A0A077YZ00_TRITR Loading...

Tyrosine-protein kinase-like otk

Acts as a calcium-dependent, homophilic cell adhesion molecule that regulates neural recognition during the development of the nervous system. Component of the repulsive Plexin signaling response to regulate motor axon guidance at the embryonic stage. Also component of a receptor complex that is required in the adult visual system to innervate the lamina layer; specific targeting of R1-R6 axons.

AlphaFold DB , UniProt , Accession A0A077YZ00, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 796 aa.

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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	83.3	Confident	87.5	Confident	127 Å²	127	78.3 Å²	78.3	63%	0.626	38%	0.384	S	S	*	.				0	131.8	0	-178.8	178.3	-66.7	0	0	107.9	F77 Y112	M1-F77 CarbonylContact C-O 3.49Å; M1-F77 WeakPolarHBondContact CA-O 3.34Å; M1-F77 HydrophobicContact CB-CB 4.38Å; M1-F77 HydrophobicContact CE-CB 4.32Å; M1-F77 HydrophobicContact CE-CD1 3.61Å; M1-F77 HydrophobicContact CE-CE1 4.19Å; M1-F77 HydrophobicContact CE-CG 4.12Å; M1-F77 HydrophobicContact CG-CB 4.23Å; M1-F77 HydrophobicContact CG-CD1 3.97Å; M1-F77 HydrophobicContact SD-CD1 4.14Å; M1-Y112 HydrophobicContact CG-CE1 4.34Å; M1-Y112 HydrophobicContact SD-CD1 3.89Å; M1-Y112 HydrophobicContact SD-CE1 3.48Å; M1-Y112 WeakPolarHBondContact SD-CE1 3.4Å
2	Y	88.4	Confident	88.2	Confident	102 Å²	102	73 Å²	73	40%	0.4	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	137.3	178.5	-67.4	-89.6	0	0	0	109.3	F10 V12 I76 F77 H79	Y2-F10 AromaticContact CD1-CE2 3.59Å; Y2-F10 HydrophobicContact CD1-CE2 3.59Å; Y2-F10 AromaticContact CD1-CZ 3.84Å; Y2-F10 HydrophobicContact CD1-CZ 3.84Å; Y2-F10 AromaticContact CD2-CZ 4Å; Y2-F10 HydrophobicContact CD2-CZ 4Å; Y2-F10 HydrophobicContact CE1-CE2 4.4Å; Y2-F10 AromaticContact CG-CE2 3.67Å; Y2-F10 HydrophobicContact CG-CE2 3.67Å; Y2-F10 AromaticContact CG-CZ 3.54Å; Y2-F10 HydrophobicContact CG-CZ 3.54Å; Y2-V12 HydrophobicContact CE1-CG2 4.29Å; Y2-V12 HydrophobicContact CE2-CG2 4.17Å; Y2-I76 HydrophobicContact CD2-CB 4.1Å; Y2-I76 HydrophobicContact CD2-CD1 4.19Å; Y2-I76 HydrophobicContact CD2-CG2 4.43Å; Y2-I76 HydrophobicContact CE2-CB 4.06Å; Y2-I76 HydrophobicContact CE2-CD1 4.34Å; Y2-I76 HydrophobicContact CE2-CG2 3.87Å; Y2-F77 PolarHBondContact N-O 2.05Å; Y2-H79 PolarHBondContact O-N 3.15Å
3	V	82.1	Confident	88.5	Confident	49 Å²	49	72.2 Å²	72.2	30%	0.297	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	131.8	176.5	-162.1	0	0	0	0	109.1	H79 Y112 E166	V3-H79 CarbonylContact C-O 3.39Å; V3-H79 WeakPolarHBondContact CA-O 3.47Å; V3-H79 HydrophobicContact CG1-CB 4.37Å; V3-H79 HydrophobicContact CG2-CB 4.47Å; V3-Y112 HydrophobicContact CG2-CD1 3.74Å; V3-Y112 HydrophobicContact CG2-CE1 3.27Å; V3-E166 WeakPolarHBondContact CG1-OE1 3.44Å
4	I	84.6	Confident	88.8	Confident	10 Å²	10	68.4 Å²	68.4	5%	0.051	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	126.9	-175.3	-46.3	158.9	0	0	0	107.6	K8 F10 I50 A53 V78 H79 V80 S81	I4-K8 HydrophobicContact CG2-CB 4.23Å; I4-F10 HydrophobicContact CB-CB 4.42Å; I4-F10 HydrophobicContact CD1-CB 3.27Å; I4-F10 HydrophobicContact CD1-CD1 3.55Å; I4-F10 HydrophobicContact CD1-CD2 3.76Å; I4-F10 HydrophobicContact CD1-CE1 4.27Å; I4-F10 HydrophobicContact CD1-CE2 4.47Å; I4-F10 HydrophobicContact CD1-CG 3.23Å; I4-F10 HydrophobicContact CG1-CB 3.64Å; I4-F10 HydrophobicContact CG1-CD1 4.36Å; I4-F10 HydrophobicContact CG1-CD2 3.63Å; I4-F10 HydrophobicContact CG1-CE2 4.36Å; I4-F10 HydrophobicContact CG1-CG 3.62Å; I4-F10 HydrophobicContact CG2-CB 3.89Å; I4-I50 HydrophobicContact CD1-CD1 4.35Å; I4-A53 HydrophobicContact CB-CB 4.32Å; I4-A53 HydrophobicContact CG2-CB 3.73Å; I4-V78 HydrophobicContact CD1-CG1 3.34Å; I4-V78 HydrophobicContact CG1-CG1 4.34Å; I4-H79 PolarHBondContact N-O 2.7Å; I4-V80 CarbonylContact O-C 3.52Å; I4-V80 VanDerWaalsContact O-CA 3.27Å; I4-V80 WeakPolarHBondContact O-CA 3.11Å; I4-S81 PolarHBondContact O-N 2.92Å; I4-S81 PolarHBondContact O-OG 3.33Å
5	S	81.9	Confident	88.9	Confident	43 Å²	43	74.1 Å²	74.1	30%	0.301	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	138.6	173	-29.5	0	0	0	0	110.3	G7 K8 S81 E166	S5-G7 PolarHBondContact O-N 3.02Å; S5-K8 VanDerWaalsContact O-CB 3.28Å; S5-K8 WeakPolarHBondContact O-CB 3.4Å; S5-K8 PolarHBondContact O-N 3.07Å; S5-S81 CarbonylContact C-O 3.51Å; S5-S81 WeakPolarHBondContact CA-OG 3.35Å; S5-E166 PolarHBondContact OG-OE2 3.35Å
6	Q	85	Confident	88.3	Confident	110 Å²	110	72.2 Å²	72.2	51%	0.514	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.8	133.3	178.3	-170.1	176.7	8.7	0	0	111.2	K8 A53 V80 S81	Q6-K8 VanDerWaalsContact C-N 3.29Å; Q6-K8 PolarHBondContact O-N 3.15Å; Q6-A53 WeakPolarHBondContact CG-O 3.44Å; Q6-V80 HydrophobicContact CB-CG1 4.01Å; Q6-V80 HydrophobicContact CG-CG1 4.42Å; Q6-S81 WeakPolarHBondContact CB-O 3.37Å; Q6-S81 PolarHBondContact N-O 2.81Å
7	G	87.7	Confident	88	Confident	41 Å²	41	72.1 Å²	72.1	42%	0.423	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.3	-5.3	-178	0	0	0	0	0	115.2	S5 A53	S5-G7 PolarHBondContact O-N 3.02Å; G7-A53 PolarHBondContact N-O 2.96Å
8	K	88.9	Confident	88.1	Confident	131 Å²	131	76.2 Å²	76.2	57%	0.57	41%	0.41	S	S	*	.			trans	-84.6	158.9	173.3	-61.9	-65.4	-175.1	177.2	0	111.7	I4 S5 Q6 S52 A53	I4-K8 HydrophobicContact CG2-CB 4.23Å; S5-K8 VanDerWaalsContact O-CB 3.28Å; S5-K8 WeakPolarHBondContact O-CB 3.4Å; S5-K8 PolarHBondContact O-N 3.07Å; Q6-K8 VanDerWaalsContact C-N 3.29Å; Q6-K8 PolarHBondContact O-N 3.15Å; K8-S52 PolarHBondContact O-N 2.99Å; K8-A53 WeakPolarHBondContact O-CB 3.41Å; K8-A53 PolarHBondContact O-N 2.79Å
9	R	93	Very high	88.1	Confident	125 Å²	125	73.7 Å²	73.7	47%	0.472	40%	0.404	S	S	.	.			trans	-84.1	139.8	171.2	176.8	-180	172.3	120.4	-11.3	109.6	E11 I50 D51	R9-E11 IonicContact CZ-OE2 3.68Å; R9-E11 IonicContact NE-OE2 3.94Å; R9-E11 PolarHBondContact NE-OE2 3.48Å; R9-E11 IonicContact NH2-OE2 3.57Å; R9-E11 PolarHBondContact NH2-OE2 2.96Å; R9-I50 CarbonylContact C-O 3.55Å; R9-I50 WeakPolarHBondContact CA-O 3.35Å; R9-D51 VanDerWaalsContact CD-OD1 3.27Å; R9-D51 WeakPolarHBondContact CD-OD1 3.11Å; R9-D51 WeakPolarHBondContact CG-OD1 3.43Å; R9-D51 IonicContact CZ-OD1 2.74Å; R9-D51 IonicContact NE-OD1 2.89Å; R9-D51 IonicContact NH1-OD1 2.7Å; R9-D51 PolarHBondContact NH1-OD1 3.41Å; R9-D51 IonicContact NH1-OD2 2.82Å; R9-D51 PolarHBondContact NH1-OD2 2.98Å
10	F	93.4	Very high	88.2	Confident	22 Å²	22	79 Å²	79	10%	0.096	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	142.5	171.9	170.4	-106	0	0	0	110.3	Y2 I4 V12 I49 I50 I76 V78	Y2-F10 AromaticContact CD1-CE2 3.59Å; Y2-F10 HydrophobicContact CD1-CE2 3.59Å; Y2-F10 AromaticContact CD1-CZ 3.84Å; Y2-F10 HydrophobicContact CD1-CZ 3.84Å; Y2-F10 AromaticContact CD2-CZ 4Å; Y2-F10 HydrophobicContact CD2-CZ 4Å; Y2-F10 HydrophobicContact CE1-CE2 4.4Å; Y2-F10 AromaticContact CG-CE2 3.67Å; Y2-F10 HydrophobicContact CG-CE2 3.67Å; Y2-F10 AromaticContact CG-CZ 3.54Å; Y2-F10 HydrophobicContact CG-CZ 3.54Å; I4-F10 HydrophobicContact CB-CB 4.42Å; I4-F10 HydrophobicContact CD1-CB 3.27Å; I4-F10 HydrophobicContact CD1-CD1 3.55Å; I4-F10 HydrophobicContact CD1-CD2 3.76Å; I4-F10 HydrophobicContact CD1-CE1 4.27Å; I4-F10 HydrophobicContact CD1-CE2 4.47Å; I4-F10 HydrophobicContact CD1-CG 3.23Å; I4-F10 HydrophobicContact CG1-CB 3.64Å; I4-F10 HydrophobicContact CG1-CD1 4.36Å; I4-F10 HydrophobicContact CG1-CD2 3.63Å; I4-F10 HydrophobicContact CG1-CE2 4.36Å; I4-F10 HydrophobicContact CG1-CG 3.62Å; I4-F10 HydrophobicContact CG2-CB 3.89Å; F10-V12 HydrophobicContact CE1-CB 4.06Å; F10-V12 HydrophobicContact CE1-CG1 3.5Å; F10-V12 VanDerWaalsContact CE1-CG1 3.5Å; F10-V12 HydrophobicContact CE2-CB 4.35Å; F10-V12 HydrophobicContact CZ-CB 3.67Å; F10-V12 HydrophobicContact CZ-CG1 3.55Å; F10-I49 WeakPolarHBondContact O-CA 3.39Å; F10-I50 HydrophobicContact CB-CB 4.34Å; F10-I50 HydrophobicContact CD1-CD1 4.05Å; F10-I50 HydrophobicContact CD1-CG1 4.27Å; F10-I50 PolarHBondContact N-O 3.07Å; F10-I50 PolarHBondContact O-N 3.06Å; F10-I76 HydrophobicContact CE1-CD1 4.46Å; F10-V78 HydrophobicContact CE1-CG2 4.04Å
11	E	94.6	Very high	88.4	Confident	101 Å²	101	78.7 Å²	78.7	47%	0.472	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	130.4	-178.8	-175	167.3	152.8	0	0	108.8	R9 L48 I49	R9-E11 IonicContact CZ-OE2 3.68Å; R9-E11 IonicContact NE-OE2 3.94Å; R9-E11 PolarHBondContact NE-OE2 3.48Å; R9-E11 IonicContact NH2-OE2 3.57Å; R9-E11 PolarHBondContact NH2-OE2 2.96Å; E11-L48 WeakPolarHBondContact CA-O 3.34Å; E11-I49 HydrophobicContact CB-CG1 4.47Å; E11-I49 HydrophobicContact CG-CG1 3.96Å
12	V	95	Very high	88.8	Confident	15 Å²	15	78.5 Å²	78.5	9%	0.091	43%	0.434	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	123.7	176.6	61.5	0	0	0	0	109.8	Y2 F10 W27 S47 L48 I76	Y2-V12 HydrophobicContact CE1-CG2 4.29Å; Y2-V12 HydrophobicContact CE2-CG2 4.17Å; F10-V12 HydrophobicContact CE1-CB 4.06Å; F10-V12 HydrophobicContact CE1-CG1 3.5Å; F10-V12 VanDerWaalsContact CE1-CG1 3.5Å; F10-V12 HydrophobicContact CE2-CB 4.35Å; F10-V12 HydrophobicContact CZ-CB 3.67Å; F10-V12 HydrophobicContact CZ-CG1 3.55Å; V12-W27 HydrophobicContact CG1-CH2 4.29Å; V12-W27 HydrophobicContact CG1-CZ2 4.3Å; V12-S47 CarbonylContact O-C 3.58Å; V12-S47 VanDerWaalsContact O-CA 3.31Å; V12-S47 WeakPolarHBondContact O-CA 3.38Å; V12-L48 HydrophobicContact CG1-CB 3.97Å; V12-L48 HydrophobicContact CG1-CD2 4.39Å; V12-L48 PolarHBondContact N-O 3.42Å; V12-L48 PolarHBondContact O-N 3.41Å; V12-I76 HydrophobicContact CG1-CD1 3.61Å
13	A	93.2	Very high	89	Confident	62 Å²	62	74.5 Å²	74.5	51%	0.512	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	134.3	176	0	0	0	0	0	110.7	S47	A13-S47 WeakPolarHBondContact CA-OG 3.47Å
14	C	92.7	Very high	89.5	Confident	20 Å²	20	76.9 Å²	76.9	14%	0.135	43%	0.432	C	S	.	.			trans	-89.6	124.3	162.4	-175.9	0	0	0	0	109.8	P16 W27 Y46 C63	C14-P16 VanDerWaalsContact O-CD 3.29Å; C14-P16 WeakPolarHBondContact O-CD 3.5Å; C14-W27 HydrophobicContact CB-CH2 4.5Å; C14-W27 HydrophobicContact CB-CZ2 3.61Å; C14-Y46 VanDerWaalsContact CB-O 3.25Å; C14-Y46 WeakPolarHBondContact CB-O 3.43Å; C14-Y46 PolarHBondContact N-O 3.01Å; C14-C63 HydrophobicContact CB-CB 3.69Å; C14-C63 WeakPolarHBondContact CB-SG 3.48Å; C14-C63 WeakPolarHBondContact SG-CB 3.39Å; C14-C63 CovalentContact SG-SG 2.01Å; C14-C63 PolarHBondContact SG-SG 3.17Å
15	I	89.1	Confident	90	Very high	154 Å²	154	77 Å²	77	79%	0.79	43%	0.433	S	S	*	.			trans	-95.5	107.4	172.5	-56	172.6	0	0	0	107.2
16	P	80	Confident	90.6	Very high	43 Å²	43	78 Å²	78	28%	0.279	43%	0.431	S	S	.	.	P	Polyproline II helix	trans	-72.5	150.5	-177.5	29.7	-35.2	0	0	0	112	C14 V25 Y46	C14-P16 VanDerWaalsContact O-CD 3.29Å; C14-P16 WeakPolarHBondContact O-CD 3.5Å; P16-V25 HydrophobicContact CB-CB 4.36Å; P16-V25 HydrophobicContact CB-CG1 4.15Å; P16-V25 HydrophobicContact CB-CG2 3.35Å; P16-V25 HydrophobicContact CG-CG2 3.93Å; P16-Y46 HydrophobicContact CG-CD2 4.08Å; P16-Y46 HydrophobicContact CG-CE2 4.15Å
17	P	83.6	Confident	91.1	Very high	70 Å²	70	73 Å²	73	46%	0.455	41%	0.407	S	S	.	.	P	Polyproline II helix	trans	-66.3	157	171.1	30.3	-34.7	0	0	0	110.8	A65	P17-A65 HydrophobicContact CG-CB 3.95Å
18	T	88.8	Confident	91.5	Very high	147 Å²	147	71.4 Å²	71.4	90%	0.902	39%	0.389	S	S	*	.	P	Polyproline II helix	trans	-70.3	147.3	168.5	53.8	0	0	0	0	110.6
19	G	88.6	Confident	91.7	Very high	29 Å²	29	70.7 Å²	70.7	30%	0.299	38%	0.383	S	S	.	.			trans	-167.9	155.6	178.6	0	0	0	0	0	113.1	P21 T22	G19-P21 CarbonylContact C-O 3.51Å; G19-P21 VanDerWaalsContact C-O 3.31Å; G19-P21 CarbonylContact O-C 3.37Å; G19-T22 WeakPolarHBondContact O-CA 3.46Å; G19-T22 PolarHBondContact O-N 3.09Å
20	Q	89.7	Confident	91.2	Very high	179 Å²	179	67.6 Å²	67.6	84%	0.836	39%	0.39	S	S	*	.	S	Bend	trans	-125.5	124.9	175	-75.6	-170.7	-3.7	0	0	111.6
21	P	92.9	Very high	90.8	Very high	72 Å²	72	72.7 Å²	72.7	47%	0.468	42%	0.418	S	S	.	.	S	Bend	cis	-58.8	162.8	-11.6	-22.8	36.6	0	0	0	112.2	G19 N67 L68	G19-P21 CarbonylContact C-O 3.51Å; G19-P21 VanDerWaalsContact C-O 3.31Å; G19-P21 CarbonylContact O-C 3.37Å; P21-N67 WeakPolarHBondContact O-CB 3.3Å; P21-N67 PolarHBondContact O-ND2 2.91Å; P21-L68 HydrophobicContact CG-CD2 3.4Å; P21-L68 VanDerWaalsContact CG-CD2 3.4Å; P21-L68 HydrophobicContact CG-CG 4.21Å
22	T	91.4	Very high	90.8	Very high	124 Å²	124	72.5 Å²	72.5	76%	0.761	42%	0.424	S	S	*	.	P	Polyproline II helix	trans	-48.5	124.8	179.8	-53.1	0	0	0	0	110	G19	G19-T22 WeakPolarHBondContact O-CA 3.46Å; G19-T22 PolarHBondContact O-N 3.09Å
23	P	93.3	Very high	90.7	Very high	18 Å²	18	76 Å²	76	12%	0.117	45%	0.447	C	S	.	.	P	Polyproline II helix	trans	-62	140.4	179.3	-21.9	33.3	0	0	0	112.1	A65 E66	P23-A65 HydrophobicContact CB-CB 4.15Å; P23-E66 CarbonylContact C-O 3.59Å; P23-E66 VanDerWaalsContact CA-O 3.32Å; P23-E66 WeakPolarHBondContact CA-O 3.26Å
24	N	92.6	Very high	90.8	Very high	98 Å²	98	74.3 Å²	74.3	52%	0.524	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	132.9	164.1	-177.6	41.4	0	0	0	108.8	A65 E66	N24-A65 WeakPolarHBondContact O-CA 3.34Å; N24-E66 HydrophobicContact CB-CG 4.31Å; N24-E66 PolarHBondContact N-O 2.9Å; N24-E66 PolarHBondContact O-N 3.08Å
25	V	93.9	Very high	90.8	Very high	13 Å²	13	75.4 Å²	75.4	8%	0.079	44%	0.444	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	125.8	-170.5	-174.7	0	0	0	0	109.5	P16 Y46 V64 A65	P16-V25 HydrophobicContact CB-CB 4.36Å; P16-V25 HydrophobicContact CB-CG1 4.15Å; P16-V25 HydrophobicContact CB-CG2 3.35Å; P16-V25 HydrophobicContact CG-CG2 3.93Å; V25-Y46 HydrophobicContact CB-CD1 3.66Å; V25-Y46 HydrophobicContact CB-CE1 3.85Å; V25-Y46 HydrophobicContact CB-CG 4.17Å; V25-Y46 HydrophobicContact CG1-CD1 3.89Å; V25-Y46 HydrophobicContact CG1-CG 3.99Å; V25-Y46 HydrophobicContact CG2-CE1 4.44Å; V25-V64 VanDerWaalsContact CA-O 3.28Å; V25-V64 WeakPolarHBondContact CA-O 3.48Å; V25-A65 HydrophobicContact CG2-CB 4.26Å
26	Y	94.3	Very high	90.9	Very high	65 Å²	65	72.7 Å²	72.7	26%	0.255	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151	157.3	-179.2	57.5	-85.1	0	0	0	111.2	T28 V64 E66	Y26-T28 HydrophobicContact CD2-CG2 3.58Å; Y26-T28 HydrophobicContact CE2-CG2 3.44Å; Y26-T28 VanDerWaalsContact CE2-CG2 3.44Å; Y26-V64 HydrophobicContact CD2-CB 4.26Å; Y26-V64 HydrophobicContact CE1-CB 4.19Å; Y26-V64 HydrophobicContact CE1-CG1 4.15Å; Y26-V64 HydrophobicContact CE2-CB 3.84Å; Y26-V64 HydrophobicContact CE2-CG1 4.22Å; Y26-V64 HydrophobicContact CE2-CG2 4.1Å; Y26-V64 PolarHBondContact N-O 2.89Å; Y26-V64 PolarHBondContact O-N 3.29Å; Y26-E66 VanDerWaalsContact CE1-CD 3.49Å; Y26-E66 HydrophobicContact CE1-CG 3.92Å; Y26-E66 WeakPolarHBondContact CE1-OE1 3.29Å; Y26-E66 PolarHBondContact OH-OE2 3.49Å
27	W	96.5	Very high	91.4	Very high	5 Å²	5	78.2 Å²	78.2	2%	0.019	45%	0.453	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	143.7	175.5	-75	93.8	0	0	0	111.3	V12 C14 I34 A42 Y46 L48 D62 C63 I76	V12-W27 HydrophobicContact CG1-CH2 4.29Å; V12-W27 HydrophobicContact CG1-CZ2 4.3Å; C14-W27 HydrophobicContact CB-CH2 4.5Å; C14-W27 HydrophobicContact CB-CZ2 3.61Å; W27-I34 HydrophobicContact CB-CB 4.29Å; W27-I34 HydrophobicContact CB-CD1 4.09Å; W27-I34 HydrophobicContact CB-CG1 4.48Å; W27-I34 PolarHBondContact O-N 2.87Å; W27-A42 HydrophobicContact CB-CB 4.18Å; W27-A42 HydrophobicContact CG-CB 4.4Å; W27-Y46 PolarHBondContact NE1-O 3.04Å; W27-L48 HydrophobicContact CD2-CB 3.83Å; W27-L48 HydrophobicContact CD2-CD2 4.48Å; W27-L48 HydrophobicContact CE3-CB 4.35Å; W27-L48 HydrophobicContact CE3-CD2 4.21Å; W27-L48 HydrophobicContact CG-CB 4.17Å; W27-L48 HydrophobicContact CH2-CB 4.41Å; W27-L48 HydrophobicContact CZ2-CB 3.89Å; W27-L48 HydrophobicContact CZ3-CD2 4.3Å; W27-D62 CarbonylContact C-O 3.59Å; W27-D62 WeakPolarHBondContact CA-O 3.34Å; W27-D62 VanDerWaalsContact CE3-C 3.45Å; W27-C63 HydrophobicContact CD2-CB 4.06Å; W27-C63 HydrophobicContact CE3-CB 3.98Å; W27-C63 HydrophobicContact CH2-CB 3.88Å; W27-C63 HydrophobicContact CZ2-CB 3.97Å; W27-C63 HydrophobicContact CZ3-CB 3.86Å; W27-I76 HydrophobicContact CH2-CD1 3.75Å; W27-I76 HydrophobicContact CH2-CG1 4.12Å; W27-I76 HydrophobicContact CH2-CG2 4.48Å; W27-I76 HydrophobicContact CZ3-CD1 3.86Å; W27-I76 HydrophobicContact CZ3-CG1 3.88Å
28	T	95.3	Very high	91.8	Very high	6 Å²	6	77.4 Å²	77.4	4%	0.037	46%	0.458	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	153.6	172.9	67.2	0	0	0	0	110.8	Y26 V32 Y61 D62 V64	Y26-T28 HydrophobicContact CD2-CG2 3.58Å; Y26-T28 HydrophobicContact CE2-CG2 3.44Å; Y26-T28 VanDerWaalsContact CE2-CG2 3.44Å; T28-V32 CarbonylContact C-O 3.53Å; T28-V32 VanDerWaalsContact CA-O 3.23Å; T28-V32 WeakPolarHBondContact CA-O 3.44Å; T28-Y61 WeakPolarHBondContact O-CA 3.43Å; T28-D62 PolarHBondContact N-O 2.85Å; T28-D62 PolarHBondContact O-N 3.49Å; T28-D62 WeakPolarHBondContact OG1-CB 3.32Å; T28-V64 HydrophobicContact CG2-CG2 3.9Å
29	R	94.2	Very high	92.1	Very high	116 Å²	116	73.5 Å²	73.5	44%	0.438	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	108.1	170.6	-173.6	179.7	79.6	160.3	6	108.7	V32 I34 D56 Y61	R29-V32 PolarHBondContact N-O 3.28Å; R29-V32 PolarHBondContact O-N 2.88Å; R29-I34 HydrophobicContact CB-CD1 4.19Å; R29-I34 HydrophobicContact CB-CG1 4.42Å; R29-D56 PolarHBondContact NH1-O 2.84Å; R29-Y61 HydrophobicContact CB-CD1 4.27Å; R29-Y61 HydrophobicContact CB-CE1 4.25Å; R29-Y61 HydrophobicContact CG-CD1 4.46Å; R29-Y61 HydrophobicContact CG-CE1 4.21Å
30	G	82.1	Confident	92.4	Very high	61 Å²	61	73.5 Å²	73.5	63%	0.629	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.3	55.4	-177.6	0	0	0	0	0	112.2	V32	G30-V32 PolarHBondContact O-N 3.39Å; G30-V32 VanDerWaalsContact O-N 3.12Å
31	D	85.9	Confident	92.7	Very high	129 Å²	129	68.5 Å²	68.5	69%	0.69	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	67	-4	-177.1	-56	-46.9	0	0	0	117	K73	D31-K73 IonicContact OD1-NZ 3.5Å
32	V	93	Very high	92.8	Very high	97 Å²	97	65.9 Å²	65.9	59%	0.588	38%	0.378	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.6	121.8	176.6	-176.9	0	0	0	0	110.7	T28 R29 G30	T28-V32 CarbonylContact C-O 3.53Å; T28-V32 VanDerWaalsContact CA-O 3.23Å; T28-V32 WeakPolarHBondContact CA-O 3.44Å; R29-V32 PolarHBondContact N-O 3.28Å; R29-V32 PolarHBondContact O-N 2.88Å; G30-V32 PolarHBondContact O-N 3.39Å; G30-V32 VanDerWaalsContact O-N 3.12Å
33	P	93.2	Very high	92.8	Very high	89 Å²	89	61.6 Å²	61.6	58%	0.578	35%	0.352	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-61.4	139.5	174.6	-22.7	33.9	0	0	0	112.8
34	I	95.6	Very high	92.6	Very high	25 Å²	25	68 Å²	68	13%	0.128	39%	0.385	C	S	.	.	P	Polyproline II helix	trans	-93.5	124.9	176.8	-58.8	178.2	0	0	0	108.3	W27 R29 V40 A42 L48 Y61	W27-I34 HydrophobicContact CB-CB 4.29Å; W27-I34 HydrophobicContact CB-CD1 4.09Å; W27-I34 HydrophobicContact CB-CG1 4.48Å; W27-I34 PolarHBondContact O-N 2.87Å; R29-I34 HydrophobicContact CB-CD1 4.19Å; R29-I34 HydrophobicContact CB-CG1 4.42Å; I34-V40 HydrophobicContact CD1-CG1 4.2Å; I34-V40 HydrophobicContact CG2-CG1 4.16Å; I34-A42 HydrophobicContact CG2-CB 4.49Å; I34-L48 HydrophobicContact CD1-CD1 3.8Å; I34-Y61 HydrophobicContact CD1-CD1 3.55Å; I34-Y61 HydrophobicContact CD1-CE1 3.7Å
35	G	92.9	Very high	92.4	Very high	44 Å²	44	67.5 Å²	67.5	45%	0.454	38%	0.383	S	S	.	.			trans	-75	177.9	177.5	0	0	0	0	0	113.9	R41 A42	G35-R41 CarbonylContact O-C 3.31Å; G35-R41 WeakPolarHBondContact O-CA 3.06Å; G35-R41 WeakPolarHBondContact O-CB 3.37Å; G35-A42 PolarHBondContact O-N 2.9Å
36	D	91.8	Very high	92.4	Very high	97 Å²	97	71.4 Å²	71.4	52%	0.519	40%	0.397	S	S	.	.	S	Bend	trans	-84.9	-11.6	179.2	64.7	-26.9	0	0	0	114	R41 A42	D36-R41 WeakPolarHBondContact O-CD 3.32Å; D36-A42 VanDerWaalsContact CA-O 3.31Å; D36-A42 WeakPolarHBondContact CA-O 3.47Å
37	Q	89.6	Confident	92.4	Very high	158 Å²	158	68.5 Å²	68.5	74%	0.738	39%	0.386	S	S	*	.	S	Bend	trans	-115.7	150.9	-176.5	-66.1	-178.2	16.1	0	0	113.2
38	G	91.5	Very high	92.4	Very high	54 Å²	54	68.2 Å²	68.2	56%	0.557	39%	0.385	S	S	*	.	S	Bend	trans	99.6	-165	177.7	0	0	0	0	0	113.3	R41	G38-R41 WeakPolarHBondContact O-CD 3.45Å
39	R	94.7	Very high	92.4	Very high	64 Å²	64	68.2 Å²	68.2	24%	0.242	38%	0.384	C	S	.	.	S	Bend	trans	-77.6	-39.6	-171.2	-173.1	-177.5	59.3	73.9	2.4	113.2	D51 D57	R39-D51 VanDerWaalsContact CD-O 3.27Å; R39-D51 WeakPolarHBondContact CD-O 3.5Å; R39-D51 HydrophobicContact CG-CB 4.41Å; R39-D51 WeakPolarHBondContact CG-O 3.49Å; R39-D51 PolarHBondContact O-N 3.35Å; R39-D57 IonicContact CZ-OD1 3.4Å; R39-D57 IonicContact CZ-OD2 3.5Å; R39-D57 IonicContact NH1-OD1 3.47Å; R39-D57 PolarHBondContact NH1-OD1 2.79Å; R39-D57 VanDerWaalsContact NH1-OD1 3.14Å; R39-D57 IonicContact NH1-OD2 2.78Å; R39-D57 PolarHBondContact NH1-OD2 2.81Å; R39-D57 IonicContact NH2-OD1 3.56Å; R39-D57 PolarHBondContact NH2-OD1 3Å; R39-D57 IonicContact NH2-OD2 2.77Å
40	V	96	Very high	92.6	Very high	30 Å²	30	62.7 Å²	62.7	18%	0.182	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	113.8	171.3	179.6	0	0	0	0	105.5	I34 L48 I49 I50 Y61	I34-V40 HydrophobicContact CD1-CG1 4.2Å; I34-V40 HydrophobicContact CG2-CG1 4.16Å; V40-L48 HydrophobicContact CG1-CD1 4.15Å; V40-I49 WeakPolarHBondContact CA-O 3.49Å; V40-I50 HydrophobicContact CG1-CG1 4.3Å; V40-I50 HydrophobicContact CG2-CG1 4.29Å; V40-I50 HydrophobicContact CG2-CG2 4.25Å; V40-Y61 HydrophobicContact CG1-CE1 4.01Å
41	R	95.7	Very high	93.1	Very high	74 Å²	74	61.9 Å²	61.9	28%	0.279	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	153.6	-172.7	58.3	178.2	171.9	143.6	-1.3	112.5	G35 D36 G38 I49 D51	G35-R41 CarbonylContact O-C 3.31Å; G35-R41 WeakPolarHBondContact O-CA 3.06Å; G35-R41 WeakPolarHBondContact O-CB 3.37Å; D36-R41 WeakPolarHBondContact O-CD 3.32Å; G38-R41 WeakPolarHBondContact O-CD 3.45Å; R41-I49 HydrophobicContact CG-CB 4.12Å; R41-I49 PolarHBondContact N-O 3.34Å; R41-I49 PolarHBondContact O-N 3.34Å; R41-D51 IonicContact NE-OD2 3.96Å; R41-D51 IonicContact NH2-OD2 3.28Å
42	A	94.8	Very high	93.5	Very high	16 Å²	16	58.8 Å²	58.8	13%	0.132	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	129.3	170.7	0	0	0	0	0	109.5	W27 I34 G35 D36 S47	W27-A42 HydrophobicContact CB-CB 4.18Å; W27-A42 HydrophobicContact CG-CB 4.4Å; I34-A42 HydrophobicContact CG2-CB 4.49Å; G35-A42 PolarHBondContact O-N 2.9Å; D36-A42 VanDerWaalsContact CA-O 3.31Å; D36-A42 WeakPolarHBondContact CA-O 3.47Å; A42-S47 CarbonylContact C-O 3.59Å; A42-S47 VanDerWaalsContact CA-O 3.3Å; A42-S47 WeakPolarHBondContact CA-O 3.41Å
43	T	92.9	Very high	93.4	Very high	34 Å²	34	54.2 Å²	54.2	21%	0.209	31%	0.305	C	S	.	.			trans	-95.3	164.9	179.1	39.7	0	0	0	0	112.2	D45 Y46 S47 I49	T43-D45 WeakPolarHBondContact CB-OD1 3.35Å; T43-D45 PolarHBondContact O-N 2.82Å; T43-D45 VanDerWaalsContact O-N 3.16Å; T43-D45 PolarHBondContact OG1-OD1 2.81Å; T43-Y46 WeakPolarHBondContact O-CA 3.28Å; T43-Y46 PolarHBondContact O-N 2.99Å; T43-S47 PolarHBondContact N-O 3.16Å; T43-S47 WeakPolarHBondContact OG1-CB 3.37Å; T43-S47 PolarHBondContact OG1-O 3.46Å; T43-S47 VanDerWaalsContact OG1-O 3.11Å; T43-I49 HydrophobicContact CG2-CD1 3.47Å; T43-I49 VanDerWaalsContact CG2-CD1 3.47Å; T43-I49 HydrophobicContact CG2-CG1 4.41Å
44	D	87.8	Confident	93.4	Very high	152 Å²	152	56.4 Å²	56.4	81%	0.813	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	-20.8	-177.6	-62.6	-28.3	0	0	0	113.9	Y46	D44-Y46 PolarHBondContact O-N 2.87Å
45	D	89.4	Confident	93	Very high	88 Å²	88	58.3 Å²	58.3	47%	0.471	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.5	10.9	173.1	72.1	-29.9	0	0	0	113.1	T43 S47	T43-D45 WeakPolarHBondContact CB-OD1 3.35Å; T43-D45 PolarHBondContact O-N 2.82Å; T43-D45 VanDerWaalsContact O-N 3.16Å; T43-D45 PolarHBondContact OG1-OD1 2.81Å; D45-S47 VanDerWaalsContact C-N 3.27Å; D45-S47 VanDerWaalsContact CG-OG 3.28Å; D45-S47 PolarHBondContact O-N 3.22Å; D45-S47 WeakPolarHBondContact OD1-CB 3.23Å; D45-S47 PolarHBondContact OD1-N 3.12Å; D45-S47 PolarHBondContact OD1-OG 2.86Å; D45-S47 PolarHBondContact OD2-OG 2.87Å
46	Y	92.3	Very high	92.8	Very high	96 Å²	96	62.7 Å²	62.7	38%	0.376	33%	0.334	S	S	.	.	S	Bend	trans	66.2	21.1	-177	-39.7	-59.9	0	0	0	114.5	C14 P16 V25 W27 T43 D44	C14-Y46 VanDerWaalsContact CB-O 3.25Å; C14-Y46 WeakPolarHBondContact CB-O 3.43Å; C14-Y46 PolarHBondContact N-O 3.01Å; P16-Y46 HydrophobicContact CG-CD2 4.08Å; P16-Y46 HydrophobicContact CG-CE2 4.15Å; V25-Y46 HydrophobicContact CB-CD1 3.66Å; V25-Y46 HydrophobicContact CB-CE1 3.85Å; V25-Y46 HydrophobicContact CB-CG 4.17Å; V25-Y46 HydrophobicContact CG1-CD1 3.89Å; V25-Y46 HydrophobicContact CG1-CG 3.99Å; V25-Y46 HydrophobicContact CG2-CE1 4.44Å; W27-Y46 PolarHBondContact NE1-O 3.04Å; T43-Y46 WeakPolarHBondContact O-CA 3.28Å; T43-Y46 PolarHBondContact O-N 2.99Å; D44-Y46 PolarHBondContact O-N 2.87Å
47	S	94.6	Very high	92.9	Very high	3 Å²	3	58 Å²	58	2%	0.021	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	141.7	175.4	-60.7	0	0	0	0	112.6	V12 A13 A42 T43 D45	V12-S47 CarbonylContact O-C 3.58Å; V12-S47 VanDerWaalsContact O-CA 3.31Å; V12-S47 WeakPolarHBondContact O-CA 3.38Å; A13-S47 WeakPolarHBondContact CA-OG 3.47Å; A42-S47 CarbonylContact C-O 3.59Å; A42-S47 VanDerWaalsContact CA-O 3.3Å; A42-S47 WeakPolarHBondContact CA-O 3.41Å; T43-S47 PolarHBondContact N-O 3.16Å; T43-S47 WeakPolarHBondContact OG1-CB 3.37Å; T43-S47 PolarHBondContact OG1-O 3.46Å; T43-S47 VanDerWaalsContact OG1-O 3.11Å; D45-S47 VanDerWaalsContact C-N 3.27Å; D45-S47 VanDerWaalsContact CG-OG 3.28Å; D45-S47 PolarHBondContact O-N 3.22Å; D45-S47 WeakPolarHBondContact OD1-CB 3.23Å; D45-S47 PolarHBondContact OD1-N 3.12Å; D45-S47 PolarHBondContact OD1-OG 2.86Å; D45-S47 PolarHBondContact OD2-OG 2.87Å
48	L	96.8	Very high	93	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	122	168.4	173.8	69.2	0	0	0	108.9	E11 V12 W27 I34 V40 Y61 I76	E11-L48 WeakPolarHBondContact CA-O 3.34Å; V12-L48 HydrophobicContact CG1-CB 3.97Å; V12-L48 HydrophobicContact CG1-CD2 4.39Å; V12-L48 PolarHBondContact N-O 3.42Å; V12-L48 PolarHBondContact O-N 3.41Å; W27-L48 HydrophobicContact CD2-CB 3.83Å; W27-L48 HydrophobicContact CD2-CD2 4.48Å; W27-L48 HydrophobicContact CE3-CB 4.35Å; W27-L48 HydrophobicContact CE3-CD2 4.21Å; W27-L48 HydrophobicContact CG-CB 4.17Å; W27-L48 HydrophobicContact CH2-CB 4.41Å; W27-L48 HydrophobicContact CZ2-CB 3.89Å; W27-L48 HydrophobicContact CZ3-CD2 4.3Å; I34-L48 HydrophobicContact CD1-CD1 3.8Å; V40-L48 HydrophobicContact CG1-CD1 4.15Å; L48-Y61 HydrophobicContact CD1-CD1 4.11Å; L48-Y61 HydrophobicContact CD1-CE1 4.28Å; L48-Y61 HydrophobicContact CD2-CD1 3.47Å; L48-Y61 VanDerWaalsContact CD2-CD1 3.47Å; L48-Y61 HydrophobicContact CD2-CE1 4.03Å; L48-Y61 HydrophobicContact CD2-CG 3.75Å; L48-Y61 HydrophobicContact CG-CD1 4.45Å; L48-I76 HydrophobicContact CD2-CD1 4.08Å
49	I	96.5	Very high	93	Very high	6 Å²	6	54.3 Å²	54.3	3%	0.031	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	129.2	176.7	-60.1	171.5	0	0	0	109.5	F10 E11 V40 R41 T43	F10-I49 WeakPolarHBondContact O-CA 3.39Å; E11-I49 HydrophobicContact CB-CG1 4.47Å; E11-I49 HydrophobicContact CG-CG1 3.96Å; V40-I49 WeakPolarHBondContact CA-O 3.49Å; R41-I49 HydrophobicContact CG-CB 4.12Å; R41-I49 PolarHBondContact N-O 3.34Å; R41-I49 PolarHBondContact O-N 3.34Å; T43-I49 HydrophobicContact CG2-CD1 3.47Å; T43-I49 VanDerWaalsContact CG2-CD1 3.47Å; T43-I49 HydrophobicContact CG2-CG1 4.41Å
50	I	96.9	Very high	93	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	99.5	168.7	-56.1	176.3	0	0	0	107.3	I4 R9 F10 V40 A53 D57 V78	I4-I50 HydrophobicContact CD1-CD1 4.35Å; R9-I50 CarbonylContact C-O 3.55Å; R9-I50 WeakPolarHBondContact CA-O 3.35Å; F10-I50 HydrophobicContact CB-CB 4.34Å; F10-I50 HydrophobicContact CD1-CD1 4.05Å; F10-I50 HydrophobicContact CD1-CG1 4.27Å; F10-I50 PolarHBondContact N-O 3.07Å; F10-I50 PolarHBondContact O-N 3.06Å; V40-I50 HydrophobicContact CG1-CG1 4.3Å; V40-I50 HydrophobicContact CG2-CG1 4.29Å; V40-I50 HydrophobicContact CG2-CG2 4.25Å; I50-A53 HydrophobicContact CG2-CB 4.17Å; I50-D57 HydrophobicContact CD1-CB 4.38Å; I50-D57 HydrophobicContact CG2-CB 4.38Å; I50-V78 HydrophobicContact CD1-CG1 4.14Å; I50-V78 HydrophobicContact CD1-CG2 4.42Å
51	D	94.2	Very high	93.1	Very high	43 Å²	43	54.8 Å²	54.8	23%	0.23	28%	0.283	C	S	.	.	S	Bend	trans	-78.4	133	173.2	-76.5	-46	0	0	0	109.5	R9 R39 R41	R9-D51 VanDerWaalsContact CD-OD1 3.27Å; R9-D51 WeakPolarHBondContact CD-OD1 3.11Å; R9-D51 WeakPolarHBondContact CG-OD1 3.43Å; R9-D51 IonicContact CZ-OD1 2.74Å; R9-D51 IonicContact NE-OD1 2.89Å; R9-D51 IonicContact NH1-OD1 2.7Å; R9-D51 PolarHBondContact NH1-OD1 3.41Å; R9-D51 IonicContact NH1-OD2 2.82Å; R9-D51 PolarHBondContact NH1-OD2 2.98Å; R39-D51 VanDerWaalsContact CD-O 3.27Å; R39-D51 WeakPolarHBondContact CD-O 3.5Å; R39-D51 HydrophobicContact CG-CB 4.41Å; R39-D51 WeakPolarHBondContact CG-O 3.49Å; R39-D51 PolarHBondContact O-N 3.35Å; R41-D51 IonicContact NE-OD2 3.96Å; R41-D51 IonicContact NH2-OD2 3.28Å
52	S	92.4	Very high	93.1	Very high	64 Å²	64	52 Å²	52	45%	0.448	27%	0.274	S	S	.	.	S	Bend	trans	50.1	70.6	179.8	-165.7	0	0	0	0	113.5	K8	K8-S52 PolarHBondContact O-N 2.99Å
53	A	91.2	Very high	93.1	Very high	1 Å²	1	51.5 Å²	51.5	1%	0.008	27%	0.27	C	S	.	.			trans	-53.9	136.4	-175.3	0	0	0	0	0	113.5	I4 Q6 G7 K8 I50 V80	I4-A53 HydrophobicContact CB-CB 4.32Å; I4-A53 HydrophobicContact CG2-CB 3.73Å; Q6-A53 WeakPolarHBondContact CG-O 3.44Å; G7-A53 PolarHBondContact N-O 2.96Å; K8-A53 WeakPolarHBondContact O-CB 3.41Å; K8-A53 PolarHBondContact O-N 2.79Å; I50-A53 HydrophobicContact CG2-CB 4.17Å; A53-V80 HydrophobicContact CB-CG1 4.2Å; A53-V80 HydrophobicContact CB-CG2 4.22Å
54	R	92.7	Very high	93.2	Very high	136 Å²	136	50 Å²	50	51%	0.513	26%	0.26	S	S	.	.			trans	-121.2	158.9	-179.2	-57.4	-177.9	-177.6	173.1	-1.2	110.2	D56 D57 V80	R54-D56 PolarHBondContact O-N 2.82Å; R54-D56 VanDerWaalsContact O-N 3.15Å; R54-D57 PolarHBondContact N-OD2 2.84Å; R54-D57 WeakPolarHBondContact O-CB 3.45Å; R54-D57 PolarHBondContact O-N 2.79Å; R54-V80 VanDerWaalsContact O-CG2 3.3Å; R54-V80 WeakPolarHBondContact O-CG2 3.2Å
55	A	87.3	Confident	93.5	Very high	64 Å²	64	43 Å²	43	53%	0.529	22%	0.224	S	C	.	.	G	3₁₀ helix	trans	-55.4	-35.5	179.8	0	0	0	0	0	113.2	D57 K58	A55-D57 PolarHBondContact O-N 3.47Å; A55-K58 WeakPolarHBondContact O-CB 3.17Å; A55-K58 PolarHBondContact O-N 3.43Å; A55-K58 VanDerWaalsContact O-N 3.13Å
56	D	90.7	Very high	93.7	Very high	136 Å²	136	41.9 Å²	41.9	73%	0.727	22%	0.215	S	C	*	.	G	3₁₀ helix	trans	-73.1	-8.1	178.9	-58.1	-22.9	0	0	0	114.3	R29 R54	R29-D56 PolarHBondContact NH1-O 2.84Å; R54-D56 PolarHBondContact O-N 2.82Å; R54-D56 VanDerWaalsContact O-N 3.15Å
57	D	93.2	Very high	93.8	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	-81.3	-6.8	170.7	-55.6	-41.9	0	0	0	111.9	R39 I50 R54 A55 G59 Y61 V80	R39-D57 IonicContact CZ-OD1 3.4Å; R39-D57 IonicContact CZ-OD2 3.5Å; R39-D57 IonicContact NH1-OD1 3.47Å; R39-D57 PolarHBondContact NH1-OD1 2.79Å; R39-D57 VanDerWaalsContact NH1-OD1 3.14Å; R39-D57 IonicContact NH1-OD2 2.78Å; R39-D57 PolarHBondContact NH1-OD2 2.81Å; R39-D57 IonicContact NH2-OD1 3.56Å; R39-D57 PolarHBondContact NH2-OD1 3Å; R39-D57 IonicContact NH2-OD2 2.77Å; I50-D57 HydrophobicContact CD1-CB 4.38Å; I50-D57 HydrophobicContact CG2-CB 4.38Å; R54-D57 PolarHBondContact N-OD2 2.84Å; R54-D57 WeakPolarHBondContact O-CB 3.45Å; R54-D57 PolarHBondContact O-N 2.79Å; A55-D57 PolarHBondContact O-N 3.47Å; D57-G59 PolarHBondContact O-N 3.45Å; D57-Y61 WeakPolarHBondContact O-CE2 3.33Å; D57-Y61 PolarHBondContact O-OH 2.9Å; D57-V80 HydrophobicContact CB-CG2 4.19Å
58	K	90.8	Very high	93.8	Very high	118 Å²	118	46.2 Å²	46.2	51%	0.513	24%	0.244	S	C	.	.			trans	-62.4	122.9	172	178.3	-172.9	170.9	-172.4	0	108.9	A55 F77 V78	A55-K58 WeakPolarHBondContact O-CB 3.17Å; A55-K58 PolarHBondContact O-N 3.43Å; A55-K58 VanDerWaalsContact O-N 3.13Å; K58-F77 HydrophobicContact CG-CE1 4.46Å; K58-F77 HydrophobicContact CG-CZ 4.38Å; K58-V78 WeakPolarHBondContact CA-O 3.43Å
59	G	92.8	Very high	93.6	Very high	16 Å²	16	50.2 Å²	50.2	17%	0.165	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	163.4	-170.5	177.6	0	0	0	0	0	114	D57 V78	D57-G59 PolarHBondContact O-N 3.45Å; G59-V78 PolarHBondContact N-O 2.79Å; G59-V78 PolarHBondContact O-N 3.4Å
60	E	95.2	Very high	93.5	Very high	103 Å²	103	51.6 Å²	51.6	48%	0.481	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	132.3	179.9	-169.2	171.9	149.4	0	0	110.2	T75 I76 F77	E60-T75 VanDerWaalsContact CD-CG2 3.45Å; E60-T75 HydrophobicContact CG-CG2 3.27Å; E60-T75 WeakPolarHBondContact OE1-CG2 3.3Å; E60-I76 WeakPolarHBondContact CA-O 3.33Å; E60-F77 HydrophobicContact CB-CD2 4.48Å
61	Y	96.5	Very high	93.3	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	126.2	177.5	-67.6	-103.3	0	0	0	108	T28 R29 I34 V40 L48 D57 I76 V78	T28-Y61 WeakPolarHBondContact O-CA 3.43Å; R29-Y61 HydrophobicContact CB-CD1 4.27Å; R29-Y61 HydrophobicContact CB-CE1 4.25Å; R29-Y61 HydrophobicContact CG-CD1 4.46Å; R29-Y61 HydrophobicContact CG-CE1 4.21Å; I34-Y61 HydrophobicContact CD1-CD1 3.55Å; I34-Y61 HydrophobicContact CD1-CE1 3.7Å; V40-Y61 HydrophobicContact CG1-CE1 4.01Å; L48-Y61 HydrophobicContact CD1-CD1 4.11Å; L48-Y61 HydrophobicContact CD1-CE1 4.28Å; L48-Y61 HydrophobicContact CD2-CD1 3.47Å; L48-Y61 VanDerWaalsContact CD2-CD1 3.47Å; L48-Y61 HydrophobicContact CD2-CE1 4.03Å; L48-Y61 HydrophobicContact CD2-CG 3.75Å; L48-Y61 HydrophobicContact CG-CD1 4.45Å; D57-Y61 WeakPolarHBondContact O-CE2 3.33Å; D57-Y61 PolarHBondContact O-OH 2.9Å; Y61-I76 PolarHBondContact N-O 3.42Å; Y61-I76 WeakPolarHBondContact O-CG1 3.27Å; Y61-I76 PolarHBondContact O-N 2.81Å; Y61-V78 HydrophobicContact CD2-CB 4.02Å; Y61-V78 HydrophobicContact CD2-CG2 3.67Å; Y61-V78 HydrophobicContact CE2-CB 3.84Å; Y61-V78 HydrophobicContact CE2-CG2 3.85Å
62	D	95.5	Very high	93.2	Very high	16 Å²	16	61.7 Å²	61.7	9%	0.086	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	126	177.3	-69.2	-30.2	0	0	0	109.5	W27 T28 V64 K73 G74 T75	W27-D62 CarbonylContact C-O 3.59Å; W27-D62 WeakPolarHBondContact CA-O 3.34Å; W27-D62 VanDerWaalsContact CE3-C 3.45Å; T28-D62 PolarHBondContact N-O 2.85Å; T28-D62 PolarHBondContact O-N 3.49Å; T28-D62 WeakPolarHBondContact OG1-CB 3.32Å; D62-V64 HydrophobicContact CB-CG2 4.09Å; D62-K73 HydrophobicContact CB-CD 4.44Å; D62-K73 IonicContact OD2-NZ 3.47Å; D62-G74 WeakPolarHBondContact CA-O 3.07Å; D62-T75 WeakPolarHBondContact OD1-CA 3.2Å; D62-T75 VanDerWaalsContact OD1-CB 3.27Å; D62-T75 WeakPolarHBondContact OD1-CB 3.45Å; D62-T75 WeakPolarHBondContact OD1-CG2 3.32Å; D62-T75 PolarHBondContact OD1-OG1 2.95Å
63	C	95.6	Very high	93.3	Very high	6 Å²	6	63.8 Å²	63.8	4%	0.041	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	116.7	157.6	178.5	0	0	0	0	108.5	C14 W27 K73 G74	C14-C63 HydrophobicContact CB-CB 3.69Å; C14-C63 WeakPolarHBondContact CB-SG 3.48Å; C14-C63 WeakPolarHBondContact SG-CB 3.39Å; C14-C63 CovalentContact SG-SG 2.01Å; C14-C63 PolarHBondContact SG-SG 3.17Å; W27-C63 HydrophobicContact CD2-CB 4.06Å; W27-C63 HydrophobicContact CE3-CB 3.98Å; W27-C63 HydrophobicContact CH2-CB 3.88Å; W27-C63 HydrophobicContact CZ2-CB 3.97Å; W27-C63 HydrophobicContact CZ3-CB 3.86Å; C63-K73 CarbonylContact O-C 3.56Å; C63-K73 WeakPolarHBondContact O-CA 3.36Å; C63-G74 PolarHBondContact N-O 3.2Å; C63-G74 PolarHBondContact O-N 2.76Å
64	V	94.7	Very high	93.4	Very high	2 Å²	2	65.6 Å²	65.6	1%	0.012	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	127.2	-178.2	-171.9	0	0	0	0	108.7	V25 Y26 T28 D62 I71 K73	V25-V64 VanDerWaalsContact CA-O 3.28Å; V25-V64 WeakPolarHBondContact CA-O 3.48Å; Y26-V64 HydrophobicContact CD2-CB 4.26Å; Y26-V64 HydrophobicContact CE1-CB 4.19Å; Y26-V64 HydrophobicContact CE1-CG1 4.15Å; Y26-V64 HydrophobicContact CE2-CB 3.84Å; Y26-V64 HydrophobicContact CE2-CG1 4.22Å; Y26-V64 HydrophobicContact CE2-CG2 4.1Å; Y26-V64 PolarHBondContact N-O 2.89Å; Y26-V64 PolarHBondContact O-N 3.29Å; T28-V64 HydrophobicContact CG2-CG2 3.9Å; D62-V64 HydrophobicContact CB-CG2 4.09Å; V64-I71 HydrophobicContact CG1-CG2 3.59Å; V64-K73 HydrophobicContact CG1-CG 4.28Å; V64-K73 HydrophobicContact CG2-CD 4.29Å; V64-K73 HydrophobicContact CG2-CG 4.09Å
65	A	94.6	Very high	93.5	Very high	6 Å²	6	63 Å²	63	5%	0.05	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	119.4	171.6	0	0	0	0	0	109.1	P17 P23 N24 V25 I71 K72	P17-A65 HydrophobicContact CG-CB 3.95Å; P23-A65 HydrophobicContact CB-CB 4.15Å; N24-A65 WeakPolarHBondContact O-CA 3.34Å; V25-A65 HydrophobicContact CG2-CB 4.26Å; A65-I71 WeakPolarHBondContact O-CA 3.07Å; A65-K72 PolarHBondContact N-O 3.45Å; A65-K72 PolarHBondContact O-N 3.11Å
66	E	93.6	Very high	93.8	Very high	63 Å²	63	61 Å²	61	29%	0.294	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	142.5	-176.1	70.6	-174.9	-171.7	0	0	113.3	P23 N24 Y26 G70 I71	P23-E66 CarbonylContact C-O 3.59Å; P23-E66 VanDerWaalsContact CA-O 3.32Å; P23-E66 WeakPolarHBondContact CA-O 3.26Å; N24-E66 HydrophobicContact CB-CG 4.31Å; N24-E66 PolarHBondContact N-O 2.9Å; N24-E66 PolarHBondContact O-N 3.08Å; Y26-E66 VanDerWaalsContact CE1-CD 3.49Å; Y26-E66 HydrophobicContact CE1-CG 3.92Å; Y26-E66 WeakPolarHBondContact CE1-OE1 3.29Å; Y26-E66 PolarHBondContact OH-OE2 3.49Å; E66-G70 WeakPolarHBondContact CA-O 3.18Å; E66-I71 HydrophobicContact CB-CB 4.38Å; E66-I71 HydrophobicContact CB-CG1 3.8Å; E66-I71 HydrophobicContact CB-CG2 4.35Å
67	N	93.8	Very high	94	Very high	41 Å²	41	57.8 Å²	57.8	22%	0.219	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	-175	167.2	65.1	8.6	0	0	0	109.4	P21 A69 G70	P21-N67 WeakPolarHBondContact O-CB 3.3Å; P21-N67 PolarHBondContact O-ND2 2.91Å; N67-A69 PolarHBondContact O-N 3.37Å; N67-A69 VanDerWaalsContact O-N 3.07Å; N67-A69 WeakPolarHBondContact OD1-CA 3.39Å; N67-A69 VanDerWaalsContact OD1-CB 3.28Å; N67-A69 WeakPolarHBondContact OD1-CB 3.31Å; N67-A69 PolarHBondContact OD1-N 2.85Å; N67-G70 PolarHBondContact N-O 2.91Å; N67-G70 PolarHBondContact O-N 3.05Å; N67-G70 PolarHBondContact OD1-N 2.92Å; N67-G70 PolarHBondContact OD1-O 3.43Å
68	L	94.4	Very high	93.9	Very high	149 Å²	149	57.8 Å²	57.8	78%	0.78	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-17.7	177	65.8	94	0	0	0	114.5	P21	P21-L68 HydrophobicContact CG-CD2 3.4Å; P21-L68 VanDerWaalsContact CG-CD2 3.4Å; P21-L68 HydrophobicContact CG-CG 4.21Å
69	A	92.6	Very high	93.8	Very high	84 Å²	84	53 Å²	53	69%	0.694	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.4	-21.6	177.6	0	0	0	0	0	112.8	N67	N67-A69 PolarHBondContact O-N 3.37Å; N67-A69 VanDerWaalsContact O-N 3.07Å; N67-A69 WeakPolarHBondContact OD1-CA 3.39Å; N67-A69 VanDerWaalsContact OD1-CB 3.28Å; N67-A69 WeakPolarHBondContact OD1-CB 3.31Å; N67-A69 PolarHBondContact OD1-N 2.85Å
70	G	93.9	Very high	93.5	Very high	36 Å²	36	52.8 Å²	52.8	37%	0.371	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	153.6	-167.5	175.6	0	0	0	0	0	114.1	E66 N67	E66-G70 WeakPolarHBondContact CA-O 3.18Å; N67-G70 PolarHBondContact N-O 2.91Å; N67-G70 PolarHBondContact O-N 3.05Å; N67-G70 PolarHBondContact OD1-N 2.92Å; N67-G70 PolarHBondContact OD1-O 3.43Å
71	I	93.7	Very high	92.7	Very high	103 Å²	103	48.1 Å²	48.1	53%	0.528	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	134	-174.9	-54.6	173.2	0	0	0	109.1	V64 A65 E66 K73	V64-I71 HydrophobicContact CG1-CG2 3.59Å; A65-I71 WeakPolarHBondContact O-CA 3.07Å; E66-I71 HydrophobicContact CB-CB 4.38Å; E66-I71 HydrophobicContact CB-CG1 3.8Å; E66-I71 HydrophobicContact CB-CG2 4.35Å; I71-K73 HydrophobicContact CG2-CG 4.46Å
