.7	Low	49.6	Very low	140 Å²	140	107.7 Å²	107.7	73%	0.733	61%	0.61	S	S	*	*	H	α-helix	trans	-67.3	-29.3	179.7	-75	162.6	0	0	0	112.8	V455 L460 A461	V455-L457 PolarHBondContact O-N 3.29Å; L457-L460 PolarHBondContact O-N 3.24Å; L457-A461 WeakPolarHBondContact O-CB 3.47Å; L457-A461 PolarHBondContact O-N 3.16Å
458	E	59.5	Low	50.8	Low	117 Å²	117	109.4 Å²	109.4	55%	0.547	61%	0.607	S	S	.	*	H	α-helix	trans	-73	-44.7	178	-172.8	171.7	-127.7	0	0	109.9	D456 L460 A461 L462 N491	D456-E458 VanDerWaalsContact C-N 3.32Å; D456-E458 PolarHBondContact O-N 3.02Å; D456-E458 WeakPolarHBondContact OD1-CA 3.49Å; D456-E458 WeakPolarHBondContact OD1-CB 3.48Å; D456-E458 PolarHBondContact OD1-N 3.44Å; E458-L460 VanDerWaalsContact C-N 3.29Å; E458-L460 PolarHBondContact O-N 3.43Å; E458-A461 WeakPolarHBondContact O-CB 3.47Å; E458-A461 PolarHBondContact O-N 3.2Å; E458-A461 VanDerWaalsContact O-N 3.15Å; E458-L462 WeakPolarHBondContact O-CG 3.1Å; E458-L462 PolarHBondContact O-N 3.12Å; E458-N491 PolarHBondContact OE2-ND2 2.85Å
459	R	54.8	Low	51.9	Low	136 Å²	136	104.3 Å²	104.3	51%	0.513	58%	0.578	S	S	.	*	H	α-helix	trans	-58.8	-38.9	171.3	-169.7	175.6	-171.6	-176.3	3.8	112.4	D456 I463 L484	D456-R459 HydrophobicContact CB-CB 3.85Å; D456-R459 VanDerWaalsContact CG-CB 3.41Å; D456-R459 PolarHBondContact OD1-N 3.34Å; D456-R459 WeakPolarHBondContact OD2-CB 3.14Å; R459-I463 HydrophobicContact CG-CD1 4.36Å; R459-I463 WeakPolarHBondContact O-CD1 3.5Å; R459-I463 VanDerWaalsContact O-CG1 3.28Å; R459-I463 WeakPolarHBondContact O-CG1 3.28Å; R459-I463 PolarHBondContact O-N 2.95Å; R459-I463 VanDerWaalsContact O-N 3.14Å; R459-L484 HydrophobicContact CG-CD2 3.95Å
460	L	60	Low	52.3	Low	61 Å²	61	104.7 Å²	104.7	32%	0.319	58%	0.577	S	S	.	*	H	α-helix	trans	-71.9	-32.9	176.4	-126.9	161.8	0	0	0	112.7	V455 D456 L457 E458 R464	V455-L460 HydrophobicContact CG1-CD1 3.69Å; D456-L460 PolarHBondContact O-N 2.9Å; L457-L460 PolarHBondContact O-N 3.24Å; E458-L460 VanDerWaalsContact C-N 3.29Å; E458-L460 PolarHBondContact O-N 3.43Å; L460-R464 WeakPolarHBondContact O-CG 3.47Å; L460-R464 PolarHBondContact O-N 2.85Å; L460-R464 VanDerWaalsContact O-N 3.12Å
461	A	68.7	Low	53	Low	53 Å²	53	103.9 Å²	103.9	44%	0.438	57%	0.565	S	S	.	*	H	α-helix	trans	-67.5	-46	172.9	0	0	0	0	0	111.8	L457 E458 I463 R464 Q465	L457-A461 WeakPolarHBondContact O-CB 3.47Å; L457-A461 PolarHBondContact O-N 3.16Å; E458-A461 WeakPolarHBondContact O-CB 3.47Å; E458-A461 PolarHBondContact O-N 3.2Å; E458-A461 VanDerWaalsContact O-N 3.15Å; A461-I463 VanDerWaalsContact C-N 3.35Å; A461-I463 PolarHBondContact O-N 3.14Å; A461-R464 PolarHBondContact O-N 3.09Å; A461-Q465 WeakPolarHBondContact O-CB 3.34Å; A461-Q465 PolarHBondContact O-N 3.38Å
462	L	64.9	Low	54.3	Low	74 Å²	74	98.6 Å²	98.6	39%	0.387	54%	0.541	S	S	.	.	H	α-helix	trans	-60.2	-42	176.6	-71.3	169	0	0	0	112.2	E458 Q465 A466 A487	E458-L462 WeakPolarHBondContact O-CG 3.1Å; E458-L462 PolarHBondContact O-N 3.12Å; L462-Q465 PolarHBondContact O-N 3.47Å; L462-A466 WeakPolarHBondContact O-CB 3.29Å; L462-A466 PolarHBondContact O-N 2.77Å; L462-A487 HydrophobicContact CD1-CB 4.49Å
463	I	62.4	Low	55.1	Low	66 Å²	66	100.4 Å²	100.4	34%	0.338	53%	0.531	S	S	.	.	H	α-helix	trans	-63.6	-42.9	175.3	-70.1	166.3	0	0	0	111.1	R459 A461 A466 L467	R459-I463 HydrophobicContact CG-CD1 4.36Å; R459-I463 WeakPolarHBondContact O-CD1 3.5Å; R459-I463 VanDerWaalsContact O-CG1 3.28Å; R459-I463 WeakPolarHBondContact O-CG1 3.28Å; R459-I463 PolarHBondContact O-N 2.95Å; R459-I463 VanDerWaalsContact O-N 3.14Å; A461-I463 VanDerWaalsContact C-N 3.35Å; A461-I463 PolarHBondContact O-N 3.14Å; I463-A466 PolarHBondContact O-N 3.18Å; I463-L467 HydrophobicContact CG2-CD1 3.88Å; I463-L467 WeakPolarHBondContact O-CB 3.25Å; I463-L467 VanDerWaalsContact O-CG 3.29Å; I463-L467 WeakPolarHBondContact O-CG 3.21Å; I463-L467 PolarHBondContact O-N 3.11Å
464	R	63.5	Low	56	Low	148 Å²	148	94.7 Å²	94.7	56%	0.558	50%	0.499	S	S	*	.	H	α-helix	trans	-61.5	-43.7	174.3	-77.9	177	173.8	136.8	-1.8	112	L460 A461 L467 Q468	L460-R464 WeakPolarHBondContact O-CG 3.47Å; L460-R464 PolarHBondContact O-N 2.85Å; L460-R464 VanDerWaalsContact O-N 3.12Å; A461-R464 PolarHBondContact O-N 3.09Å; R464-L467 PolarHBondContact O-N 2.95Å; R464-Q468 WeakPolarHBondContact O-CB 3.35Å; R464-Q468 VanDerWaalsContact O-CG 3.29Å; R464-Q468 WeakPolarHBondContact O-CG 3.44Å; R464-Q468 PolarHBondContact O-N 3.4Å
465	Q	65.9	Low	56.9	Low	136 Å²	136	95.8 Å²	95.8	64%	0.636	49%	0.487	S	S	*	.	H	α-helix	trans	-63.6	-41.6	179.2	-169.7	179.1	12.8	0	0	112.1	A461 L462 S469	A461-Q465 WeakPolarHBondContact O-CB 3.34Å; A461-Q465 PolarHBondContact O-N 3.38Å; L462-Q465 PolarHBondContact O-N 3.47Å; Q465-S469 PolarHBondContact O-N 2.86Å
466	A	58.8	Low	57.7	Low	32 Å²	32	93.7 Å²	93.7	26%	0.264	48%	0.475	S	S	.	.	H	α-helix	trans	-62.9	-46.5	175.3	0	0	0	0	0	111.9	L462 I463 S469 S472	L462-A466 WeakPolarHBondContact O-CB 3.29Å; L462-A466 PolarHBondContact O-N 2.77Å; I463-A466 PolarHBondContact O-N 3.18Å; A466-S469 WeakPolarHBondContact O-CB 3.41Å; A466-S469 PolarHBondContact O-N 2.64Å; A466-S469 PolarHBondContact O-OG 3.27Å; A466-S472 WeakPolarHBondContact O-CB 3.35Å
467	L	54.5	Low	57.2	Low	119 Å²	119	98.2 Å²	98.2	62%	0.623	49%	0.491	S	S	*	.	H	α-helix	trans	-66.3	-35.1	179.6	-71	170.8	0	0	0	113.3	I463 R464 S469 S472	I463-L467 HydrophobicContact CG2-CD1 3.88Å; I463-L467 WeakPolarHBondContact O-CB 3.25Å; I463-L467 VanDerWaalsContact O-CG 3.29Å; I463-L467 WeakPolarHBondContact O-CG 3.21Å; I463-L467 PolarHBondContact O-N 3.11Å; R464-L467 PolarHBondContact O-N 2.95Å; L467-S469 VanDerWaalsContact C-N 3.26Å; L467-S469 PolarHBondContact O-N 2.92Å; L467-S472 WeakPolarHBondContact O-CB 3.38Å; L467-S472 PolarHBondContact O-OG 3.21Å
468	Q	55.4	Low	57.3	Low	160 Å²	160	97 Å²	97	75%	0.748	49%	0.485	S	S	*	.	H	α-helix	trans	-74.7	-10.5	176.7	-74.3	176.6	-8.8	0	0	113.8	R464	R464-Q468 WeakPolarHBondContact O-CB 3.35Å; R464-Q468 VanDerWaalsContact O-CG 3.29Å; R464-Q468 WeakPolarHBondContact O-CG 3.44Å; R464-Q468 PolarHBondContact O-N 3.4Å
469	S	50.9	Low	57.4	Low	35 Å²	35	93.3 Å²	93.3	25%	0.245	47%	0.468	C	S	.	.	S	Bend	trans	-68.7	140.4	177.7	74.8	0	0	0	0	111.6	Q465 A466 L467 N471 S472	Q465-S469 PolarHBondContact O-N 2.86Å; A466-S469 WeakPolarHBondContact O-CB 3.41Å; A466-S469 PolarHBondContact O-N 2.64Å; A466-S469 PolarHBondContact O-OG 3.27Å; L467-S469 VanDerWaalsContact C-N 3.26Å; L467-S469 PolarHBondContact O-N 2.92Å; S469-N471 PolarHBondContact O-N 2.96Å; S469-S472 WeakPolarHBondContact O-CB 3.46Å; S469-S472 PolarHBondContact O-N 2.59Å; S469-S472 PolarHBondContact O-OG 3.12Å; S469-S472 PolarHBondContact OG-N 3.14Å
470	P	42.4	Very low	57.6	Low	119 Å²	119	89.3 Å²	89.3	77%	0.773	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-8.2	174.9	-25.8	35.3	0	0	0	115.1	W473	P470-W473 PolarHBondContact O-NE1 3.4Å
471	N	48.2	Very low	58	Low	83 Å²	83	89.2 Å²	89.2	44%	0.444	46%	0.458	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.1	13	-179.3	-67.8	-49	0	0	0	112.9	S469 W473 Q474	S469-N471 PolarHBondContact O-N 2.96Å; N471-W473 PolarHBondContact O-N 2.69Å; N471-Q474 HydrophobicContact CB-CG 4.24Å; N471-Q474 WeakPolarHBondContact O-CB 3.41Å; N471-Q474 WeakPolarHBondContact O-CG 3.36Å; N471-Q474 PolarHBondContact O-N 2.87Å; N471-Q474 PolarHBondContact OD1-NE2 3.12Å
472	S	53.9	Low	58.1	Low	48 Å²	48	92.5 Å²	92.5	34%	0.336	46%	0.464	S	S	.	.	G	3₁₀ helix	trans	-56.8	-25.2	-176.3	58	0	0	0	0	114.5	A466 L467 S469 Q474	A466-S472 WeakPolarHBondContact O-CB 3.35Å; L467-S472 WeakPolarHBondContact O-CB 3.38Å; L467-S472 PolarHBondContact O-OG 3.21Å; S469-S472 WeakPolarHBondContact O-CB 3.46Å; S469-S472 PolarHBondContact O-N 2.59Å; S469-S472 PolarHBondContact O-OG 3.12Å; S469-S472 PolarHBondContact OG-N 3.14Å; S472-Q474 PolarHBondContact O-N 3.48Å
473	W	53.1	Low	58	Low	143 Å²	143	93.8 Å²	93.8	54%	0.542	47%	0.47	S	S	.	.	G	3₁₀ helix	trans	-70.7	-2.5	171.7	64.7	-86.6	0	0	0	115.1	P470 N471	P470-W473 PolarHBondContact O-NE1 3.4Å; N471-W473 PolarHBondContact O-N 2.69Å
474	Q	52.1	Low	58	Low	62 Å²	62	92.4 Å²	92.4	29%	0.29	46%	0.463	S	S	.	.	G	3₁₀ helix	trans	-101.2	-1.7	-176	-62.1	-159	47	0	0	115.1	R307 N471 S472	R307-Q474 PolarHBondContact NH1-O 2.88Å; R307-Q474 VanDerWaalsContact NH1-O 3.11Å; R307-Q474 PolarHBondContact NH2-O 3.44Å; N471-Q474 HydrophobicContact CB-CG 4.24Å; N471-Q474 WeakPolarHBondContact O-CB 3.41Å; N471-Q474 WeakPolarHBondContact O-CG 3.36Å; N471-Q474 PolarHBondContact O-N 2.87Å; N471-Q474 PolarHBondContact OD1-NE2 3.12Å; S472-Q474 PolarHBondContact O-N 3.48Å
475	F	53.6	Low	58.5	Low	81 Å²	81	91.5 Å²	91.5	36%	0.355	46%	0.463	S	S	.	.			trans	-97.5	132.8	179.1	-60.3	-80.4	0	0	0	111.1	E479 V480 M483	F475-E479 VanDerWaalsContact CA-OE2 3.31Å; F475-E479 WeakPolarHBondContact CA-OE2 3.38Å; F475-V480 HydrophobicContact CB-CG2 3.83Å; F475-V480 HydrophobicContact CG-CG2 4.43Å; F475-M483 HydrophobicContact CD1-SD 4.15Å; F475-M483 HydrophobicContact CE1-SD 3.84Å
476	T	59.6	Low	58.6	Low	70 Å²	70	90.3 Å²	90.3	43%	0.429	46%	0.457	S	S	.	.			trans	-77.6	163.2	163.5	73.4	0	0	0	0	110.8	D478 E479 V480	T476-D478 PolarHBondContact O-N 2.86Å; T476-D478 PolarHBondContact OG1-N 2.93Å; T476-E479 PolarHBondContact N-OE2 3.03Å; T476-E479 PolarHBondContact O-N 3.06Å; T476-E479 WeakPolarHBondContact OG1-CG 3.45Å; T476-E479 PolarHBondContact OG1-N 2.83Å; T476-V480 WeakPolarHBondContact O-CG2 3.32Å; T476-V480 PolarHBondContact O-N 2.89Å; T476-V480 VanDerWaalsContact O-N 3.12Å
477	F	53.7	Low	58.6	Low	180 Å²	180	90.3 Å²	90.3	79%	0.789	46%	0.457	S	S	*	.	H	α-helix	trans	-61.1	-35.5	175.4	-160	-88.3	0	0	0	111.3	V480 D481	F477-V480 PolarHBondContact O-N 2.9Å; F477-D481 WeakPolarHBondContact O-CB 3.33Å; F477-D481 PolarHBondContact O-N 2.89Å
478	D	67	Low	58.9	Low	114 Å²	114	87.3 Å²	87.3	61%	0.61	45%	0.45	S	S	*	.	H	α-helix	trans	-72.5	-36.2	178.2	-44.5	-73.6	0	0	0	112.4	T476 D481 Q482	T476-D478 PolarHBondContact O-N 2.86Å; T476-D478 PolarHBondContact OG1-N 2.93Å; D478-D481 PolarHBondContact O-N 2.79Å; D478-Q482 WeakPolarHBondContact O-CB 3.26Å; D478-Q482 WeakPolarHBondContact O-CG 3.35Å; D478-Q482 PolarHBondContact O-N 2.68Å
479	E	62.2	Low	59.3	Low	39 Å²	39	82.5 Å²	82.5	18%	0.182	44%	0.437	C	S	.	.	H	α-helix	trans	-62.4	-41.7	171.6	-76.8	175	147.8	0	0	110.9	R307 F475 T476 M483	R307-E479 IonicContact CZ-OE1 2.77Å; R307-E479 VanDerWaalsContact NH2-CD 3.3Å; R307-E479 IonicContact NH2-OE1 3.8Å; R307-E479 PolarHBondContact NH2-OE1 3.04Å; R307-E479 IonicContact NH2-OE2 3.69Å; R307-E479 PolarHBondContact NH2-OE2 3.08Å; R307-E479 VanDerWaalsContact NH2-OE2 3.11Å; F475-E479 VanDerWaalsContact CA-OE2 3.31Å; F475-E479 WeakPolarHBondContact CA-OE2 3.38Å; T476-E479 PolarHBondContact N-OE2 3.03Å; T476-E479 PolarHBondContact O-N 3.06Å; T476-E479 WeakPolarHBondContact OG1-CG 3.45Å; T476-E479 PolarHBondContact OG1-N 2.83Å; E479-M483 VanDerWaalsContact O-CG 3.31Å; E479-M483 WeakPolarHBondContact O-CG 3.28Å; E479-M483 PolarHBondContact O-N 2.83Å
480	V	59.4	Low	59.6	Low	53 Å²	53	87 Å²	87	32%	0.321	45%	0.453	S	S	.	.	H	α-helix	trans	-66.7	-41.7	175.9	177.8	0	0	0	0	111.7	F475 T476 F477 M483 L484	F475-V480 HydrophobicContact CB-CG2 3.83Å; F475-V480 HydrophobicContact CG-CG2 4.43Å; T476-V480 WeakPolarHBondContact O-CG2 3.32Å; T476-V480 PolarHBondContact O-N 2.89Å; T476-V480 VanDerWaalsContact O-N 3.12Å; F477-V480 PolarHBondContact O-N 2.9Å; V480-M483 PolarHBondContact O-N 2.93Å; V480-L484 HydrophobicContact CG1-CD1 4.12Å; V480-L484 WeakPolarHBondContact O-CG 3.18Å; V480-L484 PolarHBondContact O-N 2.98Å
481	D	67.7	Low	60.1	Low	59 Å²	59	85.2 Å²	85.2	32%	0.316	44%	0.436	S	S	.	.	H	α-helix	trans	-68	-37.4	177.7	-174	59.6	0	0	0	112.2	F477 D478 L484 K485	F477-D481 WeakPolarHBondContact O-CB 3.33Å; F477-D481 PolarHBondContact O-N 2.89Å; D478-D481 PolarHBondContact O-N 2.79Å; D481-L484 PolarHBondContact O-N 2.77Å; D481-K485 WeakPolarHBondContact O-CB 3.34Å; D481-K485 VanDerWaalsContact O-CG 3.29Å; D481-K485 WeakPolarHBondContact O-CG 3.46Å; D481-K485 PolarHBondContact O-N 2.77Å; D481-K485 WeakPolarHBondContact OD2-CE 3.42Å; D481-K485 IonicContact OD2-NZ 3.57Å; D481-K485 PolarHBondContact OD2-NZ 2.85Å
482	Q	70.8	Confident	60.1	Low	121 Å²	121	84.9 Å²	84.9	57%	0.565	44%	0.441	S	S	*	.	H	α-helix	trans	-62.2	-44	169.1	-78.2	-169.4	0.7	0	0	112.2	D478 L484 K485 Q486	D478-Q482 WeakPolarHBondContact O-CB 3.26Å; D478-Q482 WeakPolarHBondContact O-CG 3.35Å; D478-Q482 PolarHBondContact O-N 2.68Å; Q482-L484 VanDerWaalsContact C-N 3.33Å; Q482-L484 PolarHBondContact O-N 2.96Å; Q482-K485 PolarHBondContact O-N 2.89Å; Q482-Q486 WeakPolarHBondContact O-CG 3.48Å; Q482-Q486 PolarHBondContact O-N 2.85Å
483	M	62.2	Low	59.8	Low	101 Å²	101	85.2 Å²	85.2	50%	0.498	45%	0.447	S	S	.	.	H	α-helix	trans	-61.1	-41.5	176	-75.4	177.3	64.1	0	0	112	F475 E479 V480 Q486 A487	F475-M483 HydrophobicContact CD1-SD 4.15Å; F475-M483 HydrophobicContact CE1-SD 3.84Å; E479-M483 VanDerWaalsContact O-CG 3.31Å; E479-M483 WeakPolarHBondContact O-CG 3.28Å; E479-M483 PolarHBondContact O-N 2.83Å; V480-M483 PolarHBondContact O-N 2.93Å; M483-Q486 PolarHBondContact O-N 3.47Å; M483-A487 WeakPolarHBondContact O-CB 3.35Å; M483-A487 PolarHBondContact O-N 2.93Å
484	L	63.1	Low	59.4	Low	38 Å²	38	85.9 Å²	85.9	20%	0.199	45%	0.453	C	S	.	.	H	α-helix	trans	-64.2	-42.5	174.8	-74.6	167.3	0	0	0	112.1	R459 V480 D481 Q482 A487 A488	R459-L484 HydrophobicContact CG-CD2 3.95Å; V480-L484 HydrophobicContact CG1-CD1 4.12Å; V480-L484 WeakPolarHBondContact O-CG 3.18Å; V480-L484 PolarHBondContact O-N 2.98Å; D481-L484 PolarHBondContact O-N 2.77Å; Q482-L484 VanDerWaalsContact C-N 3.33Å; Q482-L484 PolarHBondContact O-N 2.96Å; L484-A487 PolarHBondContact O-N 3.35Å; L484-A488 PolarHBondContact O-N 2.93Å
485	K	73.6	Confident	58.7	Low	128 Å²	128	88.4 Å²	88.4	56%	0.557	47%	0.473	S	S	*	.	H	α-helix	trans	-63.2	-42.2	174.8	-75.8	164.4	173.6	167.2	0	112.2	D481 Q482 A488 A489	D481-K485 WeakPolarHBondContact O-CB 3.34Å; D481-K485 VanDerWaalsContact O-CG 3.29Å; D481-K485 WeakPolarHBondContact O-CG 3.46Å; D481-K485 PolarHBondContact O-N 2.77Å; D481-K485 WeakPolarHBondContact OD2-CE 3.42Å; D481-K485 IonicContact OD2-NZ 3.57Å; D481-K485 PolarHBondContact OD2-NZ 2.85Å; Q482-K485 PolarHBondContact O-N 2.89Å; K485-A488 PolarHBondContact O-N 2.99Å; K485-A489 WeakPolarHBondContact O-CB 3.3Å; K485-A489 PolarHBondContact O-N 3.2Å
486	Q	67.6	Low	57.9	Low	111 Å²	111	90.1 Å²	90.1	52%	0.519	49%	0.49	S	S	.	.	H	α-helix	trans	-67.1	-35.3	175.6	-72.6	-173.8	16.9	0	0	112.9	Q482 M483 K490	Q482-Q486 WeakPolarHBondContact O-CG 3.48Å; Q482-Q486 PolarHBondContact O-N 2.85Å; M483-Q486 PolarHBondContact O-N 3.47Å; Q486-K490 WeakPolarHBondContact O-CB 3.45Å; Q486-K490 VanDerWaalsContact O-CG 3.3Å; Q486-K490 WeakPolarHBondContact O-CG 3.18Å; Q486-K490 PolarHBondContact O-N 3.19Å
487	A	60.2	Low	56.8	Low	32 Å²	32	93.3 Å²	93.3	26%	0.264	50%	0.504	S	S	.	.	H	α-helix	trans	-65.3	-48.9	174	0	0	0	0	0	111.2	L462 M483 L484 A489 K490 N491	L462-A487 HydrophobicContact CD1-CB 4.49Å; M483-A487 WeakPolarHBondContact O-CB 3.35Å; M483-A487 PolarHBondContact O-N 2.93Å; L484-A487 PolarHBondContact O-N 3.35Å; A487-A489 PolarHBondContact O-N 2.95Å; A487-K490 PolarHBondContact O-N 2.74Å; A487-N491 PolarHBondContact O-N 2.97Å
488	A	61.2	Low	55.8	Low	57 Å²	57	92.7 Å²	92.7	47%	0.471	50%	0.504	S	S	.	.	H	α-helix	trans	-57.2	-47.7	175	0	0	0	0	0	111.8	L484 K485 K490 N491 S492	L484-A488 PolarHBondContact O-N 2.93Å; K485-A488 PolarHBondContact O-N 2.99Å; A488-K490 VanDerWaalsContact C-N 3.33Å; A488-K490 PolarHBondContact O-N 3.3Å; A488-N491 PolarHBondContact O-N 2.87Å; A488-S492 PolarHBondContact O-N 3.1Å; A488-S492 PolarHBondContact O-OG 2.86Å; A488-S492 VanDerWaalsContact O-OG 3.12Å
489	A	63.3	Low	54	Low	58 Å²	58	94.7 Å²	94.7	48%	0.479	51%	0.514	S	S	.	.	H	α-helix	trans	-61.2	-37.2	177.7	0	0	0	0	0	113.2	K485 A487 S492 A493	K485-A489 WeakPolarHBondContact O-CB 3.3Å; K485-A489 PolarHBondContact O-N 3.2Å; A487-A489 PolarHBondContact O-N 2.95Å; A489-S492 PolarHBondContact O-N 2.99Å; A489-A493 VanDerWaalsContact O-CB 3.29Å; A489-A493 WeakPolarHBondContact O-CB 3.29Å; A489-A493 PolarHBondContact O-N 2.98Å
490	K	57.4	Low	52.5	Low	131 Å²	131	100.3 Å²	100.3	57%	0.57	55%	0.551	S	S	*	*	H	α-helix	trans	-69.4	-34.5	176.4	-78.7	171.3	-179.3	170.1	0	113	Q486 A487 A488 K494	Q486-K490 WeakPolarHBondContact O-CB 3.45Å; Q486-K490 VanDerWaalsContact O-CG 3.3Å; Q486-K490 WeakPolarHBondContact O-CG 3.18Å; Q486-K490 PolarHBondContact O-N 3.19Å; A487-K490 PolarHBondContact O-N 2.74Å; A488-K490 VanDerWaalsContact C-N 3.33Å; A488-K490 PolarHBondContact O-N 3.3Å; K490-K494 WeakPolarHBondContact O-CG 3.28Å; K490-K494 PolarHBondContact O-N 2.79Å
491	N	52.5	Low	51.2	Low	80 Å²	80	101.2 Å²	101.2	43%	0.428	57%	0.571	S	S	.	*	H	α-helix	trans	-69.8	-46.9	172.7	-75.5	4.5	0	0	0	110.3	E458 A487 A488 A493 K494 T495	E458-N491 PolarHBondContact OE2-ND2 2.85Å; A487-N491 PolarHBondContact O-N 2.97Å; A488-N491 PolarHBondContact O-N 2.87Å; N491-A493 VanDerWaalsContact C-N 3.35Å; N491-A493 PolarHBondContact O-N 3.22Å; N491-K494 PolarHBondContact O-N 3.23Å; N491-K494 VanDerWaalsContact O-N 3.15Å; N491-T495 PolarHBondContact O-N 3.2Å; N491-T495 PolarHBondContact O-OG1 2.62Å
492	S	48.4	Very low	49.6	Very low	77 Å²	77	104.3 Å²	104.3	54%	0.538	60%	0.597	S	S	.	*	H	α-helix	trans	-55.4	-45	174.1	-58.3	0	0	0	0	113.1	A488 A489 K494 T495 V496	A488-S492 PolarHBondContact O-N 3.1Å; A488-S492 PolarHBondContact O-OG 2.86Å; A488-S492 VanDerWaalsContact O-OG 3.12Å; A489-S492 PolarHBondContact O-N 2.99Å; S492-K494 VanDerWaalsContact C-N 3.29Å; S492-K494 PolarHBondContact O-N 2.88Å; S492-T495 PolarHBondContact O-N 2.99Å; S492-V496 WeakPolarHBondContact O-CG2 3.37Å; S492-V496 PolarHBondContact O-N 3.09Å
493	A	46.7	Very low	47.6	Very low	55 Å²	55	106.7 Å²	106.7	46%	0.455	61%	0.613	S	S	.	*	H	α-helix	trans	-69.1	-23	-178.9	0	0	0	0	0	114	A489 N491 N497	A489-A493 VanDerWaalsContact O-CB 3.29Å; A489-A493 WeakPolarHBondContact O-CB 3.29Å; A489-A493 PolarHBondContact O-N 2.98Å; N491-A493 VanDerWaalsContact C-N 3.35Å; N491-A493 PolarHBondContact O-N 3.22Å; A493-N497 PolarHBondContact O-ND2 3.38Å; A493-N497 VanDerWaalsContact O-ND2 3.16Å
494	K	45.1	Very low	46.2	Very low	157 Å²	157	105.5 Å²	105.5	68%	0.683	63%	0.626	S	S	*	*	H	α-helix	trans	-79.8	-35.9	174.2	-80	-177.3	173.5	-175.6	0	112.7	K490 N491 S492 V496	K490-K494 WeakPolarHBondContact O-CG 3.28Å; K490-K494 PolarHBondContact O-N 2.79Å; N491-K494 PolarHBondContact O-N 3.23Å; N491-K494 VanDerWaalsContact O-N 3.15Å; S492-K494 VanDerWaalsContact C-N 3.29Å; S492-K494 PolarHBondContact O-N 2.88Å; K494-V496 VanDerWaalsContact C-N 3.32Å; K494-V496 PolarHBondContact O-N 3.03Å
495	T	37	Very low	44.7	Very low	114 Å²	114	111.6 Å²	111.6	70%	0.699	65%	0.654	S	S	*	*	H	α-helix	trans	-75.2	-19.5	180	-48.3	0	0	0	0	113.2	N491 S492	N491-T495 PolarHBondContact O-N 3.2Å; N491-T495 PolarHBondContact O-OG1 2.62Å; S492-T495 PolarHBondContact O-N 2.99Å
496	V	38.1	Very low	42.8	Very low	118 Å²	118	112.3 Å²	112.3	72%	0.715	66%	0.663	S	S	*	*	S	Bend	trans	-89.7	-17.3	-178	174	0	0	0	0	113.7	S492 K494	S492-V496 WeakPolarHBondContact O-CG2 3.37Å; S492-V496 PolarHBondContact O-N 3.09Å; K494-V496 VanDerWaalsContact C-N 3.32Å; K494-V496 PolarHBondContact O-N 3.03Å
497	N	34.9	Very low	41	Very low	136 Å²	136	111.3 Å²	111.3	73%	0.727	67%	0.668	S	S	*	*	S	Bend	trans	-101.6	21	-176.3	-79.5	-57.5	0	0	0	114.9	A493	A493-N497 PolarHBondContact O-ND2 3.38Å; A493-N497 VanDerWaalsContact O-ND2 3.16Å
498	Q	33.6	Very low	39.8	Very low	167 Å²	167	118.4 Å²	118.4	78%	0.78	70%	0.696	S	S	*	*	S	Bend	trans	-138.2	68.5	176.4	-70.4	-169.4	-26.3	0	0	111.8
499	N	28.6	Very low	38.4	Very low	156 Å²	156	122.3 Å²	122.3	83%	0.834	71%	0.714	S	S	*	*			trans	-158.6	45.2	172.7	-112.5	-29.2	0	0	0	115.5
500	V	31.8	Very low	36.9	Very low	158 Å²	158	129.2 Å²	129.2	96%	0.958	73%	0.727	S	S	*	*			trans	-143.3	123.7	165.7	-174.5	0	0	0	0	109.8
501	G	31	Very low	35.8	Very low	71 Å²	71	128.6 Å²	128.6	73%	0.732	74%	0.737	S	S	*	*			trans	128.9	94.9	156.3	0	0	0	0	0	119.3
502	S	33.9	Very low	34.8	Very low	125 Å²	125	129.1 Å²	129.1	87%	0.874	74%	0.743	S	S	*	*			trans	81.5	160.7	146.3	-145.4	0	0	0	0	121.3
503	L	30.1	Very low	34.3	Very low	170 Å²	170	130.2 Å²	130.2	89%	0.89	75%	0.751	S	S	*	*			trans	-108.8	159.4	-169.2	-79.3	64.1	0	0	0	112.1
504	G	31.6	Very low	33.7	Very low	76 Å²	76	135.1 Å²	135.1	78%	0.784	77%	0.769	S	S	*	*			trans	126.4	131.8	157.3	0	0	0	0	0	114.6
505	H	32.1	Very low	33.3	Very low	166 Å²	166	135.3 Å²	135.3	77%	0.769	78%	0.777	S	S	*	*			cis	165.3	156.7	-19.2	172.7	-101.1	0	0	0	105
506	L	33	Very low	33.2	Very low	144 Å²	144	134.5 Å²	134.5	75%	0.754	77%	0.774	S	S	*	*			trans	67.8	153.5	-173.8	-62.5	125.3	0	0	0	116.8
507	S	31.7	Very low	33.1	Very low	89 Å²	89	136.9 Å²	136.9	62%	0.622	78%	0.782	S	S	*	*			cis	165.5	136.4	-36.6	-97.4	0	0	0	0	109.5
508	Q	34.2	Very low	32.7	Very low	181 Å²	181	136.1 Å²	136.1	85%	0.846	78%	0.782	S	S	*	*			trans	67.8	156.1	160.4	-58.9	172.3	5	0	0	116.5
509	T	31.3	Very low	32.8	Very low	139 Å²	139	134.9 Å²	134.9	85%	0.853	79%	0.786	S	S	*	*			cis	-145.6	176.6	8.9	-20.4	0	0	0	0	112.3
510	R	31.7	Very low	33.1	Very low	203 Å²	203	136.4 Å²	136.4	77%	0.766	79%	0.788	S	S	*	*			trans	-117	160.2	-174.6	-148.7	-170.4	169.8	-170.2	-3.3	111.8	T512	R510-T512 WeakPolarHBondContact CD-OG1 3.45Å; R510-T512 PolarHBondContact NE-OG1 3.03Å
511	P	34.7	Very low	33	Very low	119 Å²	119	135.6 Å²	135.6	77%	0.773	78%	0.778	S	S	*	*				-130.1	175.1	88	15.5	6.7	0	0	0	112.8
512	T	32.4	Very low	32.9	Very low	90 Å²	90	141.8 Å²	141.8	55%	0.552	79%	0.785	S	S	*	*			cis	101.9	144	11.3	-48.3	0	0	0	0	115.1	R510	R510-T512 WeakPolarHBondContact CD-OG1 3.45Å; R510-T512 PolarHBondContact NE-OG1 3.03Å
513	S	36.2	Very low	32.7	Very low	100 Å²	100	143.1 Å²	143.1	70%	0.699	78%	0.781	S	S	*	*			trans	78.9	137.4	-173	79.7	0	0	0	0	116.9
514	D	35.3	Very low	32.7	Very low	158 Å²	158	140.2 Å²	140.2	85%	0.845	77%	0.77	S	S	*	*			cis	-146.5	-171.9	-9.7	-108.3	-22.3	0	0	0	113.5
515	L	36.1	Very low	32.8	Very low	162 Å²	162	141.5 Å²	141.5	85%	0.848	76%	0.764	S	S	*	*			trans	-108.5	-155.9	-148.4	-146.2	77.2	0	0	0	115.4
516	P	35.9	Very low	32.8	Very low	97 Å²	97	139.9 Å²	139.9	63%	0.63	77%	0.769	S	S	*	*				-124.5	-169.8	-119.9	45.5	-28.7	0	0	0	115.6
517	L	35.5	Very low	32.9	Very low	168 Å²	168	140.6 Å²	140.6	88%	0.88	77%	0.772	S	S	*	*			trans	-161.9	150.6	131.8	-108.8	164.8	0	0	0	112.2
518	T	26.7	Very low	32.8	Very low	120 Å²	120	145.6 Å²	145.6	74%	0.736	78%	0.782	S	S	*	*			trans	-126.4	137.9	-172.1	48.3	0	0	0	0	112.3
519	V	35.2	Very low	32.7	Very low	141 Å²	141	140.9 Å²	140.9	86%	0.855	78%	0.782	S	S	*	*			trans	-140.1	113.6	160.1	-176.3	0	0	0	0	111.2
520	E	34.2	Very low	32.6	Very low	187 Å²	187	142.4 Å²	142.4	87%	0.874	78%	0.78	S	S	*	*			trans	12.2	147.6	156.9	-53.6	-168.5	138.8	0	0	124.4
521	D	29.2	Very low	32.6	Very low	141 Å²	141	137.9 Å²	137.9	75%	0.754	78%	0.776	S	S	*	*			trans	-62.6	154	168.7	-74.6	-76.8	0	0	0	115.6
522	K	29.6	Very low	32.5	Very low	202 Å²	202	137.5 Å²	137.5	88%	0.878	77%	0.772	S	S	*	*			trans	-154.8	101	132.1	-118.2	161.3	-168	163	0	113.8
523	I	30.5	Very low	32.4	Very low	153 Å²	153	140.2 Å²	140.2	79%	0.785	78%	0.781	S	S	*	*			trans	-74.2	143.7	162.8	-61.2	173	0	0	0	108.7
524	T	30.7	Very low	32.2	Very low	109 Å²	109	144.9 Å²	144.9	67%	0.669	79%	0.785	S	S	*	*			trans	-146.7	134.4	172.2	-64.7	0	0	0	0	109.5
525	P	32.9	Very low	32	Very low	102 Å²	102	142.9 Å²	142.9	66%	0.662	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-75.9	164.8	-171.6	30.7	-36.9	0	0	0	113.8	I527	P525-I527 PolarHBondContact O-N 2.87Å
526	P	32.3	Very low	31.5	Very low	133 Å²	133	141.5 Å²	141.5	86%	0.864	78%	0.779	S	S	*	*	P	Polyproline II helix	trans	-65.2	129.7	-177.8	26.2	-35.1	0	0	0	112.7
527	I	33.8	Very low	31.3	Very low	159 Å²	159	141 Å²	141	82%	0.815	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-83.4	138.7	178.2	-65.7	171.6	0	0	0	110	P525	P525-I527 PolarHBondContact O-N 2.87Å
528	K	31.3	Very low	30.9	Very low	194 Å²	194	142.3 Å²	142.3	84%	0.843	78%	0.781	S	S	*	*	P	Polyproline II helix	trans	-65.5	130.6	175.4	-65.4	172.2	179.3	172.7	0	110.5	E530	K528-E530 PolarHBondContact O-N 3.23Å
529	G	31.5	Very low	31.2	Very low	82 Å²	82	144 Å²	144	85%	0.845	78%	0.784	S	S	*	*			trans	-76.3	111.6	165.5	0	0	0	0	0	110.8
530	E	29.6	Very low	31	Very low	171 Å²	171	146.4 Å²	146.4	80%	0.799	78%	0.783	S	S	*	*			trans	-75.2	156.4	167.1	-74.8	-170.5	125.6	0	0	111.3	K528	K528-E530 PolarHBondContact O-N 3.23Å
531	P	30.1	Very low	30.6	Very low	107 Å²	107	146.6 Å²	146.6	70%	0.695	78%	0.784	S	S	*	*			trans	-66.5	134.1	176.8	28	-35	0	0	0	111.3	I533	P531-I533 PolarHBondContact O-N 2.57Å
532	V	34.3	Very low	30.8	Very low	112 Å²	112	148.9 Å²	148.9	68%	0.679	79%	0.791	S	S	*	*			trans	-72.8	92.9	177.2	-177.5	0	0	0	0	110	Y534	V532-Y534 HydrophobicContact CG1-CD2 4.09Å; V532-Y534 HydrophobicContact CG1-CE1 4.17Å; V532-Y534 HydrophobicContact CG1-CE2 3.71Å; V532-Y534 HydrophobicContact CG1-CG 4.48Å; V532-Y534 PolarHBondContact O-N 3.28Å
533	I	29.4	Very low	30.8	Very low	147 Å²	147	144 Å²	144	75%	0.754	78%	0.782	S	S	*	*			trans	-81.6	105.6	168	-59.6	174.5	0	0	0	107.8	P531	P531-I533 PolarHBondContact O-N 2.57Å
534	Y	32.5	Very low	30.9	Very low	198 Å²	198	144.5 Å²	144.5	78%	0.776	78%	0.784	S	S	*	*			trans	-69.2	129.1	170.5	-72.7	-78.6	0	0	0	110.1	V532	V532-Y534 HydrophobicContact CG1-CD2 4.09Å; V532-Y534 HydrophobicContact CG1-CE1 4.17Å; V532-Y534 HydrophobicContact CG1-CE2 3.71Å; V532-Y534 HydrophobicContact CG1-CG 4.48Å; V532-Y534 PolarHBondContact O-N 3.28Å
535	P	30	Very low	30.8	Very low	115 Å²	115	146.1 Å²	146.1	75%	0.747	79%	0.789	S	S	*	*			trans	-71.6	136.6	-177.1	28.5	-34.4	0	0	0	111.3	A537	P535-A537 PolarHBondContact O-N 3.26Å
536	T	27.4	Very low	30.7	Very low	133 Å²	133	146.5 Å²	146.5	82%	0.816	79%	0.794	S	S	*	*			trans	-61.9	108.3	175.3	-47.1	0	0	0	0	110.5	K538	T536-K538 PolarHBondContact O-N 3.12Å
537	A	30	Very low	30.5	Very low	86 Å²	86	147.5 Å²	147.5	71%	0.711	79%	0.792	S	S	*	*			trans	-69	90.5	176.4	0	0	0	0	0	110.7	P535 I539	P535-A537 PolarHBondContact O-N 3.26Å; A537-I539 PolarHBondContact O-N 2.84Å
538	K	27.9	Very low	30.5	Very low	196 Å²	196	148.9 Å²	148.9	85%	0.852	80%	0.795	S	S	*	*			trans	-66.4	84.1	165.5	-72.7	-173.6	176.4	-177.1	0	109.3	T536 K540	T536-K538 PolarHBondContact O-N 3.12Å; K538-K540 PolarHBondContact O-N 3.36Å; K538-K540 VanDerWaalsContact O-N 3.16Å
539	I	34.1	Very low	30.5	Very low	156 Å²	156	148.6 Å²	148.6	80%	0.8	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-63.8	116.8	166.3	-64.4	179.7	0	0	0	106.8	A537 E541	A537-I539 PolarHBondContact O-N 2.84Å; I539-E541 PolarHBondContact O-N 3.09Å
540	K	29.1	Very low	30.2	Very low	192 Å²	192	150.1 Å²	150.1	84%	0.835	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-76.4	120.6	-174.5	-164.6	176.9	-174.4	-179.1	0	108.5	K538 Q542	K538-K540 PolarHBondContact O-N 3.36Å; K538-K540 VanDerWaalsContact O-N 3.16Å; K540-Q542 PolarHBondContact O-N 3.28Å
541	E	26.9	Very low	30.4	Very low	191 Å²	191	150.7 Å²	150.7	89%	0.893	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-57.1	127.5	175.3	-63.5	172.1	131.1	0	0	109.9	I539	I539-E541 PolarHBondContact O-N 3.09Å
542	Q	32.6	Very low	30.1	Very low	189 Å²	189	152.4 Å²	152.4	88%	0.883	80%	0.798	S	S	*	*			trans	-107.4	107.2	161	-81.5	-169.5	-34.9	0	0	108	K540 I544	K540-Q542 PolarHBondContact O-N 3.28Å; Q542-I544 PolarHBondContact O-N 3.11Å
543	S	29.6	Very low	30	Very low	99 Å²	99	153.2 Å²	153.2	69%	0.692	80%	0.803	S	S	*	*			trans	-62.2	120	176.8	52.8	0	0	0	0	111.3
544	I	32.8	Very low	29.7	Very low	163 Å²	163	151.7 Å²	151.7	84%	0.836	80%	0.801	S	S	*	*			trans	-98.3	104.2	154.3	-65.5	172	0	0	0	106.4	Q542 S546	Q542-I544 PolarHBondContact O-N 3.11Å; I544-S546 PolarHBondContact O-N 2.87Å
545	N	28.1	Very low	29.7	Very low	143 Å²	143	151.7 Å²	151.7	77%	0.765	81%	0.805	S	S	*	*			trans	-75	118.4	174.6	-79.4	-15.4	0	0	0	110.1
546	S	32.4	Very low	29.6	Very low	110 Å²	110	150.5 Å²	150.5	77%	0.769	79%	0.792	S	S	*	*			trans	-133.2	111.1	149.5	43	0	0	0	0	108.5	I544	I544-S546 PolarHBondContact O-N 2.87Å
547	N	28	Very low	29.6	Very low	155 Å²	155	146.1 Å²	146.1	83%	0.829	77%	0.767	S	S	*	*			trans	-65.4	138.5	169.8	-65	-55.8	0	0	0	108.5
548	E	32.8	Very low	29.8	Very low	188 Å²	188	151.5 Å²	151.5	88%	0.879	78%	0.775	S	S	*	*				-160.7	155.8	109	-110.1	173.7	-177.3	0	0	114.8
549	K	31.7	Very low	29.9	Very low	187 Å²	187	146.7 Å²	146.7	81%	0.813	75%	0.754	S	S	*	*			trans	-64.4	136.3	-160.1	-68.1	154.6	178.5	166.8	0	114.2
550	T	26	Very low	29.6	Very low	114 Å²	114	143.7 Å²	143.7	70%	0.699	74%	0.743	S	S	*	*			trans	-3.6	130	134	53.2	0	0	0	0	116.8
551	H	32	Very low	29.8	Very low	184 Å²	184	141.5 Å²	141.5	85%	0.852	75%	0.746	S	S	*	*			trans	-154.2	125.8	132.1	-103.6	-66.8	0	0	0	112.1
552	T	25	Very low	30	Very low	143 Å²	143	138.3 Å²	138.3	88%	0.877	74%	0.735	S	S	*	*			trans	-90.6	114.3	178.6	-42.9	0	0	0	0	110.3
553	V	31.2	Very low	30.3	Very low	129 Å²	129	134.3 Å²	134.3	78%	0.782	73%	0.725	S	S	*	*			trans	-144	120.9	168	-177.7	0	0	0	0	110.7
554	T	23.4	Very low	30.6	Very low	115 Å²	115	135.6 Å²	135.6	71%	0.706	73%	0.731	S	S	*	*			trans	-78.3	148.4	162.2	30.3	0	0	0	0	110.6
555	F	31.7	Very low	30.4	Very low	198 Å²	198	133.1 Å²	133.1	87%	0.868	73%	0.728	S	S	*	*				-174.9	166	128.5	-107.7	-67.9	0	0	0	115.4
556	D	28.6	Very low	30.7	Very low	89 Å²	89	134.4 Å²	134.4	48%	0.476	73%	0.734	S	S	.	*			trans	-60.7	129.2	179.8	-89.9	-54.1	0	0	0	115.4	K144	K144-D556 WeakPolarHBondContact CE-OD2 3.33Å; K144-D556 IonicContact NZ-OD2 3.62Å; K144-D556 PolarHBondContact NZ-OD2 3.38Å
557	S	28.5	Very low	30.5	Very low	41 Å²	41	134 Å²	134	29%	0.287	73%	0.729	S	S	.	*				37.6	109.6	117.7	169.6	0	0	0	0	120.3	K142	K142-S557 VanDerWaalsContact CD-OG 3.31Å; K142-S557 WeakPolarHBondContact CD-OG 3.19Å; K142-S557 WeakPolarHBondContact CE-OG 3.27Å; K142-S557 PolarHBondContact NZ-OG 3.41Å
558	F	33.4	Very low	30.7	Very low	199 Å²	199	133.9 Å²	133.9	87%	0.873	73%	0.728	S	S	*	*			trans	-145.4	-163.1	132.5	-91	-68.5	0	0	0	111.4
559	K	30.2	Very low	30.7	Very low	96 Å²	96	130.2 Å²	130.2	42%	0.417	72%	0.718	S	S	.	*				-156.5	140	-116.7	-167.6	-152.1	-175.3	-147	0	113.2	S140	S140-K559 WeakPolarHBondContact O-CE 3.4Å; S140-K559 PolarHBondContact O-NZ 3.19Å; S140-K559 WeakPolarHBondContact OG-CE 3.45Å; S140-K559 PolarHBondContact OG-NZ 2.8Å
560	T	27.1	Very low	30.5	Very low	93 Å²	93	127.2 Å²	127.2	57%	0.571	72%	0.717	S	S	*	*			trans	49.7	115.4	160.3	44.2	0	0	0	0	119.8
561	T	33.4	Very low	30.8	Very low	145 Å²	145	126.9 Å²	126.9	89%	0.89	72%	0.72	S	S	*	*			trans	-137.1	140.2	144.5	-36.9	0	0	0	0	108.3
562	D	31.2	Very low	30.6	Very low	125 Å²	125	125.9 Å²	125.9	67%	0.668	72%	0.719	S	S	*	*	P	Polyproline II helix	trans	-100.4	171.1	-174.9	-97.6	-52.5	0	0	0	112.7
563	P	38.7	Very low	30.9	Very low	105 Å²	105	126.7 Å²	126.7	68%	0.682	72%	0.717	S	S	*	*	P	Polyproline II helix	trans	-102.3	171.3	-150.8	39.7	-39.5	0	0	0	116.1
564	P	36.3	Very low	30.7	Very low	125 Å²	125	131 Å²	131	81%	0.812	72%	0.72	S	S	*	*	P	Polyproline II helix	trans	-87	122.3	157.3	33.7	-28.9	0	0	0	111.3
565	S	28.6	Very low	31.1	Very low	112 Å²	112	134.3 Å²	134.3	78%	0.783	73%	0.729	S	S	*	*	P	Polyproline II helix	trans	-87.2	124.9	169.5	56.2	0	0	0	0	111.4
566	L	34.1	Very low	31	Very low	169 Å²	169	129.3 Å²	129.3	89%	0.885	72%	0.719	S	S	*	*			trans	-136.5	152.6	164.1	-76.1	177.7	0	0	0	111.7
567	P	29	Very low	31.1	Very low	103 Å²	103	130.3 Å²	130.3	67%	0.669	73%	0.73	S	S	*	*			trans	-115	-154.4	-163.7	42.4	-29.5	0	0	0	113.2
568	L	31.6	Very low	31.7	Very low	151 Å²	151	134.8 Å²	134.8	79%	0.791	76%	0.758	S	S	*	*			trans	83.4	112.4	176.6	-60.1	126.7	0	0	0	114
569	V	32.4	Very low	31.6	Very low	112 Å²	112	133.8 Å²	133.8	68%	0.679	75%	0.754	S	S	*	*				92.8	125.5	60.9	161.9	0	0	0	0	111.2	S571	V569-S571 PolarHBondContact O-N 2.99Å
570	P	28	Very low	31.6	Very low	123 Å²	123	137.6 Å²	137.6	80%	0.799	77%	0.773	S	S	*	*			trans	-79.1	104.4	-176.7	31.1	-34.5	0	0	0	112.1	I572	P570-I572 PolarHBondContact O-N 2.89Å
571	S	33.2	Very low	31.9	Very low	108 Å²	108	139.1 Å²	139.1	76%	0.755	78%	0.782	S	S	*	*			trans	-80.4	103.6	178.5	-68.8	0	0	0	0	112.9	V569 L573	V569-S571 PolarHBondContact O-N 2.99Å; S571-L573 PolarHBondContact O-N 3Å
572	I	28.1	Very low	31.8	Very low	162 Å²	162	138.4 Å²	138.4	83%	0.831	77%	0.773	S	S	*	*			trans	-65.6	124	161.7	-60.9	167.3	0	0	0	108.5	P570	P570-I572 PolarHBondContact O-N 2.89Å
573	L	31.3	Very low	31.8	Very low	161 Å²	161	141 Å²	141	84%	0.843	78%	0.778	S	S	*	*			trans	-109.7	108.7	167	-83.1	171.8	0	0	0	110.9	S571	S571-L573 PolarHBondContact O-N 3Å
574	R	25.9	Very low	31.5	Very low	220 Å²	220	140.9 Å²	140.9	83%	0.83	78%	0.779	S	S	*	*			trans	-65.8	136.3	159.9	-80	174.3	164.1	160.4	-6.5	109
575	M	31.1	Very low	31.2	Very low	183 Å²	183	143.5 Å²	143.5	90%	0.901	78%	0.78	S	S	*	*			trans	-108	134.7	149.4	-75.2	-96.6	62.2	0	0	108.2
576	S	31.2	Very low	31.3	Very low	94 Å²	94	145.1 Å²	145.1	66%	0.657	78%	0.779	S	S	*	*	P	Polyproline II helix	trans	-94	152.5	-168.7	-61.4	0	0	0	0	111.9
577	P	29.6	Very low	31.1	Very low	109 Å²	109	141.9 Å²	141.9	71%	0.708	77%	0.77	S	S	*	*	P	Polyproline II helix	trans	-74.2	143.2	179.3	30.8	-35.3	0	0	0	112
578	P	41.6	Very low	31.1	Very low	135 Å²	135	141.9 Å²	141.9	88%	0.877	77%	0.773	S	S	*	*	P	Polyproline II helix	trans	-69.8	129.4	168.5	29.2	-32.3	0	0	0	110.3
579	K	31.2	Very low	31.1	Very low	179 Å²	179	140.4 Å²	140.4	78%	0.778	78%	0.775	S	S	*	*	P	Polyproline II helix	trans	-101.6	143.7	176.1	-87.3	-175.6	173.6	-178.6	0	111
580	Q	29.6	Very low	31.2	Very low	176 Å²	176	141 Å²	141	82%	0.822	78%	0.784	S	S	*	*			trans	65.6	137.2	156.9	-65.6	167.5	-38.1	0	0	115
581	V	33.3	Very low	31.4	Very low	125 Å²	125	139.9 Å²	139.9	76%	0.758	78%	0.779	S	S	*	*				-158.9	130.5	73.9	149.7	0	0	0	0	112.2
582	N	31	Very low	31.3	Very low	130 Å²	130	140.2 Å²	140.2	70%	0.695	78%	0.777	S	S	*	*			trans	53.1	116.9	148.5	-66.9	-17.2	0	0	0	124.6
583	K	31.7	Very low	31.6	Very low	179 Å²	179	137.5 Å²	137.5	78%	0.778	77%	0.772	S	S	*	*				94	137.6	122.2	-74.1	177.4	-180	-175.3	0	121.4
584	S	32.2	Very low	31.8	Very low	102 Å²	102	134.2 Å²	134.2	71%	0.713	76%	0.763	S	S	*	*			trans	56.1	111.8	159.6	39.5	0	0	0	0	118
585	H	30.1	Very low	32.2	Very low	181 Å²	181	129 Å²	129	84%	0.838	76%	0.76	S	S	*	*				88.4	132.8	57.3	-87.5	-73.5	0	0	0	114.5
586	I	31.8	Very low	32.5	Very low	145 Å²	145	125.1 Å²	125.1	74%	0.744	75%	0.751	S	S	*	*			trans	79.7	92.8	153.8	-64.2	162	0	0	0	117.1
587	S	29.7	Very low	32.9	Very low	102 Å²	102	124.5 Å²	124.5	71%	0.713	75%	0.747	S	S	*	*				75.3	126.4	121.9	-53.1	0	0	0	0	123.4
588	S	28.9	Very low	33.3	Very low	102 Å²	102	126.2 Å²	126.2	71%	0.713	75%	0.75	S	S	*	*			trans	62.1	113.3	133.7	62.6	0	0	0	0	121.4
589	S	31.8	Very low	33.2	Very low	120 Å²	120	126.7 Å²	126.7	84%	0.839	75%	0.745	S	S	*	*			trans	53.3	115.4	137.7	60.4	0	0	0	0	120
590	S	34.2	Very low	33.7	Very low	126 Å²	126	124.8 Å²	124.8	88%	0.881	74%	0.744	S	S	*	*			trans	-113	143.5	151.2	47.7	0	0	0	0	109.8
591	S	31.4	Very low	34.3	Very low	98 Å²	98	124.2 Å²	124.2	69%	0.685	75%	0.746	S	S	*	*			trans	-103	-169.5	-178	57	0	0	0	0	111.8
592	T	31.5	Very low	34.6	Very low	115 Å²	115	121.7 Å²	121.7	71%	0.706	75%	0.746	S	S	*	*			trans	65.9	106.9	152.1	36.5	0	0	0	0	116.7
593	S	33.7	Very low	35.2	Very low	105 Å²	105	122.2 Å²	122.2	73%	0.734	75%	0.748	S	S	*	*				91.2	164.2	77.1	80.4	0	0	0	0	111.7
594	S	35.6	Very low	35.6	Very low	92 Å²	92	119.5 Å²	119.5	64%	0.643	74%	0.742	S	S	*	*			cis	-166.5	168.9	7.9	22.5	0	0	0	0	109.7