72	K	93.2	Very high	91.7	Very high	152 Å²	152	52.5 Å²	52.5	66%	0.661	29%	0.291	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-123.7	139.2	169.3	-73.4	-65.4	-174.3	-177.2	0	109.7	A65	A65-K72 PolarHBondContact N-O 3.45Å; A65-K72 PolarHBondContact O-N 3.11Å
73	K	93.2	Very high	90.6	Very high	107 Å²	107	55 Å²	55	47%	0.465	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	135.5	177.9	-60.2	-168.3	172.7	-170.2	0	110.4	D31 D62 C63 V64 I71	D31-K73 IonicContact OD1-NZ 3.5Å; D62-K73 HydrophobicContact CB-CD 4.44Å; D62-K73 IonicContact OD2-NZ 3.47Å; C63-K73 CarbonylContact O-C 3.56Å; C63-K73 WeakPolarHBondContact O-CA 3.36Å; V64-K73 HydrophobicContact CG1-CG 4.28Å; V64-K73 HydrophobicContact CG2-CD 4.29Å; V64-K73 HydrophobicContact CG2-CG 4.09Å; I71-K73 HydrophobicContact CG2-CG 4.46Å
74	G	93.7	Very high	89.8	Confident	40 Å²	40	54.9 Å²	54.9	41%	0.412	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	114.2	167.7	0	0	0	0	0	109.4	D62 C63	D62-G74 WeakPolarHBondContact CA-O 3.07Å; C63-G74 PolarHBondContact N-O 3.2Å; C63-G74 PolarHBondContact O-N 2.76Å
75	T	94.5	Very high	89.3	Confident	80 Å²	80	59.1 Å²	59.1	49%	0.491	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	130.9	-172.7	-56	0	0	0	0	111.4	E60 D62	E60-T75 VanDerWaalsContact CD-CG2 3.45Å; E60-T75 HydrophobicContact CG-CG2 3.27Å; E60-T75 WeakPolarHBondContact OE1-CG2 3.3Å; D62-T75 WeakPolarHBondContact OD1-CA 3.2Å; D62-T75 VanDerWaalsContact OD1-CB 3.27Å; D62-T75 WeakPolarHBondContact OD1-CB 3.45Å; D62-T75 WeakPolarHBondContact OD1-CG2 3.32Å; D62-T75 PolarHBondContact OD1-OG1 2.95Å
76	I	94.8	Very high	89	Confident	23 Å²	23	59.5 Å²	59.5	12%	0.118	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	146.1	168.5	70	169.1	0	0	0	109.8	Y2 F10 V12 W27 L48 E60 Y61 V78	Y2-I76 HydrophobicContact CD2-CB 4.1Å; Y2-I76 HydrophobicContact CD2-CD1 4.19Å; Y2-I76 HydrophobicContact CD2-CG2 4.43Å; Y2-I76 HydrophobicContact CE2-CB 4.06Å; Y2-I76 HydrophobicContact CE2-CD1 4.34Å; Y2-I76 HydrophobicContact CE2-CG2 3.87Å; F10-I76 HydrophobicContact CE1-CD1 4.46Å; V12-I76 HydrophobicContact CG1-CD1 3.61Å; W27-I76 HydrophobicContact CH2-CD1 3.75Å; W27-I76 HydrophobicContact CH2-CG1 4.12Å; W27-I76 HydrophobicContact CH2-CG2 4.48Å; W27-I76 HydrophobicContact CZ3-CD1 3.86Å; W27-I76 HydrophobicContact CZ3-CG1 3.88Å; L48-I76 HydrophobicContact CD2-CD1 4.08Å; E60-I76 WeakPolarHBondContact CA-O 3.33Å; Y61-I76 PolarHBondContact N-O 3.42Å; Y61-I76 WeakPolarHBondContact O-CG1 3.27Å; Y61-I76 PolarHBondContact O-N 2.81Å; I76-V78 HydrophobicContact CD1-CG2 4.18Å
77	F	93.2	Very high	88.8	Confident	68 Å²	68	61.4 Å²	61.4	30%	0.298	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	122.8	170.7	-166.5	-90	0	0	0	109.3	M1 Y2 K58 E60	M1-F77 CarbonylContact C-O 3.49Å; M1-F77 WeakPolarHBondContact CA-O 3.34Å; M1-F77 HydrophobicContact CB-CB 4.38Å; M1-F77 HydrophobicContact CE-CB 4.32Å; M1-F77 HydrophobicContact CE-CD1 3.61Å; M1-F77 HydrophobicContact CE-CE1 4.19Å; M1-F77 HydrophobicContact CE-CG 4.12Å; M1-F77 HydrophobicContact CG-CB 4.23Å; M1-F77 HydrophobicContact CG-CD1 3.97Å; M1-F77 HydrophobicContact SD-CD1 4.14Å; Y2-F77 PolarHBondContact N-O 2.05Å; K58-F77 HydrophobicContact CG-CE1 4.46Å; K58-F77 HydrophobicContact CG-CZ 4.38Å; E60-F77 HydrophobicContact CB-CD2 4.48Å
78	V	92.5	Very high	88.7	Confident	0 Å²	0	65.5 Å²	65.5	0%	0	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	126.7	175.9	174.2	0	0	0	0	109	I4 F10 I50 K58 G59 Y61 I76 V80	I4-V78 HydrophobicContact CD1-CG1 3.34Å; I4-V78 HydrophobicContact CG1-CG1 4.34Å; F10-V78 HydrophobicContact CE1-CG2 4.04Å; I50-V78 HydrophobicContact CD1-CG1 4.14Å; I50-V78 HydrophobicContact CD1-CG2 4.42Å; K58-V78 WeakPolarHBondContact CA-O 3.43Å; G59-V78 PolarHBondContact N-O 2.79Å; G59-V78 PolarHBondContact O-N 3.4Å; Y61-V78 HydrophobicContact CD2-CB 4.02Å; Y61-V78 HydrophobicContact CD2-CG2 3.67Å; Y61-V78 HydrophobicContact CE2-CB 3.84Å; Y61-V78 HydrophobicContact CE2-CG2 3.85Å; I76-V78 HydrophobicContact CD1-CG2 4.18Å; V78-V80 HydrophobicContact CG1-CG2 4.45Å
79	H	87.6	Confident	88.8	Confident	18 Å²	18	61.5 Å²	61.5	8%	0.083	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	132.3	172.5	-168.9	93.3	0	0	0	109.8	Y2 V3 I4 N110 Y112	Y2-H79 PolarHBondContact O-N 3.15Å; V3-H79 CarbonylContact C-O 3.39Å; V3-H79 WeakPolarHBondContact CA-O 3.47Å; V3-H79 HydrophobicContact CG1-CB 4.37Å; V3-H79 HydrophobicContact CG2-CB 4.47Å; I4-H79 PolarHBondContact N-O 2.7Å; H79-N110 PolarHBondContact NE2-ND2 3.24Å; H79-Y112 PolarHBondContact NE2-O 3.27Å; H79-Y112 VanDerWaalsContact NE2-O 3.1Å
80	V	86.3	Confident	88.9	Confident	12 Å²	12	57.9 Å²	57.9	7%	0.073	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	112.7	175.7	-176.5	0	0	0	0	109.7	I4 Q6 A53 R54 D57 V78	I4-V80 CarbonylContact O-C 3.52Å; I4-V80 VanDerWaalsContact O-CA 3.27Å; I4-V80 WeakPolarHBondContact O-CA 3.11Å; Q6-V80 HydrophobicContact CB-CG1 4.01Å; Q6-V80 HydrophobicContact CG-CG1 4.42Å; A53-V80 HydrophobicContact CB-CG1 4.2Å; A53-V80 HydrophobicContact CB-CG2 4.22Å; R54-V80 VanDerWaalsContact O-CG2 3.3Å; R54-V80 WeakPolarHBondContact O-CG2 3.2Å; D57-V80 HydrophobicContact CB-CG2 4.19Å; V78-V80 HydrophobicContact CG1-CG2 4.45Å
81	S	78.1	Confident	89	Confident	5 Å²	5	60.2 Å²	60.2	4%	0.035	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	150.2	-179.9	61.9	0	0	0	0	110.7	I4 S5 Q6 E166	I4-S81 PolarHBondContact O-N 2.92Å; I4-S81 PolarHBondContact O-OG 3.33Å; S5-S81 CarbonylContact C-O 3.51Å; S5-S81 WeakPolarHBondContact CA-OG 3.35Å; Q6-S81 WeakPolarHBondContact CB-O 3.37Å; Q6-S81 PolarHBondContact N-O 2.81Å; S81-E166 WeakPolarHBondContact CB-OE1 3.23Å; S81-E166 VanDerWaalsContact OG-CD 3.22Å; S81-E166 PolarHBondContact OG-OE1 3.47Å; S81-E166 PolarHBondContact OG-OE2 2.95Å
82	K	76.1	Confident	89.2	Confident	92 Å²	92	59 Å²	59	40%	0.4	31%	0.313	S	S	.	.			trans	-119	153.1	171.4	64.3	-179.8	178.6	-178	0	109.4	N110	K82-N110 WeakPolarHBondContact CE-OD1 3.4Å
83	P	73.4	Confident	89.3	Confident	67 Å²	67	53.7 Å²	53.7	44%	0.435	29%	0.292	S	S	.	.			trans	-53.5	141.1	173.2	-25.3	34.5	0	0	0	111.2
84	P	78.2	Confident	89.4	Confident	4 Å²	4	53.6 Å²	53.6	3%	0.026	29%	0.293	C	S	.	.			trans	-65.3	144.8	174.7	30.1	-34.3	0	0	0	109.4	R108 V162 T164 V170	P84-R108 WeakPolarHBondContact CA-O 3.37Å; P84-V162 HydrophobicContact CB-CG1 3.82Å; P84-V162 HydrophobicContact CG-CG1 4.14Å; P84-T164 HydrophobicContact CB-CG2 4.28Å; P84-T164 HydrophobicContact CG-CG2 3.9Å; P84-V170 HydrophobicContact CG-CB 4.47Å; P84-V170 HydrophobicContact CG-CG2 3.86Å
85	V	83.9	Confident	89.5	Confident	91 Å²	91	52.7 Å²	52.7	55%	0.552	28%	0.279	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120.3	126.8	175.4	-179.1	0	0	0	0	108.4	E87 F107 R108	V85-E87 PolarHBondContact O-N 2.84Å; V85-F107 CarbonylContact O-C 3.55Å; V85-F107 VanDerWaalsContact O-CA 3.29Å; V85-F107 WeakPolarHBondContact O-CA 3.35Å; V85-R108 PolarHBondContact N-O 3.48Å; V85-R108 VanDerWaalsContact N-O 3.07Å; V85-R108 PolarHBondContact O-N 3.38Å
86	I	88.6	Confident	89.4	Confident	14 Å²	14	52.7 Å²	52.7	7%	0.072	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	118.7	172	-61.7	175.7	0	0	0	107.6	H89 S106 V162 V170 Y171 S172	I86-H89 WeakPolarHBondContact CG2-ND1 3.38Å; I86-S106 CarbonylContact C-O 3.58Å; I86-V162 HydrophobicContact CD1-CG2 4.21Å; I86-V162 HydrophobicContact CG1-CG2 4Å; I86-V170 HydrophobicContact CD1-CG1 3.88Å; I86-V170 HydrophobicContact CG1-CG1 4.03Å; I86-Y171 VanDerWaalsContact CD1-C 3.47Å; I86-S172 VanDerWaalsContact CD1-N 3.31Å
87	E	89.2	Confident	89	Confident	104 Å²	104	53.2 Å²	53.2	49%	0.486	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	-37	-179.3	-54.9	-160.1	130.4	0	0	112.1	V85 S106 R108	V85-E87 PolarHBondContact O-N 2.84Å; E87-S106 PolarHBondContact N-O 2.89Å; E87-R108 HydrophobicContact CG-CB 4.02Å; E87-R108 IonicContact OE1-CZ 3.93Å; E87-R108 IonicContact OE1-NE 3.54Å; E87-R108 PolarHBondContact OE1-NE 2.97Å; E87-R108 IonicContact OE1-NH2 2.93Å; E87-R108 PolarHBondContact OE1-NH2 3.47Å; E87-R108 IonicContact OE2-NH2 2.81Å
88	R	92.7	Very high	88.6	Confident	127 Å²	127	51.9 Å²	51.9	48%	0.479	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	112.2	179.4	-170.9	172.3	177.9	-162.9	-11.3	109	D104 C105 S106	R88-D104 IonicContact CZ-OD2 3.52Å; R88-D104 IonicContact NH1-OD2 3.73Å; R88-D104 PolarHBondContact NH1-OD2 2.88Å; R88-D104 VanDerWaalsContact NH1-OD2 3.1Å; R88-D104 IonicContact NH2-OD2 2.63Å; R88-D104 PolarHBondContact NH2-OD2 2.99Å; R88-C105 WeakPolarHBondContact O-CA 3.3Å; R88-S106 PolarHBondContact N-O 2.84Å; R88-S106 PolarHBondContact O-N 2.87Å
89	H	94.6	Very high	88.5	Confident	65 Å²	65	53.6 Å²	53.6	30%	0.301	29%	0.293	S	S	.	.			trans	-78.1	149	170.6	-59	-71.1	0	0	0	110.3	I86 D104 Q173	I86-H89 WeakPolarHBondContact CG2-ND1 3.38Å; H89-D104 CarbonylContact C-O 3.56Å; H89-Q173 HydrophobicContact CB-CB 4.16Å; H89-Q173 PolarHBondContact ND1-N 2.85Å
90	P	95.9	Very high	88.7	Confident	8 Å²	8	57.6 Å²	57.6	5%	0.052	32%	0.315	C	S	.	.			trans	-65.4	149.6	173.4	29.4	-33.9	0	0	0	110.7	M103 D104 W119 S172 A175	P90-M103 HydrophobicContact CB-CB 4.14Å; P90-D104 VanDerWaalsContact CA-O 3.23Å; P90-D104 WeakPolarHBondContact CA-O 3.38Å; P90-W119 HydrophobicContact CB-CH2 3.84Å; P90-W119 HydrophobicContact CB-CZ3 4.35Å; P90-W119 HydrophobicContact CG-CH2 3.94Å; P90-W119 HydrophobicContact CG-CZ3 4.17Å; P90-S172 WeakPolarHBondContact CD-OG 3.31Å; P90-A175 HydrophobicContact CB-CB 3.67Å; P90-A175 HydrophobicContact CG-CB 3.83Å
91	S	96	Very high	89	Confident	84 Å²	84	57.1 Å²	57.1	59%	0.587	31%	0.313	S	S	*	.			trans	-108.6	139.2	178.5	-53.8	0	0	0	0	110.1
92	S	96.7	Very high	89.8	Confident	79 Å²	79	62.6 Å²	62.6	55%	0.552	33%	0.333	S	S	*	.			trans	-55.8	138.2	172.3	-58.7	0	0	0	0	110.7	L176	S92-L176 CarbonylContact C-O 3.58Å; S92-L176 VanDerWaalsContact CA-O 3.24Å; S92-L176 WeakPolarHBondContact CA-O 3.02Å; S92-L176 WeakPolarHBondContact CB-O 2.95Å; S92-L176 PolarHBondContact OG-N 2.75Å
93	L	96.1	Very high	90.7	Very high	40 Å²	40	58.4 Å²	58.4	21%	0.209	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	150.4	-175.6	74.2	96.3	0	0	0	111.4	V95 A101 R102 M103 L176 L177 R178	L93-V95 HydrophobicContact CD1-CB 4.11Å; L93-V95 HydrophobicContact CD1-CG1 3.26Å; L93-V95 HydrophobicContact CD1-CG2 3.93Å; L93-A101 HydrophobicContact CD1-CB 4.03Å; L93-R102 WeakPolarHBondContact CD2-O 3.49Å; L93-M103 HydrophobicContact CD2-CE 3.99Å; L93-M103 HydrophobicContact CD2-CG 3.78Å; L93-M103 HydrophobicContact CG-CE 4.41Å; L93-L176 PolarHBondContact N-O 2.97Å; L93-L177 HydrophobicContact CD1-CD1 3.25Å; L93-L177 HydrophobicContact CD2-CD1 4.3Å; L93-L177 HydrophobicContact CG-CD1 3.6Å; L93-R178 PolarHBondContact O-N 3.47Å
94	E	95.8	Very high	91.7	Very high	104 Å²	104	56.3 Å²	56.3	49%	0.486	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	121.5	176	-172.8	172.7	164.9	0	0	109.4	R178 R180	E94-R178 VanDerWaalsContact CA-O 3.3Å; E94-R178 WeakPolarHBondContact CA-O 3.26Å; E94-R178 HydrophobicContact CB-CB 4.11Å; E94-R178 HydrophobicContact CG-CB 3.93Å; E94-R180 HydrophobicContact CG-CG 4.11Å; E94-R180 WeakPolarHBondContact OE1-CD 3.48Å; E94-R180 VanDerWaalsContact OE1-CG 3.25Å; E94-R180 WeakPolarHBondContact OE1-CG 3.5Å; E94-R180 IonicContact OE1-CZ 2.72Å; E94-R180 IonicContact OE1-NE 3.59Å; E94-R180 PolarHBondContact OE1-NE 2.81Å; E94-R180 IonicContact OE1-NH2 2.72Å
95	V	95.4	Very high	92.4	Very high	22 Å²	22	56.1 Å²	56.1	13%	0.133	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	153	-176.7	-79.4	0	0	0	0	110.9	L93 S99 A101 V150 L177 R178 V179 R180	L93-V95 HydrophobicContact CD1-CB 4.11Å; L93-V95 HydrophobicContact CD1-CG1 3.26Å; L93-V95 HydrophobicContact CD1-CG2 3.93Å; V95-S99 WeakPolarHBondContact CB-OG 3.3Å; V95-A101 HydrophobicContact CG1-CB 4.34Å; V95-A101 HydrophobicContact CG2-CB 4.35Å; V95-V150 HydrophobicContact CG2-CB 4.32Å; V95-V150 HydrophobicContact CG2-CG1 3.88Å; V95-V150 HydrophobicContact CG2-CG2 4.27Å; V95-L177 HydrophobicContact CG2-CD1 3.64Å; V95-R178 PolarHBondContact N-O 2.94Å; V95-V179 HydrophobicContact CG2-CG2 4.38Å; V95-V179 CarbonylContact O-C 3.53Å; V95-V179 WeakPolarHBondContact O-CA 3.39Å; V95-R180 PolarHBondContact O-N 2.96Å
96	E	91.9	Very high	92.6	Very high	80 Å²	80	53.9 Å²	53.9	37%	0.374	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	144.5	173.3	-151.5	-174.1	167.9	0	0	110.7	G98 S99 R180 R182	E96-G98 PolarHBondContact O-N 2.83Å; E96-S99 PolarHBondContact N-OG 2.76Å; E96-S99 WeakPolarHBondContact O-CB 3.22Å; E96-S99 PolarHBondContact O-N 2.59Å; E96-S99 PolarHBondContact O-OG 2.89Å; E96-R180 HydrophobicContact CG-CB 4.42Å; E96-R182 VanDerWaalsContact CD-NH2 3.25Å; E96-R182 HydrophobicContact CG-CG 3.86Å; E96-R182 VanDerWaalsContact OE1-CG 3.29Å; E96-R182 WeakPolarHBondContact OE1-CG 3.34Å; E96-R182 IonicContact OE1-CZ 2.61Å; E96-R182 IonicContact OE1-NE 3.3Å; E96-R182 PolarHBondContact OE1-NE 2.96Å; E96-R182 IonicContact OE1-NH2 3.92Å; E96-R182 PolarHBondContact OE1-NH2 2.89Å; E96-R182 IonicContact OE2-CZ 3.67Å; E96-R182 IonicContact OE2-NE 2.73Å; E96-R182 PolarHBondContact OE2-NE 3.42Å; E96-R182 IonicContact OE2-NH2 3.62Å; E96-R182 PolarHBondContact OE2-NH2 3.04Å
97	E	87.1	Confident	92.4	Very high	33 Å²	33	55.1 Å²	55.1	15%	0.154	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.1	132.8	173.9	-176.8	179.7	-159.3	0	0	111.1	S99 V150 V179 R180 R182 K184	E97-S99 VanDerWaalsContact C-N 3.32Å; E97-V150 CarbonylContact C-O 3.54Å; E97-V150 WeakPolarHBondContact CA-O 3.45Å; E97-V179 HydrophobicContact CB-CG1 4.22Å; E97-R180 PolarHBondContact N-O 2.84Å; E97-R182 HydrophobicContact CB-CG 4.24Å; E97-R182 VanDerWaalsContact O-CD 3.3Å; E97-R182 WeakPolarHBondContact O-CD 3.07Å; E97-R182 PolarHBondContact O-NE 3.38Å; E97-R182 PolarHBondContact OE2-N 2.77Å; E97-K184 IonicContact OE1-NZ 2.72Å; E97-K184 PolarHBondContact OE1-NZ 2.82Å; E97-K184 IonicContact OE2-NZ 3.77Å; E97-K184 PolarHBondContact OE2-NZ 2.72Å
98	G	84.6	Confident	91.9	Very high	40 Å²	40	56.7 Å²	56.7	41%	0.412	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	86.5	-10.4	-177.3	0	0	0	0	0	115.1	E96 V150	E96-G98 PolarHBondContact O-N 2.83Å; G98-V150 PolarHBondContact N-O 2.88Å
99	S	90.6	Very high	90.6	Very high	36 Å²	36	51.9 Å²	51.9	25%	0.252	28%	0.283	S	S	.	.	S	Bend	trans	-80.3	170.6	170.8	70.4	0	0	0	0	111.9	V95 E96 E97 S149 V150	V95-S99 WeakPolarHBondContact CB-OG 3.3Å; E96-S99 PolarHBondContact N-OG 2.76Å; E96-S99 WeakPolarHBondContact O-CB 3.22Å; E96-S99 PolarHBondContact O-N 2.59Å; E96-S99 PolarHBondContact O-OG 2.89Å; E97-S99 VanDerWaalsContact C-N 3.32Å; S99-S149 PolarHBondContact O-N 3.11Å; S99-V150 WeakPolarHBondContact O-CB 3.19Å; S99-V150 VanDerWaalsContact O-CG2 3.25Å; S99-V150 WeakPolarHBondContact O-CG2 3.44Å; S99-V150 PolarHBondContact O-N 3.13Å
100	D	91.6	Very high	89	Confident	102 Å²	102	51 Å²	51	55%	0.545	28%	0.281	S	S	.	.			trans	-96.4	136.1	177.9	-68.2	-6.7	0	0	0	110.4	I147 R148 S149	D100-I147 CarbonylContact C-O 3.42Å; D100-I147 VanDerWaalsContact CA-O 3.31Å; D100-I147 WeakPolarHBondContact CA-O 3.5Å; D100-R148 WeakPolarHBondContact OD1-CA 3.1Å; D100-S149 PolarHBondContact OD1-N 2.73Å
101	A	93.6	Very high	87.2	Confident	3 Å²	3	60 Å²	60	3%	0.025	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	145.2	172.8	0	0	0	0	0	111.5	L93 V95 F146 I147 V150 L177	L93-A101 HydrophobicContact CD1-CB 4.03Å; V95-A101 HydrophobicContact CG1-CB 4.34Å; V95-A101 HydrophobicContact CG2-CB 4.35Å; A101-F146 WeakPolarHBondContact O-CA 3.45Å; A101-I147 HydrophobicContact CB-CB 4.25Å; A101-I147 PolarHBondContact N-O 2.94Å; A101-I147 PolarHBondContact O-N 2.78Å; A101-V150 HydrophobicContact CB-CG2 3.7Å; A101-L177 HydrophobicContact CB-CD1 4.14Å
102	R	94.1	Very high	85.3	Confident	120 Å²	120	61 Å²	61	45%	0.453	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	125.2	177.9	177.9	-173	168.6	98.2	12.3	109.6	L93 D104 T144 L145 F146	L93-R102 WeakPolarHBondContact CD2-O 3.49Å; R102-D104 IonicContact CZ-OD1 3.14Å; R102-D104 IonicContact NE-OD1 3.4Å; R102-D104 PolarHBondContact NE-OD1 2.84Å; R102-D104 IonicContact NE-OD2 2.84Å; R102-D104 IonicContact NH2-OD1 3.46Å; R102-D104 PolarHBondContact NH2-OD1 2.87Å; R102-D104 IonicContact NH2-OD2 2.63Å; R102-T144 HydrophobicContact CG-CG2 3.69Å; R102-T144 PolarHBondContact NH2-OG1 2.77Å; R102-L145 CarbonylContact C-O 3.54Å; R102-L145 WeakPolarHBondContact CA-O 3.43Å; R102-F146 HydrophobicContact CB-CD1 4.35Å; R102-F146 HydrophobicContact CG-CD1 4.22Å; R102-F146 HydrophobicContact CG-CE1 4.01Å
103	M	95	Very high	83.4	Confident	3 Å²	3	57.9 Å²	57.9	2%	0.015	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	115.2	174.4	-64.9	-174.9	171.3	0	0	110.2	P90 L93 W119 T144 L145 Y158 A175 L177	P90-M103 HydrophobicContact CB-CB 4.14Å; L93-M103 HydrophobicContact CD2-CE 3.99Å; L93-M103 HydrophobicContact CD2-CG 3.78Å; L93-M103 HydrophobicContact CG-CE 4.41Å; M103-W119 HydrophobicContact CB-CH2 3.7Å; M103-W119 HydrophobicContact CB-CZ2 4.37Å; M103-W119 HydrophobicContact CB-CZ3 4.27Å; M103-W119 HydrophobicContact SD-CZ3 4.21Å; M103-T144 CarbonylContact O-C 3.6Å; M103-T144 WeakPolarHBondContact O-CA 3.4Å; M103-T144 WeakPolarHBondContact O-CG2 3.26Å; M103-L145 HydrophobicContact CB-CB 4.31Å; M103-L145 PolarHBondContact N-O 2.86Å; M103-L145 PolarHBondContact O-N 2.85Å; M103-L145 HydrophobicContact SD-CD2 4.46Å; M103-Y158 HydrophobicContact CE-CD2 3.65Å; M103-Y158 HydrophobicContact CE-CE2 4.29Å; M103-Y158 HydrophobicContact CE-CG 4Å; M103-Y158 WeakPolarHBondContact SD-CB 3.48Å; M103-Y158 HydrophobicContact SD-CD1 4.33Å; M103-Y158 HydrophobicContact SD-CD2 4.01Å; M103-Y158 HydrophobicContact SD-CG 3.7Å; M103-A175 HydrophobicContact CE-CB 4.46Å; M103-A175 HydrophobicContact SD-CB 4.38Å; M103-L177 HydrophobicContact CE-CB 3.66Å; M103-L177 HydrophobicContact CE-CD1 4.18Å; M103-L177 HydrophobicContact CE-CD2 4.44Å; M103-L177 HydrophobicContact CE-CG 4.32Å
104	D	93.7	Very high	81.9	Confident	23 Å²	23	60.4 Å²	60.4	12%	0.123	31%	0.308	C	S	.	.			trans	-84.5	122.5	-177.8	-68.9	-29.6	0	0	0	110.8	R88 H89 P90 R102 T144	R88-D104 IonicContact CZ-OD2 3.52Å; R88-D104 IonicContact NH1-OD2 3.73Å; R88-D104 PolarHBondContact NH1-OD2 2.88Å; R88-D104 VanDerWaalsContact NH1-OD2 3.1Å; R88-D104 IonicContact NH2-OD2 2.63Å; R88-D104 PolarHBondContact NH2-OD2 2.99Å; H89-D104 CarbonylContact C-O 3.56Å; P90-D104 VanDerWaalsContact CA-O 3.23Å; P90-D104 WeakPolarHBondContact CA-O 3.38Å; R102-D104 IonicContact CZ-OD1 3.14Å; R102-D104 IonicContact NE-OD1 3.4Å; R102-D104 PolarHBondContact NE-OD1 2.84Å; R102-D104 IonicContact NE-OD2 2.84Å; R102-D104 IonicContact NH2-OD1 3.46Å; R102-D104 PolarHBondContact NH2-OD1 2.87Å; R102-D104 IonicContact NH2-OD2 2.63Å; D104-T144 WeakPolarHBondContact OD1-CG2 3.25Å
105	C	92.4	Very high	80.6	Confident	0 Å²	0	57.2 Å²	57.2	0%	0	30%	0.296	C	S	.	.			trans	-123.9	115.1	166.7	-178.4	0	0	0	0	107.9	R88 W119 N142 G143 C160	R88-C105 WeakPolarHBondContact O-CA 3.3Å; C105-W119 HydrophobicContact CB-CH2 4.2Å; C105-W119 HydrophobicContact CB-CZ2 3.64Å; C105-N142 VanDerWaalsContact O-O 3.11Å; C105-G143 WeakPolarHBondContact CB-O 3.34Å; C105-G143 CarbonylContact O-C 3.53Å; C105-C160 HydrophobicContact CB-CB 3.56Å; C105-C160 WeakPolarHBondContact CB-SG 3.49Å; C105-C160 WeakPolarHBondContact SG-CB 3.28Å; C105-C160 CovalentContact SG-SG 2.04Å; C105-C160 PolarHBondContact SG-SG 3.36Å
106	S	89.6	Confident	79.8	Confident	44 Å²	44	60.6 Å²	60.6	31%	0.308	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	138	176.4	-52.8	0	0	0	0	109.2	I86 E87 R88	I86-S106 CarbonylContact C-O 3.58Å; E87-S106 PolarHBondContact N-O 2.89Å; R88-S106 PolarHBondContact N-O 2.84Å; R88-S106 PolarHBondContact O-N 2.87Å
107	F	84.1	Confident	79.4	Confident	41 Å²	41	57.2 Å²	57.2	18%	0.18	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	153.3	-175	62.2	-78.4	0	0	0	109.6	V85 T115 I117 V162	V85-F107 CarbonylContact O-C 3.55Å; V85-F107 VanDerWaalsContact O-CA 3.29Å; V85-F107 WeakPolarHBondContact O-CA 3.35Å; F107-T115 HydrophobicContact CE2-CG2 4.18Å; F107-T115 WeakPolarHBondContact CE2-OG1 3.27Å; F107-I117 HydrophobicContact CD1-CD1 4.05Å; F107-I117 HydrophobicContact CD1-CG1 4.47Å; F107-I117 HydrophobicContact CE1-CD1 3.12Å; F107-I117 HydrophobicContact CE1-CG1 3.79Å; F107-I117 HydrophobicContact CZ-CD1 3.51Å; F107-I117 HydrophobicContact CZ-CG1 3.95Å; F107-V162 HydrophobicContact CB-CG1 4.42Å; F107-V162 HydrophobicContact CB-CG2 3.96Å; F107-V162 HydrophobicContact CD1-CG2 4.23Å; F107-V162 HydrophobicContact CD2-CG1 3.86Å; F107-V162 HydrophobicContact CE2-CG1 4.42Å; F107-V162 HydrophobicContact CG-CG1 4.09Å; F107-V162 HydrophobicContact CG-CG2 3.97Å
108	R	78.6	Confident	79.4	Confident	137 Å²	137	58 Å²	58	52%	0.517	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	109.4	171.4	-169.7	-176.9	-61.4	-96	-3.2	108.1	P84 V85 E87	P84-R108 WeakPolarHBondContact CA-O 3.37Å; V85-R108 PolarHBondContact N-O 3.48Å; V85-R108 VanDerWaalsContact N-O 3.07Å; V85-R108 PolarHBondContact O-N 3.38Å; E87-R108 HydrophobicContact CG-CB 4.02Å; E87-R108 IonicContact OE1-CZ 3.93Å; E87-R108 IonicContact OE1-NE 3.54Å; E87-R108 PolarHBondContact OE1-NE 2.97Å; E87-R108 IonicContact OE1-NH2 2.93Å; E87-R108 PolarHBondContact OE1-NH2 3.47Å; E87-R108 IonicContact OE2-NH2 2.81Å
109	G	65.6	Low	79.8	Confident	26 Å²	26	56.1 Å²	56.1	27%	0.268	28%	0.281	S	S	.	.			trans	-125.3	155	168.2	0	0	0	0	0	109.8
110	N	59.9	Low	79.8	Confident	46 Å²	46	56.3 Å²	56.3	25%	0.246	28%	0.278	C	S	.	.			trans	-67.4	148.7	170.5	-66.6	6.2	0	0	0	108.7	H79 K82 Y112	H79-N110 PolarHBondContact NE2-ND2 3.24Å; K82-N110 WeakPolarHBondContact CE-OD1 3.4Å; N110-Y112 VanDerWaalsContact CB-O 3.3Å; N110-Y112 WeakPolarHBondContact CB-O 3.32Å; N110-Y112 PolarHBondContact O-N 3.2Å
111	E	58.1	Low	79.6	Confident	196 Å²	196	53 Å²	53	92%	0.916	26%	0.259	S	S	*	.	S	Bend	trans	-56.9	-21.7	174	-74.4	-178.7	163.9	0	0	112.6
112	Y	56.3	Low	79.3	Confident	107 Å²	107	56.5 Å²	56.5	42%	0.42	28%	0.277	S	S	.	.	S	Bend	trans	-137.3	127.5	177.4	-159.8	-104.6	0	0	0	109.3	M1 V3 H79 N110	M1-Y112 HydrophobicContact CG-CE1 4.34Å; M1-Y112 HydrophobicContact SD-CD1 3.89Å; M1-Y112 HydrophobicContact SD-CE1 3.48Å; M1-Y112 WeakPolarHBondContact SD-CE1 3.4Å; V3-Y112 HydrophobicContact CG2-CD1 3.74Å; V3-Y112 HydrophobicContact CG2-CE1 3.27Å; H79-Y112 PolarHBondContact NE2-O 3.27Å; H79-Y112 VanDerWaalsContact NE2-O 3.1Å; N110-Y112 VanDerWaalsContact CB-O 3.3Å; N110-Y112 WeakPolarHBondContact CB-O 3.32Å; N110-Y112 PolarHBondContact O-N 3.2Å
113	P	58.3	Low	78.7	Confident	13 Å²	13	59.4 Å²	59.4	8%	0.084	30%	0.296	C	S	.	.	S	Bend	cis	-72.8	155.8	-1.9	30.1	-33	0	0	0	113.4	T115 H165 E166	P113-T115 PolarHBondContact O-N 2.95Å; P113-H165 HydrophobicContact CB-CB 3.81Å; P113-E166 HydrophobicContact CG-CG 4.2Å
114	V	63.2	Low	78	Confident	93 Å²	93	63.3 Å²	63.3	56%	0.564	32%	0.32	S	S	*	.	P	Polyproline II helix	trans	-51.1	127.7	-179.9	-178.8	0	0	0	0	110.5	H165	V114-H165 PolarHBondContact O-N 3.44Å
115	T	69.5	Low	77.4	Confident	36 Å²	36	66.8 Å²	66.8	22%	0.221	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	126.3	172.7	35.8	0	0	0	0	109.4	F107 P113 V162 K163 T164	F107-T115 HydrophobicContact CE2-CG2 4.18Å; F107-T115 WeakPolarHBondContact CE2-OG1 3.27Å; P113-T115 PolarHBondContact O-N 2.95Å; T115-V162 HydrophobicContact CG2-CG1 4.44Å; T115-K163 CarbonylContact C-O 3.53Å; T115-K163 WeakPolarHBondContact CA-O 3.39Å; T115-T164 HydrophobicContact CG2-CG2 3.8Å
116	L	77	Confident	76.9	Confident	93 Å²	93	68 Å²	68	49%	0.487	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	143.3	174.7	-65.2	170.5	0	0	0	108.8	K163	L116-K163 HydrophobicContact CB-CB 4.4Å; L116-K163 PolarHBondContact N-O 2.91Å; L116-K163 PolarHBondContact O-N 3.48Å
117	I	84.2	Confident	76	Confident	10 Å²	10	70.1 Å²	70.1	5%	0.051	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	132	179	-50.6	166.5	0	0	0	108.4	F107 F139 D141 G143 I161	F107-I117 HydrophobicContact CD1-CD1 4.05Å; F107-I117 HydrophobicContact CD1-CG1 4.47Å; F107-I117 HydrophobicContact CE1-CD1 3.12Å; F107-I117 HydrophobicContact CE1-CG1 3.79Å; F107-I117 HydrophobicContact CZ-CD1 3.51Å; F107-I117 HydrophobicContact CZ-CG1 3.95Å; I117-F139 VanDerWaalsContact O-CE2 3.31Å; I117-F139 WeakPolarHBondContact O-CE2 3.38Å; I117-D141 VanDerWaalsContact CD1-O 3.26Å; I117-D141 WeakPolarHBondContact CD1-O 3.34Å; I117-G143 VanDerWaalsContact CD1-N 3.28Å; I117-I161 WeakPolarHBondContact CA-O 3.43Å
118	E	88.4	Confident	75	Confident	49 Å²	49	72.7 Å²	72.7	23%	0.229	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	160.5	172.3	-67.8	173.2	-160.3	0	0	109	L125 I161 K163	E118-L125 HydrophobicContact CB-CD2 4.11Å; E118-L125 VanDerWaalsContact OE2-CD2 3.3Å; E118-L125 WeakPolarHBondContact OE2-CD2 3.36Å; E118-I161 HydrophobicContact CB-CB 4.25Å; E118-I161 PolarHBondContact N-O 2.89Å; E118-I161 PolarHBondContact O-N 3.43Å; E118-K163 IonicContact OE1-NZ 3.75Å; E118-K163 PolarHBondContact OE1-NZ 3.28Å; E118-K163 WeakPolarHBondContact OE2-CE 3.37Å; E118-K163 IonicContact OE2-NZ 3.55Å; E118-K163 PolarHBondContact OE2-NZ 2.92Å
119	W	91.6	Very high	73.8	Confident	0 Å²	0	66.8 Å²	66.8	0%	0	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	141.5	174.9	-82.4	86	0	0	0	109.5	P90 M103 C105 I126 F139 G143 L145 T159 C160	P90-W119 HydrophobicContact CB-CH2 3.84Å; P90-W119 HydrophobicContact CB-CZ3 4.35Å; P90-W119 HydrophobicContact CG-CH2 3.94Å; P90-W119 HydrophobicContact CG-CZ3 4.17Å; M103-W119 HydrophobicContact CB-CH2 3.7Å; M103-W119 HydrophobicContact CB-CZ2 4.37Å; M103-W119 HydrophobicContact CB-CZ3 4.27Å; M103-W119 HydrophobicContact SD-CZ3 4.21Å; C105-W119 HydrophobicContact CB-CH2 4.2Å; C105-W119 HydrophobicContact CB-CZ2 3.64Å; W119-I126 HydrophobicContact CB-CB 4.3Å; W119-I126 HydrophobicContact CB-CD1 3.91Å; W119-I126 HydrophobicContact CB-CG1 4.36Å; W119-I126 WeakPolarHBondContact O-CB 3.3Å; W119-I126 PolarHBondContact O-N 2.61Å; W119-F139 HydrophobicContact CB-CE1 4.46Å; W119-F139 AromaticContact CD1-CD1 3.91Å; W119-F139 AromaticContact CD1-CD2 3.94Å; W119-F139 AromaticContact CD1-CG 3.67Å; W119-G143 VanDerWaalsContact CZ2-O 3.31Å; W119-G143 WeakPolarHBondContact CZ2-O 3.37Å; W119-G143 PolarHBondContact NE1-O 3.09Å; W119-L145 HydrophobicContact CD2-CB 3.77Å; W119-L145 HydrophobicContact CD2-CD2 3.89Å; W119-L145 HydrophobicContact CD2-CG 4.36Å; W119-L145 VanDerWaalsContact CE2-CB 3.45Å; W119-L145 HydrophobicContact CE3-CB 4.26Å; W119-L145 HydrophobicContact CE3-CD2 3.8Å; W119-L145 HydrophobicContact CG-CB 4.2Å; W119-L145 HydrophobicContact CG-CD2 4.25Å; W119-L145 HydrophobicContact CH2-CB 4.13Å; W119-L145 HydrophobicContact CZ2-CB 3.64Å; W119-L145 HydrophobicContact CZ3-CB 4.43Å; W119-L145 HydrophobicContact CZ3-CD2 4.25Å; W119-T159 WeakPolarHBondContact CA-O 3.36Å; W119-C160 HydrophobicContact CD2-CB 4.14Å; W119-C160 HydrophobicContact CE3-CB 4.2Å; W119-C160 HydrophobicContact CH2-CB 3.88Å; W119-C160 HydrophobicContact CZ2-CB 3.78Å; W119-C160 HydrophobicContact CZ3-CB 4.07Å
120	E	90.1	Very high	73.1	Confident	40 Å²	40	74.3 Å²	74.3	19%	0.187	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	142.3	170	-76	178.4	-178.7	0	0	110.3	T124 L125 Y158 T159 I161	E120-T124 CarbonylContact C-O 3.57Å; E120-T124 VanDerWaalsContact CA-O 3.29Å; E120-T124 WeakPolarHBondContact CA-O 3.34Å; E120-L125 HydrophobicContact CG-CD2 3.64Å; E120-L125 HydrophobicContact CG-CG 3.98Å; E120-Y158 VanDerWaalsContact O-CA 3.28Å; E120-Y158 WeakPolarHBondContact O-CA 3.35Å; E120-T159 PolarHBondContact N-O 3.46Å; E120-T159 PolarHBondContact O-N 3.34Å; E120-I161 HydrophobicContact CB-CD1 4.37Å; E120-I161 HydrophobicContact CG-CD1 3.54Å; E120-I161 VanDerWaalsContact OE1-CD1 3.26Å; E120-I161 WeakPolarHBondContact OE1-CD1 3.4Å
121	K	89.3	Confident	72.6	Confident	32 Å²	32	78.6 Å²	78.6	14%	0.139	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	121.6	165.8	178.8	-170.7	-172.6	-69.1	0	107.9	Q123 T124 I126 S153 D154 A155 E157 Y158	K121-Q123 PolarHBondContact O-N 2.89Å; K121-T124 PolarHBondContact N-O 2.86Å; K121-T124 WeakPolarHBondContact O-CA 3.39Å; K121-T124 WeakPolarHBondContact O-CB 3.27Å; K121-T124 PolarHBondContact O-N 2.78Å; K121-I126 HydrophobicContact CB-CD1 4.1Å; K121-I126 HydrophobicContact CB-CG1 4.2Å; K121-S153 VanDerWaalsContact CE-O 3.24Å; K121-S153 WeakPolarHBondContact CE-O 3.4Å; K121-S153 PolarHBondContact NZ-O 3.22Å; K121-D154 VanDerWaalsContact CE-C 3.48Å; K121-D154 WeakPolarHBondContact CE-O 3.38Å; K121-A155 WeakPolarHBondContact CE-O 3.37Å; K121-A155 PolarHBondContact NZ-O 2.84Å; K121-E157 CarbonylContact C-O 3.54Å; K121-E157 WeakPolarHBondContact CA-O 3.19Å; K121-Y158 HydrophobicContact CB-CD1 4.14Å; K121-Y158 HydrophobicContact CB-CE1 3.84Å; K121-Y158 HydrophobicContact CD-CE1 4.21Å; K121-Y158 HydrophobicContact CD-CE2 4.4Å; K121-Y158 WeakPolarHBondContact CD-OH 3.31Å; K121-Y158 WeakPolarHBondContact CE-OH 3.03Å; K121-Y158 HydrophobicContact CG-CE1 4Å; K121-Y158 HydrophobicContact CG-CE2 4.11Å
122	D	86	Confident	72.1	Confident	77 Å²	77	77.5 Å²	77.5	41%	0.412	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	48	47.8	-179.9	-51.2	-49.2	0	0	0	111.6	T124 G156 E157	D122-T124 PolarHBondContact O-N 2.9Å; D122-G156 WeakPolarHBondContact OD1-CA 3.43Å; D122-E157 PolarHBondContact N-O 3.41Å; D122-E157 PolarHBondContact OD1-N 2.92Å
123	Q	82.5	Confident	71.6	Confident	181 Å²	181	75.9 Å²	75.9	85%	0.846	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.3	13.3	-178	-50	170.3	-2.7	0	0	115.2	K121	K121-Q123 PolarHBondContact O-N 2.89Å
124	T	79.9	Confident	71.2	Confident	85 Å²	85	78.8 Å²	78.8	52%	0.521	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	125.5	175.9	-53.3	0	0	0	0	110.6	E120 K121 D122 I126	E120-T124 CarbonylContact C-O 3.57Å; E120-T124 VanDerWaalsContact CA-O 3.29Å; E120-T124 WeakPolarHBondContact CA-O 3.34Å; K121-T124 PolarHBondContact N-O 2.86Å; K121-T124 WeakPolarHBondContact O-CA 3.39Å; K121-T124 WeakPolarHBondContact O-CB 3.27Å; K121-T124 PolarHBondContact O-N 2.78Å; D122-T124 PolarHBondContact O-N 2.9Å; T124-I126 PolarHBondContact O-N 2.86Å
125	L	81.7	Confident	71.1	Confident	96 Å²	96	78.9 Å²	78.9	50%	0.503	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.6	131	178.6	-77.4	166.6	0	0	0	112.3	E118 E120 I161	E118-L125 HydrophobicContact CB-CD2 4.11Å; E118-L125 VanDerWaalsContact OE2-CD2 3.3Å; E118-L125 WeakPolarHBondContact OE2-CD2 3.36Å; E120-L125 HydrophobicContact CG-CD2 3.64Å; E120-L125 HydrophobicContact CG-CG 3.98Å; L125-I161 HydrophobicContact CD2-CD1 4.24Å
126	I	80.5	Confident	71.2	Confident	27 Å²	27	80.7 Å²	80.7	14%	0.138	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	118.5	172.8	-56.1	179.2	0	0	0	107.8	W119 K121 T124 Q128 H137 F139 L145 Y158	W119-I126 HydrophobicContact CB-CB 4.3Å; W119-I126 HydrophobicContact CB-CD1 3.91Å; W119-I126 HydrophobicContact CB-CG1 4.36Å; W119-I126 WeakPolarHBondContact O-CB 3.3Å; W119-I126 PolarHBondContact O-N 2.61Å; K121-I126 HydrophobicContact CB-CD1 4.1Å; K121-I126 HydrophobicContact CB-CG1 4.2Å; T124-I126 PolarHBondContact O-N 2.86Å; I126-Q128 PolarHBondContact O-N 2.93Å; I126-H137 HydrophobicContact CG2-CB 4.07Å; I126-F139 HydrophobicContact CG2-CE1 4.26Å; I126-L145 HydrophobicContact CD1-CD2 4.13Å; I126-Y158 HydrophobicContact CD1-CD1 3.8Å; I126-Y158 HydrophobicContact CD1-CE1 3.63Å
127	A	71.2	Confident	71.2	Confident	88 Å²	88	77.9 Å²	77.9	73%	0.727	40%	0.399	S	S	*	.	P	Polyproline II helix	trans	-56.9	126.2	178.1	0	0	0	0	0	111.4	A129	A127-A129 PolarHBondContact O-N 2.85Å
128	Q	62.9	Low	71	Confident	94 Å²	94	78.7 Å²	78.7	44%	0.439	40%	0.402	S	S	.	.			trans	-68.7	112.5	177.9	-171	176.4	18.9	0	0	110.5	I126 K130 F139	I126-Q128 PolarHBondContact O-N 2.93Å; Q128-K130 PolarHBondContact O-N 2.81Å; Q128-F139 HydrophobicContact CB-CE1 4.39Å; Q128-F139 HydrophobicContact CB-CE2 3.93Å; Q128-F139 HydrophobicContact CB-CZ 3.55Å; Q128-F139 HydrophobicContact CG-CD2 4.36Å; Q128-F139 HydrophobicContact CG-CE2 3.56Å; Q128-F139 HydrophobicContact CG-CZ 3.68Å
129	A	52.9	Low	70.6	Confident	13 Å²	13	76.7 Å²	76.7	11%	0.107	39%	0.392	C	S	.	.			trans	-78.7	107.1	171.4	0	0	0	0	0	109.9	A127 H131 H135	A127-A129 PolarHBondContact O-N 2.85Å; A129-H131 PolarHBondContact O-N 2.85Å; A129-H135 HydrophobicContact CB-CB 3.47Å; A129-H135 VanDerWaalsContact CB-CB 3.47Å; A129-H135 WeakPolarHBondContact CB-CD2 3.31Å
130	K	51.7	Low	69.8	Low	184 Å²	184	78.1 Å²	78.1	80%	0.8	40%	0.401	S	S	*	.	S	Bend	trans	-61.9	-4.5	174	-68.4	-174.6	178	-179.1	0	113.9	Q128	Q128-K130 PolarHBondContact O-N 2.81Å
131	H	48.9	Very low	69	Low	136 Å²	136	82.7 Å²	82.7	63%	0.63	43%	0.427	S	S	*	.			trans	-135	131.5	-176.2	-60.6	-59.9	0	0	0	113.8	A129 S133	A129-H131 PolarHBondContact O-N 2.85Å; H131-S133 VanDerWaalsContact C-N 3.26Å; H131-S133 PolarHBondContact O-N 2.79Å
132	R	48.8	Very low	68.5	Low	174 Å²	174	85 Å²	85	66%	0.657	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.9	-11.7	-178.5	-73.5	-176.6	178.2	177.9	0.2	116	Y138 R148	R132-Y138 HydrophobicContact CG-CD2 4.49Å; R132-R148 PolarHBondContact O-NH1 2.86Å
133	S	45.3	Very low	68.4	Low	72 Å²	72	81.4 Å²	81.4	50%	0.503	42%	0.422	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.9	-23.4	-161.4	-40.3	0	0	0	0	115.3	H131	H131-S133 VanDerWaalsContact C-N 3.26Å; H131-S133 PolarHBondContact O-N 2.79Å
134	A	49.8	Very low	68.8	Low	74 Å²	74	73 Å²	73	61%	0.612	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.3	-15.6	-173.9	0	0	0	0	0	113.8
135	H	60.8	Low	69.3	Low	95 Å²	95	68.9 Å²	68.9	44%	0.44	36%	0.358	S	S	.	.			trans	-111.3	133.6	-172.2	-62.6	-81.5	0	0	0	111.6	A129 H137	A129-H135 HydrophobicContact CB-CB 3.47Å; A129-H135 VanDerWaalsContact CB-CB 3.47Å; A129-H135 WeakPolarHBondContact CB-CD2 3.31Å; H135-H137 VanDerWaalsContact C-N 3.32Å; H135-H137 WeakPolarHBondContact CB-O 3.38Å
136	R	71.5	Confident	69.8	Low	75 Å²	75	66.2 Å²	66.2	28%	0.283	34%	0.342	S	S	.	.	S	Bend	trans	-65.1	-38.2	176.5	-161.1	169.5	71.9	108.3	-3.3	111.8	I147 R148 S149 T151 D154	R136-I147 CarbonylContact O-C 3.57Å; R136-I147 VanDerWaalsContact O-CA 3.31Å; R136-I147 WeakPolarHBondContact O-CA 3.47Å; R136-R148 WeakPolarHBondContact CD-O 3.38Å; R136-R148 WeakPolarHBondContact CG-O 3.4Å; R136-R148 PolarHBondContact O-N 2.9Å; R136-S149 PolarHBondContact NH1-O 2.77Å; R136-T151 PolarHBondContact NH1-OG1 2.73Å; R136-T151 VanDerWaalsContact NH1-OG1 3.08Å; R136-T151 PolarHBondContact NH2-OG1 2.92Å; R136-D154 IonicContact CZ-OD1 2.66Å; R136-D154 IonicContact CZ-OD2 3.73Å; R136-D154 IonicContact NH1-OD1 3.64Å; R136-D154 IonicContact NH1-OD2 3.9Å; R136-D154 PolarHBondContact NH1-OD2 3Å; R136-D154 IonicContact NH2-OD1 3.35Å; R136-D154 PolarHBondContact NH2-OD1 2.9Å; R136-D154 IonicContact NH2-OD2 3.01Å; R136-D154 PolarHBondContact NH2-OD2 3.45Å; R136-D154 VanDerWaalsContact NH2-OD2 3.12Å
137	H	76.8	Confident	70.2	Confident	33 Å²	33	65 Å²	65	15%	0.153	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	123.8	171.2	-59.3	79.9	0	0	0	108.5	I126 H135 F146 D154	I126-H137 HydrophobicContact CG2-CB 4.07Å; H135-H137 VanDerWaalsContact C-N 3.32Å; H135-H137 WeakPolarHBondContact CB-O 3.38Å; H137-F146 WeakPolarHBondContact CA-O 3.27Å; H137-D154 IonicContact CE1-OD1 2.63Å; H137-D154 PolarHBondContact CE1-OD1 2.92Å; H137-D154 VanDerWaalsContact CE1-OD1 3.29Å; H137-D154 IonicContact NE2-OD1 2.68Å; H137-D154 PolarHBondContact NE2-OD1 3.4Å
138	Y	80.3	Confident	70.9	Confident	27 Å²	27	65.2 Å²	65.2	11%	0.106	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	144.1	171.8	73.8	-89.9	0	0	0	110.3	R132 P140 F146 R148	R132-Y138 HydrophobicContact CG-CD2 4.49Å; Y138-P140 HydrophobicContact CE2-CG 4.49Å; Y138-F146 HydrophobicContact CD1-CB 3.81Å; Y138-F146 HydrophobicContact CD2-CB 4.18Å; Y138-F146 AromaticContact CD2-CD2 3.88Å; Y138-F146 HydrophobicContact CD2-CD2 3.88Å; Y138-F146 HydrophobicContact CD2-CG 4.37Å; Y138-F146 HydrophobicContact CE1-CB 3.34Å; Y138-F146 HydrophobicContact CE1-CD2 4.43Å; Y138-F146 AromaticContact CE1-CG 3.99Å; Y138-F146 HydrophobicContact CE1-CG 3.99Å; Y138-F146 HydrophobicContact CE2-CB 3.73Å; Y138-F146 AromaticContact CE2-CD2 3.22Å; Y138-F146 HydrophobicContact CE2-CD2 3.22Å; Y138-F146 AromaticContact CE2-CE2 3.83Å; Y138-F146 HydrophobicContact CE2-CE2 3.83Å; Y138-F146 AromaticContact CE2-CG 3.6Å; Y138-F146 HydrophobicContact CE2-CG 3.6Å; Y138-F146 HydrophobicContact CG-CB 4.21Å; Y138-F146 AromaticContact CZ-CD2 3.55Å; Y138-F146 AromaticContact CZ-CG 3.37Å; Y138-F146 PolarHBondContact N-O 2.85Å; Y138-F146 PolarHBondContact O-N 2.86Å; Y138-F146 WeakPolarHBondContact OH-CD1 3.34Å; Y138-F146 VanDerWaalsContact OH-CG 3.3Å; Y138-F146 WeakPolarHBondContact OH-CG 3.31Å; Y138-R148 HydrophobicContact CE1-CG 4.26Å
139	F	80.3	Confident	71.8	Confident	8 Å²	8	64 Å²	64	4%	0.035	32%	0.32	C	S	.	.			trans	-137.3	117.1	175.3	49.5	-87.6	0	0	0	109.4	I117 W119 I126 Q128 T144 L145	I117-F139 VanDerWaalsContact O-CE2 3.31Å; I117-F139 WeakPolarHBondContact O-CE2 3.38Å; W119-F139 HydrophobicContact CB-CE1 4.46Å; W119-F139 AromaticContact CD1-CD1 3.91Å; W119-F139 AromaticContact CD1-CD2 3.94Å; W119-F139 AromaticContact CD1-CG 3.67Å; I126-F139 HydrophobicContact CG2-CE1 4.26Å; Q128-F139 HydrophobicContact CB-CE1 4.39Å; Q128-F139 HydrophobicContact CB-CE2 3.93Å; Q128-F139 HydrophobicContact CB-CZ 3.55Å; Q128-F139 HydrophobicContact CG-CD2 4.36Å; Q128-F139 HydrophobicContact CG-CE2 3.56Å; Q128-F139 HydrophobicContact CG-CZ 3.68Å; F139-T144 VanDerWaalsContact CA-O 3.22Å; F139-T144 WeakPolarHBondContact CA-O 3.16Å; F139-T144 WeakPolarHBondContact CB-O 3.3Å; F139-L145 HydrophobicContact CB-CB 4.5Å; F139-L145 HydrophobicContact CB-CD1 4.31Å; F139-L145 HydrophobicContact CD1-CD1 3.9Å
140	P	74.1	Confident	73.4	Confident	29 Å²	29	63.4 Å²	63.4	19%	0.188	32%	0.315	C	S	.	.			trans	-68.8	171.4	172.9	-12.4	27.2	0	0	0	111.8	Y138 N142 G143 T144 F146	Y138-P140 HydrophobicContact CE2-CG 4.49Å; P140-N142 WeakPolarHBondContact CB-OD1 3.34Å; P140-N142 WeakPolarHBondContact CD-OD1 3.25Å; P140-N142 PolarHBondContact O-N 2.88Å; P140-N142 PolarHBondContact O-OD1 2.8Å; P140-G143 PolarHBondContact O-N 2.86Å; P140-T144 WeakPolarHBondContact CD-O 3.26Å; P140-F146 HydrophobicContact CG-CE2 4.18Å
141	D	74.3	Confident	74.8	Confident	136 Å²	136	56.7 Å²	56.7	73%	0.727	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-4.5	174.5	-54.3	-33.1	0	0	0	113.9	I117 G143	I117-D141 VanDerWaalsContact CD1-O 3.26Å; I117-D141 WeakPolarHBondContact CD1-O 3.34Å; D141-G143 VanDerWaalsContact C-N 3.25Å
142	N	78.4	Confident	76.2	Confident	82 Å²	82	53.2 Å²	53.2	44%	0.439	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-3.1	171.1	76	-14.1	0	0	0	113.6	C105 P140 T144	C105-N142 VanDerWaalsContact O-O 3.11Å; P140-N142 WeakPolarHBondContact CB-OD1 3.34Å; P140-N142 WeakPolarHBondContact CD-OD1 3.25Å; P140-N142 PolarHBondContact O-N 2.88Å; P140-N142 PolarHBondContact O-OD1 2.8Å; N142-T144 VanDerWaalsContact C-N 3.31Å; N142-T144 PolarHBondContact ND2-OG1 3Å; N142-T144 PolarHBondContact O-N 3.39Å; N142-T144 PolarHBondContact OD1-N 3.12Å
143	G	84.2	Confident	77.8	Confident	0 Å²	0	48.5 Å²	48.5	0%	0	27%	0.271	C	S	.	.			trans	81.8	-6	177.2	0	0	0	0	0	116.3	C105 I117 W119 P140 D141 L145	C105-G143 WeakPolarHBondContact CB-O 3.34Å; C105-G143 CarbonylContact O-C 3.53Å; I117-G143 VanDerWaalsContact CD1-N 3.28Å; W119-G143 VanDerWaalsContact CZ2-O 3.31Å; W119-G143 WeakPolarHBondContact CZ2-O 3.37Å; W119-G143 PolarHBondContact NE1-O 3.09Å; P140-G143 PolarHBondContact O-N 2.86Å; D141-G143 VanDerWaalsContact C-N 3.25Å; G143-L145 PolarHBondContact O-N 3.04Å
144	T	89.5	Confident	79.7	Confident	4 Å²	4	45.1 Å²	45.1	3%	0.025	25%	0.248	C	C	.	.			trans	-74.8	122.7	179.7	-54.3	0	0	0	0	111.1	R102 M103 D104 F139 P140 N142 F146	R102-T144 HydrophobicContact CG-CG2 3.69Å; R102-T144 PolarHBondContact NH2-OG1 2.77Å; M103-T144 CarbonylContact O-C 3.6Å; M103-T144 WeakPolarHBondContact O-CA 3.4Å; M103-T144 WeakPolarHBondContact O-CG2 3.26Å; D104-T144 WeakPolarHBondContact OD1-CG2 3.25Å; F139-T144 VanDerWaalsContact CA-O 3.22Å; F139-T144 WeakPolarHBondContact CA-O 3.16Å; F139-T144 WeakPolarHBondContact CB-O 3.3Å; P140-T144 WeakPolarHBondContact CD-O 3.26Å; N142-T144 VanDerWaalsContact C-N 3.31Å; N142-T144 PolarHBondContact ND2-OG1 3Å; N142-T144 PolarHBondContact O-N 3.39Å; N142-T144 PolarHBondContact OD1-N 3.12Å; T144-F146 HydrophobicContact CG2-CD2 3.99Å; T144-F146 HydrophobicContact CG2-CE1 4.24Å; T144-F146 HydrophobicContact CG2-CE2 3.53Å; T144-F146 HydrophobicContact CG2-CZ 3.7Å; T144-F146 WeakPolarHBondContact O-CD2 3.46Å
145	L	92.4	Very high	81.4	Confident	0 Å²	0	43.4 Å²	43.4	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	129.4	169.6	176.5	67.2	0	0	0	110.9	R102 M103 W119 I126 F139 G143 I147 Y158	R102-L145 CarbonylContact C-O 3.54Å; R102-L145 WeakPolarHBondContact CA-O 3.43Å; M103-L145 HydrophobicContact CB-CB 4.31Å; M103-L145 PolarHBondContact N-O 2.86Å; M103-L145 PolarHBondContact O-N 2.85Å; M103-L145 HydrophobicContact SD-CD2 4.46Å; W119-L145 HydrophobicContact CD2-CB 3.77Å; W119-L145 HydrophobicContact CD2-CD2 3.89Å; W119-L145 HydrophobicContact CD2-CG 4.36Å; W119-L145 VanDerWaalsContact CE2-CB 3.45Å; W119-L145 HydrophobicContact CE3-CB 4.26Å; W119-L145 HydrophobicContact CE3-CD2 3.8Å; W119-L145 HydrophobicContact CG-CB 4.2Å; W119-L145 HydrophobicContact CG-CD2 4.25Å; W119-L145 HydrophobicContact CH2-CB 4.13Å; W119-L145 HydrophobicContact CZ2-CB 3.64Å; W119-L145 HydrophobicContact CZ3-CB 4.43Å; W119-L145 HydrophobicContact CZ3-CD2 4.25Å; I126-L145 HydrophobicContact CD1-CD2 4.13Å; F139-L145 HydrophobicContact CB-CB 4.5Å; F139-L145 HydrophobicContact CB-CD1 4.31Å; F139-L145 HydrophobicContact CD1-CD1 3.9Å; G143-L145 PolarHBondContact O-N 3.04Å; L145-I147 HydrophobicContact CD2-CD1 4.29Å; L145-I147 HydrophobicContact CD2-CG1 4.36Å; L145-I147 HydrophobicContact CG-CG1 4.18Å; L145-Y158 HydrophobicContact CD2-CD1 3.44Å; L145-Y158 VanDerWaalsContact CD2-CD1 3.44Å; L145-Y158 HydrophobicContact CD2-CE1 3.77Å; L145-Y158 HydrophobicContact CD2-CG 4.37Å
146	F	90.8	Very high	82.9	Confident	40 Å²	40	39.4 Å²	39.4	18%	0.175	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	133.9	171.4	-63.5	-92.3	0	0	0	109.8	A101 R102 H137 Y138 P140 T144	A101-F146 WeakPolarHBondContact O-CA 3.45Å; R102-F146 HydrophobicContact CB-CD1 4.35Å; R102-F146 HydrophobicContact CG-CD1 4.22Å; R102-F146 HydrophobicContact CG-CE1 4.01Å; H137-F146 WeakPolarHBondContact CA-O 3.27Å; Y138-F146 HydrophobicContact CD1-CB 3.81Å; Y138-F146 HydrophobicContact CD2-CB 4.18Å; Y138-F146 AromaticContact CD2-CD2 3.88Å; Y138-F146 HydrophobicContact CD2-CD2 3.88Å; Y138-F146 HydrophobicContact CD2-CG 4.37Å; Y138-F146 HydrophobicContact CE1-CB 3.34Å; Y138-F146 HydrophobicContact CE1-CD2 4.43Å; Y138-F146 AromaticContact CE1-CG 3.99Å; Y138-F146 HydrophobicContact CE1-CG 3.99Å; Y138-F146 HydrophobicContact CE2-CB 3.73Å; Y138-F146 AromaticContact CE2-CD2 3.22Å; Y138-F146 HydrophobicContact CE2-CD2 3.22Å; Y138-F146 AromaticContact CE2-CE2 3.83Å; Y138-F146 HydrophobicContact CE2-CE2 3.83Å; Y138-F146 AromaticContact CE2-CG 3.6Å; Y138-F146 HydrophobicContact CE2-CG 3.6Å; Y138-F146 HydrophobicContact CG-CB 4.21Å; Y138-F146 AromaticContact CZ-CD2 3.55Å; Y138-F146 AromaticContact CZ-CG 3.37Å; Y138-F146 PolarHBondContact N-O 2.85Å; Y138-F146 PolarHBondContact O-N 2.86Å; Y138-F146 WeakPolarHBondContact OH-CD1 3.34Å; Y138-F146 VanDerWaalsContact OH-CG 3.3Å; Y138-F146 WeakPolarHBondContact OH-CG 3.31Å; P140-F146 HydrophobicContact CG-CE2 4.18Å; T144-F146 HydrophobicContact CG2-CD2 3.99Å; T144-F146 HydrophobicContact CG2-CE1 4.24Å; T144-F146 HydrophobicContact CG2-CE2 3.53Å; T144-F146 HydrophobicContact CG2-CZ 3.7Å; T144-F146 WeakPolarHBondContact O-CD2 3.46Å
147	I	89.7	Confident	84	Confident	2 Å²	2	40.1 Å²	40.1	1%	0.01	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	109.2	174.6	-47.1	178.9	0	0	0	107	D100 A101 R136 L145 V150 Y158 L177	D100-I147 CarbonylContact C-O 3.42Å; D100-I147 VanDerWaalsContact CA-O 3.31Å; D100-I147 WeakPolarHBondContact CA-O 3.5Å; A101-I147 HydrophobicContact CB-CB 4.25Å; A101-I147 PolarHBondContact N-O 2.94Å; A101-I147 PolarHBondContact O-N 2.78Å; R136-I147 CarbonylContact O-C 3.57Å; R136-I147 VanDerWaalsContact O-CA 3.31Å; R136-I147 WeakPolarHBondContact O-CA 3.47Å; L145-I147 HydrophobicContact CD2-CD1 4.29Å; L145-I147 HydrophobicContact CD2-CG1 4.36Å; L145-I147 HydrophobicContact CG-CG1 4.18Å; I147-V150 HydrophobicContact CB-CG2 4.09Å; I147-V150 HydrophobicContact CG2-CG2 3.88Å; I147-Y158 HydrophobicContact CD1-CE1 3.85Å; I147-Y158 HydrophobicContact CD1-CE2 4.48Å; I147-L177 HydrophobicContact CD1-CD2 3.78Å
148	R	86.3	Confident	84.9	Confident	91 Å²	91	38.6 Å²	38.6	34%	0.343	22%	0.217	S	C	.	.	S	Bend	trans	-81.9	146.4	176.3	-70.1	-172.9	178.9	145.2	9.4	111.1	D100 R132 R136 Y138 V150	D100-R148 WeakPolarHBondContact OD1-CA 3.1Å; R132-R148 PolarHBondContact O-NH1 2.86Å; R136-R148 WeakPolarHBondContact CD-O 3.38Å; R136-R148 WeakPolarHBondContact CG-O 3.4Å; R136-R148 PolarHBondContact O-N 2.9Å; Y138-R148 HydrophobicContact CE1-CG 4.26Å; R148-V150 PolarHBondContact O-N 2.85Å
149	S	81.4	Confident	85.6	Confident	70 Å²	70	38.3 Å²	38.3	49%	0.49	22%	0.218	S	C	.	.	S	Bend	trans	44.9	63.9	174.5	-55.5	0	0	0	0	112.3	S99 D100 R136	S99-S149 PolarHBondContact O-N 3.11Å; D100-S149 PolarHBondContact OD1-N 2.73Å; R136-S149 PolarHBondContact NH1-O 2.77Å
150	V	85.7	Confident	86.2	Confident	0 Å²	0	38 Å²	38	0%	0	22%	0.217	C	C	.	.			trans	-57.5	139.5	-174.6	172.1	0	0	0	0	111.1	V95 E97 G98 S99 A101 I147 R148 D154 V179	V95-V150 HydrophobicContact CG2-CB 4.32Å; V95-V150 HydrophobicContact CG2-CG1 3.88Å; V95-V150 HydrophobicContact CG2-CG2 4.27Å; E97-V150 CarbonylContact C-O 3.54Å; E97-V150 WeakPolarHBondContact CA-O 3.45Å; G98-V150 PolarHBondContact N-O 2.88Å; S99-V150 WeakPolarHBondContact O-CB 3.19Å; S99-V150 VanDerWaalsContact O-CG2 3.25Å; S99-V150 WeakPolarHBondContact O-CG2 3.44Å; S99-V150 PolarHBondContact O-N 3.13Å; A101-V150 HydrophobicContact CB-CG2 3.7Å; I147-V150 HydrophobicContact CB-CG2 4.09Å; I147-V150 HydrophobicContact CG2-CG2 3.88Å; R148-V150 PolarHBondContact O-N 2.85Å; V150-D154 WeakPolarHBondContact CA-OD2 3.05Å; V150-D154 HydrophobicContact CG1-CB 4.1Å; V150-V179 HydrophobicContact CG1-CB 4.32Å; V150-V179 HydrophobicContact CG1-CG1 3.88Å; V150-V179 HydrophobicContact CG1-CG2 3.43Å; V150-V179 VanDerWaalsContact CG1-CG2 3.43Å
151	T	81.1	Confident	87	Confident	43 Å²	43	36.6 Å²	36.6	26%	0.264	21%	0.208	S	C	.	.			trans	-116.8	161.5	177.2	55.6	0	0	0	0	109.9	R136 S153 D154	R136-T151 PolarHBondContact NH1-OG1 2.73Å; R136-T151 VanDerWaalsContact NH1-OG1 3.08Å; R136-T151 PolarHBondContact NH2-OG1 2.92Å; T151-S153 PolarHBondContact O-N 2.77Å; T151-S153 VanDerWaalsContact O-N 3.11Å; T151-S153 PolarHBondContact OG1-OG 2.99Å; T151-D154 PolarHBondContact N-OD2 2.82Å; T151-D154 WeakPolarHBondContact O-CB 3.29Å; T151-D154 PolarHBondContact O-N 3.14Å; T151-D154 PolarHBondContact OG1-OD2 2.94Å
152	V	77.9	Confident	87.7	Confident	62 Å²	62	30.1 Å²	30.1	38%	0.376	17%	0.173	S	C	.	.	G	3₁₀ helix	trans	-56.1	-31.8	178.3	-175.8	0	0	0	0	112.2	D154 A155 E181	V152-D154 PolarHBondContact O-N 3.1Å; V152-A155 VanDerWaalsContact O-CB 3.23Å; V152-A155 WeakPolarHBondContact O-CB 3.26Å; V152-A155 PolarHBondContact O-N 2.9Å; V152-A155 VanDerWaalsContact O-N 3.15Å; V152-E181 HydrophobicContact CG2-CB 3.92Å; V152-E181 HydrophobicContact CG2-CG 3.84Å
153	S	82.8	Confident	87.7	Confident	76 Å²	76	29 Å²	29	53%	0.531	16%	0.164	S	C	.	.	G	3₁₀ helix	trans	-68.8	-14.5	175.8	55	0	0	0	0	115.3	K121 T151 A155	K121-S153 VanDerWaalsContact CE-O 3.24Å; K121-S153 WeakPolarHBondContact CE-O 3.4Å; K121-S153 PolarHBondContact NZ-O 3.22Å; T151-S153 PolarHBondContact O-N 2.77Å; T151-S153 VanDerWaalsContact O-N 3.11Å; T151-S153 PolarHBondContact OG1-OG 2.99Å; S153-A155 VanDerWaalsContact C-N 3.29Å
154	D	85.3	Confident	87.3	Confident	1 Å²	1	29.7 Å²	29.7	1%	0.005	17%	0.169	C	C	.	.	G	3₁₀ helix	trans	-79.5	-16.9	172.3	-60.8	-38.9	0	0	0	112.3	K121 R136 H137 V150 T151 V152 G156 Y158 L177	K121-D154 VanDerWaalsContact CE-C 3.48Å; K121-D154 WeakPolarHBondContact CE-O 3.38Å; R136-D154 IonicContact CZ-OD1 2.66Å; R136-D154 IonicContact CZ-OD2 3.73Å; R136-D154 IonicContact NH1-OD1 3.64Å; R136-D154 IonicContact NH1-OD2 3.9Å; R136-D154 PolarHBondContact NH1-OD2 3Å; R136-D154 IonicContact NH2-OD1 3.35Å; R136-D154 PolarHBondContact NH2-OD1 2.9Å; R136-D154 IonicContact NH2-OD2 3.01Å; R136-D154 PolarHBondContact NH2-OD2 3.45Å; R136-D154 VanDerWaalsContact NH2-OD2 3.12Å; H137-D154 IonicContact CE1-OD1 2.63Å; H137-D154 PolarHBondContact CE1-OD1 2.92Å; H137-D154 VanDerWaalsContact CE1-OD1 3.29Å; H137-D154 IonicContact NE2-OD1 2.68Å; H137-D154 PolarHBondContact NE2-OD1 3.4Å; V150-D154 WeakPolarHBondContact CA-OD2 3.05Å; V150-D154 HydrophobicContact CG1-CB 4.1Å; T151-D154 PolarHBondContact N-OD2 2.82Å; T151-D154 WeakPolarHBondContact O-CB 3.29Å; T151-D154 PolarHBondContact O-N 3.14Å; T151-D154 PolarHBondContact OG1-OD2 2.94Å; V152-D154 PolarHBondContact O-N 3.1Å; D154-G156 PolarHBondContact O-N 3.49Å; D154-Y158 WeakPolarHBondContact O-CE2 3.26Å; D154-Y158 PolarHBondContact O-OH 3.47Å; D154-L177 HydrophobicContact CB-CD2 3.95Å
155	A	85.3	Confident	86.2	Confident	38 Å²	38	37 Å²	37	31%	0.314	20%	0.202	S	C	.	.			trans	-56.1	136.7	173.7	0	0	0	0	0	109.5	K121 V152 S153 L177 V179	K121-A155 WeakPolarHBondContact CE-O 3.37Å; K121-A155 PolarHBondContact NZ-O 2.84Å; V152-A155 VanDerWaalsContact O-CB 3.23Å; V152-A155 WeakPolarHBondContact O-CB 3.26Å; V152-A155 PolarHBondContact O-N 2.9Å; V152-A155 VanDerWaalsContact O-N 3.15Å; S153-A155 VanDerWaalsContact C-N 3.29Å; A155-L177 VanDerWaalsContact CA-O 3.27Å; A155-L177 WeakPolarHBondContact CA-O 3.42Å; A155-V179 HydrophobicContact CB-CB 4.41Å; A155-V179 HydrophobicContact CB-CG2 3.99Å
156	G	92.2	Very high	84.8	Confident	10 Å²	10	40 Å²	40	10%	0.103	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	153.4	179.7	-172.7	0	0	0	0	0	112.1	D122 D154 L177	D122-G156 WeakPolarHBondContact OD1-CA 3.43Å; D154-G156 PolarHBondContact O-N 3.49Å; G156-L177 PolarHBondContact N-O 3.38Å; G156-L177 PolarHBondContact O-N 3.29Å
157	E	95.1	Very high	83.3	Confident	91 Å²	91	46.4 Å²	46.4	43%	0.425	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	125.6	-179.2	-169.3	172	108.3	0	0	110.3	K121 D122 P174	K121-E157 CarbonylContact C-O 3.54Å; K121-E157 WeakPolarHBondContact CA-O 3.19Å; D122-E157 PolarHBondContact N-O 3.41Å; D122-E157 PolarHBondContact OD1-N 2.92Å; E157-P174 HydrophobicContact CG-CB 3.34Å; E157-P174 HydrophobicContact CG-CG 4.49Å; E157-P174 WeakPolarHBondContact OE1-CB 3.18Å
158	Y	95.2	Very high	82.5	Confident	0 Å²	0	51 Å²	51	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	132.7	-179.1	-70.6	-100.9	0	0	0	111.3	M103 E120 K121 I126 L145 I147 D154 A175 L177	M103-Y158 HydrophobicContact CE-CD2 3.65Å; M103-Y158 HydrophobicContact CE-CE2 4.29Å; M103-Y158 HydrophobicContact CE-CG 4Å; M103-Y158 WeakPolarHBondContact SD-CB 3.48Å; M103-Y158 HydrophobicContact SD-CD1 4.33Å; M103-Y158 HydrophobicContact SD-CD2 4.01Å; M103-Y158 HydrophobicContact SD-CG 3.7Å; E120-Y158 VanDerWaalsContact O-CA 3.28Å; E120-Y158 WeakPolarHBondContact O-CA 3.35Å; K121-Y158 HydrophobicContact CB-CD1 4.14Å; K121-Y158 HydrophobicContact CB-CE1 3.84Å; K121-Y158 HydrophobicContact CD-CE1 4.21Å; K121-Y158 HydrophobicContact CD-CE2 4.4Å; K121-Y158 WeakPolarHBondContact CD-OH 3.31Å; K121-Y158 WeakPolarHBondContact CE-OH 3.03Å; K121-Y158 HydrophobicContact CG-CE1 4Å; K121-Y158 HydrophobicContact CG-CE2 4.11Å; I126-Y158 HydrophobicContact CD1-CD1 3.8Å; I126-Y158 HydrophobicContact CD1-CE1 3.63Å; L145-Y158 HydrophobicContact CD2-CD1 3.44Å; L145-Y158 VanDerWaalsContact CD2-CD1 3.44Å; L145-Y158 HydrophobicContact CD2-CE1 3.77Å; L145-Y158 HydrophobicContact CD2-CG 4.37Å; I147-Y158 HydrophobicContact CD1-CE1 3.85Å; I147-Y158 HydrophobicContact CD1-CE2 4.48Å; D154-Y158 WeakPolarHBondContact O-CE2 3.26Å; D154-Y158 PolarHBondContact O-OH 3.47Å; Y158-A175 PolarHBondContact N-O 2.94Å; Y158-A175 PolarHBondContact O-N 2.91Å; Y158-L177 HydrophobicContact CD2-CB 3.98Å; Y158-L177 HydrophobicContact CE2-CB 3.67Å; Y158-L177 HydrophobicContact CE2-CD2 3.8Å; Y158-L177 HydrophobicContact CE2-CG 4.39Å
159	T	95.5	Very high	82.3	Confident	22 Å²	22	49.2 Å²	49.2	14%	0.135	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	128.8	179.7	-57.8	0	0	0	0	109.7	W119 E120 Y171	W119-T159 WeakPolarHBondContact CA-O 3.36Å; E120-T159 PolarHBondContact N-O 3.46Å; E120-T159 PolarHBondContact O-N 3.34Å; T159-Y171 HydrophobicContact CG2-CD1 4.16Å
160	C	93.9	Very high	82.6	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	135.4	174.4	172.6	0	0	0	0	109.6	C105 W119 S172	C105-C160 HydrophobicContact CB-CB 3.56Å; C105-C160 WeakPolarHBondContact CB-SG 3.49Å; C105-C160 WeakPolarHBondContact SG-CB 3.28Å; C105-C160 CovalentContact SG-SG 2.04Å; C105-C160 PolarHBondContact SG-SG 3.36Å; W119-C160 HydrophobicContact CD2-CB 4.14Å; W119-C160 HydrophobicContact CE3-CB 4.2Å; W119-C160 HydrophobicContact CH2-CB 3.88Å; W119-C160 HydrophobicContact CZ2-CB 3.78Å; W119-C160 HydrophobicContact CZ3-CB 4.07Å; C160-S172 PolarHBondContact N-OG 2.97Å; C160-S172 PolarHBondContact O-N 3.49Å
161	I	90.7	Very high	82.9	Confident	1 Å²	1	53.8 Å²	53.8	1%	0.005	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	121.1	-177.2	-55.6	174.7	0	0	0	108.5	I117 E118 E120 L125 K163 V169 Y171	I117-I161 WeakPolarHBondContact CA-O 3.43Å; E118-I161 HydrophobicContact CB-CB 4.25Å; E118-I161 PolarHBondContact N-O 2.89Å; E118-I161 PolarHBondContact O-N 3.43Å; E120-I161 HydrophobicContact CB-CD1 4.37Å; E120-I161 HydrophobicContact CG-CD1 3.54Å; E120-I161 VanDerWaalsContact OE1-CD1 3.26Å; E120-I161 WeakPolarHBondContact OE1-CD1 3.4Å; L125-I161 HydrophobicContact CD2-CD1 4.24Å; I161-K163 HydrophobicContact CG2-CG 4.02Å; I161-V169 HydrophobicContact CG2-CG1 3.41Å; I161-V169 VanDerWaalsContact CG2-CG1 3.41Å; I161-Y171 HydrophobicContact CD1-CD1 4.05Å; I161-Y171 HydrophobicContact CD1-CE1 3.65Å; I161-Y171 HydrophobicContact CG1-CD1 3.68Å; I161-Y171 HydrophobicContact CG1-CE1 3.77Å; I161-Y171 HydrophobicContact CG2-CE1 4.27Å
162	V	87.6	Confident	83.5	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	118.5	176.5	-175.4	0	0	0	0	108.5	P84 I86 F107 T115 V170	P84-V162 HydrophobicContact CB-CG1 3.82Å; P84-V162 HydrophobicContact CG-CG1 4.14Å; I86-V162 HydrophobicContact CD1-CG2 4.21Å; I86-V162 HydrophobicContact CG1-CG2 4Å; F107-V162 HydrophobicContact CB-CG1 4.42Å; F107-V162 HydrophobicContact CB-CG2 3.96Å; F107-V162 HydrophobicContact CD1-CG2 4.23Å; F107-V162 HydrophobicContact CD2-CG1 3.86Å; F107-V162 HydrophobicContact CE2-CG1 4.42Å; F107-V162 HydrophobicContact CG-CG1 4.09Å; F107-V162 HydrophobicContact CG-CG2 3.97Å; T115-V162 HydrophobicContact CG2-CG1 4.44Å; V162-V170 PolarHBondContact N-O 3.31Å; V162-V170 PolarHBondContact O-N 2.93Å
163	K	79.7	Confident	84.4	Confident	58 Å²	58	55.2 Å²	55.2	25%	0.252	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	130.4	178.4	-59.2	-176.9	-179.2	166.8	0	109.8	T115 L116 E118 I161 V169	T115-K163 CarbonylContact C-O 3.53Å; T115-K163 WeakPolarHBondContact CA-O 3.39Å; L116-K163 HydrophobicContact CB-CB 4.4Å; L116-K163 PolarHBondContact N-O 2.91Å; L116-K163 PolarHBondContact O-N 3.48Å; E118-K163 IonicContact OE1-NZ 3.75Å; E118-K163 PolarHBondContact OE1-NZ 3.28Å; E118-K163 WeakPolarHBondContact OE2-CE 3.37Å; E118-K163 IonicContact OE2-NZ 3.55Å; E118-K163 PolarHBondContact OE2-NZ 2.92Å; I161-K163 HydrophobicContact CG2-CG 4.02Å; K163-V169 HydrophobicContact CD-CG2 4.49Å; K163-V169 HydrophobicContact CG-CG1 4.14Å; K163-V169 HydrophobicContact CG-CG2 4.09Å
164	T	74.5	Confident	84.9	Confident	15 Å²	15	54.8 Å²	54.8	9%	0.092	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	154.4	163.2	52	0	0	0	0	110.3	P84 T115 E166 Q167 H168	P84-T164 HydrophobicContact CB-CG2 4.28Å; P84-T164 HydrophobicContact CG-CG2 3.9Å; T115-T164 HydrophobicContact CG2-CG2 3.8Å; T164-E166 PolarHBondContact O-N 3.3Å; T164-Q167 PolarHBondContact O-N 3.39Å; T164-H168 PolarHBondContact N-O 2.93Å; T164-H168 VanDerWaalsContact N-O 3.15Å; T164-H168 PolarHBondContact OG1-O 3.05Å
165	H	68	Low	85.5	Confident	157 Å²	157	54.8 Å²	54.8	73%	0.727	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.1	-23.8	174.2	-167.2	-90.1	0	0	0	113.3	P113 V114 Q167	P113-H165 HydrophobicContact CB-CB 3.81Å; V114-H165 PolarHBondContact O-N 3.44Å; H165-Q167 PolarHBondContact O-N 3.31Å; H165-Q167 VanDerWaalsContact O-N 3.12Å
166	E	61.8	Low	86.1	Confident	62 Å²	62	55.9 Å²	55.9	29%	0.29	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.1	20.6	172.3	-68.7	179.7	-147.6	0	0	114.2	V3 S5 S81 P113 T164 H168	V3-E166 WeakPolarHBondContact CG1-OE1 3.44Å; S5-E166 PolarHBondContact OG-OE2 3.35Å; S81-E166 WeakPolarHBondContact CB-OE1 3.23Å; S81-E166 VanDerWaalsContact OG-CD 3.22Å; S81-E166 PolarHBondContact OG-OE1 3.47Å; S81-E166 PolarHBondContact OG-OE2 2.95Å; P113-E166 HydrophobicContact CG-CG 4.2Å; T164-E166 PolarHBondContact O-N 3.3Å; E166-H168 PolarHBondContact O-N 3.49Å
167	Q	60.2	Low	86.3	Confident	176 Å²	176	55.5 Å²	55.5	82%	0.822	27%	0.27	S	S	*	.			trans	58.3	6.4	178.6	-61.6	-170.7	-17.3	0	0	116.3	T164 H165 V169	T164-Q167 PolarHBondContact O-N 3.39Å; H165-Q167 PolarHBondContact O-N 3.31Å; H165-Q167 VanDerWaalsContact O-N 3.12Å; Q167-V169 WeakPolarHBondContact O-CG2 3.46Å; Q167-V169 PolarHBondContact O-N 2.97Å
168	H	72.1	Confident	86.3	Confident	99 Å²	99	58.1 Å²	58.1	46%	0.458	28%	0.276	S	S	.	.			trans	-71	118.8	171.1	-144.7	80.5	0	0	0	109.7	T164 E166	T164-H168 PolarHBondContact N-O 2.93Å; T164-H168 VanDerWaalsContact N-O 3.15Å; T164-H168 PolarHBondContact OG1-O 3.05Å; E166-H168 PolarHBondContact O-N 3.49Å
169	V	81.2	Confident	86.2	Confident	53 Å²	53	59.3 Å²	59.3	32%	0.321	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	126.2	-177.9	-172.3	0	0	0	0	109.2	I161 K163 Q167 Y171	I161-V169 HydrophobicContact CG2-CG1 3.41Å; I161-V169 VanDerWaalsContact CG2-CG1 3.41Å; K163-V169 HydrophobicContact CD-CG2 4.49Å; K163-V169 HydrophobicContact CG-CG1 4.14Å; K163-V169 HydrophobicContact CG-CG2 4.09Å; Q167-V169 WeakPolarHBondContact O-CG2 3.46Å; Q167-V169 PolarHBondContact O-N 2.97Å; V169-Y171 HydrophobicContact CB-CE2 4.35Å; V169-Y171 HydrophobicContact CG1-CD2 4.31Å; V169-Y171 HydrophobicContact CG1-CE1 4.47Å; V169-Y171 HydrophobicContact CG1-CE2 3.64Å
170	V	88	Confident	86.1	Confident	35 Å²	35	64 Å²	64	21%	0.212	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	130.8	175.8	-178.3	0	0	0	0	109.4	P84 I86 V162	P84-V170 HydrophobicContact CG-CB 4.47Å; P84-V170 HydrophobicContact CG-CG2 3.86Å; I86-V170 HydrophobicContact CD1-CG1 3.88Å; I86-V170 HydrophobicContact CG1-CG1 4.03Å; V162-V170 PolarHBondContact N-O 3.31Å; V162-V170 PolarHBondContact O-N 2.93Å
171	Y	92.7	Very high	85.9	Confident	130 Å²	130	66.5 Å²	66.5	51%	0.51	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	140.6	179.6	-61.7	-96.1	0	0	0	110.1	I86 T159 I161 V169	I86-Y171 VanDerWaalsContact CD1-C 3.47Å; T159-Y171 HydrophobicContact CG2-CD1 4.16Å; I161-Y171 HydrophobicContact CD1-CD1 4.05Å; I161-Y171 HydrophobicContact CD1-CE1 3.65Å; I161-Y171 HydrophobicContact CG1-CD1 3.68Å; I161-Y171 HydrophobicContact CG1-CE1 3.77Å; I161-Y171 HydrophobicContact CG2-CE1 4.27Å; V169-Y171 HydrophobicContact CB-CE2 4.35Å; V169-Y171 HydrophobicContact CG1-CD2 4.31Å; V169-Y171 HydrophobicContact CG1-CE1 4.47Å; V169-Y171 HydrophobicContact CG1-CE2 3.64Å
172	S	94.5	Very high	85.9	Confident	9 Å²	9	71.7 Å²	71.7	6%	0.063	33%	0.33	C	S	.	.	P	Polyproline II helix	trans	-72.8	166.8	170.8	74.7	0	0	0	0	111.4	I86 P90 C160	I86-S172 VanDerWaalsContact CD1-N 3.31Å; P90-S172 WeakPolarHBondContact CD-OG 3.31Å; C160-S172 PolarHBondContact N-OG 2.97Å; C160-S172 PolarHBondContact O-N 3.49Å
173	Q	95.3	Very high	86.1	Confident	127 Å²	127	72.8 Å²	72.8	59%	0.593	34%	0.335	S	S	*	.	P	Polyproline II helix	trans	-59.8	145.3	157.5	-65.5	-177.3	-17.8	0	0	109.7	H89	H89-Q173 HydrophobicContact CB-CB 4.16Å; H89-Q173 PolarHBondContact ND1-N 2.85Å
174	P	95	Very high	86.4	Confident	67 Å²	67	73 Å²	73	44%	0.435	34%	0.336	S	S	.	.	P	Polyproline II helix	trans	-71.3	142.6	178.1	25.4	-31.5	0	0	0	112.2	E157	E157-P174 HydrophobicContact CG-CB 3.34Å; E157-P174 HydrophobicContact CG-CG 4.49Å; E157-P174 WeakPolarHBondContact OE1-CB 3.18Å
175	A	97.2	Very high	86.8	Confident	0 Å²	0	73.3 Å²	73.3	0%	0	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	125.5	173.2	0	0	0	0	0	111.1	P90 M103 Y158	P90-A175 HydrophobicContact CB-CB 3.67Å; P90-A175 HydrophobicContact CG-CB 3.83Å; M103-A175 HydrophobicContact CE-CB 4.46Å; M103-A175 HydrophobicContact SD-CB 4.38Å; Y158-A175 PolarHBondContact N-O 2.94Å; Y158-A175 PolarHBondContact O-N 2.91Å
176	L	96.6	Very high	87.4	Confident	62 Å²	62	68.4 Å²	68.4	33%	0.325	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	118.6	179.3	-176.3	66.4	0	0	0	110.7	S92 L93 R178	S92-L176 CarbonylContact C-O 3.58Å; S92-L176 VanDerWaalsContact CA-O 3.24Å; S92-L176 WeakPolarHBondContact CA-O 3.02Å; S92-L176 WeakPolarHBondContact CB-O 2.95Å; S92-L176 PolarHBondContact OG-N 2.75Å; L93-L176 PolarHBondContact N-O 2.97Å; L176-R178 HydrophobicContact CD2-CG 4.11Å; L176-R178 HydrophobicContact CG-CG 4.17Å
177	L	96.8	Very high	88	Confident	1 Å²	1	68.8 Å²	68.8	1%	0.005	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	115.9	167.8	-174.1	56.1	0	0	0	109.7	L93 V95 A101 M103 I147 D154 A155 G156 Y158 V179	L93-L177 HydrophobicContact CD1-CD1 3.25Å; L93-L177 HydrophobicContact CD2-CD1 4.3Å; L93-L177 HydrophobicContact CG-CD1 3.6Å; V95-L177 HydrophobicContact CG2-CD1 3.64Å; A101-L177 HydrophobicContact CB-CD1 4.14Å; M103-L177 HydrophobicContact CE-CB 3.66Å; M103-L177 HydrophobicContact CE-CD1 4.18Å; M103-L177 HydrophobicContact CE-CD2 4.44Å; M103-L177 HydrophobicContact CE-CG 4.32Å; I147-L177 HydrophobicContact CD1-CD2 3.78Å; D154-L177 HydrophobicContact CB-CD2 3.95Å; A155-L177 VanDerWaalsContact CA-O 3.27Å; A155-L177 WeakPolarHBondContact CA-O 3.42Å; G156-L177 PolarHBondContact N-O 3.38Å; G156-L177 PolarHBondContact O-N 3.29Å; Y158-L177 HydrophobicContact CD2-CB 3.98Å; Y158-L177 HydrophobicContact CE2-CB 3.67Å; Y158-L177 HydrophobicContact CE2-CD2 3.8Å; Y158-L177 HydrophobicContact CE2-CG 4.39Å; L177-V179 HydrophobicContact CG-CG2 4.19Å
178	R	95	Very high	88.8	Confident	147 Å²	147	68.6 Å²	68.6	56%	0.555	32%	0.319	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.6	134.9	169.4	-65.5	-177.8	-177.8	150.2	2.2	109.4	L93 E94 V95 L176	L93-R178 PolarHBondContact O-N 3.47Å; E94-R178 VanDerWaalsContact CA-O 3.3Å; E94-R178 WeakPolarHBondContact CA-O 3.26Å; E94-R178 HydrophobicContact CB-CB 4.11Å; E94-R178 HydrophobicContact CG-CB 3.93Å; V95-R178 PolarHBondContact N-O 2.94Å; L176-R178 HydrophobicContact CD2-CG 4.11Å; L176-R178 HydrophobicContact CG-CG 4.17Å
179	V	94	Very high	89.1	Confident	24 Å²	24	64.2 Å²	64.2	15%	0.145	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	119	-179.9	-175	0	0	0	0	109.5	V95 E97 V150 A155 L177 E181	V95-V179 HydrophobicContact CG2-CG2 4.38Å; V95-V179 CarbonylContact O-C 3.53Å; V95-V179 WeakPolarHBondContact O-CA 3.39Å; E97-V179 HydrophobicContact CB-CG1 4.22Å; V150-V179 HydrophobicContact CG1-CB 4.32Å; V150-V179 HydrophobicContact CG1-CG1 3.88Å; V150-V179 HydrophobicContact CG1-CG2 3.43Å; V150-V179 VanDerWaalsContact CG1-CG2 3.43Å; A155-V179 HydrophobicContact CB-CB 4.41Å; A155-V179 HydrophobicContact CB-CG2 3.99Å; L177-V179 HydrophobicContact CG-CG2 4.19Å; V179-E181 PolarHBondContact O-N 2.86Å
180	R	92.7	Very high	89.1	Confident	120 Å²	120	64.5 Å²	64.5	45%	0.453	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	108.5	170	-72.6	-174.4	160.7	-167.7	-6.4	109.3	E94 V95 E96 E97 R182 Y209	E94-R180 HydrophobicContact CG-CG 4.11Å; E94-R180 WeakPolarHBondContact OE1-CD 3.48Å; E94-R180 VanDerWaalsContact OE1-CG 3.25Å; E94-R180 WeakPolarHBondContact OE1-CG 3.5Å; E94-R180 IonicContact OE1-CZ 2.72Å; E94-R180 IonicContact OE1-NE 3.59Å; E94-R180 PolarHBondContact OE1-NE 2.81Å; E94-R180 IonicContact OE1-NH2 2.72Å; V95-R180 PolarHBondContact O-N 2.96Å; E96-R180 HydrophobicContact CG-CB 4.42Å; E97-R180 PolarHBondContact N-O 2.84Å; R180-R182 PolarHBondContact O-N 2.88Å; R180-Y209 HydrophobicContact CB-CD1 4.34Å
181	E	89.8	Confident	88.9	Confident	53 Å²	53	67.3 Å²	67.3	25%	0.248	32%	0.316	C	S	.	.			trans	-65.2	129.4	175.7	-171.6	173.1	-151.1	0	0	110.9	V152 V179 K184 V207 G208 Y209 Q270	V152-E181 HydrophobicContact CG2-CB 3.92Å; V152-E181 HydrophobicContact CG2-CG 3.84Å; V179-E181 PolarHBondContact O-N 2.86Å; E181-K184 WeakPolarHBondContact OE1-CE 3.42Å; E181-K184 IonicContact OE1-NZ 3.03Å; E181-K184 PolarHBondContact OE1-NZ 2.81Å; E181-V207 WeakPolarHBondContact OE1-CG2 3.34Å; E181-G208 CarbonylContact O-C 3.56Å; E181-G208 WeakPolarHBondContact O-CA 3.31Å; E181-Y209 WeakPolarHBondContact O-CD1 3.35Å; E181-Y209 PolarHBondContact O-N 2.87Å; E181-Q270 PolarHBondContact O-OE1 3.37Å
182	R	90.4	Very high	88.4	Confident	111 Å²	111	62.6 Å²	62.6	42%	0.419	30%	0.297	S	S	.	.			trans	-77.7	152.3	178	-78.5	-174.7	166.5	175.8	7.2	111.5	E96 E97 R180 K184	E96-R182 VanDerWaalsContact CD-NH2 3.25Å; E96-R182 HydrophobicContact CG-CG 3.86Å; E96-R182 VanDerWaalsContact OE1-CG 3.29Å; E96-R182 WeakPolarHBondContact OE1-CG 3.34Å; E96-R182 IonicContact OE1-CZ 2.61Å; E96-R182 IonicContact OE1-NE 3.3Å; E96-R182 PolarHBondContact OE1-NE 2.96Å; E96-R182 IonicContact OE1-NH2 3.92Å; E96-R182 PolarHBondContact OE1-NH2 2.89Å; E96-R182 IonicContact OE2-CZ 3.67Å; E96-R182 IonicContact OE2-NE 2.73Å; E96-R182 PolarHBondContact OE2-NE 3.42Å; E96-R182 IonicContact OE2-NH2 3.62Å; E96-R182 PolarHBondContact OE2-NH2 3.04Å; E97-R182 HydrophobicContact CB-CG 4.24Å; E97-R182 VanDerWaalsContact O-CD 3.3Å; E97-R182 WeakPolarHBondContact O-CD 3.07Å; E97-R182 PolarHBondContact O-NE 3.38Å; E97-R182 PolarHBondContact OE2-N 2.77Å; R180-R182 PolarHBondContact O-N 2.88Å; R182-K184 PolarHBondContact O-N 3.31Å
183	L	92.6	Very high	87.8	Confident	22 Å²	22	66.3 Å²	66.3	12%	0.115	31%	0.312	C	S	.	.	S	Bend	trans	-58.5	111.5	171	-174.6	66.3	0	0	0	110.3	A206 V207 A212 Q270 G271 I273	L183-A206 HydrophobicContact CD1-CB 4.09Å; L183-V207 VanDerWaalsContact CA-O 3.32Å; L183-V207 WeakPolarHBondContact CA-O 3.46Å; L183-A212 HydrophobicContact CD1-CB 3.66Å; L183-Q270 HydrophobicContact CB-CB 3.88Å; L183-Q270 HydrophobicContact CD2-CB 4.35Å; L183-G271 WeakPolarHBondContact CD2-O 3.47Å; L183-I273 HydrophobicContact CD1-CD1 4.5Å; L183-I273 HydrophobicContact CD2-CD1 4.36Å; L183-I273 HydrophobicContact CD2-CG1 3.98Å; L183-I273 HydrophobicContact CD2-CG2 4.2Å; L183-I273 HydrophobicContact CG-CD1 3.8Å; L183-I273 HydrophobicContact CG-CG1 3.98Å; L183-I273 HydrophobicContact CG-CG2 4.44Å
184	K	85.8	Confident	87.3	Confident	62 Å²	62	60.4 Å²	60.4	27%	0.27	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	157.5	179	69	-167.4	179.4	-151.4	0	110.8	E97 E181 R182 A206 V207	E97-K184 IonicContact OE1-NZ 2.72Å; E97-K184 PolarHBondContact OE1-NZ 2.82Å; E97-K184 IonicContact OE2-NZ 3.77Å; E97-K184 PolarHBondContact OE2-NZ 2.72Å; E181-K184 WeakPolarHBondContact OE1-CE 3.42Å; E181-K184 IonicContact OE1-NZ 3.03Å; E181-K184 PolarHBondContact OE1-NZ 2.81Å; R182-K184 PolarHBondContact O-N 3.31Å; K184-A206 CarbonylContact O-C 3.51Å; K184-A206 VanDerWaalsContact O-CA 3.24Å; K184-A206 WeakPolarHBondContact O-CA 3.36Å; K184-V207 HydrophobicContact CG-CG2 3.81Å; K184-V207 PolarHBondContact N-O 3.18Å; K184-V207 PolarHBondContact O-N 3.37Å
185	F	84	Confident	86.8	Confident	22 Å²	22	61.6 Å²	61.6	10%	0.096	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	126.3	170.8	-64.6	-74.3	0	0	0	110.3	R188 C204 R205 A206 C264 A266 I273 N274 V275	F185-R188 HydrophobicContact CB-CB 4.35Å; F185-R188 HydrophobicContact CB-CG 4.4Å; F185-C204 VanDerWaalsContact CD1-SG 3.56Å; F185-C204 WeakPolarHBondContact CE1-SG 3.5Å; F185-R205 CarbonylContact C-O 3.52Å; F185-R205 WeakPolarHBondContact CA-O 3.36Å; F185-A206 HydrophobicContact CD1-CB 4.31Å; F185-C264 HydrophobicContact CE1-CB 4.36Å; F185-A266 HydrophobicContact CE1-CB 3.76Å; F185-A266 HydrophobicContact CZ-CB 4.02Å; F185-I273 HydrophobicContact CD2-CD1 3.74Å; F185-I273 HydrophobicContact CD2-CG1 4.34Å; F185-I273 HydrophobicContact CE1-CD1 4.41Å; F185-I273 HydrophobicContact CE1-CG1 4.49Å; F185-I273 HydrophobicContact CE2-CB 4.11Å; F185-I273 HydrophobicContact CE2-CD1 3.62Å; F185-I273 HydrophobicContact CE2-CG1 3.7Å; F185-I273 HydrophobicContact CG-CD1 4.19Å; F185-I273 HydrophobicContact CZ-CB 4.49Å; F185-I273 HydrophobicContact CZ-CD1 3.99Å; F185-I273 HydrophobicContact CZ-CG1 3.79Å; F185-N274 VanDerWaalsContact CE2-C 3.47Å; F185-V275 HydrophobicContact CD1-CG1 4.2Å; F185-V275 HydrophobicContact CD2-CB 3.93Å; F185-V275 HydrophobicContact CD2-CG1 3.76Å; F185-V275 HydrophobicContact CE1-CG1 4.05Å; F185-V275 HydrophobicContact CE2-CB 3.73Å; F185-V275 HydrophobicContact CE2-CG1 3.6Å; F185-V275 HydrophobicContact CG-CG1 4.06Å; F185-V275 HydrophobicContact CZ-CB 4.31Å; F185-V275 HydrophobicContact CZ-CG1 3.75Å
186	S	78.8	Confident	86.4	Confident	54 Å²	54	63.2 Å²	63.2	38%	0.378	29%	0.293	S	S	.	.	S	Bend	trans	-148	110.9	178	-169.2	0	0	0	0	110.7	R205 V207	S186-R205 PolarHBondContact N-O 3.11Å; S186-R205 WeakPolarHBondContact O-CB 3.42Å; S186-V207 VanDerWaalsContact CB-CG2 3.41Å
187	P	76.1	Confident	86	Confident	71 Å²	71	67 Å²	67	46%	0.461	31%	0.308	S	S	.	.	S	Bend	cis	-65.5	149.8	-7.3	29.4	-34.9	0	0	0	111.1	P189	P187-P189 WeakPolarHBondContact O-CD 3.41Å
188	R	77.2	Confident	85.5	Confident	171 Å²	171	68.4 Å²	68.4	65%	0.645	32%	0.319	S	S	*	.	P	Polyproline II helix	trans	-68	124.9	174.4	-175.1	178.7	174.8	111.8	-2.1	109.2	F185 V190	F185-R188 HydrophobicContact CB-CB 4.35Å; F185-R188 HydrophobicContact CB-CG 4.4Å; R188-V190 PolarHBondContact O-N 3.44Å
189	P	77.2	Confident	85	Confident	7 Å²	7	66.3 Å²	66.3	5%	0.045	32%	0.318	C	S	.	.	P	Polyproline II helix	trans	-56.2	137.5	171.2	-25	33.2	0	0	0	111.1	P187 C204 W216 V275 I277	P187-P189 WeakPolarHBondContact O-CD 3.41Å; P189-C204 HydrophobicContact CG-CB 3.98Å; P189-W216 HydrophobicContact CB-CH2 4.18Å; P189-V275 HydrophobicContact CB-CG1 4.1Å; P189-V275 HydrophobicContact CG-CG1 3.73Å; P189-I277 HydrophobicContact CB-CG2 3.74Å
190	V	82.1	Confident	84.6	Confident	60 Å²	60	66 Å²	66	36%	0.364	32%	0.319	S	S	.	.			trans	-125.6	164.6	176.5	-59.5	0	0	0	0	109.9	R188 R192	R188-V190 PolarHBondContact O-N 3.44Å; V190-R192 VanDerWaalsContact O-CD 3.24Å; V190-R192 WeakPolarHBondContact O-CD 3.44Å; V190-R192 WeakPolarHBondContact O-CG 3.24Å
191	D	83.4	Confident	84.3	Confident	94 Å²	94	64.9 Å²	64.9	50%	0.503	32%	0.318	S	S	.	.			trans	-54.5	136.9	177.2	-68.3	0.9	0	0	0	111.6	I277 K278	D191-I277 WeakPolarHBondContact OD1-CA 3.3Å; D191-K278 CarbonylContact C-O 3.48Å; D191-K278 VanDerWaalsContact CA-O 3.25Å; D191-K278 WeakPolarHBondContact CA-O 3.47Å; D191-K278 HydrophobicContact CB-CB 4.11Å; D191-K278 VanDerWaalsContact CG-CB 3.44Å; D191-K278 PolarHBondContact OD1-N 3.28Å; D191-K278 WeakPolarHBondContact OD2-CB 3.48Å
192	R	82.9	Confident	84.2	Confident	30 Å²	30	62.4 Å²	62.4	11%	0.113	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	146.2	-175.2	-59.6	-40.7	-153.6	-176.5	-4.5	111.3	V190 L194 I202 I277 K278 I279 E280 R688 N689	V190-R192 VanDerWaalsContact O-CD 3.24Å; V190-R192 WeakPolarHBondContact O-CD 3.44Å; V190-R192 WeakPolarHBondContact O-CG 3.24Å; R192-L194 HydrophobicContact CB-CD2 4.15Å; R192-I202 HydrophobicContact CB-CD1 3.97Å; R192-I202 HydrophobicContact CG-CD1 3.72Å; R192-I202 HydrophobicContact CG-CG1 4.04Å; R192-I202 HydrophobicContact CG-CG2 4.14Å; R192-I277 HydrophobicContact CG-CD1 4.42Å; R192-K278 PolarHBondContact N-O 3.23Å; R192-I279 WeakPolarHBondContact O-CA 3.06Å; R192-E280 PolarHBondContact O-N 3.18Å; R192-R688 PolarHBondContact NH1-O 3.39Å; R192-R688 VanDerWaalsContact NH1-O 3.11Å; R192-R688 PolarHBondContact NH2-O 2.94Å; R192-N689 WeakPolarHBondContact CD-ND2 3.45Å; R192-N689 PolarHBondContact NE-ND2 2.99Å
193	K	80	Confident	83.9	Confident	87 Å²	87	59.8 Å²	59.8	38%	0.378	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	108.3	174.2	-64.6	177.6	-174.9	162.7	0	108.5	E280 I282 K350 N689	K193-E280 CarbonylContact C-O 3.19Å; K193-E280 WeakPolarHBondContact CA-O 3.46Å; K193-I282 HydrophobicContact CB-CD1 3.63Å; K193-I282 HydrophobicContact CB-CG1 4Å; K193-I282 HydrophobicContact CB-CG2 4.46Å; K193-I282 HydrophobicContact CD-CD1 4.42Å; K193-K350 HydrophobicContact CD-CB 4.32Å; K193-K350 WeakPolarHBondContact CD-O 3.23Å; K193-K350 PolarHBondContact NZ-O 2.91Å; K193-N689 PolarHBondContact N-OD1 3.18Å; K193-N689 PolarHBondContact O-OD1 2.83Å
194	L	86.1	Confident	83.6	Confident	4 Å²	4	58.9 Å²	58.9	2%	0.021	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	135.5	-175	-52.9	-173.5	0	0	0	109.8	R192 A200 I202 F251 T254 I279 E280 V281 I282	R192-L194 HydrophobicContact CB-CD2 4.15Å; L194-A200 HydrophobicContact CD1-CB 4.16Å; L194-A200 HydrophobicContact CD2-CB 3.56Å; L194-A200 HydrophobicContact CG-CB 4.33Å; L194-I202 HydrophobicContact CD2-CD1 4.49Å; L194-F251 HydrophobicContact CD1-CB 4.37Å; L194-F251 HydrophobicContact CD1-CD1 3.91Å; L194-F251 HydrophobicContact CD1-CD2 3.8Å; L194-F251 HydrophobicContact CD1-CE1 4.14Å; L194-F251 HydrophobicContact CD1-CE2 4.04Å; L194-F251 HydrophobicContact CD1-CG 3.76Å; L194-F251 HydrophobicContact CD1-CZ 4.21Å; L194-T254 HydrophobicContact CB-CG2 3.76Å; L194-T254 HydrophobicContact CD1-CG2 4.07Å; L194-I279 HydrophobicContact CD1-CG2 3.63Å; L194-I279 HydrophobicContact CG-CG2 3.84Å; L194-E280 PolarHBondContact N-O 2.87Å; L194-V281 HydrophobicContact CB-CG2 4.43Å; L194-V281 CarbonylContact O-C 3.55Å; L194-V281 WeakPolarHBondContact O-CA 3.39Å; L194-I282 WeakPolarHBondContact O-CG1 3.29Å; L194-I282 PolarHBondContact O-N 3.22Å
195	E	83.9	Confident	83.7	Confident	91 Å²	91	64 Å²	64	43%	0.425	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	136.7	175.8	-174.2	160.6	-140.2	0	0	110.2	H197 S198 I282 S284	E195-H197 PolarHBondContact O-N 3.3Å; E195-S198 VanDerWaalsContact O-CB 3.25Å; E195-S198 WeakPolarHBondContact O-CB 3.2Å; E195-S198 PolarHBondContact O-N 3.1Å; E195-S198 VanDerWaalsContact O-N 3.11Å; E195-S198 PolarHBondContact O-OG 2.92Å; E195-I282 WeakPolarHBondContact CA-O 3.34Å; E195-S284 VanDerWaalsContact OE1-CB 3.3Å; E195-S284 WeakPolarHBondContact OE1-CB 3.44Å; E195-S284 PolarHBondContact OE1-OG 3.3Å
196	L	88	Confident	84	Confident	35 Å²	35	63.6 Å²	63.6	18%	0.183	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57	138.9	178.3	-171.9	74.3	0	0	0	111.4	S198 F256 V281 I282 V283	L196-S198 PolarHBondContact O-N 2.72Å; L196-S198 VanDerWaalsContact O-N 3.13Å; L196-F256 HydrophobicContact CD1-CD1 4.17Å; L196-F256 HydrophobicContact CD1-CD2 3.56Å; L196-F256 HydrophobicContact CD1-CE1 4.2Å; L196-F256 HydrophobicContact CD1-CE2 3.61Å; L196-F256 HydrophobicContact CD1-CG 3.87Å; L196-F256 HydrophobicContact CD1-CZ 3.95Å; L196-F256 HydrophobicContact CD2-CD2 4.2Å; L196-F256 HydrophobicContact CD2-CE2 3.41Å; L196-F256 VanDerWaalsContact CD2-CE2 3.41Å; L196-F256 HydrophobicContact CD2-CZ 3.64Å; L196-F256 HydrophobicContact CG-CE2 4.09Å; L196-F256 HydrophobicContact CG-CZ 4.23Å; L196-V281 HydrophobicContact CB-CG1 4.32Å; L196-V281 HydrophobicContact CD1-CG1 3.97Å; L196-I282 PolarHBondContact N-O 2.89Å; L196-V283 HydrophobicContact CB-CG2 3.86Å; L196-V283 HydrophobicContact CD2-CG2 4.01Å
197	H	88.5	Confident	84.4	Confident	140 Å²	140	62.4 Å²	62.4	65%	0.648	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.2	11.6	-176.8	-48.8	117.4	0	0	0	114.8	E195 T254	E195-H197 PolarHBondContact O-N 3.3Å; H197-T254 WeakPolarHBondContact CA-O 3.15Å; H197-T254 PolarHBondContact N-O 2.73Å
198	S	86.3	Confident	85.1	Confident	32 Å²	32	60 Å²	60	22%	0.224	30%	0.296	C	S	.	.			trans	-90.9	161.9	174.8	76.5	0	0	0	0	111.8	E195 L196 Q253 T254	E195-S198 VanDerWaalsContact O-CB 3.25Å; E195-S198 WeakPolarHBondContact O-CB 3.2Å; E195-S198 PolarHBondContact O-N 3.1Å; E195-S198 VanDerWaalsContact O-N 3.11Å; E195-S198 PolarHBondContact O-OG 2.92Å; L196-S198 PolarHBondContact O-N 2.72Å; L196-S198 VanDerWaalsContact O-N 3.13Å; S198-Q253 PolarHBondContact O-N 2.85Å; S198-T254 WeakPolarHBondContact O-CB 3.05Å; S198-T254 PolarHBondContact O-N 3.22Å; S198-T254 PolarHBondContact O-OG1 2.86Å
199	D	84.5	Confident	85.8	Confident	103 Å²	103	57.4 Å²	57.4	55%	0.551	29%	0.287	S	S	*	.			trans	-96.5	130.6	169.2	-72.4	1.3	0	0	0	109.5	F251 H252 Q253	D199-F251 CarbonylContact C-O 3.34Å; D199-F251 VanDerWaalsContact CA-O 3.3Å; D199-F251 WeakPolarHBondContact CA-O 3.26Å; D199-H252 VanDerWaalsContact OD1-CA 3.28Å; D199-H252 WeakPolarHBondContact OD1-CA 3.15Å; D199-H252 IonicContact OD1-CE1 2.81Å; D199-H252 IonicContact OD1-CG 3Å; D199-H252 IonicContact OD1-ND1 3.95Å; D199-H252 PolarHBondContact OD1-ND1 2.98Å; D199-H252 IonicContact OD2-CE1 3.58Å; D199-H252 IonicContact OD2-ND1 3.89Å; D199-H252 PolarHBondContact OD2-ND1 2.89Å; D199-Q253 PolarHBondContact OD1-N 2.83Å
200	A	86.1	Confident	86.6	Confident	18 Å²	18	57.6 Å²	57.6	15%	0.149	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	154.3	-179.3	0	0	0	0	0	111.4	L194 Y250 F251	L194-A200 HydrophobicContact CD1-CB 4.16Å; L194-A200 HydrophobicContact CD2-CB 3.56Å; L194-A200 HydrophobicContact CG-CB 4.33Å; A200-Y250 CarbonylContact O-C 3.55Å; A200-Y250 WeakPolarHBondContact O-CA 2.97Å; A200-F251 HydrophobicContact CB-CB 4.34Å; A200-F251 PolarHBondContact N-O 3.32Å; A200-F251 PolarHBondContact O-N 3.47Å
201	H	87.2	Confident	87.1	Confident	95 Å²	95	60.7 Å²	60.7	44%	0.44	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	133.6	173.6	56.8	-85.1	0	0	0	109.6	V248 L249 Y250	H201-V248 HydrophobicContact CB-CG1 3.83Å; H201-L249 CarbonylContact C-O 3.5Å; H201-L249 VanDerWaalsContact CA-O 3.31Å; H201-L249 WeakPolarHBondContact CA-O 3.03Å; H201-Y250 HydrophobicContact CB-CD1 3.74Å; H201-Y250 HydrophobicContact CB-CE1 3.9Å; H201-Y250 HydrophobicContact CB-CG 4.5Å
202	I	86.8	Confident	87.6	Confident	2 Å²	2	57.7 Å²	57.7	1%	0.01	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	102.9	-176.4	-53.9	179.8	0	0	0	107.7	R192 L194 W216 V248 L249 F251 I277 I279	R192-I202 HydrophobicContact CB-CD1 3.97Å; R192-I202 HydrophobicContact CG-CD1 3.72Å; R192-I202 HydrophobicContact CG-CG1 4.04Å; R192-I202 HydrophobicContact CG-CG2 4.14Å; L194-I202 HydrophobicContact CD2-CD1 4.49Å; I202-W216 HydrophobicContact CG2-CH2 4.04Å; I202-W216 HydrophobicContact CG2-CZ2 3.85Å; I202-V248 WeakPolarHBondContact O-CA 3.45Å; I202-L249 HydrophobicContact CB-CB 4.35Å; I202-L249 PolarHBondContact N-O 3.49Å; I202-L249 PolarHBondContact O-N 3.39Å; I202-F251 HydrophobicContact CD1-CD2 4.45Å; I202-F251 HydrophobicContact CD1-CE2 3.78Å; I202-F251 HydrophobicContact CG1-CE2 4.31Å; I202-I277 HydrophobicContact CD1-CD1 4.4Å; I202-I277 HydrophobicContact CG2-CD1 3.84Å; I202-I279 HydrophobicContact CD1-CD1 3.3Å; I202-I279 HydrophobicContact CD1-CG1 4.01Å