595	S	35	Very low	36	Very low	110 Å²	110	120.4 Å²	120.4	77%	0.769	74%	0.739	S	S	*	*			trans	62.2	152.4	148.8	45.7	0	0	0	0	120.2
596	S	37.8	Very low	36.3	Very low	103 Å²	103	116.9 Å²	116.9	72%	0.72	73%	0.727	S	S	*	*			cis	-168	163.5	-16.2	52.5	0	0	0	0	112.1
597	S	39.4	Very low	36.5	Very low	81 Å²	81	117.5 Å²	117.5	57%	0.566	73%	0.726	S	S	*	*			trans	65.7	109.2	132.1	62.5	0	0	0	0	123.7
598	D	37.5	Very low	36.6	Very low	145 Å²	145	118.5 Å²	118.5	78%	0.775	72%	0.719	S	S	*	*				80.2	150.9	112.4	-46.9	-26	0	0	0	124.1
599	D	40.7	Very low	36.7	Very low	145 Å²	145	121.4 Å²	121.4	78%	0.775	72%	0.719	S	S	*	*			trans	86.1	127.6	154.9	-54.5	-25.3	0	0	0	126
600	D	41.6	Very low	36.7	Very low	139 Å²	139	122.3 Å²	122.3	74%	0.743	72%	0.72	S	S	*	*			trans	72.1	125	142.2	-61.4	-11.1	0	0	0	128.3
601	D	41.9	Very low	36.4	Very low	163 Å²	163	122.2 Å²	122.2	87%	0.872	72%	0.718	S	S	*	*			trans	59.7	147.5	136.9	-67.5	-15.2	0	0	0	125
602	G	40	Very low	36.5	Very low	73 Å²	73	127 Å²	127	75%	0.753	73%	0.726	S	S	*	*			trans	179.2	-8.3	179.7	0	0	0	0	0	122.5
603	D	42.7	Very low	36.5	Very low	141 Å²	141	127 Å²	127	75%	0.754	72%	0.722	S	S	*	*			trans	62.9	144.4	159	-116.6	16.2	0	0	0	124
604	N	40	Very low	36.4	Very low	121 Å²	121	129.9 Å²	129.9	65%	0.647	72%	0.721	S	S	*	*			trans	63.6	129.9	147.3	-64.6	-30.4	0	0	0	122.6
605	D	40.2	Very low	36.1	Very low	121 Å²	121	134.1 Å²	134.1	65%	0.647	73%	0.728	S	S	*	*			cis	-179.4	160	-1.3	-138.6	0.6	0	0	0	113.1
606	N	36.3	Very low	35.8	Very low	108 Å²	108	135.7 Å²	135.7	58%	0.578	73%	0.726	S	S	*	*			trans	71.1	115.5	146.8	-62.9	-33.3	0	0	0	126
607	H	37	Very low	35.5	Very low	158 Å²	158	136.1 Å²	136.1	73%	0.731	73%	0.729	S	S	*	*			trans	53.1	145.5	130	-70	-90.8	0	0	0	122.3
608	E	31.6	Very low	34.9	Very low	123 Å²	123	141.5 Å²	141.5	58%	0.575	74%	0.743	S	S	*	*			cis	-161.5	166.7	-16.9	-177.5	163.2	173.3	0	0	110.1
609	K	31.3	Very low	34.8	Very low	162 Å²	162	140.9 Å²	140.9	70%	0.704	75%	0.747	S	S	*	*			trans	-22.8	134.1	167.5	-47.9	151.6	-167.5	149.1	0	115.6
610	T	32.1	Very low	34.1	Very low	140 Å²	140	143.1 Å²	143.1	86%	0.859	75%	0.75	S	S	*	*				176.7	156.5	97.9	32	0	0	0	0	112.4
611	C	27.3	Very low	33.5	Very low	124 Å²	124	147.3 Å²	147.3	84%	0.838	76%	0.755	S	S	*	*			trans	-82	137	179.5	-53.7	0	0	0	0	112.6
612	K	33.2	Very low	32.8	Very low	197 Å²	197	143.9 Å²	143.9	86%	0.857	75%	0.749	S	S	*	*			trans	-167.1	135.8	135.4	-111.6	160.2	-171.5	173.9	0	114.9
613	D	31.1	Very low	32.2	Very low	116 Å²	116	149.5 Å²	149.5	62%	0.62	75%	0.753	S	S	*	*			trans	57.3	121.1	142.1	-93.4	-22.7	0	0	0	122.9
614	K	31.6	Very low	31.7	Very low	166 Å²	166	148 Å²	148	72%	0.722	75%	0.749	S	S	*	*				84.7	131.6	129.4	-71.7	163.1	-174.4	140	0	121.7
615	K	29.9	Very low	31.1	Very low	180 Å²	180	150.1 Å²	150.1	78%	0.783	76%	0.755	S	S	*	*			trans	86.4	117.1	142.5	-81.5	-176.7	166.9	-173	0	120.8
616	I	28.4	Very low	30.5	Very low	143 Å²	143	149.9 Å²	149.9	73%	0.733	76%	0.758	S	S	*	*			trans	68.7	112.3	131.1	-56.1	165.5	0	0	0	117.7
617	S	30.9	Very low	30.2	Very low	112 Å²	112	151.5 Å²	151.5	78%	0.783	77%	0.767	S	S	*	*				-170.1	147.1	112.3	42.4	0	0	0	0	112.8
618	F	28.4	Very low	29.8	Very low	194 Å²	194	152 Å²	152	85%	0.851	77%	0.771	S	S	*	*			trans	-83.1	162	159	-61	-96.5	0	0	0	108.4
619	P	33.9	Very low	29.7	Very low	132 Å²	132	149.9 Å²	149.9	86%	0.857	77%	0.77	S	S	*	*				-147.4	-167.2	89.4	38.5	-19.9	0	0	0	114.5
620	F	27	Very low	29.4	Very low	192 Å²	192	147.2 Å²	147.2	84%	0.842	77%	0.771	S	S	*	*			trans	-126	154.4	-164.7	-138.6	-87.1	0	0	0	111.4
621	R	27.9	Very low	29.2	Very low	228 Å²	228	143 Å²	143	86%	0.86	75%	0.745	S	S	*	*			trans	90.6	133	144.5	-137.9	178.3	-165.9	172.3	4.6	121.3
622	A	28.4	Very low	29	Very low	90 Å²	90	145.1 Å²	145.1	74%	0.744	75%	0.748	S	S	*	*			trans	75	153	155.7	0	0	0	0	0	116.8
623	K	27.2	Very low	28.7	Very low	191 Å²	191	144 Å²	144	83%	0.83	75%	0.75	S	S	*	*			cis	-161.4	169.6	3	-148.7	-178.7	178.6	-171.1	0	111.1
624	V	32.1	Very low	28.4	Very low	110 Å²	110	147.5 Å²	147.5	67%	0.667	76%	0.76	S	S	*	*			trans	85.1	134.9	160.2	-179.6	0	0	0	0	119
625	E	26.5	Very low	28.2	Very low	165 Å²	165	144.7 Å²	144.7	77%	0.771	76%	0.761	S	S	*	*			trans	-19.8	163.3	155.8	-58.2	134.8	-172.3	0	0	118.4
626	T	29.5	Very low	27.9	Very low	117 Å²	117	143.5 Å²	143.5	72%	0.718	76%	0.758	S	S	*	*			cis	-153.5	177.5	22.1	-24.4	0	0	0	0	112.6
627	D	29.2	Very low	27.9	Very low	141 Å²	141	141.5 Å²	141.5	75%	0.754	76%	0.757	S	S	*	*			trans	71.5	103.4	154.2	-65.3	-28.1	0	0	0	122.9
628	M	28.4	Very low	27.6	Very low	169 Å²	169	144.7 Å²	144.7	83%	0.833	76%	0.757	S	S	*	*				71.7	153.5	128.5	-84.1	-66.6	167.6	0	0	123.8
629	S	29	Very low	27.6	Very low	79 Å²	79	140.2 Å²	140.2	55%	0.552	75%	0.75	S	S	*	*			trans	65.7	97.5	162.3	42.4	0	0	0	0	119.8	L106	L106-S629 VanDerWaalsContact CD2-CB 3.46Å
630	C	26.6	Very low	27.3	Very low	105 Å²	105	139.4 Å²	139.4	71%	0.709	75%	0.747	S	S	*	*			trans	-103.6	145.2	157.3	-60.7	0	0	0	0	110.6	L106 V107	L106-C630 WeakPolarHBondContact CD2-O 3.5Å; V107-C630 VanDerWaalsContact CG2-O 3.31Å; V107-C630 WeakPolarHBondContact CG2-O 3.43Å
631	P	25.9	Very low	27.3	Very low	51 Å²	51	133.7 Å²	133.7	33%	0.331	74%	0.742	S	S	.	*				-150.2	154.8	119.5	36.6	-20.4	0	0	0	116.5	D105 L633	D105-P631 HydrophobicContact CB-CG 4.37Å; D105-P631 WeakPolarHBondContact OD1-CD 3.42Å; D105-P631 WeakPolarHBondContact OD1-CG 3.34Å; P631-L633 PolarHBondContact O-N 3.46Å
632	L	24	Very low	27.2	Very low	169 Å²	169	127.7 Å²	127.7	89%	0.885	73%	0.731	S	S	*	*			trans	39.4	73.7	142	-69.2	158.9	0	0	0	118
633	L	27.3	Very low	27.4	Very low	173 Å²	173	131.8 Å²	131.8	91%	0.906	74%	0.74	S	S	*	*			trans	-104.5	119.5	151.7	-85.7	168.6	0	0	0	110.5	P631 S635	P631-L633 PolarHBondContact O-N 3.46Å; L633-S635 PolarHBondContact O-N 2.9Å
634	K	24.2	Very low	27.3	Very low	190 Å²	190	126.9 Å²	126.9	83%	0.826	73%	0.729	S	S	*	*			trans	-69.9	119.8	178.3	-62.7	171.8	178.8	179	0	109.5
635	S	27.2	Very low	27.4	Very low	108 Å²	108	128.5 Å²	128.5	76%	0.755	73%	0.734	S	S	*	*			trans	-107.1	101.6	167.5	46.2	0	0	0	0	109.3	L633 S637	L633-S635 PolarHBondContact O-N 2.9Å; S635-S637 VanDerWaalsContact C-N 3.29Å; S635-S637 PolarHBondContact O-N 2.81Å
636	E	24.9	Very low	28	Very low	154 Å²	154	128.9 Å²	128.9	72%	0.72	73%	0.733	S	S	*	*			trans	-76.6	77.3	-179.7	-67	-172.1	178.5	0	0	111.4	K638	E636-K638 PolarHBondContact O-N 2.82Å
637	S	27.3	Very low	29.1	Very low	101 Å²	101	124.7 Å²	124.7	71%	0.706	71%	0.714	S	S	*	*			trans	-71	86.6	173.8	59.2	0	0	0	0	111.2	S635 S639	S635-S637 VanDerWaalsContact C-N 3.29Å; S635-S637 PolarHBondContact O-N 2.81Å; S637-S639 VanDerWaalsContact C-N 3.3Å; S637-S639 PolarHBondContact O-N 3.12Å
638	K	25.5	Very low	30.9	Very low	180 Å²	180	124.3 Å²	124.3	78%	0.783	71%	0.711	S	S	*	*			trans	-67.2	83.1	171.5	-77.9	171.4	178.2	152.7	0	111.4	E636	E636-K638 PolarHBondContact O-N 2.82Å
639	S	28.6	Very low	33.7	Very low	100 Å²	100	117.4 Å²	117.4	70%	0.699	68%	0.678	S	S	*	*			trans	-108.9	87.9	167.3	58.3	0	0	0	0	110.1	S637 G641	S637-S639 VanDerWaalsContact C-N 3.3Å; S637-S639 PolarHBondContact O-N 3.12Å; S639-G641 VanDerWaalsContact C-N 3.3Å; S639-G641 PolarHBondContact O-N 2.9Å
640	S	26	Very low	36.6	Very low	115 Å²	115	118 Å²	118	80%	0.804	67%	0.67	S	S	*	*			trans	-68.2	87.4	172.9	45.9	0	0	0	0	110.2	T642	S640-T642 VanDerWaalsContact C-N 3.28Å; S640-T642 PolarHBondContact O-N 2.94Å
641	G	26.9	Very low	39.5	Very low	71 Å²	71	118 Å²	118	73%	0.732	66%	0.662	S	S	*	*			trans	-73.6	66.8	-172	0	0	0	0	0	114.4	S639 L643	S639-G641 VanDerWaalsContact C-N 3.3Å; S639-G641 PolarHBondContact O-N 2.9Å; G641-L643 PolarHBondContact O-N 3.03Å
642	T	26.6	Very low	42.5	Very low	102 Å²	102	117 Å²	117	63%	0.626	66%	0.661	S	S	*	*			trans	-53.9	129	161.5	-49.6	0	0	0	0	108.7	S640 S644 N645	S640-T642 VanDerWaalsContact C-N 3.28Å; S640-T642 PolarHBondContact O-N 2.94Å; T642-S644 PolarHBondContact O-N 2.8Å; T642-N645 PolarHBondContact O-N 3.19Å
643	L	32.4	Very low	45.6	Very low	177 Å²	177	111.8 Å²	111.8	93%	0.927	63%	0.632	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.4	50.7	170.5	-87.7	163.1	0	0	0	111.9	G641	G641-L643 PolarHBondContact O-N 3.03Å
644	S	25.8	Very low	48.7	Very low	87 Å²	87	104.8 Å²	104.8	61%	0.608	60%	0.595	S	S	*	*	T	Hydrogen-bonded Turn	trans	-153	24.8	173.4	-167.3	0	0	0	0	110.1	T642 K646	T642-S644 PolarHBondContact O-N 2.8Å; S644-K646 PolarHBondContact O-N 2.98Å
645	N	33.5	Very low	51.9	Low	145 Å²	145	100 Å²	100	78%	0.775	58%	0.575	S	S	*	*			trans	-72.8	94.2	169.1	-164.4	-3.6	0	0	0	108.6	T642 G647	T642-N645 PolarHBondContact O-N 3.19Å; N645-G647 PolarHBondContact O-N 3.47Å
646	K	39.8	Very low	54.7	Low	172 Å²	172	95 Å²	95	75%	0.748	54%	0.541	S	S	*	.			trans	-70.1	59.6	171.2	-74.3	-174.7	173.9	-179.2	0	111	S644 N648	S644-K646 PolarHBondContact O-N 2.98Å; K646-N648 PolarHBondContact O-N 3.08Å; K646-N648 PolarHBondContact O-OD1 2.83Å
647	G	51.4	Low	57.7	Low	30 Å²	30	88.1 Å²	88.1	31%	0.309	51%	0.508	S	S	.	.			trans	-69.3	84.9	162.4	0	0	0	0	0	108.1	N645 I649	N645-G647 PolarHBondContact O-N 3.47Å; G647-I649 PolarHBondContact O-N 2.78Å
648	N	68.2	Low	60	Low	132 Å²	132	86.9 Å²	86.9	71%	0.706	51%	0.511	S	S	*	.			trans	-42.6	108.5	-164.6	-66.9	-40.4	0	0	0	113	K646 K650	K646-N648 PolarHBondContact O-N 3.08Å; K646-N648 PolarHBondContact O-OD1 2.83Å; N648-K650 PolarHBondContact O-N 2.94Å
649	I	86.5	Confident	62.1	Low	25 Å²	25	80.7 Å²	80.7	13%	0.128	50%	0.498	C	S	.	.	P	Polyproline II helix	trans	-59.6	129.6	164	-67.9	166.3	0	0	0	107.4	G647 L690 V956 T959 V971	G647-I649 PolarHBondContact O-N 2.78Å; I649-L690 HydrophobicContact CG1-CB 4.36Å; I649-L690 HydrophobicContact CG2-CB 3.95Å; I649-V956 HydrophobicContact CD1-CB 4.43Å; I649-V956 HydrophobicContact CD1-CG1 4.42Å; I649-T959 HydrophobicContact CD1-CG2 4.32Å; I649-T959 HydrophobicContact CG2-CG2 3.95Å; I649-V971 HydrophobicContact CG2-CG1 3.56Å
650	K	89.4	Confident	64.2	Low	91 Å²	91	79.3 Å²	79.3	40%	0.396	49%	0.488	S	S	.	.	P	Polyproline II helix	trans	-75.2	128.8	-179	-179.8	-176.6	167.4	-136.8	0	109	N648 L690 K691 T692 H693 V971	N648-K650 PolarHBondContact O-N 2.94Å; K650-L690 PolarHBondContact N-O 3.03Å; K650-K691 VanDerWaalsContact CB-O 3.3Å; K650-K691 WeakPolarHBondContact CB-O 3.4Å; K650-T692 PolarHBondContact NZ-O 2.72Å; K650-H693 HydrophobicContact CD-CB 4.47Å; K650-H693 WeakPolarHBondContact CD-ND1 3.29Å; K650-H693 WeakPolarHBondContact CE-ND1 3.33Å; K650-H693 VanDerWaalsContact CG-CE1 3.49Å; K650-H693 WeakPolarHBondContact CG-CE1 3.5Å; K650-H693 PolarHBondContact NZ-ND1 2.92Å; K650-H693 PolarHBondContact O-CE1 2.88Å; K650-H693 VanDerWaalsContact O-CE1 3.31Å; K650-H693 PolarHBondContact O-NE2 3.12Å; K650-V971 WeakPolarHBondContact O-CG1 3.48Å
651	I	89.1	Confident	66.7	Low	104 Å²	104	78.2 Å²	78.2	53%	0.533	49%	0.486	S	S	.	.	P	Polyproline II helix	trans	-86.2	139.9	175.5	-47	-175.4	0	0	0	107.9	V971 V973	I651-V971 VanDerWaalsContact CG2-O 3.32Å; I651-V971 WeakPolarHBondContact CG2-O 3.17Å; I651-V973 HydrophobicContact CD1-CB 4.04Å; I651-V973 HydrophobicContact CD1-CG2 3.59Å; I651-V973 HydrophobicContact CG1-CG2 3.81Å
652	G	87.7	Confident	69.6	Low	30 Å²	30	76.3 Å²	76.3	31%	0.309	46%	0.46	S	S	.	.	E	Extended strand (participates in β ladder)	trans	140.4	-164.7	-180	0	0	0	0	0	113	V971	G652-V971 PolarHBondContact N-O 3.35Å; G652-V971 VanDerWaalsContact N-O 3.1Å; G652-V971 PolarHBondContact O-N 2.56Å
653	E	89.8	Confident	72.7	Confident	61 Å²	61	71.5 Å²	71.5	29%	0.285	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	145.5	-175.2	-170.7	177.4	156.4	0	0	111	S945 S968 V969	E653-S945 WeakPolarHBondContact OE2-CB 3.42Å; E653-S945 PolarHBondContact OE2-OG 3.27Å; E653-S968 VanDerWaalsContact OE1-CB 3.27Å; E653-S968 WeakPolarHBondContact OE1-CB 3.25Å; E653-S968 PolarHBondContact OE1-OG 2.9Å; E653-V969 WeakPolarHBondContact CA-O 3.32Å
654	F	92.2	Very high	75.7	Confident	26 Å²	26	63.1 Å²	63.1	11%	0.114	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	153.3	173	66.4	-84.6	0	0	0	111	I678 C688 H693 V969 V971	F654-I678 HydrophobicContact CE2-CD1 4.06Å; F654-I678 HydrophobicContact CZ-CD1 4.05Å; F654-C688 HydrophobicContact CE2-CB 4.06Å; F654-C688 HydrophobicContact CZ-CB 4.18Å; F654-H693 HydrophobicContact CB-CB 3.99Å; F654-H693 HydrophobicContact CD1-CB 3.63Å; F654-H693 AromaticContact CD1-CD2 3.72Å; F654-H693 AromaticContact CD1-CG 3.52Å; F654-H693 AromaticContact CD1-ND1 3.98Å; F654-H693 HydrophobicContact CE1-CB 4.22Å; F654-H693 AromaticContact CE1-CD2 3.77Å; F654-H693 HydrophobicContact CG-CB 3.82Å; F654-V969 HydrophobicContact CD1-CB 4.32Å; F654-V969 HydrophobicContact CD1-CG1 4.49Å; F654-V969 HydrophobicContact CD2-CB 4.45Å; F654-V969 HydrophobicContact CE1-CB 3.94Å; F654-V969 HydrophobicContact CE1-CG1 3.71Å; F654-V969 HydrophobicContact CE2-CB 4.07Å; F654-V969 HydrophobicContact CE2-CG1 4.37Å; F654-V969 HydrophobicContact CE2-CG2 4.43Å; F654-V969 HydrophobicContact CZ-CB 3.8Å; F654-V969 HydrophobicContact CZ-CG1 3.63Å; F654-V969 HydrophobicContact CZ-CG2 4.45Å; F654-V969 PolarHBondContact N-O 3Å; F654-V969 PolarHBondContact O-N 3.45Å; F654-V971 HydrophobicContact CE1-CG2 3.89Å
655	H	90.9	Very high	79	Confident	88 Å²	88	60.1 Å²	60.1	41%	0.407	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	120	170.7	-73.4	-66.5	0	0	0	110.9	F657 G658 G967 S968	H655-F657 VanDerWaalsContact C-N 3.28Å; H655-F657 PolarHBondContact O-N 3.06Å; H655-G658 PolarHBondContact O-N 2.96Å; H655-G967 WeakPolarHBondContact CA-O 3.1Å; H655-S968 PolarHBondContact CE1-OG 3.18Å; H655-S968 PolarHBondContact ND1-N 2.63Å; H655-S968 PolarHBondContact ND1-OG 3.41Å
656	A	86.8	Confident	81.9	Confident	5 Å²	5	54.3 Å²	54.3	4%	0.041	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59	-39.7	178.9	0	0	0	0	0	112.3	G658 I678 V686 G967 V969	A656-G658 PolarHBondContact O-N 2.75Å; A656-I678 HydrophobicContact CB-CB 4.31Å; A656-I678 HydrophobicContact CB-CD1 4.19Å; A656-I678 HydrophobicContact CB-CG2 3.69Å; A656-V686 HydrophobicContact CB-CG2 3.87Å; A656-G967 PolarHBondContact N-O 3Å; A656-G967 VanDerWaalsContact N-O 3.1Å; A656-V969 HydrophobicContact CB-CG2 3.94Å
657	F	87.3	Confident	84.6	Confident	9 Å²	9	46.8 Å²	46.8	4%	0.039	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98	26.8	-173.2	-50.2	-69.8	0	0	0	113.4	H655 G659 C660 T662 V664 I678 V686	H655-F657 VanDerWaalsContact C-N 3.28Å; H655-F657 PolarHBondContact O-N 3.06Å; F657-G659 PolarHBondContact O-N 3.34Å; F657-C660 HydrophobicContact CB-CB 4.06Å; F657-C660 WeakPolarHBondContact O-CB 3.4Å; F657-C660 PolarHBondContact O-N 3.29Å; F657-C660 PolarHBondContact O-SG 3.02Å; F657-T662 WeakPolarHBondContact CB-OG1 3.48Å; F657-T662 WeakPolarHBondContact CD2-O 3.33Å; F657-T662 VanDerWaalsContact CD2-OG1 3.22Å; F657-T662 WeakPolarHBondContact CD2-OG1 3.42Å; F657-T662 VanDerWaalsContact CE2-O 3.29Å; F657-T662 WeakPolarHBondContact CE2-O 3.24Å; F657-T662 VanDerWaalsContact CG-OG1 3.31Å; F657-T662 WeakPolarHBondContact CG-OG1 3.3Å; F657-V664 HydrophobicContact CE2-CG2 4.04Å; F657-I678 HydrophobicContact CZ-CG2 4.16Å; F657-V686 HydrophobicContact CD1-CG1 3.91Å; F657-V686 HydrophobicContact CE1-CG1 4.02Å; F657-V686 HydrophobicContact CE1-CG2 4.27Å
658	G	74.8	Confident	86.7	Confident	74 Å²	74	45.9 Å²	45.9	76%	0.763	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	69	29.3	174.1	0	0	0	0	0	114.6	H655 A656	H655-G658 PolarHBondContact O-N 2.96Å; A656-G658 PolarHBondContact O-N 2.75Å
659	G	70.6	Confident	87.9	Confident	50 Å²	50	40.8 Å²	40.8	52%	0.515	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	90.6	-1.1	-176.4	0	0	0	0	0	114.9	F657	F657-G659 PolarHBondContact O-N 3.34Å
660	C	72.7	Confident	88.2	Confident	71 Å²	71	40.1 Å²	40.1	48%	0.48	26%	0.259	S	S	.	.			trans	-68	130.2	167.9	-65.6	0	0	0	0	110.6	F657 T662	F657-C660 HydrophobicContact CB-CB 4.06Å; F657-C660 WeakPolarHBondContact O-CB 3.4Å; F657-C660 PolarHBondContact O-N 3.29Å; F657-C660 PolarHBondContact O-SG 3.02Å; C660-T662 HydrophobicContact CB-CG2 4.44Å; C660-T662 PolarHBondContact O-N 3.34Å
661	A	77.6	Confident	87.9	Confident	92 Å²	92	39.8 Å²	39.8	76%	0.76	27%	0.266	S	S	*	.			trans	-75	57.3	177.2	0	0	0	0	0	112.4	D966	A661-D966 WeakPolarHBondContact CA-O 3.35Å
662	T	88.7	Confident	87.7	Confident	32 Å²	32	41 Å²	41	20%	0.196	27%	0.273	C	S	.	.			trans	-113.2	119.3	-179.8	48.1	0	0	0	0	109.7	F657 C660 V664 N682 G967	F657-T662 WeakPolarHBondContact CB-OG1 3.48Å; F657-T662 WeakPolarHBondContact CD2-O 3.33Å; F657-T662 VanDerWaalsContact CD2-OG1 3.22Å; F657-T662 WeakPolarHBondContact CD2-OG1 3.42Å; F657-T662 VanDerWaalsContact CE2-O 3.29Å; F657-T662 WeakPolarHBondContact CE2-O 3.24Å; F657-T662 VanDerWaalsContact CG-OG1 3.31Å; F657-T662 WeakPolarHBondContact CG-OG1 3.3Å; C660-T662 HydrophobicContact CB-CG2 4.44Å; C660-T662 PolarHBondContact O-N 3.34Å; T662-V664 PolarHBondContact O-N 2.93Å; T662-N682 HydrophobicContact CG2-CB 4.11Å; T662-N682 PolarHBondContact OG1-ND2 3.41Å; T662-G967 WeakPolarHBondContact O-CA 3.48Å; T662-G967 PolarHBondContact O-N 3.38Å
663	A	92.4	Very high	87.7	Confident	1 Å²	1	42.6 Å²	42.6	1%	0.008	28%	0.276	C	S	.	.			trans	-52.5	136.5	-175	0	0	0	0	0	113.2	I665 G680 Q681 L965	A663-I665 HydrophobicContact CB-CD1 4.03Å; A663-G680 CarbonylContact O-C 3.57Å; A663-G680 WeakPolarHBondContact O-CA 3.39Å; A663-Q681 HydrophobicContact CB-CB 4.19Å; A663-Q681 PolarHBondContact O-N 3.25Å; A663-L965 VanDerWaalsContact CA-O 3.24Å; A663-L965 WeakPolarHBondContact CA-O 3.33Å; A663-L965 HydrophobicContact CB-CD1 3.91Å; A663-L965 VanDerWaalsContact CB-O 3.27Å; A663-L965 WeakPolarHBondContact CB-O 3.43Å; A663-L965 PolarHBondContact N-O 3.22Å
664	V	94.9	Very high	87.7	Confident	0 Å²	0	41 Å²	41	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	127	159	-175.4	0	0	0	0	107.3	F657 T662 M667 I678 T951 S952 S964 V969	F657-V664 HydrophobicContact CE2-CG2 4.04Å; T662-V664 PolarHBondContact O-N 2.93Å; V664-M667 HydrophobicContact CG1-CG 3.7Å; V664-M667 HydrophobicContact CG1-SD 4.17Å; V664-I678 HydrophobicContact CB-CG2 4.33Å; V664-I678 HydrophobicContact CG1-CG2 3.59Å; V664-I678 HydrophobicContact CG2-CG2 3.85Å; V664-T951 WeakPolarHBondContact O-CB 3.42Å; V664-T951 PolarHBondContact O-OG1 3.26Å; V664-S952 VanDerWaalsContact CG1-OG 3.29Å; V664-S952 WeakPolarHBondContact CG1-OG 3.49Å; V664-S964 PolarHBondContact N-O 3.42Å; V664-V969 HydrophobicContact CG2-CG2 3.93Å
665	I	95	Very high	87.7	Confident	25 Å²	25	40.3 Å²	40.3	13%	0.128	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	-39.7	177.9	-57.4	-61.2	0	0	0	111.5	A663 G679 Q681 I706	A663-I665 HydrophobicContact CB-CD1 4.03Å; I665-G679 PolarHBondContact N-O 2.82Å; I665-Q681 HydrophobicContact CD1-CB 4.07Å; I665-Q681 HydrophobicContact CG1-CB 4.03Å; I665-I706 VanDerWaalsContact CG2-O 3.28Å; I665-I706 WeakPolarHBondContact CG2-O 2.95Å
666	D	95.1	Very high	87.9	Confident	23 Å²	23	36.1 Å²	36.1	12%	0.123	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	160.4	177.7	-151.9	11.6	0	0	0	111.5	G679 K708 L709	D666-G679 PolarHBondContact O-N 2.98Å; D666-K708 IonicContact OD1-NZ 2.78Å; D666-K708 VanDerWaalsContact OD2-CA 3.28Å; D666-K708 WeakPolarHBondContact OD2-CA 3.34Å; D666-K708 WeakPolarHBondContact OD2-CD 3.36Å; D666-K708 IonicContact OD2-NZ 2.74Å; D666-L709 HydrophobicContact CB-CB 4.46Å; D666-L709 HydrophobicContact CB-CG 4.36Å; D666-L709 PolarHBondContact OD2-N 2.87Å
667	M	96	Very high	88.3	Confident	13 Å²	13	36.5 Å²	36.5	6%	0.064	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	131.8	-179.6	-63.4	-172.7	-63.6	0	0	111.5	V664 Y677 I678 A954 I961 V969	V664-M667 HydrophobicContact CG1-CG 3.7Å; V664-M667 HydrophobicContact CG1-SD 4.17Å; M667-Y677 WeakPolarHBondContact CA-O 3.31Å; M667-I678 HydrophobicContact CG-CB 4.47Å; M667-I678 HydrophobicContact CG-CG1 4.16Å; M667-I678 HydrophobicContact CG-CG2 4.2Å; M667-I678 HydrophobicContact SD-CG1 4.19Å; M667-I678 HydrophobicContact SD-CG2 4.5Å; M667-A954 HydrophobicContact CB-CB 4.35Å; M667-A954 HydrophobicContact CE-CB 4.42Å; M667-I961 HydrophobicContact CE-CB 4.38Å; M667-I961 HydrophobicContact CE-CG2 3.89Å; M667-I961 WeakPolarHBondContact CE-O 3.46Å; M667-I961 HydrophobicContact SD-CG2 3.87Å; M667-V969 HydrophobicContact SD-CG1 4.41Å
668	A	95.1	Very high	88.7	Confident	11 Å²	11	36.1 Å²	36.1	9%	0.091	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	139.5	168.9	0	0	0	0	0	109.4	Y677 L709 L711 I718	A668-Y677 PolarHBondContact N-O 2.8Å; A668-Y677 PolarHBondContact O-N 2.86Å; A668-L709 HydrophobicContact CB-CB 4.12Å; A668-L711 HydrophobicContact CB-CG 4.09Å; A668-I718 HydrophobicContact CB-CD1 4.4Å
669	I	94.2	Very high	89.7	Confident	25 Å²	25	32.6 Å²	32.6	13%	0.128	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	130	-176.9	-47.1	178.9	0	0	0	109.4	P671 V675 A676 L690 A954 V956 I961	I669-P671 WeakPolarHBondContact O-CD 3.49Å; I669-V675 WeakPolarHBondContact CA-O 3.2Å; I669-V675 WeakPolarHBondContact CG2-O 3.34Å; I669-A676 HydrophobicContact CG1-CB 4.09Å; I669-A676 HydrophobicContact CG2-CB 4.41Å; I669-L690 HydrophobicContact CG2-CD1 3.9Å; I669-A954 HydrophobicContact CD1-CB 3.58Å; I669-A954 HydrophobicContact CG1-CB 3.99Å; I669-V956 HydrophobicContact CB-CG2 4.15Å; I669-V956 HydrophobicContact CD1-CG2 4.22Å; I669-V956 HydrophobicContact CG2-CG2 3.5Å; I669-V956 VanDerWaalsContact CG2-CG2 3.5Å; I669-I961 HydrophobicContact CD1-CB 4.05Å; I669-I961 HydrophobicContact CD1-CD1 3.5Å; I669-I961 VanDerWaalsContact CD1-CD1 3.5Å; I669-I961 HydrophobicContact CD1-CG1 3.74Å
670	N	91.8	Very high	90.8	Very high	11 Å²	11	30.2 Å²	30.2	6%	0.059	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	112.3	169.6	-179.6	-41.5	0	0	0	108.3	I672 T673 N674 V675 L711 G715	N670-I672 VanDerWaalsContact C-N 3.25Å; N670-I672 PolarHBondContact O-N 2.99Å; N670-I672 WeakPolarHBondContact OD1-CB 3.36Å; N670-I672 PolarHBondContact OD1-N 2.8Å; N670-T673 WeakPolarHBondContact CB-OG1 3.15Å; N670-T673 PolarHBondContact OD1-N 2.67Å; N670-T673 PolarHBondContact OD1-OG1 2.72Å; N670-N674 WeakPolarHBondContact O-CA 3.16Å; N670-N674 PolarHBondContact O-N 2.77Å; N670-V675 PolarHBondContact N-O 3.26Å; N670-L711 HydrophobicContact CB-CD1 3.89Å; N670-G715 PolarHBondContact ND2-O 3.49Å
671	P	83.2	Confident	91.8	Very high	84 Å²	84	30.5 Å²	30.5	55%	0.545	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-16	-173.9	31.3	-36	0	0	0	113.2	I669 V956	I669-P671 WeakPolarHBondContact O-CD 3.49Å; P671-V956 HydrophobicContact CB-CG1 4.35Å
672	I	85.5	Confident	92.4	Very high	130 Å²	130	29 Å²	29	67%	0.667	16%	0.16	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.3	-52.2	179.3	-54.4	175.4	0	0	0	109.2	N670 N674	N670-I672 VanDerWaalsContact C-N 3.25Å; N670-I672 PolarHBondContact O-N 2.99Å; N670-I672 WeakPolarHBondContact OD1-CB 3.36Å; N670-I672 PolarHBondContact OD1-N 2.8Å; I672-N674 PolarHBondContact O-ND2 3.05Å
673	T	87.2	Confident	92.6	Very high	63 Å²	63	27.5 Å²	27.5	39%	0.387	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.6	-26.8	-179.1	61.7	0	0	0	0	112.7	N670 V675 K691	N670-T673 WeakPolarHBondContact CB-OG1 3.15Å; N670-T673 PolarHBondContact OD1-N 2.67Å; N670-T673 PolarHBondContact OD1-OG1 2.72Å; T673-V675 WeakPolarHBondContact OG1-CB 3.34Å; T673-V675 WeakPolarHBondContact OG1-CG2 3.37Å; T673-V675 PolarHBondContact OG1-N 3.22Å; T673-K691 PolarHBondContact O-NZ 3.46Å
674	N	88.8	Confident	92.6	Very high	27 Å²	27	28.6 Å²	28.6	14%	0.144	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	67.1	33.9	-167.9	-56.4	-109.7	0	0	0	112.6	N670 I672 L690	N670-N674 WeakPolarHBondContact O-CA 3.16Å; N670-N674 PolarHBondContact O-N 2.77Å; I672-N674 PolarHBondContact O-ND2 3.05Å; N674-L690 VanDerWaalsContact O-CB 3.3Å; N674-L690 WeakPolarHBondContact O-CB 3.39Å; N674-L690 WeakPolarHBondContact O-CG 3.33Å; N674-L690 PolarHBondContact O-N 3.35Å; N674-L690 VanDerWaalsContact O-N 3.15Å
675	V	92.4	Very high	92.6	Very high	13 Å²	13	28.7 Å²	28.7	8%	0.079	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	132.7	175.5	173.9	0	0	0	0	110	I669 N670 T673 Y677 E687 C688 I696	I669-V675 WeakPolarHBondContact CA-O 3.2Å; I669-V675 WeakPolarHBondContact CG2-O 3.34Å; N670-V675 PolarHBondContact N-O 3.26Å; T673-V675 WeakPolarHBondContact OG1-CB 3.34Å; T673-V675 WeakPolarHBondContact OG1-CG2 3.37Å; T673-V675 PolarHBondContact OG1-N 3.22Å; V675-Y677 HydrophobicContact CG1-CE1 4.39Å; V675-Y677 HydrophobicContact CG1-CE2 4.16Å; V675-E687 HydrophobicContact CG1-CG 3.32Å; V675-C688 WeakPolarHBondContact CA-O 3.27Å; V675-I696 HydrophobicContact CG1-CD1 4.28Å; V675-I696 HydrophobicContact CG2-CD1 3.91Å
676	A	95	Very high	92.6	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	132.3	174.2	0	0	0	0	0	111.1	I669 I678 C688 L690	I669-A676 HydrophobicContact CG1-CB 4.09Å; I669-A676 HydrophobicContact CG2-CB 4.41Å; A676-I678 HydrophobicContact CB-CD1 4.3Å; A676-I678 HydrophobicContact CB-CG1 4.24Å; A676-C688 PolarHBondContact N-O 2.78Å; A676-C688 PolarHBondContact O-N 3.35Å; A676-L690 HydrophobicContact CB-CD1 4.34Å; A676-L690 HydrophobicContact CB-CD2 3.9Å; A676-L690 HydrophobicContact CB-CG 4.15Å
677	Y	95.6	Very high	92.6	Very high	13 Å²	13	27.9 Å²	27.9	5%	0.051	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	117.4	171	-60.7	-80.7	0	0	0	108.6	M667 A668 V675 V686 E687 L711 I718 L732	M667-Y677 WeakPolarHBondContact CA-O 3.31Å; A668-Y677 PolarHBondContact N-O 2.8Å; A668-Y677 PolarHBondContact O-N 2.86Å; V675-Y677 HydrophobicContact CG1-CE1 4.39Å; V675-Y677 HydrophobicContact CG1-CE2 4.16Å; Y677-V686 WeakPolarHBondContact CA-O 3.44Å; Y677-E687 HydrophobicContact CD1-CB 4.16Å; Y677-E687 HydrophobicContact CD1-CG 4.18Å; Y677-E687 HydrophobicContact CE1-CB 3.97Å; Y677-E687 HydrophobicContact CE1-CG 3.61Å; Y677-L711 HydrophobicContact CD2-CD2 3.94Å; Y677-L711 HydrophobicContact CE2-CD2 3.97Å; Y677-I718 HydrophobicContact CD1-CD1 4.41Å; Y677-I718 HydrophobicContact CD2-CD1 4.35Å; Y677-I718 HydrophobicContact CG-CD1 3.85Å; Y677-L732 HydrophobicContact CD1-CD2 4.16Å; Y677-L732 HydrophobicContact CE1-CD2 3.49Å; Y677-L732 VanDerWaalsContact CE1-CD2 3.49Å; Y677-L732 HydrophobicContact CE2-CD1 3.97Å; Y677-L732 HydrophobicContact CE2-CD2 4.35Å
678	I	96.2	Very high	92.5	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	114.8	-167.3	-58.9	154.1	0	0	0	108.3	F654 A656 F657 V664 M667 A676 I685 V686 C688 V969	F654-I678 HydrophobicContact CE2-CD1 4.06Å; F654-I678 HydrophobicContact CZ-CD1 4.05Å; A656-I678 HydrophobicContact CB-CB 4.31Å; A656-I678 HydrophobicContact CB-CD1 4.19Å; A656-I678 HydrophobicContact CB-CG2 3.69Å; F657-I678 HydrophobicContact CZ-CG2 4.16Å; V664-I678 HydrophobicContact CB-CG2 4.33Å; V664-I678 HydrophobicContact CG1-CG2 3.59Å; V664-I678 HydrophobicContact CG2-CG2 3.85Å; M667-I678 HydrophobicContact CG-CB 4.47Å; M667-I678 HydrophobicContact CG-CG1 4.16Å; M667-I678 HydrophobicContact CG-CG2 4.2Å; M667-I678 HydrophobicContact SD-CG1 4.19Å; M667-I678 HydrophobicContact SD-CG2 4.5Å; A676-I678 HydrophobicContact CB-CD1 4.3Å; A676-I678 HydrophobicContact CB-CG1 4.24Å; I678-I685 WeakPolarHBondContact O-CA 3.35Å; I678-V686 HydrophobicContact CB-CG2 3.82Å; I678-V686 HydrophobicContact CD1-CG2 4.32Å; I678-V686 HydrophobicContact CG2-CG2 4.48Å; I678-V686 PolarHBondContact N-O 3.37Å; I678-V686 PolarHBondContact O-N 2.85Å; I678-C688 HydrophobicContact CD1-CB 3.94Å; I678-V969 HydrophobicContact CD1-CG2 4.17Å; I678-V969 HydrophobicContact CG2-CG2 4.26Å
679	G	95.6	Very high	92.4	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	125.3	-175.1	0	0	0	0	0	112.4	I665 D666	I665-G679 PolarHBondContact N-O 2.82Å; D666-G679 PolarHBondContact O-N 2.98Å
680	G	93.9	Very high	92.3	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	158.9	-178.3	0	0	0	0	0	115	A663 N682 G683 T684	A663-G680 CarbonylContact O-C 3.57Å; A663-G680 WeakPolarHBondContact O-CA 3.39Å; G680-N682 PolarHBondContact O-N 3.17Å; G680-G683 PolarHBondContact O-N 3.12Å; G680-T684 PolarHBondContact N-O 3.35Å
681	Q	93.3	Very high	92.3	Very high	78 Å²	78	30.3 Å²	30.3	36%	0.364	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-22.1	169.2	-171.4	179.5	-4.6	0	0	112.9	A663 I665 G683 S705	A663-Q681 HydrophobicContact CB-CB 4.19Å; A663-Q681 PolarHBondContact O-N 3.25Å; I665-Q681 HydrophobicContact CD1-CB 4.07Å; I665-Q681 HydrophobicContact CG1-CB 4.03Å; Q681-G683 PolarHBondContact O-N 3.31Å; Q681-S705 WeakPolarHBondContact CA-OG 3.37Å; Q681-S705 VanDerWaalsContact O-CA 3.26Å; Q681-S705 WeakPolarHBondContact O-CA 3.47Å; Q681-S705 WeakPolarHBondContact O-CB 3.01Å
682	N	90.6	Very high	92.6	Very high	61 Å²	61	29.2 Å²	29.2	33%	0.326	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83	13.6	174.1	63.5	3.7	0	0	0	113.9	T662 G680 T684	T662-N682 HydrophobicContact CG2-CB 4.11Å; T662-N682 PolarHBondContact OG1-ND2 3.41Å; G680-N682 PolarHBondContact O-N 3.17Å; N682-T684 PolarHBondContact O-N 3Å; N682-T684 VanDerWaalsContact OD1-CB 3.3Å; N682-T684 WeakPolarHBondContact OD1-CB 3.37Å; N682-T684 PolarHBondContact OD1-N 2.69Å; N682-T684 VanDerWaalsContact OD1-N 3.12Å; N682-T684 PolarHBondContact OD1-OG1 3Å
683	G	92.1	Very high	92.9	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	13%	0.125	C	C	.	.	S	Bend	trans	64.3	11.4	179.2	0	0	0	0	0	115.7	G680 Q681 R702 A704	G680-G683 PolarHBondContact O-N 3.12Å; Q681-G683 PolarHBondContact O-N 3.31Å; G683-R702 WeakPolarHBondContact CA-O 3.38Å; G683-R702 PolarHBondContact O-N 3.05Å; G683-R702 VanDerWaalsContact O-N 3.12Å; G683-A704 WeakPolarHBondContact CA-O 3.49Å
684	T	93.6	Very high	93	Very high	23 Å²	23	27 Å²	27	14%	0.141	14%	0.135	C	C	.	.			trans	-90.4	136.8	174.9	-57.4	0	0	0	0	109.8	G680 N682 V686 K698	G680-T684 PolarHBondContact N-O 3.35Å; N682-T684 PolarHBondContact O-N 3Å; N682-T684 VanDerWaalsContact OD1-CB 3.3Å; N682-T684 WeakPolarHBondContact OD1-CB 3.37Å; N682-T684 PolarHBondContact OD1-N 2.69Å; N682-T684 VanDerWaalsContact OD1-N 3.12Å; N682-T684 PolarHBondContact OD1-OG1 3Å; T684-V686 HydrophobicContact CG2-CG1 4.04Å; T684-K698 HydrophobicContact CG2-CD 4.19Å
685	I	95.4	Very high	93	Very high	2 Å²	2	28.5 Å²	28.5	1%	0.01	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	125.3	166	-53.3	168.4	0	0	0	107.4	I678 K698 L699 I706 L709 V720	I678-I685 WeakPolarHBondContact O-CA 3.35Å; I685-K698 WeakPolarHBondContact O-CA 3.28Å; I685-L699 HydrophobicContact CB-CB 4.23Å; I685-L699 HydrophobicContact CB-CD1 4.2Å; I685-L699 HydrophobicContact CB-CG 4.46Å; I685-L699 HydrophobicContact CD1-CD1 3.98Å; I685-L699 HydrophobicContact CG2-CD1 4.12Å; I685-L699 PolarHBondContact O-N 2.86Å; I685-L699 VanDerWaalsContact O-N 3.08Å; I685-I706 HydrophobicContact CD1-CD1 4.33Å; I685-I706 HydrophobicContact CG1-CD1 3.51Å; I685-L709 HydrophobicContact CD1-CD2 3.84Å; I685-L709 HydrophobicContact CG1-CD2 4.31Å; I685-V720 HydrophobicContact CD1-CB 4.37Å; I685-V720 HydrophobicContact CD1-CG1 4.01Å; I685-V720 HydrophobicContact CD1-CG2 3.44Å; I685-V720 VanDerWaalsContact CD1-CG2 3.44Å
686	V	94.6	Very high	92.9	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	139.9	171.7	-55.9	0	0	0	0	110	A656 F657 Y677 I678 T684 K698	A656-V686 HydrophobicContact CB-CG2 3.87Å; F657-V686 HydrophobicContact CD1-CG1 3.91Å; F657-V686 HydrophobicContact CE1-CG1 4.02Å; F657-V686 HydrophobicContact CE1-CG2 4.27Å; Y677-V686 WeakPolarHBondContact CA-O 3.44Å; I678-V686 HydrophobicContact CB-CG2 3.82Å; I678-V686 HydrophobicContact CD1-CG2 4.32Å; I678-V686 HydrophobicContact CG2-CG2 4.48Å; I678-V686 PolarHBondContact N-O 3.37Å; I678-V686 PolarHBondContact O-N 2.85Å; T684-V686 HydrophobicContact CG2-CG1 4.04Å; V686-K698 HydrophobicContact CG1-CD 4.03Å; V686-K698 HydrophobicContact CG1-CG 4.03Å
687	E	94.7	Very high	92.6	Very high	32 Å²	32	33.9 Å²	33.9	15%	0.15	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	124.8	170	-176	-168	178.7	0	0	108.1	V675 Y677 C695 I696 S697	V675-E687 HydrophobicContact CG1-CG 3.32Å; Y677-E687 HydrophobicContact CD1-CB 4.16Å; Y677-E687 HydrophobicContact CD1-CG 4.18Å; Y677-E687 HydrophobicContact CE1-CB 3.97Å; Y677-E687 HydrophobicContact CE1-CG 3.61Å; E687-C695 CarbonylContact O-C 3.59Å; E687-C695 VanDerWaalsContact O-CA 3.28Å; E687-C695 WeakPolarHBondContact O-CA 3.35Å; E687-I696 HydrophobicContact CB-CB 4.4Å; E687-I696 HydrophobicContact CG-CB 4.07Å; E687-I696 HydrophobicContact CG-CD1 4.04Å; E687-I696 HydrophobicContact CG-CG1 4.45Å; E687-I696 PolarHBondContact O-N 2.85Å; E687-I696 WeakPolarHBondContact OE1-CD1 3.41Å; E687-S697 WeakPolarHBondContact CB-OG 3.47Å; E687-S697 PolarHBondContact N-O 2.98Å; E687-S697 VanDerWaalsContact OE2-CB 3.24Å; E687-S697 WeakPolarHBondContact OE2-CB 3.4Å; E687-S697 PolarHBondContact OE2-OG 3.19Å
688	C	93.8	Very high	92.4	Very high	1 Å²	1	39 Å²	39	1%	0.007	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	130.4	-177.8	-67.9	0	0	0	0	112.1	F654 V675 A676 I678 H694	F654-C688 HydrophobicContact CE2-CB 4.06Å; F654-C688 HydrophobicContact CZ-CB 4.18Å; V675-C688 WeakPolarHBondContact CA-O 3.27Å; A676-C688 PolarHBondContact N-O 2.78Å; A676-C688 PolarHBondContact O-N 3.35Å; I678-C688 HydrophobicContact CD1-CB 3.94Å; C688-H694 WeakPolarHBondContact CA-O 3.48Å
689	D	92.6	Very high	92.1	Very high	25 Å²	25	39.1 Å²	39.1	13%	0.134	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	122.3	170.7	166.1	40.7	0	0	0	110.6	K691 T692 H693 H694 I696	D689-K691 PolarHBondContact O-N 3.09Å; D689-K691 WeakPolarHBondContact OD1-CB 3.38Å; D689-K691 PolarHBondContact OD1-N 3.16Å; D689-K691 WeakPolarHBondContact OD2-CB 3.28Å; D689-T692 PolarHBondContact O-N 2.66Å; D689-T692 VanDerWaalsContact OD2-CB 3.25Å; D689-T692 WeakPolarHBondContact OD2-CB 3.37Å; D689-T692 WeakPolarHBondContact OD2-CG2 3.23Å; D689-T692 PolarHBondContact OD2-N 2.83Å; D689-T692 PolarHBondContact OD2-OG1 3.02Å; D689-H693 VanDerWaalsContact O-CA 3.29Å; D689-H693 WeakPolarHBondContact O-CA 3.49Å; D689-H693 PolarHBondContact O-N 3.04Å; D689-H694 PolarHBondContact N-O 2.85Å; D689-I696 HydrophobicContact CB-CD1 3.94Å; D689-I696 HydrophobicContact CB-CG1 4.15Å
690	L	92.6	Very high	91.7	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-14	178.7	-62.2	175.3	0	0	0	113.2	I649 K650 I669 N674 A676 I961 V971	I649-L690 HydrophobicContact CG1-CB 4.36Å; I649-L690 HydrophobicContact CG2-CB 3.95Å; K650-L690 PolarHBondContact N-O 3.03Å; I669-L690 HydrophobicContact CG2-CD1 3.9Å; N674-L690 VanDerWaalsContact O-CB 3.3Å; N674-L690 WeakPolarHBondContact O-CB 3.39Å; N674-L690 WeakPolarHBondContact O-CG 3.33Å; N674-L690 PolarHBondContact O-N 3.35Å; N674-L690 VanDerWaalsContact O-N 3.15Å; A676-L690 HydrophobicContact CB-CD1 4.34Å; A676-L690 HydrophobicContact CB-CD2 3.9Å; A676-L690 HydrophobicContact CB-CG 4.15Å; L690-I961 HydrophobicContact CD1-CD1 4.32Å; L690-I961 HydrophobicContact CD1-CG1 4.27Å; L690-I961 HydrophobicContact CD2-CG1 4.2Å; L690-V971 HydrophobicContact CD2-CG2 4.14Å
691	K	90.9	Very high	91.3	Very high	84 Å²	84	46.4 Å²	46.4	37%	0.365	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-29.6	176.8	-60.8	155.8	-177.5	147.1	0	112.8	K650 T673 D689	K650-K691 VanDerWaalsContact CB-O 3.3Å; K650-K691 WeakPolarHBondContact CB-O 3.4Å; T673-K691 PolarHBondContact O-NZ 3.46Å; D689-K691 PolarHBondContact O-N 3.09Å; D689-K691 WeakPolarHBondContact OD1-CB 3.38Å; D689-K691 PolarHBondContact OD1-N 3.16Å; D689-K691 WeakPolarHBondContact OD2-CB 3.28Å
692	T	90.3	Very high	91.1	Very high	61 Å²	61	46.1 Å²	46.1	37%	0.374	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-112.6	-21	-179.6	59	0	0	0	0	114	K650 D689 H694	K650-T692 PolarHBondContact NZ-O 2.72Å; D689-T692 PolarHBondContact O-N 2.66Å; D689-T692 VanDerWaalsContact OD2-CB 3.25Å; D689-T692 WeakPolarHBondContact OD2-CB 3.37Å; D689-T692 WeakPolarHBondContact OD2-CG2 3.23Å; D689-T692 PolarHBondContact OD2-N 2.83Å; D689-T692 PolarHBondContact OD2-OG1 3.02Å; T692-H694 PolarHBondContact O-ND1 2.9Å; T692-H694 PolarHBondContact OG1-N 2.91Å
693	H	91.2	Very high	91.1	Very high	18 Å²	18	51.6 Å²	51.6	8%	0.083	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	60.4	26.8	-164.4	-53.4	158	0	0	0	114.4	K650 F654 D689	K650-H693 HydrophobicContact CD-CB 4.47Å; K650-H693 WeakPolarHBondContact CD-ND1 3.29Å; K650-H693 WeakPolarHBondContact CE-ND1 3.33Å; K650-H693 VanDerWaalsContact CG-CE1 3.49Å; K650-H693 WeakPolarHBondContact CG-CE1 3.5Å; K650-H693 PolarHBondContact NZ-ND1 2.92Å; K650-H693 PolarHBondContact O-CE1 2.88Å; K650-H693 VanDerWaalsContact O-CE1 3.31Å; K650-H693 PolarHBondContact O-NE2 3.12Å; F654-H693 HydrophobicContact CB-CB 3.99Å; F654-H693 HydrophobicContact CD1-CB 3.63Å; F654-H693 AromaticContact CD1-CD2 3.72Å; F654-H693 AromaticContact CD1-CG 3.52Å; F654-H693 AromaticContact CD1-ND1 3.98Å; F654-H693 HydrophobicContact CE1-CB 4.22Å; F654-H693 AromaticContact CE1-CD2 3.77Å; F654-H693 HydrophobicContact CG-CB 3.82Å; D689-H693 VanDerWaalsContact O-CA 3.29Å; D689-H693 WeakPolarHBondContact O-CA 3.49Å; D689-H693 PolarHBondContact O-N 3.04Å
694	H	89.5	Confident	91.1	Very high	129 Å²	129	52.3 Å²	52.3	60%	0.597	28%	0.277	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.1	141.7	174.6	-70.2	58.9	0	0	0	110.6	C688 D689 T692 I696	C688-H694 WeakPolarHBondContact CA-O 3.48Å; D689-H694 PolarHBondContact N-O 2.85Å; T692-H694 PolarHBondContact O-ND1 2.9Å; T692-H694 PolarHBondContact OG1-N 2.91Å; H694-I696 PolarHBondContact O-N 3.24Å
695	C	90	Very high	91.1	Very high	59 Å²	59	52 Å²	52	40%	0.399	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	118.8	167.6	-173.9	0	0	0	0	108.5	E687 S697	E687-C695 CarbonylContact O-C 3.59Å; E687-C695 VanDerWaalsContact O-CA 3.28Å; E687-C695 WeakPolarHBondContact O-CA 3.35Å; C695-S697 PolarHBondContact SG-O 2.87Å
696	I	90.2	Very high	91.1	Very high	96 Å²	96	51.9 Å²	51.9	49%	0.492	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	-54.3	178.1	-54.7	173.9	0	0	0	109.1	V675 E687 D689 H694	V675-I696 HydrophobicContact CG1-CD1 4.28Å; V675-I696 HydrophobicContact CG2-CD1 3.91Å; E687-I696 HydrophobicContact CB-CB 4.4Å; E687-I696 HydrophobicContact CG-CB 4.07Å; E687-I696 HydrophobicContact CG-CD1 4.04Å; E687-I696 HydrophobicContact CG-CG1 4.45Å; E687-I696 PolarHBondContact O-N 2.85Å; E687-I696 WeakPolarHBondContact OE1-CD1 3.41Å; D689-I696 HydrophobicContact CB-CD1 3.94Å; D689-I696 HydrophobicContact CB-CG1 4.15Å; H694-I696 PolarHBondContact O-N 3.24Å
697	S	89	Confident	91.1	Very high	29 Å²	29	52.6 Å²	52.6	20%	0.203	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	176.4	-175.4	84.3	0	0	0	0	111.4	E687 C695	E687-S697 WeakPolarHBondContact CB-OG 3.47Å; E687-S697 PolarHBondContact N-O 2.98Å; E687-S697 VanDerWaalsContact OE2-CB 3.24Å; E687-S697 WeakPolarHBondContact OE2-CB 3.4Å; E687-S697 PolarHBondContact OE2-OG 3.19Å; C695-S697 PolarHBondContact SG-O 2.87Å
698	K	90.9	Very high	91.2	Very high	120 Å²	120	53.3 Å²	53.3	52%	0.522	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	132.4	167.9	-56.1	-168.1	177.7	-176.1	0	108.3	T684 I685 V686	T684-K698 HydrophobicContact CG2-CD 4.19Å; I685-K698 WeakPolarHBondContact O-CA 3.28Å; V686-K698 HydrophobicContact CG1-CD 4.03Å; V686-K698 HydrophobicContact CG1-CG 4.03Å
699	L	90.5	Very high	91.3	Very high	4 Å²	4	53.8 Å²	53.8	2%	0.021	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	156.4	171.4	-60.8	177.1	0	0	0	109.8	I685 P701 I718 Y730 L732	I685-L699 HydrophobicContact CB-CB 4.23Å; I685-L699 HydrophobicContact CB-CD1 4.2Å; I685-L699 HydrophobicContact CB-CG 4.46Å; I685-L699 HydrophobicContact CD1-CD1 3.98Å; I685-L699 HydrophobicContact CG2-CD1 4.12Å; I685-L699 PolarHBondContact O-N 2.86Å; I685-L699 VanDerWaalsContact O-N 3.08Å; L699-P701 WeakPolarHBondContact O-CD 3.32Å; L699-P701 VanDerWaalsContact O-N 3.1Å; L699-I718 HydrophobicContact CD1-CG2 3.56Å; L699-Y730 HydrophobicContact CB-CD1 4.43Å; L699-Y730 HydrophobicContact CD1-CG 4.27Å; L699-L732 HydrophobicContact CD1-CD2 4.49Å
700	P	86.3	Confident	91.4	Very high	61 Å²	61	53.2 Å²	53.2	40%	0.396	28%	0.283	S	S	.	.	P	Polyproline II helix	trans	-53	116.2	179.7	-27.8	35	0	0	0	111.9	Y730 S735	P700-Y730 HydrophobicContact CB-CE1 4.34Å; P700-Y730 HydrophobicContact CG-CE1 4.29Å; P700-S735 VanDerWaalsContact CD-O 3.29Å; P700-S735 WeakPolarHBondContact CD-O 3.45Å
701	P	85	Confident	91.4	Very high	92 Å²	92	54.3 Å²	54.3	60%	0.597	29%	0.289	S	S	*	.	P	Polyproline II helix	trans	-71.1	155.2	-174.8	29.9	-35.8	0	0	0	111.5	L699	L699-P701 WeakPolarHBondContact O-CD 3.32Å; L699-P701 VanDerWaalsContact O-N 3.1Å
702	R	89.8	Confident	91.5	Very high	72 Å²	72	50.9 Å²	50.9	27%	0.272	27%	0.274	S	S	.	.			trans	-117.6	146.4	173.8	-171.4	176.2	-175.4	72.1	8.5	110.2	G683 A704 Y722 D724	G683-R702 WeakPolarHBondContact CA-O 3.38Å; G683-R702 PolarHBondContact O-N 3.05Å; G683-R702 VanDerWaalsContact O-N 3.12Å; R702-A704 HydrophobicContact CG-CB 4.11Å; R702-A704 PolarHBondContact O-N 2.75Å; R702-Y722 HydrophobicContact CB-CD1 4.01Å; R702-Y722 HydrophobicContact CB-CE1 3.51Å; R702-Y722 HydrophobicContact CG-CD1 4.3Å; R702-Y722 HydrophobicContact CG-CE1 4.24Å; R702-D724 IonicContact CZ-OD2 3Å; R702-D724 IonicContact NE-OD1 3.11Å; R702-D724 PolarHBondContact NE-OD1 2.82Å; R702-D724 IonicContact NE-OD2 3.78Å; R702-D724 PolarHBondContact NE-OD2 3.42Å; R702-D724 IonicContact NH2-OD2 3.1Å; R702-D724 PolarHBondContact NH2-OD2 2.91Å
703	D	90.9	Very high	91.2	Very high	175 Å²	175	50.1 Å²	50.1	94%	0.936	27%	0.27	S	S	*	.	S	Bend	trans	-78	55.6	171	-165.3	23.4	0	0	0	111.6
704	A	92.2	Very high	91	Very high	15 Å²	15	53.2 Å²	53.2	12%	0.124	29%	0.288	C	S	.	.	S	Bend	trans	-160.9	137.3	177.5	0	0	0	0	0	109.7	G683 R702 I706 Y722 D724	G683-A704 WeakPolarHBondContact CA-O 3.49Å; R702-A704 HydrophobicContact CG-CB 4.11Å; R702-A704 PolarHBondContact O-N 2.75Å; A704-I706 PolarHBondContact O-N 3.28Å; A704-Y722 HydrophobicContact CB-CD1 4.35Å; A704-Y722 WeakPolarHBondContact O-CD1 3.28Å; A704-D724 HydrophobicContact CB-CB 4.03Å; A704-D724 WeakPolarHBondContact CB-OD1 3.41Å
705	S	93.6	Very high	90.9	Very high	16 Å²	16	47.8 Å²	47.8	11%	0.112	27%	0.267	C	S	.	.			trans	-59.2	137	174.8	-176.3	0	0	0	0	111.3	M157 Q681 Y722 Y723	M157-S705 VanDerWaalsContact CE-OG 3.31Å; M157-S705 WeakPolarHBondContact CE-OG 3.34Å; Q681-S705 WeakPolarHBondContact CA-OG 3.37Å; Q681-S705 VanDerWaalsContact O-CA 3.26Å; Q681-S705 WeakPolarHBondContact O-CA 3.47Å; Q681-S705 WeakPolarHBondContact O-CB 3.01Å; S705-Y722 CarbonylContact O-C 3.47Å; S705-Y722 WeakPolarHBondContact O-CA 3.28Å; S705-Y723 WeakPolarHBondContact O-CB 3.46Å; S705-Y723 PolarHBondContact O-N 3.21Å
706	I	95.4	Very high	90.9	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	146.2	169.3	-70.4	154.3	0	0	0	108.6	I665 I685 A704 L709 V720 Y722	I665-I706 VanDerWaalsContact CG2-O 3.28Å; I665-I706 WeakPolarHBondContact CG2-O 2.95Å; I685-I706 HydrophobicContact CD1-CD1 4.33Å; I685-I706 HydrophobicContact CG1-CD1 3.51Å; A704-I706 PolarHBondContact O-N 3.28Å; I706-L709 HydrophobicContact CG2-CD2 4.08Å; I706-L709 HydrophobicContact CG2-CG 4.1Å; I706-V720 HydrophobicContact CG1-CG1 3.99Å; I706-V720 HydrophobicContact CG2-CG1 4.27Å; I706-Y722 HydrophobicContact CD1-CE1 4.47Å; I706-Y722 HydrophobicContact CG1-CD1 3.88Å; I706-Y722 HydrophobicContact CG1-CE1 3.66Å
707	T	94.6	Very high	91.1	Very high	16 Å²	16	47.1 Å²	47.1	10%	0.098	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	-39.9	175	60.4	0	0	0	0	112.1	G721 Y723 R746 I747	T707-G721 PolarHBondContact N-O 2.89Å; T707-G721 VanDerWaalsContact OG1-C 3.24Å; T707-G721 PolarHBondContact OG1-O 3.42Å; T707-Y723 HydrophobicContact CG2-CD2 4.46Å; T707-R746 HydrophobicContact CG2-CG 3.96Å; T707-I747 VanDerWaalsContact CB-O 3.31Å; T707-I747 WeakPolarHBondContact CB-O 3.36Å; T707-I747 PolarHBondContact OG1-O 3.49Å
708	K	95.1	Very high	91.4	Very high	46 Å²	46	45.8 Å²	45.8	20%	0.2	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149	147.8	175.7	-73	-57.8	173	-163.6	0	113.8	D666 G721 A748 L750	D666-K708 IonicContact OD1-NZ 2.78Å; D666-K708 VanDerWaalsContact OD2-CA 3.28Å; D666-K708 WeakPolarHBondContact OD2-CA 3.34Å; D666-K708 WeakPolarHBondContact OD2-CD 3.36Å; D666-K708 IonicContact OD2-NZ 2.74Å; K708-G721 PolarHBondContact N-O 2.98Å; K708-G721 PolarHBondContact O-N 2.98Å; K708-A748 WeakPolarHBondContact CG-O 3.38Å; K708-L750 HydrophobicContact CB-CB 4.4Å; K708-L750 HydrophobicContact CB-CD1 3.73Å; K708-L750 HydrophobicContact CB-CG 3.85Å
709	L	95.9	Very high	91.6	Very high	11 Å²	11	40.3 Å²	40.3	6%	0.058	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	142.2	170.2	-65.4	-179.9	0	0	0	110.7	D666 A668 I685 I706 I718 Y719 V720	D666-L709 HydrophobicContact CB-CB 4.46Å; D666-L709 HydrophobicContact CB-CG 4.36Å; D666-L709 PolarHBondContact OD2-N 2.87Å; A668-L709 HydrophobicContact CB-CB 4.12Å; I685-L709 HydrophobicContact CD1-CD2 3.84Å; I685-L709 HydrophobicContact CG1-CD2 4.31Å; I706-L709 HydrophobicContact CG2-CD2 4.08Å; I706-L709 HydrophobicContact CG2-CG 4.1Å; L709-I718 HydrophobicContact CB-CD1 4.44Å; L709-I718 HydrophobicContact CD1-CD1 4.39Å; L709-I718 HydrophobicContact CD2-CD1 4.08Å; L709-I718 HydrophobicContact CD2-CG1 4.47Å; L709-Y719 WeakPolarHBondContact CA-O 3.49Å; L709-V720 HydrophobicContact CD2-CB 4.19Å; L709-V720 HydrophobicContact CD2-CG1 3.79Å; L709-V720 HydrophobicContact CD2-CG2 3.84Å
710	C	94.8	Very high	91.9	Very high	14 Å²	14	40.1 Å²	40.1	10%	0.095	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	147.9	160.6	64.4	0	0	0	0	111.8	Y719 L750 V752	C710-Y719 PolarHBondContact N-O 2.86Å; C710-Y719 PolarHBondContact O-N 2.82Å; C710-L750 HydrophobicContact CB-CB 4.43Å; C710-V752 HydrophobicContact CB-CG2 3.53Å; C710-V752 WeakPolarHBondContact SG-CG2 3.3Å
711	L	94.3	Very high	92.4	Very high	22 Å²	22	37.2 Å²	37.2	12%	0.115	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	157	170.1	-64.8	171.3	0	0	0	110.3	A668 N670 Y677 S717 I718 L732 V752	A668-L711 HydrophobicContact CB-CG 4.09Å; N670-L711 HydrophobicContact CB-CD1 3.89Å; Y677-L711 HydrophobicContact CD2-CD2 3.94Å; Y677-L711 HydrophobicContact CE2-CD2 3.97Å; L711-S717 WeakPolarHBondContact CA-O 3.38Å; L711-I718 HydrophobicContact CD2-CB 4.01Å; L711-I718 HydrophobicContact CD2-CD1 4.37Å; L711-I718 HydrophobicContact CD2-CG1 4.18Å; L711-L732 HydrophobicContact CD2-CD1 3.56Å; L711-V752 WeakPolarHBondContact O-CG2 3.47Å
712	D	91.2	Very high	92.9	Very high	13 Å²	13	32.9 Å²	32.9	7%	0.07	18%	0.176	C	C	.	.			trans	-66.1	167.3	159	74.2	-67.8	0	0	0	111.2	N714 G715 E716 S717 Y719	D712-N714 VanDerWaalsContact C-N 3.28Å; D712-N714 PolarHBondContact O-N 3.49Å; D712-N714 VanDerWaalsContact OD2-CA 3.28Å; D712-N714 WeakPolarHBondContact OD2-CA 3.41Å; D712-N714 WeakPolarHBondContact OD2-CB 3.49Å; D712-N714 PolarHBondContact OD2-N 3.32Å; D712-G715 VanDerWaalsContact CG-N 3.35Å; D712-G715 PolarHBondContact O-N 2.96Å; D712-G715 VanDerWaalsContact OD1-C 3.31Å; D712-G715 VanDerWaalsContact OD1-CA 3.25Å; D712-G715 WeakPolarHBondContact OD1-CA 3.31Å; D712-G715 PolarHBondContact OD1-N 3.42Å; D712-G715 VanDerWaalsContact OD1-N 3.08Å; D712-G715 PolarHBondContact OD2-N 2.89Å; D712-G715 VanDerWaalsContact OD2-N 3.08Å; D712-E716 PolarHBondContact OD1-N 3.43Å; D712-S717 PolarHBondContact N-O 2.95Å; D712-S717 VanDerWaalsContact N-O 3.07Å; D712-S717 PolarHBondContact OD1-N 3.11Å; D712-Y719 HydrophobicContact CB-CE2 3.92Å
713	P	85.4	Confident	93	Very high	44 Å²	44	33.6 Å²	33.6	29%	0.286	18%	0.179	S	C	.	.	S	Bend	trans	-62.3	-24.8	178.6	-25.1	36.1	0	0	0	115.8	V752 P756	P713-V752 HydrophobicContact CG-CG1 4Å; P713-P756 HydrophobicContact CB-CB 4.01Å
714	N	85.6	Confident	93.1	Very high	84 Å²	84	28 Å²	28	45%	0.449	15%	0.149	S	C	.	.	S	Bend	trans	-87.3	-24.2	177.6	-50.6	-25.2	0	0	0	111.9	D712 E716 P756	D712-N714 VanDerWaalsContact C-N 3.28Å; D712-N714 PolarHBondContact O-N 3.49Å; D712-N714 VanDerWaalsContact OD2-CA 3.28Å; D712-N714 WeakPolarHBondContact OD2-CA 3.41Å; D712-N714 WeakPolarHBondContact OD2-CB 3.49Å; D712-N714 PolarHBondContact OD2-N 3.32Å; N714-E716 HydrophobicContact CB-CG 3.83Å; N714-E716 PolarHBondContact ND2-OE2 2.74Å; N714-P756 WeakPolarHBondContact OD1-CB 3.49Å
715	G	87.9	Confident	93.2	Very high	15 Å²	15	30.5 Å²	30.5	16%	0.155	16%	0.158	C	C	.	.	S	Bend	trans	78.7	28.2	-174.4	0	0	0	0	0	113.8	N670 D712 L732	N670-G715 PolarHBondContact ND2-O 3.49Å; D712-G715 VanDerWaalsContact CG-N 3.35Å; D712-G715 PolarHBondContact O-N 2.96Å; D712-G715 VanDerWaalsContact OD1-C 3.31Å; D712-G715 VanDerWaalsContact OD1-CA 3.25Å; D712-G715 WeakPolarHBondContact OD1-CA 3.31Å; D712-G715 PolarHBondContact OD1-N 3.42Å; D712-G715 VanDerWaalsContact OD1-N 3.08Å; D712-G715 PolarHBondContact OD2-N 2.89Å; D712-G715 VanDerWaalsContact OD2-N 3.08Å; G715-L732 WeakPolarHBondContact O-CD1 3.2Å
716	E	90.7	Very high	93.3	Very high	123 Å²	123	30.5 Å²	30.5	58%	0.575	16%	0.156	S	C	*	.	S	Bend	trans	-88.9	-24.7	176.8	-66	176	139.9	0	0	112.9	D712 N714 L732	D712-E716 PolarHBondContact OD1-N 3.43Å; N714-E716 HydrophobicContact CB-CG 3.83Å; N714-E716 PolarHBondContact ND2-OE2 2.74Å; E716-L732 WeakPolarHBondContact O-CB 3.5Å; E716-L732 PolarHBondContact O-N 3.16Å
717	S	93.5	Very high	93.3	Very high	18 Å²	18	30.5 Å²	30.5	13%	0.126	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	151.1	-176.1	-65.5	0	0	0	0	112.8	L711 D712 Y730	L711-S717 WeakPolarHBondContact CA-O 3.38Å; D712-S717 PolarHBondContact N-O 2.95Å; D712-S717 VanDerWaalsContact N-O 3.07Å; D712-S717 PolarHBondContact OD1-N 3.11Å; S717-Y730 CarbonylContact C-O 3.6Å; S717-Y730 VanDerWaalsContact CA-O 3.28Å; S717-Y730 WeakPolarHBondContact CA-O 3.25Å
718	I	95.5	Very high	93.3	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	135.1	174.5	-168	170.2	0	0	0	111.2	A668 Y677 L699 L709 L711 Y730 L732	A668-I718 HydrophobicContact CB-CD1 4.4Å; Y677-I718 HydrophobicContact CD1-CD1 4.41Å; Y677-I718 HydrophobicContact CD2-CD1 4.35Å; Y677-I718 HydrophobicContact CG-CD1 3.85Å; L699-I718 HydrophobicContact CD1-CG2 3.56Å; L709-I718 HydrophobicContact CB-CD1 4.44Å; L709-I718 HydrophobicContact CD1-CD1 4.39Å; L709-I718 HydrophobicContact CD2-CD1 4.08Å; L709-I718 HydrophobicContact CD2-CG1 4.47Å; L711-I718 HydrophobicContact CD2-CB 4.01Å; L711-I718 HydrophobicContact CD2-CD1 4.37Å; L711-I718 HydrophobicContact CD2-CG1 4.18Å; I718-Y730 PolarHBondContact N-O 3.49Å; I718-Y730 PolarHBondContact O-N 3.4Å; I718-L732 HydrophobicContact CB-CD1 4.48Å; I718-L732 HydrophobicContact CB-CD2 4Å; I718-L732 HydrophobicContact CB-CG 4.47Å; I718-L732 HydrophobicContact CG2-CD2 3.61Å; I718-L732 HydrophobicContact CG2-CG 4.41Å
719	Y	96	Very high	93.3	Very high	6 Å²	6	28 Å²	28	2%	0.024	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	136.1	178	-57.6	-85.1	0	0	0	110.1	L709 C710 D712 F727 G728 E729 I761 Y773 L775	L709-Y719 WeakPolarHBondContact CA-O 3.49Å; C710-Y719 PolarHBondContact N-O 2.86Å; C710-Y719 PolarHBondContact O-N 2.82Å; D712-Y719 HydrophobicContact CB-CE2 3.92Å; Y719-F727 HydrophobicContact CD1-CE1 4.3Å; Y719-F727 HydrophobicContact CD1-CE2 4.34Å; Y719-F727 AromaticContact CD1-CZ 3.61Å; Y719-F727 HydrophobicContact CD1-CZ 3.61Å; Y719-F727 HydrophobicContact CG-CZ 4.26Å; Y719-G728 WeakPolarHBondContact CA-O 3.33Å; Y719-E729 HydrophobicContact CD1-CB 3.9Å; Y719-E729 HydrophobicContact CD1-CG 3.95Å; Y719-E729 HydrophobicContact CE1-CB 3.8Å; Y719-E729 HydrophobicContact CE1-CG 3.4Å; Y719-E729 VanDerWaalsContact CE1-CG 3.4Å; Y719-E729 WeakPolarHBondContact CE1-OE2 3.47Å; Y719-I761 HydrophobicContact CD1-CD1 4.42Å; Y719-I761 HydrophobicContact CD2-CD1 3.23Å; Y719-I761 HydrophobicContact CE1-CD1 4.47Å; Y719-I761 HydrophobicContact CE2-CD1 3.32Å; Y719-I761 HydrophobicContact CG-CD1 3.84Å; Y719-Y773 HydrophobicContact CD1-CE1 4.32Å; Y719-Y773 HydrophobicContact CE1-CD1 4.37Å; Y719-Y773 AromaticContact CE1-CE1 3.68Å; Y719-Y773 HydrophobicContact CE1-CE1 3.68Å; Y719-L775 HydrophobicContact CE1-CD2 4.23Å; Y719-L775 HydrophobicContact CE2-CD2 4.05Å; Y719-L775 WeakPolarHBondContact OH-CD2 3.28Å
720	V	96.4	Very high	93.3	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	117.2	-168.2	-167.5	0	0	0	0	109.4	I685 I706 L709 Y722 F727 G728 Y730	I685-V720 HydrophobicContact CD1-CB 4.37Å; I685-V720 HydrophobicContact CD1-CG1 4.01Å; I685-V720 HydrophobicContact CD1-CG2 3.44Å; I685-V720 VanDerWaalsContact CD1-CG2 3.44Å; I706-V720 HydrophobicContact CG1-CG1 3.99Å; I706-V720 HydrophobicContact CG2-CG1 4.27Å; L709-V720 HydrophobicContact CD2-CB 4.19Å; L709-V720 HydrophobicContact CD2-CG1 3.79Å; L709-V720 HydrophobicContact CD2-CG2 3.84Å; V720-Y722 HydrophobicContact CB-CD2 4.27Å; V720-Y722 HydrophobicContact CB-CE2 3.63Å; V720-Y722 HydrophobicContact CG1-CD1 4.41Å; V720-Y722 HydrophobicContact CG1-CD2 3.78Å; V720-Y722 HydrophobicContact CG1-CE1 3.96Å; V720-Y722 HydrophobicContact CG1-CE2 3.27Å; V720-Y722 HydrophobicContact CG1-CG 4.35Å; V720-F727 WeakPolarHBondContact O-CA 3.46Å; V720-F727 WeakPolarHBondContact O-CD2 3.36Å; V720-G728 PolarHBondContact N-O 3.48Å; V720-G728 PolarHBondContact O-N 2.97Å; V720-Y730 HydrophobicContact CB-CE2 4.4Å; V720-Y730 HydrophobicContact CG2-CD2 3.79Å; V720-Y730 HydrophobicContact CG2-CE2 3.86Å
721	G	95.6	Very high	93.2	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	136.2	163.5	0	0	0	0	0	110.2	T707 K708	T707-G721 PolarHBondContact N-O 2.89Å; T707-G721 VanDerWaalsContact OG1-C 3.24Å; T707-G721 PolarHBondContact OG1-O 3.42Å; K708-G721 PolarHBondContact N-O 2.98Å; K708-G721 PolarHBondContact O-N 2.98Å
722	Y	95.6	Very high	93.1	Very high	1 Å²	1	28.1 Å²	28.1	0%	0.004	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	160.9	174.9	-63.7	-95.6	0	0	0	111.6	R702 A704 S705 I706 V720 D724 H725 Y726 Y730	R702-Y722 HydrophobicContact CB-CD1 4.01Å; R702-Y722 HydrophobicContact CB-CE1 3.51Å; R702-Y722 HydrophobicContact CG-CD1 4.3Å; R702-Y722 HydrophobicContact CG-CE1 4.24Å; A704-Y722 HydrophobicContact CB-CD1 4.35Å; A704-Y722 WeakPolarHBondContact O-CD1 3.28Å; S705-Y722 CarbonylContact O-C 3.47Å; S705-Y722 WeakPolarHBondContact O-CA 3.28Å; I706-Y722 HydrophobicContact CD1-CE1 4.47Å; I706-Y722 HydrophobicContact CG1-CD1 3.88Å; I706-Y722 HydrophobicContact CG1-CE1 3.66Å; V720-Y722 HydrophobicContact CB-CD2 4.27Å; V720-Y722 HydrophobicContact CB-CE2 3.63Å; V720-Y722 HydrophobicContact CG1-CD1 4.41Å; V720-Y722 HydrophobicContact CG1-CD2 3.78Å; V720-Y722 HydrophobicContact CG1-CE1 3.96Å; V720-Y722 HydrophobicContact CG1-CE2 3.27Å; V720-Y722 HydrophobicContact CG1-CG 4.35Å; Y722-D724 VanDerWaalsContact C-N 3.32Å; Y722-D724 WeakPolarHBondContact CB-OD1 3.47Å; Y722-D724 PolarHBondContact O-N 2.95Å; Y722-H725 PolarHBondContact O-N 2.92Å; Y722-Y726 AromaticContact CD2-CD1 3.61Å; Y722-Y726 HydrophobicContact CD2-CD1 3.61Å; Y722-Y726 HydrophobicContact CD2-CE1 4.45Å; Y722-Y726 HydrophobicContact CD2-CG 4.48Å; Y722-Y726 AromaticContact CE2-CD1 3.79Å; Y722-Y726 HydrophobicContact CE2-CD1 3.79Å; Y722-Y726 HydrophobicContact CE2-CE1 4.19Å; Y722-Y726 HydrophobicContact CG-CD1 4.48Å; Y722-Y726 PolarHBondContact N-O 3.5Å; Y722-Y730 PolarHBondContact OH-OH 2.93Å; Y722-Y730 VanDerWaalsContact OH-OH 3.12Å
723	Y	93.4	Very high	92.9	Very high	87 Å²	87	36.3 Å²	36.3	34%	0.341	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-39.5	-175.9	-164.7	-80.6	0	0	0	112.4	M157 S705 T707 H725 R746	M157-Y723 HydrophobicContact CE-CD2 3.86Å; M157-Y723 HydrophobicContact CE-CE2 4.36Å; M157-Y723 HydrophobicContact SD-CD2 3.63Å; M157-Y723 HydrophobicContact SD-CE2 3.67Å; S705-Y723 WeakPolarHBondContact O-CB 3.46Å; S705-Y723 PolarHBondContact O-N 3.21Å; T707-Y723 HydrophobicContact CG2-CD2 4.46Å; Y723-H725 PolarHBondContact O-N 3.1Å; Y723-H725 PolarHBondContact O-ND1 2.93Å; Y723-H725 VanDerWaalsContact O-ND1 3.12Å; Y723-R746 PolarHBondContact OH-NH1 3.25Å; Y723-R746 VanDerWaalsContact OH-NH1 3.09Å
724	D	93.5	Very high	93.1	Very high	57 Å²	57	37.7 Å²	37.7	31%	0.305	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75	21.5	179.4	72.1	-33.5	0	0	0	114	R702 A704 Y722 Y726	R702-D724 IonicContact CZ-OD2 3Å; R702-D724 IonicContact NE-OD1 3.11Å; R702-D724 PolarHBondContact NE-OD1 2.82Å; R702-D724 IonicContact NE-OD2 3.78Å; R702-D724 PolarHBondContact NE-OD2 3.42Å; R702-D724 IonicContact NH2-OD2 3.1Å; R702-D724 PolarHBondContact NH2-OD2 2.91Å; A704-D724 HydrophobicContact CB-CB 4.03Å; A704-D724 WeakPolarHBondContact CB-OD1 3.41Å; Y722-D724 VanDerWaalsContact C-N 3.32Å; Y722-D724 WeakPolarHBondContact CB-OD1 3.47Å; Y722-D724 PolarHBondContact O-N 2.95Å; D724-Y726 PolarHBondContact O-N 2.87Å; D724-Y726 VanDerWaalsContact OD1-CB 3.32Å; D724-Y726 WeakPolarHBondContact OD1-CB 3.33Å
725	H	93.9	Very high	93.3	Very high	67 Å²	67	35.4 Å²	35.4	31%	0.31	18%	0.18	S	C	.	.	S	Bend	trans	66.1	5.8	177.9	-31	-29.1	0	0	0	114.3	Y722 Y723 F743 R746	Y722-H725 PolarHBondContact O-N 2.92Å; Y723-H725 PolarHBondContact O-N 3.1Å; Y723-H725 PolarHBondContact O-ND1 2.93Å; Y723-H725 VanDerWaalsContact O-ND1 3.12Å; H725-F743 VanDerWaalsContact CB-O 3.27Å; H725-F743 WeakPolarHBondContact CB-O 3.49Å; H725-F743 PolarHBondContact O-N 3.46Å; H725-R746 PolarHBondContact ND1-N 2.82Å
726	Y	95.1	Very high	93.4	Very high	16 Å²	16	40 Å²	40	6%	0.063	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72	145.2	173.4	-172.2	-92	0	0	0	111.1	Y722 D724 L737 K740 I742	Y722-Y726 AromaticContact CD2-CD1 3.61Å; Y722-Y726 HydrophobicContact CD2-CD1 3.61Å; Y722-Y726 HydrophobicContact CD2-CE1 4.45Å; Y722-Y726 HydrophobicContact CD2-CG 4.48Å; Y722-Y726 AromaticContact CE2-CD1 3.79Å; Y722-Y726 HydrophobicContact CE2-CD1 3.79Å; Y722-Y726 HydrophobicContact CE2-CE1 4.19Å; Y722-Y726 HydrophobicContact CG-CD1 4.48Å; Y722-Y726 PolarHBondContact N-O 3.5Å; D724-Y726 PolarHBondContact O-N 2.87Å; D724-Y726 VanDerWaalsContact OD1-CB 3.32Å; D724-Y726 WeakPolarHBondContact OD1-CB 3.33Å; Y726-L737 WeakPolarHBondContact OH-CD2 3.34Å; Y726-K740 HydrophobicContact CE1-CB 4.45Å; Y726-K740 HydrophobicContact CE2-CB 4.03Å; Y726-K740 HydrophobicContact CE2-CD 4.09Å; Y726-K740 VanDerWaalsContact OH-CB 3.27Å; Y726-K740 WeakPolarHBondContact OH-CB 3.24Å; Y726-K740 WeakPolarHBondContact OH-CD 3.43Å; Y726-I742 HydrophobicContact CD2-CD1 4.31Å; Y726-I742 HydrophobicContact CD2-CG1 3.89Å
727	F	96	Very high	93.5	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	129.3	173.3	180	-114.9	0	0	0	109	Y719 V720 K740 N741 F743 I747 L750 L763 Y773	Y719-F727 HydrophobicContact CD1-CE1 4.3Å; Y719-F727 HydrophobicContact CD1-CE2 4.34Å; Y719-F727 AromaticContact CD1-CZ 3.61Å; Y719-F727 HydrophobicContact CD1-CZ 3.61Å; Y719-F727 HydrophobicContact CG-CZ 4.26Å; V720-F727 WeakPolarHBondContact O-CA 3.46Å; V720-F727 WeakPolarHBondContact O-CD2 3.36Å; F727-K740 CarbonylContact O-C 3.55Å; F727-K740 VanDerWaalsContact O-CA 3.23Å; F727-K740 WeakPolarHBondContact O-CA 3.47Å; F727-N741 HydrophobicContact CB-CB 4.26Å; F727-N741 HydrophobicContact CD1-CB 4.29Å; F727-N741 PolarHBondContact N-O 3.3Å; F727-N741 PolarHBondContact O-N 3.12Å; F727-F743 HydrophobicContact CB-CD2 4.13Å; F727-F743 HydrophobicContact CB-CE2 3.64Å; F727-F743 HydrophobicContact CD1-CE2 4.29Å; F727-F743 AromaticContact CG-CE2 3.95Å; F727-F743 HydrophobicContact CG-CE2 3.95Å; F727-I747 HydrophobicContact CB-CD1 3.83Å; F727-I747 HydrophobicContact CD2-CD1 3.51Å; F727-I747 HydrophobicContact CE2-CD1 4.42Å; F727-I747 HydrophobicContact CG-CD1 4.03Å; F727-L750 HydrophobicContact CE2-CD2 4.47Å; F727-L763 HydrophobicContact CD2-CD2 3.96Å; F727-L763 HydrophobicContact CE2-CD2 3.78Å; F727-L763 HydrophobicContact CG-CD2 4.43Å; F727-L763 HydrophobicContact CZ-CD2 4.12Å; F727-Y773 AromaticContact CE1-CD2 4Å; F727-Y773 HydrophobicContact CE1-CD2 4Å; F727-Y773 HydrophobicContact CE1-CE1 4.34Å; F727-Y773 AromaticContact CE1-CE2 3.75Å; F727-Y773 HydrophobicContact CE1-CE2 3.75Å; F727-Y773 HydrophobicContact CE1-CG 4.4Å; F727-Y773 AromaticContact CE1-CZ 3.89Å
728	G	94.6	Very high	93.5	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	135.2	176.5	0	0	0	0	0	111.9	Y719 V720	Y719-G728 WeakPolarHBondContact CA-O 3.33Å; V720-G728 PolarHBondContact N-O 3.48Å; V720-G728 PolarHBondContact O-N 2.97Å
729	E	95.6	Very high	93.4	Very high	9 Å²	9	41.9 Å²	41.9	4%	0.042	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	123.9	165.8	175.7	-174.4	136.2	0	0	107.7	Y719 L737 V738 H739 Y773 H778	Y719-E729 HydrophobicContact CD1-CB 3.9Å; Y719-E729 HydrophobicContact CD1-CG 3.95Å; Y719-E729 HydrophobicContact CE1-CB 3.8Å; Y719-E729 HydrophobicContact CE1-CG 3.4Å; Y719-E729 VanDerWaalsContact CE1-CG 3.4Å; Y719-E729 WeakPolarHBondContact CE1-OE2 3.47Å; E729-L737 CarbonylContact O-C 3.59Å; E729-L737 WeakPolarHBondContact O-CA 3.38Å; E729-V738 HydrophobicContact CG-CB 4.21Å; E729-V738 PolarHBondContact O-N 2.68Å; E729-V738 WeakPolarHBondContact OE1-CG1 3.45Å; E729-H739 HydrophobicContact CB-CB 3.94Å; E729-H739 PolarHBondContact N-O 3.12Å; E729-H739 PolarHBondContact O-N 3.11Å; E729-Y773 PolarHBondContact OE2-OH 3.35Å; E729-H778 IonicContact OE1-CE1 2.68Å; E729-H778 PolarHBondContact OE1-CE1 2.79Å; E729-H778 IonicContact OE1-ND1 3.77Å; E729-H778 IonicContact OE2-CE1 2.64Å; E729-H778 PolarHBondContact OE2-CE1 2.94Å; E729-H778 IonicContact OE2-ND1 2.74Å; E729-H778 PolarHBondContact OE2-ND1 3Å; E729-H778 VanDerWaalsContact OE2-ND1 3.1Å
730	Y	94.7	Very high	93.3	Very high	9 Å²	9	47.9 Å²	47.9	4%	0.035	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	126.8	180	-63.4	-102.5	0	0	0	110	L699 P700 S717 I718 V720 Y722 L732 L736 L737	L699-Y730 HydrophobicContact CB-CD1 4.43Å; L699-Y730 HydrophobicContact CD1-CG 4.27Å; P700-Y730 HydrophobicContact CB-CE1 4.34Å; P700-Y730 HydrophobicContact CG-CE1 4.29Å; S717-Y730 CarbonylContact C-O 3.6Å; S717-Y730 VanDerWaalsContact CA-O 3.28Å; S717-Y730 WeakPolarHBondContact CA-O 3.25Å; I718-Y730 PolarHBondContact N-O 3.49Å; I718-Y730 PolarHBondContact O-N 3.4Å; V720-Y730 HydrophobicContact CB-CE2 4.4Å; V720-Y730 HydrophobicContact CG2-CD2 3.79Å; V720-Y730 HydrophobicContact CG2-CE2 3.86Å; Y722-Y730 PolarHBondContact OH-OH 2.93Å; Y722-Y730 VanDerWaalsContact OH-OH 3.12Å; Y730-L732 PolarHBondContact O-N 3.05Å; Y730-L736 CarbonylContact C-O 3.5Å; Y730-L736 WeakPolarHBondContact CA-O 3.44Å; Y730-L737 HydrophobicContact CD1-CB 4.08Å; Y730-L737 HydrophobicContact CD1-CD1 4.26Å; Y730-L737 HydrophobicContact CD2-CD1 4.2Å; Y730-L737 HydrophobicContact CE1-CB 3.96Å; Y730-L737 HydrophobicContact CE1-CD1 3.88Å; Y730-L737 HydrophobicContact CE2-CD1 3.8Å; Y730-L737 HydrophobicContact CG-CD1 4.41Å
731	S	93.1	Very high	93.1	Very high	19 Å²	19	50.4 Å²	50.4	13%	0.133	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	124.6	172.4	157.8	0	0	0	0	108.8	T734 S735 L736 V738	S731-T734 WeakPolarHBondContact CB-OG1 3.49Å; S731-T734 PolarHBondContact O-N 2.91Å; S731-T734 PolarHBondContact O-OG1 3.2Å; S731-T734 PolarHBondContact OG-N 3.29Å; S731-T734 PolarHBondContact OG-OG1 2.86Å; S731-S735 VanDerWaalsContact O-CA 3.28Å; S731-S735 WeakPolarHBondContact O-CA 3.19Å; S731-S735 PolarHBondContact O-N 2.63Å; S731-L736 PolarHBondContact N-O 2.8Å; S731-V738 VanDerWaalsContact CB-CG2 3.44Å
732	L	91	Very high	93.1	Very high	23 Å²	23	55.9 Å²	55.9	12%	0.12	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-33.8	-176.3	-63.4	172.4	0	0	0	111.6	Y677 L699 L711 G715 E716 I718 Y730 T734	Y677-L732 HydrophobicContact CD1-CD2 4.16Å; Y677-L732 HydrophobicContact CE1-CD2 3.49Å; Y677-L732 VanDerWaalsContact CE1-CD2 3.49Å; Y677-L732 HydrophobicContact CE2-CD1 3.97Å; Y677-L732 HydrophobicContact CE2-CD2 4.35Å; L699-L732 HydrophobicContact CD1-CD2 4.49Å; L711-L732 HydrophobicContact CD2-CD1 3.56Å; G715-L732 WeakPolarHBondContact O-CD1 3.2Å; E716-L732 WeakPolarHBondContact O-CB 3.5Å; E716-L732 PolarHBondContact O-N 3.16Å; I718-L732 HydrophobicContact CB-CD1 4.48Å; I718-L732 HydrophobicContact CB-CD2 4Å; I718-L732 HydrophobicContact CB-CG 4.47Å; I718-L732 HydrophobicContact CG2-CD2 3.61Å; I718-L732 HydrophobicContact CG2-CG 4.41Å; Y730-L732 PolarHBondContact O-N 3.05Å; L732-T734 VanDerWaalsContact C-N 3.26Å; L732-T734 PolarHBondContact O-N 3.07Å
733	Q	88.9	Confident	92.9	Very high	185 Å²	185	56.9 Å²	56.9	86%	0.864	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-31.9	174.7	-169.6	-176.3	22.1	0	0	113.1
734	T	88.8	Confident	92.6	Very high	72 Å²	72	57.3 Å²	57.3	44%	0.442	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.8	-16	-176.6	60.9	0	0	0	0	113.8	S731 L732 L736	S731-T734 WeakPolarHBondContact CB-OG1 3.49Å; S731-T734 PolarHBondContact O-N 2.91Å; S731-T734 PolarHBondContact O-OG1 3.2Å; S731-T734 PolarHBondContact OG-N 3.29Å; S731-T734 PolarHBondContact OG-OG1 2.86Å; L732-T734 VanDerWaalsContact C-N 3.26Å; L732-T734 PolarHBondContact O-N 3.07Å; T734-L736 PolarHBondContact O-N 2.96Å; T734-L736 PolarHBondContact OG1-N 3.1Å
735	S	88.7	Confident	92.6	Very high	36 Å²	36	55.3 Å²	55.3	25%	0.252	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.7	18.6	-165.8	-64.1	0	0	0	0	114.6	P700 S731	P700-S735 VanDerWaalsContact CD-O 3.29Å; P700-S735 WeakPolarHBondContact CD-O 3.45Å; S731-S735 VanDerWaalsContact O-CA 3.28Å; S731-S735 WeakPolarHBondContact O-CA 3.19Å; S731-S735 PolarHBondContact O-N 2.63Å
736	L	90.9	Very high	92.5	Very high	111 Å²	111	52.8 Å²	52.8	58%	0.581	28%	0.281	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.1	149	-179.6	-62.6	179.1	0	0	0	112.2	Y730 S731 T734 V738	Y730-L736 CarbonylContact C-O 3.5Å; Y730-L736 WeakPolarHBondContact CA-O 3.44Å; S731-L736 PolarHBondContact N-O 2.8Å; T734-L736 PolarHBondContact O-N 2.96Å; T734-L736 PolarHBondContact OG1-N 3.1Å; L736-V738 PolarHBondContact O-N 2.89Å
737	L	93	Very high	92.5	Very high	66 Å²	66	52 Å²	52	35%	0.346	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	115.1	170.2	-178.7	79.6	0	0	0	109.7	Y726 E729 Y730 H739 K740	Y726-L737 WeakPolarHBondContact OH-CD2 3.34Å; E729-L737 CarbonylContact O-C 3.59Å; E729-L737 WeakPolarHBondContact O-CA 3.38Å; Y730-L737 HydrophobicContact CD1-CB 4.08Å; Y730-L737 HydrophobicContact CD1-CD1 4.26Å; Y730-L737 HydrophobicContact CD2-CD1 4.2Å; Y730-L737 HydrophobicContact CE1-CB 3.96Å; Y730-L737 HydrophobicContact CE1-CD1 3.88Å; Y730-L737 HydrophobicContact CE2-CD1 3.8Å; Y730-L737 HydrophobicContact CG-CD1 4.41Å; L737-H739 WeakPolarHBondContact CD1-O 3.17Å; L737-K740 HydrophobicContact CD1-CB 4.49Å; L737-K740 HydrophobicContact CD2-CB 4.24Å; L737-K740 HydrophobicContact CD2-CD 4.1Å
738	V	93	Very high	92.3	Very high	75 Å²	75	52.9 Å²	52.9	46%	0.455	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	-53	179.2	178.7	0	0	0	0	110.5	E729 S731 L736	E729-V738 HydrophobicContact CG-CB 4.21Å; E729-V738 PolarHBondContact O-N 2.68Å; E729-V738 WeakPolarHBondContact OE1-CG1 3.45Å; S731-V738 VanDerWaalsContact CB-CG2 3.44Å; L736-V738 PolarHBondContact O-N 2.89Å
739	H	92.9	Very high	92.3	Very high	41 Å²	41	53 Å²	53	19%	0.19	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	153.3	-178.8	-173.5	84.1	0	0	0	110.9	E729 L737 Y773 H778	E729-H739 HydrophobicContact CB-CB 3.94Å; E729-H739 PolarHBondContact N-O 3.12Å; E729-H739 PolarHBondContact O-N 3.11Å; L737-H739 WeakPolarHBondContact CD1-O 3.17Å; H739-Y773 AromaticContact CD2-CE2 3.88Å; H739-Y773 AromaticContact CD2-CZ 3.98Å; H739-Y773 PolarHBondContact CD2-OH 3.25Å; H739-H778 VanDerWaalsContact CE1-CB 3.49Å; H739-H778 WeakPolarHBondContact CE1-CB 3.31Å; H739-H778 AromaticContact CG-CG 3.77Å; H739-H778 AromaticContact CG-ND1 3.77Å; H739-H778 WeakPolarHBondContact ND1-CB 3.32Å; H739-H778 AromaticContact ND1-CD2 3.98Å; H739-H778 AromaticContact ND1-CG 3.52Å; H739-H778 AromaticContact ND1-ND1 3.99Å
740	K	93.9	Very high	92.3	Very high	132 Å²	132	53.6 Å²	53.6	57%	0.574	29%	0.289	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-144.3	147.2	173	65	-179.4	-179.8	-174.5	0	112.2	Y726 F727 L737	Y726-K740 HydrophobicContact CE1-CB 4.45Å; Y726-K740 HydrophobicContact CE2-CB 4.03Å; Y726-K740 HydrophobicContact CE2-CD 4.09Å; Y726-K740 VanDerWaalsContact OH-CB 3.27Å; Y726-K740 WeakPolarHBondContact OH-CB 3.24Å; Y726-K740 WeakPolarHBondContact OH-CD 3.43Å; F727-K740 CarbonylContact O-C 3.55Å; F727-K740 VanDerWaalsContact O-CA 3.23Å; F727-K740 WeakPolarHBondContact O-CA 3.47Å; L737-K740 HydrophobicContact CD1-CB 4.49Å; L737-K740 HydrophobicContact CD2-CB 4.24Å; L737-K740 HydrophobicContact CD2-CD 4.1Å
741	N	93.8	Very high	92.3	Very high	52 Å²	52	53.4 Å²	53.4	28%	0.278	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	166.8	171.3	-135.6	-65.2	0	0	0	111.5	F727 F743 I780	F727-N741 HydrophobicContact CB-CB 4.26Å; F727-N741 HydrophobicContact CD1-CB 4.29Å; F727-N741 PolarHBondContact N-O 3.3Å; F727-N741 PolarHBondContact O-N 3.12Å; N741-F743 HydrophobicContact CB-CE2 4.29Å; N741-F743 HydrophobicContact CB-CZ 4.12Å; N741-I780 HydrophobicContact CB-CD1 4.4Å; N741-I780 VanDerWaalsContact ND2-CD1 3.27Å; N741-I780 WeakPolarHBondContact ND2-CD1 3.09Å
742	I	93.9	Very high	92.2	Very high	115 Å²	115	54.4 Å²	54.4	59%	0.59	29%	0.294	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-134.9	119.6	173.2	-58.2	178.9	0	0	0	107	Y726	Y726-I742 HydrophobicContact CD2-CD1 4.31Å; Y726-I742 HydrophobicContact CD2-CG1 3.89Å
743	F	92.6	Very high	91.8	Very high	22 Å²	22	53.5 Å²	53.5	10%	0.096	29%	0.29	C	S	.	.			trans	-94.1	162.8	-176.9	-66.9	-65.3	0	0	0	112.2	H725 F727 N741 S745 I747 L763 L765 L771 I780	H725-F743 VanDerWaalsContact CB-O 3.27Å; H725-F743 WeakPolarHBondContact CB-O 3.49Å; H725-F743 PolarHBondContact O-N 3.46Å; F727-F743 HydrophobicContact CB-CD2 4.13Å; F727-F743 HydrophobicContact CB-CE2 3.64Å; F727-F743 HydrophobicContact CD1-CE2 4.29Å; F727-F743 AromaticContact CG-CE2 3.95Å; F727-F743 HydrophobicContact CG-CE2 3.95Å; N741-F743 HydrophobicContact CB-CE2 4.29Å; N741-F743 HydrophobicContact CB-CZ 4.12Å; F743-S745 WeakPolarHBondContact CB-O 3.42Å; F743-S745 PolarHBondContact O-N 3.07Å; F743-I747 HydrophobicContact CD2-CD1 3.86Å; F743-I747 HydrophobicContact CD2-CG1 4.04Å; F743-I747 HydrophobicContact CE2-CD1 3.95Å; F743-I747 HydrophobicContact CE2-CG1 4.44Å; F743-L763 HydrophobicContact CE2-CD2 3.79Å; F743-L763 HydrophobicContact CZ-CD2 4.13Å; F743-L765 HydrophobicContact CB-CD1 4.19Å; F743-L765 HydrophobicContact CB-CD2 4.4Å; F743-L765 HydrophobicContact CG-CD1 4.49Å; F743-L765 HydrophobicContact CG-CD2 4.44Å; F743-L771 HydrophobicContact CD1-CD1 3.56Å; F743-L771 HydrophobicContact CE1-CD1 3.31Å; F743-L771 HydrophobicContact CG-CD1 4.38Å; F743-L771 HydrophobicContact CZ-CD1 3.95Å; F743-I780 HydrophobicContact CE1-CD1 3.92Å; F743-I780 HydrophobicContact CE1-CG2 4.32Å; F743-I780 HydrophobicContact CZ-CD1 3.84Å
744	S	87.3	Confident	91	Very high	97 Å²	97	49.4 Å²	49.4	68%	0.678	28%	0.28	S	S	*	.	S	Bend	trans	-70.5	-4.9	174.3	49.3	0	0	0	0	113.9
745	S	92.2	Very high	90.6	Very high	15 Å²	15	46.7 Å²	46.7	11%	0.105	26%	0.264	C	S	.	.	S	Bend	trans	-159	157.5	179.2	-168.7	0	0	0	0	110.2	F743 N767	F743-S745 WeakPolarHBondContact CB-O 3.42Å; F743-S745 PolarHBondContact O-N 3.07Å; S745-N767 PolarHBondContact OG-N 2.89Å
746	R	92.6	Very high	90.2	Very high	14 Å²	14	49 Å²	49	5%	0.053	28%	0.278	C	S	.	.			trans	-59.9	134.2	179.4	178.9	178.3	62.3	-158.7	-6.8	111.4	E153 T707 Y723 H725 A748 F766	E153-R746 PolarHBondContact O-NH2 3.32Å; T707-R746 HydrophobicContact CG2-CG 3.96Å; Y723-R746 PolarHBondContact OH-NH1 3.25Å; Y723-R746 VanDerWaalsContact OH-NH1 3.09Å; H725-R746 PolarHBondContact ND1-N 2.82Å; R746-A748 PolarHBondContact O-N 3.18Å; R746-F766 HydrophobicContact CB-CB 4.23Å; R746-F766 VanDerWaalsContact NH2-CD2 3.26Å; R746-F766 WeakPolarHBondContact O-CB 3.4Å; R746-F766 PolarHBondContact O-N 2.91Å