203	P	84.2	Confident	88.2	Confident	55 Å²	55	64.7 Å²	64.7	36%	0.357	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	140.5	178.2	30.7	-33.6	0	0	0	110.5	V248	P203-V248 HydrophobicContact CB-CG2 4.31Å
204	C	86.5	Confident	88.9	Confident	4 Å²	4	62.1 Å²	62.1	3%	0.027	32%	0.321	C	S	.	.			trans	-127.2	122.6	162.5	178	0	0	0	0	108.6	F185 P189 W216 G247 C264	F185-C204 VanDerWaalsContact CD1-SG 3.56Å; F185-C204 WeakPolarHBondContact CE1-SG 3.5Å; P189-C204 HydrophobicContact CG-CB 3.98Å; C204-W216 HydrophobicContact CB-CH2 4.38Å; C204-W216 HydrophobicContact CB-CZ2 3.47Å; C204-W216 VanDerWaalsContact CB-CZ2 3.47Å; C204-G247 WeakPolarHBondContact CB-O 3.46Å; C204-G247 PolarHBondContact N-O 3.06Å; C204-C264 HydrophobicContact CB-CB 3.72Å; C204-C264 WeakPolarHBondContact CB-SG 3.48Å; C204-C264 WeakPolarHBondContact SG-CB 3.35Å; C204-C264 CovalentContact SG-SG 2.01Å; C204-C264 PolarHBondContact SG-SG 2.85Å
205	R	87.4	Confident	89.3	Confident	169 Å²	169	66.9 Å²	66.9	64%	0.638	34%	0.342	S	S	*	.			trans	-129.8	137.7	176.8	-174.3	176.6	-176.1	178.5	-0.4	109.1	F185 S186	F185-R205 CarbonylContact C-O 3.52Å; F185-R205 WeakPolarHBondContact CA-O 3.36Å; S186-R205 PolarHBondContact N-O 3.11Å; S186-R205 WeakPolarHBondContact O-CB 3.42Å
206	A	90.3	Very high	90	Very high	14 Å²	14	62.6 Å²	62.6	12%	0.116	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	139.7	169.9	0	0	0	0	0	109.3	L183 K184 F185 A212 V214 A266	L183-A206 HydrophobicContact CD1-CB 4.09Å; K184-A206 CarbonylContact O-C 3.51Å; K184-A206 VanDerWaalsContact O-CA 3.24Å; K184-A206 WeakPolarHBondContact O-CA 3.36Å; F185-A206 HydrophobicContact CD1-CB 4.31Å; A206-A212 HydrophobicContact CB-CB 3.9Å; A206-V214 HydrophobicContact CB-CG1 4.1Å; A206-A266 HydrophobicContact CB-CB 3.44Å; A206-A266 VanDerWaalsContact CB-CB 3.44Å
207	V	87.3	Confident	90.3	Very high	29 Å²	29	61.9 Å²	61.9	18%	0.176	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	160.8	177	-60.2	0	0	0	0	108.9	E181 L183 K184 S186	E181-V207 WeakPolarHBondContact OE1-CG2 3.34Å; L183-V207 VanDerWaalsContact CA-O 3.32Å; L183-V207 WeakPolarHBondContact CA-O 3.46Å; K184-V207 HydrophobicContact CG-CG2 3.81Å; K184-V207 PolarHBondContact N-O 3.18Å; K184-V207 PolarHBondContact O-N 3.37Å; S186-V207 VanDerWaalsContact CB-CG2 3.41Å
208	G	91.7	Very high	90.7	Very high	19 Å²	19	55.8 Å²	55.8	20%	0.196	29%	0.291	C	S	.	.	S	Bend	trans	160.8	172.7	-177.9	0	0	0	0	0	110.1	E181 A210	E181-G208 CarbonylContact O-C 3.56Å; E181-G208 WeakPolarHBondContact O-CA 3.31Å; G208-A210 PolarHBondContact O-N 3.11Å
209	Y	92.3	Very high	91.2	Very high	118 Å²	118	55 Å²	55	46%	0.463	28%	0.284	S	S	.	.	S	Bend	trans	-64.9	-23.3	-176.3	75.6	-101.2	0	0	0	113.8	R180 E181 Q270	R180-Y209 HydrophobicContact CB-CD1 4.34Å; E181-Y209 WeakPolarHBondContact O-CD1 3.35Å; E181-Y209 PolarHBondContact O-N 2.87Å; Y209-Q270 HydrophobicContact CD1-CG 3.9Å; Y209-Q270 HydrophobicContact CE1-CG 3.24Å; Y209-Q270 HydrophobicContact CE2-CG 4.11Å; Y209-Q270 WeakPolarHBondContact OH-CG 3.43Å
210	A	93.3	Very high	91.7	Very high	10 Å²	10	50 Å²	50	8%	0.083	26%	0.258	C	S	.	.	S	Bend	trans	-112.9	145.6	174.2	0	0	0	0	0	111.2	G208 S268 S269 Q270	G208-A210 PolarHBondContact O-N 3.11Å; A210-S268 PolarHBondContact O-OG 2.91Å; A210-S269 WeakPolarHBondContact CB-OG 3.36Å; A210-Q270 HydrophobicContact CB-CG 4.22Å; A210-Q270 VanDerWaalsContact N-NE2 3.19Å
211	P	92.7	Very high	92.1	Very high	125 Å²	125	55.6 Å²	55.6	81%	0.812	28%	0.275	S	S	*	.			trans	-54.6	141.3	177.3	-25.3	33.9	0	0	0	112.7	S268	P211-S268 WeakPolarHBondContact O-CB 3.23Å; P211-S268 PolarHBondContact O-OG 2.9Å
212	A	94.4	Very high	92.3	Very high	32 Å²	32	52.1 Å²	52.1	26%	0.264	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	141.3	178.7	0	0	0	0	0	111.2	L183 A206 V267	L183-A212 HydrophobicContact CD1-CB 3.66Å; A206-A212 HydrophobicContact CB-CB 3.9Å; A212-V267 CarbonylContact C-O 3.57Å; A212-V267 WeakPolarHBondContact CA-O 3.41Å
213	K	94.9	Very high	92.1	Very high	177 Å²	177	54.9 Å²	54.9	77%	0.77	28%	0.276	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.4	135.7	170.1	-67	-176.6	-178.8	178.8	0	109.2	A266 V267	K213-A266 CarbonylContact O-C 3.53Å; K213-A266 WeakPolarHBondContact O-CA 3.33Å; K213-V267 PolarHBondContact N-O 3.44Å; K213-V267 PolarHBondContact O-N 3.28Å
214	V	95	Very high	91.7	Very high	33 Å²	33	61.6 Å²	61.6	20%	0.2	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	143.9	-176.3	-75.7	0	0	0	0	111	A206 V265 A266	A206-V214 HydrophobicContact CB-CG1 4.1Å; V214-V265 CarbonylContact C-O 3.59Å; V214-V265 VanDerWaalsContact CA-O 3.31Å; V214-V265 WeakPolarHBondContact CA-O 3.24Å; V214-A266 HydrophobicContact CG1-CB 3.76Å
215	K	95	Very high	91.1	Very high	104 Å²	104	70.3 Å²	70.3	45%	0.452	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	143.2	178.5	-166.3	74.6	-170.2	149	0	110.4	D244 V265	K215-D244 WeakPolarHBondContact CD-OD2 3.3Å; K215-D244 WeakPolarHBondContact CE-OD2 3.3Å; K215-D244 IonicContact NZ-OD2 3.66Å; K215-D244 PolarHBondContact NZ-OD2 2.78Å; K215-V265 PolarHBondContact N-O 2.98Å; K215-V265 PolarHBondContact O-N 3.18Å
216	W	96.6	Very high	90.5	Very high	0 Å²	0	64.3 Å²	64.3	0%	0	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	143.3	174.5	-74.7	97.4	0	0	0	112	P189 I202 C204 F238 D244 G247 L249 C264 I277	P189-W216 HydrophobicContact CB-CH2 4.18Å; I202-W216 HydrophobicContact CG2-CH2 4.04Å; I202-W216 HydrophobicContact CG2-CZ2 3.85Å; C204-W216 HydrophobicContact CB-CH2 4.38Å; C204-W216 HydrophobicContact CB-CZ2 3.47Å; C204-W216 VanDerWaalsContact CB-CZ2 3.47Å; W216-F238 HydrophobicContact CB-CE2 4.14Å; W216-F238 HydrophobicContact CB-CZ 4.02Å; W216-D244 HydrophobicContact CB-CB 4.46Å; W216-D244 PolarHBondContact N-OD2 3.2Å; W216-D244 VanDerWaalsContact N-OD2 3.14Å; W216-G247 PolarHBondContact NE1-O 2.83Å; W216-L249 HydrophobicContact CB-CD1 4.09Å; W216-L249 HydrophobicContact CD2-CB 4.18Å; W216-L249 HydrophobicContact CD2-CD2 4.23Å; W216-L249 HydrophobicContact CE3-CD2 4.38Å; W216-L249 HydrophobicContact CG-CB 4Å; W216-L249 HydrophobicContact CG-CD1 4.29Å; W216-L249 HydrophobicContact CG-CD2 4.33Å; W216-L249 HydrophobicContact CG-CG 4.45Å; W216-C264 HydrophobicContact CD2-CB 3.96Å; W216-C264 HydrophobicContact CE3-CB 3.84Å; W216-C264 HydrophobicContact CH2-CB 3.82Å; W216-C264 HydrophobicContact CZ2-CB 3.97Å; W216-C264 HydrophobicContact CZ3-CB 3.75Å; W216-I277 HydrophobicContact CH2-CD1 3.54Å; W216-I277 HydrophobicContact CH2-CG1 3.94Å; W216-I277 HydrophobicContact CZ3-CD1 3.87Å; W216-I277 HydrophobicContact CZ3-CG1 3.83Å
217	V	96.2	Very high	90.3	Very high	20 Å²	20	66.1 Å²	66.1	12%	0.121	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	149.1	170.2	-60.2	0	0	0	0	110.2	V219 P234 V235 A236 Y262 M263 V265	V217-V219 HydrophobicContact CG2-CG1 4.16Å; V217-P234 HydrophobicContact CB-CB 3.95Å; V217-P234 HydrophobicContact CG2-CB 3.82Å; V217-V235 CarbonylContact C-O 3.57Å; V217-V235 WeakPolarHBondContact CA-O 3.48Å; V217-A236 HydrophobicContact CG1-CB 4.05Å; V217-Y262 CarbonylContact O-C 3.53Å; V217-Y262 WeakPolarHBondContact O-CA 3.34Å; V217-M263 HydrophobicContact CG2-CB 3.87Å; V217-M263 HydrophobicContact CG2-CE 3.58Å; V217-M263 HydrophobicContact CG2-CG 4.48Å; V217-M263 PolarHBondContact N-O 2.01Å; V217-M263 PolarHBondContact O-N 2.92Å; V217-V265 HydrophobicContact CG2-CG2 4.46Å
218	Q	96.6	Very high	90.4	Very high	12 Å²	12	68.1 Å²	68.1	6%	0.056	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	129.9	171.8	-159.2	176.8	19.3	0	0	109.8	F231 P234 V235 F238 Y262	Q218-F231 HydrophobicContact CB-CE2 4.09Å; Q218-F231 HydrophobicContact CG-CE2 3.73Å; Q218-P234 CarbonylContact O-C 3.58Å; Q218-P234 WeakPolarHBondContact O-CA 3.09Å; Q218-V235 HydrophobicContact CB-CB 4.37Å; Q218-V235 PolarHBondContact N-O 2.92Å; Q218-V235 PolarHBondContact O-N 2.91Å; Q218-F238 HydrophobicContact CB-CE1 4.03Å; Q218-Y262 HydrophobicContact CB-CD1 4.49Å; Q218-Y262 HydrophobicContact CB-CE1 4.41Å; Q218-Y262 HydrophobicContact CG-CD1 4.42Å; Q218-Y262 HydrophobicContact CG-CE1 4.18Å; Q218-Y262 HydrophobicContact CG-CE2 4.36Å; Q218-Y262 PolarHBondContact NE2-OH 2.83Å
219	V	96.5	Very high	90.5	Very high	15 Å²	15	71 Å²	71	9%	0.091	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	-2.8	-178.3	-61.7	0	0	0	0	113.1	V217 R230 F231 P234 L261 M263 T276	V217-V219 HydrophobicContact CG2-CG1 4.16Å; V219-R230 WeakPolarHBondContact O-CA 3.38Å; V219-F231 PolarHBondContact O-N 3.3Å; V219-P234 HydrophobicContact CG1-CB 4.1Å; V219-P234 HydrophobicContact CG1-CG 4.28Å; V219-L261 HydrophobicContact CG2-CB 3.6Å; V219-L261 WeakPolarHBondContact CG2-O 3.29Å; V219-L261 PolarHBondContact N-O 2.9Å; V219-M263 HydrophobicContact CG1-CB 3.86Å; V219-M263 HydrophobicContact CG1-CE 3.81Å; V219-M263 HydrophobicContact CG1-SD 4.35Å; V219-M263 HydrophobicContact CG2-CB 4.38Å; V219-T276 HydrophobicContact CG2-CG2 3.87Å
220	G	95.7	Very high	90.5	Very high	0 Å²	0	73.6 Å²	73.6	0%	0	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-177.7	170	174.1	0	0	0	0	0	113.3	V229 G260 L261	G220-V229 CarbonylContact C-O 3.6Å; G220-V229 WeakPolarHBondContact CA-O 3.35Å; G220-G260 CarbonylContact O-C 3.42Å; G220-G260 VanDerWaalsContact O-CA 3.28Å; G220-G260 WeakPolarHBondContact O-CA 3.48Å; G220-L261 PolarHBondContact N-O 2.83Å; G220-L261 PolarHBondContact O-N 2.85Å
221	R	94.5	Very high	90.5	Very high	134 Å²	134	76 Å²	76	51%	0.506	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	156.4	175	-87.1	171.3	-172.7	-166.4	2.4	111.3	V228 V229 F231	R221-V228 WeakPolarHBondContact O-CA 3.45Å; R221-V229 PolarHBondContact N-O 3.42Å; R221-V229 PolarHBondContact O-N 2.85Å; R221-F231 HydrophobicContact CB-CE1 4.23Å; R221-F231 HydrophobicContact CB-CZ 4.28Å; R221-F231 HydrophobicContact CG-CE1 3.94Å; R221-F231 HydrophobicContact CG-CZ 3.58Å
222	I	89.7	Confident	90.3	Very high	23 Å²	23	74.1 Å²	74.1	12%	0.118	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	125.2	172.2	-62.7	160.4	0	0	0	107.4	A227 V228 S259 K278 E280	I222-A227 WeakPolarHBondContact CA-O 3.17Å; I222-V228 HydrophobicContact CG1-CG2 4.27Å; I222-S259 PolarHBondContact N-O 3.28Å; I222-K278 HydrophobicContact CD1-CD 4.15Å; I222-K278 VanDerWaalsContact CD1-CE 3.48Å; I222-K278 HydrophobicContact CD1-CG 3.53Å; I222-E280 HydrophobicContact CD1-CG 4.36Å
223	T	83.6	Confident	90.2	Very high	59 Å²	59	80.3 Å²	80.3	36%	0.362	42%	0.42	S	S	.	.			trans	-75	163.4	176.2	60.2	0	0	0	0	111.1	Q225 G226 A227 V229	T223-Q225 PolarHBondContact O-N 3.49Å; T223-Q225 VanDerWaalsContact O-N 3.15Å; T223-G226 WeakPolarHBondContact O-CA 3.32Å; T223-G226 PolarHBondContact O-N 3.28Å; T223-A227 PolarHBondContact N-O 2.96Å; T223-A227 WeakPolarHBondContact OG1-CA 3.35Å; T223-A227 WeakPolarHBondContact OG1-CB 3.31Å; T223-A227 PolarHBondContact OG1-N 2.9Å; T223-A227 PolarHBondContact OG1-O 3.34Å; T223-A227 VanDerWaalsContact OG1-O 3.07Å; T223-V229 HydrophobicContact CG2-CG2 4.13Å
224	E	74.5	Confident	90.1	Very high	197 Å²	197	75.5 Å²	75.5	92%	0.921	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-27.5	176.4	-66	-176.9	170.5	0	0	113.2	G226	E224-G226 PolarHBondContact O-N 3.43Å
225	Q	73.9	Confident	90	Very high	187 Å²	187	76.7 Å²	76.7	87%	0.874	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80	0.3	175	-63.9	171.8	-3.7	0	0	113	T223	T223-Q225 PolarHBondContact O-N 3.49Å; T223-Q225 VanDerWaalsContact O-N 3.15Å
226	G	75.8	Confident	89.8	Confident	42 Å²	42	74 Å²	74	43%	0.433	41%	0.411	S	S	.	.	S	Bend	trans	84.1	0.6	-179.4	0	0	0	0	0	115.1	T223 E224	T223-G226 WeakPolarHBondContact O-CA 3.32Å; T223-G226 PolarHBondContact O-N 3.28Å; E224-G226 PolarHBondContact O-N 3.43Å
227	A	85.8	Confident	89.6	Confident	53 Å²	53	81 Å²	81	44%	0.438	45%	0.448	S	S	.	.			trans	-72.7	136.4	177.8	0	0	0	0	0	111.4	I222 T223	I222-A227 WeakPolarHBondContact CA-O 3.17Å; T223-A227 PolarHBondContact N-O 2.96Å; T223-A227 WeakPolarHBondContact OG1-CA 3.35Å; T223-A227 WeakPolarHBondContact OG1-CB 3.31Å; T223-A227 PolarHBondContact OG1-N 2.9Å; T223-A227 PolarHBondContact OG1-O 3.34Å; T223-A227 VanDerWaalsContact OG1-O 3.07Å
228	V	90.8	Very high	89.5	Confident	71 Å²	71	81.6 Å²	81.6	43%	0.43	45%	0.449	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	121.3	-178.3	-179.4	0	0	0	0	109.9	R221 I222 R230 L261	R221-V228 WeakPolarHBondContact O-CA 3.45Å; I222-V228 HydrophobicContact CG1-CG2 4.27Å; V228-R230 HydrophobicContact CG1-CG 4.49Å; V228-L261 HydrophobicContact CG1-CD1 3.55Å; V228-L261 HydrophobicContact CG1-CG 3.98Å
229	V	91.9	Very high	89.4	Confident	79 Å²	79	83.8 Å²	83.8	48%	0.479	46%	0.464	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	108	175	-177.1	0	0	0	0	108.5	G220 R221 T223	G220-V229 CarbonylContact C-O 3.6Å; G220-V229 WeakPolarHBondContact CA-O 3.35Å; R221-V229 PolarHBondContact N-O 3.42Å; R221-V229 PolarHBondContact O-N 2.85Å; T223-V229 HydrophobicContact CG2-CG2 4.13Å
230	R	93.8	Very high	89.3	Confident	172 Å²	172	88.4 Å²	88.4	65%	0.649	50%	0.498	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.8	140.7	176.5	-70.5	-178.7	176	-89.7	1	110.6	V219 V228 L261	V219-R230 WeakPolarHBondContact O-CA 3.38Å; V228-R230 HydrophobicContact CG1-CG 4.49Å; R230-L261 HydrophobicContact CG-CD1 4.26Å
231	F	92.3	Very high	89.3	Confident	60 Å²	60	89.2 Å²	89.2	26%	0.263	50%	0.501	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	146.9	173.9	-56.9	-31.7	0	0	0	110.5	Q218 V219 R221 Q233 V235	Q218-F231 HydrophobicContact CB-CE2 4.09Å; Q218-F231 HydrophobicContact CG-CE2 3.73Å; V219-F231 PolarHBondContact O-N 3.3Å; R221-F231 HydrophobicContact CB-CE1 4.23Å; R221-F231 HydrophobicContact CB-CZ 4.28Å; R221-F231 HydrophobicContact CG-CE1 3.94Å; R221-F231 HydrophobicContact CG-CZ 3.58Å; F231-Q233 VanDerWaalsContact C-N 3.26Å; F231-Q233 WeakPolarHBondContact CB-O 3.38Å; F231-Q233 PolarHBondContact O-N 3.48Å; F231-V235 HydrophobicContact CD2-CG2 3.92Å; F231-V235 HydrophobicContact CE2-CG2 4.13Å
232	G	88.5	Confident	89.4	Confident	87 Å²	87	83.1 Å²	83.1	90%	0.897	48%	0.479	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.1	-26.1	172.9	0	0	0	0	0	113.3
233	Q	92	Very high	89.7	Confident	161 Å²	161	89.7 Å²	89.7	75%	0.752	50%	0.502	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-134.8	141.1	174.7	-69.7	-174.7	-16.3	0	0	110.5	F231	F231-Q233 VanDerWaalsContact C-N 3.26Å; F231-Q233 WeakPolarHBondContact CB-O 3.38Å; F231-Q233 PolarHBondContact O-N 3.48Å
234	P	93.6	Very high	90.2	Very high	77 Å²	77	88.2 Å²	88.2	50%	0.5	49%	0.492	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	134.3	174.6	-20.1	32.2	0	0	0	112.1	V217 Q218 V219	V217-P234 HydrophobicContact CB-CB 3.95Å; V217-P234 HydrophobicContact CG2-CB 3.82Å; Q218-P234 CarbonylContact O-C 3.58Å; Q218-P234 WeakPolarHBondContact O-CA 3.09Å; V219-P234 HydrophobicContact CG1-CB 4.1Å; V219-P234 HydrophobicContact CG1-CG 4.28Å
235	V	93.1	Very high	91	Very high	58 Å²	58	84.8 Å²	84.8	35%	0.352	47%	0.474	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	116.5	180	-178.4	0	0	0	0	109.4	V217 Q218 F231	V217-V235 CarbonylContact C-O 3.57Å; V217-V235 WeakPolarHBondContact CA-O 3.48Å; Q218-V235 HydrophobicContact CB-CB 4.37Å; Q218-V235 PolarHBondContact N-O 2.92Å; Q218-V235 PolarHBondContact O-N 2.91Å; F231-V235 HydrophobicContact CD2-CG2 3.92Å; F231-V235 HydrophobicContact CE2-CG2 4.13Å
236	A	90.6	Very high	91.7	Very high	46 Å²	46	83.8 Å²	83.8	38%	0.38	47%	0.469	S	S	.	.			trans	-96.3	-15.7	175.2	0	0	0	0	0	113.3	V217 F238	V217-A236 HydrophobicContact CG1-CB 4.05Å; A236-F238 WeakPolarHBondContact O-CD2 3.45Å; A236-F238 PolarHBondContact O-N 3.46Å
237	N	92.2	Very high	92.2	Very high	147 Å²	147	81.9 Å²	81.9	79%	0.786	45%	0.449	S	S	*	.			trans	-87.1	93.8	178.5	-75.1	-3	0	0	0	109.7
238	F	95	Very high	92.5	Very high	33 Å²	33	80.7 Å²	80.7	15%	0.145	44%	0.437	C	S	.	.			trans	-78.9	155.3	178	-59.5	-70.7	0	0	0	112.3	W216 Q218 A236 I242 D244 L249 Y262	W216-F238 HydrophobicContact CB-CE2 4.14Å; W216-F238 HydrophobicContact CB-CZ 4.02Å; Q218-F238 HydrophobicContact CB-CE1 4.03Å; A236-F238 WeakPolarHBondContact O-CD2 3.45Å; A236-F238 PolarHBondContact O-N 3.46Å; F238-I242 HydrophobicContact CB-CB 3.82Å; F238-I242 HydrophobicContact CB-CG2 3.74Å; F238-I242 HydrophobicContact CD1-CG2 4.04Å; F238-I242 HydrophobicContact CD2-CG2 4.33Å; F238-I242 HydrophobicContact CG-CB 4.42Å; F238-I242 HydrophobicContact CG-CG2 3.79Å; F238-D244 HydrophobicContact CD2-CB 4.39Å; F238-D244 HydrophobicContact CE2-CB 4.12Å; F238-L249 HydrophobicContact CD2-CD1 4.18Å; F238-L249 HydrophobicContact CE2-CD1 3.86Å; F238-L249 HydrophobicContact CZ-CD1 4.04Å; F238-Y262 HydrophobicContact CD1-CE1 4.19Å; F238-Y262 AromaticContact CE1-CD1 3.92Å; F238-Y262 HydrophobicContact CE1-CD1 3.92Å; F238-Y262 AromaticContact CE1-CE1 3.62Å; F238-Y262 HydrophobicContact CE1-CE1 3.62Å; F238-Y262 HydrophobicContact CZ-CD1 4.4Å; F238-Y262 HydrophobicContact CZ-CE1 4.48Å
239	P	94	Very high	92.6	Very high	58 Å²	58	77.3 Å²	77.3	38%	0.377	42%	0.416	S	S	.	.			trans	-51.5	155.4	166.2	-26.5	35.3	0	0	0	112.5	H241 I242	P239-H241 VanDerWaalsContact CB-CE1 3.41Å; P239-H241 WeakPolarHBondContact CB-CE1 2.98Å; P239-H241 WeakPolarHBondContact CB-ND1 2.93Å; P239-H241 PolarHBondContact O-N 2.89Å; P239-H241 VanDerWaalsContact O-N 3.08Å; P239-I242 PolarHBondContact O-N 3.02Å
240	S	94.3	Very high	92.7	Very high	113 Å²	113	78.1 Å²	78.1	79%	0.79	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-25	-174.2	56.6	0	0	0	0	114.9	I242	S240-I242 VanDerWaalsContact C-N 3.31Å
241	H	95.8	Very high	92.7	Very high	17 Å²	17	70.1 Å²	70.1	8%	0.079	38%	0.381	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-9.7	176.1	70.4	-79.2	0	0	0	113.7	P239 H252 D258	P239-H241 VanDerWaalsContact CB-CE1 3.41Å; P239-H241 WeakPolarHBondContact CB-CE1 2.98Å; P239-H241 WeakPolarHBondContact CB-ND1 2.93Å; P239-H241 PolarHBondContact O-N 2.89Å; P239-H241 VanDerWaalsContact O-N 3.08Å; H241-H252 WeakPolarHBondContact CB-O 3.43Å; H241-H252 PolarHBondContact CD2-O 2.96Å; H241-H252 PolarHBondContact O-N 3.21Å; H241-D258 IonicContact CD2-OD2 2.85Å; H241-D258 IonicContact CE1-OD1 3.62Å; H241-D258 PolarHBondContact CE1-OD1 3.43Å; H241-D258 VanDerWaalsContact NE2-CG 3.28Å; H241-D258 IonicContact NE2-OD1 2.58Å; H241-D258 PolarHBondContact NE2-OD1 2.95Å; H241-D258 IonicContact NE2-OD2 3.89Å; H241-D258 PolarHBondContact NE2-OD2 2.9Å
242	I	96.5	Very high	92.8	Very high	6 Å²	6	71.2 Å²	71.2	3%	0.031	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	124.6	174.7	-59.7	174.7	0	0	0	109.5	F238 P239 S240 L249 Y250 F251 D258	F238-I242 HydrophobicContact CB-CB 3.82Å; F238-I242 HydrophobicContact CB-CG2 3.74Å; F238-I242 HydrophobicContact CD1-CG2 4.04Å; F238-I242 HydrophobicContact CD2-CG2 4.33Å; F238-I242 HydrophobicContact CG-CB 4.42Å; F238-I242 HydrophobicContact CG-CG2 3.79Å; P239-I242 PolarHBondContact O-N 3.02Å; S240-I242 VanDerWaalsContact C-N 3.31Å; I242-L249 HydrophobicContact CG2-CD1 3.61Å; I242-L249 HydrophobicContact CG2-CG 4.13Å; I242-Y250 CarbonylContact C-O 3.54Å; I242-Y250 WeakPolarHBondContact CA-O 3.48Å; I242-F251 HydrophobicContact CD1-CD1 3.74Å; I242-F251 HydrophobicContact CD1-CE1 3.46Å; I242-F251 VanDerWaalsContact CD1-CE1 3.46Å; I242-F251 HydrophobicContact CD1-CZ 4.37Å; I242-F251 HydrophobicContact CG1-CD1 3.65Å; I242-F251 HydrophobicContact CG1-CE1 3.84Å; I242-F251 HydrophobicContact CG1-CG 4.39Å; I242-F251 HydrophobicContact CG2-CE1 4.37Å; I242-F251 HydrophobicContact CG2-CZ 4.47Å; I242-D258 HydrophobicContact CD1-CB 4.37Å; I242-D258 WeakPolarHBondContact CD1-OD1 3.46Å
243	R	94.9	Very high	92.9	Very high	160 Å²	160	72.5 Å²	72.5	60%	0.604	37%	0.37	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-127.1	128.9	-178.9	-66	-171.4	-75.1	-128.3	-1.5	111.4	Y250	R243-Y250 PolarHBondContact N-O 2.82Å; R243-Y250 WeakPolarHBondContact O-CD2 3.44Å; R243-Y250 PolarHBondContact O-N 3.19Å
244	D	94.3	Very high	93	Very high	29 Å²	29	64.9 Å²	64.9	16%	0.155	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	109.6	169.3	173.4	19.9	0	0	0	109.7	K215 W216 F238 L249	K215-D244 WeakPolarHBondContact CD-OD2 3.3Å; K215-D244 WeakPolarHBondContact CE-OD2 3.3Å; K215-D244 IonicContact NZ-OD2 3.66Å; K215-D244 PolarHBondContact NZ-OD2 2.78Å; W216-D244 HydrophobicContact CB-CB 4.46Å; W216-D244 PolarHBondContact N-OD2 3.2Å; W216-D244 VanDerWaalsContact N-OD2 3.14Å; F238-D244 HydrophobicContact CD2-CB 4.39Å; F238-D244 HydrophobicContact CE2-CB 4.12Å; D244-L249 HydrophobicContact CB-CD1 4.12Å
245	K	92.1	Very high	93	Very high	124 Å²	124	66.4 Å²	66.4	54%	0.539	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	124.8	178.4	-176.9	-174	178.4	-171.1	0	110.1	G247 V248 Y250	K245-G247 PolarHBondContact O-N 2.68Å; K245-G247 VanDerWaalsContact O-N 3.1Å; K245-V248 PolarHBondContact N-O 2.85Å; K245-V248 PolarHBondContact O-N 3.26Å; K245-Y250 HydrophobicContact CB-CD2 4.4Å; K245-Y250 HydrophobicContact CB-CE2 4.01Å
246	E	88.1	Confident	93	Very high	167 Å²	167	67.9 Å²	67.9	78%	0.78	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.9	34	173.5	-66.2	167.6	-149.3	0	0	113.6
247	G	87.4	Confident	93.1	Very high	1 Å²	1	71 Å²	71	1%	0.01	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	86.6	-0.2	-178.9	0	0	0	0	0	115.3	C204 W216 K245	C204-G247 WeakPolarHBondContact CB-O 3.46Å; C204-G247 PolarHBondContact N-O 3.06Å; W216-G247 PolarHBondContact NE1-O 2.83Å; K245-G247 PolarHBondContact O-N 2.68Å; K245-G247 VanDerWaalsContact O-N 3.1Å
248	V	90.5	Very high	93.2	Very high	28 Å²	28	64.1 Å²	64.1	17%	0.17	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	123.8	177.3	-173	0	0	0	0	109.5	H201 I202 P203 K245 Y250	H201-V248 HydrophobicContact CB-CG1 3.83Å; I202-V248 WeakPolarHBondContact O-CA 3.45Å; P203-V248 HydrophobicContact CB-CG2 4.31Å; K245-V248 PolarHBondContact N-O 2.85Å; K245-V248 PolarHBondContact O-N 3.26Å; V248-Y250 HydrophobicContact CB-CD2 4.28Å; V248-Y250 HydrophobicContact CB-CE2 3.54Å; V248-Y250 HydrophobicContact CG1-CD1 4.43Å; V248-Y250 HydrophobicContact CG1-CD2 4.11Å; V248-Y250 HydrophobicContact CG1-CE1 3.96Å; V248-Y250 HydrophobicContact CG1-CE2 3.6Å; V248-Y250 HydrophobicContact CG1-CG 4.5Å; V248-Y250 VanDerWaalsContact O-CD2 3.29Å; V248-Y250 WeakPolarHBondContact O-CD2 3.33Å; V248-Y250 WeakPolarHBondContact O-CE2 3.16Å
249	L	93.1	Very high	93.1	Very high	0 Å²	0	63.2 Å²	63.2	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	109.3	174.8	-168.9	66	0	0	0	109.4	H201 I202 W216 F238 I242 D244 F251 Y262 I279	H201-L249 CarbonylContact C-O 3.5Å; H201-L249 VanDerWaalsContact CA-O 3.31Å; H201-L249 WeakPolarHBondContact CA-O 3.03Å; I202-L249 HydrophobicContact CB-CB 4.35Å; I202-L249 PolarHBondContact N-O 3.49Å; I202-L249 PolarHBondContact O-N 3.39Å; W216-L249 HydrophobicContact CB-CD1 4.09Å; W216-L249 HydrophobicContact CD2-CB 4.18Å; W216-L249 HydrophobicContact CD2-CD2 4.23Å; W216-L249 HydrophobicContact CE3-CD2 4.38Å; W216-L249 HydrophobicContact CG-CB 4Å; W216-L249 HydrophobicContact CG-CD1 4.29Å; W216-L249 HydrophobicContact CG-CD2 4.33Å; W216-L249 HydrophobicContact CG-CG 4.45Å; F238-L249 HydrophobicContact CD2-CD1 4.18Å; F238-L249 HydrophobicContact CE2-CD1 3.86Å; F238-L249 HydrophobicContact CZ-CD1 4.04Å; I242-L249 HydrophobicContact CG2-CD1 3.61Å; I242-L249 HydrophobicContact CG2-CG 4.13Å; D244-L249 HydrophobicContact CB-CD1 4.12Å; L249-F251 HydrophobicContact CB-CE2 4.36Å; L249-F251 HydrophobicContact CD2-CE2 3.56Å; L249-F251 HydrophobicContact CD2-CZ 3.63Å; L249-F251 HydrophobicContact CG-CD2 4.44Å; L249-F251 HydrophobicContact CG-CE2 3.63Å; L249-F251 HydrophobicContact CG-CZ 4.05Å; L249-Y262 HydrophobicContact CD2-CD1 3.46Å; L249-Y262 VanDerWaalsContact CD2-CD1 3.46Å; L249-Y262 HydrophobicContact CD2-CE1 3.82Å; L249-Y262 HydrophobicContact CD2-CG 4.23Å; L249-I279 HydrophobicContact CD2-CD1 4.42Å
250	Y	93.7	Very high	93.2	Very high	97 Å²	97	60.4 Å²	60.4	38%	0.38	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	129.3	-179.9	-63.3	-90.6	0	0	0	110.3	A200 H201 I242 R243 K245 V248	A200-Y250 CarbonylContact O-C 3.55Å; A200-Y250 WeakPolarHBondContact O-CA 2.97Å; H201-Y250 HydrophobicContact CB-CD1 3.74Å; H201-Y250 HydrophobicContact CB-CE1 3.9Å; H201-Y250 HydrophobicContact CB-CG 4.5Å; I242-Y250 CarbonylContact C-O 3.54Å; I242-Y250 WeakPolarHBondContact CA-O 3.48Å; R243-Y250 PolarHBondContact N-O 2.82Å; R243-Y250 WeakPolarHBondContact O-CD2 3.44Å; R243-Y250 PolarHBondContact O-N 3.19Å; K245-Y250 HydrophobicContact CB-CD2 4.4Å; K245-Y250 HydrophobicContact CB-CE2 4.01Å; V248-Y250 HydrophobicContact CB-CD2 4.28Å; V248-Y250 HydrophobicContact CB-CE2 3.54Å; V248-Y250 HydrophobicContact CG1-CD1 4.43Å; V248-Y250 HydrophobicContact CG1-CD2 4.11Å; V248-Y250 HydrophobicContact CG1-CE1 3.96Å; V248-Y250 HydrophobicContact CG1-CE2 3.6Å; V248-Y250 HydrophobicContact CG1-CG 4.5Å; V248-Y250 VanDerWaalsContact O-CD2 3.29Å; V248-Y250 WeakPolarHBondContact O-CD2 3.33Å; V248-Y250 WeakPolarHBondContact O-CE2 3.16Å
251	F	94.9	Very high	93.2	Very high	4 Å²	4	55.8 Å²	55.8	2%	0.018	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	127.9	169.7	-65.1	-102.5	0	0	0	107.9	L194 D199 A200 I202 I242 L249 D258 Y262 I279	L194-F251 HydrophobicContact CD1-CB 4.37Å; L194-F251 HydrophobicContact CD1-CD1 3.91Å; L194-F251 HydrophobicContact CD1-CD2 3.8Å; L194-F251 HydrophobicContact CD1-CE1 4.14Å; L194-F251 HydrophobicContact CD1-CE2 4.04Å; L194-F251 HydrophobicContact CD1-CG 3.76Å; L194-F251 HydrophobicContact CD1-CZ 4.21Å; D199-F251 CarbonylContact C-O 3.34Å; D199-F251 VanDerWaalsContact CA-O 3.3Å; D199-F251 WeakPolarHBondContact CA-O 3.26Å; A200-F251 HydrophobicContact CB-CB 4.34Å; A200-F251 PolarHBondContact N-O 3.32Å; A200-F251 PolarHBondContact O-N 3.47Å; I202-F251 HydrophobicContact CD1-CD2 4.45Å; I202-F251 HydrophobicContact CD1-CE2 3.78Å; I202-F251 HydrophobicContact CG1-CE2 4.31Å; I242-F251 HydrophobicContact CD1-CD1 3.74Å; I242-F251 HydrophobicContact CD1-CE1 3.46Å; I242-F251 VanDerWaalsContact CD1-CE1 3.46Å; I242-F251 HydrophobicContact CD1-CZ 4.37Å; I242-F251 HydrophobicContact CG1-CD1 3.65Å; I242-F251 HydrophobicContact CG1-CE1 3.84Å; I242-F251 HydrophobicContact CG1-CG 4.39Å; I242-F251 HydrophobicContact CG2-CE1 4.37Å; I242-F251 HydrophobicContact CG2-CZ 4.47Å; L249-F251 HydrophobicContact CB-CE2 4.36Å; L249-F251 HydrophobicContact CD2-CE2 3.56Å; L249-F251 HydrophobicContact CD2-CZ 3.63Å; L249-F251 HydrophobicContact CG-CD2 4.44Å; L249-F251 HydrophobicContact CG-CE2 3.63Å; L249-F251 HydrophobicContact CG-CZ 4.05Å; F251-D258 HydrophobicContact CD1-CB 4.17Å; F251-D258 HydrophobicContact CE1-CB 3.98Å; F251-Y262 HydrophobicContact CZ-CE1 4.07Å; F251-I279 HydrophobicContact CE2-CD1 3.92Å; F251-I279 HydrophobicContact CZ-CD1 3.55Å
252	H	93.5	Very high	93.2	Very high	82 Å²	82	55 Å²	55	38%	0.38	24%	0.244	S	C	.	.	S	Bend	trans	-112.6	132.5	170.9	-176.6	59.6	0	0	0	109.4	D199 H241 T254	D199-H252 VanDerWaalsContact OD1-CA 3.28Å; D199-H252 WeakPolarHBondContact OD1-CA 3.15Å; D199-H252 IonicContact OD1-CE1 2.81Å; D199-H252 IonicContact OD1-CG 3Å; D199-H252 IonicContact OD1-ND1 3.95Å; D199-H252 PolarHBondContact OD1-ND1 2.98Å; D199-H252 IonicContact OD2-CE1 3.58Å; D199-H252 IonicContact OD2-ND1 3.89Å; D199-H252 PolarHBondContact OD2-ND1 2.89Å; H241-H252 WeakPolarHBondContact CB-O 3.43Å; H241-H252 PolarHBondContact CD2-O 2.96Å; H241-H252 PolarHBondContact O-N 3.21Å; H252-T254 PolarHBondContact O-N 2.78Å
253	Q	92.3	Very high	93.2	Very high	115 Å²	115	56.1 Å²	56.1	54%	0.537	25%	0.249	S	C	.	.	S	Bend	trans	46.9	58.4	-176.3	-63.8	-171.1	-28	0	0	112.5	S198 D199 R255	S198-Q253 PolarHBondContact O-N 2.85Å; D199-Q253 PolarHBondContact OD1-N 2.83Å; Q253-R255 WeakPolarHBondContact O-CG 3.34Å
254	T	93.2	Very high	93.2	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	22%	0.221	C	C	.	.			trans	-46.3	137.4	-174.9	-56.8	0	0	0	0	112.7	L194 H197 S198 H252 D258 V281	L194-T254 HydrophobicContact CB-CG2 3.76Å; L194-T254 HydrophobicContact CD1-CG2 4.07Å; H197-T254 WeakPolarHBondContact CA-O 3.15Å; H197-T254 PolarHBondContact N-O 2.73Å; S198-T254 WeakPolarHBondContact O-CB 3.05Å; S198-T254 PolarHBondContact O-N 3.22Å; S198-T254 PolarHBondContact O-OG1 2.86Å; H252-T254 PolarHBondContact O-N 2.78Å; T254-D258 HydrophobicContact CG2-CB 4.48Å; T254-V281 HydrophobicContact CG2-CB 4.42Å; T254-V281 HydrophobicContact CG2-CG1 3.91Å; T254-V281 HydrophobicContact CG2-CG2 3.61Å
255	R	94.6	Very high	93.3	Very high	110 Å²	110	48.6 Å²	48.6	42%	0.415	22%	0.222	S	C	.	.			trans	-119.9	154.7	-176.1	-55.5	177.7	-179.1	178.2	-0.2	111.2	Q253 E257 D258 V281	Q253-R255 WeakPolarHBondContact O-CG 3.34Å; R255-E257 HydrophobicContact CB-CG 3.73Å; R255-E257 WeakPolarHBondContact CD-OE1 3.39Å; R255-E257 IonicContact CZ-OE1 3.52Å; R255-E257 IonicContact NE-OE1 3.61Å; R255-E257 IonicContact NH1-OE1 3.78Å; R255-E257 PolarHBondContact NH1-OE1 3.12Å; R255-E257 PolarHBondContact O-N 3.37Å; R255-E257 VanDerWaalsContact O-N 3.15Å; R255-D258 PolarHBondContact N-OD2 3.49Å; R255-D258 VanDerWaalsContact O-CB 3.23Å; R255-D258 WeakPolarHBondContact O-CB 3.33Å; R255-D258 PolarHBondContact O-N 2.76Å; R255-V281 WeakPolarHBondContact O-CG2 3.28Å
256	F	92	Very high	93.6	Very high	89 Å²	89	42.7 Å²	42.7	39%	0.39	20%	0.196	S	C	.	.	G	3₁₀ helix	trans	-56.3	-34.1	177.9	-73.6	-64.8	0	0	0	113.7	L196 D258 S259 V281 V283 T311	L196-F256 HydrophobicContact CD1-CD1 4.17Å; L196-F256 HydrophobicContact CD1-CD2 3.56Å; L196-F256 HydrophobicContact CD1-CE1 4.2Å; L196-F256 HydrophobicContact CD1-CE2 3.61Å; L196-F256 HydrophobicContact CD1-CG 3.87Å; L196-F256 HydrophobicContact CD1-CZ 3.95Å; L196-F256 HydrophobicContact CD2-CD2 4.2Å; L196-F256 HydrophobicContact CD2-CE2 3.41Å; L196-F256 VanDerWaalsContact CD2-CE2 3.41Å; L196-F256 HydrophobicContact CD2-CZ 3.64Å; L196-F256 HydrophobicContact CG-CE2 4.09Å; L196-F256 HydrophobicContact CG-CZ 4.23Å; F256-D258 PolarHBondContact O-N 3.41Å; F256-S259 WeakPolarHBondContact O-CB 3.4Å; F256-S259 PolarHBondContact O-N 3Å; F256-S259 VanDerWaalsContact O-N 3.12Å; F256-S259 PolarHBondContact O-OG 3.26Å; F256-V281 HydrophobicContact CD1-CB 4.25Å; F256-V281 HydrophobicContact CD1-CG1 3.97Å; F256-V281 HydrophobicContact CE1-CG1 4.38Å; F256-V283 HydrophobicContact CE1-CG2 4.1Å; F256-V283 HydrophobicContact CZ-CG2 3.66Å; F256-T311 HydrophobicContact CE1-CG2 4.18Å
257	E	92.4	Very high	94	Very high	110 Å²	110	38.3 Å²	38.3	51%	0.514	18%	0.181	S	C	.	.	G	3₁₀ helix	trans	-63.9	-16.7	176.6	60.8	-179.7	-177.7	0	0	114.6	R255 S259	R255-E257 HydrophobicContact CB-CG 3.73Å; R255-E257 WeakPolarHBondContact CD-OE1 3.39Å; R255-E257 IonicContact CZ-OE1 3.52Å; R255-E257 IonicContact NE-OE1 3.61Å; R255-E257 IonicContact NH1-OE1 3.78Å; R255-E257 PolarHBondContact NH1-OE1 3.12Å; R255-E257 PolarHBondContact O-N 3.37Å; R255-E257 VanDerWaalsContact O-N 3.15Å; E257-S259 PolarHBondContact O-N 3.11Å
258	D	94.4	Very high	94.4	Very high	4 Å²	4	39.1 Å²	39.1	2%	0.021	19%	0.186	C	C	.	.	G	3₁₀ helix	trans	-75.3	-7.9	175.8	-58.4	-26.8	0	0	0	112	H241 I242 F251 T254 R255 F256 G260 Y262 V281	H241-D258 IonicContact CD2-OD2 2.85Å; H241-D258 IonicContact CE1-OD1 3.62Å; H241-D258 PolarHBondContact CE1-OD1 3.43Å; H241-D258 VanDerWaalsContact NE2-CG 3.28Å; H241-D258 IonicContact NE2-OD1 2.58Å; H241-D258 PolarHBondContact NE2-OD1 2.95Å; H241-D258 IonicContact NE2-OD2 3.89Å; H241-D258 PolarHBondContact NE2-OD2 2.9Å; I242-D258 HydrophobicContact CD1-CB 4.37Å; I242-D258 WeakPolarHBondContact CD1-OD1 3.46Å; F251-D258 HydrophobicContact CD1-CB 4.17Å; F251-D258 HydrophobicContact CE1-CB 3.98Å; T254-D258 HydrophobicContact CG2-CB 4.48Å; R255-D258 PolarHBondContact N-OD2 3.49Å; R255-D258 VanDerWaalsContact O-CB 3.23Å; R255-D258 WeakPolarHBondContact O-CB 3.33Å; R255-D258 PolarHBondContact O-N 2.76Å; F256-D258 PolarHBondContact O-N 3.41Å; D258-G260 PolarHBondContact O-N 2.91Å; D258-Y262 WeakPolarHBondContact O-CE2 3.33Å; D258-Y262 PolarHBondContact O-OH 3.22Å; D258-Y262 VanDerWaalsContact O-OH 3.07Å; D258-V281 HydrophobicContact CB-CG2 4.19Å
259	S	93.6	Very high	94.6	Very high	13 Å²	13	42.8 Å²	42.8	9%	0.091	21%	0.213	C	C	.	.			trans	-65.8	123.2	176.3	-56.3	0	0	0	0	111.1	I222 F256 E257 I279 V281	I222-S259 PolarHBondContact N-O 3.28Å; F256-S259 WeakPolarHBondContact O-CB 3.4Å; F256-S259 PolarHBondContact O-N 3Å; F256-S259 VanDerWaalsContact O-N 3.12Å; F256-S259 PolarHBondContact O-OG 3.26Å; E257-S259 PolarHBondContact O-N 3.11Å; S259-I279 CarbonylContact C-O 3.5Å; S259-I279 VanDerWaalsContact CA-O 3.26Å; S259-I279 WeakPolarHBondContact CA-O 3.42Å; S259-V281 WeakPolarHBondContact OG-CB 3.44Å; S259-V281 WeakPolarHBondContact OG-CG2 3.49Å; S259-V281 PolarHBondContact OG-N 2.8Å
260	G	95.2	Very high	94.6	Very high	0 Å²	0	45 Å²	45	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-178.6	-172	-174.5	0	0	0	0	0	115.7	G220 D258 I279	G220-G260 CarbonylContact O-C 3.42Å; G220-G260 VanDerWaalsContact O-CA 3.28Å; G220-G260 WeakPolarHBondContact O-CA 3.48Å; D258-G260 PolarHBondContact O-N 2.91Å; G260-I279 PolarHBondContact N-O 2.96Å; G260-I279 PolarHBondContact O-N 3.48Å
261	L	95.7	Very high	94.7	Very high	16 Å²	16	41.9 Å²	41.9	8%	0.084	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	120.5	172.4	-63.9	-177.4	0	0	0	109.2	V219 G220 V228 R230 T276 I277 K278	V219-L261 HydrophobicContact CG2-CB 3.6Å; V219-L261 WeakPolarHBondContact CG2-O 3.29Å; V219-L261 PolarHBondContact N-O 2.9Å; G220-L261 PolarHBondContact N-O 2.83Å; G220-L261 PolarHBondContact O-N 2.85Å; V228-L261 HydrophobicContact CG1-CD1 3.55Å; V228-L261 HydrophobicContact CG1-CG 3.98Å; R230-L261 HydrophobicContact CG-CD1 4.26Å; L261-T276 HydrophobicContact CB-CG2 4.01Å; L261-T276 HydrophobicContact CD2-CG2 4.44Å; L261-I277 WeakPolarHBondContact CA-O 3.24Å; L261-K278 HydrophobicContact CD2-CB 4.24Å; L261-K278 HydrophobicContact CD2-CG 4.15Å
262	Y	96	Very high	94.7	Very high	1 Å²	1	46.1 Å²	46.1	0%	0.004	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	129.7	-179.4	-70.8	-103.8	0	0	0	109.1	V217 Q218 F238 L249 F251 D258 T276 I277 I279	V217-Y262 CarbonylContact O-C 3.53Å; V217-Y262 WeakPolarHBondContact O-CA 3.34Å; Q218-Y262 HydrophobicContact CB-CD1 4.49Å; Q218-Y262 HydrophobicContact CB-CE1 4.41Å; Q218-Y262 HydrophobicContact CG-CD1 4.42Å; Q218-Y262 HydrophobicContact CG-CE1 4.18Å; Q218-Y262 HydrophobicContact CG-CE2 4.36Å; Q218-Y262 PolarHBondContact NE2-OH 2.83Å; F238-Y262 HydrophobicContact CD1-CE1 4.19Å; F238-Y262 AromaticContact CE1-CD1 3.92Å; F238-Y262 HydrophobicContact CE1-CD1 3.92Å; F238-Y262 AromaticContact CE1-CE1 3.62Å; F238-Y262 HydrophobicContact CE1-CE1 3.62Å; F238-Y262 HydrophobicContact CZ-CD1 4.4Å; F238-Y262 HydrophobicContact CZ-CE1 4.48Å; L249-Y262 HydrophobicContact CD2-CD1 3.46Å; L249-Y262 VanDerWaalsContact CD2-CD1 3.46Å; L249-Y262 HydrophobicContact CD2-CE1 3.82Å; L249-Y262 HydrophobicContact CD2-CG 4.23Å; F251-Y262 HydrophobicContact CZ-CE1 4.07Å; D258-Y262 WeakPolarHBondContact O-CE2 3.33Å; D258-Y262 PolarHBondContact O-OH 3.22Å; D258-Y262 VanDerWaalsContact O-OH 3.07Å; Y262-T276 CarbonylContact O-C 3.49Å; Y262-T276 WeakPolarHBondContact O-CA 3.47Å; Y262-I277 PolarHBondContact N-O 2.97Å; Y262-I277 WeakPolarHBondContact O-CG1 3.31Å; Y262-I277 PolarHBondContact O-N 2.96Å; Y262-I279 HydrophobicContact CD1-CD1 4.25Å; Y262-I279 HydrophobicContact CD2-CB 3.89Å; Y262-I279 HydrophobicContact CD2-CD1 3.36Å; Y262-I279 HydrophobicContact CD2-CG1 3.63Å; Y262-I279 HydrophobicContact CE2-CB 3.95Å; Y262-I279 HydrophobicContact CE2-CD1 3.71Å; Y262-I279 HydrophobicContact CE2-CG1 4.11Å; Y262-I279 HydrophobicContact CG-CD1 3.66Å; Y262-I279 HydrophobicContact CG-CG1 4.27Å
263	M	96.1	Very high	94.9	Very high	29 Å²	29	44.2 Å²	44.2	14%	0.143	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	122.2	-179.2	-176.5	172.6	65.9	0	0	109.8	V217 V219 V265 N274 V275	V217-M263 HydrophobicContact CG2-CB 3.87Å; V217-M263 HydrophobicContact CG2-CE 3.58Å; V217-M263 HydrophobicContact CG2-CG 4.48Å; V217-M263 PolarHBondContact N-O 2.01Å; V217-M263 PolarHBondContact O-N 2.92Å; V219-M263 HydrophobicContact CG1-CB 3.86Å; V219-M263 HydrophobicContact CG1-CE 3.81Å; V219-M263 HydrophobicContact CG1-SD 4.35Å; V219-M263 HydrophobicContact CG2-CB 4.38Å; M263-V265 HydrophobicContact CE-CG2 3.95Å; M263-V265 HydrophobicContact CG-CG2 4.17Å; M263-N274 HydrophobicContact CG-CB 4Å; M263-N274 HydrophobicContact SD-CB 3.9Å; M263-V275 CarbonylContact C-O 3.5Å; M263-V275 VanDerWaalsContact CA-O 3.26Å; M263-V275 WeakPolarHBondContact CA-O 3.39Å
264	C	95.3	Very high	95	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	131.5	166.2	-177.5	0	0	0	0	109.1	F185 C204 W216 N274 V275	F185-C264 HydrophobicContact CE1-CB 4.36Å; C204-C264 HydrophobicContact CB-CB 3.72Å; C204-C264 WeakPolarHBondContact CB-SG 3.48Å; C204-C264 WeakPolarHBondContact SG-CB 3.35Å; C204-C264 CovalentContact SG-SG 2.01Å; C204-C264 PolarHBondContact SG-SG 2.85Å; W216-C264 HydrophobicContact CD2-CB 3.96Å; W216-C264 HydrophobicContact CE3-CB 3.84Å; W216-C264 HydrophobicContact CH2-CB 3.82Å; W216-C264 HydrophobicContact CZ2-CB 3.97Å; W216-C264 HydrophobicContact CZ3-CB 3.75Å; C264-N274 CarbonylContact O-C 3.39Å; C264-N274 WeakPolarHBondContact O-CA 3.46Å; C264-V275 HydrophobicContact CB-CG1 3.98Å; C264-V275 PolarHBondContact N-O 3.37Å; C264-V275 PolarHBondContact O-N 2.8Å
265	V	96.4	Very high	94.9	Very high	31 Å²	31	43.6 Å²	43.6	19%	0.188	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	126.1	177.2	-174.7	0	0	0	0	108.3	V214 K215 V217 M263 V267 V272 N274	V214-V265 CarbonylContact C-O 3.59Å; V214-V265 VanDerWaalsContact CA-O 3.31Å; V214-V265 WeakPolarHBondContact CA-O 3.24Å; K215-V265 PolarHBondContact N-O 2.98Å; K215-V265 PolarHBondContact O-N 3.18Å; V217-V265 HydrophobicContact CG2-CG2 4.46Å; M263-V265 HydrophobicContact CE-CG2 3.95Å; M263-V265 HydrophobicContact CG-CG2 4.17Å; V265-V267 HydrophobicContact CG1-CG2 4.33Å; V265-V272 HydrophobicContact CG1-CG1 3.75Å; V265-N274 HydrophobicContact CG2-CB 4.11Å
266	A	96.6	Very high	94.8	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	132.7	173.4	0	0	0	0	0	110.6	F185 A206 K213 V214 V272 I273	F185-A266 HydrophobicContact CE1-CB 3.76Å; F185-A266 HydrophobicContact CZ-CB 4.02Å; A206-A266 HydrophobicContact CB-CB 3.44Å; A206-A266 VanDerWaalsContact CB-CB 3.44Å; K213-A266 CarbonylContact O-C 3.53Å; K213-A266 WeakPolarHBondContact O-CA 3.33Å; V214-A266 HydrophobicContact CG1-CB 3.76Å; A266-V272 WeakPolarHBondContact O-CA 3.33Å; A266-I273 HydrophobicContact CB-CD1 4.33Å; A266-I273 HydrophobicContact CB-CG1 3.78Å; A266-I273 PolarHBondContact N-O 2.89Å; A266-I273 PolarHBondContact O-N 3.47Å
267	V	96.3	Very high	94.6	Very high	75 Å²	75	37 Å²	37	46%	0.455	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	127.5	-179.1	-176.4	0	0	0	0	109	A212 K213 V265 V272	A212-V267 CarbonylContact C-O 3.57Å; A212-V267 WeakPolarHBondContact CA-O 3.41Å; K213-V267 PolarHBondContact N-O 3.44Å; K213-V267 PolarHBondContact O-N 3.28Å; V265-V267 HydrophobicContact CG1-CG2 4.33Å; V267-V272 HydrophobicContact CG1-CG2 4.17Å; V267-V272 HydrophobicContact CG2-CG1 4.27Å; V267-V272 HydrophobicContact CG2-CG2 4.16Å