747	I	94.7	Very high	89.8	Confident	0 Å²	0	51.5 Å²	51.5	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69	119.3	166.9	-63.6	161.3	0	0	0	108.1	T707 F727 F743 L750 L763 L765	T707-I747 VanDerWaalsContact CB-O 3.31Å; T707-I747 WeakPolarHBondContact CB-O 3.36Å; T707-I747 PolarHBondContact OG1-O 3.49Å; F727-I747 HydrophobicContact CB-CD1 3.83Å; F727-I747 HydrophobicContact CD2-CD1 3.51Å; F727-I747 HydrophobicContact CE2-CD1 4.42Å; F727-I747 HydrophobicContact CG-CD1 4.03Å; F743-I747 HydrophobicContact CD2-CD1 3.86Å; F743-I747 HydrophobicContact CD2-CG1 4.04Å; F743-I747 HydrophobicContact CE2-CD1 3.95Å; F743-I747 HydrophobicContact CE2-CG1 4.44Å; I747-L750 HydrophobicContact CG2-CD2 3.75Å; I747-L750 HydrophobicContact CG2-CG 4.01Å; I747-L763 HydrophobicContact CD1-CD2 3.81Å; I747-L763 HydrophobicContact CG1-CD2 4.22Å; I747-L765 HydrophobicContact CB-CD2 4.39Å; I747-L765 HydrophobicContact CG1-CD2 3.69Å
748	A	93.1	Very high	89.5	Confident	17 Å²	17	50 Å²	50	14%	0.14	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	-27.9	178.6	0	0	0	0	0	112.4	K708 R746 G764 F766 I819	K708-A748 WeakPolarHBondContact CG-O 3.38Å; R746-A748 PolarHBondContact O-N 3.18Å; A748-G764 PolarHBondContact N-O 2.86Å; A748-F766 HydrophobicContact CB-CD2 4.49Å; A748-I819 WeakPolarHBondContact CB-O 3.48Å
749	A	94.4	Very high	89.2	Confident	2 Å²	2	49 Å²	49	2%	0.017	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	146.2	180	0	0	0	0	0	111.8	G764 I819 L822	A749-G764 PolarHBondContact N-O 3.02Å; A749-G764 PolarHBondContact O-N 2.9Å; A749-I819 HydrophobicContact CB-CG2 4.17Å; A749-L822 HydrophobicContact CB-CB 4.19Å; A749-L822 HydrophobicContact CB-CD1 4.15Å; A749-L822 HydrophobicContact CB-CG 3.74Å
750	L	95.4	Very high	89.1	Confident	22 Å²	22	49.6 Å²	49.6	12%	0.115	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	145.1	169.9	-66	175.3	0	0	0	108.4	K708 C710 F727 I747 I761 F762 L763	K708-L750 HydrophobicContact CB-CB 4.4Å; K708-L750 HydrophobicContact CB-CD1 3.73Å; K708-L750 HydrophobicContact CB-CG 3.85Å; C710-L750 HydrophobicContact CB-CB 4.43Å; F727-L750 HydrophobicContact CE2-CD2 4.47Å; I747-L750 HydrophobicContact CG2-CD2 3.75Å; I747-L750 HydrophobicContact CG2-CG 4.01Å; L750-I761 HydrophobicContact CD2-CG2 4.49Å; L750-F762 CarbonylContact C-O 3.56Å; L750-F762 WeakPolarHBondContact CA-O 3.43Å; L750-L763 HydrophobicContact CD2-CB 4.23Å; L750-L763 HydrophobicContact CD2-CD2 4.01Å; L750-L763 HydrophobicContact CD2-CG 3.67Å
751	A	93.4	Very high	89.1	Confident	6 Å²	6	43.3 Å²	43.3	5%	0.05	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	132.1	173.5	0	0	0	0	0	110.9	F762 L822 L824 L833	A751-F762 HydrophobicContact CB-CB 4.39Å; A751-F762 PolarHBondContact N-O 2.93Å; A751-F762 PolarHBondContact O-N 2.58Å; A751-L822 HydrophobicContact CB-CB 3.59Å; A751-L822 HydrophobicContact CB-CD1 4.2Å; A751-L824 HydrophobicContact CB-CD1 4.17Å; A751-L824 HydrophobicContact CB-CG 4.14Å; A751-L833 HydrophobicContact CB-CD1 4.25Å
752	V	91	Very high	89.2	Confident	39 Å²	39	41 Å²	41	24%	0.236	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	141.6	-177	-167.3	0	0	0	0	108.9	C710 L711 P713 I761 L824	C710-V752 HydrophobicContact CB-CG2 3.53Å; C710-V752 WeakPolarHBondContact SG-CG2 3.3Å; L711-V752 WeakPolarHBondContact O-CG2 3.47Å; P713-V752 HydrophobicContact CG-CG1 4Å; V752-I761 HydrophobicContact CB-CG1 4.25Å; V752-I761 HydrophobicContact CG1-CD1 4.22Å; V752-I761 HydrophobicContact CG1-CG1 3.94Å; V752-I761 HydrophobicContact CG2-CD1 3.92Å; V752-I761 HydrophobicContact CG2-CG1 3.88Å; V752-L824 VanDerWaalsContact C-CD1 3.44Å
753	A	83.9	Confident	89.3	Confident	4 Å²	4	35.5 Å²	35.5	3%	0.033	21%	0.209	C	C	.	.			trans	-71.9	144.6	177.5	0	0	0	0	0	111.2	S755 V758 L824 L831	A753-S755 PolarHBondContact O-N 3.33Å; A753-V758 HydrophobicContact CB-CB 3.56Å; A753-V758 HydrophobicContact CB-CG1 3.66Å; A753-V758 HydrophobicContact CB-CG2 4.1Å; A753-L824 HydrophobicContact CB-CD1 4.29Å; A753-L831 HydrophobicContact CB-CD2 4.35Å
754	P	72.2	Confident	89.3	Confident	100 Å²	100	34.4 Å²	34.4	65%	0.649	21%	0.205	S	C	*	.	S	Bend	trans	-78.1	7.9	179.2	33.8	-37.3	0	0	0	114.1
755	S	79.8	Confident	89.7	Confident	15 Å²	15	29.9 Å²	29.9	11%	0.105	17%	0.172	C	C	.	.	S	Bend	trans	-128.7	136.4	176.5	173.7	0	0	0	0	110	A753 E757 V758	A753-S755 PolarHBondContact O-N 3.33Å; S755-E757 PolarHBondContact O-N 2.95Å; S755-E757 WeakPolarHBondContact OG-CB 3.24Å; S755-E757 VanDerWaalsContact OG-CG 3.32Å; S755-E757 WeakPolarHBondContact OG-CG 3.28Å; S755-E757 PolarHBondContact OG-N 2.97Å; S755-E757 PolarHBondContact OG-OE2 3.18Å; S755-V758 PolarHBondContact O-N 3.42Å
756	P	80.1	Confident	89.6	Confident	84 Å²	84	30 Å²	30	55%	0.545	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-14.4	174.3	30.4	-36.8	0	0	0	113.3	P713 N714 V758	P713-P756 HydrophobicContact CB-CB 4.01Å; N714-P756 WeakPolarHBondContact OD1-CB 3.49Å; P756-V758 PolarHBondContact O-N 2.89Å
757	E	82.9	Confident	89.5	Confident	163 Å²	163	31.6 Å²	31.6	76%	0.762	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-15.5	176.2	-57.8	166.4	135.6	0	0	113.1	S755 P759	S755-E757 PolarHBondContact O-N 2.95Å; S755-E757 WeakPolarHBondContact OG-CB 3.24Å; S755-E757 VanDerWaalsContact OG-CG 3.32Å; S755-E757 WeakPolarHBondContact OG-CG 3.28Å; S755-E757 PolarHBondContact OG-N 2.97Å; S755-E757 PolarHBondContact OG-OE2 3.18Å; E757-P759 VanDerWaalsContact O-CD 3.28Å; E757-P759 WeakPolarHBondContact O-CD 3.47Å
758	V	85.6	Confident	89.3	Confident	34 Å²	34	32 Å²	32	21%	0.206	19%	0.185	C	C	.	.			trans	-103.4	99.5	179.6	-179.2	0	0	0	0	108.8	A753 S755 P756 F760 L831	A753-V758 HydrophobicContact CB-CB 3.56Å; A753-V758 HydrophobicContact CB-CG1 3.66Å; A753-V758 HydrophobicContact CB-CG2 4.1Å; S755-V758 PolarHBondContact O-N 3.42Å; P756-V758 PolarHBondContact O-N 2.89Å; V758-F760 HydrophobicContact CG1-CB 4.26Å; V758-F760 HydrophobicContact CG1-CD2 4.08Å; V758-F760 PolarHBondContact O-N 2.86Å; V758-L831 HydrophobicContact CG1-CD2 3.88Å; V758-L831 HydrophobicContact CG2-CD2 4.41Å
759	P	88.2	Confident	89.3	Confident	54 Å²	54	32 Å²	32	35%	0.351	18%	0.182	S	C	.	.			trans	-81	44.1	-172.6	35.9	-39.5	0	0	0	112.1	E757 N774 L775	E757-P759 VanDerWaalsContact O-CD 3.28Å; E757-P759 WeakPolarHBondContact O-CD 3.47Å; P759-N774 WeakPolarHBondContact O-CA 3.48Å; P759-N774 PolarHBondContact O-ND2 3.07Å; P759-L775 PolarHBondContact O-N 2.79Å
760	F	91	Very high	89.3	Confident	55 Å²	55	32 Å²	32	24%	0.241	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	139.6	-171.5	-60.5	-70.6	0	0	0	114.2	V758 F762 R772 Y773 N774	V758-F760 HydrophobicContact CG1-CB 4.26Å; V758-F760 HydrophobicContact CG1-CD2 4.08Å; V758-F760 PolarHBondContact O-N 2.86Å; F760-F762 HydrophobicContact CB-CE2 4.03Å; F760-F762 HydrophobicContact CB-CZ 4.34Å; F760-R772 HydrophobicContact CB-CG 3.92Å; F760-R772 HydrophobicContact CD1-CG 3.54Å; F760-R772 HydrophobicContact CE1-CG 4.25Å; F760-R772 HydrophobicContact CG-CG 3.89Å; F760-Y773 VanDerWaalsContact CA-O 3.26Å; F760-Y773 WeakPolarHBondContact CA-O 3.4Å; F760-N774 HydrophobicContact CD1-CB 3.93Å; F760-N774 HydrophobicContact CE1-CB 3.78Å; F760-N774 VanDerWaalsContact CE1-ND2 3.29Å; F760-N774 WeakPolarHBondContact CE1-ND2 3.31Å
761	I	93.7	Very high	89.2	Confident	0 Å²	0	31 Å²	31	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	145.9	165.3	-73.1	175.2	0	0	0	109	Y719 L750 V752 L763 Y773 L775	Y719-I761 HydrophobicContact CD1-CD1 4.42Å; Y719-I761 HydrophobicContact CD2-CD1 3.23Å; Y719-I761 HydrophobicContact CE1-CD1 4.47Å; Y719-I761 HydrophobicContact CE2-CD1 3.32Å; Y719-I761 HydrophobicContact CG-CD1 3.84Å; L750-I761 HydrophobicContact CD2-CG2 4.49Å; V752-I761 HydrophobicContact CB-CG1 4.25Å; V752-I761 HydrophobicContact CG1-CD1 4.22Å; V752-I761 HydrophobicContact CG1-CG1 3.94Å; V752-I761 HydrophobicContact CG2-CD1 3.92Å; V752-I761 HydrophobicContact CG2-CG1 3.88Å; I761-L763 HydrophobicContact CG2-CD1 4.38Å; I761-Y773 PolarHBondContact N-O 2.94Å; I761-Y773 PolarHBondContact O-N 2.83Å; I761-L775 HydrophobicContact CB-CD2 4.26Å; I761-L775 HydrophobicContact CD1-CD2 3.55Å; I761-L775 HydrophobicContact CG1-CD2 3.7Å
762	F	94.6	Very high	89.2	Confident	2 Å²	2	34 Å²	34	1%	0.009	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	131.9	-179.5	-62.9	-98.8	0	0	0	109.8	L750 A751 F760 L771 R772 L783 L822 L824 L833 A847	L750-F762 CarbonylContact C-O 3.56Å; L750-F762 WeakPolarHBondContact CA-O 3.43Å; A751-F762 HydrophobicContact CB-CB 4.39Å; A751-F762 PolarHBondContact N-O 2.93Å; A751-F762 PolarHBondContact O-N 2.58Å; F760-F762 HydrophobicContact CB-CE2 4.03Å; F760-F762 HydrophobicContact CB-CZ 4.34Å; F762-L771 CarbonylContact C-O 3.46Å; F762-L771 VanDerWaalsContact CA-O 3.3Å; F762-L771 WeakPolarHBondContact CA-O 3.46Å; F762-R772 HydrophobicContact CD1-CB 4.12Å; F762-R772 HydrophobicContact CD1-CG 4.21Å; F762-R772 HydrophobicContact CE1-CB 3.97Å; F762-R772 HydrophobicContact CE1-CG 3.74Å; F762-R772 HydrophobicContact CZ-CG 3.95Å; F762-L783 HydrophobicContact CD1-CD2 3.91Å; F762-L783 HydrophobicContact CE1-CD1 4.29Å; F762-L783 HydrophobicContact CE1-CD2 3.85Å; F762-L822 HydrophobicContact CB-CD1 4.28Å; F762-L824 HydrophobicContact CD2-CD1 3.77Å; F762-L824 HydrophobicContact CD2-CD2 4.17Å; F762-L824 HydrophobicContact CD2-CG 4.44Å; F762-L824 HydrophobicContact CE2-CD1 4.05Å; F762-L824 HydrophobicContact CE2-CD2 4.15Å; F762-L833 HydrophobicContact CB-CD1 4.12Å; F762-L833 HydrophobicContact CB-CD2 4.42Å; F762-L833 HydrophobicContact CD1-CD2 4.05Å; F762-L833 HydrophobicContact CG-CD1 4.26Å; F762-L833 HydrophobicContact CG-CD2 4.41Å; F762-A847 HydrophobicContact CE1-CB 4.16Å; F762-A847 WeakPolarHBondContact CE1-O 3.28Å; F762-A847 HydrophobicContact CE2-CB 4.43Å; F762-A847 HydrophobicContact CZ-CB 3.77Å; F762-A847 WeakPolarHBondContact CZ-O 3.21Å
763	L	95.8	Very high	89.4	Confident	0 Å²	0	32.1 Å²	32.1	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	122.9	-176.4	-55.9	84.1	0	0	0	108.9	F727 F743 I747 L750 I761 I770 L771	F727-L763 HydrophobicContact CD2-CD2 3.96Å; F727-L763 HydrophobicContact CE2-CD2 3.78Å; F727-L763 HydrophobicContact CG-CD2 4.43Å; F727-L763 HydrophobicContact CZ-CD2 4.12Å; F743-L763 HydrophobicContact CE2-CD2 3.79Å; F743-L763 HydrophobicContact CZ-CD2 4.13Å; I747-L763 HydrophobicContact CD1-CD2 3.81Å; I747-L763 HydrophobicContact CG1-CD2 4.22Å; L750-L763 HydrophobicContact CD2-CB 4.23Å; L750-L763 HydrophobicContact CD2-CD2 4.01Å; L750-L763 HydrophobicContact CD2-CG 3.67Å; I761-L763 HydrophobicContact CG2-CD1 4.38Å; L763-I770 WeakPolarHBondContact O-CA 3.41Å; L763-L771 HydrophobicContact CB-CB 4.29Å; L763-L771 HydrophobicContact CD1-CB 4.42Å; L763-L771 PolarHBondContact N-O 2.79Å; L763-L771 PolarHBondContact O-N 2.82Å
764	G	94.5	Very high	89.7	Confident	0 Å²	0	33.1 Å²	33.1	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	118	173.6	0	0	0	0	0	109.9	A748 A749	A748-G764 PolarHBondContact N-O 2.86Å; A749-G764 PolarHBondContact N-O 3.02Å; A749-G764 PolarHBondContact O-N 2.9Å
765	L	94.2	Very high	90.6	Very high	1 Å²	1	29.8 Å²	29.8	1%	0.005	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	152.6	-179	-61.3	-167.6	0	0	0	112.1	F743 I747 N767 G768 D769 L771 I819	F743-L765 HydrophobicContact CB-CD1 4.19Å; F743-L765 HydrophobicContact CB-CD2 4.4Å; F743-L765 HydrophobicContact CG-CD1 4.49Å; F743-L765 HydrophobicContact CG-CD2 4.44Å; I747-L765 HydrophobicContact CB-CD2 4.39Å; I747-L765 HydrophobicContact CG1-CD2 3.69Å; L765-N767 WeakPolarHBondContact CB-OD1 3.5Å; L765-N767 PolarHBondContact O-N 3.43Å; L765-G768 PolarHBondContact O-N 3.21Å; L765-D769 HydrophobicContact CB-CB 4.35Å; L765-D769 HydrophobicContact CD1-CB 4.26Å; L765-D769 PolarHBondContact N-O 2.91Å; L765-L771 HydrophobicContact CD1-CD1 3.98Å; L765-L771 HydrophobicContact CD1-CG 4.37Å; L765-L771 HydrophobicContact CG-CD1 4.42Å; L765-I819 PolarHBondContact O-N 2.94Å
766	F	91.3	Very high	90.9	Very high	19 Å²	19	32.3 Å²	32.3	8%	0.083	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-9.3	-178.2	-166.5	-106.5	0	0	0	114.1	E153 R746 A748 G818 L838	E153-F766 HydrophobicContact CB-CE1 4.02Å; E153-F766 HydrophobicContact CB-CZ 4.49Å; E153-F766 HydrophobicContact CG-CE1 4.5Å; R746-F766 HydrophobicContact CB-CB 4.23Å; R746-F766 VanDerWaalsContact NH2-CD2 3.26Å; R746-F766 WeakPolarHBondContact O-CB 3.4Å; R746-F766 PolarHBondContact O-N 2.91Å; A748-F766 HydrophobicContact CB-CD2 4.49Å; F766-G818 WeakPolarHBondContact O-CA 3.41Å; F766-L838 HydrophobicContact CD2-CD1 4.43Å; F766-L838 HydrophobicContact CE2-CD1 3.69Å; F766-L838 HydrophobicContact CZ-CD1 3.97Å
767	N	89.9	Confident	91.4	Very high	47 Å²	47	32.8 Å²	32.8	25%	0.251	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.9	-5.6	169.5	72	-22.8	0	0	0	114.1	S745 L765 D769 H786	S745-N767 PolarHBondContact OG-N 2.89Å; L765-N767 WeakPolarHBondContact CB-OD1 3.5Å; L765-N767 PolarHBondContact O-N 3.43Å; N767-D769 PolarHBondContact ND2-OD2 2.06Å; N767-D769 WeakPolarHBondContact OD1-CB 3.19Å; N767-D769 PolarHBondContact OD1-N 3.31Å; N767-D769 VanDerWaalsContact OD1-N 3.08Å; N767-H786 WeakPolarHBondContact O-CB 3.21Å; N767-H786 PolarHBondContact O-ND1 3.16Å
768	G	89.9	Confident	91.8	Very high	9 Å²	9	27.8 Å²	27.8	9%	0.093	16%	0.164	C	C	.	.	S	Bend	trans	98.1	-3.3	-178.3	0	0	0	0	0	115.3	L765 A817	L765-G768 PolarHBondContact O-N 3.21Å; G768-A817 WeakPolarHBondContact CA-O 3.24Å
769	D	92.8	Very high	92	Very high	15 Å²	15	28.8 Å²	28.8	8%	0.08	18%	0.175	C	C	.	.			trans	-71.4	145.9	175.1	-70	-28.7	0	0	0	111.7	L765 N767 F782 R785 H786	L765-D769 HydrophobicContact CB-CB 4.35Å; L765-D769 HydrophobicContact CD1-CB 4.26Å; L765-D769 PolarHBondContact N-O 2.91Å; N767-D769 PolarHBondContact ND2-OD2 2.06Å; N767-D769 WeakPolarHBondContact OD1-CB 3.19Å; N767-D769 PolarHBondContact OD1-N 3.31Å; N767-D769 VanDerWaalsContact OD1-N 3.08Å; D769-F782 HydrophobicContact CB-CD1 4.48Å; D769-F782 HydrophobicContact CB-CE1 4.27Å; D769-R785 WeakPolarHBondContact OD1-CA 3.27Å; D769-H786 PolarHBondContact OD1-N 3.34Å
770	I	94.2	Very high	92.2	Very high	3 Å²	3	29 Å²	29	2%	0.015	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	118.9	173.3	-51.2	176.4	0	0	0	108.3	L763 L783 C784 I819 L833 V835	L763-I770 WeakPolarHBondContact O-CA 3.41Å; I770-L783 HydrophobicContact CB-CB 4.45Å; I770-L783 HydrophobicContact CG2-CB 4.16Å; I770-L783 HydrophobicContact CG2-CD2 4.06Å; I770-L783 PolarHBondContact O-N 3.42Å; I770-C784 HydrophobicContact CB-CB 4.11Å; I770-C784 HydrophobicContact CD1-CB 4.04Å; I770-C784 HydrophobicContact CG1-CB 4.19Å; I770-C784 PolarHBondContact N-O 3.04Å; I770-C784 PolarHBondContact O-N 2.67Å; I770-C784 VanDerWaalsContact O-N 3.12Å; I770-I819 HydrophobicContact CG1-CD1 4.43Å; I770-I819 HydrophobicContact CG1-CG1 4.48Å; I770-L833 HydrophobicContact CG2-CD2 3.77Å; I770-V835 HydrophobicContact CD1-CB 4.46Å; I770-V835 HydrophobicContact CD1-CG1 3.94Å; I770-V835 HydrophobicContact CD1-CG2 3.74Å
771	L	94.1	Very high	92.1	Very high	2 Å²	2	27.9 Å²	27.9	1%	0.01	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	152.3	177.6	-53.1	-178.3	0	0	0	111.1	F743 F762 L763 L765 I780 G781 F782	F743-L771 HydrophobicContact CD1-CD1 3.56Å; F743-L771 HydrophobicContact CE1-CD1 3.31Å; F743-L771 HydrophobicContact CG-CD1 4.38Å; F743-L771 HydrophobicContact CZ-CD1 3.95Å; F762-L771 CarbonylContact C-O 3.46Å; F762-L771 VanDerWaalsContact CA-O 3.3Å; F762-L771 WeakPolarHBondContact CA-O 3.46Å; L763-L771 HydrophobicContact CB-CB 4.29Å; L763-L771 HydrophobicContact CD1-CB 4.42Å; L763-L771 PolarHBondContact N-O 2.79Å; L763-L771 PolarHBondContact O-N 2.82Å; L765-L771 HydrophobicContact CD1-CD1 3.98Å; L765-L771 HydrophobicContact CD1-CG 4.37Å; L765-L771 HydrophobicContact CG-CD1 4.42Å; L771-I780 HydrophobicContact CB-CG2 4.33Å; L771-I780 HydrophobicContact CD1-CG2 4.04Å; L771-I780 HydrophobicContact CD2-CG2 4.45Å; L771-G781 CarbonylContact C-O 3.58Å; L771-G781 WeakPolarHBondContact CA-O 3.17Å; L771-F782 HydrophobicContact CD2-CB 4.33Å; L771-F782 HydrophobicContact CD2-CD1 3.38Å; L771-F782 HydrophobicContact CD2-CD2 3.99Å; L771-F782 HydrophobicContact CD2-CE1 3.58Å; L771-F782 HydrophobicContact CD2-CE2 4.14Å; L771-F782 HydrophobicContact CD2-CG 3.64Å; L771-F782 HydrophobicContact CD2-CZ 3.95Å
772	R	94.1	Very high	91.9	Very high	68 Å²	68	32.3 Å²	32.3	26%	0.257	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	116.9	168.5	-175.8	176.6	69.1	-154.4	1.6	108.7	F760 F762 G781 A847 S848	F760-R772 HydrophobicContact CB-CG 3.92Å; F760-R772 HydrophobicContact CD1-CG 3.54Å; F760-R772 HydrophobicContact CE1-CG 4.25Å; F760-R772 HydrophobicContact CG-CG 3.89Å; F762-R772 HydrophobicContact CD1-CB 4.12Å; F762-R772 HydrophobicContact CD1-CG 4.21Å; F762-R772 HydrophobicContact CE1-CB 3.97Å; F762-R772 HydrophobicContact CE1-CG 3.74Å; F762-R772 HydrophobicContact CZ-CG 3.95Å; R772-G781 PolarHBondContact N-O 3.43Å; R772-G781 PolarHBondContact O-N 2.88Å; R772-A847 PolarHBondContact NH1-O 2.82Å; R772-S848 PolarHBondContact NH1-O 3.25Å
773	Y	93.9	Very high	91.6	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	128.8	176.4	-179.3	-96.5	0	0	0	109.6	Y719 F727 E729 H739 F760 I761 L775 H778 I780	Y719-Y773 HydrophobicContact CD1-CE1 4.32Å; Y719-Y773 HydrophobicContact CE1-CD1 4.37Å; Y719-Y773 AromaticContact CE1-CE1 3.68Å; Y719-Y773 HydrophobicContact CE1-CE1 3.68Å; F727-Y773 AromaticContact CE1-CD2 4Å; F727-Y773 HydrophobicContact CE1-CD2 4Å; F727-Y773 HydrophobicContact CE1-CE1 4.34Å; F727-Y773 AromaticContact CE1-CE2 3.75Å; F727-Y773 HydrophobicContact CE1-CE2 3.75Å; F727-Y773 HydrophobicContact CE1-CG 4.4Å; F727-Y773 AromaticContact CE1-CZ 3.89Å; E729-Y773 PolarHBondContact OE2-OH 3.35Å; H739-Y773 AromaticContact CD2-CE2 3.88Å; H739-Y773 AromaticContact CD2-CZ 3.98Å; H739-Y773 PolarHBondContact CD2-OH 3.25Å; F760-Y773 VanDerWaalsContact CA-O 3.26Å; F760-Y773 WeakPolarHBondContact CA-O 3.4Å; I761-Y773 PolarHBondContact N-O 2.94Å; I761-Y773 PolarHBondContact O-N 2.83Å; Y773-L775 HydrophobicContact CD1-CD2 4.01Å; Y773-L775 HydrophobicContact CE1-CD2 4.25Å; Y773-H778 HydrophobicContact CE2-CB 4.03Å; Y773-H778 AromaticContact CZ-ND1 3.86Å; Y773-H778 PolarHBondContact OH-ND1 3.08Å; Y773-I780 HydrophobicContact CD2-CD1 4.14Å; Y773-I780 HydrophobicContact CD2-CG1 3.63Å; Y773-I780 HydrophobicContact CE2-CD1 4.47Å; Y773-I780 HydrophobicContact CE2-CG1 4.33Å
774	N	92	Very high	91.2	Very high	24 Å²	24	34.7 Å²	34.7	13%	0.128	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	127.4	175.7	-179.7	-97.2	0	0	0	111.3	P759 F760 G776 T777 H778 A779	P759-N774 WeakPolarHBondContact O-CA 3.48Å; P759-N774 PolarHBondContact O-ND2 3.07Å; F760-N774 HydrophobicContact CD1-CB 3.93Å; F760-N774 HydrophobicContact CE1-CB 3.78Å; F760-N774 VanDerWaalsContact CE1-ND2 3.29Å; F760-N774 WeakPolarHBondContact CE1-ND2 3.31Å; N774-G776 PolarHBondContact O-N 2.93Å; N774-G776 PolarHBondContact OD1-N 2.76Å; N774-T777 WeakPolarHBondContact CB-OG1 3.41Å; N774-T777 VanDerWaalsContact CG-OG1 3.31Å; N774-T777 WeakPolarHBondContact OD1-CB 3.05Å; N774-T777 PolarHBondContact OD1-N 3.08Å; N774-T777 PolarHBondContact OD1-OG1 3.23Å; N774-H778 WeakPolarHBondContact O-CA 3.09Å; N774-H778 PolarHBondContact O-N 3.28Å; N774-A779 HydrophobicContact CB-CB 4.44Å; N774-A779 PolarHBondContact N-O 3Å
775	L	90	Very high	90.5	Very high	31 Å²	31	42 Å²	42	16%	0.162	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-39.7	-170.2	-53.1	175.9	0	0	0	113.3	Y719 P759 I761 Y773	Y719-L775 HydrophobicContact CE1-CD2 4.23Å; Y719-L775 HydrophobicContact CE2-CD2 4.05Å; Y719-L775 WeakPolarHBondContact OH-CD2 3.28Å; P759-L775 PolarHBondContact O-N 2.79Å; I761-L775 HydrophobicContact CB-CD2 4.26Å; I761-L775 HydrophobicContact CD1-CD2 3.55Å; I761-L775 HydrophobicContact CG1-CD2 3.7Å; Y773-L775 HydrophobicContact CD1-CD2 4.01Å; Y773-L775 HydrophobicContact CE1-CD2 4.25Å
776	G	86.5	Confident	89.4	Confident	68 Å²	68	45.2 Å²	45.2	70%	0.701	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.4	-14	-175.9	0	0	0	0	0	115.8	N774	N774-G776 PolarHBondContact O-N 2.93Å; N774-G776 PolarHBondContact OD1-N 2.76Å
777	T	90.2	Very high	87.7	Confident	93 Å²	93	47.9 Å²	47.9	57%	0.571	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-121.3	-6.4	-179.5	61.7	0	0	0	0	113.5	N774 A779	N774-T777 WeakPolarHBondContact CB-OG1 3.41Å; N774-T777 VanDerWaalsContact CG-OG1 3.31Å; N774-T777 WeakPolarHBondContact OD1-CB 3.05Å; N774-T777 PolarHBondContact OD1-N 3.08Å; N774-T777 PolarHBondContact OD1-OG1 3.23Å; T777-A779 PolarHBondContact O-N 2.57Å; T777-A779 VanDerWaalsContact OG1-CB 3.3Å; T777-A779 WeakPolarHBondContact OG1-CB 3.49Å; T777-A779 PolarHBondContact OG1-N 2.79Å
778	H	91	Very high	85.5	Confident	59 Å²	59	52.4 Å²	52.4	27%	0.273	30%	0.301	S	S	.	.			trans	51.8	18.4	-168.8	-40.6	-75.3	0	0	0	114.1	E729 H739 Y773 N774	E729-H778 IonicContact OE1-CE1 2.68Å; E729-H778 PolarHBondContact OE1-CE1 2.79Å; E729-H778 IonicContact OE1-ND1 3.77Å; E729-H778 IonicContact OE2-CE1 2.64Å; E729-H778 PolarHBondContact OE2-CE1 2.94Å; E729-H778 IonicContact OE2-ND1 2.74Å; E729-H778 PolarHBondContact OE2-ND1 3Å; E729-H778 VanDerWaalsContact OE2-ND1 3.1Å; H739-H778 VanDerWaalsContact CE1-CB 3.49Å; H739-H778 WeakPolarHBondContact CE1-CB 3.31Å; H739-H778 AromaticContact CG-CG 3.77Å; H739-H778 AromaticContact CG-ND1 3.77Å; H739-H778 WeakPolarHBondContact ND1-CB 3.32Å; H739-H778 AromaticContact ND1-CD2 3.98Å; H739-H778 AromaticContact ND1-CG 3.52Å; H739-H778 AromaticContact ND1-ND1 3.99Å; Y773-H778 HydrophobicContact CE2-CB 4.03Å; Y773-H778 AromaticContact CZ-ND1 3.86Å; Y773-H778 PolarHBondContact OH-ND1 3.08Å; N774-H778 WeakPolarHBondContact O-CA 3.09Å; N774-H778 PolarHBondContact O-N 3.28Å
779	A	90.3	Very high	82.8	Confident	54 Å²	54	54.3 Å²	54.3	45%	0.446	32%	0.321	S	S	.	.			trans	-74.2	133.3	-177.7	0	0	0	0	0	111.3	N774 T777	N774-A779 HydrophobicContact CB-CB 4.44Å; N774-A779 PolarHBondContact N-O 3Å; T777-A779 PolarHBondContact O-N 2.57Å; T777-A779 VanDerWaalsContact OG1-CB 3.3Å; T777-A779 WeakPolarHBondContact OG1-CB 3.49Å; T777-A779 PolarHBondContact OG1-N 2.79Å
780	I	92.1	Very high	80.3	Confident	58 Å²	58	56.9 Å²	56.9	30%	0.297	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	118.3	-179	-68.4	153.2	0	0	0	109.6	N741 F743 L771 Y773	N741-I780 HydrophobicContact CB-CD1 4.4Å; N741-I780 VanDerWaalsContact ND2-CD1 3.27Å; N741-I780 WeakPolarHBondContact ND2-CD1 3.09Å; F743-I780 HydrophobicContact CE1-CD1 3.92Å; F743-I780 HydrophobicContact CE1-CG2 4.32Å; F743-I780 HydrophobicContact CZ-CD1 3.84Å; L771-I780 HydrophobicContact CB-CG2 4.33Å; L771-I780 HydrophobicContact CD1-CG2 4.04Å; L771-I780 HydrophobicContact CD2-CG2 4.45Å; Y773-I780 HydrophobicContact CD2-CD1 4.14Å; Y773-I780 HydrophobicContact CD2-CG1 3.63Å; Y773-I780 HydrophobicContact CE2-CD1 4.47Å; Y773-I780 HydrophobicContact CE2-CG1 4.33Å
781	G	88.8	Confident	77.9	Confident	33 Å²	33	63.8 Å²	63.8	34%	0.34	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	148.1	167.3	0	0	0	0	0	111.2	L771 R772	L771-G781 CarbonylContact C-O 3.58Å; L771-G781 WeakPolarHBondContact CA-O 3.17Å; R772-G781 PolarHBondContact N-O 3.43Å; R772-G781 PolarHBondContact O-N 2.88Å
782	F	90.2	Very high	75	Confident	93 Å²	93	72.5 Å²	72.5	41%	0.408	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	125.3	162.1	-74.2	-102.1	0	0	0	108.3	D769 L771 R785	D769-F782 HydrophobicContact CB-CD1 4.48Å; D769-F782 HydrophobicContact CB-CE1 4.27Å; L771-F782 HydrophobicContact CD2-CB 4.33Å; L771-F782 HydrophobicContact CD2-CD1 3.38Å; L771-F782 HydrophobicContact CD2-CD2 3.99Å; L771-F782 HydrophobicContact CD2-CE1 3.58Å; L771-F782 HydrophobicContact CD2-CE2 4.14Å; L771-F782 HydrophobicContact CD2-CG 3.64Å; L771-F782 HydrophobicContact CD2-CZ 3.95Å; F782-R785 HydrophobicContact CB-CG 4.25Å; F782-R785 HydrophobicContact CD1-CG 3.29Å; F782-R785 VanDerWaalsContact CD1-NE 3.28Å; F782-R785 HydrophobicContact CE1-CG 3.81Å; F782-R785 HydrophobicContact CG-CG 3.98Å
783	L	88.5	Confident	72.2	Confident	19 Å²	19	72.8 Å²	72.8	10%	0.099	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	-39.5	169.7	-169.3	79.4	0	0	0	110.3	F762 I770 L833	F762-L783 HydrophobicContact CD1-CD2 3.91Å; F762-L783 HydrophobicContact CE1-CD1 4.29Å; F762-L783 HydrophobicContact CE1-CD2 3.85Å; I770-L783 HydrophobicContact CB-CB 4.45Å; I770-L783 HydrophobicContact CG2-CB 4.16Å; I770-L783 HydrophobicContact CG2-CD2 4.06Å; I770-L783 PolarHBondContact O-N 3.42Å; L783-L833 HydrophobicContact CD2-CD2 3.75Å
784	C	86.1	Confident	69.6	Low	32 Å²	32	78 Å²	78	22%	0.216	45%	0.447	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	146.5	171.8	-161.3	0	0	0	0	109.2	I770	I770-C784 HydrophobicContact CB-CB 4.11Å; I770-C784 HydrophobicContact CD1-CB 4.04Å; I770-C784 HydrophobicContact CG1-CB 4.19Å; I770-C784 PolarHBondContact N-O 3.04Å; I770-C784 PolarHBondContact O-N 2.67Å; I770-C784 VanDerWaalsContact O-N 3.12Å
785	R	80.8	Confident	67	Low	153 Å²	153	85.2 Å²	85.2	58%	0.577	48%	0.478	S	S	*	.			trans	-113.2	136.5	169.6	-79.9	-177.9	-179.4	140.9	0.7	109.8	D769 F782 T787	D769-R785 WeakPolarHBondContact OD1-CA 3.27Å; F782-R785 HydrophobicContact CB-CG 4.25Å; F782-R785 HydrophobicContact CD1-CG 3.29Å; F782-R785 VanDerWaalsContact CD1-NE 3.28Å; F782-R785 HydrophobicContact CE1-CG 3.81Å; F782-R785 HydrophobicContact CG-CG 3.98Å; R785-T787 PolarHBondContact O-N 3.33Å
786	H	70.5	Confident	64.1	Low	70 Å²	70	89.6 Å²	89.6	32%	0.324	51%	0.508	S	S	.	.			trans	-73.6	113	169.8	174.1	-136.6	0	0	0	109.5	N767 D769	N767-H786 WeakPolarHBondContact O-CB 3.21Å; N767-H786 PolarHBondContact O-ND1 3.16Å; D769-H786 PolarHBondContact OD1-N 3.34Å
787	T	55.6	Low	61.4	Low	75 Å²	75	93.3 Å²	93.3	46%	0.46	51%	0.512	S	S	.	.			trans	-114.6	132.5	168.2	56.1	0	0	0	0	108.7	R785 G789 C790	R785-T787 PolarHBondContact O-N 3.33Å; T787-G789 PolarHBondContact O-N 3.43Å; T787-C790 PolarHBondContact O-N 2.92Å; T787-C790 PolarHBondContact OG1-SG 3.34Å
788	T	44.3	Very low	58.8	Low	142 Å²	142	92.6 Å²	92.6	87%	0.871	50%	0.504	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.3	25.2	-170.2	45.1	0	0	0	0	115
789	G	33.6	Very low	56.3	Low	49 Å²	49	98.8 Å²	98.8	51%	0.505	53%	0.53	S	S	.	.	T	Hydrogen-bonded Turn	trans	-144	-4.7	177.5	0	0	0	0	0	115.7	T787 Y791 Q792	T787-G789 PolarHBondContact O-N 3.43Å; G789-Y791 PolarHBondContact O-N 2.94Å; G789-Y791 VanDerWaalsContact O-N 3.08Å; G789-Q792 PolarHBondContact O-N 3.21Å
790	C	39.4	Very low	53.8	Low	69 Å²	69	101.3 Å²	101.3	47%	0.466	54%	0.541	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-8.9	-172.7	-98.8	0	0	0	0	115.5	T787 Q792	T787-C790 PolarHBondContact O-N 2.92Å; T787-C790 PolarHBondContact OG1-SG 3.34Å; C790-Q792 PolarHBondContact O-N 2.72Å
791	Y	44.3	Very low	51.1	Low	147 Å²	147	104.9 Å²	104.9	58%	0.576	55%	0.554	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76	6.4	172.1	-77.5	-59.4	0	0	0	114.7	G789 D839 S841	G789-Y791 PolarHBondContact O-N 2.94Å; G789-Y791 VanDerWaalsContact O-N 3.08Å; Y791-D839 WeakPolarHBondContact CE2-OD2 3.47Å; Y791-D839 PolarHBondContact OH-OD2 2.87Å; Y791-S841 PolarHBondContact OH-OG 2.85Å
792	Q	33.7	Very low	48.4	Very low	186 Å²	186	108.8 Å²	108.8	87%	0.869	57%	0.571	S	S	*	*	T	Hydrogen-bonded Turn	trans	-125.9	-9.9	-178.3	-65.7	-170.2	-1.1	0	0	116.4	G789 C790	G789-Q792 PolarHBondContact O-N 3.21Å; C790-Q792 PolarHBondContact O-N 2.72Å
793	S	33.5	Very low	45.6	Very low	73 Å²	73	109.3 Å²	109.3	51%	0.51	59%	0.586	S	S	.	*	T	Hydrogen-bonded Turn	trans	-94.7	-36.1	-167	44.9	0	0	0	0	116.1	F795	S793-F795 VanDerWaalsContact C-N 3.34Å; S793-F795 PolarHBondContact O-N 3.19Å
794	D	39.4	Very low	43.1	Very low	109 Å²	109	114.9 Å²	114.9	58%	0.583	61%	0.614	S	S	*	*	S	Bend	trans	-89.4	7.7	-152.9	-64.3	9.1	0	0	0	115
795	F	38.3	Very low	40.4	Very low	177 Å²	177	120.9 Å²	120.9	78%	0.776	64%	0.637	S	S	*	*			trans	-124.4	94.9	-179.5	-75.7	-79.1	0	0	0	113.5	S793 N797	S793-F795 VanDerWaalsContact C-N 3.34Å; S793-F795 PolarHBondContact O-N 3.19Å; F795-N797 PolarHBondContact O-N 2.94Å
796	P	30	Very low	38.2	Very low	122 Å²	122	121.9 Å²	121.9	79%	0.792	65%	0.648	S	S	*	*			trans	-74.5	115.6	166.7	30.1	-31.9	0	0	0	110.7
797	N	28.8	Very low	36.4	Very low	146 Å²	146	124.6 Å²	124.6	78%	0.781	66%	0.661	S	S	*	*			trans	58.3	92.1	174.9	-78.7	-18.6	0	0	0	117.7	F795	F795-N797 PolarHBondContact O-N 2.94Å
798	D	34.9	Very low	35.2	Very low	78 Å²	78	125.5 Å²	125.5	42%	0.417	67%	0.67	S	S	.	*			trans	-139.8	169	133	-155.5	2.9	0	0	0	111.8	Q40 T800	Q40-D798 PolarHBondContact NE2-OD1 2.92Å; D798-T800 VanDerWaalsContact C-N 3.28Å; D798-T800 PolarHBondContact O-N 2.98Å
799	K	39.7	Very low	34.5	Very low	189 Å²	189	127.4 Å²	127.4	82%	0.822	67%	0.669	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.6	6.1	-168.6	-67.7	173.3	-179.8	169.2	0	114.6	K801	K799-K801 PolarHBondContact O-N 3.39Å; K799-K801 VanDerWaalsContact O-N 3.1Å
800	T	37.7	Very low	34.3	Very low	108 Å²	108	129.8 Å²	129.8	66%	0.663	67%	0.674	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.5	1.7	178.6	50.3	0	0	0	0	114.8	D798 T802 C803	D798-T800 VanDerWaalsContact C-N 3.28Å; D798-T800 PolarHBondContact O-N 2.98Å; T800-T802 PolarHBondContact O-N 3.29Å; T800-C803 PolarHBondContact O-N 2.78Å
801	K	35.1	Very low	33.7	Very low	133 Å²	133	132 Å²	132	58%	0.578	69%	0.688	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.2	9.2	-178.4	-68.5	-178.4	175.3	177.9	0	116.2	K799	K799-K801 PolarHBondContact O-N 3.39Å; K799-K801 VanDerWaalsContact O-N 3.1Å
802	T	31.7	Very low	33	Very low	114 Å²	114	132.2 Å²	132.2	70%	0.699	70%	0.699	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99	-25.3	179.2	44.4	0	0	0	0	114.3	T800	T800-T802 PolarHBondContact O-N 3.29Å
803	C	32	Very low	32.9	Very low	105 Å²	105	127 Å²	127	71%	0.709	68%	0.683	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.7	-42.2	-177.1	-156.1	0	0	0	0	112.6	T800 K805	T800-C803 PolarHBondContact O-N 2.78Å; C803-K805 VanDerWaalsContact C-N 3.28Å; C803-K805 PolarHBondContact O-N 2.94Å
804	L	35	Very low	32.8	Very low	135 Å²	135	131.7 Å²	131.7	71%	0.707	70%	0.703	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77	-3.8	-178.7	-87.9	157.5	0	0	0	115.1
805	K	31.3	Very low	33.3	Very low	158 Å²	158	132 Å²	132	69%	0.687	70%	0.701	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.8	-1	178.6	-80.5	-166.8	172.2	-167.6	0	114.9	C803	C803-K805 VanDerWaalsContact C-N 3.28Å; C803-K805 PolarHBondContact O-N 2.94Å
806	Q	32.8	Very low	34	Very low	175 Å²	175	126.4 Å²	126.4	82%	0.818	68%	0.683	S	S	*	*	S	Bend	trans	-103.3	-0.4	178.3	-73.4	-172.9	-35.9	0	0	114.4
807	Q	33.3	Very low	35.9	Very low	127 Å²	127	121.1 Å²	121.1	59%	0.593	65%	0.65	S	S	*	*	S	Bend	trans	-107.4	-6.2	172.9	-72.8	-179.5	-46.6	0	0	113.7	Q809	Q807-Q809 PolarHBondContact O-N 3.01Å
808	S	31.3	Very low	38.8	Very low	93 Å²	93	114.2 Å²	114.2	65%	0.65	61%	0.613	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.6	35.6	179.2	66.8	0	0	0	0	114
809	Q	28.4	Very low	41.5	Very low	182 Å²	182	111 Å²	111	85%	0.85	60%	0.596	S	S	*	*	T	Hydrogen-bonded Turn	trans	-141.2	27	179.7	-70.1	-164.9	-15.1	0	0	113.7	Q807	Q807-Q809 PolarHBondContact O-N 3.01Å
810	T	28.9	Very low	44	Very low	100 Å²	100	102.8 Å²	102.8	61%	0.613	56%	0.561	S	S	*	*			trans	-133.9	112.2	165.2	47.1	0	0	0	0	108.8	D812	T810-D812 VanDerWaalsContact C-N 3.33Å; T810-D812 PolarHBondContact O-N 3.19Å
811	P	28	Very low	46.6	Very low	116 Å²	116	98.6 Å²	98.6	75%	0.753	54%	0.536	S	S	*	.			trans	-82.8	-3.2	-173.2	32	-33.3	0	0	0	114.7
812	D	28.8	Very low	49.4	Very low	150 Å²	150	92.8 Å²	92.8	80%	0.802	51%	0.512	S	S	*	.			trans	-106.5	27.9	-159.5	-53.8	-60.9	0	0	0	115.5	T810	T810-D812 VanDerWaalsContact C-N 3.33Å; T810-D812 PolarHBondContact O-N 3.19Å
813	S	31.5	Very low	52.3	Low	77 Å²	77	88.4 Å²	88.4	54%	0.538	49%	0.485	S	S	.	.			trans	-129.4	81.6	-178.7	66.9	0	0	0	0	114.1	E815	S813-E815 PolarHBondContact O-N 3.45Å
814	N	32.2	Very low	55.1	Low	172 Å²	172	84.2 Å²	84.2	92%	0.92	46%	0.456	S	S	*	.			trans	-74.8	61.1	165.6	-75.7	-32	0	0	0	111.2	S816	N814-S816 PolarHBondContact O-N 3.39Å; N814-S816 VanDerWaalsContact O-N 3.12Å
815	E	49.5	Very low	57.7	Low	116 Å²	116	78.7 Å²	78.7	54%	0.542	43%	0.428	S	S	.	.			trans	-67.3	109.2	172.4	-75	-173.2	132.1	0	0	109.7	S813 A817 R840	S813-E815 PolarHBondContact O-N 3.45Å; E815-A817 PolarHBondContact O-N 2.6Å; E815-R840 VanDerWaalsContact CD-NH1 3.34Å; E815-R840 IonicContact OE1-CZ 3.42Å; E815-R840 IonicContact OE1-NH1 3.34Å; E815-R840 PolarHBondContact OE1-NH1 2.82Å; E815-R840 IonicContact OE1-NH2 2.74Å; E815-R840 IonicContact OE2-CZ 2.69Å; E815-R840 IonicContact OE2-NH1 3.96Å; E815-R840 PolarHBondContact OE2-NH1 2.98Å; E815-R840 VanDerWaalsContact OE2-NH1 3.11Å; E815-R840 IonicContact OE2-NH2 3.82Å; E815-R840 PolarHBondContact OE2-NH2 3.34Å
816	S	54.1	Low	60.2	Low	58 Å²	58	75.4 Å²	75.4	41%	0.406	42%	0.415	S	S	.	.			trans	-66.5	129.8	-177.2	-176.5	0	0	0	0	111.9	N814 G818 L838	N814-S816 PolarHBondContact O-N 3.39Å; N814-S816 VanDerWaalsContact O-N 3.12Å; S816-G818 PolarHBondContact O-N 2.68Å; S816-L838 VanDerWaalsContact O-CB 3.28Å; S816-L838 WeakPolarHBondContact O-CB 3.09Å
817	A	70	Confident	62.5	Low	12 Å²	12	67.3 Å²	67.3	10%	0.099	38%	0.377	C	S	.	.			trans	-77.9	36.3	178.4	0	0	0	0	0	113.7	G768 E815	G768-A817 WeakPolarHBondContact CA-O 3.24Å; E815-A817 PolarHBondContact O-N 2.6Å
818	G	87.9	Confident	64.6	Low	0 Å²	0	62 Å²	62	0%	0	36%	0.356	C	S	.	.			trans	-62.4	140.9	-178.3	0	0	0	0	0	113	F766 S816 L838	F766-G818 WeakPolarHBondContact O-CA 3.41Å; S816-G818 PolarHBondContact O-N 2.68Å; G818-L838 WeakPolarHBondContact O-CG 3.27Å; G818-L838 PolarHBondContact O-N 3.23Å
819	I	92.3	Very high	66.9	Low	11 Å²	11	63.8 Å²	63.8	6%	0.056	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	137.3	176.5	-51.6	-48.4	0	0	0	109.6	A748 A749 L765 I770 L822 V835	A748-I819 WeakPolarHBondContact CB-O 3.48Å; A749-I819 HydrophobicContact CB-CG2 4.17Å; L765-I819 PolarHBondContact O-N 2.94Å; I770-I819 HydrophobicContact CG1-CD1 4.43Å; I770-I819 HydrophobicContact CG1-CG1 4.48Å; I819-L822 HydrophobicContact CG2-CD2 4.04Å; I819-L822 HydrophobicContact CG2-CG 4.24Å; I819-V835 HydrophobicContact CD1-CG1 3.69Å; I819-V835 HydrophobicContact CG1-CG1 4.47Å; I819-V835 HydrophobicContact CG2-CG1 4.1Å
820	T	91.6	Very high	69.6	Low	17 Å²	17	57.1 Å²	57.1	10%	0.104	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	-35.1	175.8	60.5	0	0	0	0	113	M156 A836 L838 P865	M156-T820 WeakPolarHBondContact CE-O 3.34Å; T820-A836 PolarHBondContact N-O 2.95Å; T820-A836 WeakPolarHBondContact OG1-CB 3.25Å; T820-A836 PolarHBondContact OG1-O 3.08Å; T820-L838 HydrophobicContact CG2-CD2 3.54Å; T820-L838 HydrophobicContact CG2-CG 3.7Å; T820-P865 WeakPolarHBondContact CB-O 3.36Å; T820-P865 PolarHBondContact OG1-O 3.45Å
821	S	92.7	Very high	72.4	Confident	19 Å²	19	53.7 Å²	53.7	13%	0.133	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	151.9	-178.7	-165.3	0	0	0	0	112	A836 I868	S821-A836 PolarHBondContact O-N 3.01Å; S821-I868 PolarHBondContact OG-N 3.42Å
822	L	94.5	Very high	75.4	Confident	12 Å²	12	48.5 Å²	48.5	6%	0.063	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	145.2	173.3	-66.1	178.1	0	0	0	109.2	A749 A751 F762 I819 L833 I834 V835	A749-L822 HydrophobicContact CB-CB 4.19Å; A749-L822 HydrophobicContact CB-CD1 4.15Å; A749-L822 HydrophobicContact CB-CG 3.74Å; A751-L822 HydrophobicContact CB-CB 3.59Å; A751-L822 HydrophobicContact CB-CD1 4.2Å; F762-L822 HydrophobicContact CB-CD1 4.28Å; I819-L822 HydrophobicContact CG2-CD2 4.04Å; I819-L822 HydrophobicContact CG2-CG 4.24Å; L822-L833 HydrophobicContact CB-CD1 4.34Å; L822-L833 HydrophobicContact CD2-CD1 4.18Å; L822-L833 HydrophobicContact CD2-CD2 4.32Å; L822-L833 HydrophobicContact CD2-CG 4.29Å; L822-I834 CarbonylContact C-O 3.5Å; L822-I834 WeakPolarHBondContact CA-O 3.22Å; L822-V835 HydrophobicContact CD2-CB 4.04Å; L822-V835 HydrophobicContact CD2-CG1 3.84Å; L822-V835 HydrophobicContact CD2-CG2 3.75Å
823	C	92.4	Very high	78.5	Confident	22 Å²	22	41.3 Å²	41.3	15%	0.149	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	144.6	161.9	-172.8	0	0	0	0	109.5	I834 I868 C870	C823-I834 PolarHBondContact N-O 3.1Å; C823-I834 PolarHBondContact O-N 2.87Å; C823-I868 HydrophobicContact CB-CB 4.48Å; C823-I868 HydrophobicContact CB-CG2 3.64Å; C823-C870 WeakPolarHBondContact CB-SG 3.1Å; C823-C870 WeakPolarHBondContact SG-CB 3.44Å; C823-C870 PolarHBondContact SG-N 3.43Å; C823-C870 CovalentContact SG-SG 2.06Å; C823-C870 PolarHBondContact SG-SG 2.91Å
824	L	91.4	Very high	81.4	Confident	17 Å²	17	37.7 Å²	37.7	9%	0.089	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	137.3	169.7	-76.2	164.7	0	0	0	109.7	A751 V752 A753 F762 L831 L832 L833 A847 C870	A751-L824 HydrophobicContact CB-CD1 4.17Å; A751-L824 HydrophobicContact CB-CG 4.14Å; V752-L824 VanDerWaalsContact C-CD1 3.44Å; A753-L824 HydrophobicContact CB-CD1 4.29Å; F762-L824 HydrophobicContact CD2-CD1 3.77Å; F762-L824 HydrophobicContact CD2-CD2 4.17Å; F762-L824 HydrophobicContact CD2-CG 4.44Å; F762-L824 HydrophobicContact CE2-CD1 4.05Å; F762-L824 HydrophobicContact CE2-CD2 4.15Å; L824-L831 HydrophobicContact CB-CD1 4.35Å; L824-L831 HydrophobicContact CD2-CD1 4.32Å; L824-L831 HydrophobicContact CD2-CD2 4.02Å; L824-L831 HydrophobicContact CD2-CG 3.95Å; L824-L832 WeakPolarHBondContact CA-O 3.25Å; L824-L833 HydrophobicContact CD2-CB 4.03Å; L824-L833 HydrophobicContact CD2-CD1 3.63Å; L824-L833 HydrophobicContact CD2-CG 4.45Å; L824-L833 HydrophobicContact CG-CD1 3.93Å; L824-A847 HydrophobicContact CD2-CB 4.01Å; L824-C870 PolarHBondContact O-SG 3Å
825	V	88.1	Confident	84.3	Confident	19 Å²	19	29.6 Å²	29.6	12%	0.115	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	134.7	170.9	65.3	0	0	0	0	110.4	L832 I834 C870 W890	V825-L832 HydrophobicContact CG1-CB 3.89Å; V825-L832 PolarHBondContact N-O 2.9Å; V825-L832 PolarHBondContact O-N 2.84Å; V825-I834 HydrophobicContact CG1-CD1 4.09Å; V825-I834 HydrophobicContact CG1-CG1 4.34Å; V825-C870 HydrophobicContact CB-CB 4.36Å; V825-W890 HydrophobicContact CG1-CD2 4.12Å; V825-W890 HydrophobicContact CG1-CG 4.21Å; V825-W890 HydrophobicContact CG2-CZ2 4.05Å
826	Q	84	Confident	86.4	Confident	89 Å²	89	24.1 Å²	24.1	42%	0.416	15%	0.148	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	132.6	175.2	-174.3	169.3	-6.3	0	0	110.2	G828 L831	Q826-G828 WeakPolarHBondContact CG-O 3.32Å; Q826-G828 PolarHBondContact NE2-O 2.84Å; Q826-L831 HydrophobicContact CB-CD1 4.34Å
827	S	81.1	Confident	88.1	Confident	4 Å²	4	21.5 Å²	21.5	3%	0.028	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	77.2	-175.6	-178.3	0	0	0	0	108.7	Y49 T829 S830 W890	Y49-S827 VanDerWaalsContact CE1-OG 3.3Å; Y49-S827 WeakPolarHBondContact CE1-OG 3.35Å; Y49-S827 VanDerWaalsContact CZ-OG 3.24Å; Y49-S827 PolarHBondContact OH-OG 3.14Å; S827-T829 PolarHBondContact O-N 2.87Å; S827-S830 PolarHBondContact N-O 2.79Å; S827-S830 PolarHBondContact O-N 2.83Å; S827-W890 VanDerWaalsContact CB-CH2 3.45Å; S827-W890 WeakPolarHBondContact OG-CH2 3.41Å; S827-W890 WeakPolarHBondContact OG-CZ3 3.25Å
828	G	78	Confident	89	Confident	15 Å²	15	22.7 Å²	22.7	16%	0.155	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.4	-125.7	-165.7	0	0	0	0	0	111.1	Y79 Q826 S830	Y79-G828 VanDerWaalsContact OH-CA 3.26Å; Y79-G828 WeakPolarHBondContact OH-CA 3.37Å; Y79-G828 PolarHBondContact OH-N 3.37Å; Q826-G828 WeakPolarHBondContact CG-O 3.32Å; Q826-G828 PolarHBondContact NE2-O 2.84Å; G828-S830 VanDerWaalsContact C-N 3.29Å
829	T	80.9	Confident	88.8	Confident	132 Å²	132	23.6 Å²	23.6	81%	0.81	14%	0.14	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.9	-9	175.4	54.3	0	0	0	0	113.7	S827	S827-T829 PolarHBondContact O-N 2.87Å
830	S	83.3	Confident	88.6	Confident	41 Å²	41	24.5 Å²	24.5	29%	0.287	14%	0.142	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	128	-179.8	-63	0	0	0	0	111.3	S827 G828	S827-S830 PolarHBondContact N-O 2.79Å; S827-S830 PolarHBondContact O-N 2.83Å; G828-S830 VanDerWaalsContact C-N 3.29Å
831	L	88.7	Confident	88.4	Confident	29 Å²	29	23.9 Å²	23.9	15%	0.152	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	124.6	172	-172.6	70	0	0	0	109.4	A753 V758 L824 Q826 A847	A753-L831 HydrophobicContact CB-CD2 4.35Å; V758-L831 HydrophobicContact CG1-CD2 3.88Å; V758-L831 HydrophobicContact CG2-CD2 4.41Å; L824-L831 HydrophobicContact CB-CD1 4.35Å; L824-L831 HydrophobicContact CD2-CD1 4.32Å; L824-L831 HydrophobicContact CD2-CD2 4.02Å; L824-L831 HydrophobicContact CD2-CG 3.95Å; Q826-L831 HydrophobicContact CB-CD1 4.34Å; L831-A847 HydrophobicContact CB-CB 4.11Å; L831-A847 HydrophobicContact CD2-CB 3.94Å; L831-A847 HydrophobicContact CG-CB 3.88Å; L831-A847 VanDerWaalsContact O-CB 3.23Å; L831-A847 WeakPolarHBondContact O-CB 3.47Å; L831-A847 PolarHBondContact O-N 3.22Å
832	L	90.8	Very high	88.4	Confident	6 Å²	6	23 Å²	23	3%	0.031	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	136.7	-178.2	-53	-176.1	0	0	0	110.5	L824 V825 R845 M853 W890	L824-L832 WeakPolarHBondContact CA-O 3.25Å; V825-L832 HydrophobicContact CG1-CB 3.89Å; V825-L832 PolarHBondContact N-O 2.9Å; V825-L832 PolarHBondContact O-N 2.84Å; L832-R845 CarbonylContact C-O 3.57Å; L832-R845 VanDerWaalsContact CA-O 3.31Å; L832-R845 WeakPolarHBondContact CA-O 3.14Å; L832-M853 HydrophobicContact CD1-SD 4.42Å; L832-M853 HydrophobicContact CD2-CE 4.48Å; L832-M853 HydrophobicContact CD2-SD 3.47Å; L832-M853 WeakPolarHBondContact CD2-SD 3.25Å; L832-W890 HydrophobicContact CD1-CE3 3.66Å; L832-W890 HydrophobicContact CD1-CZ3 3.78Å
833	L	92.9	Very high	88.2	Confident	0 Å²	0	22.7 Å²	22.7	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	117.1	174.3	-175.2	71	0	0	0	109.2	A751 F762 I770 L783 L822 L824 V835 R845 A847	A751-L833 HydrophobicContact CB-CD1 4.25Å; F762-L833 HydrophobicContact CB-CD1 4.12Å; F762-L833 HydrophobicContact CB-CD2 4.42Å; F762-L833 HydrophobicContact CD1-CD2 4.05Å; F762-L833 HydrophobicContact CG-CD1 4.26Å; F762-L833 HydrophobicContact CG-CD2 4.41Å; I770-L833 HydrophobicContact CG2-CD2 3.77Å; L783-L833 HydrophobicContact CD2-CD2 3.75Å; L822-L833 HydrophobicContact CB-CD1 4.34Å; L822-L833 HydrophobicContact CD2-CD1 4.18Å; L822-L833 HydrophobicContact CD2-CD2 4.32Å; L822-L833 HydrophobicContact CD2-CG 4.29Å; L824-L833 HydrophobicContact CD2-CB 4.03Å; L824-L833 HydrophobicContact CD2-CD1 3.63Å; L824-L833 HydrophobicContact CD2-CG 4.45Å; L824-L833 HydrophobicContact CG-CD1 3.93Å; L833-V835 HydrophobicContact CD2-CG2 3.99Å; L833-V835 HydrophobicContact CG-CG2 3.89Å; L833-R845 PolarHBondContact N-O 2.94Å; L833-R845 PolarHBondContact O-N 2.81Å; L833-A847 HydrophobicContact CB-CB 4.33Å
834	I	93.4	Very high	88.2	Confident	0 Å²	0	21.7 Å²	21.7	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	127.3	173	-47.5	-177.6	0	0	0	107.9	L822 C823 V825 I842 I844 I868 F876 W890	L822-I834 CarbonylContact C-O 3.5Å; L822-I834 WeakPolarHBondContact CA-O 3.22Å; C823-I834 PolarHBondContact N-O 3.1Å; C823-I834 PolarHBondContact O-N 2.87Å; V825-I834 HydrophobicContact CG1-CD1 4.09Å; V825-I834 HydrophobicContact CG1-CG1 4.34Å; I834-I842 HydrophobicContact CG2-CG2 3.65Å; I834-I844 HydrophobicContact CG2-CG1 4.41Å; I834-I868 HydrophobicContact CB-CG2 4.33Å; I834-I868 HydrophobicContact CG2-CD1 3.69Å; I834-I868 HydrophobicContact CG2-CG2 4.02Å; I834-F876 HydrophobicContact CD1-CB 3.96Å; I834-F876 HydrophobicContact CD1-CD1 3.8Å; I834-F876 HydrophobicContact CD1-CD2 4.28Å; I834-F876 HydrophobicContact CD1-CE1 4.28Å; I834-F876 HydrophobicContact CD1-CG 3.76Å; I834-F876 HydrophobicContact CG2-CD2 4.19Å; I834-F876 HydrophobicContact CG2-CE2 3.9Å; I834-F876 HydrophobicContact CG2-CZ 4.08Å; I834-W890 HydrophobicContact CD1-CB 4.18Å
835	V	93.6	Very high	88.2	Confident	3 Å²	3	22.9 Å²	22.9	2%	0.018	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	122	-169.4	-174.3	0	0	0	0	109.9	I770 I819 L822 L833 I842 S843	I770-V835 HydrophobicContact CD1-CB 4.46Å; I770-V835 HydrophobicContact CD1-CG1 3.94Å; I770-V835 HydrophobicContact CD1-CG2 3.74Å; I819-V835 HydrophobicContact CD1-CG1 3.69Å; I819-V835 HydrophobicContact CG1-CG1 4.47Å; I819-V835 HydrophobicContact CG2-CG1 4.1Å; L822-V835 HydrophobicContact CD2-CB 4.04Å; L822-V835 HydrophobicContact CD2-CG1 3.84Å; L822-V835 HydrophobicContact CD2-CG2 3.75Å; L833-V835 HydrophobicContact CD2-CG2 3.99Å; L833-V835 HydrophobicContact CG-CG2 3.89Å; V835-I842 CarbonylContact O-C 3.54Å; V835-I842 VanDerWaalsContact O-CA 3.24Å; V835-I842 WeakPolarHBondContact O-CA 3.47Å; V835-S843 PolarHBondContact N-O 2.96Å; V835-S843 PolarHBondContact O-N 3.38Å
836	A	92.2	Very high	88.3	Confident	0 Å²	0	22.8 Å²	22.8	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	134.9	171.3	0	0	0	0	0	111.3	T820 S821 P865 I868	T820-A836 PolarHBondContact N-O 2.95Å; T820-A836 WeakPolarHBondContact OG1-CB 3.25Å; T820-A836 PolarHBondContact OG1-O 3.08Å; S821-A836 PolarHBondContact O-N 3.01Å; A836-P865 HydrophobicContact CB-CB 3.85Å; A836-P865 HydrophobicContact CB-CG 3.59Å; A836-I868 HydrophobicContact CB-CD1 3.51Å; A836-I868 HydrophobicContact CB-CG1 3.84Å
837	G	90.7	Very high	88.6	Confident	3 Å²	3	18.7 Å²	18.7	3%	0.031	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	152.7	179.4	0	0	0	0	0	114	D839 R840 S841 P865	G837-D839 PolarHBondContact O-N 3.11Å; G837-R840 PolarHBondContact O-N 2.91Å; G837-R840 VanDerWaalsContact O-N 3.16Å; G837-S841 PolarHBondContact N-O 3.47Å; G837-S841 VanDerWaalsContact N-O 3.1Å; G837-P865 WeakPolarHBondContact O-CD 3.47Å
838	L	88	Confident	89	Confident	37 Å²	37	22.5 Å²	22.5	19%	0.194	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-23.7	170.6	-77.3	177	0	0	0	113	F766 S816 G818 T820 R840 P864	F766-L838 HydrophobicContact CD2-CD1 4.43Å; F766-L838 HydrophobicContact CE2-CD1 3.69Å; F766-L838 HydrophobicContact CZ-CD1 3.97Å; S816-L838 VanDerWaalsContact O-CB 3.28Å; S816-L838 WeakPolarHBondContact O-CB 3.09Å; G818-L838 WeakPolarHBondContact O-CG 3.27Å; G818-L838 PolarHBondContact O-N 3.23Å; T820-L838 HydrophobicContact CG2-CD2 3.54Å; T820-L838 HydrophobicContact CG2-CG 3.7Å; L838-R840 PolarHBondContact O-N 2.86Å; L838-P864 HydrophobicContact CD2-CB 4.2Å; L838-P864 HydrophobicContact CD2-CG 4.13Å
839	D	85.3	Confident	89.4	Confident	19 Å²	19	26.2 Å²	26.2	10%	0.102	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	1.4	173	61.9	7.6	0	0	0	114.5	Y791 G837 S841 Q857	Y791-D839 WeakPolarHBondContact CE2-OD2 3.47Å; Y791-D839 PolarHBondContact OH-OD2 2.87Å; G837-D839 PolarHBondContact O-N 3.11Å; D839-S841 VanDerWaalsContact C-N 3.28Å; D839-S841 WeakPolarHBondContact OD1-CB 3.23Å; D839-S841 PolarHBondContact OD1-N 3.49Å; D839-S841 PolarHBondContact OD1-OG 2.82Å; D839-S841 PolarHBondContact OD2-OG 3.14Å; D839-Q857 PolarHBondContact O-NE2 3.42Å
840	R	86.6	Confident	89.7	Confident	30 Å²	30	20.2 Å²	20.2	11%	0.113	12%	0.117	C	C	.	.	S	Bend	trans	71.2	17.7	-177.4	-52	153.9	-68.5	-114.3	-11.4	113.7	E815 G837 L838 S858 K862	E815-R840 VanDerWaalsContact CD-NH1 3.34Å; E815-R840 IonicContact OE1-CZ 3.42Å; E815-R840 IonicContact OE1-NH1 3.34Å; E815-R840 PolarHBondContact OE1-NH1 2.82Å; E815-R840 IonicContact OE1-NH2 2.74Å; E815-R840 IonicContact OE2-CZ 2.69Å; E815-R840 IonicContact OE2-NH1 3.96Å; E815-R840 PolarHBondContact OE2-NH1 2.98Å; E815-R840 VanDerWaalsContact OE2-NH1 3.11Å; E815-R840 IonicContact OE2-NH2 3.82Å; E815-R840 PolarHBondContact OE2-NH2 3.34Å; G837-R840 PolarHBondContact O-N 2.91Å; G837-R840 VanDerWaalsContact O-N 3.16Å; L838-R840 PolarHBondContact O-N 2.86Å; R840-S858 PolarHBondContact O-N 3.48Å; R840-S858 PolarHBondContact O-OG 2.91Å; R840-K862 WeakPolarHBondContact CD-O 3.43Å; R840-K862 WeakPolarHBondContact CG-O 3.39Å
841	S	88.8	Confident	89.9	Confident	4 Å²	4	21.8 Å²	21.8	3%	0.028	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	155.5	171.3	77.4	0	0	0	0	112.4	Y791 G837 D839	Y791-S841 PolarHBondContact OH-OG 2.85Å; G837-S841 PolarHBondContact N-O 3.47Å; G837-S841 VanDerWaalsContact N-O 3.1Å; D839-S841 VanDerWaalsContact C-N 3.28Å; D839-S841 WeakPolarHBondContact OD1-CB 3.23Å; D839-S841 PolarHBondContact OD1-N 3.49Å; D839-S841 PolarHBondContact OD1-OG 2.82Å; D839-S841 PolarHBondContact OD2-OG 3.14Å
842	I	91.2	Very high	89.9	Confident	0 Å²	0	24.2 Å²	24.2	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	114.6	155.4	-58.6	179.2	0	0	0	107.9	I834 V835 C855 I856 P865 I868 F876 Y880 Y888	I834-I842 HydrophobicContact CG2-CG2 3.65Å; V835-I842 CarbonylContact O-C 3.54Å; V835-I842 VanDerWaalsContact O-CA 3.24Å; V835-I842 WeakPolarHBondContact O-CA 3.47Å; I842-C855 WeakPolarHBondContact O-CA 3.15Å; I842-I856 HydrophobicContact CB-CB 4.37Å; I842-I856 PolarHBondContact N-O 3.26Å; I842-I856 PolarHBondContact O-N 3.34Å; I842-P865 HydrophobicContact CD1-CB 4.4Å; I842-P865 HydrophobicContact CG1-CB 4.45Å; I842-P865 HydrophobicContact CG1-CG 4.16Å; I842-I868 HydrophobicContact CD1-CD1 4.03Å; I842-I868 HydrophobicContact CG1-CD1 4.2Å; I842-I868 HydrophobicContact CG2-CD1 3.67Å; I842-F876 HydrophobicContact CD1-CE2 4.13Å; I842-F876 HydrophobicContact CG2-CE2 3.96Å; I842-F876 HydrophobicContact CG2-CZ 4Å; I842-Y880 WeakPolarHBondContact CD1-OH 3.37Å; I842-Y888 HydrophobicContact CD1-CE2 4.27Å
843	S	91.5	Very high	89.6	Confident	6 Å²	6	27.9 Å²	27.9	4%	0.042	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	132.9	176.1	69.5	0	0	0	0	111.5	V835 R845	V835-S843 PolarHBondContact N-O 2.96Å; V835-S843 PolarHBondContact O-N 3.38Å; S843-R845 PolarHBondContact OG-NE 3.1Å; S843-R845 VanDerWaalsContact OG-NE 3.1Å
844	I	91.5	Very high	89.3	Confident	1 Å²	1	29.6 Å²	29.6	1%	0.005	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	119.9	176.3	-54.9	176.5	0	0	0	106.7	I834 M853 C854 I856 F876 W890	I834-I844 HydrophobicContact CG2-CG1 4.41Å; I844-M853 PolarHBondContact O-N 2.93Å; I844-C854 HydrophobicContact CB-CB 4.17Å; I844-C854 HydrophobicContact CD1-CB 4.18Å; I844-C854 HydrophobicContact CG1-CB 4.44Å; I844-C854 PolarHBondContact N-O 2.56Å; I844-C854 PolarHBondContact O-N 3.47Å; I844-I856 HydrophobicContact CD1-CD1 4.32Å; I844-F876 HydrophobicContact CD1-CE1 4.01Å; I844-F876 HydrophobicContact CD1-CZ 4.38Å; I844-W890 HydrophobicContact CD1-CB 3.93Å
845	R	91.8	Very high	89	Confident	42 Å²	42	32.1 Å²	32.1	16%	0.158	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	154.2	-170.8	-63.2	176.4	178.6	-92.8	2.7	111.7	L832 L833 S843 G850 T851 L852	L832-R845 CarbonylContact C-O 3.57Å; L832-R845 VanDerWaalsContact CA-O 3.31Å; L832-R845 WeakPolarHBondContact CA-O 3.14Å; L833-R845 PolarHBondContact N-O 2.94Å; L833-R845 PolarHBondContact O-N 2.81Å; S843-R845 PolarHBondContact OG-NE 3.1Å; S843-R845 VanDerWaalsContact OG-NE 3.1Å; R845-G850 PolarHBondContact NH1-O 2.78Å; R845-G850 VanDerWaalsContact NH1-O 3.09Å; R845-T851 CarbonylContact C-O 3.53Å; R845-T851 WeakPolarHBondContact CA-O 3.41Å; R845-T851 WeakPolarHBondContact CB-O 3.12Å; R845-L852 HydrophobicContact CG-CD1 4.17Å
846	S	90.5	Very high	88.6	Confident	17 Å²	17	32.8 Å²	32.8	12%	0.119	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	131.7	162.4	167.6	0	0	0	0	110.3	S848 D849 G850 T851	S846-S848 VanDerWaalsContact C-N 3.32Å; S846-S848 PolarHBondContact OG-N 3.33Å; S846-S848 PolarHBondContact OG-OG 3.2Å; S846-D849 WeakPolarHBondContact CB-OD1 3.44Å; S846-D849 PolarHBondContact OG-OD1 2.63Å; S846-G850 VanDerWaalsContact O-CA 3.23Å; S846-G850 WeakPolarHBondContact O-CA 3.38Å; S846-G850 PolarHBondContact O-N 3.34Å; S846-T851 VanDerWaalsContact CB-OG1 3.25Å; S846-T851 WeakPolarHBondContact CB-OG1 3.32Å; S846-T851 PolarHBondContact N-O 2.97Å
847	A	90.7	Very high	88.1	Confident	4 Å²	4	37.9 Å²	37.9	3%	0.033	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-12	178.5	0	0	0	0	0	113.5	F762 R772 L824 L831 L833	F762-A847 HydrophobicContact CE1-CB 4.16Å; F762-A847 WeakPolarHBondContact CE1-O 3.28Å; F762-A847 HydrophobicContact CE2-CB 4.43Å; F762-A847 HydrophobicContact CZ-CB 3.77Å; F762-A847 WeakPolarHBondContact CZ-O 3.21Å; R772-A847 PolarHBondContact NH1-O 2.82Å; L824-A847 HydrophobicContact CD2-CB 4.01Å; L831-A847 HydrophobicContact CB-CB 4.11Å; L831-A847 HydrophobicContact CD2-CB 3.94Å; L831-A847 HydrophobicContact CG-CB 3.88Å; L831-A847 VanDerWaalsContact O-CB 3.23Å; L831-A847 WeakPolarHBondContact O-CB 3.47Å; L831-A847 PolarHBondContact O-N 3.22Å; L833-A847 HydrophobicContact CB-CB 4.33Å
848	S	87.9	Confident	87.1	Confident	84 Å²	84	38.2 Å²	38.2	59%	0.587	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.3	-35.7	-180	64.1	0	0	0	0	113	R772 S846	R772-S848 PolarHBondContact NH1-O 3.25Å; S846-S848 VanDerWaalsContact C-N 3.32Å; S846-S848 PolarHBondContact OG-N 3.33Å; S846-S848 PolarHBondContact OG-OG 3.2Å
849	D	86.8	Confident	86	Confident	92 Å²	92	39.3 Å²	39.3	49%	0.492	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-136.5	-7.7	-172.1	62.6	7.9	0	0	0	114.8	S846 T851	S846-D849 WeakPolarHBondContact CB-OD1 3.44Å; S846-D849 PolarHBondContact OG-OD1 2.63Å; D849-T851 VanDerWaalsContact C-N 3.32Å; D849-T851 WeakPolarHBondContact OD1-CB 3.33Å; D849-T851 WeakPolarHBondContact OD1-CG2 3.43Å; D849-T851 PolarHBondContact OD1-N 3.26Å; D849-T851 PolarHBondContact OD1-OG1 3.17Å; D849-T851 WeakPolarHBondContact OD2-CG2 3.48Å; D849-T851 PolarHBondContact OD2-OG1 3.31Å
850	G	86.9	Confident	84.8	Confident	6 Å²	6	42.8 Å²	42.8	6%	0.062	25%	0.246	C	C	.	.			trans	82.9	1.8	179	0	0	0	0	0	115.3	R845 S846 L852	R845-G850 PolarHBondContact NH1-O 2.78Å; R845-G850 VanDerWaalsContact NH1-O 3.09Å; S846-G850 VanDerWaalsContact O-CA 3.23Å; S846-G850 WeakPolarHBondContact O-CA 3.38Å; S846-G850 PolarHBondContact O-N 3.34Å; G850-L852 PolarHBondContact O-N 2.68Å
851	T	88.2	Confident	83.2	Confident	74 Å²	74	50 Å²	50	45%	0.454	28%	0.281	S	S	.	.			trans	-58.5	135.1	-177.4	50.9	0	0	0	0	111.7	R845 S846 D849	R845-T851 CarbonylContact C-O 3.53Å; R845-T851 WeakPolarHBondContact CA-O 3.41Å; R845-T851 WeakPolarHBondContact CB-O 3.12Å; S846-T851 VanDerWaalsContact CB-OG1 3.25Å; S846-T851 WeakPolarHBondContact CB-OG1 3.32Å; S846-T851 PolarHBondContact N-O 2.97Å; D849-T851 VanDerWaalsContact C-N 3.32Å; D849-T851 WeakPolarHBondContact OD1-CB 3.33Å; D849-T851 WeakPolarHBondContact OD1-CG2 3.43Å; D849-T851 PolarHBondContact OD1-N 3.26Å; D849-T851 PolarHBondContact OD1-OG1 3.17Å; D849-T851 WeakPolarHBondContact OD2-CG2 3.48Å; D849-T851 PolarHBondContact OD2-OG1 3.31Å
852	L	89.1	Confident	82.1	Confident	80 Å²	80	53.9 Å²	53.9	42%	0.419	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	119.7	-179.5	-177.5	65.2	0	0	0	110.1	R845 G850 C854 C855	R845-L852 HydrophobicContact CG-CD1 4.17Å; G850-L852 PolarHBondContact O-N 2.68Å; L852-C854 VanDerWaalsContact CD1-O 3.3Å; L852-C854 WeakPolarHBondContact CD1-O 3.07Å; L852-C855 HydrophobicContact CD1-CB 4.46Å
853	M	85.1	Confident	81.1	Confident	84 Å²	84	54.9 Å²	54.9	41%	0.414	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	-40.7	176	-63.8	-177.1	70.7	0	0	112	Y49 L832 I844	Y49-M853 HydrophobicContact CD1-CE 4.46Å; L832-M853 HydrophobicContact CD1-SD 4.42Å; L832-M853 HydrophobicContact CD2-CE 4.48Å; L832-M853 HydrophobicContact CD2-SD 3.47Å; L832-M853 WeakPolarHBondContact CD2-SD 3.25Å; I844-M853 PolarHBondContact O-N 2.93Å
854	C	85.1	Confident	80.5	Confident	35 Å²	35	56.3 Å²	56.3	24%	0.236	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	150.2	-179.5	-172.9	0	0	0	0	110.2	I844 L852	I844-C854 HydrophobicContact CB-CB 4.17Å; I844-C854 HydrophobicContact CD1-CB 4.18Å; I844-C854 HydrophobicContact CG1-CB 4.44Å; I844-C854 PolarHBondContact N-O 2.56Å; I844-C854 PolarHBondContact O-N 3.47Å; L852-C854 VanDerWaalsContact CD1-O 3.3Å; L852-C854 WeakPolarHBondContact CD1-O 3.07Å
855	C	87.4	Confident	80.2	Confident	53 Å²	53	56.3 Å²	56.3	36%	0.358	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	124.8	169.8	-169.9	0	0	0	0	109.7	I842 L852	I842-C855 WeakPolarHBondContact O-CA 3.15Å; L852-C855 HydrophobicContact CD1-CB 4.46Å
856	I	86.2	Confident	79.8	Confident	18 Å²	18	55.3 Å²	55.3	9%	0.092	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	102	178.8	-58.1	160.2	0	0	0	107.1	I842 I844 F876 Y888	I842-I856 HydrophobicContact CB-CB 4.37Å; I842-I856 PolarHBondContact N-O 3.26Å; I842-I856 PolarHBondContact O-N 3.34Å; I844-I856 HydrophobicContact CD1-CD1 4.32Å; I856-F876 HydrophobicContact CD1-CE1 4.34Å; I856-F876 HydrophobicContact CD1-CZ 3.82Å; I856-Y888 HydrophobicContact CD1-CD1 3.94Å; I856-Y888 HydrophobicContact CD1-CG 4Å; I856-Y888 HydrophobicContact CG2-CD1 4.1Å; I856-Y888 HydrophobicContact CG2-CE1 3.6Å
857	Q	79.9	Confident	79.5	Confident	106 Å²	106	55 Å²	55	50%	0.495	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	128.8	175.2	-166.7	62.3	22.9	0	0	110.4	D839	D839-Q857 PolarHBondContact O-NE2 3.42Å
858	S	71.3	Confident	79.5	Confident	11 Å²	11	55.2 Å²	55.2	8%	0.077	31%	0.313	C	S	.	.	P	Polyproline II helix	trans	-94.7	153.7	169.3	60.2	0	0	0	0	111.8	R840	R840-S858 PolarHBondContact O-N 3.48Å; R840-S858 PolarHBondContact O-OG 2.91Å
859	S	64.2	Low	79.5	Confident	60 Å²	60	52.5 Å²	52.5	42%	0.42	29%	0.294	S	S	.	.	P	Polyproline II helix	trans	-71.1	153	-176.3	56.7	0	0	0	0	111.8	Q861 K862	S859-Q861 PolarHBondContact O-N 3.33Å; S859-K862 WeakPolarHBondContact O-CA 3.28Å; S859-K862 VanDerWaalsContact O-CB 3.31Å; S859-K862 WeakPolarHBondContact O-CB 3.48Å; S859-K862 PolarHBondContact O-N 3.12Å; S859-K862 WeakPolarHBondContact OG-CD 3.31Å
860	V	60.1	Low	79.5	Confident	91 Å²	91	49.4 Å²	49.4	55%	0.552	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54	-32	-175.2	178.9	0	0	0	0	114.1	K862	V860-K862 PolarHBondContact O-N 3.34Å
861	Q	54	Low	79.4	Confident	182 Å²	182	49.7 Å²	49.7	85%	0.85	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-16.1	175	-67.4	173.8	-24.3	0	0	114.1	S859	S859-Q861 PolarHBondContact O-N 3.33Å
862	K	65.1	Low	78.6	Confident	86 Å²	86	49 Å²	49	37%	0.374	28%	0.276	S	S	.	.	S	Bend	trans	-104.1	103.8	-180	-63.1	175.2	167.3	-173.1	0	106.5	R840 S859 V860 D882	R840-K862 WeakPolarHBondContact CD-O 3.43Å; R840-K862 WeakPolarHBondContact CG-O 3.39Å; S859-K862 WeakPolarHBondContact O-CA 3.28Å; S859-K862 VanDerWaalsContact O-CB 3.31Å; S859-K862 WeakPolarHBondContact O-CB 3.48Å; S859-K862 PolarHBondContact O-N 3.12Å; S859-K862 WeakPolarHBondContact OG-CD 3.31Å; V860-K862 PolarHBondContact O-N 3.34Å; K862-D882 WeakPolarHBondContact CA-OD2 3.37Å; K862-D882 WeakPolarHBondContact CB-OD2 3.49Å; K862-D882 WeakPolarHBondContact CG-OD2 3.44Å
863	G	68.9	Low	77.9	Confident	20 Å²	20	52.6 Å²	52.6	21%	0.206	29%	0.289	C	S	.	.	P	Polyproline II helix	trans	-59.4	170.7	-177.5	0	0	0	0	0	112.5	Y880 S881	G863-Y880 WeakPolarHBondContact O-CD1 3.48Å; G863-S881 VanDerWaalsContact CA-OG 3.3Å; G863-S881 WeakPolarHBondContact CA-OG 3.49Å
864	P	79.4	Confident	77.6	Confident	37 Å²	37	49 Å²	49	24%	0.24	27%	0.273	C	S	.	.	P	Polyproline II helix	trans	-59.5	148.4	-171.9	23.7	-34.6	0	0	0	113.5	L838 S881	L838-P864 HydrophobicContact CD2-CB 4.2Å; L838-P864 HydrophobicContact CD2-CG 4.13Å; P864-S881 WeakPolarHBondContact CD-OG 3.48Å; P864-S881 VanDerWaalsContact N-OG 3.14Å; P864-S881 PolarHBondContact O-N 2.87Å; P864-S881 PolarHBondContact O-OG 3.23Å
865	P	85.1	Confident	77.7	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.3	136.3	165.9	27.2	-33.9	0	0	0	110.2	T820 A836 G837 I842 S878 S879 Y880	T820-P865 WeakPolarHBondContact CB-O 3.36Å; T820-P865 PolarHBondContact OG1-O 3.45Å; A836-P865 HydrophobicContact CB-CB 3.85Å; A836-P865 HydrophobicContact CB-CG 3.59Å; G837-P865 WeakPolarHBondContact O-CD 3.47Å; I842-P865 HydrophobicContact CD1-CB 4.4Å; I842-P865 HydrophobicContact CG1-CB 4.45Å; I842-P865 HydrophobicContact CG1-CG 4.16Å; P865-S878 VanDerWaalsContact CB-OG 3.25Å; P865-S878 WeakPolarHBondContact CB-OG 3.39Å; P865-S879 CarbonylContact C-O 3.55Å; P865-S879 WeakPolarHBondContact CA-O 3.14Å; P865-Y880 HydrophobicContact CB-CD1 4.22Å; P865-Y880 HydrophobicContact CB-CE1 3.93Å; P865-Y880 HydrophobicContact CG-CE1 4.32Å
866	Q	84	Confident	77.7	Confident	22 Å²	22	45.2 Å²	45.2	10%	0.103	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	-39.5	-176.8	-68.3	175.3	-42.1	0	0	111.8	S879	Q866-S879 PolarHBondContact N-O 2.94Å
867	G	84.8	Confident	77.9	Confident	11 Å²	11	44.3 Å²	44.3	11%	0.113	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	150.7	174.9	0	0	0	0	0	111.8	S878 S879	G867-S878 CarbonylContact O-C 3.53Å; G867-S878 WeakPolarHBondContact O-CA 3.45Å; G867-S878 WeakPolarHBondContact O-CB 3.25Å; G867-S878 PolarHBondContact O-OG 3.08Å; G867-S879 WeakPolarHBondContact CA-OG 3.47Å; G867-S879 PolarHBondContact N-OG 3.18Å; G867-S879 PolarHBondContact O-N 3.39Å; G867-S879 PolarHBondContact O-OG 2.98Å
868	I	89.9	Confident	78.2	Confident	7 Å²	7	39.3 Å²	39.3	4%	0.036	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	140.4	165.1	-68.7	-169.8	0	0	0	108	S821 C823 I834 A836 I842 F876 F877	S821-I868 PolarHBondContact OG-N 3.42Å; C823-I868 HydrophobicContact CB-CB 4.48Å; C823-I868 HydrophobicContact CB-CG2 3.64Å; I834-I868 HydrophobicContact CB-CG2 4.33Å; I834-I868 HydrophobicContact CG2-CD1 3.69Å; I834-I868 HydrophobicContact CG2-CG2 4.02Å; A836-I868 HydrophobicContact CB-CD1 3.51Å; A836-I868 HydrophobicContact CB-CG1 3.84Å; I842-I868 HydrophobicContact CD1-CD1 4.03Å; I842-I868 HydrophobicContact CG1-CD1 4.2Å; I842-I868 HydrophobicContact CG2-CD1 3.67Å; I868-F876 HydrophobicContact CD1-CE2 4.42Å; I868-F876 HydrophobicContact CG2-CD2 3.96Å; I868-F877 WeakPolarHBondContact CA-O 3.17Å
869	S	88.5	Confident	78.8	Confident	27 Å²	27	38.9 Å²	38.9	19%	0.189	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	136.2	165.1	-58.1	0	0	0	0	110.9	F877 V909	S869-F877 PolarHBondContact N-O 3.28Å; S869-F877 PolarHBondContact O-N 2.78Å; S869-V909 VanDerWaalsContact CB-CG2 3.46Å
870	C	85.9	Confident	79.8	Confident	27 Å²	27	36 Å²	36	18%	0.182	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	138.8	-176.2	-56.4	0	0	0	0	110.2	C823 L824 V825	C823-C870 WeakPolarHBondContact CB-SG 3.1Å; C823-C870 WeakPolarHBondContact SG-CB 3.44Å; C823-C870 PolarHBondContact SG-N 3.43Å; C823-C870 CovalentContact SG-SG 2.06Å; C823-C870 PolarHBondContact SG-SG 2.91Å; L824-C870 PolarHBondContact O-SG 3Å; V825-C870 HydrophobicContact CB-CB 4.36Å
871	L	85.3	Confident	80.7	Confident	13 Å²	13	33.5 Å²	33.5	7%	0.068	18%	0.183	C	C	.	.			trans	-108.9	161.7	-175.1	-71.3	-178.2	0	0	0	111.7	S875 F877 I887 V909 I914 F928	L871-S875 WeakPolarHBondContact CB-O 3.47Å; L871-S875 PolarHBondContact N-O 2.68Å; L871-F877 HydrophobicContact CD1-CB 4.23Å; L871-F877 HydrophobicContact CD2-CD1 4.05Å; L871-F877 HydrophobicContact CG-CD1 4.38Å; L871-I887 HydrophobicContact CD1-CD1 4.01Å; L871-I887 HydrophobicContact CD1-CG1 4.29Å; L871-I887 HydrophobicContact CD1-CG2 3.79Å; L871-V909 HydrophobicContact CD2-CG1 4.21Å; L871-V909 HydrophobicContact CD2-CG2 3.85Å; L871-I914 HydrophobicContact CD1-CD1 4.49Å; L871-I914 HydrophobicContact CD2-CD1 3.99Å; L871-I914 HydrophobicContact CD2-CG1 4.2Å; L871-F928 HydrophobicContact CD2-CE1 3.72Å; L871-F928 HydrophobicContact CD2-CZ 3.58Å
872	P	71.9	Confident	82.1	Confident	58 Å²	58	26.8 Å²	26.8	38%	0.377	15%	0.153	S	C	.	.	G	3₁₀ helix	trans	-53.3	154.2	167	-24.9	35.1	0	0	0	112.5	G874 F928	P872-G874 PolarHBondContact O-N 3.42Å; P872-F928 HydrophobicContact CG-CE2 4.33Å
873	K	74.9	Confident	83.1	Confident	156 Å²	156	29.8 Å²	29.8	68%	0.678	16%	0.162	S	C	*	.	G	3₁₀ helix	trans	67.5	13.1	168.6	-59.1	-175.4	168.4	-166.8	0	118.7	S930 N931	K873-S930 PolarHBondContact NZ-O 3.4Å; K873-N931 VanDerWaalsContact CD-O 3.24Å; K873-N931 WeakPolarHBondContact CD-O 3.18Å
874	G	77.7	Confident	84.1	Confident	9 Å²	9	28.9 Å²	28.9	9%	0.093	15%	0.153	C	C	.	.	G	3₁₀ helix	trans	105.1	11	171.4	0	0	0	0	0	115.3	P872 W890	P872-G874 PolarHBondContact O-N 3.42Å; G874-W890 VanDerWaalsContact C-CD1 3.49Å; G874-W890 PolarHBondContact O-N 2.81Å; G874-W890 VanDerWaalsContact O-N 3.11Å; G874-W890 PolarHBondContact O-NE1 2.86Å
875	S	87	Confident	84.6	Confident	8 Å²	8	27.1 Å²	27.1	6%	0.056	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	171.2	175	-45.8	0	0	0	0	111.2	L871 Y888 E896	L871-S875 WeakPolarHBondContact CB-O 3.47Å; L871-S875 PolarHBondContact N-O 2.68Å; S875-Y888 CarbonylContact C-O 3.58Å; S875-Y888 VanDerWaalsContact CA-O 3.25Å; S875-Y888 WeakPolarHBondContact CA-O 3.39Å; S875-E896 WeakPolarHBondContact CB-OE2 2.93Å; S875-E896 PolarHBondContact OG-OE2 3.42Å
876	F	88.5	Confident	84.9	Confident	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	155.5	164.2	68.2	-80.9	0	0	0	108.7	I834 I842 I844 I856 I868 I887 Y888 W890	I834-F876 HydrophobicContact CD1-CB 3.96Å; I834-F876 HydrophobicContact CD1-CD1 3.8Å; I834-F876 HydrophobicContact CD1-CD2 4.28Å; I834-F876 HydrophobicContact CD1-CE1 4.28Å; I834-F876 HydrophobicContact CD1-CG 3.76Å; I834-F876 HydrophobicContact CG2-CD2 4.19Å; I834-F876 HydrophobicContact CG2-CE2 3.9Å; I834-F876 HydrophobicContact CG2-CZ 4.08Å; I842-F876 HydrophobicContact CD1-CE2 4.13Å; I842-F876 HydrophobicContact CG2-CE2 3.96Å; I842-F876 HydrophobicContact CG2-CZ 4Å; I844-F876 HydrophobicContact CD1-CE1 4.01Å; I844-F876 HydrophobicContact CD1-CZ 4.38Å; I856-F876 HydrophobicContact CD1-CE1 4.34Å; I856-F876 HydrophobicContact CD1-CZ 3.82Å; I868-F876 HydrophobicContact CD1-CE2 4.42Å; I868-F876 HydrophobicContact CG2-CD2 3.96Å; F876-I887 WeakPolarHBondContact O-CA 3.12Å; F876-Y888 VanDerWaalsContact CD1-O 3.25Å; F876-Y888 WeakPolarHBondContact CD1-O 3.32Å; F876-Y888 VanDerWaalsContact CE1-CB 3.44Å; F876-Y888 HydrophobicContact CE1-CG 4.45Å; F876-Y888 AromaticContact CE2-CD2 3.98Å; F876-Y888 HydrophobicContact CE2-CD2 3.98Å; F876-Y888 HydrophobicContact CE2-CG 4.44Å; F876-Y888 HydrophobicContact CZ-CD2 4.04Å; F876-Y888 HydrophobicContact CZ-CG 4.07Å; F876-Y888 PolarHBondContact N-O 2.75Å; F876-Y888 PolarHBondContact O-N 3.48Å; F876-W890 HydrophobicContact CD1-CB 3.7Å; F876-W890 HydrophobicContact CD1-CG 4.42Å; F876-W890 HydrophobicContact CE1-CB 3.86Å
877	F	88.6	Confident	85.3	Confident	0 Å²	0	26.2 Å²	26.2	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	153.8	167.2	87.1	-101.3	0	0	0	111.3	I868 S869 L871 I885 R886 I887 S907 V909 I914	I868-F877 WeakPolarHBondContact CA-O 3.17Å; S869-F877 PolarHBondContact N-O 3.28Å; S869-F877 PolarHBondContact O-N 2.78Å; L871-F877 HydrophobicContact CD1-CB 4.23Å; L871-F877 HydrophobicContact CD2-CD1 4.05Å; L871-F877 HydrophobicContact CG-CD1 4.38Å; F877-I885 HydrophobicContact CB-CG2 4.14Å; F877-I885 HydrophobicContact CD2-CG2 3.95Å; F877-I885 HydrophobicContact CG-CG2 4.26Å; F877-R886 CarbonylContact C-O 3.45Å; F877-R886 WeakPolarHBondContact CA-O 3.32Å; F877-R886 WeakPolarHBondContact CB-O 3.39Å; F877-I887 HydrophobicContact CB-CG1 3.96Å; F877-S907 WeakPolarHBondContact CE2-OG 3.3Å; F877-S907 WeakPolarHBondContact CZ-OG 3.3Å; F877-V909 HydrophobicContact CD1-CG2 4.03Å; F877-V909 HydrophobicContact CE1-CG2 3.54Å; F877-I914 HydrophobicContact CD1-CD1 3.88Å; F877-I914 HydrophobicContact CD1-CG1 4.5Å; F877-I914 HydrophobicContact CD1-CG2 4.24Å; F877-I914 HydrophobicContact CE1-CD1 4.34Å; F877-I914 HydrophobicContact CE1-CG2 3.68Å; F877-I914 HydrophobicContact CG-CD1 4.48Å; F877-I914 HydrophobicContact CZ-CG2 4.07Å
878	S	87.7	Confident	85.5	Confident	0 Å²	0	26.4 Å²	26.4	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	135	161.1	-174.2	0	0	0	0	110.6	P865 G867 Y880 R886	P865-S878 VanDerWaalsContact CB-OG 3.25Å; P865-S878 WeakPolarHBondContact CB-OG 3.39Å; G867-S878 CarbonylContact O-C 3.53Å; G867-S878 WeakPolarHBondContact O-CA 3.45Å; G867-S878 WeakPolarHBondContact O-CB 3.25Å; G867-S878 PolarHBondContact O-OG 3.08Å; S878-Y880 WeakPolarHBondContact O-CD2 3.33Å; S878-R886 PolarHBondContact N-O 2.81Å; S878-R886 PolarHBondContact O-N 3.24Å
879	S	83.8	Confident	85.4	Confident	3 Å²	3	27.5 Å²	27.5	2%	0.021	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	131	171.4	40.5	0	0	0	0	109.3	P865 Q866 G867 S907	P865-S879 CarbonylContact C-O 3.55Å; P865-S879 WeakPolarHBondContact CA-O 3.14Å; Q866-S879 PolarHBondContact N-O 2.94Å; G867-S879 WeakPolarHBondContact CA-OG 3.47Å; G867-S879 PolarHBondContact N-OG 3.18Å; G867-S879 PolarHBondContact O-N 3.39Å; G867-S879 PolarHBondContact O-OG 2.98Å; S879-S907 PolarHBondContact OG-OG 3.36Å
880	Y	84.6	Confident	85.2	Confident	0 Å²	0	27.1 Å²	27.1	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	144.8	-176.4	-74.6	-95.7	0	0	0	111.6	I842 G863 P865 S878 D882 R883 S884 R886 Y888	I842-Y880 WeakPolarHBondContact CD1-OH 3.37Å; G863-Y880 WeakPolarHBondContact O-CD1 3.48Å; P865-Y880 HydrophobicContact CB-CD1 4.22Å; P865-Y880 HydrophobicContact CB-CE1 3.93Å; P865-Y880 HydrophobicContact CG-CE1 4.32Å; S878-Y880 WeakPolarHBondContact O-CD2 3.33Å; Y880-D882 WeakPolarHBondContact CB-OD1 3.34Å; Y880-D882 PolarHBondContact O-N 2.74Å; Y880-D882 VanDerWaalsContact O-N 3.12Å; Y880-R883 PolarHBondContact O-N 3.08Å; Y880-R883 VanDerWaalsContact O-N 3.09Å; Y880-S884 PolarHBondContact N-O 3.1Å; Y880-R886 HydrophobicContact CD2-CB 4.34Å; Y880-R886 HydrophobicContact CD2-CG 3.79Å; Y880-R886 HydrophobicContact CE2-CB 3.9Å; Y880-R886 HydrophobicContact CE2-CG 3.7Å; Y880-R886 VanDerWaalsContact CZ-NH1 3.29Å; Y880-Y888 HydrophobicContact CE2-CE2 4.22Å; Y880-Y888 PolarHBondContact OH-OH 3.14Å
881	S	79.5	Confident	84.9	Confident	38 Å²	38	30.8 Å²	30.8	27%	0.266	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-20.9	175.7	44.2	0	0	0	0	114.1	G863 P864 R883	G863-S881 VanDerWaalsContact CA-OG 3.3Å; G863-S881 WeakPolarHBondContact CA-OG 3.49Å; P864-S881 WeakPolarHBondContact CD-OG 3.48Å; P864-S881 VanDerWaalsContact N-OG 3.14Å; P864-S881 PolarHBondContact O-N 2.87Å; P864-S881 PolarHBondContact O-OG 3.23Å; S881-R883 PolarHBondContact O-N 2.99Å; S881-R883 VanDerWaalsContact O-N 3.11Å
882	D	82.2	Confident	84.7	Confident	41 Å²	41	34.6 Å²	34.6	22%	0.219	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.8	20.3	171.9	66.7	18.8	0	0	0	114.7	K862 Y880 S884 R886	K862-D882 WeakPolarHBondContact CA-OD2 3.37Å; K862-D882 WeakPolarHBondContact CB-OD2 3.49Å; K862-D882 WeakPolarHBondContact CG-OD2 3.44Å; Y880-D882 WeakPolarHBondContact CB-OD1 3.34Å; Y880-D882 PolarHBondContact O-N 2.74Å; Y880-D882 VanDerWaalsContact O-N 3.12Å; D882-S884 VanDerWaalsContact C-N 3.29Å; D882-S884 PolarHBondContact O-N 3.34Å; D882-S884 WeakPolarHBondContact OD1-CB 3.2Å; D882-S884 PolarHBondContact OD1-N 3.49Å; D882-S884 PolarHBondContact OD1-OG 2.97Å; D882-R886 VanDerWaalsContact CG-NH2 3.31Å; D882-R886 IonicContact OD1-NH2 3.47Å; D882-R886 PolarHBondContact OD1-NH2 3.22Å; D882-R886 IonicContact OD2-CZ 3.1Å; D882-R886 IonicContact OD2-NH2 3.82Å; D882-R886 PolarHBondContact OD2-NH2 3.23Å
883	R	87.4	Confident	85.1	Confident	149 Å²	149	32.5 Å²	32.5	56%	0.562	16%	0.16	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.5	34.5	179.4	-40.2	-178.4	-174.8	174.5	-0.5	112.8	Y880 S881 H900 V901	Y880-R883 PolarHBondContact O-N 3.08Å; Y880-R883 VanDerWaalsContact O-N 3.09Å; S881-R883 PolarHBondContact O-N 2.99Å; S881-R883 VanDerWaalsContact O-N 3.11Å; R883-H900 WeakPolarHBondContact O-CA 3.31Å; R883-V901 WeakPolarHBondContact CB-O 3.01Å; R883-V901 PolarHBondContact O-N 2.96Å