268	S	96.2	Very high	94.4	Very high	17 Å²	17	34.3 Å²	34.3	12%	0.119	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	172.6	174.5	-175	0	0	0	0	109.7	A210 P211 Q270 G271	A210-S268 PolarHBondContact O-OG 2.91Å; P211-S268 WeakPolarHBondContact O-CB 3.23Å; P211-S268 PolarHBondContact O-OG 2.9Å; S268-Q270 PolarHBondContact O-N 2.9Å; S268-G271 PolarHBondContact N-O 2.85Å; S268-G271 PolarHBondContact O-N 3.28Å; S268-G271 VanDerWaalsContact O-O 3.1Å
269	S	95.9	Very high	94.3	Very high	105 Å²	105	34.1 Å²	34.1	73%	0.734	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-16.9	168.6	55.5	0	0	0	0	112.8	A210 G271	A210-S269 WeakPolarHBondContact CB-OG 3.36Å; S269-G271 VanDerWaalsContact C-N 3.31Å
270	Q	92.6	Very high	93.9	Very high	47 Å²	47	35.3 Å²	35.3	22%	0.22	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-18.4	172	-70.7	179.7	79.7	0	0	114.1	E181 L183 Y209 A210 S268	E181-Q270 PolarHBondContact O-OE1 3.37Å; L183-Q270 HydrophobicContact CB-CB 3.88Å; L183-Q270 HydrophobicContact CD2-CB 4.35Å; Y209-Q270 HydrophobicContact CD1-CG 3.9Å; Y209-Q270 HydrophobicContact CE1-CG 3.24Å; Y209-Q270 HydrophobicContact CE2-CG 4.11Å; Y209-Q270 WeakPolarHBondContact OH-CG 3.43Å; A210-Q270 HydrophobicContact CB-CG 4.22Å; A210-Q270 VanDerWaalsContact N-NE2 3.19Å; S268-Q270 PolarHBondContact O-N 2.9Å
271	G	95	Very high	93.7	Very high	32 Å²	32	35.8 Å²	35.8	33%	0.33	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	130.3	-163.5	-174.3	0	0	0	0	0	113.2	L183 S268 S269	L183-G271 WeakPolarHBondContact CD2-O 3.47Å; S268-G271 PolarHBondContact N-O 2.85Å; S268-G271 PolarHBondContact O-N 3.28Å; S268-G271 VanDerWaalsContact O-O 3.1Å; S269-G271 VanDerWaalsContact C-N 3.31Å
272	V	96.2	Very high	93.2	Very high	92 Å²	92	35.5 Å²	35.5	56%	0.558	21%	0.21	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-123.2	128.9	-177.8	-176.9	0	0	0	0	109.6	V265 A266 V267	V265-V272 HydrophobicContact CG1-CG1 3.75Å; A266-V272 WeakPolarHBondContact O-CA 3.33Å; V267-V272 HydrophobicContact CG1-CG2 4.17Å; V267-V272 HydrophobicContact CG2-CG1 4.27Å; V267-V272 HydrophobicContact CG2-CG2 4.16Å
273	I	96.2	Very high	92.6	Very high	43 Å²	43	36.6 Å²	36.6	22%	0.221	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	151.8	172.4	60.9	169.3	0	0	0	109.7	L183 F185 A266	L183-I273 HydrophobicContact CD1-CD1 4.5Å; L183-I273 HydrophobicContact CD2-CD1 4.36Å; L183-I273 HydrophobicContact CD2-CG1 3.98Å; L183-I273 HydrophobicContact CD2-CG2 4.2Å; L183-I273 HydrophobicContact CG-CD1 3.8Å; L183-I273 HydrophobicContact CG-CG1 3.98Å; L183-I273 HydrophobicContact CG-CG2 4.44Å; F185-I273 HydrophobicContact CD2-CD1 3.74Å; F185-I273 HydrophobicContact CD2-CG1 4.34Å; F185-I273 HydrophobicContact CE1-CD1 4.41Å; F185-I273 HydrophobicContact CE1-CG1 4.49Å; F185-I273 HydrophobicContact CE2-CB 4.11Å; F185-I273 HydrophobicContact CE2-CD1 3.62Å; F185-I273 HydrophobicContact CE2-CG1 3.7Å; F185-I273 HydrophobicContact CG-CD1 4.19Å; F185-I273 HydrophobicContact CZ-CB 4.49Å; F185-I273 HydrophobicContact CZ-CD1 3.99Å; F185-I273 HydrophobicContact CZ-CG1 3.79Å; A266-I273 HydrophobicContact CB-CD1 4.33Å; A266-I273 HydrophobicContact CB-CG1 3.78Å; A266-I273 PolarHBondContact N-O 2.89Å; A266-I273 PolarHBondContact O-N 3.47Å
274	N	95.7	Very high	91.8	Very high	96 Å²	96	36 Å²	36	51%	0.513	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	155.8	176.6	59.4	53.5	0	0	0	111.5	F185 M263 C264 V265	F185-N274 VanDerWaalsContact CE2-C 3.47Å; M263-N274 HydrophobicContact CG-CB 4Å; M263-N274 HydrophobicContact SD-CB 3.9Å; C264-N274 CarbonylContact O-C 3.39Å; C264-N274 WeakPolarHBondContact O-CA 3.46Å; V265-N274 HydrophobicContact CG2-CB 4.11Å
275	V	90.7	Very high	91.1	Very high	6 Å²	6	36 Å²	36	4%	0.036	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	126.8	175.9	60.7	0	0	0	0	108.4	F185 P189 M263 C264	F185-V275 HydrophobicContact CD1-CG1 4.2Å; F185-V275 HydrophobicContact CD2-CB 3.93Å; F185-V275 HydrophobicContact CD2-CG1 3.76Å; F185-V275 HydrophobicContact CE1-CG1 4.05Å; F185-V275 HydrophobicContact CE2-CB 3.73Å; F185-V275 HydrophobicContact CE2-CG1 3.6Å; F185-V275 HydrophobicContact CG-CG1 4.06Å; F185-V275 HydrophobicContact CZ-CB 4.31Å; F185-V275 HydrophobicContact CZ-CG1 3.75Å; P189-V275 HydrophobicContact CB-CG1 4.1Å; P189-V275 HydrophobicContact CG-CG1 3.73Å; M263-V275 CarbonylContact C-O 3.5Å; M263-V275 VanDerWaalsContact CA-O 3.26Å; M263-V275 WeakPolarHBondContact CA-O 3.39Å; C264-V275 HydrophobicContact CB-CG1 3.98Å; C264-V275 PolarHBondContact N-O 3.37Å; C264-V275 PolarHBondContact O-N 2.8Å
276	T	92.7	Very high	90.4	Very high	58 Å²	58	37.2 Å²	37.2	36%	0.356	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	129.4	174.8	-57.1	0	0	0	0	109	V219 L261 Y262	V219-T276 HydrophobicContact CG2-CG2 3.87Å; L261-T276 HydrophobicContact CB-CG2 4.01Å; L261-T276 HydrophobicContact CD2-CG2 4.44Å; Y262-T276 CarbonylContact O-C 3.49Å; Y262-T276 WeakPolarHBondContact O-CA 3.47Å
277	I	87.6	Confident	89.8	Confident	3 Å²	3	39 Å²	39	2%	0.015	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	151.4	173	63.4	163.4	0	0	0	110.2	P189 D191 R192 I202 W216 L261 Y262 I279	P189-I277 HydrophobicContact CB-CG2 3.74Å; D191-I277 WeakPolarHBondContact OD1-CA 3.3Å; R192-I277 HydrophobicContact CG-CD1 4.42Å; I202-I277 HydrophobicContact CD1-CD1 4.4Å; I202-I277 HydrophobicContact CG2-CD1 3.84Å; W216-I277 HydrophobicContact CH2-CD1 3.54Å; W216-I277 HydrophobicContact CH2-CG1 3.94Å; W216-I277 HydrophobicContact CZ3-CD1 3.87Å; W216-I277 HydrophobicContact CZ3-CG1 3.83Å; L261-I277 WeakPolarHBondContact CA-O 3.24Å; Y262-I277 PolarHBondContact N-O 2.97Å; Y262-I277 WeakPolarHBondContact O-CG1 3.31Å; Y262-I277 PolarHBondContact O-N 2.96Å; I277-I279 HydrophobicContact CD1-CD1 4.43Å; I277-I279 HydrophobicContact CD1-CG1 4.23Å
278	K	88.1	Confident	89.3	Confident	52 Å²	52	41.3 Å²	41.3	23%	0.226	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	128.8	171.6	-161.7	-173.3	-178.2	-171.7	0	109.9	D191 R192 I222 L261 E280	D191-K278 CarbonylContact C-O 3.48Å; D191-K278 VanDerWaalsContact CA-O 3.25Å; D191-K278 WeakPolarHBondContact CA-O 3.47Å; D191-K278 HydrophobicContact CB-CB 4.11Å; D191-K278 VanDerWaalsContact CG-CB 3.44Å; D191-K278 PolarHBondContact OD1-N 3.28Å; D191-K278 WeakPolarHBondContact OD2-CB 3.48Å; R192-K278 PolarHBondContact N-O 3.23Å; I222-K278 HydrophobicContact CD1-CD 4.15Å; I222-K278 VanDerWaalsContact CD1-CE 3.48Å; I222-K278 HydrophobicContact CD1-CG 3.53Å; L261-K278 HydrophobicContact CD2-CB 4.24Å; L261-K278 HydrophobicContact CD2-CG 4.15Å; K278-E280 HydrophobicContact CD-CG 4.14Å; K278-E280 WeakPolarHBondContact CD-OE1 3.28Å; K278-E280 WeakPolarHBondContact CE-OE1 3.32Å; K278-E280 HydrophobicContact CG-CG 4.34Å; K278-E280 IonicContact NZ-OE1 3.7Å; K278-E280 PolarHBondContact NZ-OE1 2.94Å
279	I	91.3	Very high	88.8	Confident	0 Å²	0	44.8 Å²	44.8	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	115.4	170.3	-61.6	-173.5	0	0	0	107.5	R192 L194 I202 L249 F251 S259 G260 Y262 I277	R192-I279 WeakPolarHBondContact O-CA 3.06Å; L194-I279 HydrophobicContact CD1-CG2 3.63Å; L194-I279 HydrophobicContact CG-CG2 3.84Å; I202-I279 HydrophobicContact CD1-CD1 3.3Å; I202-I279 HydrophobicContact CD1-CG1 4.01Å; L249-I279 HydrophobicContact CD2-CD1 4.42Å; F251-I279 HydrophobicContact CE2-CD1 3.92Å; F251-I279 HydrophobicContact CZ-CD1 3.55Å; S259-I279 CarbonylContact C-O 3.5Å; S259-I279 VanDerWaalsContact CA-O 3.26Å; S259-I279 WeakPolarHBondContact CA-O 3.42Å; G260-I279 PolarHBondContact N-O 2.96Å; G260-I279 PolarHBondContact O-N 3.48Å; Y262-I279 HydrophobicContact CD1-CD1 4.25Å; Y262-I279 HydrophobicContact CD2-CB 3.89Å; Y262-I279 HydrophobicContact CD2-CD1 3.36Å; Y262-I279 HydrophobicContact CD2-CG1 3.63Å; Y262-I279 HydrophobicContact CE2-CB 3.95Å; Y262-I279 HydrophobicContact CE2-CD1 3.71Å; Y262-I279 HydrophobicContact CE2-CG1 4.11Å; Y262-I279 HydrophobicContact CG-CD1 3.66Å; Y262-I279 HydrophobicContact CG-CG1 4.27Å; I277-I279 HydrophobicContact CD1-CD1 4.43Å; I277-I279 HydrophobicContact CD1-CG1 4.23Å
280	E	86.5	Confident	88.3	Confident	39 Å²	39	42.7 Å²	42.7	18%	0.182	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	129.7	172.8	-71.9	179.2	-132.4	0	0	109	R192 K193 L194 I222 K278 K350	R192-E280 PolarHBondContact O-N 3.18Å; K193-E280 CarbonylContact C-O 3.19Å; K193-E280 WeakPolarHBondContact CA-O 3.46Å; L194-E280 PolarHBondContact N-O 2.87Å; I222-E280 HydrophobicContact CD1-CG 4.36Å; K278-E280 HydrophobicContact CD-CG 4.14Å; K278-E280 WeakPolarHBondContact CD-OE1 3.28Å; K278-E280 WeakPolarHBondContact CE-OE1 3.32Å; K278-E280 HydrophobicContact CG-CG 4.34Å; K278-E280 IonicContact NZ-OE1 3.7Å; K278-E280 PolarHBondContact NZ-OE1 2.94Å; E280-K350 IonicContact OE1-NZ 2.84Å; E280-K350 IonicContact OE2-NZ 2.99Å; E280-K350 PolarHBondContact OE2-NZ 3Å
281	V	90.6	Very high	87.7	Confident	9 Å²	9	40.7 Å²	40.7	6%	0.055	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	126.1	171.9	-177.8	0	0	0	0	109.4	L194 L196 T254 R255 F256 D258 S259	L194-V281 HydrophobicContact CB-CG2 4.43Å; L194-V281 CarbonylContact O-C 3.55Å; L194-V281 WeakPolarHBondContact O-CA 3.39Å; L196-V281 HydrophobicContact CB-CG1 4.32Å; L196-V281 HydrophobicContact CD1-CG1 3.97Å; T254-V281 HydrophobicContact CG2-CB 4.42Å; T254-V281 HydrophobicContact CG2-CG1 3.91Å; T254-V281 HydrophobicContact CG2-CG2 3.61Å; R255-V281 WeakPolarHBondContact O-CG2 3.28Å; F256-V281 HydrophobicContact CD1-CB 4.25Å; F256-V281 HydrophobicContact CD1-CG1 3.97Å; F256-V281 HydrophobicContact CE1-CG1 4.38Å; D258-V281 HydrophobicContact CB-CG2 4.19Å; S259-V281 WeakPolarHBondContact OG-CB 3.44Å; S259-V281 WeakPolarHBondContact OG-CG2 3.49Å; S259-V281 PolarHBondContact OG-N 2.8Å
282	I	84.3	Confident	87	Confident	10 Å²	10	42.3 Å²	42.3	5%	0.051	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	162.6	-169.4	51.7	156	0	0	0	110.5	K193 L194 E195 L196 T311	K193-I282 HydrophobicContact CB-CD1 3.63Å; K193-I282 HydrophobicContact CB-CG1 4Å; K193-I282 HydrophobicContact CB-CG2 4.46Å; K193-I282 HydrophobicContact CD-CD1 4.42Å; L194-I282 WeakPolarHBondContact O-CG1 3.29Å; L194-I282 PolarHBondContact O-N 3.22Å; E195-I282 WeakPolarHBondContact CA-O 3.34Å; L196-I282 PolarHBondContact N-O 2.89Å; I282-T311 WeakPolarHBondContact CA-O 3.38Å; I282-T311 WeakPolarHBondContact CB-O 3.41Å
283	V	84.7	Confident	86.6	Confident	24 Å²	24	43.4 Å²	43.4	15%	0.145	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	116.5	169.1	-179.7	0	0	0	0	106.9	L196 F256 G310 T311 N349	L196-V283 HydrophobicContact CB-CG2 3.86Å; L196-V283 HydrophobicContact CD2-CG2 4.01Å; F256-V283 HydrophobicContact CE1-CG2 4.1Å; F256-V283 HydrophobicContact CZ-CG2 3.66Å; V283-G310 CarbonylContact O-C 3.55Å; V283-G310 WeakPolarHBondContact O-CA 3.42Å; V283-T311 PolarHBondContact N-O 3.49Å; V283-T311 PolarHBondContact O-N 3.36Å; V283-N349 PolarHBondContact O-ND2 3.24Å
284	S	79.7	Confident	86.2	Confident	16 Å²	16	43.1 Å²	43.1	11%	0.112	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.9	154.4	175.1	-55.2	0	0	0	0	110.8	E195 V286	E195-S284 VanDerWaalsContact OE1-CB 3.3Å; E195-S284 WeakPolarHBondContact OE1-CB 3.44Å; E195-S284 PolarHBondContact OE1-OG 3.3Å; S284-V286 PolarHBondContact O-N 3.45Å
285	P	80.5	Confident	85.8	Confident	0 Å²	0	42.5 Å²	42.5	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.7	133.7	176.8	-21.2	34	0	0	0	110.4	V308 R309 P314 A347 N349 G352 K354	P285-V308 HydrophobicContact CB-CG1 3.81Å; P285-R309 CarbonylContact C-O 3.58Å; P285-R309 VanDerWaalsContact CA-O 3.31Å; P285-R309 WeakPolarHBondContact CA-O 3.47Å; P285-P314 HydrophobicContact CB-CB 4.12Å; P285-P314 HydrophobicContact CB-CG 3.9Å; P285-P314 HydrophobicContact CG-CB 4.18Å; P285-P314 HydrophobicContact CG-CG 4.09Å; P285-A347 HydrophobicContact CB-CB 4.21Å; P285-N349 WeakPolarHBondContact CD-OD1 3.49Å; P285-N349 HydrophobicContact CG-CB 4.47Å; P285-G352 WeakPolarHBondContact CD-O 3.43Å; P285-G352 VanDerWaalsContact CG-O 3.26Å; P285-G352 WeakPolarHBondContact CG-O 3.05Å; P285-K354 HydrophobicContact CB-CB 4.5Å; P285-K354 HydrophobicContact CB-CG 4.23Å; P285-K354 WeakPolarHBondContact O-CG 3.37Å
286	V	81.5	Confident	85.6	Confident	57 Å²	57	43.1 Å²	43.1	35%	0.345	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	125	173.6	179.6	0	0	0	0	107.6	S284 E288 V308 R309	S284-V286 PolarHBondContact O-N 3.45Å; V286-E288 PolarHBondContact O-N 3.48Å; V286-V308 WeakPolarHBondContact O-CA 3.45Å; V286-V308 WeakPolarHBondContact O-CG1 3.32Å; V286-R309 HydrophobicContact CB-CG 3.93Å; V286-R309 PolarHBondContact N-O 3.49Å; V286-R309 PolarHBondContact O-N 3.32Å
287	F	83.5	Confident	85.2	Confident	39 Å²	39	44.8 Å²	44.8	17%	0.171	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	120.3	174.1	-73.5	-80.2	0	0	0	109.6	V290 C306 V308 C345 A347 K354 H356	F287-V290 HydrophobicContact CB-CG1 3.59Å; F287-V290 HydrophobicContact CD1-CG1 4.17Å; F287-V290 HydrophobicContact CG-CG1 3.87Å; F287-C306 HydrophobicContact CD1-CB 4.47Å; F287-C306 HydrophobicContact CE1-CB 4.26Å; F287-V308 HydrophobicContact CD1-CG2 3.58Å; F287-V308 HydrophobicContact CE1-CG2 3.65Å; F287-V308 HydrophobicContact CG-CG2 4.4Å; F287-C345 HydrophobicContact CE1-CB 4.4Å; F287-A347 HydrophobicContact CZ-CB 4.4Å; F287-K354 HydrophobicContact CD2-CB 4.08Å; F287-K354 HydrophobicContact CE2-CB 3.55Å; F287-K354 HydrophobicContact CZ-CB 4.45Å; F287-H356 HydrophobicContact CD2-CB 4.37Å; F287-H356 HydrophobicContact CE1-CB 4.13Å; F287-H356 HydrophobicContact CE2-CB 3.93Å; F287-H356 HydrophobicContact CZ-CB 3.83Å
288	E	85.1	Confident	84.7	Confident	123 Å²	123	46.7 Å²	46.7	58%	0.575	26%	0.256	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.8	-37.6	165.8	-64.1	-179.2	157.3	0	0	110.1	V286 S307 R309	V286-E288 PolarHBondContact O-N 3.48Å; E288-S307 PolarHBondContact N-O 3.34Å; E288-S307 PolarHBondContact OE2-OG 3.46Å; E288-R309 HydrophobicContact CG-CB 4.17Å; E288-R309 HydrophobicContact CG-CG 3.94Å; E288-R309 WeakPolarHBondContact OE1-CB 3.41Å; E288-R309 WeakPolarHBondContact OE1-CD 3.45Å
289	L	85.4	Confident	84.1	Confident	89 Å²	89	49.6 Å²	49.6	47%	0.466	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	125.4	177.1	-179.1	62.4	0	0	0	109.3	C306 S307	L289-C306 WeakPolarHBondContact O-CA 3.42Å; L289-S307 PolarHBondContact N-O 2.93Å; L289-S307 VanDerWaalsContact N-O 3.09Å; L289-S307 PolarHBondContact O-N 2.8Å
290	V	86.1	Confident	83.6	Confident	61 Å²	61	54 Å²	54	37%	0.37	29%	0.291	S	S	.	.	P	Polyproline II helix	trans	-102	150.9	178.6	-66.1	0	0	0	0	110.9	F287 A292 H356	F287-V290 HydrophobicContact CB-CG1 3.59Å; F287-V290 HydrophobicContact CD1-CG1 4.17Å; F287-V290 HydrophobicContact CG-CG1 3.87Å; V290-A292 PolarHBondContact O-N 3.3Å; V290-H356 HydrophobicContact CB-CB 4.49Å; V290-H356 HydrophobicContact CG1-CB 4.26Å; V290-H356 WeakPolarHBondContact CG1-ND1 3.33Å
291	P	79.3	Confident	83.5	Confident	6 Å²	6	55.7 Å²	55.7	4%	0.039	30%	0.301	C	S	.	.	P	Polyproline II helix	trans	-58.3	131.7	173.2	6.1	-11.8	0	0	0	111.9	L304 W318 C345 H356	P291-L304 HydrophobicContact CB-CD2 4.36Å; P291-W318 HydrophobicContact CB-CH2 3.61Å; P291-W318 HydrophobicContact CB-CZ3 3.89Å; P291-W318 HydrophobicContact CG-CH2 3.62Å; P291-W318 HydrophobicContact CG-CZ3 3.76Å; P291-C345 HydrophobicContact CG-CB 4.18Å; P291-H356 HydrophobicContact CG-CB 4.41Å
292	A	81.5	Confident	83.2	Confident	65 Å²	65	55.4 Å²	55.4	54%	0.537	30%	0.299	S	S	.	.	P	Polyproline II helix	trans	-77.1	151.9	166.1	0	0	0	0	0	111.1	V290 L304	V290-A292 PolarHBondContact O-N 3.3Å; A292-L304 VanDerWaalsContact O-CD2 3.29Å; A292-L304 WeakPolarHBondContact O-CD2 3.49Å
293	N	87.8	Confident	83.1	Confident	116 Å²	116	62.5 Å²	62.5	62%	0.62	33%	0.326	S	S	*	.	P	Polyproline II helix	trans	-69.8	131.6	164.8	-65.4	-24.2	0	0	0	108.9	L359	N293-L359 CarbonylContact C-O 3.58Å; N293-L359 WeakPolarHBondContact CA-O 3.3Å; N293-L359 HydrophobicContact CB-CB 4.25Å; N293-L359 WeakPolarHBondContact OD1-CB 3.42Å; N293-L359 PolarHBondContact OD1-N 2.88Å
294	V	87.1	Confident	83.1	Confident	36 Å²	36	61.5 Å²	61.5	22%	0.218	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	140.1	-176.5	-71	0	0	0	0	110.4	V302 L304 L359 V360 C361	V294-V302 HydrophobicContact CG2-CG1 3.79Å; V294-L304 HydrophobicContact CG1-CD2 4Å; V294-L304 HydrophobicContact CG2-CD2 3.9Å; V294-L304 HydrophobicContact CG2-CG 4.46Å; V294-L359 PolarHBondContact N-O 2.86Å; V294-V360 HydrophobicContact CG2-CB 4.26Å; V294-V360 HydrophobicContact CG2-CG1 4.32Å; V294-V360 HydrophobicContact CG2-CG2 3.79Å; V294-C361 PolarHBondContact O-N 3.27Å
295	T	88.5	Confident	83.3	Confident	83 Å²	83	64.6 Å²	64.6	51%	0.509	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	115.8	172.8	-57.9	0	0	0	0	108.1	C361 K363	T295-C361 CarbonylContact C-O 3.52Å; T295-C361 VanDerWaalsContact CA-O 3.27Å; T295-C361 WeakPolarHBondContact CA-O 3.03Å; T295-C361 HydrophobicContact CG2-CB 4.04Å; T295-K363 HydrophobicContact CG2-CD 3.81Å; T295-K363 VanDerWaalsContact CG2-CE 3.42Å; T295-K363 HydrophobicContact CG2-CG 4Å
296	V	86.2	Confident	83.4	Confident	20 Å²	20	64.6 Å²	64.6	12%	0.121	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	157	-177	-64.1	0	0	0	0	110.9	Q300 V302 P335 C361 I362 K363	V296-Q300 HydrophobicContact CB-CB 4.11Å; V296-V302 HydrophobicContact CB-CG2 4.17Å; V296-V302 HydrophobicContact CG1-CG2 3.73Å; V296-V302 HydrophobicContact CG2-CG2 3.46Å; V296-V302 VanDerWaalsContact CG2-CG2 3.46Å; V296-P335 HydrophobicContact CG2-CG 4.46Å; V296-C361 PolarHBondContact N-O 3.4Å; V296-I362 HydrophobicContact CG2-CG1 4.05Å; V296-I362 CarbonylContact O-C 3.5Å; V296-I362 WeakPolarHBondContact O-CA 2.87Å; V296-K363 PolarHBondContact O-N 3.49Å
297	E	83.9	Confident	83.7	Confident	93 Å²	93	63.4 Å²	63.4	44%	0.435	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	157.1	167.5	-60.4	-172.5	160.4	0	0	110.7	E299 Q300 K363	E297-E299 PolarHBondContact O-N 3.03Å; E297-Q300 HydrophobicContact CB-CG 4.16Å; E297-Q300 WeakPolarHBondContact O-CB 3.22Å; E297-Q300 PolarHBondContact O-N 2.95Å; E297-K363 CarbonylContact C-O 3.48Å; E297-K363 WeakPolarHBondContact CA-O 3.49Å
298	E	77.5	Confident	83.9	Confident	43 Å²	43	62.3 Å²	62.3	20%	0.201	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52	137.3	173.2	-169.4	176	-159.8	0	0	110.7	Q300 I362 K363 K365	E298-Q300 VanDerWaalsContact C-N 3.27Å; E298-Q300 PolarHBondContact O-N 3.03Å; E298-I362 HydrophobicContact CB-CG2 4.41Å; E298-K363 PolarHBondContact N-O 2.9Å; E298-K365 HydrophobicContact CB-CG 4.45Å; E298-K365 WeakPolarHBondContact O-CE 3.37Å
299	E	74.6	Confident	84	Confident	112 Å²	112	62.9 Å²	62.9	52%	0.523	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.3	1.5	-173.5	-55.5	167.3	-163.3	0	0	116.6	E297 T334 K365	E297-E299 PolarHBondContact O-N 3.03Å; E299-T334 HydrophobicContact CB-CG2 4.45Å; E299-K365 IonicContact OE1-NZ 2.7Å; E299-K365 IonicContact OE2-NZ 3.43Å; E299-K365 PolarHBondContact OE2-NZ 3.27Å
300	Q	81.9	Confident	84.1	Confident	94 Å²	94	59.3 Å²	59.3	44%	0.439	31%	0.305	S	S	.	.			trans	-86.1	125.9	171.8	-69.6	-175.8	-29.3	0	0	111.8	V296 E297 E298 P335	V296-Q300 HydrophobicContact CB-CB 4.11Å; E297-Q300 HydrophobicContact CB-CG 4.16Å; E297-Q300 WeakPolarHBondContact O-CB 3.22Å; E297-Q300 PolarHBondContact O-N 2.95Å; E298-Q300 VanDerWaalsContact C-N 3.27Å; E298-Q300 PolarHBondContact O-N 3.03Å; Q300-P335 WeakPolarHBondContact O-CD 3.42Å; Q300-P335 WeakPolarHBondContact O-CG 3.3Å
301	D	83.9	Confident	83.8	Confident	73 Å²	73	59.4 Å²	59.4	39%	0.39	31%	0.306	S	S	.	.			trans	-61.8	136.7	-179	-63.2	-17.3	0	0	0	112.6	L332 L333 T334	D301-L332 WeakPolarHBondContact CA-O 3.33Å; D301-L333 HydrophobicContact CB-CD2 4.29Å; D301-L333 VanDerWaalsContact OD1-CA 3.27Å; D301-L333 WeakPolarHBondContact OD1-CA 3.4Å; D301-L333 WeakPolarHBondContact OD2-CD2 3.04Å; D301-T334 PolarHBondContact OD1-N 3.19Å
302	V	84.8	Confident	83.9	Confident	3 Å²	3	61.5 Å²	61.5	2%	0.018	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	130.5	178.8	175.8	0	0	0	0	110.5	V294 V296 L304 V331 L332 P335 V360	V294-V302 HydrophobicContact CG2-CG1 3.79Å; V296-V302 HydrophobicContact CB-CG2 4.17Å; V296-V302 HydrophobicContact CG1-CG2 3.73Å; V296-V302 HydrophobicContact CG2-CG2 3.46Å; V296-V302 VanDerWaalsContact CG2-CG2 3.46Å; V302-L304 HydrophobicContact CG1-CG 4.07Å; V302-V331 WeakPolarHBondContact O-CA 3.41Å; V302-L332 HydrophobicContact CB-CB 4.11Å; V302-L332 HydrophobicContact CB-CD1 4.21Å; V302-L332 HydrophobicContact CB-CG 4.4Å; V302-L332 HydrophobicContact CG1-CD1 4.38Å; V302-L332 PolarHBondContact N-O 2.81Å; V302-L332 PolarHBondContact O-N 3.28Å; V302-P335 HydrophobicContact CG2-CG 4.08Å; V302-V360 HydrophobicContact CG1-CG1 4.42Å; V302-V360 HydrophobicContact CG1-CG2 4.2Å; V302-V360 HydrophobicContact CG2-CG1 4.13Å
303	W	81.4	Confident	83.9	Confident	160 Å²	160	68.5 Å²	68.5	61%	0.606	33%	0.332	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-119.2	111.8	175.7	-57.6	79.3	0	0	0	109.6	T329 V331	W303-T329 HydrophobicContact CE3-CG2 4.15Å; W303-V331 HydrophobicContact CD2-CG1 4.25Å; W303-V331 HydrophobicContact CD2-CG2 4.33Å; W303-V331 HydrophobicContact CE3-CB 4.43Å; W303-V331 HydrophobicContact CE3-CG1 4.16Å; W303-V331 HydrophobicContact CE3-CG2 3.53Å; W303-V331 HydrophobicContact CH2-CG1 3.91Å; W303-V331 HydrophobicContact CH2-CG2 4.13Å; W303-V331 HydrophobicContact CZ2-CG1 4Å; W303-V331 HydrophobicContact CZ3-CB 4.37Å; W303-V331 HydrophobicContact CZ3-CG1 4Å; W303-V331 HydrophobicContact CZ3-CG2 3.41Å; W303-V331 VanDerWaalsContact CZ3-CG2 3.41Å
304	L	85.2	Confident	83.5	Confident	3 Å²	3	63.5 Å²	63.5	2%	0.016	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	121.5	172	-67.9	179	0	0	0	109	P291 A292 V294 V302 W318 T329 L330 V360	P291-L304 HydrophobicContact CB-CD2 4.36Å; A292-L304 VanDerWaalsContact O-CD2 3.29Å; A292-L304 WeakPolarHBondContact O-CD2 3.49Å; V294-L304 HydrophobicContact CG1-CD2 4Å; V294-L304 HydrophobicContact CG2-CD2 3.9Å; V294-L304 HydrophobicContact CG2-CG 4.46Å; V302-L304 HydrophobicContact CG1-CG 4.07Å; L304-W318 HydrophobicContact CB-CH2 3.56Å; L304-W318 HydrophobicContact CB-CZ2 4.05Å; L304-W318 HydrophobicContact CB-CZ3 3.89Å; L304-W318 HydrophobicContact CD1-CZ3 4.12Å; L304-W318 VanDerWaalsContact O-CZ2 3.26Å; L304-W318 WeakPolarHBondContact O-CZ2 3.48Å; L304-T329 CarbonylContact O-C 3.57Å; L304-T329 WeakPolarHBondContact O-CA 3.38Å; L304-L330 HydrophobicContact CB-CB 4.24Å; L304-L330 HydrophobicContact CD1-CD2 4.18Å; L304-L330 PolarHBondContact N-O 2.8Å; L304-L330 PolarHBondContact O-N 3.05Å; L304-V360 HydrophobicContact CD1-CG2 3.61Å
305	H	84.2	Confident	83.1	Confident	80 Å²	80	67 Å²	67	37%	0.37	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	140.9	179.7	-174.6	66.8	0	0	0	110.8	N328 T329	H305-N328 PolarHBondContact ND1-O 2.8Å; H305-T329 HydrophobicContact CB-CG2 4.43Å; H305-T329 PolarHBondContact ND1-OG1 2.7Å
306	C	82.3	Confident	82.5	Confident	0 Å²	0	63.4 Å²	63.4	0%	0	31%	0.305	C	S	.	.			trans	-129.5	130.3	169.3	51.5	0	0	0	0	111.1	F287 L289 V316 W318 N328 C345	F287-C306 HydrophobicContact CD1-CB 4.47Å; F287-C306 HydrophobicContact CE1-CB 4.26Å; L289-C306 WeakPolarHBondContact O-CA 3.42Å; C306-V316 WeakPolarHBondContact SG-CG1 3.32Å; C306-W318 HydrophobicContact CB-CH2 4.35Å; C306-W318 HydrophobicContact CB-CZ2 3.98Å; C306-W318 WeakPolarHBondContact SG-CZ2 3.19Å; C306-N328 PolarHBondContact N-O 2.78Å; C306-N328 WeakPolarHBondContact O-CB 3.33Å; C306-N328 PolarHBondContact O-ND2 3.03Å; C306-C345 HydrophobicContact CB-CB 3.89Å; C306-C345 WeakPolarHBondContact CB-SG 3.49Å; C306-C345 WeakPolarHBondContact SG-CB 3.4Å; C306-C345 CovalentContact SG-SG 2.05Å; C306-C345 PolarHBondContact SG-SG 3.35Å
307	S	87.7	Confident	82.2	Confident	33 Å²	33	65 Å²	65	23%	0.231	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	132.2	172.9	-172.2	0	0	0	0	109.3	E288 L289	E288-S307 PolarHBondContact N-O 3.34Å; E288-S307 PolarHBondContact OE2-OG 3.46Å; L289-S307 PolarHBondContact N-O 2.93Å; L289-S307 VanDerWaalsContact N-O 3.09Å; L289-S307 PolarHBondContact O-N 2.8Å
308	V	86.7	Confident	81.7	Confident	15 Å²	15	60.6 Å²	60.6	9%	0.091	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	130.4	-174.6	-167.6	0	0	0	0	109.8	P285 V286 F287 P314 V316 A347	P285-V308 HydrophobicContact CB-CG1 3.81Å; V286-V308 WeakPolarHBondContact O-CA 3.45Å; V286-V308 WeakPolarHBondContact O-CG1 3.32Å; F287-V308 HydrophobicContact CD1-CG2 3.58Å; F287-V308 HydrophobicContact CE1-CG2 3.65Å; F287-V308 HydrophobicContact CG-CG2 4.4Å; V308-P314 HydrophobicContact CG1-CB 4.16Å; V308-P314 HydrophobicContact CG1-CG 4.03Å; V308-V316 HydrophobicContact CB-CG2 4.18Å; V308-V316 HydrophobicContact CG2-CG2 3.9Å; V308-A347 HydrophobicContact CB-CB 4.01Å; V308-A347 HydrophobicContact CG1-CB 3.63Å; V308-A347 HydrophobicContact CG2-CB 3.68Å
309	R	88.5	Confident	81.4	Confident	135 Å²	135	59.7 Å²	59.7	51%	0.509	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	155.3	171.6	65.9	-178.8	-173.2	123.2	1.2	111.3	P285 V286 E288	P285-R309 CarbonylContact C-O 3.58Å; P285-R309 VanDerWaalsContact CA-O 3.31Å; P285-R309 WeakPolarHBondContact CA-O 3.47Å; V286-R309 HydrophobicContact CB-CG 3.93Å; V286-R309 PolarHBondContact N-O 3.49Å; V286-R309 PolarHBondContact O-N 3.32Å; E288-R309 HydrophobicContact CG-CB 4.17Å; E288-R309 HydrophobicContact CG-CG 3.94Å; E288-R309 WeakPolarHBondContact OE1-CB 3.41Å; E288-R309 WeakPolarHBondContact OE1-CD 3.45Å
310	G	86.5	Confident	81	Confident	15 Å²	15	55.6 Å²	55.6	16%	0.155	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	167.2	163	177	0	0	0	0	0	111	V283 P312 R313	V283-G310 CarbonylContact O-C 3.55Å; V283-G310 WeakPolarHBondContact O-CA 3.42Å; G310-P312 CarbonylContact C-O 3.55Å; G310-P312 CarbonylContact O-C 3.59Å; G310-R313 WeakPolarHBondContact O-CA 3.46Å; G310-R313 PolarHBondContact O-N 3.48Å
311	T	81.2	Confident	79.7	Confident	63 Å²	63	54.8 Å²	54.8	39%	0.387	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	117	179.2	-60.3	0	0	0	0	109.2	F256 I282 V283 N349	F256-T311 HydrophobicContact CE1-CG2 4.18Å; I282-T311 WeakPolarHBondContact CA-O 3.38Å; I282-T311 WeakPolarHBondContact CB-O 3.41Å; V283-T311 PolarHBondContact N-O 3.49Å; V283-T311 PolarHBondContact O-N 3.36Å; T311-N349 PolarHBondContact N-ND2 2.81Å
312	P	81.4	Confident	78	Confident	50 Å²	50	61.4 Å²	61.4	33%	0.325	30%	0.297	S	S	.	.	S	Bend	cis	-59.9	164.4	-5.3	-20.5	33	0	0	0	113	G310 P314 N349 K350	G310-P312 CarbonylContact C-O 3.55Å; G310-P312 CarbonylContact O-C 3.59Å; P312-P314 WeakPolarHBondContact O-CD 3.2Å; P312-N349 WeakPolarHBondContact O-CB 3.4Å; P312-N349 PolarHBondContact O-ND2 2.91Å; P312-K350 HydrophobicContact CG-CB 4.15Å; P312-K350 HydrophobicContact CG-CD 3.91Å; P312-K350 HydrophobicContact CG-CG 4.02Å
313	R	79.8	Confident	76.5	Confident	212 Å²	212	68.2 Å²	68.2	80%	0.8	32%	0.323	S	S	*	.	P	Polyproline II helix	trans	-52.4	125.3	180	-171.7	176.5	-179.9	-159	-0.6	110.8	G310	G310-R313 WeakPolarHBondContact O-CA 3.46Å; G310-R313 PolarHBondContact O-N 3.48Å
314	P	80.5	Confident	75.3	Confident	11 Å²	11	65 Å²	65	7%	0.071	31%	0.313	C	S	.	.	P	Polyproline II helix	trans	-66.4	140.7	179.9	-22.1	34.3	0	0	0	112.9	P285 V308 P312 A347 G348 N349	P285-P314 HydrophobicContact CB-CB 4.12Å; P285-P314 HydrophobicContact CB-CG 3.9Å; P285-P314 HydrophobicContact CG-CB 4.18Å; P285-P314 HydrophobicContact CG-CG 4.09Å; V308-P314 HydrophobicContact CG1-CB 4.16Å; V308-P314 HydrophobicContact CG1-CG 4.03Å; P312-P314 WeakPolarHBondContact O-CD 3.2Å; P314-A347 HydrophobicContact CB-CB 4.33Å; P314-G348 CarbonylContact C-O 3.57Å; P314-G348 VanDerWaalsContact CA-O 3.3Å; P314-G348 WeakPolarHBondContact CA-O 3.49Å; P314-N349 HydrophobicContact CB-CB 4.38Å; P314-N349 HydrophobicContact CG-CB 4.33Å
315	T	78.2	Confident	74.5	Confident	108 Å²	108	67.6 Å²	67.6	66%	0.663	32%	0.324	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.4	131.4	165.8	-57.2	0	0	0	0	108.3	A347 G348	T315-A347 VanDerWaalsContact O-CA 3.31Å; T315-A347 WeakPolarHBondContact O-CA 3.44Å; T315-G348 PolarHBondContact N-O 3.22Å; T315-G348 PolarHBondContact O-N 2.84Å
316	V	77.1	Confident	73.6	Confident	9 Å²	9	69.2 Å²	69.2	6%	0.055	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	136	-177.6	177.4	0	0	0	0	110	C306 V308 C345 M346 A347	C306-V316 WeakPolarHBondContact SG-CG1 3.32Å; V308-V316 HydrophobicContact CB-CG2 4.18Å; V308-V316 HydrophobicContact CG2-CG2 3.9Å; V316-C345 VanDerWaalsContact CG1-SG 3.55Å; V316-M346 CarbonylContact C-O 3.46Å; V316-M346 WeakPolarHBondContact CA-O 3.26Å; V316-A347 HydrophobicContact CG2-CB 4.06Å
317	Q	78.2	Confident	73.1	Confident	53 Å²	53	73.6 Å²	73.6	25%	0.248	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	138	-179	-174.8	176.1	-7.1	0	0	111	K324 M346	Q317-K324 VanDerWaalsContact NE2-CG 3.29Å; Q317-M346 PolarHBondContact N-O 2.87Å; Q317-M346 PolarHBondContact O-N 3.38Å
318	W	73.9	Confident	72.5	Confident	0 Å²	0	74 Å²	74	0%	0	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	141.2	172.3	-62.6	83.4	0	0	0	111.3	P291 L304 C306 K324 F325 N327 N328 L330 N344 C345	P291-W318 HydrophobicContact CB-CH2 3.61Å; P291-W318 HydrophobicContact CB-CZ3 3.89Å; P291-W318 HydrophobicContact CG-CH2 3.62Å; P291-W318 HydrophobicContact CG-CZ3 3.76Å; L304-W318 HydrophobicContact CB-CH2 3.56Å; L304-W318 HydrophobicContact CB-CZ2 4.05Å; L304-W318 HydrophobicContact CB-CZ3 3.89Å; L304-W318 HydrophobicContact CD1-CZ3 4.12Å; L304-W318 VanDerWaalsContact O-CZ2 3.26Å; L304-W318 WeakPolarHBondContact O-CZ2 3.48Å; C306-W318 HydrophobicContact CB-CH2 4.35Å; C306-W318 HydrophobicContact CB-CZ2 3.98Å; C306-W318 WeakPolarHBondContact SG-CZ2 3.19Å; W318-K324 WeakPolarHBondContact O-CA 3.25Å; W318-F325 HydrophobicContact CB-CB 4.12Å; W318-F325 HydrophobicContact CB-CD2 4.16Å; W318-F325 PolarHBondContact N-O 3.49Å; W318-F325 PolarHBondContact O-N 2.94Å; W318-N327 PolarHBondContact NE1-O 2.78Å; W318-N327 VanDerWaalsContact NE1-O 3.11Å; W318-N328 PolarHBondContact NE1-O 2.82Å; W318-L330 HydrophobicContact CB-CB 4.41Å; W318-L330 HydrophobicContact CD2-CB 3.67Å; W318-L330 HydrophobicContact CD2-CD2 4.24Å; W318-L330 HydrophobicContact CE3-CB 4.22Å; W318-L330 HydrophobicContact CE3-CD2 4.06Å; W318-L330 HydrophobicContact CG-CB 3.73Å; W318-L330 HydrophobicContact CG-CD2 4.44Å; W318-L330 HydrophobicContact CZ2-CB 4.41Å; W318-N344 CarbonylContact C-O 3.58Å; W318-N344 VanDerWaalsContact CA-O 3.3Å; W318-N344 WeakPolarHBondContact CA-O 3.32Å; W318-C345 HydrophobicContact CD2-CB 4.03Å; W318-C345 HydrophobicContact CE3-CB 3.84Å; W318-C345 HydrophobicContact CH2-CB 3.7Å; W318-C345 HydrophobicContact CZ2-CB 3.91Å; W318-C345 HydrophobicContact CZ3-CB 3.68Å
319	T	71.7	Confident	72.2	Confident	25 Å²	25	75.2 Å²	75.2	15%	0.153	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	135.7	169	57.6	0	0	0	0	111.3	R323 K324 Y343 N344 M346	T319-R323 WeakPolarHBondContact CA-O 3.39Å; T319-K324 HydrophobicContact CG2-CG 4.19Å; T319-Y343 CarbonylContact O-C 3.52Å; T319-Y343 WeakPolarHBondContact O-CA 3.48Å; T319-N344 PolarHBondContact N-O 3.31Å; T319-N344 PolarHBondContact O-N 3.27Å; T319-N344 WeakPolarHBondContact OG1-CB 3.13Å; T319-M346 HydrophobicContact CG2-CE 3.45Å; T319-M346 VanDerWaalsContact CG2-CE 3.45Å; T319-M346 HydrophobicContact CG2-SD 4.27Å
320	F	66	Low	71.9	Confident	26 Å²	26	68.9 Å²	68.9	11%	0.114	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	155.8	164.9	-174.9	-111.7	0	0	0	106.2	F322 R323 F325 Q339 Y343	F320-F322 PolarHBondContact O-N 3.36Å; F320-R323 HydrophobicContact CB-CB 4.48Å; F320-R323 PolarHBondContact N-O 3.15Å; F320-R323 PolarHBondContact O-N 3.07Å; F320-F325 HydrophobicContact CB-CE2 4.36Å; F320-Q339 WeakPolarHBondContact CE2-O 3.42Å; F320-Q339 WeakPolarHBondContact CZ-O 3.47Å; F320-Y343 HydrophobicContact CB-CD1 3.63Å; F320-Y343 HydrophobicContact CB-CE1 3.41Å; F320-Y343 VanDerWaalsContact CB-CE1 3.41Å; F320-Y343 HydrophobicContact CB-CG 4.45Å; F320-Y343 HydrophobicContact CD1-CE1 4.37Å; F320-Y343 AromaticContact CD2-CD1 3.78Å; F320-Y343 HydrophobicContact CD2-CD1 3.78Å; F320-Y343 AromaticContact CD2-CD2 3.67Å; F320-Y343 HydrophobicContact CD2-CD2 3.67Å; F320-Y343 AromaticContact CD2-CE1 3.42Å; F320-Y343 HydrophobicContact CD2-CE1 3.42Å; F320-Y343 VanDerWaalsContact CD2-CE1 3.42Å; F320-Y343 AromaticContact CD2-CE2 3.26Å; F320-Y343 HydrophobicContact CD2-CE2 3.26Å; F320-Y343 AromaticContact CD2-CG 3.9Å; F320-Y343 HydrophobicContact CD2-CG 3.9Å; F320-Y343 AromaticContact CD2-CZ 3.12Å; F320-Y343 HydrophobicContact CE2-CD2 4.1Å; F320-Y343 HydrophobicContact CE2-CE1 4.29Å; F320-Y343 AromaticContact CE2-CE2 3.43Å; F320-Y343 HydrophobicContact CE2-CE2 3.43Å; F320-Y343 VanDerWaalsContact CE2-CE2 3.43Å; F320-Y343 AromaticContact CE2-CZ 3.54Å; F320-Y343 HydrophobicContact CG-CD1 4.01Å; F320-Y343 AromaticContact CG-CE1 3.47Å; F320-Y343 HydrophobicContact CG-CE1 3.47Å; F320-Y343 VanDerWaalsContact CG-CE1 3.47Å; F320-Y343 HydrophobicContact CG-CE2 4.14Å; F320-Y343 AromaticContact CG-CZ 3.52Å; F320-Y343 HydrophobicContact CZ-CE2 4.41Å
321	P	53.5	Low	71.7	Confident	77 Å²	77	70.6 Å²	70.6	50%	0.5	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-43	112.2	178.9	-31.1	37.8	0	0	0	111.8	R323	P321-R323 VanDerWaalsContact C-N 3.31Å; P321-R323 PolarHBondContact O-N 3.2Å
322	F	48.5	Very low	71.8	Confident	212 Å²	212	67.8 Å²	67.8	93%	0.93	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.1	7.8	-179.2	-39.8	-74.3	0	0	0	118.1	F320	F320-F322 PolarHBondContact O-N 3.36Å
323	R	55.1	Low	71.8	Confident	146 Å²	146	70.6 Å²	70.6	55%	0.551	35%	0.353	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-126.7	138.1	176.1	-62.9	-170	-177.1	-167.7	4.1	112.4	T319 F320 P321 F325	T319-R323 WeakPolarHBondContact CA-O 3.39Å; F320-R323 HydrophobicContact CB-CB 4.48Å; F320-R323 PolarHBondContact N-O 3.15Å; F320-R323 PolarHBondContact O-N 3.07Å; P321-R323 VanDerWaalsContact C-N 3.31Å; P321-R323 PolarHBondContact O-N 3.2Å; R323-F325 HydrophobicContact CB-CE2 4.02Å; R323-F325 HydrophobicContact CB-CZ 4.19Å
324	K	55.4	Low	71.8	Confident	93 Å²	93	64.9 Å²	64.9	40%	0.404	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	136.7	-178.7	-75.3	175.9	167.5	-168.9	0	109.3	Q317 W318 T319 S522	Q317-K324 VanDerWaalsContact NE2-CG 3.29Å; W318-K324 WeakPolarHBondContact O-CA 3.25Å; T319-K324 HydrophobicContact CG2-CG 4.19Å; K324-S522 VanDerWaalsContact NZ-N 3.14Å; K324-S522 PolarHBondContact NZ-O 3.43Å
325	F	68.8	Low	71.9	Confident	57 Å²	57	64.4 Å²	64.4	25%	0.25	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	125.4	173.9	-47.4	-100.3	0	0	0	109.5	W318 F320 R323 N327 L330 L332 Y343	W318-F325 HydrophobicContact CB-CB 4.12Å; W318-F325 HydrophobicContact CB-CD2 4.16Å; W318-F325 PolarHBondContact N-O 3.49Å; W318-F325 PolarHBondContact O-N 2.94Å; F320-F325 HydrophobicContact CB-CE2 4.36Å; R323-F325 HydrophobicContact CB-CE2 4.02Å; R323-F325 HydrophobicContact CB-CZ 4.19Å; F325-N327 PolarHBondContact O-N 3.45Å; F325-L330 HydrophobicContact CB-CD1 3.93Å; F325-L330 HydrophobicContact CD1-CD1 3.63Å; F325-L330 HydrophobicContact CD2-CD1 3.45Å; F325-L330 VanDerWaalsContact CD2-CD1 3.45Å; F325-L330 HydrophobicContact CE1-CD1 3.92Å; F325-L330 HydrophobicContact CE2-CD1 3.75Å; F325-L330 HydrophobicContact CG-CD1 3.39Å; F325-L330 HydrophobicContact CZ-CD1 3.97Å; F325-L332 HydrophobicContact CZ-CD2 4.25Å; F325-Y343 HydrophobicContact CE2-CE1 4.3Å
326	S	63.6	Low	71.8	Confident	114 Å²	114	61.5 Å²	61.5	80%	0.797	32%	0.322	S	S	*	.			trans	-96	83.1	-177.3	53.3	0	0	0	0	110.4
327	N	73.5	Confident	71.9	Confident	92 Å²	92	65 Å²	65	49%	0.492	34%	0.339	S	S	.	.	S	Bend	trans	-170.1	163	168.2	-155	-19.4	0	0	0	109.9	W318 F325 T329	W318-N327 PolarHBondContact NE1-O 2.78Å; W318-N327 VanDerWaalsContact NE1-O 3.11Å; F325-N327 PolarHBondContact O-N 3.45Å; N327-T329 WeakPolarHBondContact CB-O 3.18Å; N327-T329 PolarHBondContact O-N 2.83Å
328	N	74.5	Confident	71.8	Confident	42 Å²	42	70.4 Å²	70.4	23%	0.225	36%	0.364	C	S	.	.	S	Bend	trans	-64.7	-26.9	166.1	-74.5	67	0	0	0	112.3	H305 C306 W318	H305-N328 PolarHBondContact ND1-O 2.8Å; C306-N328 PolarHBondContact N-O 2.78Å; C306-N328 WeakPolarHBondContact O-CB 3.33Å; C306-N328 PolarHBondContact O-ND2 3.03Å; W318-N328 PolarHBondContact NE1-O 2.82Å
329	T	79.7	Confident	72.1	Confident	40 Å²	40	72 Å²	72	25%	0.245	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	118.8	178.8	-47.1	0	0	0	0	111.3	W303 L304 H305 N327 V331	W303-T329 HydrophobicContact CE3-CG2 4.15Å; L304-T329 CarbonylContact O-C 3.57Å; L304-T329 WeakPolarHBondContact O-CA 3.38Å; H305-T329 HydrophobicContact CB-CG2 4.43Å; H305-T329 PolarHBondContact ND1-OG1 2.7Å; N327-T329 WeakPolarHBondContact CB-O 3.18Å; N327-T329 PolarHBondContact O-N 2.83Å; T329-V331 HydrophobicContact CG2-CG2 4.11Å
330	L	83.5	Confident	72.7	Confident	1 Å²	1	72.6 Å²	72.6	1%	0.005	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	127.1	165.3	172.6	67.3	0	0	0	109.4	L304 W318 F325 L332 Y343	L304-L330 HydrophobicContact CB-CB 4.24Å; L304-L330 HydrophobicContact CD1-CD2 4.18Å; L304-L330 PolarHBondContact N-O 2.8Å; L304-L330 PolarHBondContact O-N 3.05Å; W318-L330 HydrophobicContact CB-CB 4.41Å; W318-L330 HydrophobicContact CD2-CB 3.67Å; W318-L330 HydrophobicContact CD2-CD2 4.24Å; W318-L330 HydrophobicContact CE3-CB 4.22Å; W318-L330 HydrophobicContact CE3-CD2 4.06Å; W318-L330 HydrophobicContact CG-CB 3.73Å; W318-L330 HydrophobicContact CG-CD2 4.44Å; W318-L330 HydrophobicContact CZ2-CB 4.41Å; F325-L330 HydrophobicContact CB-CD1 3.93Å; F325-L330 HydrophobicContact CD1-CD1 3.63Å; F325-L330 HydrophobicContact CD2-CD1 3.45Å; F325-L330 VanDerWaalsContact CD2-CD1 3.45Å; F325-L330 HydrophobicContact CE1-CD1 3.92Å; F325-L330 HydrophobicContact CE2-CD1 3.75Å; F325-L330 HydrophobicContact CG-CD1 3.39Å; F325-L330 HydrophobicContact CZ-CD1 3.97Å; L330-L332 HydrophobicContact CD1-CD2 3.96Å; L330-L332 HydrophobicContact CD2-CD2 4.49Å; L330-L332 HydrophobicContact CG-CD2 4.29Å; L330-L332 HydrophobicContact CG-CG 4.34Å; L330-Y343 HydrophobicContact CD2-CD1 3.21Å; L330-Y343 HydrophobicContact CD2-CE1 3.61Å; L330-Y343 HydrophobicContact CD2-CG 3.88Å
331	V	81.8	Confident	73.5	Confident	52 Å²	52	72.4 Å²	72.4	32%	0.315	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	119.8	174.9	-171.2	0	0	0	0	108	V302 W303 T329 L333	V302-V331 WeakPolarHBondContact O-CA 3.41Å; W303-V331 HydrophobicContact CD2-CG1 4.25Å; W303-V331 HydrophobicContact CD2-CG2 4.33Å; W303-V331 HydrophobicContact CE3-CB 4.43Å; W303-V331 HydrophobicContact CE3-CG1 4.16Å; W303-V331 HydrophobicContact CE3-CG2 3.53Å; W303-V331 HydrophobicContact CH2-CG1 3.91Å; W303-V331 HydrophobicContact CH2-CG2 4.13Å; W303-V331 HydrophobicContact CZ2-CG1 4Å; W303-V331 HydrophobicContact CZ3-CB 4.37Å; W303-V331 HydrophobicContact CZ3-CG1 4Å; W303-V331 HydrophobicContact CZ3-CG2 3.41Å; W303-V331 VanDerWaalsContact CZ3-CG2 3.41Å; T329-V331 HydrophobicContact CG2-CG2 4.11Å; V331-L333 HydrophobicContact CG1-CD2 3.71Å; V331-L333 HydrophobicContact CG1-CG 4.06Å
332	L	83.4	Confident	74.8	Confident	4 Å²	4	74.2 Å²	74.2	2%	0.021	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	104.7	168.8	-50.3	171.8	0	0	0	107.1	D301 V302 F325 L330 P335 Y343 V360	D301-L332 WeakPolarHBondContact CA-O 3.33Å; V302-L332 HydrophobicContact CB-CB 4.11Å; V302-L332 HydrophobicContact CB-CD1 4.21Å; V302-L332 HydrophobicContact CB-CG 4.4Å; V302-L332 HydrophobicContact CG1-CD1 4.38Å; V302-L332 PolarHBondContact N-O 2.81Å; V302-L332 PolarHBondContact O-N 3.28Å; F325-L332 HydrophobicContact CZ-CD2 4.25Å; L330-L332 HydrophobicContact CD1-CD2 3.96Å; L330-L332 HydrophobicContact CD2-CD2 4.49Å; L330-L332 HydrophobicContact CG-CD2 4.29Å; L330-L332 HydrophobicContact CG-CG 4.34Å; L332-P335 HydrophobicContact CB-CB 4.04Å; L332-P335 HydrophobicContact CB-CG 4.5Å; L332-Y343 HydrophobicContact CD1-CE1 4.15Å; L332-Y343 HydrophobicContact CD1-CE2 4.18Å; L332-Y343 WeakPolarHBondContact CD1-OH 3.15Å; L332-Y343 HydrophobicContact CD2-CE1 4.21Å; L332-V360 HydrophobicContact CD1-CG1 4.42Å
333	L	81.9	Confident	76.3	Confident	108 Å²	108	64.1 Å²	64.1	57%	0.565	34%	0.34	S	S	*	.	S	Bend	trans	-81.2	131	174	-60	176.6	0	0	0	109	D301 V331	D301-L333 HydrophobicContact CB-CD2 4.29Å; D301-L333 VanDerWaalsContact OD1-CA 3.27Å; D301-L333 WeakPolarHBondContact OD1-CA 3.4Å; D301-L333 WeakPolarHBondContact OD2-CD2 3.04Å; V331-L333 HydrophobicContact CG1-CD2 3.71Å; V331-L333 HydrophobicContact CG1-CG 4.06Å
334	T	78.7	Confident	77.5	Confident	93 Å²	93	58.1 Å²	58.1	57%	0.571	32%	0.319	S	S	*	.	S	Bend	trans	42.4	60.8	179.4	58.2	0	0	0	0	113.4	E299 D301	E299-T334 HydrophobicContact CB-CG2 4.45Å; D301-T334 PolarHBondContact OD1-N 3.19Å
335	P	81.7	Confident	78.6	Confident	1 Å²	1	53.7 Å²	53.7	1%	0.006	30%	0.3	C	S	.	.			trans	-69.5	141.7	-170.2	29.9	-35.5	0	0	0	112.4	V296 Q300 V302 L332 Q339 I362	V296-P335 HydrophobicContact CG2-CG 4.46Å; Q300-P335 WeakPolarHBondContact O-CD 3.42Å; Q300-P335 WeakPolarHBondContact O-CG 3.3Å; V302-P335 HydrophobicContact CG2-CG 4.08Å; L332-P335 HydrophobicContact CB-CB 4.04Å; L332-P335 HydrophobicContact CB-CG 4.5Å; P335-Q339 VanDerWaalsContact CA-OE1 3.28Å; P335-Q339 HydrophobicContact CB-CB 4.47Å; P335-I362 HydrophobicContact CB-CD1 3.77Å; P335-I362 HydrophobicContact CG-CD1 4.15Å
336	S	78.2	Confident	79.1	Confident	46 Å²	46	53.8 Å²	53.8	32%	0.322	30%	0.302	S	S	.	.			trans	-89	163	174.9	76.4	0	0	0	0	112.1	E338 Q339 I362	S336-E338 PolarHBondContact O-N 2.87Å; S336-E338 PolarHBondContact OG-N 2.96Å; S336-Q339 WeakPolarHBondContact O-CB 3.41Å; S336-Q339 PolarHBondContact O-N 3.07Å; S336-I362 WeakPolarHBondContact O-CD1 3.39Å
337	M	77.7	Confident	79.8	Confident	83 Å²	83	48.4 Å²	48.4	41%	0.409	26%	0.264	S	S	.	.	G	3₁₀ helix	trans	-55	-26.6	176.7	-68.1	-62.9	-70.1	0	0	113.9	Q339 A340 I362 L364	M337-Q339 PolarHBondContact O-N 2.88Å; M337-A340 WeakPolarHBondContact O-CB 3.35Å; M337-A340 PolarHBondContact O-N 2.72Å; M337-I362 HydrophobicContact SD-CB 4.04Å; M337-I362 HydrophobicContact SD-CG2 3.78Å; M337-L364 HydrophobicContact CE-CG 4.19Å; M337-L364 HydrophobicContact CG-CD2 4.13Å; M337-L364 HydrophobicContact SD-CD2 4.2Å; M337-L364 HydrophobicContact SD-CG 4.13Å
338	E	77.2	Confident	79.8	Confident	166 Å²	166	44.5 Å²	44.5	78%	0.776	25%	0.245	S	C	*	.	G	3₁₀ helix	trans	-70	-20.6	177.1	-59.8	-176.8	169.3	0	0	113.2	S336	S336-E338 PolarHBondContact O-N 2.87Å; S336-E338 PolarHBondContact OG-N 2.96Å
339	Q	80.1	Confident	79.7	Confident	35 Å²	35	43.4 Å²	43.4	16%	0.164	24%	0.239	C	C	.	.	G	3₁₀ helix	trans	-90	-2.5	178.1	-64.4	177.4	-77.2	0	0	112.6	F320 P335 S336 M337 Y343 I362	F320-Q339 WeakPolarHBondContact CE2-O 3.42Å; F320-Q339 WeakPolarHBondContact CZ-O 3.47Å; P335-Q339 VanDerWaalsContact CA-OE1 3.28Å; P335-Q339 HydrophobicContact CB-CB 4.47Å; S336-Q339 WeakPolarHBondContact O-CB 3.41Å; S336-Q339 PolarHBondContact O-N 3.07Å; M337-Q339 PolarHBondContact O-N 2.88Å; Q339-Y343 VanDerWaalsContact O-CE2 3.23Å; Q339-Y343 WeakPolarHBondContact O-CE2 3.35Å; Q339-Y343 PolarHBondContact O-OH 3.29Å; Q339-I362 HydrophobicContact CB-CD1 4.37Å
340	A	82.8	Confident	79	Confident	37 Å²	37	46.6 Å²	46.6	31%	0.306	25%	0.25	S	C	.	.			trans	-68.9	132.8	171.6	0	0	0	0	0	109.9	M337 V360 I362	M337-A340 WeakPolarHBondContact O-CB 3.35Å; M337-A340 PolarHBondContact O-N 2.72Å; A340-V360 CarbonylContact C-O 3.57Å; A340-V360 WeakPolarHBondContact CA-O 3.3Å; A340-I362 HydrophobicContact CB-CB 4.17Å; A340-I362 HydrophobicContact CB-CD1 4.04Å; A340-I362 HydrophobicContact CB-CG1 4.04Å
341	G	82.9	Confident	77.9	Confident	21 Å²	21	47.2 Å²	47.2	22%	0.216	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	153	-164	178.7	0	0	0	0	0	114	Y343 V360	G341-Y343 WeakPolarHBondContact O-CD2 3.35Å; G341-V360 PolarHBondContact N-O 2.8Å; G341-V360 PolarHBondContact O-N 2.88Å
342	K	80.8	Confident	76.9	Confident	115 Å²	115	45.5 Å²	45.5	50%	0.5	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	116.5	-175.3	-68.9	167.5	168.9	-122.4	0	110.3	E357 L359	K342-E357 HydrophobicContact CB-CG 4.01Å; K342-E357 VanDerWaalsContact CD-OE1 3.3Å; K342-E357 WeakPolarHBondContact CD-OE1 3.47Å; K342-E357 VanDerWaalsContact CE-OE1 3.3Å; K342-E357 WeakPolarHBondContact CE-OE1 3.37Å; K342-E357 HydrophobicContact CG-CG 4.23Å; K342-E357 WeakPolarHBondContact CG-OE1 3.49Å; K342-E357 IonicContact NZ-OE1 2.65Å; K342-E357 PolarHBondContact NZ-OE1 3Å; K342-E357 IonicContact NZ-OE2 3.36Å; K342-L359 HydrophobicContact CG-CD1 3.93Å
343	Y	80.7	Confident	76.2	Confident	1 Å²	1	48.6 Å²	48.6	0%	0.004	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	135.2	172.9	-71.7	-101	0	0	0	109.3	T319 F320 F325 L330 L332 Q339 G341 E357 G358 V360	T319-Y343 CarbonylContact O-C 3.52Å; T319-Y343 WeakPolarHBondContact O-CA 3.48Å; F320-Y343 HydrophobicContact CB-CD1 3.63Å; F320-Y343 HydrophobicContact CB-CE1 3.41Å; F320-Y343 VanDerWaalsContact CB-CE1 3.41Å; F320-Y343 HydrophobicContact CB-CG 4.45Å; F320-Y343 HydrophobicContact CD1-CE1 4.37Å; F320-Y343 AromaticContact CD2-CD1 3.78Å; F320-Y343 HydrophobicContact CD2-CD1 3.78Å; F320-Y343 AromaticContact CD2-CD2 3.67Å; F320-Y343 HydrophobicContact CD2-CD2 3.67Å; F320-Y343 AromaticContact CD2-CE1 3.42Å; F320-Y343 HydrophobicContact CD2-CE1 3.42Å; F320-Y343 VanDerWaalsContact CD2-CE1 3.42Å; F320-Y343 AromaticContact CD2-CE2 3.26Å; F320-Y343 HydrophobicContact CD2-CE2 3.26Å; F320-Y343 AromaticContact CD2-CG 3.9Å; F320-Y343 HydrophobicContact CD2-CG 3.9Å; F320-Y343 AromaticContact CD2-CZ 3.12Å; F320-Y343 HydrophobicContact CE2-CD2 4.1Å; F320-Y343 HydrophobicContact CE2-CE1 4.29Å; F320-Y343 AromaticContact CE2-CE2 3.43Å; F320-Y343 HydrophobicContact CE2-CE2 3.43Å; F320-Y343 VanDerWaalsContact CE2-CE2 3.43Å; F320-Y343 AromaticContact CE2-CZ 3.54Å; F320-Y343 HydrophobicContact CG-CD1 4.01Å; F320-Y343 AromaticContact CG-CE1 3.47Å; F320-Y343 HydrophobicContact CG-CE1 3.47Å; F320-Y343 VanDerWaalsContact CG-CE1 3.47Å; F320-Y343 HydrophobicContact CG-CE2 4.14Å; F320-Y343 AromaticContact CG-CZ 3.52Å; F320-Y343 HydrophobicContact CZ-CE2 4.41Å; F325-Y343 HydrophobicContact CE2-CE1 4.3Å; L330-Y343 HydrophobicContact CD2-CD1 3.21Å; L330-Y343 HydrophobicContact CD2-CE1 3.61Å; L330-Y343 HydrophobicContact CD2-CG 3.88Å; L332-Y343 HydrophobicContact CD1-CE1 4.15Å; L332-Y343 HydrophobicContact CD1-CE2 4.18Å; L332-Y343 WeakPolarHBondContact CD1-OH 3.15Å; L332-Y343 HydrophobicContact CD2-CE1 4.21Å; Q339-Y343 VanDerWaalsContact O-CE2 3.23Å; Q339-Y343 WeakPolarHBondContact O-CE2 3.35Å; Q339-Y343 PolarHBondContact O-OH 3.29Å; G341-Y343 WeakPolarHBondContact O-CD2 3.35Å; Y343-E357 CarbonylContact O-C 3.54Å; Y343-E357 WeakPolarHBondContact O-CA 3.19Å; Y343-G358 PolarHBondContact N-O 2.87Å; Y343-G358 PolarHBondContact O-N 2.72Å; Y343-V360 HydrophobicContact CD2-CB 3.94Å; Y343-V360 HydrophobicContact CD2-CG2 3.43Å; Y343-V360 VanDerWaalsContact CD2-CG2 3.43Å; Y343-V360 HydrophobicContact CE2-CB 3.77Å; Y343-V360 HydrophobicContact CE2-CG2 3.59Å; Y343-V360 HydrophobicContact CG-CG2 4.33Å
344	N	80.5	Confident	75.5	Confident	20 Å²	20	48.8 Å²	48.8	11%	0.107	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	117.2	179.9	-57.5	-66.2	0	0	0	109.8	W318 T319 M346 R355 H356	W318-N344 CarbonylContact C-O 3.58Å; W318-N344 VanDerWaalsContact CA-O 3.3Å; W318-N344 WeakPolarHBondContact CA-O 3.32Å; T319-N344 PolarHBondContact N-O 3.31Å; T319-N344 PolarHBondContact O-N 3.27Å; T319-N344 WeakPolarHBondContact OG1-CB 3.13Å; N344-M346 HydrophobicContact CB-CG 4.46Å; N344-R355 HydrophobicContact CB-CG 4.19Å; N344-R355 VanDerWaalsContact CG-CZ 3.44Å; N344-R355 VanDerWaalsContact CG-NH2 3.26Å; N344-R355 PolarHBondContact ND2-NH2 2.69Å; N344-R355 PolarHBondContact OD1-NE 3.29Å; N344-R355 PolarHBondContact OD1-NH2 2.98Å; N344-H356 CarbonylContact C-O 3.55Å; N344-H356 WeakPolarHBondContact CA-O 3.25Å
345	C	78.6	Confident	75.6	Confident	0 Å²	0	51.2 Å²	51.2	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	119.4	162.8	175	0	0	0	0	108.1	F287 P291 C306 V316 W318 R355 H356	F287-C345 HydrophobicContact CE1-CB 4.4Å; P291-C345 HydrophobicContact CG-CB 4.18Å; C306-C345 HydrophobicContact CB-CB 3.89Å; C306-C345 WeakPolarHBondContact CB-SG 3.49Å; C306-C345 WeakPolarHBondContact SG-CB 3.4Å; C306-C345 CovalentContact SG-SG 2.05Å; C306-C345 PolarHBondContact SG-SG 3.35Å; V316-C345 VanDerWaalsContact CG1-SG 3.55Å; W318-C345 HydrophobicContact CD2-CB 4.03Å; W318-C345 HydrophobicContact CE3-CB 3.84Å; W318-C345 HydrophobicContact CH2-CB 3.7Å; W318-C345 HydrophobicContact CZ2-CB 3.91Å; W318-C345 HydrophobicContact CZ3-CB 3.68Å; C345-R355 CarbonylContact O-C 3.46Å; C345-R355 WeakPolarHBondContact O-CA 3.29Å; C345-H356 PolarHBondContact N-O 3.32Å; C345-H356 PolarHBondContact O-N 2.72Å
346	M	80.2	Confident	75.4	Confident	59 Å²	59	54.5 Å²	54.5	29%	0.291	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	134	176.5	-56.4	-174.7	-48.7	0	0	108.4	V316 Q317 T319 N344 K354 R355	V316-M346 CarbonylContact C-O 3.46Å; V316-M346 WeakPolarHBondContact CA-O 3.26Å; Q317-M346 PolarHBondContact N-O 2.87Å; Q317-M346 PolarHBondContact O-N 3.38Å; T319-M346 HydrophobicContact CG2-CE 3.45Å; T319-M346 VanDerWaalsContact CG2-CE 3.45Å; T319-M346 HydrophobicContact CG2-SD 4.27Å; N344-M346 HydrophobicContact CB-CG 4.46Å; M346-K354 WeakPolarHBondContact CA-O 3.39Å; M346-R355 HydrophobicContact CG-CG 4.39Å
347	A	78	Confident	75.6	Confident	0 Å²	0	55.6 Å²	55.6	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	131.1	176.7	0	0	0	0	0	110.6	P285 F287 V308 P314 T315 V316 F353 K354	P285-A347 HydrophobicContact CB-CB 4.21Å; F287-A347 HydrophobicContact CZ-CB 4.4Å; V308-A347 HydrophobicContact CB-CB 4.01Å; V308-A347 HydrophobicContact CG1-CB 3.63Å; V308-A347 HydrophobicContact CG2-CB 3.68Å; P314-A347 HydrophobicContact CB-CB 4.33Å; T315-A347 VanDerWaalsContact O-CA 3.31Å; T315-A347 WeakPolarHBondContact O-CA 3.44Å; V316-A347 HydrophobicContact CG2-CB 4.06Å; A347-F353 CarbonylContact O-C 3.59Å; A347-F353 VanDerWaalsContact O-CA 3.27Å; A347-F353 WeakPolarHBondContact O-CA 3.47Å; A347-K354 PolarHBondContact N-O 2.71Å; A347-K354 PolarHBondContact O-N 2.93Å
348	G	72.1	Confident	75.7	Confident	10 Å²	10	51.6 Å²	51.6	10%	0.103	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	138.4	-172.6	0	0	0	0	0	113	P314 T315 G352	P314-G348 CarbonylContact C-O 3.57Å; P314-G348 VanDerWaalsContact CA-O 3.3Å; P314-G348 WeakPolarHBondContact CA-O 3.49Å; T315-G348 PolarHBondContact N-O 3.22Å; T315-G348 PolarHBondContact O-N 2.84Å; G348-G352 WeakPolarHBondContact CA-O 3.4Å
349	N	73.5	Confident	76	Confident	19 Å²	19	46.7 Å²	46.7	10%	0.102	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	-172.4	166.2	69.4	8.2	0	0	0	110.2	V283 P285 T311 P312 P314 G351 G352	V283-N349 PolarHBondContact O-ND2 3.24Å; P285-N349 WeakPolarHBondContact CD-OD1 3.49Å; P285-N349 HydrophobicContact CG-CB 4.47Å; T311-N349 PolarHBondContact N-ND2 2.81Å; P312-N349 WeakPolarHBondContact O-CB 3.4Å; P312-N349 PolarHBondContact O-ND2 2.91Å; P314-N349 HydrophobicContact CB-CB 4.38Å; P314-N349 HydrophobicContact CG-CB 4.33Å; N349-G351 PolarHBondContact O-N 2.89Å; N349-G351 VanDerWaalsContact OD1-CA 3.3Å; N349-G351 WeakPolarHBondContact OD1-CA 3.45Å; N349-G351 PolarHBondContact OD1-N 3.4Å; N349-G352 PolarHBondContact N-O 3.38Å; N349-G352 PolarHBondContact O-N 2.96Å; N349-G352 VanDerWaalsContact O-N 3.12Å; N349-G352 PolarHBondContact OD1-N 3.14Å
350	K	65.8	Low	76.3	Confident	107 Å²	107	45.1 Å²	45.1	47%	0.465	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-18.8	176.8	-73.5	-171.6	179	-179.6	0	114.3	K193 E280 P312	K193-K350 HydrophobicContact CD-CB 4.32Å; K193-K350 WeakPolarHBondContact CD-O 3.23Å; K193-K350 PolarHBondContact NZ-O 2.91Å; E280-K350 IonicContact OE1-NZ 2.84Å; E280-K350 IonicContact OE2-NZ 2.99Å; E280-K350 PolarHBondContact OE2-NZ 3Å; P312-K350 HydrophobicContact CG-CB 4.15Å; P312-K350 HydrophobicContact CG-CD 3.91Å; P312-K350 HydrophobicContact CG-CG 4.02Å
351	G	60.4	Low	76.4	Confident	15 Å²	15	45.6 Å²	45.6	16%	0.155	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.2	-12.7	179.6	0	0	0	0	0	116.4	N349	N349-G351 PolarHBondContact O-N 2.89Å; N349-G351 VanDerWaalsContact OD1-CA 3.3Å; N349-G351 WeakPolarHBondContact OD1-CA 3.45Å; N349-G351 PolarHBondContact OD1-N 3.4Å
352	G	60.9	Low	76.6	Confident	16 Å²	16	45.2 Å²	45.2	17%	0.165	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	139.4	-162.1	175.8	0	0	0	0	0	111.6	P285 G348 N349	P285-G352 WeakPolarHBondContact CD-O 3.43Å; P285-G352 VanDerWaalsContact CG-O 3.26Å; P285-G352 WeakPolarHBondContact CG-O 3.05Å; G348-G352 WeakPolarHBondContact CA-O 3.4Å; N349-G352 PolarHBondContact N-O 3.38Å; N349-G352 PolarHBondContact O-N 2.96Å; N349-G352 VanDerWaalsContact O-N 3.12Å; N349-G352 PolarHBondContact OD1-N 3.14Å
353	F	67.2	Low	76.7	Confident	69 Å²	69	45.9 Å²	45.9	30%	0.303	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	145.4	-172.1	-59	-91.9	0	0	0	111	A347 I524 L681	A347-F353 CarbonylContact O-C 3.59Å; A347-F353 VanDerWaalsContact O-CA 3.27Å; A347-F353 WeakPolarHBondContact O-CA 3.47Å; F353-I524 HydrophobicContact CE1-CG2 4.24Å; F353-I524 HydrophobicContact CE2-CD1 4.17Å; F353-I524 HydrophobicContact CZ-CD1 3.57Å; F353-I524 HydrophobicContact CZ-CG1 3.78Å; F353-I524 HydrophobicContact CZ-CG2 4.2Å; F353-L681 HydrophobicContact CB-CD1 4.5Å; F353-L681 HydrophobicContact CD1-CD1 3.65Å; F353-L681 HydrophobicContact CD2-CB 4.47Å; F353-L681 HydrophobicContact CD2-CD1 3.72Å; F353-L681 HydrophobicContact CD2-CD2 4.12Å; F353-L681 HydrophobicContact CD2-CG 4.3Å; F353-L681 HydrophobicContact CE1-CD1 3.67Å; F353-L681 HydrophobicContact CE2-CD1 3.75Å; F353-L681 HydrophobicContact CE2-CD2 3.87Å; F353-L681 HydrophobicContact CE2-CG 4.37Å; F353-L681 HydrophobicContact CG-CD1 3.68Å; F353-L681 HydrophobicContact CZ-CD1 3.73Å; F353-L681 HydrophobicContact CZ-CD2 4.42Å
354	K	68.6	Low	76.6	Confident	111 Å²	111	50.2 Å²	50.2	48%	0.483	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	149.9	166.5	-61.4	-62.4	179.1	-173.9	0	109.4	P285 F287 M346 A347	P285-K354 HydrophobicContact CB-CB 4.5Å; P285-K354 HydrophobicContact CB-CG 4.23Å; P285-K354 WeakPolarHBondContact O-CG 3.37Å; F287-K354 HydrophobicContact CD2-CB 4.08Å; F287-K354 HydrophobicContact CE2-CB 3.55Å; F287-K354 HydrophobicContact CZ-CB 4.45Å; M346-K354 WeakPolarHBondContact CA-O 3.39Å; A347-K354 PolarHBondContact N-O 2.71Å; A347-K354 PolarHBondContact O-N 2.93Å
355	R	78.9	Confident	76.1	Confident	144 Å²	144	52 Å²	52	54%	0.543	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	143	177.1	171.8	-180	163.8	-169.1	-5.6	109.3	N344 C345 M346 E357	N344-R355 HydrophobicContact CB-CG 4.19Å; N344-R355 VanDerWaalsContact CG-CZ 3.44Å; N344-R355 VanDerWaalsContact CG-NH2 3.26Å; N344-R355 PolarHBondContact ND2-NH2 2.69Å; N344-R355 PolarHBondContact OD1-NE 3.29Å; N344-R355 PolarHBondContact OD1-NH2 2.98Å; C345-R355 CarbonylContact O-C 3.46Å; C345-R355 WeakPolarHBondContact O-CA 3.29Å; M346-R355 HydrophobicContact CG-CG 4.39Å; R355-E357 IonicContact NH2-OE2 3.44Å; R355-E357 PolarHBondContact NH2-OE2 2.6Å
356	H	79	Confident	75.3	Confident	70 Å²	70	56.7 Å²	56.7	32%	0.324	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	144	164.5	-155.8	88.1	0	0	0	109.5	F287 V290 P291 N344 C345	F287-H356 HydrophobicContact CD2-CB 4.37Å; F287-H356 HydrophobicContact CE1-CB 4.13Å; F287-H356 HydrophobicContact CE2-CB 3.93Å; F287-H356 HydrophobicContact CZ-CB 3.83Å; V290-H356 HydrophobicContact CB-CB 4.49Å; V290-H356 HydrophobicContact CG1-CB 4.26Å; V290-H356 WeakPolarHBondContact CG1-ND1 3.33Å; P291-H356 HydrophobicContact CG-CB 4.41Å; N344-H356 CarbonylContact C-O 3.55Å; N344-H356 WeakPolarHBondContact CA-O 3.25Å; C345-H356 PolarHBondContact N-O 3.32Å; C345-H356 PolarHBondContact O-N 2.72Å
357	E	81	Confident	74.3	Confident	69 Å²	69	57.5 Å²	57.5	32%	0.322	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	132.1	179.8	-176.5	173.9	102.1	0	0	109.5	K342 Y343 R355	K342-E357 HydrophobicContact CB-CG 4.01Å; K342-E357 VanDerWaalsContact CD-OE1 3.3Å; K342-E357 WeakPolarHBondContact CD-OE1 3.47Å; K342-E357 VanDerWaalsContact CE-OE1 3.3Å; K342-E357 WeakPolarHBondContact CE-OE1 3.37Å; K342-E357 HydrophobicContact CG-CG 4.23Å; K342-E357 WeakPolarHBondContact CG-OE1 3.49Å; K342-E357 IonicContact NZ-OE1 2.65Å; K342-E357 PolarHBondContact NZ-OE1 3Å; K342-E357 IonicContact NZ-OE2 3.36Å; Y343-E357 CarbonylContact O-C 3.54Å; Y343-E357 WeakPolarHBondContact O-CA 3.19Å; R355-E357 IonicContact NH2-OE2 3.44Å; R355-E357 PolarHBondContact NH2-OE2 2.6Å
358	G	80.6	Confident	72.9	Confident	0 Å²	0	61.4 Å²	61.4	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	135.5	167.6	0	0	0	0	0	110	Y343	Y343-G358 PolarHBondContact N-O 2.87Å; Y343-G358 PolarHBondContact O-N 2.72Å
359	L	83.8	Confident	71.8	Confident	63 Å²	63	65.8 Å²	65.8	33%	0.33	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	128.4	176.4	-174.8	68.4	0	0	0	110.5	N293 V294 K342 C361	N293-L359 CarbonylContact C-O 3.58Å; N293-L359 WeakPolarHBondContact CA-O 3.3Å; N293-L359 HydrophobicContact CB-CB 4.25Å; N293-L359 WeakPolarHBondContact OD1-CB 3.42Å; N293-L359 PolarHBondContact OD1-N 2.88Å; V294-L359 PolarHBondContact N-O 2.86Å; K342-L359 HydrophobicContact CG-CD1 3.93Å; L359-C361 VanDerWaalsContact CD2-SG 3.57Å
360	V	86.8	Confident	70.6	Confident	1 Å²	1	69.5 Å²	69.5	1%	0.006	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	110.3	169.1	-179.6	0	0	0	0	108.6	V294 V302 L304 L332 A340 G341 Y343 I362	V294-V360 HydrophobicContact CG2-CB 4.26Å; V294-V360 HydrophobicContact CG2-CG1 4.32Å; V294-V360 HydrophobicContact CG2-CG2 3.79Å; V302-V360 HydrophobicContact CG1-CG1 4.42Å; V302-V360 HydrophobicContact CG1-CG2 4.2Å; V302-V360 HydrophobicContact CG2-CG1 4.13Å; L304-V360 HydrophobicContact CD1-CG2 3.61Å; L332-V360 HydrophobicContact CD1-CG1 4.42Å; A340-V360 CarbonylContact C-O 3.57Å; A340-V360 WeakPolarHBondContact CA-O 3.3Å; G341-V360 PolarHBondContact N-O 2.8Å; G341-V360 PolarHBondContact O-N 2.88Å; Y343-V360 HydrophobicContact CD2-CB 3.94Å; Y343-V360 HydrophobicContact CD2-CG2 3.43Å; Y343-V360 VanDerWaalsContact CD2-CG2 3.43Å; Y343-V360 HydrophobicContact CE2-CB 3.77Å; Y343-V360 HydrophobicContact CE2-CG2 3.59Å; Y343-V360 HydrophobicContact CG-CG2 4.33Å; V360-I362 HydrophobicContact CG1-CD1 4.5Å; V360-I362 HydrophobicContact CG1-CG1 4.13Å
361	C	84.4	Confident	69.5	Low	47 Å²	47	72.3 Å²	72.3	32%	0.318	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	127	172.6	-68.5	0	0	0	0	109.5	V294 T295 V296 L359	V294-C361 PolarHBondContact O-N 3.27Å; T295-C361 CarbonylContact C-O 3.52Å; T295-C361 VanDerWaalsContact CA-O 3.27Å; T295-C361 WeakPolarHBondContact CA-O 3.03Å; T295-C361 HydrophobicContact CG2-CB 4.04Å; V296-C361 PolarHBondContact N-O 3.4Å; L359-C361 VanDerWaalsContact CD2-SG 3.57Å
362	I	86.1	Confident	68.5	Low	14 Å²	14	76.6 Å²	76.6	7%	0.072	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	124.9	177.3	-55.8	170.3	0	0	0	108.2	V296 E298 P335 S336 M337 Q339 A340 V360	V296-I362 HydrophobicContact CG2-CG1 4.05Å; V296-I362 CarbonylContact O-C 3.5Å; V296-I362 WeakPolarHBondContact O-CA 2.87Å; E298-I362 HydrophobicContact CB-CG2 4.41Å; P335-I362 HydrophobicContact CB-CD1 3.77Å; P335-I362 HydrophobicContact CG-CD1 4.15Å; S336-I362 WeakPolarHBondContact O-CD1 3.39Å; M337-I362 HydrophobicContact SD-CB 4.04Å; M337-I362 HydrophobicContact SD-CG2 3.78Å; Q339-I362 HydrophobicContact CB-CD1 4.37Å; A340-I362 HydrophobicContact CB-CB 4.17Å; A340-I362 HydrophobicContact CB-CD1 4.04Å; A340-I362 HydrophobicContact CB-CG1 4.04Å; V360-I362 HydrophobicContact CG1-CD1 4.5Å; V360-I362 HydrophobicContact CG1-CG1 4.13Å
363	K	83	Confident	67.3	Low	128 Å²	128	78.9 Å²	78.9	56%	0.557	43%	0.428	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.5	134	177.2	-71.7	176.9	173.2	167.7	0	109.6	T295 V296 E297 E298	T295-K363 HydrophobicContact CG2-CD 3.81Å; T295-K363 VanDerWaalsContact CG2-CE 3.42Å; T295-K363 HydrophobicContact CG2-CG 4Å; V296-K363 PolarHBondContact O-N 3.49Å; E297-K363 CarbonylContact C-O 3.48Å; E297-K363 WeakPolarHBondContact CA-O 3.49Å; E298-K363 PolarHBondContact N-O 2.9Å
364	L	78.7	Confident	66.1	Low	93 Å²	93	86.6 Å²	86.6	49%	0.487	46%	0.455	S	S	.	.	P	Polyproline II helix	trans	-61.4	139.5	170.5	-72.1	160.5	0	0	0	110.2	M337 S366	M337-L364 HydrophobicContact CE-CG 4.19Å; M337-L364 HydrophobicContact CG-CD2 4.13Å; M337-L364 HydrophobicContact SD-CD2 4.2Å; M337-L364 HydrophobicContact SD-CG 4.13Å; L364-S366 PolarHBondContact O-N 2.77Å
365	K	70.7	Confident	64.3	Low	58 Å²	58	89.3 Å²	89.3	25%	0.252	47%	0.469	S	S	.	.	P	Polyproline II helix	trans	-58.2	134.7	172	-73.1	-178.2	-176	171.4	0	110.1	E298 E299 S367 N368	E298-K365 HydrophobicContact CB-CG 4.45Å; E298-K365 WeakPolarHBondContact O-CE 3.37Å; E299-K365 IonicContact OE1-NZ 2.7Å; E299-K365 IonicContact OE2-NZ 3.43Å; E299-K365 PolarHBondContact OE2-NZ 3.27Å; K365-S367 PolarHBondContact O-N 2.97Å; K365-S367 VanDerWaalsContact O-N 3.09Å; K365-N368 PolarHBondContact O-N 3.34Å
366	S	61.6	Low	62	Low	98 Å²	98	88.8 Å²	88.8	69%	0.685	48%	0.482	S	S	*	.	H	α-helix	trans	-56	-27.6	176.4	-165.1	0	0	0	0	112.5	L364 N368 I369	L364-S366 PolarHBondContact O-N 2.77Å; S366-N368 VanDerWaalsContact C-N 3.29Å; S366-N368 PolarHBondContact O-N 2.85Å; S366-I369 PolarHBondContact O-N 2.96Å
367	S	58.5	Low	60	Low	76 Å²	76	89 Å²	89	53%	0.531	50%	0.503	S	S	.	.	H	α-helix	trans	-66	-22.4	175.2	58.1	0	0	0	0	114.7	K365 S370	K365-S367 PolarHBondContact O-N 2.97Å; K365-S367 VanDerWaalsContact O-N 3.09Å; S367-S370 PolarHBondContact O-OG 2.84Å
368	N	50.2	Low	57.4	Low	81 Å²	81	93.3 Å²	93.3	43%	0.433	53%	0.527	S	S	.	.	H	α-helix	trans	-91.4	-17.7	177.4	-75.4	-8	0	0	0	112.7	K365 S366 S370 H371 C372	K365-N368 PolarHBondContact O-N 3.34Å; S366-N368 VanDerWaalsContact C-N 3.29Å; S366-N368 PolarHBondContact O-N 2.85Å; N368-S370 PolarHBondContact O-N 3.32Å; N368-H371 PolarHBondContact O-N 3.27Å; N368-C372 PolarHBondContact O-N 3.03Å
369	I	48.5	Very low	54.9	Low	103 Å²	103	102.3 Å²	102.3	53%	0.528	57%	0.569	S	S	.	*	H	α-helix	trans	-67.1	-29.1	175.6	-61.9	176.4	0	0	0	110.5	S366	S366-I369 PolarHBondContact O-N 2.96Å
370	S	47.1	Very low	52.1	Low	97 Å²	97	109.5 Å²	109.5	68%	0.678	59%	0.592	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74	-23.2	177.7	62.4	0	0	0	0	113.8	S367 N368	S367-S370 PolarHBondContact O-OG 2.84Å; N368-S370 PolarHBondContact O-N 3.32Å
371	H	44.1	Very low	49.4	Very low	165 Å²	165	114.5 Å²	114.5	76%	0.764	63%	0.627	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.5	-23.6	-176.9	-157.3	-66.5	0	0	0	113.8	N368	N368-H371 PolarHBondContact O-N 3.27Å
372	C	39.6	Very low	46.7	Very low	106 Å²	106	121.5 Å²	121.5	72%	0.716	65%	0.652	S	S	*	*	S	Bend	trans	-90.6	-2.8	174.1	-65.8	0	0	0	0	113.5	N368 R374	N368-C372 PolarHBondContact O-N 3.03Å; C372-R374 VanDerWaalsContact C-N 3.34Å; C372-R374 PolarHBondContact O-N 3.16Å
373	G	36	Very low	44	Very low	64 Å²	64	124.4 Å²	124.4	66%	0.66	68%	0.678	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79	4.1	-174.6	0	0	0	0	0	117.1
374	R	40.2	Very low	41.5	Very low	231 Å²	231	123 Å²	123	87%	0.872	68%	0.684	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.4	0.8	178.3	-73.3	-164.4	-164.1	-157	5.1	116.4	C372	C372-R374 VanDerWaalsContact C-N 3.34Å; C372-R374 PolarHBondContact O-N 3.16Å
375	H	32	Very low	39.1	Very low	168 Å²	168	130 Å²	130	78%	0.778	71%	0.705	S	S	*	*	S	Bend	trans	-130.4	104.7	170.4	-79.8	-80.8	0	0	0	112.4
376	V	30.2	Very low	37.2	Very low	133 Å²	133	136 Å²	136	81%	0.806	73%	0.733	S	S	*	*			trans	72.9	120.8	150.5	-168.4	0	0	0	0	116.9	L378	V376-L378 PolarHBondContact O-N 2.92Å
377	G	36.3	Very low	35.7	Very low	74 Å²	74	135.8 Å²	135.8	76%	0.763	74%	0.738	S	S	*	*			trans	-63.2	121.1	-176.4	0	0	0	0	0	113.5
378	L	26.8	Very low	34.3	Very low	159 Å²	159	136.7 Å²	136.7	83%	0.832	75%	0.749	S	S	*	*			trans	-152.1	44.7	161	-104	150.6	0	0	0	109.6	V376 R380	V376-L378 PolarHBondContact O-N 2.92Å; L378-R380 PolarHBondContact O-N 3.28Å
379	Q	27.7	Very low	33.2	Very low	190 Å²	190	139.2 Å²	139.2	89%	0.888	77%	0.768	S	S	*	*			trans	-78.1	70.1	159.8	-78.1	-171.1	-22.9	0	0	109.3
380	R	25.4	Very low	32.2	Very low	214 Å²	214	140.3 Å²	140.3	81%	0.808	78%	0.779	S	S	*	*			trans	-96.3	91.8	150.1	-83.2	-173.9	178	179.5	0.3	106.3	L378 F382	L378-R380 PolarHBondContact O-N 3.28Å; R380-F382 PolarHBondContact O-N 3.32Å
381	S	30.7	Very low	31.3	Very low	105 Å²	105	143.4 Å²	143.4	73%	0.734	79%	0.787	S	S	*	*			trans	-53.8	103.5	163.7	45.5	0	0	0	0	108.4	A383	S381-A383 PolarHBondContact O-N 3.26Å
382	F	27.3	Very low	30.4	Very low	195 Å²	195	145.1 Å²	145.1	86%	0.855	80%	0.795	S	S	*	*			trans	-70.6	72.5	156.4	-80	-87.4	0	0	0	107.8	R380	R380-F382 PolarHBondContact O-N 3.32Å
383	A	29.9	Very low	29.9	Very low	75 Å²	75	149.1 Å²	149.1	62%	0.62	81%	0.806	S	S	*	*			trans	-135.8	80.1	160.5	0	0	0	0	0	104.8	S381 R385	S381-A383 PolarHBondContact O-N 3.26Å; A383-R385 PolarHBondContact O-N 2.89Å; A383-R385 VanDerWaalsContact O-N 3.12Å
384	S	29.5	Very low	29.8	Very low	97 Å²	97	153.7 Å²	153.7	68%	0.678	82%	0.815	S	S	*	*			trans	-46.1	119.2	169.6	49.7	0	0	0	0	108.7	E386	S384-E386 PolarHBondContact O-N 3.33Å
385	R	29.6	Very low	29.8	Very low	242 Å²	242	148.7 Å²	148.7	91%	0.913	81%	0.812	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.2	26.3	-174.3	-154.4	175.4	170.9	179.5	-3.5	113.3	A383	A383-R385 PolarHBondContact O-N 2.89Å; A383-R385 VanDerWaalsContact O-N 3.12Å
386	E	30.3	Very low	30	Very low	182 Å²	182	143.7 Å²	143.7	85%	0.85	81%	0.806	S	S	*	*	T	Hydrogen-bonded Turn	trans	-116.2	-3.6	-174.3	-72.9	-176.5	163.2	0	0	114.4	S384	S384-E386 PolarHBondContact O-N 3.33Å
387	A	30.5	Very low	30.2	Very low	95 Å²	95	147.5 Å²	147.5	79%	0.785	81%	0.812	S	S	*	*	S	Bend	trans	-101.6	4.7	-176.2	0	0	0	0	0	116
388	A	27.7	Very low	30.4	Very low	94 Å²	94	147.2 Å²	147.2	78%	0.777	81%	0.809	S	S	*	*	S	Bend	trans	-123.7	20.3	-171	0	0	0	0	0	115.9
389	V	27.2	Very low	31.2	Very low	135 Å²	135	146.5 Å²	146.5	82%	0.818	81%	0.805	S	S	*	*	S	Bend	trans	-98.4	4.4	178	178.9	0	0	0	0	113.4
390	V	28.1	Very low	32.5	Very low	125 Å²	125	142.1 Å²	142.1	76%	0.758	79%	0.791	S	S	*	*	S	Bend	trans	-114.2	128.3	173.3	-171.1	0	0	0	0	108.2
391	L	28	Very low	33.7	Very low	163 Å²	163	139.1 Å²	139.1	85%	0.853	79%	0.79	S	S	*	*			trans	100.2	52	178.1	-49.4	176.4	0	0	0	116.8
392	Q	26.1	Very low	34.9	Very low	201 Å²	201	139 Å²	139	94%	0.939	79%	0.785	S	S	*	*			trans	-130.8	92	139	-83.8	-173.4	-39.3	0	0	108.4
393	M	28.7	Very low	36.7	Very low	190 Å²	190	133.3 Å²	133.3	94%	0.936	77%	0.767	S	S	*	*			trans	-96.5	109.2	162.4	-89.2	-176	152	0	0	107.4
394	D	32.7	Very low	38.4	Very low	159 Å²	159	135 Å²	135	85%	0.85	76%	0.764	S	S	*	*			trans	-71.5	126.7	177.7	-122.7	-22	0	0	0	110.3	G396	D394-G396 PolarHBondContact O-N 2.97Å; D394-G396 VanDerWaalsContact O-N 3.16Å
395	P	41.8	Very low	40.5	Very low	126 Å²	126	132.5 Å²	132.5	82%	0.818	75%	0.754	S	S	*	*	S	Bend	trans	-88.4	83.7	-173.6	34.4	-31.7	0	0	0	109.9
396	G	36.2	Very low	42.8	Very low	63 Å²	63	127.1 Å²	127.1	65%	0.649	74%	0.742	S	S	*	*			trans	-179.4	45.8	-179.1	0	0	0	0	0	117.3	D394	D394-G396 PolarHBondContact O-N 2.97Å; D394-G396 VanDerWaalsContact O-N 3.16Å
397	K	34.6	Very low	45	Very low	214 Å²	214	121.3 Å²	121.3	93%	0.93	73%	0.725	S	S	*	*	S	Bend	trans	-167.2	106.5	156.8	-104.1	151.5	-168.6	-174.3	0	112.6
398	G	39	Very low	47.4	Very low	68 Å²	68	120.5 Å²	120.5	70%	0.701	71%	0.713	S	S	*	*			trans	70.3	69.7	138.7	0	0	0	0	0	118.3	T400	G398-T400 PolarHBondContact O-N 3.38Å; G398-T400 VanDerWaalsContact O-N 3.17Å
399	I	43.5	Very low	50	Low	144 Å²	144	118.2 Å²	118.2	74%	0.738	70%	0.698	S	S	*	*			trans	-68.7	98.6	156	-61.7	163.5	0	0	0	107.2
400	T	55.8	Low	52.8	Low	97 Å²	97	114.1 Å²	114.1	60%	0.595	68%	0.678	S	S	*	*	S	Bend	trans	-157	-32.9	154.4	40.2	0	0	0	0	115	G398 I404	G398-T400 PolarHBondContact O-N 3.38Å; G398-T400 VanDerWaalsContact O-N 3.17Å; T400-I404 WeakPolarHBondContact O-CD1 3.37Å; T400-I404 WeakPolarHBondContact O-CG1 3.3Å
401	L	50.3	Low	55.6	Low	152 Å²	152	110.5 Å²	110.5	80%	0.796	66%	0.662	S	S	*	*	S	Bend	trans	-94.6	-40.7	-176.4	-105.3	90.8	0	0	0	115.5	G405	L401-G405 PolarHBondContact O-N 3.46Å
402	T	55.9	Low	58.5	Low	103 Å²	103	105 Å²	105	63%	0.632	64%	0.64	S	S	*	*	H	α-helix	trans	-75	-36.9	-174.6	48.7	0	0	0	0	112.7	I404 G405 I406	T402-I404 PolarHBondContact O-N 3.42Å; T402-G405 PolarHBondContact O-N 3.02Å; T402-I406 WeakPolarHBondContact O-CG1 3.4Å; T402-I406 PolarHBondContact O-N 3.04Å
403	T	64.7	Low	61.5	Low	75 Å²	75	97.3 Å²	97.3	46%	0.46	61%	0.614	S	S	.	*	H	α-helix	trans	-66.5	-37.3	179.2	-34.4	0	0	0	0	112.2	I406 A407	T403-I406 PolarHBondContact O-N 3.27Å; T403-A407 WeakPolarHBondContact O-CB 3.45Å; T403-A407 PolarHBondContact O-N 2.94Å
404	I	66.1	Low	64.5	Low	109 Å²	109	96.5 Å²	96.5	56%	0.559	60%	0.602	S	S	*	*	H	α-helix	trans	-66.2	-41.7	173.7	-61.8	178.3	0	0	0	109.8	T400 T402 I406 A407 C408	T400-I404 WeakPolarHBondContact O-CD1 3.37Å; T400-I404 WeakPolarHBondContact O-CG1 3.3Å; T402-I404 PolarHBondContact O-N 3.42Å; I404-I406 PolarHBondContact O-N 2.89Å; I404-A407 PolarHBondContact O-N 3.48Å; I404-C408 VanDerWaalsContact O-CB 3.32Å; I404-C408 WeakPolarHBondContact O-CB 3.43Å; I404-C408 PolarHBondContact O-N 3.43Å; I404-C408 PolarHBondContact O-SG 3.19Å
405	G	72.8	Confident	67.3	Low	45 Å²	45	94.1 Å²	94.1	46%	0.464	59%	0.588	S	S	.	*	H	α-helix	trans	-59.5	-44.4	175.7	0	0	0	0	0	113.4	L401 T402 G409	L401-G405 PolarHBondContact O-N 3.46Å; T402-G405 PolarHBondContact O-N 3.02Å; G405-G409 PolarHBondContact O-N 3.43Å
406	I	78.2	Confident	69.7	Low	129 Å²	129	94 Å²	94	66%	0.662	58%	0.58	S	S	*	*	H	α-helix	trans	-67.2	-43.6	177.8	-65.1	167.2	0	0	0	110.9	T402 T403 I404 G409 A410	T402-I406 WeakPolarHBondContact O-CG1 3.4Å; T402-I406 PolarHBondContact O-N 3.04Å; T403-I406 PolarHBondContact O-N 3.27Å; I404-I406 PolarHBondContact O-N 2.89Å; I406-G409 PolarHBondContact O-N 2.8Å; I406-A410 WeakPolarHBondContact O-CB 3.42Å; I406-A410 PolarHBondContact O-N 3.2Å
407	A	77	Confident	72.4	Confident	60 Å²	60	95.5 Å²	95.5	50%	0.496	57%	0.572	S	S	.	*	H	α-helix	trans	-64.2	-44.2	178.6	0	0	0	0	0	112	T403 I404 A410 A411	T403-A407 WeakPolarHBondContact O-CB 3.45Å; T403-A407 PolarHBondContact O-N 2.94Å; I404-A407 PolarHBondContact O-N 3.48Å; A407-A410 PolarHBondContact O-N 3.39Å; A407-A411 WeakPolarHBondContact O-CB 3.49Å; A407-A411 PolarHBondContact O-N 3.19Å
408	C	80.4	Confident	75.1	Confident	79 Å²	79	87.8 Å²	87.8	53%	0.534	55%	0.549	S	S	.	.	H	α-helix	trans	-64.9	-40.8	175.4	-70.9	0	0	0	0	112	I404 A411 A412	I404-C408 VanDerWaalsContact O-CB 3.32Å; I404-C408 WeakPolarHBondContact O-CB 3.43Å; I404-C408 PolarHBondContact O-N 3.43Å; I404-C408 PolarHBondContact O-SG 3.19Å; C408-A411 PolarHBondContact O-N 2.78Å; C408-A412 WeakPolarHBondContact O-CB 3.2Å; C408-A412 PolarHBondContact O-N 2.85Å
409	G	83.4	Confident	77.7	Confident	45 Å²	45	89 Å²	89	46%	0.464	54%	0.542	S	S	.	.	H	α-helix	trans	-64.3	-41.8	175.9	0	0	0	0	0	112.8	G405 I406 A412 G413	G405-G409 PolarHBondContact O-N 3.43Å; I406-G409 PolarHBondContact O-N 2.8Å; G409-A412 PolarHBondContact O-N 3.17Å; G409-G413 PolarHBondContact O-N 3.15Å
410	A	84.5	Confident	80.1	Confident	49 Å²	49	88.5 Å²	88.5	41%	0.405	54%	0.535	S	S	.	.	H	α-helix	trans	-64.9	-45.2	175.3	0	0	0	0	0	111.5	I406 A407 A412 G413 Y414	I406-A410 WeakPolarHBondContact O-CB 3.42Å; I406-A410 PolarHBondContact O-N 3.2Å; A407-A410 PolarHBondContact O-N 3.39Å; A410-A412 PolarHBondContact O-N 3.45Å; A410-G413 PolarHBondContact O-N 3.15Å; A410-Y414 VanDerWaalsContact O-CD2 3.26Å; A410-Y414 WeakPolarHBondContact O-CD2 3.28Å; A410-Y414 PolarHBondContact O-N 3.35Å
411	A	87	Confident	81.8	Confident	50 Å²	50	88.2 Å²	88.2	41%	0.413	53%	0.529	S	S	.	.	H	α-helix	trans	-61	-44.7	176.5	0	0	0	0	0	111.8	A407 C408 G413 Y414 I415	A407-A411 WeakPolarHBondContact O-CB 3.49Å; A407-A411 PolarHBondContact O-N 3.19Å; C408-A411 PolarHBondContact O-N 2.78Å; A411-G413 VanDerWaalsContact C-N 3.35Å; A411-G413 PolarHBondContact O-N 2.83Å; A411-Y414 PolarHBondContact O-N 3.35Å; A411-I415 VanDerWaalsContact O-CG1 3.27Å; A411-I415 WeakPolarHBondContact O-CG1 3.07Å; A411-I415 PolarHBondContact O-N 2.95Å
412	A	89	Confident	83.8	Confident	48 Å²	48	86.1 Å²	86.1	40%	0.397	52%	0.523	S	S	.	.	H	α-helix	trans	-61.1	-42.7	174.3	0	0	0	0	0	111.8	C408 G409 A410 Y414 I415 L416	C408-A412 WeakPolarHBondContact O-CB 3.2Å; C408-A412 PolarHBondContact O-N 2.85Å; G409-A412 PolarHBondContact O-N 3.17Å; A410-A412 PolarHBondContact O-N 3.45Å; A412-Y414 PolarHBondContact O-N 2.87Å; A412-I415 PolarHBondContact O-N 2.94Å; A412-L416 WeakPolarHBondContact O-CB 3.43Å; A412-L416 VanDerWaalsContact O-CG 3.26Å; A412-L416 WeakPolarHBondContact O-CG 3.47Å; A412-L416 PolarHBondContact O-N 3.33Å
413	G	89.9	Confident	85.3	Confident	39 Å²	39	85.2 Å²	85.2	40%	0.402	52%	0.52	S	S	.	.	H	α-helix	trans	-60.1	-43.5	175.3	0	0	0	0	0	113.1	G409 A410 A411 L416 L417	G409-G413 PolarHBondContact O-N 3.15Å; A410-G413 PolarHBondContact O-N 3.15Å; A411-G413 VanDerWaalsContact C-N 3.35Å; A411-G413 PolarHBondContact O-N 2.83Å; G413-L416 PolarHBondContact O-N 3.02Å; G413-L417 WeakPolarHBondContact O-CB 3.44Å; G413-L417 PolarHBondContact O-N 2.83Å
414	Y	90.8	Very high	86.5	Confident	173 Å²	173	87.4 Å²	87.4	68%	0.678	52%	0.521	S	S	*	.	H	α-helix	trans	-66.2	-40.8	176.2	-87.6	-69.7	0	0	0	112.8	A410 A411 A412 L417 A418	A410-Y414 VanDerWaalsContact O-CD2 3.26Å; A410-Y414 WeakPolarHBondContact O-CD2 3.28Å; A410-Y414 PolarHBondContact O-N 3.35Å; A411-Y414 PolarHBondContact O-N 3.35Å; A412-Y414 PolarHBondContact O-N 2.87Å; Y414-L417 PolarHBondContact O-N 3.12Å; Y414-A418 WeakPolarHBondContact O-CB 3.41Å; Y414-A418 PolarHBondContact O-N 2.83Å
415	I	92.1	Very high	87.3	Confident	109 Å²	109	85.5 Å²	85.5	56%	0.559	52%	0.517	S	S	*	.	H	α-helix	trans	-64.6	-44.2	176.6	-68	165.9	0	0	0	110.3	A411 A412 L417 A418 V419	A411-I415 VanDerWaalsContact O-CG1 3.27Å; A411-I415 WeakPolarHBondContact O-CG1 3.07Å; A411-I415 PolarHBondContact O-N 2.95Å; A412-I415 PolarHBondContact O-N 2.94Å; I415-L417 PolarHBondContact O-N 3.19Å; I415-A418 PolarHBondContact O-N 2.85Å; I415-V419 HydrophobicContact CG2-CG2 4.48Å; I415-V419 VanDerWaalsContact O-CG2 3.31Å; I415-V419 WeakPolarHBondContact O-CG2 3.39Å; I415-V419 PolarHBondContact O-N 3.36Å
416	L	93.3	Very high	87.7	Confident	122 Å²	122	85.3 Å²	85.3	64%	0.639	51%	0.514	S	S	*	.	H	α-helix	trans	-63	-41.3	176.6	-71.7	172.5	0	0	0	112	A412 G413 V419 F420	A412-L416 WeakPolarHBondContact O-CB 3.43Å; A412-L416 VanDerWaalsContact O-CG 3.26Å; A412-L416 WeakPolarHBondContact O-CG 3.47Å; A412-L416 PolarHBondContact O-N 3.33Å; G413-L416 PolarHBondContact O-N 3.02Å; L416-V419 PolarHBondContact O-N 2.8Å; L416-F420 WeakPolarHBondContact O-CB 3.45Å; L416-F420 PolarHBondContact O-N 3.05Å
417	L	92.7	Very high	88	Confident	95 Å²	95	85.5 Å²	85.5	50%	0.497	51%	0.508	S	S	.	.	H	α-helix	trans	-62.2	-44.4	174.7	-176.7	67.2	0	0	0	111.5	G413 Y414 I415 F420 L421	G413-L417 WeakPolarHBondContact O-CB 3.44Å; G413-L417 PolarHBondContact O-N 2.83Å; Y414-L417 PolarHBondContact O-N 3.12Å; I415-L417 PolarHBondContact O-N 3.19Å; L417-F420 PolarHBondContact O-N 2.81Å; L417-L421 HydrophobicContact CG-CD1 4.19Å; L417-L421 WeakPolarHBondContact O-CB 3.3Å; L417-L421 VanDerWaalsContact O-CG 3.29Å; L417-L421 WeakPolarHBondContact O-CG 3.26Å; L417-L421 PolarHBondContact O-N 3.35Å
418	A	91.6	Very high	88.2	Confident	53 Å²	53	90.9 Å²	90.9	44%	0.438	52%	0.515	S	S	.	.	H	α-helix	trans	-63.6	-44.8	178.3	0	0	0	0	0	111.9	Y414 I415 F420 L421 V422	Y414-A418 WeakPolarHBondContact O-CB 3.41Å; Y414-A418 PolarHBondContact O-N 2.83Å; I415-A418 PolarHBondContact O-N 2.85Å; A418-F420 VanDerWaalsContact C-N 3.34Å; A418-F420 PolarHBondContact O-N 3.31Å; A418-L421 PolarHBondContact O-N 2.98Å; A418-V422 WeakPolarHBondContact O-CG2 3.28Å; A418-V422 PolarHBondContact O-N 3.22Å
419	V	92.6	Very high	87.9	Confident	92 Å²	92	96.1 Å²	96.1	56%	0.558	52%	0.524	S	S	*	.	H	α-helix	trans	-61.3	-43.1	175.2	171.9	0	0	0	0	110.9	I415 L416 V422 S423	I415-V419 HydrophobicContact CG2-CG2 4.48Å; I415-V419 VanDerWaalsContact O-CG2 3.31Å; I415-V419 WeakPolarHBondContact O-CG2 3.39Å; I415-V419 PolarHBondContact O-N 3.36Å; L416-V419 PolarHBondContact O-N 2.8Å; V419-V422 PolarHBondContact O-N 3.12Å; V419-S423 VanDerWaalsContact O-CB 3.31Å; V419-S423 WeakPolarHBondContact O-CB 3.49Å; V419-S423 PolarHBondContact O-N 3.14Å
420	F	93.8	Very high	87.6	Confident	135 Å²	135	103.1 Å²	103.1	59%	0.592	54%	0.536	S	S	*	.	H	α-helix	trans	-60.6	-46.3	175.8	179.5	-94.9	0	0	0	111.8	L416 L417 A418 S423 Y424	L416-F420 WeakPolarHBondContact O-CB 3.45Å; L416-F420 PolarHBondContact O-N 3.05Å; L417-F420 PolarHBondContact O-N 2.81Å; A418-F420 VanDerWaalsContact C-N 3.34Å; A418-F420 PolarHBondContact O-N 3.31Å; F420-S423 PolarHBondContact O-N 3.27Å; F420-Y424 VanDerWaalsContact O-CB 3.23Å; F420-Y424 WeakPolarHBondContact O-CB 3.3Å; F420-Y424 PolarHBondContact O-N 2.99Å
421	L	92.7	Very high	86.9	Confident	90 Å²	90	108.4 Å²	108.4	47%	0.471	55%	0.546	S	S	.	.	H	α-helix	trans	-63.5	-43.1	178.8	-72.4	172.5	0	0	0	112.1	L417 A418 Y424 C425	L417-L421 HydrophobicContact CG-CD1 4.19Å; L417-L421 WeakPolarHBondContact O-CB 3.3Å; L417-L421 VanDerWaalsContact O-CG 3.29Å; L417-L421 WeakPolarHBondContact O-CG 3.26Å; L417-L421 PolarHBondContact O-N 3.35Å; A418-L421 PolarHBondContact O-N 2.98Å; L421-Y424 PolarHBondContact O-N 3.37Å; L421-C425 WeakPolarHBondContact O-CB 3.4Å; L421-C425 PolarHBondContact O-N 3.19Å; L421-C425 PolarHBondContact O-SG 3.37Å
422	V	90.3	Very high	85.7	Confident	109 Å²	109	109 Å²	109	66%	0.661	55%	0.547	S	S	*	.	H	α-helix	trans	-63.2	-44.9	176	172.4	0	0	0	0	111	A418 V419 C425 G426	A418-V422 WeakPolarHBondContact O-CG2 3.28Å; A418-V422 PolarHBondContact O-N 3.22Å; V419-V422 PolarHBondContact O-N 3.12Å; V422-C425 PolarHBondContact O-N 3.27Å; V422-G426 PolarHBondContact O-N 3.42Å
423	S	88.3	Confident	84.5	Confident	83 Å²	83	116.3 Å²	116.3	58%	0.58	56%	0.564	S	S	*	*	H	α-helix	trans	-64.8	-41.5	178.3	-159.2	0	0	0	0	111.7	V419 F420 G426 Y427	V419-S423 VanDerWaalsContact O-CB 3.31Å; V419-S423 WeakPolarHBondContact O-CB 3.49Å; V419-S423 PolarHBondContact O-N 3.14Å; F420-S423 PolarHBondContact O-N 3.27Å; S423-G426 PolarHBondContact O-N 3.42Å; S423-Y427 WeakPolarHBondContact O-CB 3.3Å; S423-Y427 PolarHBondContact O-N 3.3Å