884	S	88.9	Confident	85.6	Confident	0 Å²	0	28 Å²	28	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	149.4	174.5	73	0	0	0	0	113.2	Y880 D882 R886 F899	Y880-S884 PolarHBondContact N-O 3.1Å; D882-S884 VanDerWaalsContact C-N 3.29Å; D882-S884 PolarHBondContact O-N 3.34Å; D882-S884 WeakPolarHBondContact OD1-CB 3.2Å; D882-S884 PolarHBondContact OD1-N 3.49Å; D882-S884 PolarHBondContact OD1-OG 2.97Å; S884-R886 PolarHBondContact OG-NE 3.12Å; S884-R886 PolarHBondContact OG-NH2 3.09Å; S884-F899 WeakPolarHBondContact CA-O 3.34Å
885	I	90.9	Very high	86	Confident	0 Å²	0	30.7 Å²	30.7	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	130.7	167.3	-65.2	177.5	0	0	0	107	F877 T898 F899 V901 I904 V916	F877-I885 HydrophobicContact CB-CG2 4.14Å; F877-I885 HydrophobicContact CD2-CG2 3.95Å; F877-I885 HydrophobicContact CG-CG2 4.26Å; I885-T898 WeakPolarHBondContact O-CA 3.35Å; I885-F899 HydrophobicContact CB-CE1 4.13Å; I885-F899 HydrophobicContact CB-CE2 4.1Å; I885-F899 HydrophobicContact CB-CZ 3.87Å; I885-F899 HydrophobicContact CD1-CE2 4.12Å; I885-F899 HydrophobicContact CD1-CZ 4.18Å; I885-F899 HydrophobicContact CG2-CE1 3.97Å; I885-F899 HydrophobicContact CG2-CZ 3.85Å; I885-F899 PolarHBondContact N-O 3Å; I885-F899 PolarHBondContact O-N 2.87Å; I885-V901 HydrophobicContact CD1-CG1 4.26Å; I885-V901 HydrophobicContact CD1-CG2 4.33Å; I885-V901 HydrophobicContact CG1-CG2 4.18Å; I885-I904 HydrophobicContact CD1-CD1 4.29Å; I885-I904 HydrophobicContact CG1-CD1 3.69Å; I885-V916 HydrophobicContact CD1-CB 4.35Å; I885-V916 HydrophobicContact CD1-CG1 3.97Å; I885-V916 HydrophobicContact CD1-CG2 3.41Å; I885-V916 VanDerWaalsContact CD1-CG2 3.41Å
886	R	91.2	Very high	86	Confident	4 Å²	4	33.6 Å²	33.6	2%	0.015	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	140.9	178.8	-51.5	-170.4	-177.2	124.1	13.9	109.4	F877 S878 Y880 D882 S884 Y888 L897 T898	F877-R886 CarbonylContact C-O 3.45Å; F877-R886 WeakPolarHBondContact CA-O 3.32Å; F877-R886 WeakPolarHBondContact CB-O 3.39Å; S878-R886 PolarHBondContact N-O 2.81Å; S878-R886 PolarHBondContact O-N 3.24Å; Y880-R886 HydrophobicContact CD2-CB 4.34Å; Y880-R886 HydrophobicContact CD2-CG 3.79Å; Y880-R886 HydrophobicContact CE2-CB 3.9Å; Y880-R886 HydrophobicContact CE2-CG 3.7Å; Y880-R886 VanDerWaalsContact CZ-NH1 3.29Å; D882-R886 VanDerWaalsContact CG-NH2 3.31Å; D882-R886 IonicContact OD1-NH2 3.47Å; D882-R886 PolarHBondContact OD1-NH2 3.22Å; D882-R886 IonicContact OD2-CZ 3.1Å; D882-R886 IonicContact OD2-NH2 3.82Å; D882-R886 PolarHBondContact OD2-NH2 3.23Å; S884-R886 PolarHBondContact OG-NE 3.12Å; S884-R886 PolarHBondContact OG-NH2 3.09Å; R886-Y888 HydrophobicContact CB-CD2 4.26Å; R886-Y888 HydrophobicContact CB-CE2 3.52Å; R886-Y888 VanDerWaalsContact CD-OH 3.24Å; R886-Y888 WeakPolarHBondContact CD-OH 3.24Å; R886-L897 WeakPolarHBondContact CA-O 3.33Å; R886-T898 HydrophobicContact CG-CG2 4.02Å; R886-T898 WeakPolarHBondContact CG-OG1 3.13Å
887	I	91.5	Very high	86	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	129	178.7	-56	-177.8	0	0	0	107.6	L871 F876 F877 S895 E896 L897 L933 P934	L871-I887 HydrophobicContact CD1-CD1 4.01Å; L871-I887 HydrophobicContact CD1-CG1 4.29Å; L871-I887 HydrophobicContact CD1-CG2 3.79Å; F876-I887 WeakPolarHBondContact O-CA 3.12Å; F877-I887 HydrophobicContact CB-CG1 3.96Å; I887-S895 CarbonylContact O-C 3.49Å; I887-S895 WeakPolarHBondContact O-CA 3.43Å; I887-E896 HydrophobicContact CG2-CB 4.48Å; I887-E896 PolarHBondContact O-N 2.92Å; I887-L897 HydrophobicContact CB-CB 4.09Å; I887-L897 HydrophobicContact CD1-CB 4.19Å; I887-L897 HydrophobicContact CD1-CD2 4.07Å; I887-L897 HydrophobicContact CG1-CB 4.3Å; I887-L897 PolarHBondContact N-O 3.03Å; I887-L897 PolarHBondContact O-N 2.93Å; I887-L933 HydrophobicContact CD1-CD2 4.31Å; I887-L933 HydrophobicContact CG2-CD2 3.77Å; I887-P934 HydrophobicContact CD1-CG 3.42Å; I887-P934 VanDerWaalsContact CD1-CG 3.42Å
888	Y	89.9	Confident	86.1	Confident	15 Å²	15	38.1 Å²	38.1	6%	0.059	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	141.1	-176.9	-64	-80.9	0	0	0	109.1	I842 I856 S875 F876 Y880 R886 S894	I842-Y888 HydrophobicContact CD1-CE2 4.27Å; I856-Y888 HydrophobicContact CD1-CD1 3.94Å; I856-Y888 HydrophobicContact CD1-CG 4Å; I856-Y888 HydrophobicContact CG2-CD1 4.1Å; I856-Y888 HydrophobicContact CG2-CE1 3.6Å; S875-Y888 CarbonylContact C-O 3.58Å; S875-Y888 VanDerWaalsContact CA-O 3.25Å; S875-Y888 WeakPolarHBondContact CA-O 3.39Å; F876-Y888 VanDerWaalsContact CD1-O 3.25Å; F876-Y888 WeakPolarHBondContact CD1-O 3.32Å; F876-Y888 VanDerWaalsContact CE1-CB 3.44Å; F876-Y888 HydrophobicContact CE1-CG 4.45Å; F876-Y888 AromaticContact CE2-CD2 3.98Å; F876-Y888 HydrophobicContact CE2-CD2 3.98Å; F876-Y888 HydrophobicContact CE2-CG 4.44Å; F876-Y888 HydrophobicContact CZ-CD2 4.04Å; F876-Y888 HydrophobicContact CZ-CG 4.07Å; F876-Y888 PolarHBondContact N-O 2.75Å; F876-Y888 PolarHBondContact O-N 3.48Å; Y880-Y888 HydrophobicContact CE2-CE2 4.22Å; Y880-Y888 PolarHBondContact OH-OH 3.14Å; R886-Y888 HydrophobicContact CB-CD2 4.26Å; R886-Y888 HydrophobicContact CB-CE2 3.52Å; R886-Y888 VanDerWaalsContact CD-OH 3.24Å; R886-Y888 WeakPolarHBondContact CD-OH 3.24Å; Y888-S894 WeakPolarHBondContact CA-O 3.36Å
889	N	86.6	Confident	86.1	Confident	29 Å²	29	38.6 Å²	38.6	16%	0.155	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	124.2	165.9	-164.4	-74.8	0	0	0	108.8	K891 T892 G893 S894 E896	N889-K891 VanDerWaalsContact C-N 3.31Å; N889-K891 PolarHBondContact O-N 2.97Å; N889-K891 WeakPolarHBondContact OD1-CB 3.32Å; N889-K891 PolarHBondContact OD1-N 2.92Å; N889-T892 WeakPolarHBondContact CB-OG1 3.46Å; N889-T892 PolarHBondContact OD1-N 2.79Å; N889-G893 VanDerWaalsContact O-CA 3.25Å; N889-G893 WeakPolarHBondContact O-CA 3.43Å; N889-G893 PolarHBondContact O-N 3.2Å; N889-S894 PolarHBondContact N-O 3.16Å; N889-E896 HydrophobicContact CB-CG 4.13Å; N889-E896 VanDerWaalsContact CB-OE1 3.32Å; N889-E896 WeakPolarHBondContact CB-OE1 3.17Å; N889-E896 PolarHBondContact ND2-OE1 2.91Å
890	W	84.3	Confident	86.3	Confident	19 Å²	19	43.7 Å²	43.7	7%	0.072	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-12.5	-179.8	53.4	-107.2	0	0	0	113.8	V825 S827 L832 I834 I844 G874 F876	V825-W890 HydrophobicContact CG1-CD2 4.12Å; V825-W890 HydrophobicContact CG1-CG 4.21Å; V825-W890 HydrophobicContact CG2-CZ2 4.05Å; S827-W890 VanDerWaalsContact CB-CH2 3.45Å; S827-W890 WeakPolarHBondContact OG-CH2 3.41Å; S827-W890 WeakPolarHBondContact OG-CZ3 3.25Å; L832-W890 HydrophobicContact CD1-CE3 3.66Å; L832-W890 HydrophobicContact CD1-CZ3 3.78Å; I834-W890 HydrophobicContact CD1-CB 4.18Å; I844-W890 HydrophobicContact CD1-CB 3.93Å; G874-W890 VanDerWaalsContact C-CD1 3.49Å; G874-W890 PolarHBondContact O-N 2.81Å; G874-W890 VanDerWaalsContact O-N 3.11Å; G874-W890 PolarHBondContact O-NE1 2.86Å; F876-W890 HydrophobicContact CD1-CB 3.7Å; F876-W890 HydrophobicContact CD1-CG 4.42Å; F876-W890 HydrophobicContact CE1-CB 3.86Å
891	K	80.8	Confident	86.3	Confident	104 Å²	104	44.7 Å²	44.7	45%	0.452	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-36.8	174.8	-62.8	-178.1	176.3	-176	0	112.2	N889	N889-K891 VanDerWaalsContact C-N 3.31Å; N889-K891 PolarHBondContact O-N 2.97Å; N889-K891 WeakPolarHBondContact OD1-CB 3.32Å; N889-K891 PolarHBondContact OD1-N 2.92Å
892	T	81.3	Confident	86.4	Confident	94 Å²	94	46.8 Å²	46.8	58%	0.577	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-110	-18.1	-175.3	63.8	0	0	0	0	114.1	N889 S894	N889-T892 WeakPolarHBondContact CB-OG1 3.46Å; N889-T892 PolarHBondContact OD1-N 2.79Å; T892-S894 PolarHBondContact O-N 3.44Å; T892-S894 WeakPolarHBondContact OG1-CB 3.32Å; T892-S894 PolarHBondContact OG1-N 3.19Å; T892-S894 VanDerWaalsContact OG1-N 3.14Å; T892-S894 PolarHBondContact OG1-OG 3.33Å
893	G	80.6	Confident	86.6	Confident	13 Å²	13	47.3 Å²	47.3	13%	0.134	24%	0.242	C	C	.	.			trans	73.6	1.7	-169.1	0	0	0	0	0	114.8	N889	N889-G893 VanDerWaalsContact O-CA 3.25Å; N889-G893 WeakPolarHBondContact O-CA 3.43Å; N889-G893 PolarHBondContact O-N 3.2Å
894	S	83.7	Confident	86.7	Confident	61 Å²	61	40.5 Å²	40.5	43%	0.427	22%	0.216	S	C	.	.			trans	-74	136.3	-176.2	61.8	0	0	0	0	112.4	Y888 N889 T892 E896	Y888-S894 WeakPolarHBondContact CA-O 3.36Å; N889-S894 PolarHBondContact N-O 3.16Å; T892-S894 PolarHBondContact O-N 3.44Å; T892-S894 WeakPolarHBondContact OG1-CB 3.32Å; T892-S894 PolarHBondContact OG1-N 3.19Å; T892-S894 VanDerWaalsContact OG1-N 3.14Å; T892-S894 PolarHBondContact OG1-OG 3.33Å; S894-E896 PolarHBondContact O-N 2.89Å
895	S	87	Confident	86.7	Confident	67 Å²	67	41.8 Å²	41.8	47%	0.469	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	116.3	169.8	178.7	0	0	0	0	110.4	I887	I887-S895 CarbonylContact O-C 3.49Å; I887-S895 WeakPolarHBondContact O-CA 3.43Å
896	E	87.3	Confident	86.8	Confident	68 Å²	68	42.4 Å²	42.4	32%	0.318	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	-35.3	178.8	-62.3	176.9	147.3	0	0	111.9	S875 I887 N889 S894 L933	S875-E896 WeakPolarHBondContact CB-OE2 2.93Å; S875-E896 PolarHBondContact OG-OE2 3.42Å; I887-E896 HydrophobicContact CG2-CB 4.48Å; I887-E896 PolarHBondContact O-N 2.92Å; N889-E896 HydrophobicContact CB-CG 4.13Å; N889-E896 VanDerWaalsContact CB-OE1 3.32Å; N889-E896 WeakPolarHBondContact CB-OE1 3.17Å; N889-E896 PolarHBondContact ND2-OE1 2.91Å; S894-E896 PolarHBondContact O-N 2.89Å; E896-L933 HydrophobicContact CB-CD2 4.2Å
897	L	88.9	Confident	86.9	Confident	40 Å²	40	43.3 Å²	43.3	21%	0.209	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	150.9	179.2	-169.2	61.7	0	0	0	111.1	R886 I887 F899 P934 T936	R886-L897 WeakPolarHBondContact CA-O 3.33Å; I887-L897 HydrophobicContact CB-CB 4.09Å; I887-L897 HydrophobicContact CD1-CB 4.19Å; I887-L897 HydrophobicContact CD1-CD2 4.07Å; I887-L897 HydrophobicContact CG1-CB 4.3Å; I887-L897 PolarHBondContact N-O 3.03Å; I887-L897 PolarHBondContact O-N 2.93Å; L897-F899 HydrophobicContact CD2-CD1 4.01Å; L897-F899 HydrophobicContact CD2-CE1 4.13Å; L897-F899 HydrophobicContact CG-CD1 4.14Å; L897-P934 HydrophobicContact CD2-CG 4.25Å; L897-T936 HydrophobicContact CD1-CG2 3.99Å; L897-T936 HydrophobicContact CD2-CG2 4.1Å; L897-T936 HydrophobicContact CG-CG2 4.41Å
898	T	89.6	Confident	86.9	Confident	55 Å²	55	44.1 Å²	44.1	34%	0.337	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	135	166.2	-70.7	0	0	0	0	108.7	I885 R886	I885-T898 WeakPolarHBondContact O-CA 3.35Å; R886-T898 HydrophobicContact CG-CG2 4.02Å; R886-T898 WeakPolarHBondContact CG-OG1 3.13Å
899	F	88.7	Confident	86.9	Confident	10 Å²	10	45.3 Å²	45.3	4%	0.044	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	152.6	172.7	58.5	-83.3	0	0	0	111.1	S884 I885 L897 V901 Y926 P934 T936	S884-F899 WeakPolarHBondContact CA-O 3.34Å; I885-F899 HydrophobicContact CB-CE1 4.13Å; I885-F899 HydrophobicContact CB-CE2 4.1Å; I885-F899 HydrophobicContact CB-CZ 3.87Å; I885-F899 HydrophobicContact CD1-CE2 4.12Å; I885-F899 HydrophobicContact CD1-CZ 4.18Å; I885-F899 HydrophobicContact CG2-CE1 3.97Å; I885-F899 HydrophobicContact CG2-CZ 3.85Å; I885-F899 PolarHBondContact N-O 3Å; I885-F899 PolarHBondContact O-N 2.87Å; L897-F899 HydrophobicContact CD2-CD1 4.01Å; L897-F899 HydrophobicContact CD2-CE1 4.13Å; L897-F899 HydrophobicContact CG-CD1 4.14Å; F899-V901 HydrophobicContact CD2-CG1 3.79Å; F899-V901 HydrophobicContact CE2-CG1 3.78Å; F899-Y926 HydrophobicContact CD2-CE1 4.29Å; F899-Y926 HydrophobicContact CE2-CD1 4Å; F899-Y926 AromaticContact CE2-CE1 3.66Å; F899-Y926 HydrophobicContact CE2-CE1 3.66Å; F899-Y926 AromaticContact CE2-CZ 3.98Å; F899-Y926 HydrophobicContact CZ-CD1 4.34Å; F899-Y926 HydrophobicContact CZ-CE1 4.44Å; F899-P934 HydrophobicContact CE1-CG 4.2Å; F899-T936 HydrophobicContact CB-CG2 4.11Å; F899-T936 HydrophobicContact CD1-CG2 4.26Å; F899-T936 HydrophobicContact CG-CG2 4.33Å
900	H	86.9	Confident	87.1	Confident	111 Å²	111	44.1 Å²	44.1	51%	0.514	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	149.7	178.3	-70	-83.6	0	0	0	111.3	R883	R883-H900 WeakPolarHBondContact O-CA 3.31Å
901	V	84.8	Confident	87.2	Confident	20 Å²	20	50.7 Å²	50.7	12%	0.121	28%	0.276	C	S	.	.			trans	-140.5	-168.6	-176.9	-65.5	0	0	0	0	109.1	R883 I885 F899 I904 Y926	R883-V901 WeakPolarHBondContact CB-O 3.01Å; R883-V901 PolarHBondContact O-N 2.96Å; I885-V901 HydrophobicContact CD1-CG1 4.26Å; I885-V901 HydrophobicContact CD1-CG2 4.33Å; I885-V901 HydrophobicContact CG1-CG2 4.18Å; F899-V901 HydrophobicContact CD2-CG1 3.79Å; F899-V901 HydrophobicContact CE2-CG1 3.78Å; V901-I904 HydrophobicContact CG2-CD1 3.6Å; V901-I904 HydrophobicContact CG2-CG1 3.52Å; V901-Y926 VanDerWaalsContact CG1-OH 3.28Å; V901-Y926 WeakPolarHBondContact CG1-OH 3.16Å
902	H	82.1	Confident	87.5	Confident	82 Å²	82	49.9 Å²	49.9	38%	0.38	27%	0.27	S	S	.	.	S	Bend	trans	-81	-177	172.7	-66.5	-118.2	0	0	0	110.5	I904 D918 R924	H902-I904 PolarHBondContact O-N 3.15Å; H902-D918 HydrophobicContact CB-CB 4.02Å; H902-D918 WeakPolarHBondContact CB-OD2 3.27Å; H902-D918 IonicContact CG-OD2 2.66Å; H902-R924 PolarHBondContact CD2-NE 3.09Å; H902-R924 PolarHBondContact CD2-NH2 2.79Å; H902-R924 PolarHBondContact CE1-NH2 3.12Å; H902-R924 PolarHBondContact ND1-NH2 2.86Å; H902-R924 PolarHBondContact NE2-NH2 2.98Å
903	K	86.3	Confident	87.9	Confident	53 Å²	53	45.6 Å²	45.6	23%	0.23	24%	0.243	C	C	.	.			trans	-63.3	103	178.2	179.4	-174.5	172.6	-177.7	0	109.6	N159 T163 S905 D918 S919	N159-K903 PolarHBondContact O-NZ 3.1Å; T163-K903 HydrophobicContact CG2-CD 4.1Å; T163-K903 PolarHBondContact OG1-NZ 3.12Å; K903-S905 PolarHBondContact O-N 3.4Å; K903-D918 WeakPolarHBondContact O-CA 3.49Å; K903-D918 WeakPolarHBondContact O-CB 3.41Å; K903-S919 PolarHBondContact O-N 3.13Å
904	I	89.3	Confident	88.5	Confident	5 Å²	5	45 Å²	45	3%	0.026	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	133	-178.7	-49.1	172.7	0	0	0	109	I885 V901 H902 V916	I885-I904 HydrophobicContact CD1-CD1 4.29Å; I885-I904 HydrophobicContact CG1-CD1 3.69Å; V901-I904 HydrophobicContact CG2-CD1 3.6Å; V901-I904 HydrophobicContact CG2-CG1 3.52Å; H902-I904 PolarHBondContact O-N 3.15Å; I904-V916 HydrophobicContact CG1-CG1 4.2Å; I904-V916 HydrophobicContact CG2-CG1 4.03Å
905	S	89.7	Confident	89	Confident	27 Å²	27	42.1 Å²	42.1	19%	0.189	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	-29.5	171	54.3	0	0	0	0	112.2	K903 G917 D918 V950	K903-S905 PolarHBondContact O-N 3.4Å; S905-G917 PolarHBondContact N-O 3.43Å; S905-G917 PolarHBondContact OG-O 3.45Å; S905-D918 WeakPolarHBondContact OG-CA 3.31Å; S905-D918 PolarHBondContact OG-O 3.18Å; S905-V950 WeakPolarHBondContact CB-O 3.49Å; S905-V950 PolarHBondContact OG-O 3.32Å
906	S	91.7	Very high	89.3	Confident	14 Å²	14	39.1 Å²	39.1	10%	0.098	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	162.2	175.3	58.4	0	0	0	0	112	G917 V950 L953	S906-G917 PolarHBondContact N-O 2.79Å; S906-G917 PolarHBondContact O-N 3.03Å; S906-V950 WeakPolarHBondContact CB-O 3.26Å; S906-V950 PolarHBondContact OG-O 2.94Å; S906-L953 WeakPolarHBondContact OG-CD1 3.43Å; S906-L953 WeakPolarHBondContact OG-CG 3.47Å
907	S	93.2	Very high	89.6	Confident	23 Å²	23	35.9 Å²	35.9	16%	0.161	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.5	144.5	180	58.3	0	0	0	0	111.9	F877 S879 A915	F877-S907 WeakPolarHBondContact CE2-OG 3.3Å; F877-S907 WeakPolarHBondContact CZ-OG 3.3Å; S879-S907 PolarHBondContact OG-OG 3.36Å; S907-A915 CarbonylContact C-O 3.55Å; S907-A915 VanDerWaalsContact CA-O 3.27Å; S907-A915 WeakPolarHBondContact CA-O 3.19Å
908	C	92.2	Very high	89.7	Confident	16 Å²	16	34 Å²	34	11%	0.108	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	147.6	-175.7	-173.4	0	0	0	0	111.8	A915 L953	C908-A915 PolarHBondContact N-O 2.99Å; C908-A915 PolarHBondContact O-N 2.98Å; C908-L953 HydrophobicContact CB-CB 3.81Å
909	V	91.1	Very high	89.7	Confident	40 Å²	40	32.1 Å²	32.1	24%	0.242	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	121.6	172.3	179.6	0	0	0	0	109.5	S869 L871 F877 F928	S869-V909 VanDerWaalsContact CB-CG2 3.46Å; L871-V909 HydrophobicContact CD2-CG1 4.21Å; L871-V909 HydrophobicContact CD2-CG2 3.85Å; F877-V909 HydrophobicContact CD1-CG2 4.03Å; F877-V909 HydrophobicContact CE1-CG2 3.54Å; V909-F928 HydrophobicContact CG1-CE2 4.44Å; V909-F928 HydrophobicContact CG1-CZ 4.24Å
910	M	90	Very high	89.6	Confident	4 Å²	4	36.8 Å²	36.8	2%	0.02	18%	0.181	C	C	.	.			trans	-99.9	167.2	168.4	-51.4	178.3	74	0	0	109.3	R912 Y913 G957 D958 L960 V974	M910-R912 PolarHBondContact O-N 2.92Å; M910-R912 VanDerWaalsContact O-N 3.08Å; M910-Y913 WeakPolarHBondContact CA-O 3.26Å; M910-Y913 HydrophobicContact CB-CD2 4.27Å; M910-Y913 HydrophobicContact CE-CD2 4.49Å; M910-Y913 PolarHBondContact N-O 3.4Å; M910-Y913 PolarHBondContact O-N 3.5Å; M910-Y913 VanDerWaalsContact O-O 3.13Å; M910-Y913 HydrophobicContact SD-CD2 4.08Å; M910-G957 WeakPolarHBondContact CE-O 3.37Å; M910-D958 VanDerWaalsContact CE-C 3.41Å; M910-D958 WeakPolarHBondContact CE-O 3.3Å; M910-L960 HydrophobicContact CE-CB 4.13Å; M910-L960 HydrophobicContact CG-CD1 4.42Å; M910-L960 HydrophobicContact SD-CB 4.23Å; M910-L960 HydrophobicContact SD-CD1 4.02Å; M910-V974 HydrophobicContact CE-CB 4.23Å; M910-V974 HydrophobicContact CE-CG2 3.81Å; M910-V974 HydrophobicContact SD-CG2 3.9Å
911	Q	85.3	Confident	89.8	Confident	158 Å²	158	31.5 Å²	31.5	74%	0.738	16%	0.157	S	C	*	.	S	Bend	trans	-56.7	-30.7	-179.2	-168.1	-176.9	22.2	0	0	114
912	R	87.4	Confident	90.1	Very high	87 Å²	87	30.5 Å²	30.5	33%	0.328	15%	0.151	S	C	.	.	S	Bend	trans	-121.2	-5.4	-175.3	-58	-169.4	-68.6	150.5	-16	114.4	M910 F928 D958 E976	M910-R912 PolarHBondContact O-N 2.92Å; M910-R912 VanDerWaalsContact O-N 3.08Å; R912-F928 WeakPolarHBondContact O-CD2 3.23Å; R912-F928 PolarHBondContact O-N 3.07Å; R912-D958 IonicContact CZ-OD1 2.79Å; R912-D958 IonicContact CZ-OD2 2.68Å; R912-D958 IonicContact NE-OD1 2.68Å; R912-D958 PolarHBondContact NE-OD1 2.97Å; R912-D958 IonicContact NE-OD2 2.57Å; R912-D958 IonicContact NH2-OD1 3.65Å; R912-D958 PolarHBondContact NH2-OD1 2.87Å; R912-D958 IonicContact NH2-OD2 3.11Å; R912-D958 PolarHBondContact NH2-OD2 3.04Å; R912-E976 IonicContact NH1-OE2 3.32Å
913	Y	91	Very high	90.6	Very high	4 Å²	4	26.6 Å²	26.6	2%	0.016	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	157.7	-168.4	-43	-79.6	0	0	0	112.9	M910 V925 Y926 K927 V974 E976	M910-Y913 WeakPolarHBondContact CA-O 3.26Å; M910-Y913 HydrophobicContact CB-CD2 4.27Å; M910-Y913 HydrophobicContact CE-CD2 4.49Å; M910-Y913 PolarHBondContact N-O 3.4Å; M910-Y913 PolarHBondContact O-N 3.5Å; M910-Y913 VanDerWaalsContact O-O 3.13Å; M910-Y913 HydrophobicContact SD-CD2 4.08Å; Y913-V925 HydrophobicContact CD1-CG1 3.91Å; Y913-V925 HydrophobicContact CG-CG1 3.85Å; Y913-Y926 CarbonylContact C-O 3.5Å; Y913-Y926 WeakPolarHBondContact CA-O 3.29Å; Y913-K927 HydrophobicContact CD1-CB 4.07Å; Y913-K927 HydrophobicContact CD1-CG 4.21Å; Y913-K927 HydrophobicContact CE1-CB 4.32Å; Y913-K927 HydrophobicContact CE1-CG 4.12Å; Y913-V974 HydrophobicContact CD1-CG1 4.18Å; Y913-V974 HydrophobicContact CD2-CB 4.19Å; Y913-V974 HydrophobicContact CD2-CG1 3.65Å; Y913-V974 HydrophobicContact CE1-CG1 4Å; Y913-V974 HydrophobicContact CE2-CB 3.91Å; Y913-V974 HydrophobicContact CE2-CG1 3.41Å; Y913-V974 VanDerWaalsContact CE2-CG1 3.41Å; Y913-V974 HydrophobicContact CG-CG1 4.03Å; Y913-V974 PolarHBondContact OH-O 3.34Å; Y913-E976 HydrophobicContact CE1-CG 4.42Å; Y913-E976 WeakPolarHBondContact OH-CG 3.21Å
914	I	92.4	Very high	90.9	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	131.8	156.5	-52.7	179.2	0	0	0	107.8	L871 F877 V916 V925 Y926 F928 P934	L871-I914 HydrophobicContact CD1-CD1 4.49Å; L871-I914 HydrophobicContact CD2-CD1 3.99Å; L871-I914 HydrophobicContact CD2-CG1 4.2Å; F877-I914 HydrophobicContact CD1-CD1 3.88Å; F877-I914 HydrophobicContact CD1-CG1 4.5Å; F877-I914 HydrophobicContact CD1-CG2 4.24Å; F877-I914 HydrophobicContact CE1-CD1 4.34Å; F877-I914 HydrophobicContact CE1-CG2 3.68Å; F877-I914 HydrophobicContact CG-CD1 4.48Å; F877-I914 HydrophobicContact CZ-CG2 4.07Å; I914-V916 HydrophobicContact CG2-CG2 4.09Å; I914-V925 WeakPolarHBondContact O-CA 3.19Å; I914-Y926 PolarHBondContact N-O 3.08Å; I914-Y926 PolarHBondContact O-N 2.91Å; I914-F928 HydrophobicContact CD1-CE1 3.93Å; I914-F928 HydrophobicContact CD1-CZ 4.32Å; I914-F928 HydrophobicContact CG1-CE1 3.61Å; I914-F928 HydrophobicContact CG1-CZ 3.58Å; I914-P934 HydrophobicContact CD1-CB 4.1Å; I914-P934 HydrophobicContact CD1-CG 3.81Å
915	A	93.2	Very high	91.1	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	139.4	169.6	0	0	0	0	0	110.5	S907 C908 V923 L953 L960	S907-A915 CarbonylContact C-O 3.55Å; S907-A915 VanDerWaalsContact CA-O 3.27Å; S907-A915 WeakPolarHBondContact CA-O 3.19Å; C908-A915 PolarHBondContact N-O 2.99Å; C908-A915 PolarHBondContact O-N 2.98Å; A915-V923 HydrophobicContact CB-CG1 4.47Å; A915-L953 HydrophobicContact CB-CD1 4.34Å; A915-L960 HydrophobicContact CB-CD1 3.64Å; A915-L960 HydrophobicContact CB-CD2 3.59Å; A915-L960 HydrophobicContact CB-CG 4.3Å
916	V	93.8	Very high	91.2	Very high	4 Å²	4	24 Å²	24	2%	0.024	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	116.8	-176.1	-172.1	0	0	0	0	109	I885 I904 I914 V923 R924 Y926	I885-V916 HydrophobicContact CD1-CB 4.35Å; I885-V916 HydrophobicContact CD1-CG1 3.97Å; I885-V916 HydrophobicContact CD1-CG2 3.41Å; I885-V916 VanDerWaalsContact CD1-CG2 3.41Å; I904-V916 HydrophobicContact CG1-CG1 4.2Å; I904-V916 HydrophobicContact CG2-CG1 4.03Å; I914-V916 HydrophobicContact CG2-CG2 4.09Å; V916-V923 CarbonylContact O-C 3.36Å; V916-V923 WeakPolarHBondContact O-CA 3.3Å; V916-R924 PolarHBondContact N-O 2.82Å; V916-R924 PolarHBondContact O-N 3.45Å; V916-Y926 HydrophobicContact CB-CE2 4.17Å; V916-Y926 HydrophobicContact CG2-CD2 3.92Å; V916-Y926 HydrophobicContact CG2-CE2 3.67Å
917	G	93.1	Very high	91.1	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	145	174.9	0	0	0	0	0	111.2	S905 S906 L953	S905-G917 PolarHBondContact N-O 3.43Å; S905-G917 PolarHBondContact OG-O 3.45Å; S906-G917 PolarHBondContact N-O 2.79Å; S906-G917 PolarHBondContact O-N 3.03Å; G917-L953 VanDerWaalsContact N-CD1 3.33Å
918	D	91.6	Very high	91	Very high	2 Å²	2	27 Å²	27	1%	0.011	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	175.9	175.5	74.9	5.6	0	0	0	113.8	H902 K903 S905 E920 G921 A922 R924 V950	H902-D918 HydrophobicContact CB-CB 4.02Å; H902-D918 WeakPolarHBondContact CB-OD2 3.27Å; H902-D918 IonicContact CG-OD2 2.66Å; K903-D918 WeakPolarHBondContact O-CA 3.49Å; K903-D918 WeakPolarHBondContact O-CB 3.41Å; S905-D918 WeakPolarHBondContact OG-CA 3.31Å; S905-D918 PolarHBondContact OG-O 3.18Å; D918-E920 PolarHBondContact O-N 3.16Å; D918-E920 WeakPolarHBondContact OD1-CA 3.42Å; D918-E920 PolarHBondContact OD1-N 3.04Å; D918-G921 PolarHBondContact O-N 3.18Å; D918-G921 PolarHBondContact OD1-N 3.11Å; D918-A922 PolarHBondContact N-O 3.43Å; D918-A922 WeakPolarHBondContact OD1-CA 3.17Å; D918-A922 WeakPolarHBondContact OD1-CB 3.47Å; D918-A922 PolarHBondContact OD1-N 3.07Å; D918-R924 VanDerWaalsContact CG-NH1 3.28Å; D918-R924 IonicContact OD1-NH1 3.15Å; D918-R924 IonicContact OD2-CZ 2.74Å; D918-R924 IonicContact OD2-NH1 2.83Å; D918-R924 PolarHBondContact OD2-NH1 3.28Å; D918-R924 IonicContact OD2-NH2 3.85Å; D918-R924 PolarHBondContact OD2-NH2 3.42Å; D918-V950 PolarHBondContact O-N 2.73Å
919	S	89.4	Confident	90.8	Very high	15 Å²	15	30.7 Å²	30.7	11%	0.105	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64	-14.7	176.1	47.6	0	0	0	0	115	K903 A949	K903-S919 PolarHBondContact O-N 3.13Å; S919-A949 WeakPolarHBondContact O-CA 3.43Å; S919-A949 PolarHBondContact O-N 3.02Å
920	E	87.2	Confident	90.5	Very high	107 Å²	107	34.3 Å²	34.3	50%	0.5	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.5	11.7	-174.1	-40.2	-53.2	122	0	0	112.5	D918 A922 R947	D918-E920 PolarHBondContact O-N 3.16Å; D918-E920 WeakPolarHBondContact OD1-CA 3.42Å; D918-E920 PolarHBondContact OD1-N 3.04Å; E920-A922 VanDerWaalsContact C-N 3.31Å; E920-A922 PolarHBondContact O-N 3.39Å; E920-R947 CarbonylContact C-O 3.57Å
921	G	90.1	Very high	90.2	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.189	C	C	.	.	S	Bend	trans	75.9	12.6	-178.1	0	0	0	0	0	115.1	D918 F943 I944 G948	D918-G921 PolarHBondContact O-N 3.18Å; D918-G921 PolarHBondContact OD1-N 3.11Å; G921-F943 WeakPolarHBondContact O-CA 3.23Å; G921-I944 PolarHBondContact O-N 3.23Å; G921-G948 WeakPolarHBondContact CA-O 3.26Å; G921-G948 PolarHBondContact N-O 3.27Å
922	A	92.1	Very high	90.2	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	118.6	-175.6	0	0	0	0	0	112.4	D918 E920 R924 V941 Y942 F943	D918-A922 PolarHBondContact N-O 3.43Å; D918-A922 WeakPolarHBondContact OD1-CA 3.17Å; D918-A922 WeakPolarHBondContact OD1-CB 3.47Å; D918-A922 PolarHBondContact OD1-N 3.07Å; E920-A922 VanDerWaalsContact C-N 3.31Å; E920-A922 PolarHBondContact O-N 3.39Å; A922-R924 PolarHBondContact O-NH1 2.87Å; A922-R924 VanDerWaalsContact O-NH1 3.1Å; A922-V941 HydrophobicContact CB-CG1 4.36Å; A922-Y942 CarbonylContact C-O 3.51Å; A922-Y942 WeakPolarHBondContact CA-O 3.3Å; A922-F943 HydrophobicContact CB-CD1 3.78Å; A922-F943 HydrophobicContact CB-CE1 3.57Å; A922-F943 HydrophobicContact CB-CG 4.49Å; A922-F943 HydrophobicContact CB-CZ 4.11Å
923	V	93.5	Very high	90.2	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	108.6	176.7	-176.5	0	0	0	0	109.6	A915 V916 V941 Y942 V950 L953 L960 A962	A915-V923 HydrophobicContact CB-CG1 4.47Å; V916-V923 CarbonylContact O-C 3.36Å; V916-V923 WeakPolarHBondContact O-CA 3.3Å; V923-V941 WeakPolarHBondContact O-CA 3.47Å; V923-Y942 PolarHBondContact N-O 3.04Å; V923-Y942 PolarHBondContact O-N 3.25Å; V923-V950 HydrophobicContact CG2-CG1 4.11Å; V923-V950 HydrophobicContact CG2-CG2 3.93Å; V923-L953 HydrophobicContact CG1-CD2 4.17Å; V923-L953 HydrophobicContact CG2-CD2 4.34Å; V923-L960 HydrophobicContact CG1-CD2 3.58Å; V923-A962 HydrophobicContact CG2-CB 4.24Å
924	R	92.1	Very high	90.2	Very high	23 Å²	23	28.3 Å²	28.3	9%	0.087	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	132.3	179	-71.1	170.4	-164.5	71.6	-3.9	110.3	H902 V916 D918 A922 Y926 P938 V941	H902-R924 PolarHBondContact CD2-NE 3.09Å; H902-R924 PolarHBondContact CD2-NH2 2.79Å; H902-R924 PolarHBondContact CE1-NH2 3.12Å; H902-R924 PolarHBondContact ND1-NH2 2.86Å; H902-R924 PolarHBondContact NE2-NH2 2.98Å; V916-R924 PolarHBondContact N-O 2.82Å; V916-R924 PolarHBondContact O-N 3.45Å; D918-R924 VanDerWaalsContact CG-NH1 3.28Å; D918-R924 IonicContact OD1-NH1 3.15Å; D918-R924 IonicContact OD2-CZ 2.74Å; D918-R924 IonicContact OD2-NH1 2.83Å; D918-R924 PolarHBondContact OD2-NH1 3.28Å; D918-R924 IonicContact OD2-NH2 3.85Å; D918-R924 PolarHBondContact OD2-NH2 3.42Å; A922-R924 PolarHBondContact O-NH1 2.87Å; A922-R924 VanDerWaalsContact O-NH1 3.1Å; R924-Y926 HydrophobicContact CB-CE2 3.62Å; R924-P938 HydrophobicContact CB-CB 4.08Å; R924-P938 HydrophobicContact CG-CB 4.44Å; R924-P938 HydrophobicContact CG-CG 4.49Å; R924-V941 HydrophobicContact CG-CG1 4.07Å; R924-V941 HydrophobicContact CG-CG2 3.9Å
925	V	92.8	Very high	90	Very high	2 Å²	2	30.1 Å²	30.1	1%	0.012	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	124.4	-176	-176.7	0	0	0	0	111	Y913 I914 P938 V939 K940 Y942 V974	Y913-V925 HydrophobicContact CD1-CG1 3.91Å; Y913-V925 HydrophobicContact CG-CG1 3.85Å; I914-V925 WeakPolarHBondContact O-CA 3.19Å; V925-P938 CarbonylContact O-C 3.56Å; V925-P938 VanDerWaalsContact O-CA 3.32Å; V925-P938 WeakPolarHBondContact O-CA 3.31Å; V925-V939 PolarHBondContact O-N 3.36Å; V925-K940 PolarHBondContact N-O 3.26Å; V925-Y942 HydrophobicContact CG2-CD2 4.2Å; V925-Y942 HydrophobicContact CG2-CE2 3.95Å; V925-V974 HydrophobicContact CG1-CG1 3.84Å
926	Y	92.2	Very high	89.7	Confident	5 Å²	5	34.1 Å²	34.1	2%	0.02	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	123.5	-175.7	-57.8	-98.4	0	0	0	109.6	F899 V901 Y913 I914 V916 R924 V935 P938	F899-Y926 HydrophobicContact CD2-CE1 4.29Å; F899-Y926 HydrophobicContact CE2-CD1 4Å; F899-Y926 AromaticContact CE2-CE1 3.66Å; F899-Y926 HydrophobicContact CE2-CE1 3.66Å; F899-Y926 AromaticContact CE2-CZ 3.98Å; F899-Y926 HydrophobicContact CZ-CD1 4.34Å; F899-Y926 HydrophobicContact CZ-CE1 4.44Å; V901-Y926 VanDerWaalsContact CG1-OH 3.28Å; V901-Y926 WeakPolarHBondContact CG1-OH 3.16Å; Y913-Y926 CarbonylContact C-O 3.5Å; Y913-Y926 WeakPolarHBondContact CA-O 3.29Å; I914-Y926 PolarHBondContact N-O 3.08Å; I914-Y926 PolarHBondContact O-N 2.91Å; V916-Y926 HydrophobicContact CB-CE2 4.17Å; V916-Y926 HydrophobicContact CG2-CD2 3.92Å; V916-Y926 HydrophobicContact CG2-CE2 3.67Å; R924-Y926 HydrophobicContact CB-CE2 3.62Å; Y926-V935 WeakPolarHBondContact CD1-O 3.37Å; Y926-P938 HydrophobicContact CD1-CB 4.27Å; Y926-P938 HydrophobicContact CE1-CB 3.95Å; Y926-P938 HydrophobicContact CE1-CG 4.3Å; Y926-P938 HydrophobicContact CE2-CB 4.36Å
927	K	90.5	Very high	89.4	Confident	75 Å²	75	39.5 Å²	39.5	33%	0.326	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	139.4	-176.6	-173.6	-159.4	-177.4	136.4	0	112.3	Y913 P934 V935 V939 E976	Y913-K927 HydrophobicContact CD1-CB 4.07Å; Y913-K927 HydrophobicContact CD1-CG 4.21Å; Y913-K927 HydrophobicContact CE1-CB 4.32Å; Y913-K927 HydrophobicContact CE1-CG 4.12Å; K927-P934 CarbonylContact O-C 3.48Å; K927-P934 VanDerWaalsContact O-CA 3.28Å; K927-P934 WeakPolarHBondContact O-CA 3.46Å; K927-V935 HydrophobicContact CB-CG2 4.31Å; K927-V935 PolarHBondContact O-N 3.24Å; K927-V939 HydrophobicContact CB-CG2 3.75Å; K927-E976 WeakPolarHBondContact CD-OE1 2.94Å; K927-E976 WeakPolarHBondContact CE-OE1 3.4Å; K927-E976 WeakPolarHBondContact CG-OE1 3.48Å; K927-E976 IonicContact NZ-OE1 3.35Å; K927-E976 PolarHBondContact NZ-OE1 3.16Å; K927-E976 IonicContact NZ-OE2 3.04Å; K927-E976 PolarHBondContact NZ-OE2 3.31Å
928	F	89.7	Confident	89.2	Confident	25 Å²	25	40.4 Å²	40.4	11%	0.11	21%	0.211	C	C	.	.	B	Isolated β-bridge	trans	-67.8	135.8	168.3	-62.7	-53.3	0	0	0	112.8	L871 P872 V909 R912 I914 G932 P934	L871-F928 HydrophobicContact CD2-CE1 3.72Å; L871-F928 HydrophobicContact CD2-CZ 3.58Å; P872-F928 HydrophobicContact CG-CE2 4.33Å; V909-F928 HydrophobicContact CG1-CE2 4.44Å; V909-F928 HydrophobicContact CG1-CZ 4.24Å; R912-F928 WeakPolarHBondContact O-CD2 3.23Å; R912-F928 PolarHBondContact O-N 3.07Å; I914-F928 HydrophobicContact CD1-CE1 3.93Å; I914-F928 HydrophobicContact CD1-CZ 4.32Å; I914-F928 HydrophobicContact CG1-CE1 3.61Å; I914-F928 HydrophobicContact CG1-CZ 3.58Å; F928-G932 VanDerWaalsContact CD1-O 3.23Å; F928-G932 WeakPolarHBondContact CD1-O 3.33Å; F928-P934 HydrophobicContact CD1-CB 4.26Å; F928-P934 HydrophobicContact CE1-CB 4.43Å
929	Q	88.8	Confident	89	Confident	94 Å²	94	43.1 Å²	43.1	44%	0.439	23%	0.228	S	C	.	.	P	Polyproline II helix	trans	-82.8	172.2	167.5	-61	178.4	-13.7	0	0	110.5	N931 G932 L933 V935	Q929-N931 WeakPolarHBondContact CB-OD1 3.26Å; Q929-N931 PolarHBondContact O-N 2.93Å; Q929-N931 PolarHBondContact OE1-ND2 3.2Å; Q929-G932 PolarHBondContact O-N 3.13Å; Q929-L933 WeakPolarHBondContact CB-O 3.18Å; Q929-L933 PolarHBondContact N-O 3.32Å; Q929-V935 HydrophobicContact CG-CG1 3.98Å
930	S	85	Confident	89	Confident	116 Å²	116	43.3 Å²	43.3	81%	0.811	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-23.9	179.6	51.4	0	0	0	0	114.5	K873 G932	K873-S930 PolarHBondContact NZ-O 3.4Å; S930-G932 VanDerWaalsContact C-N 3.32Å
931	N	84	Confident	89.2	Confident	82 Å²	82	38.7 Å²	38.7	44%	0.439	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-19.1	173.2	58.6	13.6	0	0	0	113.2	K873 Q929 L933	K873-N931 VanDerWaalsContact CD-O 3.24Å; K873-N931 WeakPolarHBondContact CD-O 3.18Å; Q929-N931 WeakPolarHBondContact CB-OD1 3.26Å; Q929-N931 PolarHBondContact O-N 2.93Å; Q929-N931 PolarHBondContact OE1-ND2 3.2Å; N931-L933 WeakPolarHBondContact OD1-CB 3.26Å; N931-L933 PolarHBondContact OD1-N 3.1Å
932	G	83.6	Confident	89.2	Confident	7 Å²	7	38.8 Å²	38.8	7%	0.072	21%	0.206	C	C	.	.	S	Bend	trans	101.3	-12.8	-174	0	0	0	0	0	114.6	F928 Q929 S930	F928-G932 VanDerWaalsContact CD1-O 3.23Å; F928-G932 WeakPolarHBondContact CD1-O 3.33Å; Q929-G932 PolarHBondContact O-N 3.13Å; S930-G932 VanDerWaalsContact C-N 3.32Å
933	L	88.3	Confident	89	Confident	35 Å²	35	40.3 Å²	40.3	18%	0.183	21%	0.213	C	C	.	.	P	Polyproline II helix	trans	-82.8	146.8	175.6	-60.7	176.6	0	0	0	110.7	I887 E896 Q929 N931	I887-L933 HydrophobicContact CD1-CD2 4.31Å; I887-L933 HydrophobicContact CG2-CD2 3.77Å; E896-L933 HydrophobicContact CB-CD2 4.2Å; Q929-L933 WeakPolarHBondContact CB-O 3.18Å; Q929-L933 PolarHBondContact N-O 3.32Å; N931-L933 WeakPolarHBondContact OD1-CB 3.26Å; N931-L933 PolarHBondContact OD1-N 3.1Å
934	P	90.5	Very high	88.7	Confident	3 Å²	3	40.4 Å²	40.4	2%	0.019	21%	0.214	C	C	.	.	B	Isolated β-bridge	trans	-73.3	156	174	33.7	-37	0	0	0	111.8	I887 L897 F899 I914 K927 F928	I887-P934 HydrophobicContact CD1-CG 3.42Å; I887-P934 VanDerWaalsContact CD1-CG 3.42Å; L897-P934 HydrophobicContact CD2-CG 4.25Å; F899-P934 HydrophobicContact CE1-CG 4.2Å; I914-P934 HydrophobicContact CD1-CB 4.1Å; I914-P934 HydrophobicContact CD1-CG 3.81Å; K927-P934 CarbonylContact O-C 3.48Å; K927-P934 VanDerWaalsContact O-CA 3.28Å; K927-P934 WeakPolarHBondContact O-CA 3.46Å; F928-P934 HydrophobicContact CD1-CB 4.26Å; F928-P934 HydrophobicContact CE1-CB 4.43Å
935	V	88.8	Confident	88	Confident	38 Å²	38	44.1 Å²	44.1	23%	0.23	24%	0.243	C	C	.	.	P	Polyproline II helix	trans	-61.4	146.6	159.4	-71.9	0	0	0	0	110.7	Y926 K927 Q929 R937 V939	Y926-V935 WeakPolarHBondContact CD1-O 3.37Å; K927-V935 HydrophobicContact CB-CG2 4.31Å; K927-V935 PolarHBondContact O-N 3.24Å; Q929-V935 HydrophobicContact CG-CG1 3.98Å; V935-R937 WeakPolarHBondContact CG2-O 3.38Å; V935-V939 HydrophobicContact CG2-CG2 3.91Å
936	T	87.4	Confident	87.2	Confident	83 Å²	83	47.4 Å²	47.4	51%	0.509	26%	0.263	S	S	.	.	S	Bend	trans	-79.7	-17.9	179.1	50.9	0	0	0	0	114.1	L897 F899	L897-T936 HydrophobicContact CD1-CG2 3.99Å; L897-T936 HydrophobicContact CD2-CG2 4.1Å; L897-T936 HydrophobicContact CG-CG2 4.41Å; F899-T936 HydrophobicContact CB-CG2 4.11Å; F899-T936 HydrophobicContact CD1-CG2 4.26Å; F899-T936 HydrophobicContact CG-CG2 4.33Å
937	R	86	Confident	86.7	Confident	118 Å²	118	51.8 Å²	51.8	45%	0.445	28%	0.28	S	S	.	.	S	Bend	trans	-99.3	136.2	172.6	-167.3	179.4	-160.7	143.5	10	109	V935 C993 I995	V935-R937 WeakPolarHBondContact CG2-O 3.38Å; R937-C993 PolarHBondContact NE-O 3.39Å; R937-C993 VanDerWaalsContact NE-O 3.09Å; R937-C993 PolarHBondContact NH1-O 2.96Å; R937-C993 PolarHBondContact NH2-SG 3.25Å; R937-I995 HydrophobicContact CG-CD1 4.32Å; R937-I995 HydrophobicContact CG-CG1 4.29Å
938	P	89.1	Confident	86.5	Confident	18 Å²	18	49.2 Å²	49.2	12%	0.117	27%	0.274	C	S	.	.			trans	-63.6	141.5	173.5	28.1	-34.4	0	0	0	110.1	R924 V925 Y926 V941 I995	R924-P938 HydrophobicContact CB-CB 4.08Å; R924-P938 HydrophobicContact CG-CB 4.44Å; R924-P938 HydrophobicContact CG-CG 4.49Å; V925-P938 CarbonylContact O-C 3.56Å; V925-P938 VanDerWaalsContact O-CA 3.32Å; V925-P938 WeakPolarHBondContact O-CA 3.31Å; Y926-P938 HydrophobicContact CD1-CB 4.27Å; Y926-P938 HydrophobicContact CE1-CB 3.95Å; Y926-P938 HydrophobicContact CE1-CG 4.3Å; Y926-P938 HydrophobicContact CE2-CB 4.36Å; P938-V941 HydrophobicContact CB-CG2 4.33Å; P938-V941 HydrophobicContact CG-CG2 4.23Å; P938-I995 HydrophobicContact CG-CD1 4.17Å
939	V	88.6	Confident	86.6	Confident	60 Å²	60	48.4 Å²	48.4	36%	0.364	27%	0.272	S	S	.	.	S	Bend	trans	-81	-34.1	174.3	178.7	0	0	0	0	110.2	V925 K927 V935 G996	V925-V939 PolarHBondContact O-N 3.36Å; K927-V939 HydrophobicContact CB-CG2 3.75Å; V935-V939 HydrophobicContact CG2-CG2 3.91Å; V939-G996 PolarHBondContact O-N 3.1Å