424	Y	90.2	Very high	82.8	Confident	122 Å²	122	119.8 Å²	119.8	48%	0.478	57%	0.573	S	S	.	*	H	α-helix	trans	-64.1	-42.4	174.6	-178.3	-101.2	0	0	0	112.3	F420 L421 G426 Y427 R428	F420-Y424 VanDerWaalsContact O-CB 3.23Å; F420-Y424 WeakPolarHBondContact O-CB 3.3Å; F420-Y424 PolarHBondContact O-N 2.99Å; L421-Y424 PolarHBondContact O-N 3.37Å; Y424-G426 VanDerWaalsContact C-N 3.33Å; Y424-G426 PolarHBondContact O-N 2.97Å; Y424-Y427 PolarHBondContact O-N 3.23Å; Y424-R428 WeakPolarHBondContact O-CB 3.24Å; Y424-R428 PolarHBondContact O-N 2.9Å
425	C	83.2	Confident	80.9	Confident	69 Å²	69	115 Å²	115	47%	0.466	57%	0.569	S	S	.	*	H	α-helix	trans	-61.6	-40.8	172.4	-75.4	0	0	0	0	111.8	L421 V422 R428 R429	L421-C425 WeakPolarHBondContact O-CB 3.4Å; L421-C425 PolarHBondContact O-N 3.19Å; L421-C425 PolarHBondContact O-SG 3.37Å; V422-C425 PolarHBondContact O-N 3.27Å; C425-R428 PolarHBondContact O-N 3.32Å; C425-R429 WeakPolarHBondContact O-CB 3.5Å; C425-R429 WeakPolarHBondContact O-CG 3.42Å; C425-R429 PolarHBondContact O-N 2.85Å
426	G	81.1	Confident	78.6	Confident	40 Å²	40	118.2 Å²	118.2	41%	0.412	58%	0.579	S	S	.	*	H	α-helix	trans	-61.3	-48.8	173.4	0	0	0	0	0	112.5	V422 S423 Y424 R428 R429 R430	V422-G426 PolarHBondContact O-N 3.42Å; S423-G426 PolarHBondContact O-N 3.42Å; Y424-G426 VanDerWaalsContact C-N 3.33Å; Y424-G426 PolarHBondContact O-N 2.97Å; G426-R428 PolarHBondContact O-N 3.45Å; G426-R429 PolarHBondContact O-N 3.08Å; G426-R430 WeakPolarHBondContact O-CB 3.34Å; G426-R430 PolarHBondContact O-N 2.83Å
427	Y	85.1	Confident	75.9	Confident	134 Å²	134	116.7 Å²	116.7	53%	0.525	58%	0.579	S	S	.	*	H	α-helix	trans	-57.4	-48.6	174.7	170.5	-97.5	0	0	0	111.7	S423 Y424 R429 R430 R431	S423-Y427 WeakPolarHBondContact O-CB 3.3Å; S423-Y427 PolarHBondContact O-N 3.3Å; Y424-Y427 PolarHBondContact O-N 3.23Å; Y427-R429 PolarHBondContact O-N 3.46Å; Y427-R430 PolarHBondContact O-N 3.45Å; Y427-R431 WeakPolarHBondContact O-CB 3.19Å; Y427-R431 PolarHBondContact O-N 3.28Å
428	R	80.1	Confident	73	Confident	173 Å²	173	116.4 Å²	116.4	65%	0.653	59%	0.585	S	S	*	*	H	α-helix	trans	-62.3	-42.3	178.7	-176.8	178.8	162.4	-179.1	-4.4	111.8	Y424 C425 G426 R431 S432	Y424-R428 WeakPolarHBondContact O-CB 3.24Å; Y424-R428 PolarHBondContact O-N 2.9Å; C425-R428 PolarHBondContact O-N 3.32Å; G426-R428 PolarHBondContact O-N 3.45Å; R428-R431 PolarHBondContact O-N 3.34Å; R428-S432 WeakPolarHBondContact O-CB 3.44Å; R428-S432 PolarHBondContact O-N 3.14Å
429	R	75.3	Confident	70.1	Confident	189 Å²	189	123 Å²	123	71%	0.713	61%	0.607	S	S	*	*	H	α-helix	trans	-62.7	-41.8	174.3	-77.8	-179.7	179.7	178.8	1.5	111.6	C425 G426 Y427 S432 R433	C425-R429 WeakPolarHBondContact O-CB 3.5Å; C425-R429 WeakPolarHBondContact O-CG 3.42Å; C425-R429 PolarHBondContact O-N 2.85Å; G426-R429 PolarHBondContact O-N 3.08Å; Y427-R429 PolarHBondContact O-N 3.46Å; R429-S432 PolarHBondContact O-N 3.43Å; R429-R433 PolarHBondContact O-N 3.27Å; R429-R433 VanDerWaalsContact O-N 3.15Å
430	R	75.3	Confident	67	Low	191 Å²	191	124.8 Å²	124.8	72%	0.721	62%	0.621	S	S	*	*	H	α-helix	trans	-64.6	-43.5	176.8	-166.7	172.7	-173.3	164.1	1	111.8	G426 Y427 S432 R433 L434	G426-R430 WeakPolarHBondContact O-CB 3.34Å; G426-R430 PolarHBondContact O-N 2.83Å; Y427-R430 PolarHBondContact O-N 3.45Å; R430-S432 VanDerWaalsContact C-N 3.34Å; R430-S432 PolarHBondContact O-N 2.89Å; R430-R433 PolarHBondContact O-N 3.4Å; R430-L434 PolarHBondContact O-N 2.93Å; R430-L434 VanDerWaalsContact O-N 3.15Å
431	R	70.1	Confident	63.8	Low	161 Å²	161	124.5 Å²	124.5	61%	0.608	63%	0.63	S	S	*	*	H	α-helix	trans	-64.1	-38.1	176	-153.9	177	98.2	171.2	6.7	112.2	Y427 R428 R433 L434 A435	Y427-R431 WeakPolarHBondContact O-CB 3.19Å; Y427-R431 PolarHBondContact O-N 3.28Å; R428-R431 PolarHBondContact O-N 3.34Å; R431-R433 VanDerWaalsContact C-N 3.31Å; R431-R433 PolarHBondContact O-N 2.84Å; R431-L434 PolarHBondContact O-N 3.39Å; R431-A435 WeakPolarHBondContact O-CB 3.48Å; R431-A435 PolarHBondContact O-N 2.9Å
432	S	62	Low	60.8	Low	62 Å²	62	125.9 Å²	125.9	43%	0.434	65%	0.645	S	S	.	*	H	α-helix	trans	-65.8	-29.5	174.3	179	0	0	0	0	113.3	R428 R429 R430 K436	R428-S432 WeakPolarHBondContact O-CB 3.44Å; R428-S432 PolarHBondContact O-N 3.14Å; R429-S432 PolarHBondContact O-N 3.43Å; R430-S432 VanDerWaalsContact C-N 3.34Å; R430-S432 PolarHBondContact O-N 2.89Å; S432-K436 PolarHBondContact O-N 3.25Å
433	R	65.2	Low	57.7	Low	202 Å²	202	128.8 Å²	128.8	76%	0.762	66%	0.656	S	S	*	*	H	α-helix	trans	-73.1	-41.3	173.9	-71.3	-177	-171.3	174.8	1.7	111.6	R429 R430 R431 K436	R429-R433 PolarHBondContact O-N 3.27Å; R429-R433 VanDerWaalsContact O-N 3.15Å; R430-R433 PolarHBondContact O-N 3.4Å; R431-R433 VanDerWaalsContact C-N 3.31Å; R431-R433 PolarHBondContact O-N 2.84Å; R433-K436 PolarHBondContact O-N 3.12Å
434	L	53.6	Low	54.6	Low	112 Å²	112	133.6 Å²	133.6	59%	0.586	67%	0.669	S	S	*	*	H	α-helix	trans	-66.7	-34.2	175.4	-74.6	161.5	0	0	0	112.7	R430 R431 K436 S437 S438	R430-L434 PolarHBondContact O-N 2.93Å; R430-L434 VanDerWaalsContact O-N 3.15Å; R431-L434 PolarHBondContact O-N 3.39Å; L434-K436 VanDerWaalsContact C-N 3.26Å; L434-K436 PolarHBondContact O-N 3.26Å; L434-S437 PolarHBondContact O-N 3.11Å; L434-S437 PolarHBondContact O-OG 2.96Å; L434-S438 PolarHBondContact O-OG 2.77Å
435	A	49.6	Very low	51.5	Low	72 Å²	72	134.4 Å²	134.4	60%	0.595	69%	0.686	S	S	*	*	H	α-helix	trans	-69.7	-22.2	175.5	0	0	0	0	0	113.4	R431	R431-A435 WeakPolarHBondContact O-CB 3.48Å; R431-A435 PolarHBondContact O-N 2.9Å
436	K	44.1	Very low	48.7	Very low	176 Å²	176	139.8 Å²	139.8	77%	0.765	70%	0.704	S	S	*	*	H	α-helix	trans	-87.8	-11	178.2	-77.6	-175.2	177.6	-173.8	0	113.9	S432 R433 L434	S432-K436 PolarHBondContact O-N 3.25Å; R433-K436 PolarHBondContact O-N 3.12Å; L434-K436 VanDerWaalsContact C-N 3.26Å; L434-K436 PolarHBondContact O-N 3.26Å
437	S	36.2	Very low	46.1	Very low	91 Å²	91	142.9 Å²	142.9	64%	0.636	73%	0.726	S	S	*	*	S	Bend	trans	-90.9	1.5	174.4	56.8	0	0	0	0	113.8	L434	L434-S437 PolarHBondContact O-N 3.11Å; L434-S437 PolarHBondContact O-OG 2.96Å
438	S	32.7	Very low	43.3	Very low	89 Å²	89	141.2 Å²	141.2	62%	0.622	74%	0.74	S	S	*	*			trans	-112.7	57.9	-175.6	-45.1	0	0	0	0	111.7	L434	L434-S438 PolarHBondContact O-OG 2.77Å
439	Q	31	Very low	40.5	Very low	192 Å²	192	138.1 Å²	138.1	90%	0.897	75%	0.751	S	S	*	*			trans	-125	88	162.4	-89.5	179	-12.4	0	0	108.3
440	C	26.9	Very low	38.2	Very low	129 Å²	129	132.9 Å²	132.9	87%	0.872	76%	0.756	S	S	*	*			trans	-76.9	124.4	169.2	-83.7	0	0	0	0	110.6
441	V	27.3	Very low	35.6	Very low	128 Å²	128	133.9 Å²	133.9	78%	0.776	77%	0.766	S	S	*	*			trans	1.4	127.8	151.3	-169.1	0	0	0	0	117.9
442	P	28.9	Very low	33.3	Very low	119 Å²	119	134.7 Å²	134.7	77%	0.773	78%	0.779	S	S	*	*	P	Polyproline II helix	trans	-79.5	137	174.5	31.3	-31.2	0	0	0	112.6
443	L	25.2	Very low	31.3	Very low	170 Å²	170	135.1 Å²	135.1	89%	0.89	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-62.9	125.8	174.1	-89.9	110.9	0	0	0	111.9
444	Q	22.9	Very low	29.3	Very low	185 Å²	185	133 Å²	133	86%	0.864	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-73.2	125.8	164.7	-72	179.1	-43.2	0	0	109.8
445	V	26.4	Very low	27.7	Very low	139 Å²	139	131.6 Å²	131.6	84%	0.842	80%	0.8	S	S	*	*			trans	-110.5	120.8	157.7	175	0	0	0	0	107.4
446	Q	22.9	Very low	26.6	Very low	181 Å²	181	135.9 Å²	135.9	85%	0.846	81%	0.813	S	S	*	*			trans	-69.3	133	-178.3	-69.1	148.4	-52.2	0	0	111.2
447	A	26.3	Very low	25.6	Very low	105 Å²	105	130.9 Å²	130.9	87%	0.868	81%	0.811	S	S	*	*			trans	-131.3	121.9	146.6	0	0	0	0	0	107.2
448	A	26.3	Very low	25	Very low	99 Å²	99	135.2 Å²	135.2	82%	0.818	83%	0.826	S	S	*	*			trans	-77.6	142.1	-164.3	0	0	0	0	0	113.4
449	A	21.9	Very low	24.4	Very low	108 Å²	108	136 Å²	136	89%	0.893	83%	0.831	S	S	*	*			trans	26	123	138	0	0	0	0	0	120
450	G	26.4	Very low	24	Very low	79 Å²	79	134.7 Å²	134.7	81%	0.814	83%	0.83	S	S	*	*			trans	-171.1	81.2	159.8	0	0	0	0	0	112
451	K	21.3	Very low	23.8	Very low	212 Å²	212	132.6 Å²	132.6	92%	0.922	82%	0.817	S	S	*	*			trans	-58.7	130.6	168.8	-74.1	171.2	171.3	175.7	0	110.5
452	M	22.3	Very low	23.6	Very low	178 Å²	178	131.9 Å²	131.9	88%	0.877	82%	0.817	S	S	*	*			trans	-159.7	115.4	137.8	-146.4	156.7	-167.3	0	0	109.3
453	G	20	Very low	23.4	Very low	72 Å²	72	133.2 Å²	133.2	74%	0.742	82%	0.823	S	S	*	*			trans	-89.5	145.8	163.2	0	0	0	0	0	109.4
454	I	23.3	Very low	23.3	Very low	158 Å²	158	134 Å²	134	81%	0.81	82%	0.822	S	S	*	*			trans	-145.6	130.7	145.4	-66.5	-167	0	0	0	107.2
455	A	20.7	Very low	23.1	Very low	81 Å²	81	130.1 Å²	130.1	67%	0.669	82%	0.821	S	S	*	*			trans	-73.9	151.8	174	0	0	0	0	0	112.2
456	N	26.4	Very low	22.9	Very low	163 Å²	163	129.7 Å²	129.7	87%	0.872	83%	0.825	S	S	*	*			trans	175.1	112.6	145.9	-84.6	-17.5	0	0	0	104.3
457	G	21.7	Very low	23.1	Very low	71 Å²	71	124.5 Å²	124.5	73%	0.732	82%	0.82	S	S	*	*			cis	88.2	69.1	41.4	0	0	0	0	0	109.2
458	L	24.7	Very low	22.8	Very low	181 Å²	181	128 Å²	128	95%	0.948	82%	0.824	S	S	*	*			trans	-151.8	92.2	161.9	-96.4	169.8	0	0	0	109.3
459	S	18.6	Very low	22.7	Very low	105 Å²	105	126.8 Å²	126.8	73%	0.734	82%	0.821	S	S	*	*			trans	-91.5	132.2	158.1	27	0	0	0	0	108.1
460	L	24.5	Very low	22.7	Very low	166 Å²	166	130.4 Å²	130.4	87%	0.869	82%	0.819	S	S	*	*			trans	-158.9	114.2	144	-131.5	94.8	0	0	0	111.4
461	S	22.9	Very low	22.5	Very low	84 Å²	84	135.3 Å²	135.3	59%	0.587	83%	0.826	S	S	*	*			trans	48.8	106.3	138.8	57.6	0	0	0	0	121.3
462	S	22.2	Very low	22.6	Very low	113 Å²	113	132.8 Å²	132.8	79%	0.79	82%	0.822	S	S	*	*				9.9	118	118.1	58.8	0	0	0	0	118.3
463	V	25.6	Very low	22.5	Very low	148 Å²	148	131.9 Å²	131.9	90%	0.897	82%	0.82	S	S	*	*			trans	-117.3	118	152.2	174.8	0	0	0	0	107.4
464	Q	21.5	Very low	22.8	Very low	187 Å²	187	134.4 Å²	134.4	87%	0.874	82%	0.823	S	S	*	*			trans	-74.2	149	176.7	-79.2	169	-56.9	0	0	111.5
465	A	19.9	Very low	22.7	Very low	102 Å²	102	133.7 Å²	133.7	84%	0.843	83%	0.826	S	S	*	*			trans	-68.5	138.3	167.9	0	0	0	0	0	112.2
466	S	22.6	Very low	23	Very low	131 Å²	131	133.6 Å²	133.6	92%	0.916	83%	0.832	S	S	*	*			trans	-173	133.4	148.4	-179.6	0	0	0	0	108.8
467	G	25.1	Very low	22.7	Very low	72 Å²	72	130.2 Å²	130.2	74%	0.742	83%	0.827	S	S	*	*			trans	139.9	80.2	163.5	0	0	0	0	0	115.5
468	N	22	Very low	23	Very low	178 Å²	178	132.6 Å²	132.6	95%	0.952	83%	0.832	S	S	*	*			trans	-61.7	148.8	159.6	-68	-30.8	0	0	0	110.9
469	G	23.9	Very low	22.8	Very low	73 Å²	73	129 Å²	129	75%	0.753	82%	0.822	S	S	*	*			trans	160	84	163.7	0	0	0	0	0	116
470	E	21.8	Very low	22.9	Very low	184 Å²	184	128.8 Å²	128.8	86%	0.86	82%	0.82	S	S	*	*			trans	42.1	110.2	143	-64.7	-178.2	152.6	0	0	120.6
471	L	22.6	Very low	22.9	Very low	182 Å²	182	127.9 Å²	127.9	95%	0.953	82%	0.816	S	S	*	*			trans	-97.2	97.8	167.9	-158.4	83.2	0	0	0	109.2
472	L	22.3	Very low	23	Very low	159 Å²	159	132 Å²	132	83%	0.832	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-78.6	139.4	173.4	-80.5	166	0	0	0	111.7
473	L	20.4	Very low	23	Very low	160 Å²	160	133.4 Å²	133.4	84%	0.838	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-67	138.2	178.7	-66.8	162.5	0	0	0	112.2
474	P	26.1	Very low	23.2	Very low	125 Å²	125	132.1 Å²	132.1	81%	0.812	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-87.4	117.4	171.9	27.4	-20.3	0	0	0	111.4
475	V	21.6	Very low	23.4	Very low	143 Å²	143	129 Å²	129	87%	0.867	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-79.9	117.5	159	173.3	0	0	0	0	107.5
476	G	26.4	Very low	23.9	Very low	78 Å²	78	129.3 Å²	129.3	80%	0.804	82%	0.817	S	S	*	*			trans	-123.2	93.9	171.4	0	0	0	0	0	109.4
477	A	20.8	Very low	24.1	Very low	93 Å²	93	128 Å²	128	77%	0.769	82%	0.815	S	S	*	*			trans	-84.5	128.1	167.4	0	0	0	0	0	109.2
478	S	28.2	Very low	24.1	Very low	120 Å²	120	129.9 Å²	129.9	84%	0.839	82%	0.815	S	S	*	*			trans	-139	111.9	163.8	-64.8	0	0	0	0	110.1
479	S	19.8	Very low	24.3	Very low	105 Å²	105	128 Å²	128	73%	0.734	81%	0.809	S	S	*	*			trans	-40.4	159	151.3	-172.3	0	0	0	0	111.7
480	C	20.1	Very low	24.4	Very low	102 Å²	102	130 Å²	130	69%	0.689	81%	0.812	S	S	*	*			cis	-171.6	176.1	34.7	-9.9	0	0	0	0	110.5
481	N	25.7	Very low	24.9	Very low	147 Å²	147	125.3 Å²	125.3	79%	0.786	80%	0.8	S	S	*	*			trans	89.5	106.1	162.2	-67.4	-4.7	0	0	0	116.9
482	Q	23.8	Very low	25.2	Very low	170 Å²	170	122.1 Å²	122.1	79%	0.794	79%	0.792	S	S	*	*				71.5	115.2	61.9	-68.9	-157.2	18.7	0	0	115.7
483	N	23.3	Very low	25.5	Very low	142 Å²	142	122.8 Å²	122.8	76%	0.759	80%	0.795	S	S	*	*			trans	68.2	96.3	150	-64.5	-3	0	0	0	120.1
484	S	29.2	Very low	25.9	Very low	122 Å²	122	119.6 Å²	119.6	85%	0.853	79%	0.786	S	S	*	*				-153.6	127.1	126.3	-23.4	0	0	0	0	109.8
485	S	25.1	Very low	26	Very low	122 Å²	122	118.2 Å²	118.2	85%	0.853	78%	0.779	S	S	*	*			trans	-72.2	117.2	175.9	48.9	0	0	0	0	111.9
486	S	30.9	Very low	26.5	Very low	107 Å²	107	122.7 Å²	122.7	75%	0.748	78%	0.781	S	S	*	*			trans	-160.7	120	150	44.5	0	0	0	0	110.4	C488	S486-C488 PolarHBondContact O-N 2.9Å
487	A	27	Very low	26.6	Very low	105 Å²	105	129.7 Å²	129.7	87%	0.868	78%	0.783	S	S	*	*			trans	-21.6	107.6	179.2	0	0	0	0	0	117.3
488	C	24.3	Very low	27.1	Very low	111 Å²	111	131 Å²	131	75%	0.75	78%	0.781	S	S	*	*			trans	-96.7	105.7	165	-3.3	0	0	0	0	109.6	S486 S490	S486-C488 PolarHBondContact O-N 2.9Å; C488-S490 PolarHBondContact O-N 3.04Å; C488-S490 PolarHBondContact O-OG 2.76Å
489	V	27.5	Very low	27.3	Very low	138 Å²	138	136.5 Å²	136.5	84%	0.836	78%	0.783	S	S	*	*			trans	-60	105.7	162.3	174.2	0	0	0	0	107.9
490	S	26.4	Very low	28.2	Very low	115 Å²	115	137.4 Å²	137.4	80%	0.804	78%	0.779	S	S	*	*			trans	-100.3	94.4	175	-59.4	0	0	0	0	108.6	C488	C488-S490 PolarHBondContact O-N 3.04Å; C488-S490 PolarHBondContact O-OG 2.76Å
491	S	31.9	Very low	29.4	Very low	86 Å²	86	135.7 Å²	135.7	60%	0.601	77%	0.766	S	S	*	*			trans	-144.6	92.1	158.2	63.6	0	0	0	0	109.6	I493	S491-I493 PolarHBondContact O-N 3.45Å
492	S	28.6	Very low	31.3	Very low	114 Å²	114	131.4 Å²	131.4	80%	0.797	75%	0.745	S	S	*	*			trans	37.7	80.5	142.5	58.1	0	0	0	0	116.8	S494	S492-S494 PolarHBondContact O-N 3.31Å
493	I	28.3	Very low	33.8	Very low	173 Å²	173	125.4 Å²	125.4	89%	0.887	72%	0.72	S	S	*	*			trans	-73.5	83	151.8	-62	174.5	0	0	0	106.2	S491 S495	S491-I493 PolarHBondContact O-N 3.45Å; I493-S495 PolarHBondContact O-N 2.63Å
494	S	29.8	Very low	36.3	Very low	94 Å²	94	119.6 Å²	119.6	66%	0.657	69%	0.689	S	S	*	*			trans	-51.7	125.7	163.9	179.1	0	0	0	0	107.9	S492 R496	S492-S494 PolarHBondContact O-N 3.31Å; S494-R496 PolarHBondContact O-N 2.85Å
495	S	28.4	Very low	38.6	Very low	95 Å²	95	119 Å²	119	66%	0.664	67%	0.673	S	S	*	*			trans	-47.3	97.7	172	53.8	0	0	0	0	110.9	I493 R497	I493-S495 PolarHBondContact O-N 2.63Å; S495-R497 PolarHBondContact O-N 2.93Å
496	R	30.2	Very low	41.4	Very low	238 Å²	238	121.8 Å²	121.8	90%	0.898	66%	0.664	S	S	*	*			trans	-72	65.4	158.4	-77.9	-177.2	177.5	173.7	-0.6	108.8	S494 T498	S494-R496 PolarHBondContact O-N 2.85Å; R496-T498 PolarHBondContact O-N 2.85Å; R496-T498 VanDerWaalsContact O-N 3.15Å
497	R	28.8	Very low	44.2	Very low	225 Å²	225	118.5 Å²	118.5	85%	0.849	64%	0.638	S	S	*	*			trans	-72.5	86.3	148.4	-83.3	-178.9	174	167.6	-1.7	105.2	S495 R499	S495-R497 PolarHBondContact O-N 2.93Å; R497-R499 PolarHBondContact O-N 3.46Å
498	T	32	Very low	47.2	Very low	119 Å²	119	116.4 Å²	116.4	73%	0.73	61%	0.611	S	S	*	*			trans	-55.1	107.2	162.3	24.6	0	0	0	0	106.6	R496 L500	R496-T498 PolarHBondContact O-N 2.85Å; R496-T498 VanDerWaalsContact O-N 3.15Å; T498-L500 PolarHBondContact O-N 3.37Å
499	R	32	Very low	50.4	Low	236 Å²	236	112.2 Å²	112.2	89%	0.891	58%	0.579	S	S	*	*			trans	-55.6	113.8	167.6	-67.8	-179.8	-172.9	-179.9	1.7	105.4	R497 T501	R497-R499 PolarHBondContact O-N 3.46Å; R499-T501 PolarHBondContact O-N 2.71Å; R499-T501 VanDerWaalsContact O-N 3.09Å
500	L	39.3	Very low	53.4	Low	124 Å²	124	108 Å²	108	65%	0.649	56%	0.555	S	S	*	*			trans	-60.4	114.7	177.3	-100.3	97.5	0	0	0	107.8	T498	T498-L500 PolarHBondContact O-N 3.37Å
501	T	45.1	Very low	56.4	Low	66 Å²	66	106 Å²	106	41%	0.405	53%	0.53	S	S	.	.			trans	-69.3	138.4	174	52.3	0	0	0	0	110.5	R499 E505	R499-T501 PolarHBondContact O-N 2.71Å; R499-T501 VanDerWaalsContact O-N 3.09Å; T501-E505 WeakPolarHBondContact CA-OE2 3.12Å; T501-E505 WeakPolarHBondContact CB-OE2 3.48Å; T501-E505 VanDerWaalsContact CG2-OE2 3.28Å; T501-E505 WeakPolarHBondContact CG2-OE2 3.35Å
502	T	66.3	Low	59.1	Low	58 Å²	58	109 Å²	109	36%	0.356	53%	0.534	S	S	.	.			trans	-65	161.6	177.9	61	0	0	0	0	112.2	L504 E505 R506	T502-L504 PolarHBondContact O-N 2.78Å; T502-E505 PolarHBondContact N-OE2 2.89Å; T502-E505 PolarHBondContact O-N 3.5Å; T502-E505 VanDerWaalsContact OG1-CD 3.25Å; T502-E505 VanDerWaalsContact OG1-CG 3.25Å; T502-E505 WeakPolarHBondContact OG1-CG 3.48Å; T502-E505 PolarHBondContact OG1-N 3.47Å; T502-E505 PolarHBondContact OG1-OE1 3.24Å; T502-R506 PolarHBondContact O-N 2.82Å
503	T	74.8	Confident	62.1	Low	43 Å²	43	109.3 Å²	109.3	26%	0.264	52%	0.519	S	S	.	.	H	α-helix	trans	-59	-36.8	178	-54.8	0	0	0	0	111.5	R506 L507 A569	T503-R506 PolarHBondContact O-N 2.7Å; T503-L507 HydrophobicContact CG2-CD1 4.47Å; T503-L507 PolarHBondContact O-N 2.89Å; T503-A569 HydrophobicContact CG2-CB 3.62Å
504	L	75.8	Confident	65.1	Low	21 Å²	21	102.2 Å²	102.2	11%	0.11	48%	0.482	C	S	.	.	H	α-helix	trans	-69	-36.3	177.3	-70.8	178.4	0	0	0	113	T502 R506 L507 Q508 L562 M565 E566 L579 I582	T502-L504 PolarHBondContact O-N 2.78Å; L504-R506 PolarHBondContact O-N 3.35Å; L504-L507 CarbonylContact O-C 3.56Å; L504-L507 PolarHBondContact O-N 3.15Å; L504-Q508 PolarHBondContact O-N 2.77Å; L504-L562 HydrophobicContact CD1-CB 4.25Å; L504-L562 HydrophobicContact CD1-CD2 4.36Å; L504-L562 WeakPolarHBondContact CD1-O 3.48Å; L504-M565 HydrophobicContact CD2-CB 3.98Å; L504-E566 HydrophobicContact CD1-CB 3.82Å; L504-E566 HydrophobicContact CD2-CB 4.48Å; L504-E566 HydrophobicContact CG-CB 3.9Å; L504-E566 HydrophobicContact CG-CG 4.26Å; L504-L579 HydrophobicContact CD2-CD2 4.32Å; L504-I582 HydrophobicContact CD2-CD1 4.41Å
505	E	78.9	Confident	67.9	Low	108 Å²	108	103.5 Å²	103.5	51%	0.505	48%	0.478	S	S	.	.	H	α-helix	trans	-60.4	-35.2	174.6	-79.1	162.3	-138.6	0	0	112	T501 T502 L507 Q508	T501-E505 WeakPolarHBondContact CA-OE2 3.12Å; T501-E505 WeakPolarHBondContact CB-OE2 3.48Å; T501-E505 VanDerWaalsContact CG2-OE2 3.28Å; T501-E505 WeakPolarHBondContact CG2-OE2 3.35Å; T502-E505 PolarHBondContact N-OE2 2.89Å; T502-E505 PolarHBondContact O-N 3.5Å; T502-E505 VanDerWaalsContact OG1-CD 3.25Å; T502-E505 VanDerWaalsContact OG1-CG 3.25Å; T502-E505 WeakPolarHBondContact OG1-CG 3.48Å; T502-E505 PolarHBondContact OG1-N 3.47Å; T502-E505 PolarHBondContact OG1-OE1 3.24Å; E505-L507 VanDerWaalsContact C-N 3.29Å; E505-L507 PolarHBondContact O-N 2.74Å; E505-Q508 WeakPolarHBondContact O-CB 3.23Å; E505-Q508 PolarHBondContact O-N 3.24Å
506	R	82.4	Confident	70.6	Confident	181 Å²	181	105.7 Å²	105.7	68%	0.683	47%	0.473	S	S	*	.	H	α-helix	trans	-70.7	-25.1	174.5	-65.7	-178.1	-178.3	155.8	1.4	113.5	T502 T503 L504 Q508	T502-R506 PolarHBondContact O-N 2.82Å; T503-R506 PolarHBondContact O-N 2.7Å; L504-R506 PolarHBondContact O-N 3.35Å; R506-Q508 VanDerWaalsContact C-N 3.31Å
507	L	89.5	Confident	72.7	Confident	38 Å²	38	97.6 Å²	97.6	20%	0.199	45%	0.45	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.1	0.6	178.1	-70.1	171.1	0	0	0	112.3	T503 L504 E505 Y509 A569 L579 G581 I582	T503-L507 HydrophobicContact CG2-CD1 4.47Å; T503-L507 PolarHBondContact O-N 2.89Å; L504-L507 CarbonylContact O-C 3.56Å; L504-L507 PolarHBondContact O-N 3.15Å; E505-L507 VanDerWaalsContact C-N 3.29Å; E505-L507 PolarHBondContact O-N 2.74Å; L507-Y509 PolarHBondContact O-N 3.28Å; L507-Y509 VanDerWaalsContact O-N 3.12Å; L507-A569 HydrophobicContact CD1-CB 3.56Å; L507-L579 HydrophobicContact CD1-CD2 3.73Å; L507-L579 HydrophobicContact CD1-CG 3.99Å; L507-G581 CarbonylContact O-C 3.53Å; L507-G581 WeakPolarHBondContact O-CA 3.39Å; L507-I582 HydrophobicContact CB-CG2 4.26Å; L507-I582 PolarHBondContact O-N 2.82Å
508	Q	91	Very high	74.7	Confident	62 Å²	62	88.9 Å²	88.9	29%	0.29	42%	0.423	S	S	.	.	B	Isolated β-bridge	trans	-61.7	117.5	180	-170.8	51	56.6	0	0	110	L504 E505 R506 I582 T584 M585	L504-Q508 PolarHBondContact O-N 2.77Å; E505-Q508 WeakPolarHBondContact O-CB 3.23Å; E505-Q508 PolarHBondContact O-N 3.24Å; R506-Q508 VanDerWaalsContact C-N 3.31Å; Q508-I582 WeakPolarHBondContact CA-O 3.39Å; Q508-I582 VanDerWaalsContact CD-O 3.28Å; Q508-I582 PolarHBondContact NE2-O 3.17Å; Q508-I582 PolarHBondContact OE1-O 3.46Å; Q508-T584 PolarHBondContact OE1-OG1 2.99Å; Q508-M585 HydrophobicContact CG-CG 4.46Å
509	Y	92.1	Very high	76.6	Confident	23 Å²	23	86 Å²	86	9%	0.09	41%	0.405	C	S	.	.			trans	-110.8	139.8	-175.8	-170.5	-101.4	0	0	0	111.4	L507 R511 Y513 L514 G534 L536 I582 C583 I592	L507-Y509 PolarHBondContact O-N 3.28Å; L507-Y509 VanDerWaalsContact O-N 3.12Å; Y509-R511 PolarHBondContact O-N 2.86Å; Y509-Y513 VanDerWaalsContact OH-CB 3.26Å; Y509-Y513 WeakPolarHBondContact OH-CB 3.46Å; Y509-L514 HydrophobicContact CD1-CD2 4.31Å; Y509-L514 HydrophobicContact CD1-CG 4.19Å; Y509-L514 HydrophobicContact CE1-CD2 3.81Å; Y509-L514 HydrophobicContact CE1-CG 3.87Å; Y509-G534 PolarHBondContact OH-N 3.36Å; Y509-G534 PolarHBondContact OH-O 3.39Å; Y509-L536 HydrophobicContact CD1-CD2 4.41Å; Y509-L536 HydrophobicContact CD2-CD2 3.39Å; Y509-L536 HydrophobicContact CD2-CG 4.22Å; Y509-L536 HydrophobicContact CE1-CD1 4.48Å; Y509-L536 HydrophobicContact CE1-CD2 4.31Å; Y509-L536 HydrophobicContact CE1-CG 4.49Å; Y509-L536 HydrophobicContact CE2-CD1 4.38Å; Y509-L536 HydrophobicContact CE2-CD2 3.27Å; Y509-L536 HydrophobicContact CE2-CG 3.57Å; Y509-L536 HydrophobicContact CG-CD2 3.98Å; Y509-I582 PolarHBondContact N-O 3.29Å; Y509-C583 PolarHBondContact O-SG 3.37Å; Y509-I592 HydrophobicContact CD1-CD1 3.37Å; Y509-I592 HydrophobicContact CE1-CD1 4.14Å; Y509-I592 HydrophobicContact CG-CD1 3.66Å
510	P	89.2	Confident	78	Confident	50 Å²	50	78.4 Å²	78.4	33%	0.325	38%	0.382	S	S	.	.			trans	-66.3	120.4	174	-18.3	31.6	0	0	0	111.2	E512 Y513	P510-E512 HydrophobicContact CB-CG 4.13Å; P510-E512 PolarHBondContact O-N 3.34Å; P510-Y513 HydrophobicContact CB-CD1 4.45Å; P510-Y513 HydrophobicContact CB-CD2 4.48Å; P510-Y513 HydrophobicContact CB-CG 4.29Å; P510-Y513 HydrophobicContact CG-CD2 4.38Å; P510-Y513 PolarHBondContact O-N 3.45Å
511	R	89.4	Confident	79	Confident	72 Å²	72	73.3 Å²	73.3	27%	0.272	36%	0.36	S	S	.	.	G	3₁₀ helix	trans	-61	-35	-176.9	178.1	-172.9	-68.7	-99.7	-4.6	111.9	Y509 Y513 L514 S586 P588 L590	Y509-R511 PolarHBondContact O-N 2.86Å; R511-Y513 PolarHBondContact O-N 3.36Å; R511-L514 WeakPolarHBondContact O-CB 3.43Å; R511-L514 PolarHBondContact O-N 3.28Å; R511-L514 VanDerWaalsContact O-N 3.07Å; R511-S586 PolarHBondContact NE-OG 3.01Å; R511-S586 PolarHBondContact NH2-O 3.25Å; R511-S586 PolarHBondContact NH2-OG 2.83Å; R511-P588 PolarHBondContact NH2-O 2.91Å; R511-L590 HydrophobicContact CG-CD1 4.3Å
512	E	88.8	Confident	79.4	Confident	149 Å²	149	72.3 Å²	72.3	70%	0.696	36%	0.355	S	S	*	.	G	3₁₀ helix	trans	-62.1	-18.9	-179.5	58.6	-92.7	-142	0	0	113.9	P510 L514	P510-E512 HydrophobicContact CB-CG 4.13Å; P510-E512 PolarHBondContact O-N 3.34Å; E512-L514 VanDerWaalsContact C-N 3.32Å
513	Y	91.1	Very high	78.6	Confident	121 Å²	121	70.2 Å²	70.2	48%	0.475	35%	0.345	S	S	.	.	G	3₁₀ helix	trans	-87	-5.8	177.4	-70.8	9.9	0	0	0	112.6	Y509 P510 R511	Y509-Y513 VanDerWaalsContact OH-CB 3.26Å; Y509-Y513 WeakPolarHBondContact OH-CB 3.46Å; P510-Y513 HydrophobicContact CB-CD1 4.45Å; P510-Y513 HydrophobicContact CB-CD2 4.48Å; P510-Y513 HydrophobicContact CB-CG 4.29Å; P510-Y513 HydrophobicContact CG-CD2 4.38Å; P510-Y513 PolarHBondContact O-N 3.45Å; R511-Y513 PolarHBondContact O-N 3.36Å
514	L	92.3	Very high	77.3	Confident	23 Å²	23	72.7 Å²	72.7	12%	0.12	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	127.1	171.6	-64.9	175.4	0	0	0	110.8	Y509 R511 E512 M531 K532 V545 V547 L590 I592	Y509-L514 HydrophobicContact CD1-CD2 4.31Å; Y509-L514 HydrophobicContact CD1-CG 4.19Å; Y509-L514 HydrophobicContact CE1-CD2 3.81Å; Y509-L514 HydrophobicContact CE1-CG 3.87Å; R511-L514 WeakPolarHBondContact O-CB 3.43Å; R511-L514 PolarHBondContact O-N 3.28Å; R511-L514 VanDerWaalsContact O-N 3.07Å; E512-L514 VanDerWaalsContact C-N 3.32Å; L514-M531 HydrophobicContact CB-SD 3.94Å; L514-M531 HydrophobicContact CD1-SD 4.27Å; L514-K532 CarbonylContact C-O 3.53Å; L514-K532 WeakPolarHBondContact CA-O 3.29Å; L514-V545 HydrophobicContact CD2-CG2 4.35Å; L514-V547 HydrophobicContact CD1-CG1 4.34Å; L514-V547 HydrophobicContact CD1-CG2 4.23Å; L514-V547 HydrophobicContact CD2-CG2 4.14Å; L514-L590 HydrophobicContact CD1-CD1 3.84Å; L514-I592 HydrophobicContact CD1-CD1 4.08Å; L514-I592 HydrophobicContact CD1-CG1 4.29Å; L514-I592 HydrophobicContact CD2-CD1 4.04Å; L514-I592 HydrophobicContact CD2-CG1 4.42Å; L514-I592 HydrophobicContact CG-CD1 4.43Å
515	Q	87.7	Confident	76.4	Confident	122 Å²	122	75.6 Å²	75.6	57%	0.57	37%	0.366	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111.4	119.2	174.2	-62.7	177.9	-2.4	0	0	109.6	V517 M531 K532	Q515-V517 PolarHBondContact O-N 2.93Å; Q515-M531 CarbonylContact O-C 3.57Å; Q515-M531 WeakPolarHBondContact O-CA 3.35Å; Q515-M531 VanDerWaalsContact O-CB 3.32Å; Q515-M531 WeakPolarHBondContact O-CB 3.5Å; Q515-K532 HydrophobicContact CB-CB 4.28Å; Q515-K532 PolarHBondContact N-O 2.84Å; Q515-K532 PolarHBondContact O-N 3.34Å
516	Y	86	Confident	75.6	Confident	140 Å²	140	70.6 Å²	70.6	55%	0.549	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.6	134	176.3	174.1	-92.6	0	0	0	111.6	T519 Y529 M531	Y516-T519 PolarHBondContact OH-N 3.4Å; Y516-T519 PolarHBondContact OH-OG1 3.25Å; Y516-Y529 HydrophobicContact CD2-CD1 4.02Å; Y516-Y529 AromaticContact CE2-CD1 3.71Å; Y516-Y529 HydrophobicContact CE2-CD1 3.71Å; Y516-Y529 HydrophobicContact CE2-CE1 4.19Å; Y516-M531 HydrophobicContact CD2-CE 4.26Å
517	V	74.9	Confident	75	Confident	69 Å²	69	63.6 Å²	63.6	42%	0.418	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	-58.5	172.3	179.3	0	0	0	0	110.2	Q515 L530 K532	Q515-V517 PolarHBondContact O-N 2.93Å; V517-L530 WeakPolarHBondContact CA-O 3.25Å; V517-L530 HydrophobicContact CB-CB 4.37Å; V517-L530 HydrophobicContact CB-CD2 4.4Å; V517-L530 HydrophobicContact CB-CG 4.25Å; V517-L530 VanDerWaalsContact CB-O 3.31Å; V517-L530 WeakPolarHBondContact CB-O 3.38Å; V517-L530 HydrophobicContact CG1-CD2 4.02Å; V517-L530 HydrophobicContact CG1-CG 4.41Å; V517-L530 PolarHBondContact N-O 3.36Å; V517-K532 HydrophobicContact CG2-CD 4.41Å; V517-K532 HydrophobicContact CG2-CG 3.85Å
518	S	70.2	Confident	74.3	Confident	41 Å²	41	62.2 Å²	62.2	29%	0.287	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.9	164.5	179.8	65.3	0	0	0	0	111	Y529 L530	S518-Y529 CarbonylContact O-C 3.53Å; S518-Y529 WeakPolarHBondContact O-CA 3.46Å; S518-L530 PolarHBondContact N-O 3.48Å; S518-L530 VanDerWaalsContact N-O 3.15Å; S518-L530 PolarHBondContact O-N 3.36Å; S518-L530 WeakPolarHBondContact OG-CB 3.49Å
519	T	71	Confident	73.6	Confident	58 Å²	58	61.5 Å²	61.5	36%	0.356	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	116.8	172.1	-57.8	0	0	0	0	108.8	Y516 S522 Y529	Y516-T519 PolarHBondContact OH-N 3.4Å; Y516-T519 PolarHBondContact OH-OG1 3.25Å; T519-S522 WeakPolarHBondContact CG2-OG 3.4Å; T519-Y529 HydrophobicContact CG2-CD1 4.29Å; T519-Y529 HydrophobicContact CG2-CE1 4.35Å
520	L	62	Low	73	Confident	77 Å²	77	61.5 Å²	61.5	40%	0.403	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	-33.9	177.8	-64.2	177.8	0	0	0	111.5	V528 L530 V546	L520-V528 HydrophobicContact CB-CG1 4.21Å; L520-V528 HydrophobicContact CD1-CG1 4.37Å; L520-V528 PolarHBondContact N-O 3.35Å; L520-L530 HydrophobicContact CD1-CB 4.1Å; L520-L530 HydrophobicContact CD1-CD1 4.33Å; L520-L530 HydrophobicContact CD2-CB 3.96Å; L520-L530 HydrophobicContact CG-CB 3.86Å; L520-V546 HydrophobicContact CD1-CG1 4.39Å; L520-V546 HydrophobicContact CD1-CG2 4.05Å
521	G	60.2	Low	73	Confident	18 Å²	18	60 Å²	60	19%	0.186	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-171.4	117.5	176.9	0	0	0	0	0	113.1	V528	G521-V528 PolarHBondContact N-O 3.17Å; G521-V528 VanDerWaalsContact N-O 3.07Å; G521-V528 PolarHBondContact O-N 3.01Å
522	S	53.3	Low	73.1	Confident	44 Å²	44	61.1 Å²	61.1	31%	0.308	31%	0.305	S	S	.	.			trans	-83	139.8	166.2	-60.4	0	0	0	0	113.7	K324 T519 D527	K324-S522 VanDerWaalsContact NZ-N 3.14Å; K324-S522 PolarHBondContact NZ-O 3.43Å; T519-S522 WeakPolarHBondContact CG2-OG 3.4Å; S522-D527 WeakPolarHBondContact CA-OD1 3.49Å; S522-D527 WeakPolarHBondContact CB-OD1 3.48Å; S522-D527 PolarHBondContact OG-OD1 3.42Å
523	G	49.9	Very low	73.1	Confident	14 Å²	14	54 Å²	54	14%	0.144	27%	0.272	C	S	.	.			trans	-156.5	159.9	-170.7	0	0	0	0	0	113.9	Y525 G526 L551 D678	G523-Y525 PolarHBondContact O-N 3.12Å; G523-G526 WeakPolarHBondContact CA-O 3.38Å; G523-G526 PolarHBondContact N-O 2.61Å; G523-G526 CarbonylContact O-C 3.53Å; G523-G526 PolarHBondContact O-N 3.04Å; G523-L551 WeakPolarHBondContact O-CD1 3.28Å; G523-D678 VanDerWaalsContact C-CG 3.48Å; G523-D678 VanDerWaalsContact CA-CB 3.47Å; G523-D678 WeakPolarHBondContact CA-OD2 3.42Å
524	I	46.7	Very low	72.9	Confident	96 Å²	96	49.1 Å²	49.1	49%	0.492	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-22.6	-177.8	60.4	136.4	0	0	0	113.1	F353 D678	F353-I524 HydrophobicContact CE1-CG2 4.24Å; F353-I524 HydrophobicContact CE2-CD1 4.17Å; F353-I524 HydrophobicContact CZ-CD1 3.57Å; F353-I524 HydrophobicContact CZ-CG1 3.78Å; F353-I524 HydrophobicContact CZ-CG2 4.2Å; I524-D678 WeakPolarHBondContact CG1-OD1 3.38Å; I524-D678 PolarHBondContact N-OD1 3.36Å; I524-D678 PolarHBondContact N-OD2 2.88Å
525	Y	56.8	Low	72.5	Confident	82 Å²	82	55.4 Å²	55.4	32%	0.322	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.3	-9.6	177.6	-62.8	-72.3	0	0	0	112.8	G523 L551 N677 D678 L681	G523-Y525 PolarHBondContact O-N 3.12Å; Y525-L551 PolarHBondContact O-N 3.15Å; Y525-N677 HydrophobicContact CD2-CB 3.94Å; Y525-N677 HydrophobicContact CE2-CB 4.17Å; Y525-D678 PolarHBondContact N-OD2 2.9Å; Y525-L681 HydrophobicContact CE2-CD2 4.38Å
526	G	64	Low	72.4	Confident	3 Å²	3	50.4 Å²	50.4	3%	0.031	26%	0.264	C	S	.	.			trans	154.8	140.6	-162.5	0	0	0	0	0	112.9	G523 S549	G523-G526 WeakPolarHBondContact CA-O 3.38Å; G523-G526 PolarHBondContact N-O 2.61Å; G523-G526 CarbonylContact O-C 3.53Å; G523-G526 PolarHBondContact O-N 3.04Å; G526-S549 WeakPolarHBondContact CA-O 3.38Å
527	D	68.2	Low	72.2	Confident	33 Å²	33	46.3 Å²	46.3	18%	0.176	25%	0.249	C	C	.	.			trans	-82.8	139.9	159	-62.7	-54.5	0	0	0	110.4	S522 Y529 K548 S549	S522-D527 WeakPolarHBondContact CA-OD1 3.49Å; S522-D527 WeakPolarHBondContact CB-OD1 3.48Å; S522-D527 PolarHBondContact OG-OD1 3.42Å; D527-Y529 HydrophobicContact CB-CD2 4.34Å; D527-Y529 HydrophobicContact CB-CE1 3.88Å; D527-Y529 HydrophobicContact CB-CE2 3.5Å; D527-Y529 WeakPolarHBondContact CB-OH 3.44Å; D527-Y529 PolarHBondContact OD2-OH 2.85Å; D527-Y529 VanDerWaalsContact OD2-OH 3.06Å; D527-K548 WeakPolarHBondContact O-CA 3.34Å; D527-S549 PolarHBondContact N-OG 2.77Å; D527-S549 PolarHBondContact O-N 2.86Å; D527-S549 PolarHBondContact O-OG 3.32Å
528	V	74.5	Confident	72.3	Confident	9 Å²	9	52.5 Å²	52.5	6%	0.055	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	123.5	173	-174.3	0	0	0	0	108.8	L520 G521 V546 V547 K548 L675	L520-V528 HydrophobicContact CB-CG1 4.21Å; L520-V528 HydrophobicContact CD1-CG1 4.37Å; L520-V528 PolarHBondContact N-O 3.35Å; G521-V528 PolarHBondContact N-O 3.17Å; G521-V528 VanDerWaalsContact N-O 3.07Å; G521-V528 PolarHBondContact O-N 3.01Å; V528-V546 HydrophobicContact CG1-CG1 3.42Å; V528-V546 VanDerWaalsContact CG1-CG1 3.42Å; V528-V547 CarbonylContact C-O 3.53Å; V528-V547 WeakPolarHBondContact CA-O 3.23Å; V528-K548 HydrophobicContact CG2-CB 4.38Å; V528-K548 HydrophobicContact CG2-CD 4.34Å; V528-K548 HydrophobicContact CG2-CG 4.18Å; V528-L675 WeakPolarHBondContact CG2-O 3.48Å
529	Y	77.1	Confident	72.7	Confident	48 Å²	48	58.2 Å²	58.2	19%	0.188	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	143.2	-175.3	-54.3	-74.8	0	0	0	110.5	Y516 S518 T519 D527 M531 V546 V547	Y516-Y529 HydrophobicContact CD2-CD1 4.02Å; Y516-Y529 AromaticContact CE2-CD1 3.71Å; Y516-Y529 HydrophobicContact CE2-CD1 3.71Å; Y516-Y529 HydrophobicContact CE2-CE1 4.19Å; S518-Y529 CarbonylContact O-C 3.53Å; S518-Y529 WeakPolarHBondContact O-CA 3.46Å; T519-Y529 HydrophobicContact CG2-CD1 4.29Å; T519-Y529 HydrophobicContact CG2-CE1 4.35Å; D527-Y529 HydrophobicContact CB-CD2 4.34Å; D527-Y529 HydrophobicContact CB-CE1 3.88Å; D527-Y529 HydrophobicContact CB-CE2 3.5Å; D527-Y529 WeakPolarHBondContact CB-OH 3.44Å; D527-Y529 PolarHBondContact OD2-OH 2.85Å; D527-Y529 VanDerWaalsContact OD2-OH 3.06Å; Y529-M531 VanDerWaalsContact CB-CE 3.48Å; Y529-M531 HydrophobicContact CD1-CE 4.23Å; Y529-M531 HydrophobicContact CD2-CE 3.66Å; Y529-M531 HydrophobicContact CE2-CE 4.42Å; Y529-M531 HydrophobicContact CG-CE 3.52Å; Y529-V546 CarbonylContact O-C 3.55Å; Y529-V546 WeakPolarHBondContact O-CA 3.32Å; Y529-V547 WeakPolarHBondContact CD2-O 3.48Å; Y529-V547 PolarHBondContact N-O 2.83Å; Y529-V547 PolarHBondContact O-N 2.99Å
530	L	79.8	Confident	73.1	Confident	22 Å²	22	59.1 Å²	59.1	12%	0.115	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	123.6	156.6	-169.9	65.7	0	0	0	106.9	V517 S518 L520 T544 Y595	V517-L530 WeakPolarHBondContact CA-O 3.25Å; V517-L530 HydrophobicContact CB-CB 4.37Å; V517-L530 HydrophobicContact CB-CD2 4.4Å; V517-L530 HydrophobicContact CB-CG 4.25Å; V517-L530 VanDerWaalsContact CB-O 3.31Å; V517-L530 WeakPolarHBondContact CB-O 3.38Å; V517-L530 HydrophobicContact CG1-CD2 4.02Å; V517-L530 HydrophobicContact CG1-CG 4.41Å; V517-L530 PolarHBondContact N-O 3.36Å; S518-L530 PolarHBondContact N-O 3.48Å; S518-L530 VanDerWaalsContact N-O 3.15Å; S518-L530 PolarHBondContact O-N 3.36Å; S518-L530 WeakPolarHBondContact OG-CB 3.49Å; L520-L530 HydrophobicContact CD1-CB 4.1Å; L520-L530 HydrophobicContact CD1-CD1 4.33Å; L520-L530 HydrophobicContact CD2-CB 3.96Å; L520-L530 HydrophobicContact CG-CB 3.86Å; L530-T544 HydrophobicContact CD1-CG2 3.47Å; L530-T544 VanDerWaalsContact CD1-CG2 3.47Å; L530-T544 HydrophobicContact CG-CG2 4.11Å; L530-Y595 HydrophobicContact CD1-CD1 4.47Å; L530-Y595 HydrophobicContact CD1-CD2 3.42Å; L530-Y595 VanDerWaalsContact CD1-CD2 3.42Å; L530-Y595 HydrophobicContact CD1-CE1 4.5Å; L530-Y595 HydrophobicContact CD1-CE2 3.47Å; L530-Y595 VanDerWaalsContact CD1-CE2 3.47Å; L530-Y595 HydrophobicContact CD1-CG 3.95Å
531	M	88.6	Confident	74.1	Confident	20 Å²	20	59.6 Å²	59.6	10%	0.099	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	163.7	178.5	-59.2	-160.7	173.6	0	0	110.4	L514 Q515 Y516 Y529 V545 V547	L514-M531 HydrophobicContact CB-SD 3.94Å; L514-M531 HydrophobicContact CD1-SD 4.27Å; Q515-M531 CarbonylContact O-C 3.57Å; Q515-M531 WeakPolarHBondContact O-CA 3.35Å; Q515-M531 VanDerWaalsContact O-CB 3.32Å; Q515-M531 WeakPolarHBondContact O-CB 3.5Å; Y516-M531 HydrophobicContact CD2-CE 4.26Å; Y529-M531 VanDerWaalsContact CB-CE 3.48Å; Y529-M531 HydrophobicContact CD1-CE 4.23Å; Y529-M531 HydrophobicContact CD2-CE 3.66Å; Y529-M531 HydrophobicContact CE2-CE 4.42Å; Y529-M531 HydrophobicContact CG-CE 3.52Å; M531-V545 HydrophobicContact CB-CG2 4.2Å; M531-V545 PolarHBondContact N-O 2.94Å; M531-V545 WeakPolarHBondContact O-CG2 3.4Å; M531-V545 PolarHBondContact O-N 3.37Å; M531-V547 HydrophobicContact CB-CG2 3.85Å; M531-V547 HydrophobicContact CE-CB 4.41Å; M531-V547 HydrophobicContact CE-CG1 4.45Å; M531-V547 HydrophobicContact CG-CB 4.08Å; M531-V547 HydrophobicContact CG-CG2 3.8Å; M531-V547 HydrophobicContact SD-CB 3.92Å; M531-V547 HydrophobicContact SD-CG1 4.17Å; M531-V547 HydrophobicContact SD-CG2 3.75Å
532	K	90.9	Very high	75.4	Confident	95 Å²	95	62.8 Å²	62.8	41%	0.413	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	140	163.4	-68.5	-179.4	-179.8	-176.7	0	108.7	L514 Q515 V517 V542 S543	L514-K532 CarbonylContact C-O 3.53Å; L514-K532 WeakPolarHBondContact CA-O 3.29Å; Q515-K532 HydrophobicContact CB-CB 4.28Å; Q515-K532 PolarHBondContact N-O 2.84Å; Q515-K532 PolarHBondContact O-N 3.34Å; V517-K532 HydrophobicContact CG2-CD 4.41Å; V517-K532 HydrophobicContact CG2-CG 3.85Å; K532-V542 HydrophobicContact CB-CG1 3.76Å; K532-V542 HydrophobicContact CD-CG1 4.14Å; K532-V542 HydrophobicContact CG-CG1 4.24Å; K532-S543 CarbonylContact C-O 3.57Å; K532-S543 WeakPolarHBondContact CA-O 3.42Å
533	G	90.8	Very high	77.1	Confident	0 Å²	0	60.7 Å²	60.7	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	136.7	173.7	0	0	0	0	0	111.3	S543	G533-S543 PolarHBondContact N-O 3.09Å; G533-S543 PolarHBondContact O-N 3.03Å
534	G	86.6	Confident	79	Confident	18 Å²	18	62.5 Å²	62.5	19%	0.186	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	142.6	177.8	0	0	0	0	0	112.6	Y509 L536 A541	Y509-G534 PolarHBondContact OH-N 3.36Å; Y509-G534 PolarHBondContact OH-O 3.39Å; G534-L536 PolarHBondContact O-N 3.49Å; G534-L536 VanDerWaalsContact O-N 3.12Å; G534-A541 VanDerWaalsContact CA-O 3.27Å; G534-A541 WeakPolarHBondContact CA-O 3.39Å
535	Q	83.9	Confident	81.2	Confident	155 Å²	155	57.9 Å²	57.9	72%	0.724	30%	0.301	S	S	*	.	E	Extended strand (participates in β ladder)	trans	56.7	28.5	171.3	-54.6	179.3	-38.6	0	0	115.4	A541	Q535-A541 PolarHBondContact N-O 3.22Å; Q535-A541 VanDerWaalsContact N-O 3.16Å
536	L	85.5	Confident	82.6	Confident	16 Å²	16	54.7 Å²	54.7	8%	0.084	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	-20.3	177.4	-78.1	167	0	0	0	113.3	Y509 G534 V545 L580 I592	Y509-L536 HydrophobicContact CD1-CD2 4.41Å; Y509-L536 HydrophobicContact CD2-CD2 3.39Å; Y509-L536 HydrophobicContact CD2-CG 4.22Å; Y509-L536 HydrophobicContact CE1-CD1 4.48Å; Y509-L536 HydrophobicContact CE1-CD2 4.31Å; Y509-L536 HydrophobicContact CE1-CG 4.49Å; Y509-L536 HydrophobicContact CE2-CD1 4.38Å; Y509-L536 HydrophobicContact CE2-CD2 3.27Å; Y509-L536 HydrophobicContact CE2-CG 3.57Å; Y509-L536 HydrophobicContact CG-CD2 3.98Å; G534-L536 PolarHBondContact O-N 3.49Å; G534-L536 VanDerWaalsContact O-N 3.12Å; L536-V545 HydrophobicContact CD1-CG1 3.73Å; L536-V545 HydrophobicContact CD1-CG2 4.16Å; L536-L580 HydrophobicContact CD2-CB 4.17Å; L536-I592 HydrophobicContact CD1-CG2 3.86Å; L536-I592 HydrophobicContact CD2-CD1 4.38Å; L536-I592 HydrophobicContact CD2-CG2 4.33Å
537	K	80.8	Confident	83.8	Confident	54 Å²	54	54.5 Å²	54.5	24%	0.235	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	142.2	171.9	-56.3	-175.8	-159.7	152.7	0	108.1	D539 E540	K537-D539 PolarHBondContact O-N 3.08Å; K537-D539 VanDerWaalsContact O-N 3.14Å; K537-E540 HydrophobicContact CB-CB 4.28Å; K537-E540 WeakPolarHBondContact CD-OE2 3.48Å; K537-E540 VanDerWaalsContact NZ-CD 3.32Å; K537-E540 IonicContact NZ-OE1 3.12Å; K537-E540 PolarHBondContact NZ-OE1 3.19Å; K537-E540 IonicContact NZ-OE2 3.96Å; K537-E540 PolarHBondContact NZ-OE2 2.88Å; K537-E540 PolarHBondContact O-N 3.39Å
538	E	76.3	Confident	84.5	Confident	200 Å²	200	53.6 Å²	53.6	94%	0.935	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.9	-34.1	-174.4	-64.8	-178.1	168.4	0	0	112.7
539	D	78.8	Confident	84.7	Confident	160 Å²	160	53.2 Å²	53.2	86%	0.856	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.9	-1.8	-174.8	-57	-42.9	0	0	0	114.9	K537	K537-D539 PolarHBondContact O-N 3.08Å; K537-D539 VanDerWaalsContact O-N 3.14Å