940	K	89.3	Confident	86.8	Confident	19 Å²	19	43.9 Å²	43.9	8%	0.083	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	148.9	179.5	-163.5	169.2	175	-166.9	0	111.3	V925 Y942 N980 G996	V925-K940 PolarHBondContact N-O 3.26Å; K940-Y942 HydrophobicContact CB-CE2 4.45Å; K940-Y942 HydrophobicContact CD-CE1 4.12Å; K940-Y942 HydrophobicContact CD-CE2 3.94Å; K940-Y942 WeakPolarHBondContact CD-OH 3.33Å; K940-Y942 VanDerWaalsContact CE-CE1 3.4Å; K940-Y942 WeakPolarHBondContact CE-OH 3.46Å; K940-Y942 HydrophobicContact CG-CE2 4.02Å; K940-Y942 VanDerWaalsContact NZ-CE1 3.3Å; K940-Y942 VanDerWaalsContact NZ-CZ 3.34Å; K940-Y942 PolarHBondContact NZ-OH 3.31Å; K940-N980 WeakPolarHBondContact CE-OD1 3.4Å; K940-N980 PolarHBondContact NZ-OD1 3.32Å; K940-G996 CarbonylContact C-O 3.43Å; K940-G996 WeakPolarHBondContact CA-O 3.41Å; K940-G996 WeakPolarHBondContact CG-O 3.36Å
941	V	90.4	Very high	87.2	Confident	9 Å²	9	38.9 Å²	38.9	6%	0.055	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	138.3	172.9	-171.1	0	0	0	0	109.3	A922 V923 R924 P938 F943 I995 G996 F997	A922-V941 HydrophobicContact CB-CG1 4.36Å; V923-V941 WeakPolarHBondContact O-CA 3.47Å; R924-V941 HydrophobicContact CG-CG1 4.07Å; R924-V941 HydrophobicContact CG-CG2 3.9Å; P938-V941 HydrophobicContact CB-CG2 4.33Å; P938-V941 HydrophobicContact CG-CG2 4.23Å; V941-F943 HydrophobicContact CG1-CD2 4.47Å; V941-F943 HydrophobicContact CG1-CE2 4Å; V941-F943 HydrophobicContact CG1-CZ 4.4Å; V941-I995 HydrophobicContact CG2-CG2 3.68Å; V941-G996 PolarHBondContact N-O 3.4Å; V941-F997 HydrophobicContact CB-CD1 4.15Å; V941-F997 HydrophobicContact CB-CE1 3.78Å; V941-F997 HydrophobicContact CB-CZ 4.47Å; V941-F997 HydrophobicContact CG1-CE1 4.38Å; V941-F997 HydrophobicContact CG2-CE1 4.23Å; V941-F997 HydrophobicContact CG2-CZ 4.47Å
942	Y	90	Very high	87.7	Confident	2 Å²	2	35.2 Å²	35.2	1%	0.008	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	145.7	172.1	-56.1	-94	0	0	0	108.3	A922 V923 V925 K940 I972 V973 M998	A922-Y942 CarbonylContact C-O 3.51Å; A922-Y942 WeakPolarHBondContact CA-O 3.3Å; V923-Y942 PolarHBondContact N-O 3.04Å; V923-Y942 PolarHBondContact O-N 3.25Å; V925-Y942 HydrophobicContact CG2-CD2 4.2Å; V925-Y942 HydrophobicContact CG2-CE2 3.95Å; K940-Y942 HydrophobicContact CB-CE2 4.45Å; K940-Y942 HydrophobicContact CD-CE1 4.12Å; K940-Y942 HydrophobicContact CD-CE2 3.94Å; K940-Y942 WeakPolarHBondContact CD-OH 3.33Å; K940-Y942 VanDerWaalsContact CE-CE1 3.4Å; K940-Y942 WeakPolarHBondContact CE-OH 3.46Å; K940-Y942 HydrophobicContact CG-CE2 4.02Å; K940-Y942 VanDerWaalsContact NZ-CE1 3.3Å; K940-Y942 VanDerWaalsContact NZ-CZ 3.34Å; K940-Y942 PolarHBondContact NZ-OH 3.31Å; Y942-I972 HydrophobicContact CD1-CD1 4.42Å; Y942-I972 HydrophobicContact CD1-CG2 3.58Å; Y942-I972 HydrophobicContact CD2-CG2 4.03Å; Y942-I972 HydrophobicContact CE1-CG2 3.25Å; Y942-I972 HydrophobicContact CE2-CG2 3.73Å; Y942-I972 HydrophobicContact CG-CD1 4.15Å; Y942-I972 HydrophobicContact CG-CG2 3.94Å; Y942-V973 PolarHBondContact OH-O 2.92Å; Y942-V973 VanDerWaalsContact OH-O 3.1Å; Y942-M998 HydrophobicContact CD1-CB 4.02Å; Y942-M998 HydrophobicContact CD1-CG 4.5Å; Y942-M998 HydrophobicContact CD1-SD 3.91Å; Y942-M998 HydrophobicContact CE1-CB 4.43Å; Y942-M998 HydrophobicContact CE1-SD 4.1Å
943	F	88.9	Confident	88.3	Confident	32 Å²	32	36 Å²	36	14%	0.14	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	139.1	166.9	-67.3	-98.7	0	0	0	108.1	G921 A922 V941 F997 D1002	G921-F943 WeakPolarHBondContact O-CA 3.23Å; A922-F943 HydrophobicContact CB-CD1 3.78Å; A922-F943 HydrophobicContact CB-CE1 3.57Å; A922-F943 HydrophobicContact CB-CG 4.49Å; A922-F943 HydrophobicContact CB-CZ 4.11Å; V941-F943 HydrophobicContact CG1-CD2 4.47Å; V941-F943 HydrophobicContact CG1-CE2 4Å; V941-F943 HydrophobicContact CG1-CZ 4.4Å; F943-F997 HydrophobicContact CE2-CD1 4.33Å; F943-F997 HydrophobicContact CE2-CE1 4.29Å; F943-D1002 HydrophobicContact CD2-CB 3.62Å; F943-D1002 WeakPolarHBondContact CD2-OD1 3.5Å; F943-D1002 WeakPolarHBondContact CD2-OD2 3.28Å; F943-D1002 HydrophobicContact CE2-CB 3.79Å
944	I	86.4	Confident	88.6	Confident	3 Å²	3	35 Å²	35	2%	0.015	20%	0.195	C	C	.	.			trans	-74.5	149.1	167	72.5	175.2	0	0	0	109.3	G921 T946 R947 G948	G921-I944 PolarHBondContact O-N 3.23Å; I944-T946 PolarHBondContact O-N 3.48Å; I944-T946 VanDerWaalsContact O-N 3.12Å; I944-R947 PolarHBondContact O-N 3Å; I944-G948 WeakPolarHBondContact CD1-O 3.43Å
945	S	77.8	Confident	88.7	Confident	101 Å²	101	36.4 Å²	36.4	71%	0.706	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-32.8	-167.8	-55.8	0	0	0	0	114.1	E653	E653-S945 WeakPolarHBondContact OE2-CB 3.42Å; E653-S945 PolarHBondContact OE2-OG 3.27Å
946	T	76.5	Confident	88.8	Confident	71 Å²	71	35.6 Å²	35.6	44%	0.436	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.3	-11.5	-177.1	59.4	0	0	0	0	114.1	I944 G948 D966	I944-T946 PolarHBondContact O-N 3.48Å; I944-T946 VanDerWaalsContact O-N 3.12Å; T946-G948 PolarHBondContact O-N 3.33Å; T946-G948 VanDerWaalsContact O-N 3.13Å; T946-D966 WeakPolarHBondContact CB-OD2 3.43Å; T946-D966 WeakPolarHBondContact CG2-OD2 3.41Å; T946-D966 PolarHBondContact OG1-OD2 3.25Å
947	R	81.8	Confident	88.7	Confident	97 Å²	97	33.8 Å²	33.8	37%	0.366	20%	0.199	S	C	.	.			trans	52.1	23.4	-173.7	-63.9	-173.4	172	-166.5	-3	115.3	E920 I944 D1002 H1005	E920-R947 CarbonylContact C-O 3.57Å; I944-R947 PolarHBondContact O-N 3Å; R947-D1002 IonicContact CZ-OD1 2.68Å; R947-D1002 IonicContact NH2-OD1 2.72Å; R947-D1002 PolarHBondContact NH2-OD1 3.44Å; R947-H1005 PolarHBondContact NH1-CE1 3.3Å; R947-H1005 VanDerWaalsContact NH1-CE1 3.34Å; R947-H1005 PolarHBondContact NH1-NE2 3.34Å
948	G	85	Confident	88.8	Confident	20 Å²	20	30.4 Å²	30.4	21%	0.206	19%	0.189	C	C	.	.			trans	-71.5	161	168.5	0	0	0	0	0	112.4	G921 I944 T946 V950	G921-G948 WeakPolarHBondContact CA-O 3.26Å; G921-G948 PolarHBondContact N-O 3.27Å; I944-G948 WeakPolarHBondContact CD1-O 3.43Å; T946-G948 PolarHBondContact O-N 3.33Å; T946-G948 VanDerWaalsContact O-N 3.13Å; G948-V950 PolarHBondContact O-N 2.95Å
949	A	91.6	Very high	88.9	Confident	8 Å²	8	30.3 Å²	30.3	7%	0.066	19%	0.188	C	C	.	.			trans	-56.3	134.1	-179.7	0	0	0	0	0	112.5	S919 T951 S964 L965	S919-A949 WeakPolarHBondContact O-CA 3.43Å; S919-A949 PolarHBondContact O-N 3.02Å; A949-T951 PolarHBondContact O-N 3.45Å; A949-S964 WeakPolarHBondContact O-CA 3.47Å; A949-L965 HydrophobicContact CB-CB 4.33Å; A949-L965 HydrophobicContact CB-CD2 4.25Å; A949-L965 PolarHBondContact O-N 3.4Å; A949-L965 VanDerWaalsContact O-N 3.1Å
950	V	94	Very high	89.1	Confident	0 Å²	0	27.4 Å²	27.4	0%	0	17%	0.171	C	C	.	.			trans	-80.5	87.4	177.6	-169.6	0	0	0	0	108.8	S905 S906 D918 V923 G948 S952 L953 A962 G963	S905-V950 WeakPolarHBondContact CB-O 3.49Å; S905-V950 PolarHBondContact OG-O 3.32Å; S906-V950 WeakPolarHBondContact CB-O 3.26Å; S906-V950 PolarHBondContact OG-O 2.94Å; D918-V950 PolarHBondContact O-N 2.73Å; V923-V950 HydrophobicContact CG2-CG1 4.11Å; V923-V950 HydrophobicContact CG2-CG2 3.93Å; G948-V950 PolarHBondContact O-N 2.95Å; V950-S952 VanDerWaalsContact C-N 3.35Å; V950-S952 PolarHBondContact O-N 2.89Å; V950-L953 HydrophobicContact CG1-CD2 4.15Å; V950-L953 HydrophobicContact CG1-CG 4.02Å; V950-A962 HydrophobicContact CG1-CB 4.04Å; V950-G963 CarbonylContact C-O 3.58Å
951	T	93.7	Very high	89.4	Confident	11 Å²	11	26.5 Å²	26.5	7%	0.067	17%	0.167	C	C	.	.			trans	-71	-26.5	-172.7	47.8	0	0	0	0	113.6	I160 V664 A949 G963 S964 L965	I160-T951 HydrophobicContact CD1-CG2 3.99Å; I160-T951 HydrophobicContact CG1-CG2 4.46Å; I160-T951 HydrophobicContact CG2-CG2 4.18Å; V664-T951 WeakPolarHBondContact O-CB 3.42Å; V664-T951 PolarHBondContact O-OG1 3.26Å; A949-T951 PolarHBondContact O-N 3.45Å; T951-G963 PolarHBondContact N-O 2.94Å; T951-G963 PolarHBondContact OG1-O 3.04Å; T951-G963 VanDerWaalsContact OG1-O 3.12Å; T951-S964 WeakPolarHBondContact OG1-CA 3.08Å; T951-L965 HydrophobicContact CG2-CB 4.06Å; T951-L965 HydrophobicContact CG2-CD1 4.42Å
952	S	94.4	Very high	89.7	Confident	5 Å²	5	26.1 Å²	26.1	4%	0.035	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	148	-179.4	53.3	0	0	0	0	112.9	V664 V950 G963	V664-S952 VanDerWaalsContact CG1-OG 3.29Å; V664-S952 WeakPolarHBondContact CG1-OG 3.49Å; V950-S952 VanDerWaalsContact C-N 3.35Å; V950-S952 PolarHBondContact O-N 2.89Å; S952-G963 PolarHBondContact N-O 2.7Å; S952-G963 VanDerWaalsContact N-O 3.14Å; S952-G963 PolarHBondContact O-N 2.85Å
953	L	95.4	Very high	89.9	Confident	22 Å²	22	26 Å²	26	12%	0.115	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	129.5	177.3	-80.2	170.6	0	0	0	110.3	S906 C908 A915 G917 V923 V950 L960 I961 A962	S906-L953 WeakPolarHBondContact OG-CD1 3.43Å; S906-L953 WeakPolarHBondContact OG-CG 3.47Å; C908-L953 HydrophobicContact CB-CB 3.81Å; A915-L953 HydrophobicContact CB-CD1 4.34Å; G917-L953 VanDerWaalsContact N-CD1 3.33Å; V923-L953 HydrophobicContact CG1-CD2 4.17Å; V923-L953 HydrophobicContact CG2-CD2 4.34Å; V950-L953 HydrophobicContact CG1-CD2 4.15Å; V950-L953 HydrophobicContact CG1-CG 4.02Å; L953-L960 HydrophobicContact CD2-CD1 4.11Å; L953-L960 HydrophobicContact CD2-CD2 4.12Å; L953-L960 HydrophobicContact CD2-CG 4.07Å; L953-I961 WeakPolarHBondContact CA-O 3.42Å; L953-A962 HydrophobicContact CD2-CB 3.65Å
954	A	95.1	Very high	90.2	Very high	14 Å²	14	24.6 Å²	24.6	12%	0.116	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	164	174.2	0	0	0	0	0	110.1	M667 I669 I961	M667-A954 HydrophobicContact CB-CB 4.35Å; M667-A954 HydrophobicContact CE-CB 4.42Å; I669-A954 HydrophobicContact CD1-CB 3.58Å; I669-A954 HydrophobicContact CG1-CB 3.99Å; A954-I961 PolarHBondContact N-O 2.92Å; A954-I961 PolarHBondContact O-N 2.75Å
955	S	93.3	Very high	90.5	Very high	34 Å²	34	26.3 Å²	26.3	24%	0.238	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	149.2	-175.3	64.2	0	0	0	0	114.4	T959	S955-T959 CarbonylContact C-O 3.59Å; S955-T959 WeakPolarHBondContact CA-O 3.45Å; S955-T959 VanDerWaalsContact CB-O 3.27Å; S955-T959 WeakPolarHBondContact CB-O 3.34Å
956	V	90.3	Very high	91	Very high	21 Å²	21	23.1 Å²	23.1	13%	0.127	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	106	169.2	-178.7	0	0	0	0	108.6	I649 I669 P671 D958 T959	I649-V956 HydrophobicContact CD1-CB 4.43Å; I649-V956 HydrophobicContact CD1-CG1 4.42Å; I669-V956 HydrophobicContact CB-CG2 4.15Å; I669-V956 HydrophobicContact CD1-CG2 4.22Å; I669-V956 HydrophobicContact CG2-CG2 3.5Å; I669-V956 VanDerWaalsContact CG2-CG2 3.5Å; P671-V956 HydrophobicContact CB-CG1 4.35Å; V956-D958 PolarHBondContact O-N 3.11Å; V956-T959 PolarHBondContact N-O 3.48Å; V956-T959 WeakPolarHBondContact O-CB 3.32Å; V956-T959 PolarHBondContact O-N 3.43Å; V956-T959 PolarHBondContact O-OG1 3.07Å
957	G	86.3	Confident	91.7	Very high	45 Å²	45	19.8 Å²	19.8	46%	0.464	12%	0.121	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.5	-123.6	-175.3	0	0	0	0	0	112.3	M910 T959	M910-G957 WeakPolarHBondContact CE-O 3.37Å; G957-T959 VanDerWaalsContact C-N 3.3Å
958	D	87.3	Confident	92.2	Very high	47 Å²	47	15.1 Å²	15.1	25%	0.251	10%	0.104	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85	3.3	172.7	-71.3	-44.4	0	0	0	113.4	M910 R912 V956 V974	M910-D958 VanDerWaalsContact CE-C 3.41Å; M910-D958 WeakPolarHBondContact CE-O 3.3Å; R912-D958 IonicContact CZ-OD1 2.79Å; R912-D958 IonicContact CZ-OD2 2.68Å; R912-D958 IonicContact NE-OD1 2.68Å; R912-D958 PolarHBondContact NE-OD1 2.97Å; R912-D958 IonicContact NE-OD2 2.57Å; R912-D958 IonicContact NH2-OD1 3.65Å; R912-D958 PolarHBondContact NH2-OD1 2.87Å; R912-D958 IonicContact NH2-OD2 3.11Å; R912-D958 PolarHBondContact NH2-OD2 3.04Å; V956-D958 PolarHBondContact O-N 3.11Å; D958-V974 PolarHBondContact O-N 3.31Å
959	T	91	Very high	92.7	Very high	15 Å²	15	14.2 Å²	14.2	9%	0.092	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	132.9	175.9	-44.3	0	0	0	0	110.7	I649 S955 V956 G957 I961 V971 I972 V973	I649-T959 HydrophobicContact CD1-CG2 4.32Å; I649-T959 HydrophobicContact CG2-CG2 3.95Å; S955-T959 CarbonylContact C-O 3.59Å; S955-T959 WeakPolarHBondContact CA-O 3.45Å; S955-T959 VanDerWaalsContact CB-O 3.27Å; S955-T959 WeakPolarHBondContact CB-O 3.34Å; V956-T959 PolarHBondContact N-O 3.48Å; V956-T959 WeakPolarHBondContact O-CB 3.32Å; V956-T959 PolarHBondContact O-N 3.43Å; V956-T959 PolarHBondContact O-OG1 3.07Å; G957-T959 VanDerWaalsContact C-N 3.3Å; T959-I961 HydrophobicContact CG2-CD1 4.26Å; T959-V971 HydrophobicContact CG2-CG1 3.7Å; T959-I972 CarbonylContact C-O 3.54Å; T959-I972 WeakPolarHBondContact CA-O 3.3Å; T959-I972 WeakPolarHBondContact CG2-O 3.42Å; T959-V973 HydrophobicContact CG2-CG2 4.1Å
960	L	93.8	Very high	92.8	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	136	177.4	-173.1	70.6	0	0	0	109.4	M910 A915 V923 L953 I972 V974	M910-L960 HydrophobicContact CE-CB 4.13Å; M910-L960 HydrophobicContact CG-CD1 4.42Å; M910-L960 HydrophobicContact SD-CB 4.23Å; M910-L960 HydrophobicContact SD-CD1 4.02Å; A915-L960 HydrophobicContact CB-CD1 3.64Å; A915-L960 HydrophobicContact CB-CD2 3.59Å; A915-L960 HydrophobicContact CB-CG 4.3Å; V923-L960 HydrophobicContact CG1-CD2 3.58Å; L953-L960 HydrophobicContact CD2-CD1 4.11Å; L953-L960 HydrophobicContact CD2-CD2 4.12Å; L953-L960 HydrophobicContact CD2-CG 4.07Å; L960-I972 PolarHBondContact N-O 3.29Å; L960-I972 PolarHBondContact O-N 2.87Å; L960-V974 HydrophobicContact CB-CG2 4.25Å
961	I	95	Very high	92.8	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	121.5	178.9	-58.1	73	0	0	0	106.7	M667 I669 L690 L953 A954 T959 V969 T970 V971	M667-I961 HydrophobicContact CE-CB 4.38Å; M667-I961 HydrophobicContact CE-CG2 3.89Å; M667-I961 WeakPolarHBondContact CE-O 3.46Å; M667-I961 HydrophobicContact SD-CG2 3.87Å; I669-I961 HydrophobicContact CD1-CB 4.05Å; I669-I961 HydrophobicContact CD1-CD1 3.5Å; I669-I961 VanDerWaalsContact CD1-CD1 3.5Å; I669-I961 HydrophobicContact CD1-CG1 3.74Å; L690-I961 HydrophobicContact CD1-CD1 4.32Å; L690-I961 HydrophobicContact CD1-CG1 4.27Å; L690-I961 HydrophobicContact CD2-CG1 4.2Å; L953-I961 WeakPolarHBondContact CA-O 3.42Å; A954-I961 PolarHBondContact N-O 2.92Å; A954-I961 PolarHBondContact O-N 2.75Å; T959-I961 HydrophobicContact CG2-CD1 4.26Å; I961-V969 HydrophobicContact CG2-CG1 3.54Å; I961-T970 WeakPolarHBondContact CA-O 3.1Å; I961-V971 HydrophobicContact CG1-CG1 4.47Å; I961-V971 HydrophobicContact CG1-CG2 4.44Å
962	A	95.8	Very high	92.6	Very high	1 Å²	1	14.1 Å²	14.1	1%	0.008	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	120.5	-179.2	0	0	0	0	0	110.1	V923 V950 L953 V969 T970	V923-A962 HydrophobicContact CG2-CB 4.24Å; V950-A962 HydrophobicContact CG1-CB 4.04Å; L953-A962 HydrophobicContact CD2-CB 3.65Å; A962-V969 CarbonylContact O-C 3.58Å; A962-V969 WeakPolarHBondContact O-CA 3.48Å; A962-T970 PolarHBondContact N-O 3.06Å; A962-T970 PolarHBondContact O-N 3.41Å
963	G	94.9	Very high	92.3	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	145.1	173.9	0	0	0	0	0	110.6	V950 T951 S952	V950-G963 CarbonylContact C-O 3.58Å; T951-G963 PolarHBondContact N-O 2.94Å; T951-G963 PolarHBondContact OG1-O 3.04Å; T951-G963 VanDerWaalsContact OG1-O 3.12Å; S952-G963 PolarHBondContact N-O 2.7Å; S952-G963 VanDerWaalsContact N-O 3.14Å; S952-G963 PolarHBondContact O-N 2.85Å
964	S	94.5	Very high	91.9	Very high	1 Å²	1	14.5 Å²	14.5	1%	0.007	10%	0.095	C	C	.	.			trans	-129.9	166.3	-171.1	47.8	0	0	0	0	115.2	V664 A949 T951 D966 G967 S968	V664-S964 PolarHBondContact N-O 3.42Å; A949-S964 WeakPolarHBondContact O-CA 3.47Å; T951-S964 WeakPolarHBondContact OG1-CA 3.08Å; S964-D966 VanDerWaalsContact CB-OD1 3.29Å; S964-D966 WeakPolarHBondContact CB-OD1 3.39Å; S964-D966 PolarHBondContact O-N 3.16Å; S964-D966 VanDerWaalsContact O-N 3.15Å; S964-D966 PolarHBondContact OG-OD1 2.9Å; S964-G967 PolarHBondContact O-N 3.19Å; S964-S968 PolarHBondContact N-O 2.67Å; S964-S968 VanDerWaalsContact N-O 3.1Å; S964-S968 WeakPolarHBondContact OG-CB 3.38Å; S964-S968 PolarHBondContact OG-O 3.01Å; S964-S968 VanDerWaalsContact OG-O 3.09Å
965	L	92.3	Very high	91	Very high	39 Å²	39	18 Å²	18	20%	0.204	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-21.2	-175.8	-176.4	56	0	0	0	114.8	I160 I164 A663 A949 T951	I160-L965 HydrophobicContact CG2-CD1 3.55Å; I160-L965 HydrophobicContact CG2-CD2 4.12Å; I160-L965 HydrophobicContact CG2-CG 4.41Å; I164-L965 HydrophobicContact CD1-CD2 3.8Å; A663-L965 VanDerWaalsContact CA-O 3.24Å; A663-L965 WeakPolarHBondContact CA-O 3.33Å; A663-L965 HydrophobicContact CB-CD1 3.91Å; A663-L965 VanDerWaalsContact CB-O 3.27Å; A663-L965 WeakPolarHBondContact CB-O 3.43Å; A663-L965 PolarHBondContact N-O 3.22Å; A949-L965 HydrophobicContact CB-CB 4.33Å; A949-L965 HydrophobicContact CB-CD2 4.25Å; A949-L965 PolarHBondContact O-N 3.4Å; A949-L965 VanDerWaalsContact O-N 3.1Å; T951-L965 HydrophobicContact CG2-CB 4.06Å; T951-L965 HydrophobicContact CG2-CD1 4.42Å
966	D	89.7	Confident	89.8	Confident	35 Å²	35	19.9 Å²	19.9	19%	0.187	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.3	-3.4	179	58.3	-0.8	0	0	0	114.1	A661 T946 S964 S968	A661-D966 WeakPolarHBondContact CA-O 3.35Å; T946-D966 WeakPolarHBondContact CB-OD2 3.43Å; T946-D966 WeakPolarHBondContact CG2-OD2 3.41Å; T946-D966 PolarHBondContact OG1-OD2 3.25Å; S964-D966 VanDerWaalsContact CB-OD1 3.29Å; S964-D966 WeakPolarHBondContact CB-OD1 3.39Å; S964-D966 PolarHBondContact O-N 3.16Å; S964-D966 VanDerWaalsContact O-N 3.15Å; S964-D966 PolarHBondContact OG-OD1 2.9Å; D966-S968 WeakPolarHBondContact OD1-CB 3.43Å; D966-S968 PolarHBondContact OD1-N 2.94Å
967	G	90.9	Very high	88.4	Confident	0 Å²	0	25.1 Å²	25.1	0%	0	15%	0.152	C	C	.	.	S	Bend	trans	84.6	6.5	-175.3	0	0	0	0	0	115.2	H655 A656 T662 S964	H655-G967 WeakPolarHBondContact CA-O 3.1Å; A656-G967 PolarHBondContact N-O 3Å; A656-G967 VanDerWaalsContact N-O 3.1Å; T662-G967 WeakPolarHBondContact O-CA 3.48Å; T662-G967 PolarHBondContact O-N 3.38Å; S964-G967 PolarHBondContact O-N 3.19Å
968	S	92.6	Very high	86.6	Confident	0 Å²	0	24.2 Å²	24.2	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	152.9	165.7	-95.3	0	0	0	0	112	E653 H655 S964 D966	E653-S968 VanDerWaalsContact OE1-CB 3.27Å; E653-S968 WeakPolarHBondContact OE1-CB 3.25Å; E653-S968 PolarHBondContact OE1-OG 2.9Å; H655-S968 PolarHBondContact CE1-OG 3.18Å; H655-S968 PolarHBondContact ND1-N 2.63Å; H655-S968 PolarHBondContact ND1-OG 3.41Å; S964-S968 PolarHBondContact N-O 2.67Å; S964-S968 VanDerWaalsContact N-O 3.1Å; S964-S968 WeakPolarHBondContact OG-CB 3.38Å; S964-S968 PolarHBondContact OG-O 3.01Å; S964-S968 VanDerWaalsContact OG-O 3.09Å; D966-S968 WeakPolarHBondContact OD1-CB 3.43Å; D966-S968 PolarHBondContact OD1-N 2.94Å
969	V	94.3	Very high	84.9	Confident	0 Å²	0	27.9 Å²	27.9	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	115.6	173.5	179.2	0	0	0	0	108.4	E653 F654 A656 V664 M667 I678 I961 A962	E653-V969 WeakPolarHBondContact CA-O 3.32Å; F654-V969 HydrophobicContact CD1-CB 4.32Å; F654-V969 HydrophobicContact CD1-CG1 4.49Å; F654-V969 HydrophobicContact CD2-CB 4.45Å; F654-V969 HydrophobicContact CE1-CB 3.94Å; F654-V969 HydrophobicContact CE1-CG1 3.71Å; F654-V969 HydrophobicContact CE2-CB 4.07Å; F654-V969 HydrophobicContact CE2-CG1 4.37Å; F654-V969 HydrophobicContact CE2-CG2 4.43Å; F654-V969 HydrophobicContact CZ-CB 3.8Å; F654-V969 HydrophobicContact CZ-CG1 3.63Å; F654-V969 HydrophobicContact CZ-CG2 4.45Å; F654-V969 PolarHBondContact N-O 3Å; F654-V969 PolarHBondContact O-N 3.45Å; A656-V969 HydrophobicContact CB-CG2 3.94Å; V664-V969 HydrophobicContact CG2-CG2 3.93Å; M667-V969 HydrophobicContact SD-CG1 4.41Å; I678-V969 HydrophobicContact CD1-CG2 4.17Å; I678-V969 HydrophobicContact CG2-CG2 4.26Å; I961-V969 HydrophobicContact CG2-CG1 3.54Å; A962-V969 CarbonylContact O-C 3.58Å; A962-V969 WeakPolarHBondContact O-CA 3.48Å
970	T	93.8	Very high	83.8	Confident	11 Å²	11	29.3 Å²	29.3	7%	0.067	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	124.2	179.5	-44.2	0	0	0	0	110	I961 A962 I972	I961-T970 WeakPolarHBondContact CA-O 3.1Å; A962-T970 PolarHBondContact N-O 3.06Å; A962-T970 PolarHBondContact O-N 3.41Å; T970-I972 HydrophobicContact CG2-CD1 3.97Å; T970-I972 HydrophobicContact CG2-CG1 3.76Å
971	V	93.7	Very high	83.2	Confident	1 Å²	1	32.3 Å²	32.3	1%	0.006	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	117.4	177.6	-173.8	0	0	0	0	109.4	I649 K650 I651 G652 F654 L690 T959 I961	I649-V971 HydrophobicContact CG2-CG1 3.56Å; K650-V971 WeakPolarHBondContact O-CG1 3.48Å; I651-V971 VanDerWaalsContact CG2-O 3.32Å; I651-V971 WeakPolarHBondContact CG2-O 3.17Å; G652-V971 PolarHBondContact N-O 3.35Å; G652-V971 VanDerWaalsContact N-O 3.1Å; G652-V971 PolarHBondContact O-N 2.56Å; F654-V971 HydrophobicContact CE1-CG2 3.89Å; L690-V971 HydrophobicContact CD2-CG2 4.14Å; T959-V971 HydrophobicContact CG2-CG1 3.7Å; I961-V971 HydrophobicContact CG1-CG1 4.47Å; I961-V971 HydrophobicContact CG1-CG2 4.44Å
972	I	90.2	Very high	82.8	Confident	6 Å²	6	35.3 Å²	35.3	3%	0.031	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	134	-165.5	-61.5	168.6	0	0	0	109.4	Y942 T959 L960 T970	Y942-I972 HydrophobicContact CD1-CD1 4.42Å; Y942-I972 HydrophobicContact CD1-CG2 3.58Å; Y942-I972 HydrophobicContact CD2-CG2 4.03Å; Y942-I972 HydrophobicContact CE1-CG2 3.25Å; Y942-I972 HydrophobicContact CE2-CG2 3.73Å; Y942-I972 HydrophobicContact CG-CD1 4.15Å; Y942-I972 HydrophobicContact CG-CG2 3.94Å; T959-I972 CarbonylContact C-O 3.54Å; T959-I972 WeakPolarHBondContact CA-O 3.3Å; T959-I972 WeakPolarHBondContact CG2-O 3.42Å; L960-I972 PolarHBondContact N-O 3.29Å; L960-I972 PolarHBondContact O-N 2.87Å; T970-I972 HydrophobicContact CG2-CD1 3.97Å; T970-I972 HydrophobicContact CG2-CG1 3.76Å
973	V	88.2	Confident	82.4	Confident	30 Å²	30	35.3 Å²	35.3	18%	0.182	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	126.8	173.5	-176.8	0	0	0	0	111.3	I651 Y942 T959 N975	I651-V973 HydrophobicContact CD1-CB 4.04Å; I651-V973 HydrophobicContact CD1-CG2 3.59Å; I651-V973 HydrophobicContact CG1-CG2 3.81Å; Y942-V973 PolarHBondContact OH-O 2.92Å; Y942-V973 VanDerWaalsContact OH-O 3.1Å; T959-V973 HydrophobicContact CG2-CG2 4.1Å; V973-N975 WeakPolarHBondContact CG1-ND2 3.45Å; V973-N975 PolarHBondContact O-N 2.86Å
974	V	86.6	Confident	81.9	Confident	4 Å²	4	38.6 Å²	38.6	2%	0.024	22%	0.223	C	C	.	.			trans	-90	77.1	-176.8	-171.3	0	0	0	0	110.9	M910 Y913 V925 D958 L960	M910-V974 HydrophobicContact CE-CB 4.23Å; M910-V974 HydrophobicContact CE-CG2 3.81Å; M910-V974 HydrophobicContact SD-CG2 3.9Å; Y913-V974 HydrophobicContact CD1-CG1 4.18Å; Y913-V974 HydrophobicContact CD2-CB 4.19Å; Y913-V974 HydrophobicContact CD2-CG1 3.65Å; Y913-V974 HydrophobicContact CE1-CG1 4Å; Y913-V974 HydrophobicContact CE2-CB 3.91Å; Y913-V974 HydrophobicContact CE2-CG1 3.41Å; Y913-V974 VanDerWaalsContact CE2-CG1 3.41Å; Y913-V974 HydrophobicContact CG-CG1 4.03Å; Y913-V974 PolarHBondContact OH-O 3.34Å; V925-V974 HydrophobicContact CG1-CG1 3.84Å; D958-V974 PolarHBondContact O-N 3.31Å; L960-V974 HydrophobicContact CB-CG2 4.25Å
975	N	76.4	Confident	81.5	Confident	87 Å²	87	39 Å²	39	47%	0.465	23%	0.225	S	C	.	.			trans	-86.2	146.1	-179.4	-73.8	-42.6	0	0	0	113.6	V973 A978	V973-N975 WeakPolarHBondContact CG1-ND2 3.45Å; V973-N975 PolarHBondContact O-N 2.86Å; N975-A978 HydrophobicContact CB-CB 3.87Å; N975-A978 WeakPolarHBondContact O-CB 3.4Å; N975-A978 PolarHBondContact O-N 3.34Å; N975-A978 VanDerWaalsContact O-N 3.11Å
976	E	67.4	Low	80.8	Confident	74 Å²	74	37.4 Å²	37.4	35%	0.346	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-128.7	128.9	-178	-104.9	-168.1	-172.2	0	0	112.5	R912 Y913 K927	R912-E976 IonicContact NH1-OE2 3.32Å; Y913-E976 HydrophobicContact CE1-CG 4.42Å; Y913-E976 WeakPolarHBondContact OH-CG 3.21Å; K927-E976 WeakPolarHBondContact CD-OE1 2.94Å; K927-E976 WeakPolarHBondContact CE-OE1 3.4Å; K927-E976 WeakPolarHBondContact CG-OE1 3.48Å; K927-E976 IonicContact NZ-OE1 3.35Å; K927-E976 PolarHBondContact NZ-OE1 3.16Å; K927-E976 IonicContact NZ-OE2 3.04Å; K927-E976 PolarHBondContact NZ-OE2 3.31Å
977	P	61.1	Low	79.7	Confident	132 Å²	132	45 Å²	45	86%	0.857	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	cis	-69.7	113.5	-33.6	31.2	-28.9	0	0	0	108.5	S979	P977-S979 PolarHBondContact O-N 2.83Å
978	A	49	Very low	78.3	Confident	26 Å²	26	50.8 Å²	50.8	22%	0.215	27%	0.274	C	S	.	.			trans	-59.3	128.5	167.4	0	0	0	0	0	109.3	N975 N980	N975-A978 HydrophobicContact CB-CB 3.87Å; N975-A978 WeakPolarHBondContact O-CB 3.4Å; N975-A978 PolarHBondContact O-N 3.34Å; N975-A978 VanDerWaalsContact O-N 3.11Å; A978-N980 VanDerWaalsContact C-N 3.25Å; A978-N980 HydrophobicContact CB-CB 4.14Å; A978-N980 PolarHBondContact O-N 2.8Å
979	S	52	Low	76.5	Confident	123 Å²	123	60.7 Å²	60.7	86%	0.86	31%	0.313	S	S	*	.	S	Bend	trans	-66.7	89.3	167.1	53.6	0	0	0	0	108.6	P977	P977-S979 PolarHBondContact O-N 2.83Å
980	N	67.4	Low	74.9	Confident	46 Å²	46	64 Å²	64	25%	0.246	35%	0.347	C	S	.	.			trans	-149.7	141.5	-169.1	-93.7	-140	0	0	0	105.3	K940 A978 V982 F997	K940-N980 WeakPolarHBondContact CE-OD1 3.4Å; K940-N980 PolarHBondContact NZ-OD1 3.32Å; A978-N980 VanDerWaalsContact C-N 3.25Å; A978-N980 HydrophobicContact CB-CB 4.14Å; A978-N980 PolarHBondContact O-N 2.8Å; N980-V982 WeakPolarHBondContact O-CG2 3.4Å; N980-V982 PolarHBondContact O-N 3Å; N980-F997 CarbonylContact C-O 3.59Å; N980-F997 WeakPolarHBondContact CB-O 3.43Å
981	Y	82.3	Confident	73.8	Confident	63 Å²	63	68.5 Å²	68.5	25%	0.247	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.6	119.7	-163.1	-54.2	-81.7	0	0	0	113.1	G996 F997 R1000 I1050 P1051 D1052	Y981-G996 CarbonylContact O-C 3.49Å; Y981-F997 PolarHBondContact N-O 3.38Å; Y981-F997 PolarHBondContact O-N 3.47Å; Y981-R1000 HydrophobicContact CD1-CB 4.29Å; Y981-R1000 HydrophobicContact CD2-CB 3.99Å; Y981-R1000 HydrophobicContact CE1-CB 4.22Å; Y981-R1000 HydrophobicContact CE2-CB 3.91Å; Y981-R1000 HydrophobicContact CG-CB 4.17Å; Y981-I1050 HydrophobicContact CD1-CG2 3.54Å; Y981-I1050 HydrophobicContact CE1-CG2 3.87Å; Y981-I1050 HydrophobicContact CG-CG2 4.44Å; Y981-P1051 WeakPolarHBondContact CE1-O 3.49Å; Y981-D1052 PolarHBondContact OH-OXT 3.02Å
982	V	85.5	Confident	73	Confident	63 Å²	63	70.8 Å²	70.8	38%	0.382	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	136.1	-177.4	-177.8	0	0	0	0	110.9	N980 L984	N980-V982 WeakPolarHBondContact O-CG2 3.4Å; N980-V982 PolarHBondContact O-N 3Å; V982-L984 HydrophobicContact CG1-CD2 4.2Å; V982-L984 PolarHBondContact O-N 3.02Å
983	C	86.9	Confident	72.7	Confident	0 Å²	0	70.8 Å²	70.8	0%	0	38%	0.38	C	S	.	.			trans	-71.9	101.1	173.6	-170.2	0	0	0	0	111.3	Y985 C993 G994 I995 F997 L1003 V1007	C983-Y985 VanDerWaalsContact C-N 3.3Å; C983-C993 HydrophobicContact CB-CB 3.73Å; C983-C993 WeakPolarHBondContact O-CB 3.21Å; C983-C993 WeakPolarHBondContact SG-CB 3.42Å; C983-G994 PolarHBondContact O-N 2.64Å; C983-I995 PolarHBondContact N-O 3.12Å; C983-F997 HydrophobicContact CB-CE2 4.24Å; C983-L1003 HydrophobicContact CB-CD1 3.56Å; C983-V1007 VanDerWaalsContact SG-CG2 3.59Å
984	L	85.2	Confident	72.4	Confident	69 Å²	69	71.5 Å²	71.5	36%	0.361	39%	0.393	S	S	.	.			trans	-91.5	15.7	175.2	-58.9	-179.1	0	0	0	113	V982 W1024 S1025	V982-L984 HydrophobicContact CG1-CD2 4.2Å; V982-L984 PolarHBondContact O-N 3.02Å; L984-W1024 HydrophobicContact CB-CD2 4.48Å; L984-W1024 HydrophobicContact CB-CH2 4.39Å; L984-W1024 HydrophobicContact CB-CZ2 3.88Å; L984-W1024 HydrophobicContact CD1-CZ2 4.42Å; L984-W1024 HydrophobicContact CG-CZ2 4.29Å; L984-S1025 WeakPolarHBondContact O-CA 3.41Å; L984-S1025 PolarHBondContact O-N 2.92Å
985	Y	86	Confident	72.3	Confident	11 Å²	11	71.9 Å²	71.9	4%	0.043	40%	0.395	C	S	.	.	B	Isolated β-bridge	trans	-74.5	132.4	173.6	-148.7	-81	0	0	0	109.9	C983 N992 C993 V1007 H1011 M1021 G1023 W1024 L1046	C983-Y985 VanDerWaalsContact C-N 3.3Å; Y985-N992 CarbonylContact O-C 3.48Å; Y985-N992 WeakPolarHBondContact O-CA 3.46Å; Y985-C993 PolarHBondContact O-N 3.37Å; Y985-V1007 HydrophobicContact CD2-CG1 3.58Å; Y985-V1007 HydrophobicContact CE2-CG1 3.85Å; Y985-V1007 HydrophobicContact CG-CG1 4.25Å; Y985-H1011 HydrophobicContact CD1-CB 3.56Å; Y985-H1011 AromaticContact CD1-CG 3.91Å; Y985-H1011 HydrophobicContact CE1-CB 3.76Å; Y985-H1011 HydrophobicContact CG-CB 4.05Å; Y985-H1011 AromaticContact CG-CD2 3.96Å; Y985-M1021 PolarHBondContact OH-O 2.95Å; Y985-G1023 PolarHBondContact OH-N 2.92Å; Y985-G1023 VanDerWaalsContact OH-N 3.11Å; Y985-W1024 HydrophobicContact CD2-CE3 4.12Å; Y985-L1046 HydrophobicContact CE2-CD2 4.27Å
986	G	77.7	Confident	72.8	Confident	5 Å²	5	68.1 Å²	68.1	5%	0.052	38%	0.376	C	S	.	.	B	Isolated β-bridge	trans	-160.4	143.2	-179.2	0	0	0	0	0	111.7	K988 E991 G1023	G986-K988 VanDerWaalsContact C-N 3.29Å; G986-E991 WeakPolarHBondContact CA-O 3.4Å; G986-G1023 PolarHBondContact N-O 3.44Å; G986-G1023 VanDerWaalsContact O-O 3.12Å
987	K	66.9	Low	73.7	Confident	194 Å²	194	64.7 Å²	64.7	84%	0.843	36%	0.361	S	S	*	.	S	Bend	trans	-76.3	-16.5	178.1	-71.3	-172.2	177.4	-177.8	0	112.8
988	K	61.9	Low	74.7	Confident	122 Å²	122	63.1 Å²	63.1	53%	0.53	34%	0.343	S	S	.	.	S	Bend	trans	-146.9	164.1	177	-55.5	-172.4	-150.7	124	0	111.5	G986 G990 E991	G986-K988 VanDerWaalsContact C-N 3.29Å; K988-G990 PolarHBondContact O-N 3.41Å; K988-E991 HydrophobicContact CB-CB 4.22Å; K988-E991 HydrophobicContact CB-CG 4.2Å; K988-E991 WeakPolarHBondContact CD-OE2 3.43Å; K988-E991 WeakPolarHBondContact CE-OE2 3.1Å; K988-E991 WeakPolarHBondContact CG-OE2 3.37Å; K988-E991 VanDerWaalsContact NZ-CD 3.33Å; K988-E991 IonicContact NZ-OE1 3.42Å; K988-E991 PolarHBondContact NZ-OE1 3.38Å; K988-E991 IonicContact NZ-OE2 2.82Å; K988-E991 PolarHBondContact NZ-OE2 2.83Å; K988-E991 PolarHBondContact O-N 2.92Å; K988-E991 VanDerWaalsContact O-N 3.09Å
989	Y	54.5	Low	76.3	Confident	207 Å²	207	63.8 Å²	63.8	81%	0.812	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	125.7	172	-161.6	-93.8	0	0	0	111.5	E991	Y989-E991 VanDerWaalsContact C-N 3.28Å; Y989-E991 PolarHBondContact O-N 3.19Å
990	G	60.3	Low	78	Confident	69 Å²	69	61.9 Å²	61.9	71%	0.711	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.1	-17.5	-175.3	0	0	0	0	0	115.3	K988 N992	K988-G990 PolarHBondContact O-N 3.41Å; G990-N992 VanDerWaalsContact C-N 3.27Å; G990-N992 PolarHBondContact O-N 3.11Å
991	E	69.8	Low	79	Confident	107 Å²	107	68.2 Å²	68.2	50%	0.5	34%	0.337	S	S	.	.			trans	-92.2	39.6	177.5	-64.6	-179.5	177.6	0	0	111.9	G986 K988 Y989	G986-E991 WeakPolarHBondContact CA-O 3.4Å; K988-E991 HydrophobicContact CB-CB 4.22Å; K988-E991 HydrophobicContact CB-CG 4.2Å; K988-E991 WeakPolarHBondContact CD-OE2 3.43Å; K988-E991 WeakPolarHBondContact CE-OE2 3.1Å; K988-E991 WeakPolarHBondContact CG-OE2 3.37Å; K988-E991 VanDerWaalsContact NZ-CD 3.33Å; K988-E991 IonicContact NZ-OE1 3.42Å; K988-E991 PolarHBondContact NZ-OE1 3.38Å; K988-E991 IonicContact NZ-OE2 2.82Å; K988-E991 PolarHBondContact NZ-OE2 2.83Å; K988-E991 PolarHBondContact O-N 2.92Å; K988-E991 VanDerWaalsContact O-N 3.09Å; Y989-E991 VanDerWaalsContact C-N 3.28Å; Y989-E991 PolarHBondContact O-N 3.19Å
992	N	78.2	Confident	79.2	Confident	49 Å²	49	66.1 Å²	66.1	26%	0.262	33%	0.331	S	S	.	.	B	Isolated β-bridge	trans	-76.3	153	178	-69.1	-12.2	0	0	0	111.5	Y985 G990 G994 S1026	Y985-N992 CarbonylContact O-C 3.48Å; Y985-N992 WeakPolarHBondContact O-CA 3.46Å; G990-N992 VanDerWaalsContact C-N 3.27Å; G990-N992 PolarHBondContact O-N 3.11Å; N992-G994 PolarHBondContact O-N 3.37Å; N992-S1026 PolarHBondContact OD1-OG 3.4Å
993	C	82.8	Confident	79.4	Confident	6 Å²	6	63.2 Å²	63.2	4%	0.041	31%	0.313	C	S	.	.			trans	-60.8	-46.3	-177.3	177.5	0	0	0	0	113.7	R937 C983 Y985 I995 H1006 H1011	R937-C993 PolarHBondContact NE-O 3.39Å; R937-C993 VanDerWaalsContact NE-O 3.09Å; R937-C993 PolarHBondContact NH1-O 2.96Å; R937-C993 PolarHBondContact NH2-SG 3.25Å; C983-C993 HydrophobicContact CB-CB 3.73Å; C983-C993 WeakPolarHBondContact O-CB 3.21Å; C983-C993 WeakPolarHBondContact SG-CB 3.42Å; Y985-C993 PolarHBondContact O-N 3.37Å; C993-I995 PolarHBondContact O-N 3.22Å; C993-I995 VanDerWaalsContact O-N 3.17Å; C993-I995 VanDerWaalsContact SG-CG1 3.57Å; C993-H1006 PolarHBondContact SG-NE2 3.05Å; C993-H1011 VanDerWaalsContact CB-NE2 3.32Å; C993-H1011 WeakPolarHBondContact CB-NE2 3.36Å; C993-H1011 PolarHBondContact SG-NE2 2.99Å; C993-H1011 VanDerWaalsContact SG-NE2 3.39Å
994	G	82.7	Confident	79.5	Confident	44 Å²	44	63.8 Å²	63.8	45%	0.454	32%	0.316	S	S	.	.			trans	73.4	-1.3	172.7	0	0	0	0	0	116.1	C983 N992	C983-G994 PolarHBondContact O-N 2.64Å; N992-G994 PolarHBondContact O-N 3.37Å
995	I	85	Confident	79.7	Confident	12 Å²	12	63.6 Å²	63.6	6%	0.062	31%	0.313	C	S	.	.			trans	-74	129.5	176.4	-56.9	176.5	0	0	0	109.6	R937 P938 V941 C983 C993 F997	R937-I995 HydrophobicContact CG-CD1 4.32Å; R937-I995 HydrophobicContact CG-CG1 4.29Å; P938-I995 HydrophobicContact CG-CD1 4.17Å; V941-I995 HydrophobicContact CG2-CG2 3.68Å; C983-I995 PolarHBondContact N-O 3.12Å; C993-I995 PolarHBondContact O-N 3.22Å; C993-I995 VanDerWaalsContact O-N 3.17Å; C993-I995 VanDerWaalsContact SG-CG1 3.57Å; I995-F997 HydrophobicContact CB-CE2 3.86Å; I995-F997 HydrophobicContact CB-CZ 4.17Å; I995-F997 HydrophobicContact CG2-CD2 4.39Å; I995-F997 HydrophobicContact CG2-CE1 4.37Å; I995-F997 HydrophobicContact CG2-CE2 3.55Å; I995-F997 HydrophobicContact CG2-CZ 3.52Å; I995-F997 WeakPolarHBondContact O-CE2 3.3Å
996	G	85.5	Confident	79.8	Confident	8 Å²	8	64 Å²	64	8%	0.082	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	149.4	172.2	0	0	0	0	0	113.9	V939 K940 V941 Y981	V939-G996 PolarHBondContact O-N 3.1Å; K940-G996 CarbonylContact C-O 3.43Å; K940-G996 WeakPolarHBondContact CA-O 3.41Å; K940-G996 WeakPolarHBondContact CG-O 3.36Å; V941-G996 PolarHBondContact N-O 3.4Å; Y981-G996 CarbonylContact O-C 3.49Å
997	F	87	Confident	80.3	Confident	3 Å²	3	63.8 Å²	63.8	1%	0.013	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	149.4	179.3	-64.4	-89.8	0	0	0	110.8	V941 F943 N980 Y981 C983 I995 D1002 L1003 H1006	V941-F997 HydrophobicContact CB-CD1 4.15Å; V941-F997 HydrophobicContact CB-CE1 3.78Å; V941-F997 HydrophobicContact CB-CZ 4.47Å; V941-F997 HydrophobicContact CG1-CE1 4.38Å; V941-F997 HydrophobicContact CG2-CE1 4.23Å; V941-F997 HydrophobicContact CG2-CZ 4.47Å; F943-F997 HydrophobicContact CE2-CD1 4.33Å; F943-F997 HydrophobicContact CE2-CE1 4.29Å; N980-F997 CarbonylContact C-O 3.59Å; N980-F997 WeakPolarHBondContact CB-O 3.43Å; Y981-F997 PolarHBondContact N-O 3.38Å; Y981-F997 PolarHBondContact O-N 3.47Å; C983-F997 HydrophobicContact CB-CE2 4.24Å; I995-F997 HydrophobicContact CB-CE2 3.86Å; I995-F997 HydrophobicContact CB-CZ 4.17Å; I995-F997 HydrophobicContact CG2-CD2 4.39Å; I995-F997 HydrophobicContact CG2-CE1 4.37Å; I995-F997 HydrophobicContact CG2-CE2 3.55Å; I995-F997 HydrophobicContact CG2-CZ 3.52Å; I995-F997 WeakPolarHBondContact O-CE2 3.3Å; F997-D1002 HydrophobicContact CB-CB 4.5Å; F997-D1002 HydrophobicContact CD1-CB 4.05Å; F997-L1003 HydrophobicContact CB-CB 4.01Å; F997-L1003 HydrophobicContact CD2-CB 3.88Å; F997-L1003 HydrophobicContact CD2-CD1 3.98Å; F997-L1003 HydrophobicContact CE2-CD1 4.25Å; F997-L1003 HydrophobicContact CG-CB 4Å; F997-H1006 HydrophobicContact CE1-CB 3.72Å; F997-H1006 HydrophobicContact CE2-CB 4.08Å; F997-H1006 AromaticContact CE2-CD2 3.35Å; F997-H1006 WeakPolarHBondContact CE2-CD2 3.49Å; F997-H1006 AromaticContact CE2-CG 3.78Å; F997-H1006 HydrophobicContact CZ-CB 3.41Å; F997-H1006 VanDerWaalsContact CZ-CB 3.41Å; F997-H1006 AromaticContact CZ-CD2 3.32Å; F997-H1006 WeakPolarHBondContact CZ-CD2 3Å; F997-H1006 AromaticContact CZ-CG 3.23Å; F997-H1006 AromaticContact CZ-ND1 3.92Å
998	M	81.9	Confident	81.3	Confident	99 Å²	99	55.4 Å²	55.4	49%	0.488	28%	0.277	S	S	.	.	S	Bend	trans	-78.9	-32	-179.9	-163.1	170	74.4	0	0	113.1	Y942	Y942-M998 HydrophobicContact CD1-CB 4.02Å; Y942-M998 HydrophobicContact CD1-CG 4.5Å; Y942-M998 HydrophobicContact CD1-SD 3.91Å; Y942-M998 HydrophobicContact CE1-CB 4.43Å; Y942-M998 HydrophobicContact CE1-SD 4.1Å
999	D	83.7	Confident	82.5	Confident	40 Å²	40	53.1 Å²	53.1	21%	0.214	27%	0.271	C	S	.	.	S	Bend	trans	-119.5	142	177.5	-169.1	-36.6	0	0	0	110.3	R1001 D1002 L1003	D999-R1001 PolarHBondContact O-N 2.83Å; D999-R1001 WeakPolarHBondContact OD1-CB 3.35Å; D999-R1001 WeakPolarHBondContact OD1-CG 3.31Å; D999-R1001 PolarHBondContact OD1-N 3.44Å; D999-R1001 IonicContact OD1-NE 3.16Å; D999-R1001 PolarHBondContact OD1-NE 3.45Å; D999-R1001 IonicContact OD2-CZ 2.65Å; D999-R1001 IonicContact OD2-NE 2.62Å; D999-R1001 PolarHBondContact OD2-NE 2.99Å; D999-R1001 IonicContact OD2-NH2 3.71Å; D999-R1001 PolarHBondContact OD2-NH2 3.42Å; D999-D1002 PolarHBondContact O-N 3.36Å; D999-L1003 PolarHBondContact O-N 3.3Å
1000	R	87.5	Confident	83.9	Confident	83 Å²	83	47.4 Å²	47.4	31%	0.313	25%	0.252	S	S	.	.	H	α-helix	trans	-58.5	-31.4	172.6	62.5	-178.1	-179.4	179.9	-7.5	112.7	Y981 L1003 I1004 I1050 D1052	Y981-R1000 HydrophobicContact CD1-CB 4.29Å; Y981-R1000 HydrophobicContact CD2-CB 3.99Å; Y981-R1000 HydrophobicContact CE1-CB 4.22Å; Y981-R1000 HydrophobicContact CE2-CB 3.91Å; Y981-R1000 HydrophobicContact CG-CB 4.17Å; R1000-L1003 WeakPolarHBondContact O-CB 3.28Å; R1000-L1003 PolarHBondContact O-N 3.35Å; R1000-I1004 WeakPolarHBondContact O-CD1 3.5Å; R1000-I1004 VanDerWaalsContact O-CG1 3.24Å; R1000-I1004 WeakPolarHBondContact O-CG1 3.31Å; R1000-I1004 PolarHBondContact O-N 3.29Å; R1000-I1050 HydrophobicContact CB-CG2 4.23Å; R1000-D1052 IonicContact CZ-OD1 3.75Å; R1000-D1052 IonicContact NH1-OD1 2.8Å; R1000-D1052 PolarHBondContact NH1-OD1 3.21Å; R1000-D1052 IonicContact NH2-OD1 2.67Å
1001	R	87.1	Confident	85.1	Confident	178 Å²	178	46 Å²	46	67%	0.672	23%	0.227	S	C	*	.	H	α-helix	trans	-63.4	-41.2	176	-65	-179.7	-68.1	167	2.1	111.7	D999 I1004 H1005	D999-R1001 PolarHBondContact O-N 2.83Å; D999-R1001 WeakPolarHBondContact OD1-CB 3.35Å; D999-R1001 WeakPolarHBondContact OD1-CG 3.31Å; D999-R1001 PolarHBondContact OD1-N 3.44Å; D999-R1001 IonicContact OD1-NE 3.16Å; D999-R1001 PolarHBondContact OD1-NE 3.45Å; D999-R1001 IonicContact OD2-CZ 2.65Å; D999-R1001 IonicContact OD2-NE 2.62Å; D999-R1001 PolarHBondContact OD2-NE 2.99Å; D999-R1001 IonicContact OD2-NH2 3.71Å; D999-R1001 PolarHBondContact OD2-NH2 3.42Å; R1001-I1004 PolarHBondContact O-N 3.23Å; R1001-H1005 VanDerWaalsContact O-CB 3.32Å; R1001-H1005 WeakPolarHBondContact O-CB 3.49Å; R1001-H1005 PolarHBondContact O-N 2.97Å
1002	D	87.7	Confident	85.9	Confident	20 Å²	20	41.5 Å²	41.5	11%	0.107	21%	0.206	C	C	.	.	H	α-helix	trans	-72.8	-36.4	178.2	-69.4	-34	0	0	0	112	F943 R947 F997 D999 H1005 H1006	F943-D1002 HydrophobicContact CD2-CB 3.62Å; F943-D1002 WeakPolarHBondContact CD2-OD1 3.5Å; F943-D1002 WeakPolarHBondContact CD2-OD2 3.28Å; F943-D1002 HydrophobicContact CE2-CB 3.79Å; R947-D1002 IonicContact CZ-OD1 2.68Å; R947-D1002 IonicContact NH2-OD1 2.72Å; R947-D1002 PolarHBondContact NH2-OD1 3.44Å; F997-D1002 HydrophobicContact CB-CB 4.5Å; F997-D1002 HydrophobicContact CD1-CB 4.05Å; D999-D1002 PolarHBondContact O-N 3.36Å; D1002-H1005 PolarHBondContact O-N 3.37Å; D1002-H1006 WeakPolarHBondContact O-CB 3.32Å; D1002-H1006 PolarHBondContact O-N 2.81Å
1003	L	89.2	Confident	86.2	Confident	1 Å²	1	44.2 Å²	44.2	1%	0.005	22%	0.215	C	C	.	.	H	α-helix	trans	-58.4	-47.9	168.4	162.8	62.6	0	0	0	111.4	C983 F997 D999 R1000 H1006 V1007 W1024 I1050	C983-L1003 HydrophobicContact CB-CD1 3.56Å; F997-L1003 HydrophobicContact CB-CB 4.01Å; F997-L1003 HydrophobicContact CD2-CB 3.88Å; F997-L1003 HydrophobicContact CD2-CD1 3.98Å; F997-L1003 HydrophobicContact CE2-CD1 4.25Å; F997-L1003 HydrophobicContact CG-CB 4Å; D999-L1003 PolarHBondContact O-N 3.3Å; R1000-L1003 WeakPolarHBondContact O-CB 3.28Å; R1000-L1003 PolarHBondContact O-N 3.35Å; L1003-H1006 WeakPolarHBondContact O-CB 3.31Å; L1003-H1006 PolarHBondContact O-N 3.22Å; L1003-V1007 HydrophobicContact CD1-CG2 3.96Å; L1003-V1007 WeakPolarHBondContact O-CG2 3.24Å; L1003-V1007 PolarHBondContact O-N 3.24Å; L1003-W1024 HydrophobicContact CD1-CH2 4.4Å; L1003-W1024 HydrophobicContact CD2-CH2 4.07Å; L1003-I1050 HydrophobicContact CD2-CD1 3.67Å; L1003-I1050 HydrophobicContact CD2-CG1 4.06Å; L1003-I1050 HydrophobicContact CD2-CG2 4.48Å; L1003-I1050 HydrophobicContact CG-CD1 4.21Å
1004	I	90	Very high	86.1	Confident	13 Å²	13	45.6 Å²	45.6	7%	0.067	22%	0.22	C	C	.	.	H	α-helix	trans	-64.1	-46.1	179.2	-69.4	158.8	0	0	0	110.5	R1000 R1001 H1006 V1007 L1008 L1046 L1047 I1050	R1000-I1004 WeakPolarHBondContact O-CD1 3.5Å; R1000-I1004 VanDerWaalsContact O-CG1 3.24Å; R1000-I1004 WeakPolarHBondContact O-CG1 3.31Å; R1000-I1004 PolarHBondContact O-N 3.29Å; R1001-I1004 PolarHBondContact O-N 3.23Å; I1004-H1006 VanDerWaalsContact C-N 3.27Å; I1004-H1006 PolarHBondContact O-N 3.15Å; I1004-V1007 PolarHBondContact O-N 3.23Å; I1004-V1007 VanDerWaalsContact O-N 3.11Å; I1004-L1008 HydrophobicContact CG2-CD1 3.86Å; I1004-L1008 HydrophobicContact CG2-CG 4.25Å; I1004-L1008 WeakPolarHBondContact O-CB 3.39Å; I1004-L1008 VanDerWaalsContact O-CG 3.26Å; I1004-L1008 WeakPolarHBondContact O-CG 3.48Å; I1004-L1008 PolarHBondContact O-N 3.48Å; I1004-L1046 HydrophobicContact CG1-CB 4.45Å; I1004-L1046 HydrophobicContact CG2-CD1 4.37Å; I1004-L1047 HydrophobicContact CD1-CD1 4.42Å; I1004-L1047 HydrophobicContact CD1-CD2 3.52Å; I1004-L1047 HydrophobicContact CD1-CG 3.6Å; I1004-I1050 HydrophobicContact CD1-CD1 4.09Å; I1004-I1050 HydrophobicContact CG1-CD1 3.77Å
1005	H	87.8	Confident	85.7	Confident	64 Å²	64	50.7 Å²	50.7	30%	0.296	23%	0.232	S	C	.	.	H	α-helix	trans	-55.1	-42.3	174	-178.9	-109.4	0	0	0	112	R947 R1001 D1002 N1009	R947-H1005 PolarHBondContact NH1-CE1 3.3Å; R947-H1005 VanDerWaalsContact NH1-CE1 3.34Å; R947-H1005 PolarHBondContact NH1-NE2 3.34Å; R1001-H1005 VanDerWaalsContact O-CB 3.32Å; R1001-H1005 WeakPolarHBondContact O-CB 3.49Å; R1001-H1005 PolarHBondContact O-N 2.97Å; D1002-H1005 PolarHBondContact O-N 3.37Å; H1005-N1009 PolarHBondContact CE1-ND2 3.46Å; H1005-N1009 PolarHBondContact NE2-ND2 2.59Å; H1005-N1009 WeakPolarHBondContact O-CB 3.4Å; H1005-N1009 PolarHBondContact O-N 3.22Å; H1005-N1009 VanDerWaalsContact O-N 3.09Å; H1005-N1009 PolarHBondContact O-ND2 3.4Å; H1005-N1009 PolarHBondContact O-OD1 3.45Å
1006	H	87.6	Confident	85	Confident	19 Å²	19	55.4 Å²	55.4	9%	0.088	27%	0.266	C	S	.	.	H	α-helix	trans	-64.5	-45.3	173.1	162.7	63.5	0	0	0	113.2	C993 F997 D1002 L1003 I1004 L1008 N1009 E1010 H1011	C993-H1006 PolarHBondContact SG-NE2 3.05Å; F997-H1006 HydrophobicContact CE1-CB 3.72Å; F997-H1006 HydrophobicContact CE2-CB 4.08Å; F997-H1006 AromaticContact CE2-CD2 3.35Å; F997-H1006 WeakPolarHBondContact CE2-CD2 3.49Å; F997-H1006 AromaticContact CE2-CG 3.78Å; F997-H1006 HydrophobicContact CZ-CB 3.41Å; F997-H1006 VanDerWaalsContact CZ-CB 3.41Å; F997-H1006 AromaticContact CZ-CD2 3.32Å; F997-H1006 WeakPolarHBondContact CZ-CD2 3Å; F997-H1006 AromaticContact CZ-CG 3.23Å; F997-H1006 AromaticContact CZ-ND1 3.92Å; D1002-H1006 WeakPolarHBondContact O-CB 3.32Å; D1002-H1006 PolarHBondContact O-N 2.81Å; L1003-H1006 WeakPolarHBondContact O-CB 3.31Å; L1003-H1006 PolarHBondContact O-N 3.22Å; I1004-H1006 VanDerWaalsContact C-N 3.27Å; I1004-H1006 PolarHBondContact O-N 3.15Å; H1006-L1008 PolarHBondContact O-N 3.09Å; H1006-N1009 PolarHBondContact O-N 3.06Å; H1006-E1010 WeakPolarHBondContact ND1-CG 3.37Å; H1006-E1010 WeakPolarHBondContact O-CB 3.48Å; H1006-E1010 PolarHBondContact O-N 3.36Å; H1006-H1011 AromaticContact CE1-NE2 3.8Å; H1006-H1011 AromaticContact NE2-NE2 3.4Å; H1006-H1011 PolarHBondContact NE2-NE2 2.98Å
1007	V	89.1	Confident	84.4	Confident	2 Å²	2	59.5 Å²	59.5	1%	0.012	29%	0.286	C	S	.	.	H	α-helix	trans	-62.2	-43.7	178.4	171.8	0	0	0	0	111.2	C983 Y985 L1003 I1004 H1011 I1012 W1024 L1046	C983-V1007 VanDerWaalsContact SG-CG2 3.59Å; Y985-V1007 HydrophobicContact CD2-CG1 3.58Å; Y985-V1007 HydrophobicContact CE2-CG1 3.85Å; Y985-V1007 HydrophobicContact CG-CG1 4.25Å; L1003-V1007 HydrophobicContact CD1-CG2 3.96Å; L1003-V1007 WeakPolarHBondContact O-CG2 3.24Å; L1003-V1007 PolarHBondContact O-N 3.24Å; I1004-V1007 PolarHBondContact O-N 3.23Å; I1004-V1007 VanDerWaalsContact O-N 3.11Å; V1007-H1011 HydrophobicContact CG1-CB 4.48Å; V1007-H1011 WeakPolarHBondContact O-CA 3.28Å; V1007-H1011 WeakPolarHBondContact O-CB 3.27Å; V1007-H1011 PolarHBondContact O-N 3.28Å; V1007-I1012 HydrophobicContact CG1-CD1 4.07Å; V1007-I1012 HydrophobicContact CG1-CG1 4.34Å; V1007-I1012 PolarHBondContact O-N 3.3Å; V1007-I1012 VanDerWaalsContact O-N 3.13Å; V1007-W1024 HydrophobicContact CG2-CZ3 4.2Å; V1007-L1046 HydrophobicContact CB-CD1 4.22Å; V1007-L1046 HydrophobicContact CG1-CD1 3.66Å; V1007-L1046 HydrophobicContact CG1-CD2 3.93Å; V1007-L1046 HydrophobicContact CG1-CG 4.47Å
1008	L	88.6	Confident	84.1	Confident	17 Å²	17	67.1 Å²	67.1	9%	0.089	32%	0.319	C	S	.	.	H	α-helix	trans	-58.4	-50.5	176	-68.4	167.8	0	0	0	110.8	I1004 H1006 I1012 M1039 I1042 L1046	I1004-L1008 HydrophobicContact CG2-CD1 3.86Å; I1004-L1008 HydrophobicContact CG2-CG 4.25Å; I1004-L1008 WeakPolarHBondContact O-CB 3.39Å; I1004-L1008 VanDerWaalsContact O-CG 3.26Å; I1004-L1008 WeakPolarHBondContact O-CG 3.48Å; I1004-L1008 PolarHBondContact O-N 3.48Å; H1006-L1008 PolarHBondContact O-N 3.09Å; L1008-I1012 HydrophobicContact CD2-CD1 4.33Å; L1008-M1039 HydrophobicContact CB-CE 3.97Å; L1008-M1039 HydrophobicContact CD1-CE 4.29Å; L1008-M1039 HydrophobicContact CD2-CE 3.82Å; L1008-M1039 HydrophobicContact CD2-SD 4.35Å; L1008-M1039 HydrophobicContact CG-CE 4.24Å; L1008-I1042 HydrophobicContact CD2-CB 4.25Å; L1008-I1042 HydrophobicContact CD2-CG2 3.64Å; L1008-L1046 HydrophobicContact CD2-CD1 4.27Å; L1008-L1046 HydrophobicContact CG-CD1 4.5Å
1009	N	85.5	Confident	84.2	Confident	75 Å²	75	65.7 Å²	65.7	40%	0.401	32%	0.316	S	S	.	.	H	α-helix	trans	-78.4	-37.2	-172.2	-61.9	-5	0	0	0	113.6	H1005 H1006 K1013	H1005-N1009 PolarHBondContact CE1-ND2 3.46Å; H1005-N1009 PolarHBondContact NE2-ND2 2.59Å; H1005-N1009 WeakPolarHBondContact O-CB 3.4Å; H1005-N1009 PolarHBondContact O-N 3.22Å; H1005-N1009 VanDerWaalsContact O-N 3.09Å; H1005-N1009 PolarHBondContact O-ND2 3.4Å; H1005-N1009 PolarHBondContact O-OD1 3.45Å; H1006-N1009 PolarHBondContact O-N 3.06Å; N1009-K1013 WeakPolarHBondContact O-CE 3.43Å
1010	E	85	Confident	84.2	Confident	87 Å²	87	64.9 Å²	64.9	41%	0.407	31%	0.313	S	S	.	.	H	α-helix	trans	-99.6	-19.1	-173	-64.5	-57.4	154.7	0	0	114.5	H1006	H1006-E1010 WeakPolarHBondContact ND1-CG 3.37Å; H1006-E1010 WeakPolarHBondContact O-CB 3.48Å; H1006-E1010 PolarHBondContact O-N 3.36Å
1011	H	86.1	Confident	84.1	Confident	40 Å²	40	65.1 Å²	65.1	19%	0.185	32%	0.319	C	S	.	.	H	α-helix	trans	-125.8	-23.4	-171.5	-58.6	-27.7	0	0	0	114.8	Y985 C993 H1006 V1007	Y985-H1011 HydrophobicContact CD1-CB 3.56Å; Y985-H1011 AromaticContact CD1-CG 3.91Å; Y985-H1011 HydrophobicContact CE1-CB 3.76Å; Y985-H1011 HydrophobicContact CG-CB 4.05Å; Y985-H1011 AromaticContact CG-CD2 3.96Å; C993-H1011 VanDerWaalsContact CB-NE2 3.32Å; C993-H1011 WeakPolarHBondContact CB-NE2 3.36Å; C993-H1011 PolarHBondContact SG-NE2 2.99Å; C993-H1011 VanDerWaalsContact SG-NE2 3.39Å; H1006-H1011 AromaticContact CE1-NE2 3.8Å; H1006-H1011 AromaticContact NE2-NE2 3.4Å; H1006-H1011 PolarHBondContact NE2-NE2 2.98Å; V1007-H1011 HydrophobicContact CG1-CB 4.48Å; V1007-H1011 WeakPolarHBondContact O-CA 3.28Å; V1007-H1011 WeakPolarHBondContact O-CB 3.27Å; V1007-H1011 PolarHBondContact O-N 3.28Å
1012	I	86.6	Confident	84.1	Confident	12 Å²	12	56.6 Å²	56.6	6%	0.062	29%	0.287	C	S	.	.			trans	-105	79.9	178.2	-58	179.3	0	0	0	108.8	V1007 L1008 F1014 F1033 I1042 L1046	V1007-I1012 HydrophobicContact CG1-CD1 4.07Å; V1007-I1012 HydrophobicContact CG1-CG1 4.34Å; V1007-I1012 PolarHBondContact O-N 3.3Å; V1007-I1012 VanDerWaalsContact O-N 3.13Å; L1008-I1012 HydrophobicContact CD2-CD1 4.33Å; I1012-F1014 HydrophobicContact CG2-CE2 3.84Å; I1012-F1014 HydrophobicContact CG2-CZ 4.01Å; I1012-F1033 HydrophobicContact CD1-CD2 3.89Å; I1012-F1033 HydrophobicContact CD1-CE2 3.55Å; I1012-F1033 HydrophobicContact CD1-CZ 4.23Å; I1012-F1033 HydrophobicContact CG1-CD2 4.43Å; I1012-F1033 HydrophobicContact CG1-CE2 4.33Å; I1012-F1033 HydrophobicContact CG2-CD2 4.44Å; I1012-I1042 HydrophobicContact CD1-CG2 3.6Å; I1012-L1046 HydrophobicContact CD1-CD1 3.98Å
1013	K	83.3	Confident	83.9	Confident	105 Å²	105	56.1 Å²	56.1	46%	0.457	29%	0.286	S	S	.	.			trans	-112.1	120	171.8	-57.5	-175.1	-175.7	-178.7	0	107.7	N1009 E1015	N1009-K1013 WeakPolarHBondContact O-CE 3.43Å; K1013-E1015 HydrophobicContact CB-CG 4.11Å
1014	F	80.4	Confident	83.7	Confident	35 Å²	35	56.7 Å²	56.7	15%	0.154	29%	0.288	C	S	.	.			trans	-76.7	-40.9	-177.9	-70.7	-82.7	0	0	0	111.3	I1012 S1016 N1017 V1020 F1033 T1034 E1035 I1042	I1012-F1014 HydrophobicContact CG2-CE2 3.84Å; I1012-F1014 HydrophobicContact CG2-CZ 4.01Å; F1014-S1016 PolarHBondContact O-N 3.42Å; F1014-N1017 CarbonylContact O-C 3.57Å; F1014-N1017 WeakPolarHBondContact O-CA 3.2Å; F1014-N1017 WeakPolarHBondContact O-CB 3.19Å; F1014-N1017 PolarHBondContact O-N 3.06Å; F1014-V1020 HydrophobicContact CD1-CB 4.38Å; F1014-V1020 HydrophobicContact CD1-CG2 3.65Å; F1014-V1020 HydrophobicContact CE1-CB 4.17Å; F1014-V1020 HydrophobicContact CE1-CG2 3.93Å; F1014-V1020 HydrophobicContact CG-CG2 4.23Å; F1014-F1033 HydrophobicContact CE1-CB 4.12Å; F1014-F1033 HydrophobicContact CZ-CB 3.96Å; F1014-T1034 VanDerWaalsContact CE1-C 3.48Å; F1014-E1035 HydrophobicContact CD1-CB 4.24Å; F1014-E1035 HydrophobicContact CG-CB 4.37Å; F1014-I1042 HydrophobicContact CE2-CD1 4.46Å; F1014-I1042 HydrophobicContact CZ-CD1 4.14Å
1015	E	74.5	Confident	83	Confident	151 Å²	151	57 Å²	57	71%	0.706	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.9	-128	177.3	-62.2	168.4	-166.3	0	0	110.7	K1013 N1017	K1013-E1015 HydrophobicContact CB-CG 4.11Å; E1015-N1017 VanDerWaalsContact C-N 3.26Å; E1015-N1017 PolarHBondContact O-N 3.19Å
1016	S	71.7	Confident	82.1	Confident	111 Å²	111	55.4 Å²	55.4	78%	0.776	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78	-5.6	173.8	54.7	0	0	0	0	114.3	F1014	F1014-S1016 PolarHBondContact O-N 3.42Å
1017	N	72.1	Confident	81.2	Confident	94 Å²	94	56.5 Å²	56.5	50%	0.503	30%	0.304	S	S	.	.			trans	-101.7	104.7	-175.5	-62.2	-77	0	0	0	111.1	F1014 E1015 T1019	F1014-N1017 CarbonylContact O-C 3.57Å; F1014-N1017 WeakPolarHBondContact O-CA 3.2Å; F1014-N1017 WeakPolarHBondContact O-CB 3.19Å; F1014-N1017 PolarHBondContact O-N 3.06Å; E1015-N1017 VanDerWaalsContact C-N 3.26Å; E1015-N1017 PolarHBondContact O-N 3.19Å; N1017-T1019 PolarHBondContact O-N 3.33Å
1018	K	79.7	Confident	80.6	Confident	163 Å²	163	66 Å²	66	71%	0.709	34%	0.339	S	S	*	.	S	Bend	trans	-55	-13	174.8	-61.1	-174.1	177.6	-174.5	0	114.8	E1035	K1018-E1035 PolarHBondContact O-N 3.04Å; K1018-E1035 VanDerWaalsContact O-N 3.11Å
1019	T	84.2	Confident	80.3	Confident	69 Å²	69	65.8 Å²	65.8	42%	0.423	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	140.4	178	70.5	0	0	0	0	112.1	N1017 F1033 T1034	N1017-T1019 PolarHBondContact O-N 3.33Å; T1019-F1033 CarbonylContact C-O 3.55Å; T1019-F1033 WeakPolarHBondContact CA-O 3.35Å; T1019-F1033 WeakPolarHBondContact CB-O 3.49Å; T1019-T1034 HydrophobicContact CG2-CG2 4.04Å
1020	V	84.8	Confident	80.2	Confident	23 Å²	23	73.4 Å²	73.4	14%	0.139	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	129.8	175.7	174.2	0	0	0	0	109.3	F1014 F1033	F1014-V1020 HydrophobicContact CD1-CB 4.38Å; F1014-V1020 HydrophobicContact CD1-CG2 3.65Å; F1014-V1020 HydrophobicContact CE1-CB 4.17Å; F1014-V1020 HydrophobicContact CE1-CG2 3.93Å; F1014-V1020 HydrophobicContact CG-CG2 4.23Å; V1020-F1033 PolarHBondContact N-O 3.05Å; V1020-F1033 PolarHBondContact O-N 2.66Å
1021	M	85.6	Confident	80.3	Confident	88 Å²	88	72 Å²	72	43%	0.433	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	139.8	172	-71.4	-63.8	-44.5	0	0	110.6	Y985 G1023 R1032	Y985-M1021 PolarHBondContact OH-O 2.95Å; M1021-G1023 PolarHBondContact O-N 3.1Å; M1021-R1032 HydrophobicContact CE-CG 4.3Å; M1021-R1032 HydrophobicContact SD-CG 3.37Å; M1021-R1032 WeakPolarHBondContact SD-CG 3.49Å; M1021-R1032 PolarHBondContact SD-NE 2.94Å
1022	C	87.6	Confident	80.3	Confident	0 Å²	0	77.8 Å²	77.8	0%	0	38%	0.38	C	S	.	.			trans	-66.9	99.1	170.5	-175.8	0	0	0	0	110.8	W1024 C1029 V1031 F1033	C1022-W1024 PolarHBondContact O-N 3Å; C1022-C1029 HydrophobicContact CB-CB 3.87Å; C1022-V1031 HydrophobicContact CB-CB 4.44Å; C1022-V1031 WeakPolarHBondContact CB-O 3.5Å; C1022-V1031 PolarHBondContact N-O 2.93Å; C1022-F1033 HydrophobicContact CB-CE2 3.86Å; C1022-F1033 HydrophobicContact CB-CZ 3.81Å
1023	G	83.4	Confident	80.4	Confident	9 Å²	9	77.2 Å²	77.2	9%	0.093	38%	0.377	C	S	.	.			trans	-74.7	16.9	-178.8	0	0	0	0	0	115	Y985 G986 M1021	Y985-G1023 PolarHBondContact OH-N 2.92Å; Y985-G1023 VanDerWaalsContact OH-N 3.11Å; G986-G1023 PolarHBondContact N-O 3.44Å; G986-G1023 VanDerWaalsContact O-O 3.12Å; M1021-G1023 PolarHBondContact O-N 3.1Å
1024	W	84.8	Confident	80.6	Confident	14 Å²	14	74.1 Å²	74.1	5%	0.053	37%	0.367	C	S	.	.	B	Isolated β-bridge	trans	-66.5	136.4	-177.5	-164.9	-92.1	0	0	0	112.2	L984 Y985 L1003 V1007 C1022 S1026 G1027 R1028 H1049 I1050	L984-W1024 HydrophobicContact CB-CD2 4.48Å; L984-W1024 HydrophobicContact CB-CH2 4.39Å; L984-W1024 HydrophobicContact CB-CZ2 3.88Å; L984-W1024 HydrophobicContact CD1-CZ2 4.42Å; L984-W1024 HydrophobicContact CG-CZ2 4.29Å; Y985-W1024 HydrophobicContact CD2-CE3 4.12Å; L1003-W1024 HydrophobicContact CD1-CH2 4.4Å; L1003-W1024 HydrophobicContact CD2-CH2 4.07Å; V1007-W1024 HydrophobicContact CG2-CZ3 4.2Å; C1022-W1024 PolarHBondContact O-N 3Å; W1024-S1026 VanDerWaalsContact C-N 3.29Å; W1024-S1026 PolarHBondContact O-N 3.09Å; W1024-G1027 PolarHBondContact O-N 3.04Å; W1024-G1027 VanDerWaalsContact O-N 3.09Å; W1024-R1028 PolarHBondContact O-N 2.95Å; W1024-H1049 HydrophobicContact CB-CB 4.47Å; W1024-H1049 AromaticContact CD1-CG 3.68Å; W1024-H1049 AromaticContact CD1-ND1 3.76Å; W1024-H1049 HydrophobicContact CD2-CB 3.83Å; W1024-H1049 HydrophobicContact CG-CB 3.65Å; W1024-H1049 AromaticContact CG-CG 3.77Å; W1024-H1049 PolarHBondContact NE1-O 3.09Å; W1024-I1050 HydrophobicContact CH2-CD1 4.44Å; W1024-I1050 HydrophobicContact CH2-CG1 3.95Å; W1024-I1050 HydrophobicContact CZ2-CG1 4.09Å
1025	S	75.3	Confident	80.8	Confident	20 Å²	20	78.7 Å²	78.7	14%	0.14	39%	0.389	C	S	.	.	T	Hydrogen-bonded Turn	trans	50.4	49	177.6	-71.9	0	0	0	0	112.7	L984 R1028	L984-S1025 WeakPolarHBondContact O-CA 3.41Å; L984-S1025 PolarHBondContact O-N 2.92Å; S1025-R1028 PolarHBondContact O-NE 3.11Å
1026	S	68.7	Low	81.2	Confident	29 Å²	29	77.8 Å²	77.8	20%	0.203	39%	0.394	C	S	.	.	T	Hydrogen-bonded Turn	trans	65.4	32.5	-178.4	-44.4	0	0	0	0	114.8	N992 W1024	N992-S1026 PolarHBondContact OD1-OG 3.4Å; W1024-S1026 VanDerWaalsContact C-N 3.29Å; W1024-S1026 PolarHBondContact O-N 3.09Å
1027	G	68.4	Low	81.8	Confident	43 Å²	43	75.5 Å²	75.5	44%	0.443	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.3	23.6	176.7	0	0	0	0	0	114.9	W1024 C1029	W1024-G1027 PolarHBondContact O-N 3.04Å; W1024-G1027 VanDerWaalsContact O-N 3.09Å; G1027-C1029 PolarHBondContact O-N 3.16Å
1028	R	75.8	Confident	82.4	Confident	200 Å²	200	75.3 Å²	75.3	76%	0.755	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.8	-21.8	172.5	-81.2	-173.5	-82.2	179.7	-4.5	112.8	W1024 S1025	W1024-R1028 PolarHBondContact O-N 2.95Å; S1025-R1028 PolarHBondContact O-NE 3.11Å
1029	C	83.4	Confident	82.7	Confident	14 Å²	14	72.3 Å²	72.3	10%	0.095	36%	0.363	C	S	.	.			trans	-78.7	133.3	171.3	-168.6	0	0	0	0	111.7	C1022 G1027 V1031 H1045 H1049	C1022-C1029 HydrophobicContact CB-CB 3.87Å; G1027-C1029 PolarHBondContact O-N 3.16Å; C1029-V1031 PolarHBondContact SG-N 3.13Å; C1029-H1045 VanDerWaalsContact SG-CE1 3.57Å; C1029-H1045 PolarHBondContact SG-NE2 3.11Å; C1029-H1049 PolarHBondContact SG-CE1 3.43Å
1030	R	83.4	Confident	82.8	Confident	235 Å²	235	75.9 Å²	75.9	89%	0.887	37%	0.373	S	S	*	.			trans	-93.4	1.1	176.8	-64.4	-173.9	178	-171.3	-0.3	114.3
1031	V	86.3	Confident	83	Confident	56 Å²	56	77 Å²	77	34%	0.339	38%	0.381	S	S	.	.			trans	-71.7	141	-178.6	173.8	0	0	0	0	111.1	C1022 C1029 F1033 H1045	C1022-V1031 HydrophobicContact CB-CB 4.44Å; C1022-V1031 WeakPolarHBondContact CB-O 3.5Å; C1022-V1031 PolarHBondContact N-O 2.93Å; C1029-V1031 PolarHBondContact SG-N 3.13Å; V1031-F1033 HydrophobicContact CG1-CE1 4.33Å; V1031-H1045 VanDerWaalsContact CG2-CE1 3.43Å; V1031-H1045 WeakPolarHBondContact CG2-CE1 3.22Å
1032	R	86.8	Confident	83.2	Confident	162 Å²	162	72.8 Å²	72.8	61%	0.611	36%	0.361	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.8	124.1	171.5	-74	175.4	-178.1	153.5	2	109.5	M1021 Q1037	M1021-R1032 HydrophobicContact CE-CG 4.3Å; M1021-R1032 HydrophobicContact SD-CG 3.37Å; M1021-R1032 WeakPolarHBondContact SD-CG 3.49Å; M1021-R1032 PolarHBondContact SD-NE 2.94Å; R1032-Q1037 PolarHBondContact O-NE2 3.18Å; R1032-Q1037 VanDerWaalsContact O-NE2 3.13Å
1033	F	88.9	Confident	83.3	Confident	0 Å²	0	74 Å²	74	0%	0	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	140.2	162.5	-48.1	-54.6	0	0	0	108.5	I1012 F1014 T1019 V1020 C1022 V1031 I1042 H1045 L1046	I1012-F1033 HydrophobicContact CD1-CD2 3.89Å; I1012-F1033 HydrophobicContact CD1-CE2 3.55Å; I1012-F1033 HydrophobicContact CD1-CZ 4.23Å; I1012-F1033 HydrophobicContact CG1-CD2 4.43Å; I1012-F1033 HydrophobicContact CG1-CE2 4.33Å; I1012-F1033 HydrophobicContact CG2-CD2 4.44Å; F1014-F1033 HydrophobicContact CE1-CB 4.12Å; F1014-F1033 HydrophobicContact CZ-CB 3.96Å; T1019-F1033 CarbonylContact C-O 3.55Å; T1019-F1033 WeakPolarHBondContact CA-O 3.35Å; T1019-F1033 WeakPolarHBondContact CB-O 3.49Å; V1020-F1033 PolarHBondContact N-O 3.05Å; V1020-F1033 PolarHBondContact O-N 2.66Å; C1022-F1033 HydrophobicContact CB-CE2 3.86Å; C1022-F1033 HydrophobicContact CB-CZ 3.81Å; V1031-F1033 HydrophobicContact CG1-CE1 4.33Å; F1033-I1042 HydrophobicContact CB-CD1 4.19Å; F1033-I1042 HydrophobicContact CB-CG1 4.36Å; F1033-I1042 HydrophobicContact CD1-CB 4.27Å; F1033-I1042 HydrophobicContact CD1-CG1 3.83Å; F1033-I1042 HydrophobicContact CD1-CG2 3.94Å; F1033-I1042 HydrophobicContact CD2-CG2 4.4Å; F1033-I1042 HydrophobicContact CE1-CB 4.39Å; F1033-I1042 HydrophobicContact CE1-CG1 4.42Å; F1033-I1042 HydrophobicContact CE1-CG2 3.84Å; F1033-I1042 HydrophobicContact CE2-CG2 4.31Å; F1033-I1042 HydrophobicContact CG-CD1 4.39Å; F1033-I1042 HydrophobicContact CG-CG1 4.21Å; F1033-I1042 HydrophobicContact CG-CG2 4.21Å; F1033-I1042 HydrophobicContact CZ-CG2 4.02Å; F1033-H1045 HydrophobicContact CE1-CB 4.27Å; F1033-H1045 AromaticContact CE1-CD2 3.52Å; F1033-H1045 AromaticContact CZ-CD2 3.65Å; F1033-L1046 HydrophobicContact CZ-CD2 4.24Å; F1033-L1046 HydrophobicContact CZ-CG 4.43Å
1034	T	86.4	Confident	83.7	Confident	40 Å²	40	77.4 Å²	77.4	25%	0.245	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	151.8	169	58.7	0	0	0	0	108.3	F1014 T1019 T1036 Q1037	F1014-T1034 VanDerWaalsContact CE1-C 3.48Å; T1019-T1034 HydrophobicContact CG2-CG2 4.04Å; T1034-T1036 PolarHBondContact O-N 3.26Å; T1034-T1036 PolarHBondContact OG1-OG1 3.12Å; T1034-Q1037 VanDerWaalsContact N-NE2 3.17Å; T1034-Q1037 WeakPolarHBondContact O-CB 3.41Å; T1034-Q1037 PolarHBondContact O-N 3.26Å; T1034-Q1037 WeakPolarHBondContact OG1-CG 3.38Å; T1034-Q1037 PolarHBondContact OG1-NE2 3.33Å
1035	E	85.2	Confident	84	Confident	131 Å²	131	78.4 Å²	78.4	61%	0.612	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.5	-25.9	175.3	-174.2	178.9	-162.8	0	0	112.6	F1014 K1018	F1014-E1035 HydrophobicContact CD1-CB 4.24Å; F1014-E1035 HydrophobicContact CG-CB 4.37Å; K1018-E1035 PolarHBondContact O-N 3.04Å; K1018-E1035 VanDerWaalsContact O-N 3.11Å
1036	T	82.9	Confident	84.6	Confident	132 Å²	132	77.5 Å²	77.5	81%	0.81	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.6	-8.4	175.8	52.6	0	0	0	0	115.4	T1034	T1034-T1036 PolarHBondContact O-N 3.26Å; T1034-T1036 PolarHBondContact OG1-OG1 3.12Å
1037	Q	83.9	Confident	85.6	Confident	64 Å²	64	78.8 Å²	78.8	30%	0.299	39%	0.388	S	S	.	.	S	Bend	trans	-78.5	138.7	176.4	-80.1	166.2	38.8	0	0	110.7	R1032 T1034 I1042	R1032-Q1037 PolarHBondContact O-NE2 3.18Å; R1032-Q1037 VanDerWaalsContact O-NE2 3.13Å; T1034-Q1037 VanDerWaalsContact N-NE2 3.17Å; T1034-Q1037 WeakPolarHBondContact O-CB 3.41Å; T1034-Q1037 PolarHBondContact O-N 3.26Å; T1034-Q1037 WeakPolarHBondContact OG1-CG 3.38Å; T1034-Q1037 PolarHBondContact OG1-NE2 3.33Å; Q1037-I1042 HydrophobicContact CB-CD1 4.29Å; Q1037-I1042 HydrophobicContact CB-CG1 4.1Å
1038	T	85.7	Confident	86.5	Confident	89 Å²	89	81.6 Å²	81.6	55%	0.546	40%	0.397	S	S	.	.			trans	-64.3	144.2	174.5	71.8	0	0	0	0	110.5	K1040 S1041 I1042	T1038-K1040 PolarHBondContact O-N 3.45Å; T1038-K1040 VanDerWaalsContact O-N 3.1Å; T1038-S1041 PolarHBondContact N-OG 2.89Å; T1038-S1041 VanDerWaalsContact N-OG 3.09Å; T1038-S1041 PolarHBondContact O-N 3.05Å; T1038-S1041 PolarHBondContact O-OG 3.22Å; T1038-S1041 PolarHBondContact OG1-N 3.31Å; T1038-S1041 PolarHBondContact OG1-OG 3.32Å; T1038-I1042 PolarHBondContact O-N 3.1Å; T1038-I1042 VanDerWaalsContact O-N 3.08Å
1039	M	84.5	Confident	87	Confident	100 Å²	100	74.4 Å²	74.4	49%	0.493	37%	0.372	S	S	.	.	H	α-helix	trans	-55.4	-29.6	173.6	-64.9	-64.2	-85.7	0	0	112	L1008 I1042 S1043	L1008-M1039 HydrophobicContact CB-CE 3.97Å; L1008-M1039 HydrophobicContact CD1-CE 4.29Å; L1008-M1039 HydrophobicContact CD2-CE 3.82Å; L1008-M1039 HydrophobicContact CD2-SD 4.35Å; L1008-M1039 HydrophobicContact CG-CE 4.24Å; M1039-I1042 HydrophobicContact SD-CD1 4.42Å; M1039-S1043 WeakPolarHBondContact O-CB 3.38Å; M1039-S1043 PolarHBondContact O-N 2.95Å; M1039-S1043 PolarHBondContact O-OG 3.46Å
1040	K	87.4	Confident	87	Confident	145 Å²	145	74.4 Å²	74.4	63%	0.63	37%	0.37	S	S	*	.	H	α-helix	trans	-63.1	-54.1	171	-173.5	-177	172.5	-174.2	0	111.8	T1038 I1042 S1043 D1044	T1038-K1040 PolarHBondContact O-N 3.45Å; T1038-K1040 VanDerWaalsContact O-N 3.1Å; K1040-I1042 PolarHBondContact O-N 3.16Å; K1040-S1043 CarbonylContact O-C 3.55Å; K1040-S1043 WeakPolarHBondContact O-CA 3.43Å; K1040-S1043 WeakPolarHBondContact O-CB 3.43Å; K1040-S1043 PolarHBondContact O-N 2.89Å; K1040-D1044 WeakPolarHBondContact CE-OD2 3.45Å; K1040-D1044 WeakPolarHBondContact CG-OD2 3.43Å; K1040-D1044 VanDerWaalsContact O-CG 3.24Å; K1040-D1044 PolarHBondContact O-N 3.27Å
1041	S	89.3	Confident	86.5	Confident	46 Å²	46	68.3 Å²	68.3	32%	0.322	36%	0.361	S	S	.	.	H	α-helix	trans	-59.2	-31.6	177.7	42.2	0	0	0	0	113.6	T1038 H1045	T1038-S1041 PolarHBondContact N-OG 2.89Å; T1038-S1041 VanDerWaalsContact N-OG 3.09Å; T1038-S1041 PolarHBondContact O-N 3.05Å; T1038-S1041 PolarHBondContact O-OG 3.22Å; T1038-S1041 PolarHBondContact OG1-N 3.31Å; T1038-S1041 PolarHBondContact OG1-OG 3.32Å; S1041-H1045 PolarHBondContact O-N 3.01Å; S1041-H1045 VanDerWaalsContact O-N 3.13Å
1042	I	90.1	Very high	85.3	Confident	0 Å²	0	73.5 Å²	73.5	0%	0	39%	0.387	C	S	.	.	H	α-helix	trans	-68.8	-44	172.2	-61.6	174.9	0	0	0	110.3	L1008 I1012 F1014 F1033 Q1037 T1038 M1039 K1040 H1045 L1046	L1008-I1042 HydrophobicContact CD2-CB 4.25Å; L1008-I1042 HydrophobicContact CD2-CG2 3.64Å; I1012-I1042 HydrophobicContact CD1-CG2 3.6Å; F1014-I1042 HydrophobicContact CE2-CD1 4.46Å; F1014-I1042 HydrophobicContact CZ-CD1 4.14Å; F1033-I1042 HydrophobicContact CB-CD1 4.19Å; F1033-I1042 HydrophobicContact CB-CG1 4.36Å; F1033-I1042 HydrophobicContact CD1-CB 4.27Å; F1033-I1042 HydrophobicContact CD1-CG1 3.83Å; F1033-I1042 HydrophobicContact CD1-CG2 3.94Å; F1033-I1042 HydrophobicContact CD2-CG2 4.4Å; F1033-I1042 HydrophobicContact CE1-CB 4.39Å; F1033-I1042 HydrophobicContact CE1-CG1 4.42Å; F1033-I1042 HydrophobicContact CE1-CG2 3.84Å; F1033-I1042 HydrophobicContact CE2-CG2 4.31Å; F1033-I1042 HydrophobicContact CG-CD1 4.39Å; F1033-I1042 HydrophobicContact CG-CG1 4.21Å; F1033-I1042 HydrophobicContact CG-CG2 4.21Å; F1033-I1042 HydrophobicContact CZ-CG2 4.02Å; Q1037-I1042 HydrophobicContact CB-CD1 4.29Å; Q1037-I1042 HydrophobicContact CB-CG1 4.1Å; T1038-I1042 PolarHBondContact O-N 3.1Å; T1038-I1042 VanDerWaalsContact O-N 3.08Å; M1039-I1042 HydrophobicContact SD-CD1 4.42Å; K1040-I1042 PolarHBondContact O-N 3.16Å; I1042-H1045 PolarHBondContact O-N 3.41Å; I1042-L1046 HydrophobicContact CG2-CD1 4.13Å; I1042-L1046 VanDerWaalsContact O-CG 3.31Å; I1042-L1046 WeakPolarHBondContact O-CG 3.5Å; I1042-L1046 PolarHBondContact O-N 3.03Å
1043	S	89.6	Confident	85.3	Confident	24 Å²	24	69.1 Å²	69.1	17%	0.168	38%	0.376	C	S	.	.	H	α-helix	trans	-62.6	-45.8	175.9	-56.3	0	0	0	0	112.7	M1039 K1040 H1045 L1046 L1047	M1039-S1043 WeakPolarHBondContact O-CB 3.38Å; M1039-S1043 PolarHBondContact O-N 2.95Å; M1039-S1043 PolarHBondContact O-OG 3.46Å; K1040-S1043 CarbonylContact O-C 3.55Å; K1040-S1043 WeakPolarHBondContact O-CA 3.43Å; K1040-S1043 WeakPolarHBondContact O-CB 3.43Å; K1040-S1043 PolarHBondContact O-N 2.89Å; S1043-H1045 VanDerWaalsContact C-N 3.27Å; S1043-H1045 PolarHBondContact O-N 2.7Å; S1043-L1046 PolarHBondContact O-N 3.46Å; S1043-L1046 VanDerWaalsContact O-N 3.12Å; S1043-L1047 PolarHBondContact O-N 3.29Å
1044	D	90.1	Very high	85.1	Confident	81 Å²	81	72.7 Å²	72.7	43%	0.433	40%	0.396	S	S	.	.	H	α-helix	trans	-61.1	-37.6	178.1	-64.8	-18.8	0	0	0	110.4	K1040	K1040-D1044 WeakPolarHBondContact CE-OD2 3.45Å; K1040-D1044 WeakPolarHBondContact CG-OD2 3.43Å; K1040-D1044 VanDerWaalsContact O-CG 3.24Å; K1040-D1044 PolarHBondContact O-N 3.27Å
1045	H	90.9	Very high	85	Confident	35 Å²	35	74.6 Å²	74.6	16%	0.162	40%	0.404	C	S	.	.	H	α-helix	trans	-69.4	-43.5	170.6	177.9	69.5	0	0	0	113.1	C1029 V1031 F1033 S1041 I1042 S1043 L1047 T1048 H1049	C1029-H1045 VanDerWaalsContact SG-CE1 3.57Å; C1029-H1045 PolarHBondContact SG-NE2 3.11Å; V1031-H1045 VanDerWaalsContact CG2-CE1 3.43Å; V1031-H1045 WeakPolarHBondContact CG2-CE1 3.22Å; F1033-H1045 HydrophobicContact CE1-CB 4.27Å; F1033-H1045 AromaticContact CE1-CD2 3.52Å; F1033-H1045 AromaticContact CZ-CD2 3.65Å; S1041-H1045 PolarHBondContact O-N 3.01Å; S1041-H1045 VanDerWaalsContact O-N 3.13Å; I1042-H1045 PolarHBondContact O-N 3.41Å; S1043-H1045 VanDerWaalsContact C-N 3.27Å; S1043-H1045 PolarHBondContact O-N 2.7Å; H1045-L1047 VanDerWaalsContact C-N 3.26Å; H1045-L1047 PolarHBondContact O-N 3.26Å; H1045-T1048 WeakPolarHBondContact O-CB 3.43Å; H1045-T1048 PolarHBondContact O-N 3.22Å; H1045-T1048 PolarHBondContact O-OG1 2.9Å; H1045-H1049 AromaticContact CD2-NE2 3.82Å; H1045-H1049 AromaticContact CE1-NE2 3.29Å; H1045-H1049 PolarHBondContact CE1-NE2 3.47Å; H1045-H1049 VanDerWaalsContact CE1-NE2 3.29Å; H1045-H1049 AromaticContact NE2-CD2 3.77Å; H1045-H1049 AromaticContact NE2-CE1 3.99Å; H1045-H1049 AromaticContact NE2-NE2 2.94Å; H1045-H1049 PolarHBondContact NE2-NE2 3.41Å; H1045-H1049 PolarHBondContact O-CD2 2.87Å
1046	L	89.7	Confident	85	Confident	1 Å²	1	71.2 Å²	71.2	1%	0.005	39%	0.392	C	S	.	.	H	α-helix	trans	-61.6	-35.4	178.8	-73.3	170.6	0	0	0	112.1	Y985 I1004 V1007 L1008 I1012 F1033 I1042 S1043 T1048 H1049	Y985-L1046 HydrophobicContact CE2-CD2 4.27Å; I1004-L1046 HydrophobicContact CG1-CB 4.45Å; I1004-L1046 HydrophobicContact CG2-CD1 4.37Å; V1007-L1046 HydrophobicContact CB-CD1 4.22Å; V1007-L1046 HydrophobicContact CG1-CD1 3.66Å; V1007-L1046 HydrophobicContact CG1-CD2 3.93Å; V1007-L1046 HydrophobicContact CG1-CG 4.47Å; L1008-L1046 HydrophobicContact CD2-CD1 4.27Å; L1008-L1046 HydrophobicContact CG-CD1 4.5Å; I1012-L1046 HydrophobicContact CD1-CD1 3.98Å; F1033-L1046 HydrophobicContact CZ-CD2 4.24Å; F1033-L1046 HydrophobicContact CZ-CG 4.43Å; I1042-L1046 HydrophobicContact CG2-CD1 4.13Å; I1042-L1046 VanDerWaalsContact O-CG 3.31Å; I1042-L1046 WeakPolarHBondContact O-CG 3.5Å; I1042-L1046 PolarHBondContact O-N 3.03Å; S1043-L1046 PolarHBondContact O-N 3.46Å; S1043-L1046 VanDerWaalsContact O-N 3.12Å; L1046-T1048 PolarHBondContact O-N 3.4Å; L1046-H1049 PolarHBondContact O-N 3.03Å; L1046-H1049 VanDerWaalsContact O-N 3.15Å
1047	L	88.6	Confident	85.1	Confident	57 Å²	57	67.4 Å²	67.4	30%	0.298	37%	0.366	S	S	.	.	H	α-helix	trans	-56.2	-34	171.5	-79.4	164.8	0	0	0	112.6	I1004 S1043 H1045 H1049 I1050	I1004-L1047 HydrophobicContact CD1-CD1 4.42Å; I1004-L1047 HydrophobicContact CD1-CD2 3.52Å; I1004-L1047 HydrophobicContact CD1-CG 3.6Å; S1043-L1047 PolarHBondContact O-N 3.29Å; H1045-L1047 VanDerWaalsContact C-N 3.26Å; H1045-L1047 PolarHBondContact O-N 3.26Å; L1047-H1049 PolarHBondContact O-N 3.44Å; L1047-I1050 PolarHBondContact O-N 3.41Å; L1047-I1050 VanDerWaalsContact O-N 3.08Å
1048	T	87.4	Confident	85.2	Confident	101 Å²	101	67.7 Å²	67.7	62%	0.62	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-12.5	179.2	70.5	0	0	0	0	114.6	H1045 L1046	H1045-T1048 WeakPolarHBondContact O-CB 3.43Å; H1045-T1048 PolarHBondContact O-N 3.22Å; H1045-T1048 PolarHBondContact O-OG1 2.9Å; L1046-T1048 PolarHBondContact O-N 3.4Å
1049	H	85.6	Confident	85.2	Confident	50 Å²	50	66.1 Å²	66.1	23%	0.231	36%	0.358	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.8	-5.3	176.6	-57.8	-82	0	0	0	114.4	W1024 C1029 H1045 L1046 L1047	W1024-H1049 HydrophobicContact CB-CB 4.47Å; W1024-H1049 AromaticContact CD1-CG 3.68Å; W1024-H1049 AromaticContact CD1-ND1 3.76Å; W1024-H1049 HydrophobicContact CD2-CB 3.83Å; W1024-H1049 HydrophobicContact CG-CB 3.65Å; W1024-H1049 AromaticContact CG-CG 3.77Å; W1024-H1049 PolarHBondContact NE1-O 3.09Å; C1029-H1049 PolarHBondContact SG-CE1 3.43Å; H1045-H1049 AromaticContact CD2-NE2 3.82Å; H1045-H1049 AromaticContact CE1-NE2 3.29Å; H1045-H1049 PolarHBondContact CE1-NE2 3.47Å; H1045-H1049 VanDerWaalsContact CE1-NE2 3.29Å; H1045-H1049 AromaticContact NE2-CD2 3.77Å; H1045-H1049 AromaticContact NE2-CE1 3.99Å; H1045-H1049 AromaticContact NE2-NE2 2.94Å; H1045-H1049 PolarHBondContact NE2-NE2 3.41Å; H1045-H1049 PolarHBondContact O-CD2 2.87Å; L1046-H1049 PolarHBondContact O-N 3.03Å; L1046-H1049 VanDerWaalsContact O-N 3.15Å; L1047-H1049 PolarHBondContact O-N 3.44Å
1050	I	84.3	Confident	85.2	Confident	13 Å²	13	63.5 Å²	63.5	7%	0.067	35%	0.348	C	S	.	.	S	Bend	trans	-107.5	110.6	-176.9	-60	166.2	0	0	0	106.3	Y981 R1000 L1003 I1004 W1024 L1047	Y981-I1050 HydrophobicContact CD1-CG2 3.54Å; Y981-I1050 HydrophobicContact CE1-CG2 3.87Å; Y981-I1050 HydrophobicContact CG-CG2 4.44Å; R1000-I1050 HydrophobicContact CB-CG2 4.23Å; L1003-I1050 HydrophobicContact CD2-CD1 3.67Å; L1003-I1050 HydrophobicContact CD2-CG1 4.06Å; L1003-I1050 HydrophobicContact CD2-CG2 4.48Å; L1003-I1050 HydrophobicContact CG-CD1 4.21Å; I1004-I1050 HydrophobicContact CD1-CD1 4.09Å; I1004-I1050 HydrophobicContact CG1-CD1 3.77Å; W1024-I1050 HydrophobicContact CH2-CD1 4.44Å; W1024-I1050 HydrophobicContact CH2-CG1 3.95Å; W1024-I1050 HydrophobicContact CZ2-CG1 4.09Å; L1047-I1050 PolarHBondContact O-N 3.41Å; L1047-I1050 VanDerWaalsContact O-N 3.08Å
1051	P	72.8	Confident	85	Confident	107 Å²	107	56.8 Å²	56.8	70%	0.695	32%	0.324	S	S	*	.			trans	-61.3	145	173.6	28.3	-34.2	0	0	0	109.5	Y981	Y981-P1051 WeakPolarHBondContact CE1-O 3.49Å
1052	D	61.9	Low	84.6	Confident	166 Å²	166	57.7 Å²	57.7	89%	0.888	32%	0.324	S	S	*	.			trans	-57.4	0	177.3	-76.7	-70	0	0	0	112.2	Y981 R1000	Y981-D1052 PolarHBondContact OH-OXT 3.02Å; R1000-D1052 IonicContact CZ-OD1 3.75Å; R1000-D1052 IonicContact NH1-OD1 2.8Å; R1000-D1052 PolarHBondContact NH1-OD1 3.21Å; R1000-D1052 IonicContact NH2-OD1 2.67Å

Retrieved 1,052 of 1,052 residues in 628.3 ms (Link to these results)

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