540	E	81.1	Confident	84.5	Confident	77 Å²	77	52 Å²	52	36%	0.36	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	117.7	-174.5	-69.2	176.8	-163.7	0	0	111.2	K537 V542 S543	K537-E540 HydrophobicContact CB-CB 4.28Å; K537-E540 WeakPolarHBondContact CD-OE2 3.48Å; K537-E540 VanDerWaalsContact NZ-CD 3.32Å; K537-E540 IonicContact NZ-OE1 3.12Å; K537-E540 PolarHBondContact NZ-OE1 3.19Å; K537-E540 IonicContact NZ-OE2 3.96Å; K537-E540 PolarHBondContact NZ-OE2 2.88Å; K537-E540 PolarHBondContact O-N 3.39Å; E540-V542 PolarHBondContact O-N 2.95Å; E540-S543 WeakPolarHBondContact CB-OG 3.48Å; E540-S543 WeakPolarHBondContact OE2-CA 3.37Å; E540-S543 WeakPolarHBondContact OE2-CB 3.34Å; E540-S543 PolarHBondContact OE2-OG 3.31Å
541	A	81.9	Confident	83.6	Confident	87 Å²	87	54.7 Å²	54.7	72%	0.719	29%	0.291	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-59.8	-37.7	174.3	0	0	0	0	0	112	G534 Q535	G534-A541 VanDerWaalsContact CA-O 3.27Å; G534-A541 WeakPolarHBondContact CA-O 3.39Å; Q535-A541 PolarHBondContact N-O 3.22Å; Q535-A541 VanDerWaalsContact N-O 3.16Å
542	V	87.7	Confident	82.3	Confident	85 Å²	85	55.8 Å²	55.8	52%	0.515	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	121.7	175.3	-179.2	0	0	0	0	109.1	K532 E540	K532-V542 HydrophobicContact CB-CG1 3.76Å; K532-V542 HydrophobicContact CD-CG1 4.14Å; K532-V542 HydrophobicContact CG-CG1 4.24Å; E540-V542 PolarHBondContact O-N 2.95Å
543	S	90.1	Very high	80.8	Confident	0 Å²	0	58.6 Å²	58.6	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	139.2	178.4	-61.6	0	0	0	0	111.2	K532 G533 E540	K532-S543 CarbonylContact C-O 3.57Å; K532-S543 WeakPolarHBondContact CA-O 3.42Å; G533-S543 PolarHBondContact N-O 3.09Å; G533-S543 PolarHBondContact O-N 3.03Å; E540-S543 WeakPolarHBondContact CB-OG 3.48Å; E540-S543 WeakPolarHBondContact OE2-CA 3.37Å; E540-S543 WeakPolarHBondContact OE2-CB 3.34Å; E540-S543 PolarHBondContact OE2-OG 3.31Å
544	T	89.3	Confident	79.4	Confident	52 Å²	52	62.7 Å²	62.7	32%	0.319	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	131.6	163.5	-56.6	0	0	0	0	109.2	L530 Y595	L530-T544 HydrophobicContact CD1-CG2 3.47Å; L530-T544 VanDerWaalsContact CD1-CG2 3.47Å; L530-T544 HydrophobicContact CG-CG2 4.11Å; T544-Y595 HydrophobicContact CG2-CD1 3.52Å; T544-Y595 HydrophobicContact CG2-CD2 4.5Å; T544-Y595 HydrophobicContact CG2-CE1 3.95Å; T544-Y595 HydrophobicContact CG2-CG 3.82Å; T544-Y595 WeakPolarHBondContact O-CB 3.48Å
545	V	92.1	Very high	78.3	Confident	0 Å²	0	67.6 Å²	67.6	0%	0	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	155	-173.7	-65.6	0	0	0	0	112	L514 M531 L536 V547 L580 I592 L593	L514-V545 HydrophobicContact CD2-CG2 4.35Å; M531-V545 HydrophobicContact CB-CG2 4.2Å; M531-V545 PolarHBondContact N-O 2.94Å; M531-V545 WeakPolarHBondContact O-CG2 3.4Å; M531-V545 PolarHBondContact O-N 3.37Å; L536-V545 HydrophobicContact CD1-CG1 3.73Å; L536-V545 HydrophobicContact CD1-CG2 4.16Å; V545-V547 HydrophobicContact CG2-CG2 3.99Å; V545-L580 HydrophobicContact CG1-CD1 3.58Å; V545-I592 HydrophobicContact CB-CG2 3.83Å; V545-I592 HydrophobicContact CG1-CG2 4.11Å; V545-I592 HydrophobicContact CG2-CG2 3.82Å; V545-L593 WeakPolarHBondContact CB-O 3.36Å
546	V	86.7	Confident	77.2	Confident	14 Å²	14	66.7 Å²	66.7	9%	0.085	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	123.2	169.9	178.1	0	0	0	0	108	L520 V528 Y529 L593 Y595	L520-V546 HydrophobicContact CD1-CG1 4.39Å; L520-V546 HydrophobicContact CD1-CG2 4.05Å; V528-V546 HydrophobicContact CG1-CG1 3.42Å; V528-V546 VanDerWaalsContact CG1-CG1 3.42Å; Y529-V546 CarbonylContact O-C 3.55Å; Y529-V546 WeakPolarHBondContact O-CA 3.32Å; V546-L593 HydrophobicContact CB-CB 4.43Å; V546-L593 PolarHBondContact N-O 3.39Å; V546-L593 PolarHBondContact O-N 3.28Å; V546-Y595 HydrophobicContact CG2-CD2 3.79Å; V546-Y595 HydrophobicContact CG2-CG 4.42Å
547	V	88.6	Confident	76	Confident	0 Å²	0	67.5 Å²	67.5	0%	0	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	116.9	178.6	-179.6	0	0	0	0	108.9	L514 V528 Y529 M531 V545 L590 V591 I592	L514-V547 HydrophobicContact CD1-CG1 4.34Å; L514-V547 HydrophobicContact CD1-CG2 4.23Å; L514-V547 HydrophobicContact CD2-CG2 4.14Å; V528-V547 CarbonylContact C-O 3.53Å; V528-V547 WeakPolarHBondContact CA-O 3.23Å; Y529-V547 WeakPolarHBondContact CD2-O 3.48Å; Y529-V547 PolarHBondContact N-O 2.83Å; Y529-V547 PolarHBondContact O-N 2.99Å; M531-V547 HydrophobicContact CB-CG2 3.85Å; M531-V547 HydrophobicContact CE-CB 4.41Å; M531-V547 HydrophobicContact CE-CG1 4.45Å; M531-V547 HydrophobicContact CG-CB 4.08Å; M531-V547 HydrophobicContact CG-CG2 3.8Å; M531-V547 HydrophobicContact SD-CB 3.92Å; M531-V547 HydrophobicContact SD-CG1 4.17Å; M531-V547 HydrophobicContact SD-CG2 3.75Å; V545-V547 HydrophobicContact CG2-CG2 3.99Å; V547-L590 HydrophobicContact CG1-CB 3.85Å; V547-L590 HydrophobicContact CG1-CD1 4.07Å; V547-L590 HydrophobicContact CG1-CD2 4.15Å; V547-L590 HydrophobicContact CG1-CG 4.25Å; V547-V591 CarbonylContact C-O 3.52Å; V547-V591 WeakPolarHBondContact CA-O 3.31Å; V547-I592 HydrophobicContact CG2-CG1 4.28Å; V547-I592 HydrophobicContact CG2-CG2 4.3Å
548	K	83.1	Confident	75.3	Confident	13 Å²	13	66.6 Å²	66.6	6%	0.057	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	128.5	171.9	-179.4	169.8	179.5	-170.9	0	109.9	D527 V528 L590 V591 N674 L675	D527-K548 WeakPolarHBondContact O-CA 3.34Å; V528-K548 HydrophobicContact CG2-CB 4.38Å; V528-K548 HydrophobicContact CG2-CD 4.34Å; V528-K548 HydrophobicContact CG2-CG 4.18Å; K548-L590 CarbonylContact O-C 3.5Å; K548-L590 WeakPolarHBondContact O-CA 3.5Å; K548-V591 PolarHBondContact N-O 2.8Å; K548-V591 PolarHBondContact O-N 3.43Å; K548-N674 PolarHBondContact NZ-O 2.84Å; K548-L675 HydrophobicContact CB-CD2 3.95Å; K548-L675 HydrophobicContact CD-CD2 3.51Å; K548-L675 HydrophobicContact CG-CD2 4.36Å
549	S	79.2	Confident	74.9	Confident	1 Å²	1	60.4 Å²	60.4	1%	0.007	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	145.4	168.2	58.7	0	0	0	0	110.7	G526 D527 V589	G526-S549 WeakPolarHBondContact CA-O 3.38Å; D527-S549 PolarHBondContact N-OG 2.77Å; D527-S549 PolarHBondContact O-N 2.86Å; D527-S549 PolarHBondContact O-OG 3.32Å; S549-V589 CarbonylContact C-O 3.54Å; S549-V589 WeakPolarHBondContact CA-O 3.45Å
550	L	73.2	Confident	74.3	Confident	22 Å²	22	56.7 Å²	56.7	12%	0.115	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	116.5	163.9	-177.2	68.6	0	0	0	107.9	Q558 F561 P588 V589	L550-Q558 HydrophobicContact CD2-CB 4.36Å; L550-Q558 HydrophobicContact CD2-CG 3.81Å; L550-F561 HydrophobicContact CB-CE1 4.3Å; L550-F561 HydrophobicContact CD1-CD2 4.26Å; L550-F561 HydrophobicContact CD1-CG 4.27Å; L550-F561 HydrophobicContact CD2-CB 4.1Å; L550-F561 HydrophobicContact CD2-CD1 3.73Å; L550-F561 HydrophobicContact CD2-CE1 4.29Å; L550-F561 HydrophobicContact CD2-CG 3.94Å; L550-P588 WeakPolarHBondContact O-CB 3.26Å; L550-V589 HydrophobicContact CB-CB 4.24Å; L550-V589 PolarHBondContact N-O 3.31Å
551	L	59.8	Low	73.8	Confident	79 Å²	79	54 Å²	54	41%	0.414	30%	0.297	S	S	.	.			trans	-81.9	-16	178.6	-71.2	173.6	0	0	0	113.3	G523 Y525 K553	G523-L551 WeakPolarHBondContact O-CD1 3.28Å; Y525-L551 PolarHBondContact O-N 3.15Å; L551-K553 PolarHBondContact O-N 2.91Å
552	S	61.5	Low	73.5	Confident	44 Å²	44	52.2 Å²	52.2	31%	0.308	28%	0.276	S	S	.	.			trans	-71.8	123.4	-177.4	-168.9	0	0	0	0	111.8	D554 Q558	S552-D554 VanDerWaalsContact C-N 3.3Å; S552-D554 WeakPolarHBondContact OG-CB 3.27Å; S552-D554 PolarHBondContact OG-N 3.06Å; S552-Q558 WeakPolarHBondContact O-CG 3.25Å; S552-Q558 PolarHBondContact O-NE2 3.04Å
553	K	60.8	Low	72.8	Confident	153 Å²	153	53.4 Å²	53.4	67%	0.665	27%	0.274	S	S	*	.			trans	-87.8	1.8	169.4	-62.5	-171	173.5	-168.9	0	113.4	L551 D555 E587	L551-K553 PolarHBondContact O-N 2.91Å; K553-D555 PolarHBondContact O-N 3.31Å; K553-E587 WeakPolarHBondContact CE-OE2 3.33Å; K553-E587 IonicContact NZ-OE2 3.96Å
554	D	60.5	Low	71.9	Confident	87 Å²	87	56.3 Å²	56.3	47%	0.465	29%	0.288	S	S	.	.			trans	-76.8	116.5	179	177.4	72.3	0	0	0	110	S552 F556 A557 Q558	S552-D554 VanDerWaalsContact C-N 3.3Å; S552-D554 WeakPolarHBondContact OG-CB 3.27Å; S552-D554 PolarHBondContact OG-N 3.06Å; D554-F556 PolarHBondContact O-N 3.44Å; D554-F556 WeakPolarHBondContact OD2-CB 3.37Å; D554-F556 PolarHBondContact OD2-N 2.85Å; D554-A557 HydrophobicContact CB-CB 4Å; D554-A557 PolarHBondContact O-N 2.93Å; D554-A557 VanDerWaalsContact O-N 3.1Å; D554-A557 WeakPolarHBondContact OD2-CB 3.5Å; D554-A557 PolarHBondContact OD2-N 3.07Å; D554-Q558 WeakPolarHBondContact O-CG 3.06Å; D554-Q558 PolarHBondContact O-N 3.31Å
555	D	63.5	Low	71.5	Confident	121 Å²	121	53.9 Å²	53.9	65%	0.647	27%	0.272	S	S	*	.	H	α-helix	trans	-54.7	-36.1	-177.7	-69.7	-16.5	0	0	0	112.6	K553 T559	K553-D555 PolarHBondContact O-N 3.31Å; D555-T559 WeakPolarHBondContact O-CB 3.02Å; D555-T559 PolarHBondContact O-N 3.11Å; D555-T559 PolarHBondContact O-OG1 3.23Å
556	F	61.1	Low	70.8	Confident	135 Å²	135	56.2 Å²	56.2	59%	0.592	28%	0.283	S	S	*	.	H	α-helix	trans	-68.3	-47.7	178.2	177.9	-96.7	0	0	0	111.2	D554 Q558 T559 E560	D554-F556 PolarHBondContact O-N 3.44Å; D554-F556 WeakPolarHBondContact OD2-CB 3.37Å; D554-F556 PolarHBondContact OD2-N 2.85Å; F556-Q558 VanDerWaalsContact C-N 3.32Å; F556-Q558 PolarHBondContact O-N 3.47Å; F556-T559 PolarHBondContact O-N 3.31Å; F556-E560 HydrophobicContact CD1-CG 4.43Å; F556-E560 HydrophobicContact CE1-CG 3.93Å; F556-E560 HydrophobicContact CE2-CG 4.11Å; F556-E560 HydrophobicContact CZ-CG 3.75Å; F556-E560 PolarHBondContact O-N 3.12Å
557	A	60.9	Low	70.3	Confident	33 Å²	33	59.4 Å²	59.4	27%	0.273	30%	0.298	S	S	.	.	H	α-helix	trans	-60.6	-39.7	174.8	0	0	0	0	0	112.2	D554 F561	D554-A557 HydrophobicContact CB-CB 4Å; D554-A557 PolarHBondContact O-N 2.93Å; D554-A557 VanDerWaalsContact O-N 3.1Å; D554-A557 WeakPolarHBondContact OD2-CB 3.5Å; D554-A557 PolarHBondContact OD2-N 3.07Å; A557-F561 WeakPolarHBondContact O-CB 3.05Å; A557-F561 PolarHBondContact O-N 3.48Å
558	Q	65.9	Low	69.7	Low	36 Å²	36	59.7 Å²	59.7	17%	0.168	30%	0.3	C	S	.	.	H	α-helix	trans	-64.3	-43.7	174.8	-68.5	-173.7	7.3	0	0	111.5	L550 S552 D554 F556 F561 L562 E587	L550-Q558 HydrophobicContact CD2-CB 4.36Å; L550-Q558 HydrophobicContact CD2-CG 3.81Å; S552-Q558 WeakPolarHBondContact O-CG 3.25Å; S552-Q558 PolarHBondContact O-NE2 3.04Å; D554-Q558 WeakPolarHBondContact O-CG 3.06Å; D554-Q558 PolarHBondContact O-N 3.31Å; F556-Q558 VanDerWaalsContact C-N 3.32Å; F556-Q558 PolarHBondContact O-N 3.47Å; Q558-F561 PolarHBondContact O-N 2.84Å; Q558-L562 WeakPolarHBondContact O-CB 3.01Å; Q558-L562 VanDerWaalsContact O-CG 3.29Å; Q558-L562 WeakPolarHBondContact O-CG 3.47Å; Q558-L562 PolarHBondContact O-N 3.21Å; Q558-E587 PolarHBondContact NE2-OE1 2.79Å
559	T	67.7	Low	69.6	Low	69 Å²	69	60.3 Å²	60.3	42%	0.423	31%	0.307	S	S	.	.	H	α-helix	trans	-64.1	-46	179	-60.5	0	0	0	0	111.9	D555 F556 L562 K563	D555-T559 WeakPolarHBondContact O-CB 3.02Å; D555-T559 PolarHBondContact O-N 3.11Å; D555-T559 PolarHBondContact O-OG1 3.23Å; F556-T559 PolarHBondContact O-N 3.31Å; T559-L562 PolarHBondContact O-N 2.78Å; T559-K563 WeakPolarHBondContact O-CG 3.35Å; T559-K563 PolarHBondContact O-N 3.14Å
560	E	66.8	Low	69.6	Low	82 Å²	82	66.3 Å²	66.3	38%	0.383	33%	0.33	S	S	.	.	H	α-helix	trans	-65.2	-40.1	176.8	-71.8	-62.8	115.7	0	0	111.6	F556 K563 E564	F556-E560 HydrophobicContact CD1-CG 4.43Å; F556-E560 HydrophobicContact CE1-CG 3.93Å; F556-E560 HydrophobicContact CE2-CG 4.11Å; F556-E560 HydrophobicContact CZ-CG 3.75Å; F556-E560 PolarHBondContact O-N 3.12Å; E560-K563 PolarHBondContact O-N 3.47Å; E560-K563 IonicContact OE1-NZ 2.87Å; E560-K563 PolarHBondContact OE1-NZ 3.03Å; E560-E564 PolarHBondContact O-N 3.41Å
561	F	69.6	Low	69.9	Low	20 Å²	20	65.8 Å²	65.8	9%	0.088	33%	0.328	C	S	.	.	H	α-helix	trans	-61	-44.7	174.1	179.1	-102.2	0	0	0	112.4	L550 A557 Q558 E564 M565 V589 V591 L673	L550-F561 HydrophobicContact CB-CE1 4.3Å; L550-F561 HydrophobicContact CD1-CD2 4.26Å; L550-F561 HydrophobicContact CD1-CG 4.27Å; L550-F561 HydrophobicContact CD2-CB 4.1Å; L550-F561 HydrophobicContact CD2-CD1 3.73Å; L550-F561 HydrophobicContact CD2-CE1 4.29Å; L550-F561 HydrophobicContact CD2-CG 3.94Å; A557-F561 WeakPolarHBondContact O-CB 3.05Å; A557-F561 PolarHBondContact O-N 3.48Å; Q558-F561 PolarHBondContact O-N 2.84Å; F561-E564 WeakPolarHBondContact O-CB 3.28Å; F561-E564 PolarHBondContact O-N 2.9Å; F561-M565 HydrophobicContact CD1-CG 4.36Å; F561-M565 HydrophobicContact CE1-CG 4.07Å; F561-M565 HydrophobicContact CZ-CG 4.22Å; F561-M565 HydrophobicContact CZ-SD 4.49Å; F561-M565 WeakPolarHBondContact O-CG 3.3Å; F561-M565 PolarHBondContact O-N 3.4Å; F561-V589 HydrophobicContact CE1-CG1 4.38Å; F561-V591 HydrophobicContact CE1-CG2 3.43Å; F561-V591 VanDerWaalsContact CE1-CG2 3.43Å; F561-V591 HydrophobicContact CZ-CB 4.38Å; F561-V591 HydrophobicContact CZ-CG2 3.37Å; F561-L673 HydrophobicContact CE2-CD2 4.09Å
562	L	75.7	Confident	71	Confident	50 Å²	50	67.6 Å²	67.6	26%	0.262	34%	0.338	S	S	.	.	H	α-helix	trans	-65.3	-39	176.7	-71.2	175.2	0	0	0	111.9	L504 Q558 T559 E564 M565 E566 I582 T584	L504-L562 HydrophobicContact CD1-CB 4.25Å; L504-L562 HydrophobicContact CD1-CD2 4.36Å; L504-L562 WeakPolarHBondContact CD1-O 3.48Å; Q558-L562 WeakPolarHBondContact O-CB 3.01Å; Q558-L562 VanDerWaalsContact O-CG 3.29Å; Q558-L562 WeakPolarHBondContact O-CG 3.47Å; Q558-L562 PolarHBondContact O-N 3.21Å; T559-L562 PolarHBondContact O-N 2.78Å; L562-E564 VanDerWaalsContact C-N 3.31Å; L562-E564 PolarHBondContact O-N 3.28Å; L562-M565 PolarHBondContact O-N 3.48Å; L562-M565 VanDerWaalsContact O-N 3.14Å; L562-E566 PolarHBondContact O-N 3.41Å; L562-I582 HydrophobicContact CD2-CD1 3.41Å; L562-I582 VanDerWaalsContact CD2-CD1 3.41Å; L562-T584 HydrophobicContact CD2-CG2 4.01Å
563	K	72.4	Confident	72.4	Confident	111 Å²	111	67.3 Å²	67.3	48%	0.483	33%	0.331	S	S	.	.	H	α-helix	trans	-59.5	-42.7	172.5	-72.8	173.9	-171.8	166.5	0	111.7	T559 E560 M565 E566 M567	T559-K563 WeakPolarHBondContact O-CG 3.35Å; T559-K563 PolarHBondContact O-N 3.14Å; E560-K563 PolarHBondContact O-N 3.47Å; E560-K563 IonicContact OE1-NZ 2.87Å; E560-K563 PolarHBondContact OE1-NZ 3.03Å; K563-M565 VanDerWaalsContact C-N 3.3Å; K563-M565 PolarHBondContact O-N 3.02Å; K563-E566 PolarHBondContact O-N 3.36Å; K563-M567 WeakPolarHBondContact O-CG 3.37Å; K563-M567 PolarHBondContact O-N 3.34Å; K563-M567 VanDerWaalsContact O-N 3.08Å
564	E	72.7	Confident	74	Confident	61 Å²	61	64 Å²	64	29%	0.285	33%	0.325	S	S	.	.	H	α-helix	trans	-60.4	-41.9	174.7	-166.7	-172.1	152.8	0	0	111.2	E560 F561 L562 M567 H568 H672	E560-E564 PolarHBondContact O-N 3.41Å; F561-E564 WeakPolarHBondContact O-CB 3.28Å; F561-E564 PolarHBondContact O-N 2.9Å; L562-E564 VanDerWaalsContact C-N 3.31Å; L562-E564 PolarHBondContact O-N 3.28Å; E564-M567 WeakPolarHBondContact O-CB 3.43Å; E564-M567 PolarHBondContact O-N 3.12Å; E564-H568 WeakPolarHBondContact O-CB 3.46Å; E564-H568 PolarHBondContact O-N 3.34Å; E564-H672 IonicContact OE1-CE1 3.16Å; E564-H672 PolarHBondContact OE1-CE1 3.47Å; E564-H672 IonicContact OE1-ND1 3.12Å; E564-H672 PolarHBondContact OE1-ND1 3.41Å
565	M	79.2	Confident	75.7	Confident	0 Å²	0	60.1 Å²	60.1	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-68	-35.9	178	-68.4	-54.5	90.8	0	0	113.2	L504 F561 L562 K563 M567 H568 A569 L579 V591 L673	L504-M565 HydrophobicContact CD2-CB 3.98Å; F561-M565 HydrophobicContact CD1-CG 4.36Å; F561-M565 HydrophobicContact CE1-CG 4.07Å; F561-M565 HydrophobicContact CZ-CG 4.22Å; F561-M565 HydrophobicContact CZ-SD 4.49Å; F561-M565 WeakPolarHBondContact O-CG 3.3Å; F561-M565 PolarHBondContact O-N 3.4Å; L562-M565 PolarHBondContact O-N 3.48Å; L562-M565 VanDerWaalsContact O-N 3.14Å; K563-M565 VanDerWaalsContact C-N 3.3Å; K563-M565 PolarHBondContact O-N 3.02Å; M565-M567 VanDerWaalsContact C-N 3.29Å; M565-M567 PolarHBondContact O-N 2.86Å; M565-H568 HydrophobicContact CE-CB 4.22Å; M565-H568 PolarHBondContact O-N 3.06Å; M565-A569 VanDerWaalsContact O-CB 3.3Å; M565-A569 WeakPolarHBondContact O-CB 3.12Å; M565-A569 PolarHBondContact O-N 3.4Å; M565-L579 HydrophobicContact CB-CD2 4.24Å; M565-L579 HydrophobicContact SD-CD2 4.48Å; M565-V591 HydrophobicContact CG-CG2 4.13Å; M565-V591 HydrophobicContact SD-CG1 3.75Å; M565-V591 HydrophobicContact SD-CG2 4.11Å; M565-L673 HydrophobicContact CE-CD1 4.01Å; M565-L673 HydrophobicContact CE-CD2 3.11Å; M565-L673 HydrophobicContact CE-CG 3.58Å; M565-L673 HydrophobicContact SD-CD1 3.83Å; M565-L673 HydrophobicContact SD-CD2 3.68Å; M565-L673 HydrophobicContact SD-CG 4.08Å
566	E	79	Confident	77	Confident	49 Å²	49	54.5 Å²	54.5	23%	0.229	28%	0.275	C	S	.	.	H	α-helix	trans	-66	-36	174	-168.9	169.8	171.1	0	0	111.7	L504 L562 K563 R570	L504-E566 HydrophobicContact CD1-CB 3.82Å; L504-E566 HydrophobicContact CD2-CB 4.48Å; L504-E566 HydrophobicContact CG-CB 3.9Å; L504-E566 HydrophobicContact CG-CG 4.26Å; L562-E566 PolarHBondContact O-N 3.41Å; K563-E566 PolarHBondContact O-N 3.36Å; E566-R570 WeakPolarHBondContact O-CG 3.42Å; E566-R570 IonicContact OE1-CZ 2.87Å; E566-R570 IonicContact OE1-NH2 3.63Å; E566-R570 PolarHBondContact OE1-NH2 3.31Å
567	M	75.3	Confident	78.3	Confident	82 Å²	82	48.1 Å²	48.1	40%	0.404	25%	0.247	S	C	.	.	H	α-helix	trans	-67.3	-43.7	172.9	-67.7	-59.9	-63.5	0	0	111.4	K563 E564 M565 A569 R570 F650	K563-M567 WeakPolarHBondContact O-CG 3.37Å; K563-M567 PolarHBondContact O-N 3.34Å; K563-M567 VanDerWaalsContact O-N 3.08Å; E564-M567 WeakPolarHBondContact O-CB 3.43Å; E564-M567 PolarHBondContact O-N 3.12Å; M565-M567 VanDerWaalsContact C-N 3.29Å; M565-M567 PolarHBondContact O-N 2.86Å; M567-A569 VanDerWaalsContact C-N 3.35Å; M567-A569 PolarHBondContact O-N 2.78Å; M567-R570 PolarHBondContact O-N 3.1Å; M567-F650 HydrophobicContact CB-CE2 4.09Å; M567-F650 HydrophobicContact CE-CD2 3.92Å; M567-F650 HydrophobicContact CE-CE2 4.29Å
568	H	75.5	Confident	79.7	Confident	6 Å²	6	50.9 Å²	50.9	3%	0.028	25%	0.25	C	S	.	.	H	α-helix	trans	-62.8	-39.9	177.1	-165.6	-111.7	0	0	0	112.3	E564 M565 R570 C571 A577 H672	E564-H568 WeakPolarHBondContact O-CB 3.46Å; E564-H568 PolarHBondContact O-N 3.34Å; M565-H568 HydrophobicContact CE-CB 4.22Å; M565-H568 PolarHBondContact O-N 3.06Å; H568-R570 PolarHBondContact O-N 2.96Å; H568-R570 VanDerWaalsContact O-N 3.11Å; H568-C571 WeakPolarHBondContact O-CB 3.31Å; H568-C571 PolarHBondContact O-N 2.75Å; H568-A577 PolarHBondContact CE1-O 3.19Å; H568-A577 PolarHBondContact NE2-O 3.18Å; H568-H672 VanDerWaalsContact CD2-CB 3.48Å; H568-H672 WeakPolarHBondContact CD2-CB 3.17Å
569	A	82.3	Confident	80.8	Confident	26 Å²	26	49.5 Å²	49.5	22%	0.215	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-20.5	177.5	0	0	0	0	0	114.3	T503 L507 M565 M567 L579	T503-A569 HydrophobicContact CG2-CB 3.62Å; L507-A569 HydrophobicContact CD1-CB 3.56Å; M565-A569 VanDerWaalsContact O-CB 3.3Å; M565-A569 WeakPolarHBondContact O-CB 3.12Å; M565-A569 PolarHBondContact O-N 3.4Å; M567-A569 VanDerWaalsContact C-N 3.35Å; M567-A569 PolarHBondContact O-N 2.78Å; A569-L579 HydrophobicContact CB-CD2 4.13Å
570	R	78.1	Confident	81.9	Confident	127 Å²	127	47 Å²	47	48%	0.479	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.4	-6.8	179.2	-64	168.9	-171.8	-150	1.9	113	E566 M567 H568 R648	E566-R570 WeakPolarHBondContact O-CG 3.42Å; E566-R570 IonicContact OE1-CZ 2.87Å; E566-R570 IonicContact OE1-NH2 3.63Å; E566-R570 PolarHBondContact OE1-NH2 3.31Å; M567-R570 PolarHBondContact O-N 3.1Å; H568-R570 PolarHBondContact O-N 2.96Å; H568-R570 VanDerWaalsContact O-N 3.11Å; R570-R648 PolarHBondContact O-NE 3.25Å
571	C	79	Confident	83.1	Confident	11 Å²	11	43 Å²	43	7%	0.074	21%	0.21	C	C	.	.			trans	-98.9	90.5	-178.8	-59.6	0	0	0	0	109.6	H568 M576 L645	H568-C571 WeakPolarHBondContact O-CB 3.31Å; H568-C571 PolarHBondContact O-N 2.75Å; C571-M576 HydrophobicContact CB-CE 4.29Å; C571-L645 HydrophobicContact CB-CD2 4.16Å; C571-L645 VanDerWaalsContact SG-CD2 3.5Å
572	D	83.9	Confident	84.1	Confident	116 Å²	116	42.1 Å²	42.1	62%	0.62	21%	0.206	S	C	*	.			trans	-105.9	103	176.8	-174.5	27.2	0	0	0	110.3	H644	D572-H644 PolarHBondContact O-CE1 3.48Å
573	H	91.8	Very high	84.7	Confident	38 Å²	38	40 Å²	40	18%	0.176	20%	0.195	C	C	.	.			trans	-148.2	143	-179.5	-173.2	-97.1	0	0	0	109.6	N575 M576 H644	H573-N575 PolarHBondContact CE1-OD1 3.2Å; H573-N575 PolarHBondContact ND1-N 2.85Å; H573-N575 VanDerWaalsContact ND1-N 3.11Å; H573-N575 PolarHBondContact O-N 3.23Å; H573-N575 VanDerWaalsContact O-N 3.14Å; H573-M576 HydrophobicContact CB-CB 3.98Å; H573-M576 HydrophobicContact CB-CG 3.73Å; H573-M576 PolarHBondContact O-N 3.17Å; H573-H644 HydrophobicContact CB-CB 4.35Å; H573-H644 AromaticContact CD2-CG 3.85Å; H573-H644 AromaticContact CD2-ND1 3.58Å; H573-H644 AromaticContact CG-CG 3.94Å; H573-H644 AromaticContact CG-ND1 3.95Å
574	P	93.1	Very high	85.3	Confident	83 Å²	83	37.3 Å²	37.3	54%	0.539	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.4	-43.2	179.1	-29.8	36.1	0	0	0	113.3	F667 K669	P574-F667 HydrophobicContact CB-CZ 3.96Å; P574-F667 WeakPolarHBondContact O-CE1 3.24Å; P574-F667 WeakPolarHBondContact O-CZ 3.33Å; P574-K669 PolarHBondContact O-NZ 3.46Å
575	N	95.5	Very high	85.5	Confident	7 Å²	7	42.3 Å²	42.3	4%	0.037	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.4	15.4	-179.4	-55.1	101	0	0	0	114.9	H573 Q637 A641 F667 V668 K669 V670	H573-N575 PolarHBondContact CE1-OD1 3.2Å; H573-N575 PolarHBondContact ND1-N 2.85Å; H573-N575 VanDerWaalsContact ND1-N 3.11Å; H573-N575 PolarHBondContact O-N 3.23Å; H573-N575 VanDerWaalsContact O-N 3.14Å; N575-Q637 WeakPolarHBondContact CB-O 3.29Å; N575-Q637 WeakPolarHBondContact ND2-CB 3.43Å; N575-Q637 PolarHBondContact ND2-OE1 3.23Å; N575-A641 HydrophobicContact CB-CB 3.87Å; N575-A641 VanDerWaalsContact O-CB 3.29Å; N575-A641 WeakPolarHBondContact O-CB 3.47Å; N575-F667 VanDerWaalsContact ND2-CE2 3.29Å; N575-F667 WeakPolarHBondContact ND2-CE2 3.39Å; N575-F667 VanDerWaalsContact ND2-CZ 3.26Å; N575-F667 WeakPolarHBondContact ND2-CZ 3.4Å; N575-V668 WeakPolarHBondContact CA-O 3.49Å; N575-V668 PolarHBondContact ND2-O 3.14Å; N575-K669 CarbonylContact O-C 3.6Å; N575-K669 VanDerWaalsContact O-CA 3.3Å; N575-K669 WeakPolarHBondContact O-CA 3.43Å; N575-V670 PolarHBondContact O-N 2.93Å
576	M	91.7	Very high	85.2	Confident	2 Å²	2	45 Å²	45	1%	0.01	23%	0.232	C	C	.	.	B	Isolated β-bridge	trans	-108.2	139.5	167.8	-71.1	-69.6	-60.2	0	0	108.9	C571 H573 R578 A641 L645 V670	C571-M576 HydrophobicContact CB-CE 4.29Å; H573-M576 HydrophobicContact CB-CB 3.98Å; H573-M576 HydrophobicContact CB-CG 3.73Å; H573-M576 PolarHBondContact O-N 3.17Å; M576-R578 PolarHBondContact O-N 3.46Å; M576-A641 HydrophobicContact CG-CB 4.11Å; M576-A641 HydrophobicContact SD-CB 3.86Å; M576-L645 HydrophobicContact CE-CD1 3.9Å; M576-L645 HydrophobicContact CE-CD2 3.71Å; M576-L645 HydrophobicContact CE-CG 3.99Å; M576-L645 HydrophobicContact SD-CD1 4.02Å; M576-L645 HydrophobicContact SD-CD2 4.32Å; M576-L645 HydrophobicContact SD-CG 4.02Å; M576-V670 HydrophobicContact SD-CB 3.87Å; M576-V670 HydrophobicContact SD-CG1 4.27Å
577	A	89.3	Confident	85.1	Confident	2 Å²	2	47.6 Å²	47.6	2%	0.017	24%	0.244	C	C	.	.			trans	-68.4	116.1	175.8	0	0	0	0	0	109.4	H568 L661 K669 V670	H568-A577 PolarHBondContact CE1-O 3.19Å; H568-A577 PolarHBondContact NE2-O 3.18Å; A577-L661 HydrophobicContact CB-CD1 4.44Å; A577-K669 HydrophobicContact CB-CB 4.22Å; A577-V670 PolarHBondContact N-O 3.49Å
578	R	89.1	Confident	85.2	Confident	90 Å²	90	46.1 Å²	46.1	34%	0.34	24%	0.241	S	C	.	.			trans	-77.9	138.8	-176.3	-167.9	164.9	51.9	113.6	-1	111.6	M576 L580 E594	M576-R578 PolarHBondContact O-N 3.46Å; R578-L580 HydrophobicContact CB-CD2 4.39Å; R578-L580 HydrophobicContact CG-CD2 4.36Å; R578-L580 VanDerWaalsContact NH2-CD2 3.27Å; R578-L580 PolarHBondContact O-N 3.13Å; R578-E594 VanDerWaalsContact CB-CD 3.4Å; R578-E594 HydrophobicContact CB-CG 3.99Å; R578-E594 WeakPolarHBondContact CB-OE1 2.85Å; R578-E594 IonicContact CZ-OE1 2.8Å; R578-E594 PolarHBondContact N-OE2 3.49Å; R578-E594 IonicContact NE-OE1 2.88Å; R578-E594 PolarHBondContact NE-OE1 2.92Å; R578-E594 IonicContact NH2-OE1 3.1Å; R578-E594 PolarHBondContact NH2-OE1 3.46Å; R578-E594 VanDerWaalsContact NH2-OE1 3.13Å; R578-E594 PolarHBondContact O-N 2.61Å
579	L	89.7	Confident	85.5	Confident	8 Å²	8	46.3 Å²	46.3	4%	0.042	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	107.6	164.2	-179.1	59.2	0	0	0	108.8	L504 L507 M565 A569 G581 V591 L593	L504-L579 HydrophobicContact CD2-CD2 4.32Å; L507-L579 HydrophobicContact CD1-CD2 3.73Å; L507-L579 HydrophobicContact CD1-CG 3.99Å; M565-L579 HydrophobicContact CB-CD2 4.24Å; M565-L579 HydrophobicContact SD-CD2 4.48Å; A569-L579 HydrophobicContact CB-CD2 4.13Å; L579-G581 WeakPolarHBondContact CD1-O 3.37Å; L579-V591 HydrophobicContact CD1-CG1 3.42Å; L579-V591 VanDerWaalsContact CD1-CG1 3.42Å; L579-L593 HydrophobicContact CD1-CD2 4.12Å
580	L	90.8	Very high	85.8	Confident	15 Å²	15	45.4 Å²	45.4	8%	0.079	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	-29.5	-177.7	-59.9	179.2	0	0	0	112.2	L536 V545 R578 I592 E594	L536-L580 HydrophobicContact CD2-CB 4.17Å; V545-L580 HydrophobicContact CG1-CD1 3.58Å; R578-L580 HydrophobicContact CB-CD2 4.39Å; R578-L580 HydrophobicContact CG-CD2 4.36Å; R578-L580 VanDerWaalsContact NH2-CD2 3.27Å; R578-L580 PolarHBondContact O-N 3.13Å; L580-I592 HydrophobicContact CB-CG2 4.2Å; L580-I592 PolarHBondContact N-O 2.83Å; L580-E594 HydrophobicContact CD1-CG 3.91Å; L580-E594 HydrophobicContact CD2-CG 3.72Å; L580-E594 HydrophobicContact CG-CG 3.88Å
581	G	91.5	Very high	86.3	Confident	0 Å²	0	39.4 Å²	39.4	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-177.9	169.4	178.9	0	0	0	0	0	113.5	L507 L579 I592	L507-G581 CarbonylContact O-C 3.53Å; L507-G581 WeakPolarHBondContact O-CA 3.39Å; L579-G581 WeakPolarHBondContact CD1-O 3.37Å; G581-I592 PolarHBondContact N-O 2.9Å; G581-I592 WeakPolarHBondContact O-CB 3.41Å; G581-I592 PolarHBondContact O-N 3.11Å
582	I	91	Very high	86.9	Confident	1 Å²	1	38.9 Å²	38.9	1%	0.005	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	138.4	178.1	-163.3	173.2	0	0	0	110.9	L504 L507 Q508 Y509 L562 T584 V589 L590 V591	L504-I582 HydrophobicContact CD2-CD1 4.41Å; L507-I582 HydrophobicContact CB-CG2 4.26Å; L507-I582 PolarHBondContact O-N 2.82Å; Q508-I582 WeakPolarHBondContact CA-O 3.39Å; Q508-I582 VanDerWaalsContact CD-O 3.28Å; Q508-I582 PolarHBondContact NE2-O 3.17Å; Q508-I582 PolarHBondContact OE1-O 3.46Å; Y509-I582 PolarHBondContact N-O 3.29Å; L562-I582 HydrophobicContact CD2-CD1 3.41Å; L562-I582 VanDerWaalsContact CD2-CD1 3.41Å; I582-T584 HydrophobicContact CD1-CG2 3.65Å; I582-T584 HydrophobicContact CG1-CG2 3.71Å; I582-T584 HydrophobicContact CG2-CG2 4.18Å; I582-V589 HydrophobicContact CD1-CG1 4.36Å; I582-V589 HydrophobicContact CG1-CG1 4.31Å; I582-L590 CarbonylContact C-O 3.57Å; I582-L590 VanDerWaalsContact CA-O 3.32Å; I582-L590 WeakPolarHBondContact CA-O 3.48Å; I582-L590 VanDerWaalsContact CG1-O 3.28Å; I582-L590 WeakPolarHBondContact CG1-O 3.21Å; I582-V591 HydrophobicContact CD1-CG2 4.36Å; I582-V591 HydrophobicContact CG1-CG2 4.26Å
583	C	89	Confident	87.1	Confident	4 Å²	4	33.4 Å²	33.4	3%	0.027	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	96.5	174.5	-52.1	0	0	0	0	109.2	Y509 V589 L590	Y509-C583 PolarHBondContact O-SG 3.37Å; C583-V589 WeakPolarHBondContact O-CA 3.48Å; C583-L590 HydrophobicContact CB-CB 3.83Å; C583-L590 HydrophobicContact CB-CD1 4.29Å; C583-L590 HydrophobicContact CB-CG 4.19Å; C583-L590 PolarHBondContact N-O 3.39Å; C583-L590 PolarHBondContact O-N 3.05Å
584	T	84.2	Confident	86.9	Confident	56 Å²	56	32.6 Å²	32.6	34%	0.344	18%	0.175	S	C	.	.			trans	-105.1	-13.6	-178.3	65.3	0	0	0	0	114.1	Q508 L562 I582 S586 V589	Q508-T584 PolarHBondContact OE1-OG1 2.99Å; L562-T584 HydrophobicContact CD2-CG2 4.01Å; I582-T584 HydrophobicContact CD1-CG2 3.65Å; I582-T584 HydrophobicContact CG1-CG2 3.71Å; I582-T584 HydrophobicContact CG2-CG2 4.18Å; T584-S586 PolarHBondContact O-N 3.08Å; T584-V589 HydrophobicContact CG2-CG1 4.21Å
585	M	76.1	Confident	86.4	Confident	165 Å²	165	32.5 Å²	32.5	81%	0.813	16%	0.164	S	C	*	.	S	Bend	trans	-68.4	-17.1	-174	-61.3	-61.3	-73.9	0	0	114.7	Q508	Q508-M585 HydrophobicContact CG-CG 4.46Å
586	S	74.3	Confident	85.8	Confident	57 Å²	57	32.9 Å²	32.9	40%	0.399	17%	0.166	S	C	.	.	S	Bend	trans	-148.3	150.3	177.4	74.9	0	0	0	0	110.4	R511 T584	R511-S586 PolarHBondContact NE-OG 3.01Å; R511-S586 PolarHBondContact NH2-O 3.25Å; R511-S586 PolarHBondContact NH2-OG 2.83Å; T584-S586 PolarHBondContact O-N 3.08Å
587	E	75.4	Confident	85	Confident	104 Å²	104	36.3 Å²	36.3	49%	0.486	19%	0.185	S	C	.	.	S	Bend	trans	-73.9	151.5	171.7	-68.7	-167.7	160.9	0	0	112.1	K553 Q558	K553-E587 WeakPolarHBondContact CE-OE2 3.33Å; K553-E587 IonicContact NZ-OE2 3.96Å; Q558-E587 PolarHBondContact NE2-OE1 2.79Å
588	P	77.1	Confident	84.5	Confident	50 Å²	50	40.4 Å²	40.4	33%	0.325	20%	0.2	S	C	.	.	S	Bend	cis	-73.7	146.1	-10.9	31.1	-34.7	0	0	0	111	R511 L550 L590	R511-P588 PolarHBondContact NH2-O 2.91Å; L550-P588 WeakPolarHBondContact O-CB 3.26Å; P588-L590 HydrophobicContact CG-CD2 4.2Å; P588-L590 PolarHBondContact O-N 2.58Å
589	V	82.6	Confident	84	Confident	10 Å²	10	37.5 Å²	37.5	6%	0.061	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.7	131.3	175.4	175.4	0	0	0	0	109.4	S549 L550 F561 I582 C583 T584	S549-V589 CarbonylContact C-O 3.54Å; S549-V589 WeakPolarHBondContact CA-O 3.45Å; L550-V589 HydrophobicContact CB-CB 4.24Å; L550-V589 PolarHBondContact N-O 3.31Å; F561-V589 HydrophobicContact CE1-CG1 4.38Å; I582-V589 HydrophobicContact CD1-CG1 4.36Å; I582-V589 HydrophobicContact CG1-CG1 4.31Å; C583-V589 WeakPolarHBondContact O-CA 3.48Å; T584-V589 HydrophobicContact CG2-CG1 4.21Å
590	L	87.9	Confident	83.9	Confident	8 Å²	8	37.5 Å²	37.5	4%	0.042	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	137.7	179	-52.6	179.8	0	0	0	111.2	R511 L514 V547 K548 I582 C583 P588	R511-L590 HydrophobicContact CG-CD1 4.3Å; L514-L590 HydrophobicContact CD1-CD1 3.84Å; V547-L590 HydrophobicContact CG1-CB 3.85Å; V547-L590 HydrophobicContact CG1-CD1 4.07Å; V547-L590 HydrophobicContact CG1-CD2 4.15Å; V547-L590 HydrophobicContact CG1-CG 4.25Å; K548-L590 CarbonylContact O-C 3.5Å; K548-L590 WeakPolarHBondContact O-CA 3.5Å; I582-L590 CarbonylContact C-O 3.57Å; I582-L590 VanDerWaalsContact CA-O 3.32Å; I582-L590 WeakPolarHBondContact CA-O 3.48Å; I582-L590 VanDerWaalsContact CG1-O 3.28Å; I582-L590 WeakPolarHBondContact CG1-O 3.21Å; C583-L590 HydrophobicContact CB-CB 3.83Å; C583-L590 HydrophobicContact CB-CD1 4.29Å; C583-L590 HydrophobicContact CB-CG 4.19Å; C583-L590 PolarHBondContact N-O 3.39Å; C583-L590 PolarHBondContact O-N 3.05Å; P588-L590 HydrophobicContact CG-CD2 4.2Å; P588-L590 PolarHBondContact O-N 2.58Å
591	V	88.8	Confident	83.9	Confident	0 Å²	0	36.8 Å²	36.8	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	124.8	173.7	175.5	0	0	0	0	108.5	V547 K548 F561 M565 L579 I582 L593 L673	V547-V591 CarbonylContact C-O 3.52Å; V547-V591 WeakPolarHBondContact CA-O 3.31Å; K548-V591 PolarHBondContact N-O 2.8Å; K548-V591 PolarHBondContact O-N 3.43Å; F561-V591 HydrophobicContact CE1-CG2 3.43Å; F561-V591 VanDerWaalsContact CE1-CG2 3.43Å; F561-V591 HydrophobicContact CZ-CB 4.38Å; F561-V591 HydrophobicContact CZ-CG2 3.37Å; M565-V591 HydrophobicContact CG-CG2 4.13Å; M565-V591 HydrophobicContact SD-CG1 3.75Å; M565-V591 HydrophobicContact SD-CG2 4.11Å; L579-V591 HydrophobicContact CD1-CG1 3.42Å; L579-V591 VanDerWaalsContact CD1-CG1 3.42Å; I582-V591 HydrophobicContact CD1-CG2 4.36Å; I582-V591 HydrophobicContact CG1-CG2 4.26Å; V591-L593 HydrophobicContact CG1-CD1 4.32Å; V591-L593 HydrophobicContact CG1-CD2 4.2Å; V591-L593 HydrophobicContact CG1-CG 4.11Å; V591-L673 HydrophobicContact CG1-CD1 3.84Å
592	I	91.5	Very high	83.7	Confident	0 Å²	0	36.8 Å²	36.8	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	120.7	-172.9	-50.2	166.4	0	0	0	109	Y509 L514 L536 V545 V547 L580 G581	Y509-I592 HydrophobicContact CD1-CD1 3.37Å; Y509-I592 HydrophobicContact CE1-CD1 4.14Å; Y509-I592 HydrophobicContact CG-CD1 3.66Å; L514-I592 HydrophobicContact CD1-CD1 4.08Å; L514-I592 HydrophobicContact CD1-CG1 4.29Å; L514-I592 HydrophobicContact CD2-CD1 4.04Å; L514-I592 HydrophobicContact CD2-CG1 4.42Å; L514-I592 HydrophobicContact CG-CD1 4.43Å; L536-I592 HydrophobicContact CD1-CG2 3.86Å; L536-I592 HydrophobicContact CD2-CD1 4.38Å; L536-I592 HydrophobicContact CD2-CG2 4.33Å; V545-I592 HydrophobicContact CB-CG2 3.83Å; V545-I592 HydrophobicContact CG1-CG2 4.11Å; V545-I592 HydrophobicContact CG2-CG2 3.82Å; V547-I592 HydrophobicContact CG2-CG1 4.28Å; V547-I592 HydrophobicContact CG2-CG2 4.3Å; L580-I592 HydrophobicContact CB-CG2 4.2Å; L580-I592 PolarHBondContact N-O 2.83Å; G581-I592 PolarHBondContact N-O 2.9Å; G581-I592 WeakPolarHBondContact O-CB 3.41Å; G581-I592 PolarHBondContact O-N 3.11Å
593	L	88.9	Confident	83.1	Confident	2 Å²	2	39.8 Å²	39.8	1%	0.01	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	158.6	-172.7	-60.5	158.3	0	0	0	111.2	V545 V546 L579 V591 Y595 L673 L675	V545-L593 WeakPolarHBondContact CB-O 3.36Å; V546-L593 HydrophobicContact CB-CB 4.43Å; V546-L593 PolarHBondContact N-O 3.39Å; V546-L593 PolarHBondContact O-N 3.28Å; L579-L593 HydrophobicContact CD1-CD2 4.12Å; V591-L593 HydrophobicContact CG1-CD1 4.32Å; V591-L593 HydrophobicContact CG1-CD2 4.2Å; V591-L593 HydrophobicContact CG1-CG 4.11Å; L593-Y595 PolarHBondContact O-N 3.23Å; L593-L673 HydrophobicContact CD1-CD1 3.35Å; L593-L673 HydrophobicContact CD2-CD1 3.5Å; L593-L673 VanDerWaalsContact CD2-CD1 3.5Å; L593-L673 HydrophobicContact CG-CD1 3.95Å; L593-L675 HydrophobicContact CD1-CD1 3.59Å; L593-L675 HydrophobicContact CD1-CD2 3.38Å; L593-L675 HydrophobicContact CD1-CG 4.05Å
594	E	87.4	Confident	82.8	Confident	20 Å²	20	39.8 Å²	39.8	9%	0.093	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.9	135.4	171.4	-68.4	-179.8	153.7	0	0	111.8	R578 L580 K669	R578-E594 VanDerWaalsContact CB-CD 3.4Å; R578-E594 HydrophobicContact CB-CG 3.99Å; R578-E594 WeakPolarHBondContact CB-OE1 2.85Å; R578-E594 IonicContact CZ-OE1 2.8Å; R578-E594 PolarHBondContact N-OE2 3.49Å; R578-E594 IonicContact NE-OE1 2.88Å; R578-E594 PolarHBondContact NE-OE1 2.92Å; R578-E594 IonicContact NH2-OE1 3.1Å; R578-E594 PolarHBondContact NH2-OE1 3.46Å; R578-E594 VanDerWaalsContact NH2-OE1 3.13Å; R578-E594 PolarHBondContact O-N 2.61Å; L580-E594 HydrophobicContact CD1-CG 3.91Å; L580-E594 HydrophobicContact CD2-CG 3.72Å; L580-E594 HydrophobicContact CG-CG 3.88Å; E594-K669 IonicContact OE1-NZ 2.63Å; E594-K669 VanDerWaalsContact OE2-CD 3.28Å; E594-K669 WeakPolarHBondContact OE2-CD 3.45Å; E594-K669 WeakPolarHBondContact OE2-CE 3.05Å; E594-K669 IonicContact OE2-NZ 2.76Å; E594-K669 PolarHBondContact OE2-NZ 2.86Å
595	Y	83.7	Confident	83	Confident	82 Å²	82	37.2 Å²	37.2	32%	0.322	19%	0.192	S	C	.	.			trans	-96.2	133.9	175.3	170.4	-104.4	0	0	0	111.2	L530 T544 V546 L593 D597	L530-Y595 HydrophobicContact CD1-CD1 4.47Å; L530-Y595 HydrophobicContact CD1-CD2 3.42Å; L530-Y595 VanDerWaalsContact CD1-CD2 3.42Å; L530-Y595 HydrophobicContact CD1-CE1 4.5Å; L530-Y595 HydrophobicContact CD1-CE2 3.47Å; L530-Y595 VanDerWaalsContact CD1-CE2 3.47Å; L530-Y595 HydrophobicContact CD1-CG 3.95Å; T544-Y595 HydrophobicContact CG2-CD1 3.52Å; T544-Y595 HydrophobicContact CG2-CD2 4.5Å; T544-Y595 HydrophobicContact CG2-CE1 3.95Å; T544-Y595 HydrophobicContact CG2-CG 3.82Å; T544-Y595 WeakPolarHBondContact O-CB 3.48Å; V546-Y595 HydrophobicContact CG2-CD2 3.79Å; V546-Y595 HydrophobicContact CG2-CG 4.42Å; L593-Y595 PolarHBondContact O-N 3.23Å; Y595-D597 HydrophobicContact CE1-CB 4.22Å
596	L	82.2	Confident	83.3	Confident	15 Å²	15	32.5 Å²	32.5	8%	0.079	17%	0.168	C	C	.	.			trans	-120.1	135.9	169.7	-83.9	71.8	0	0	0	109	Y598 G599 L661 I662 K669	L596-Y598 PolarHBondContact O-N 3.19Å; L596-G599 PolarHBondContact O-N 3.11Å; L596-G599 VanDerWaalsContact O-N 3.08Å; L596-L661 HydrophobicContact CB-CB 4.2Å; L596-L661 HydrophobicContact CD1-CB 4.48Å; L596-L661 HydrophobicContact CD2-CB 3.91Å; L596-L661 HydrophobicContact CG-CB 4.42Å; L596-I662 WeakPolarHBondContact CB-O 3.37Å; L596-K669 HydrophobicContact CD1-CD 3.72Å; L596-K669 HydrophobicContact CD1-CG 4.23Å; L596-K669 HydrophobicContact CD2-CB 4.33Å; L596-K669 HydrophobicContact CD2-CG 4.18Å
597	D	75.6	Confident	83.3	Confident	74 Å²	74	31.1 Å²	31.1	40%	0.396	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-23.1	-164.6	54.3	-17.7	0	0	0	115.6	Y595 S663 S664	Y595-D597 HydrophobicContact CE1-CB 4.22Å; D597-S663 VanDerWaalsContact OD1-C 3.3Å; D597-S663 WeakPolarHBondContact OD1-CA 3.43Å; D597-S663 WeakPolarHBondContact OD1-CB 3.46Å; D597-S664 PolarHBondContact OD1-N 3.21Å; D597-S664 WeakPolarHBondContact OD2-CB 3.35Å; D597-S664 PolarHBondContact OD2-OG 3.4Å
598	Y	76.9	Confident	83.5	Confident	87 Å²	87	26.3 Å²	26.3	34%	0.341	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.7	1.4	171.1	-73.1	-18.2	0	0	0	114	L596 Y604 I662 S663 S664	L596-Y598 PolarHBondContact O-N 3.19Å; Y598-Y604 AromaticContact CD2-CD2 3.55Å; Y598-Y604 HydrophobicContact CD2-CD2 3.55Å; Y598-Y604 AromaticContact CD2-CE2 3.37Å; Y598-Y604 HydrophobicContact CD2-CE2 3.37Å; Y598-Y604 HydrophobicContact CE2-CD2 4.12Å; Y598-Y604 AromaticContact CE2-CE2 3.47Å; Y598-Y604 HydrophobicContact CE2-CE2 3.47Å; Y598-Y604 VanDerWaalsContact CE2-CE2 3.47Å; Y598-Y604 AromaticContact CG-CD2 3.94Å; Y598-Y604 HydrophobicContact CG-CD2 3.94Å; Y598-Y604 HydrophobicContact CG-CE2 4.15Å; Y598-I662 WeakPolarHBondContact CA-O 3.32Å; Y598-I662 VanDerWaalsContact CB-O 3.3Å; Y598-I662 WeakPolarHBondContact CB-O 3.28Å; Y598-I662 PolarHBondContact N-O 3.45Å; Y598-S663 WeakPolarHBondContact CD2-O 3.5Å; Y598-S664 VanDerWaalsContact CE2-CA 3.4Å
599	G	80.4	Confident	83.6	Confident	29 Å²	29	29.4 Å²	29.4	30%	0.299	14%	0.143	S	C	.	.			trans	66.5	-137.7	179.2	0	0	0	0	0	112	L596 L661 I662	L596-G599 PolarHBondContact O-N 3.11Å; L596-G599 VanDerWaalsContact O-N 3.08Å; G599-L661 CarbonylContact O-C 3.55Å; G599-L661 VanDerWaalsContact O-CA 3.24Å; G599-L661 WeakPolarHBondContact O-CA 3.37Å; G599-I662 PolarHBondContact O-N 3.36Å
600	N	86	Confident	83.3	Confident	8 Å²	8	34.5 Å²	34.5	4%	0.043	17%	0.166	C	C	.	.	B	Isolated β-bridge	trans	-86.1	146.9	-179	72.7	73.6	0	0	0	112.9	K602 H603 Y604 R658 V660 L661	N600-K602 VanDerWaalsContact C-N 3.28Å; N600-K602 PolarHBondContact O-N 3Å; N600-K602 WeakPolarHBondContact OD1-CB 3.33Å; N600-K602 PolarHBondContact OD1-N 3.25Å; N600-H603 PolarHBondContact ND2-ND1 2.9Å; N600-H603 PolarHBondContact O-N 3.41Å; N600-H603 PolarHBondContact OD1-N 2.62Å; N600-Y604 PolarHBondContact O-N 3.47Å; N600-Y604 VanDerWaalsContact O-N 3.15Å; N600-R658 WeakPolarHBondContact CB-O 3.31Å; N600-V660 CarbonylContact C-O 3.55Å; N600-V660 WeakPolarHBondContact CA-O 3.37Å; N600-L661 HydrophobicContact CB-CD2 4.36Å
601	L	91	Very high	82.6	Confident	0 Å²	0	38.1 Å²	38.1	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-64.1	-32	-175.2	179.1	56.8	0	0	0	112.2	Y604 L605 L626 I634 V660 I662 F719 M723	L601-Y604 HydrophobicContact CD1-CD1 4.37Å; L601-Y604 WeakPolarHBondContact O-CB 3.44Å; L601-Y604 PolarHBondContact O-N 3.11Å; L601-L605 HydrophobicContact CD1-CD1 4.32Å; L601-L605 HydrophobicContact CD1-CD2 4.47Å; L601-L605 HydrophobicContact CD1-CG 4.05Å; L601-L605 HydrophobicContact CG-CD1 4.05Å; L601-L605 HydrophobicContact CG-CG 4.29Å; L601-L605 WeakPolarHBondContact O-CB 3.39Å; L601-L605 WeakPolarHBondContact O-CG 3.23Å; L601-L605 PolarHBondContact O-N 3.19Å; L601-L626 HydrophobicContact CD1-CD1 4.17Å; L601-I634 HydrophobicContact CD1-CD1 4.48Å; L601-I634 HydrophobicContact CD2-CG2 3.78Å; L601-V660 HydrophobicContact CB-CB 4.14Å; L601-V660 HydrophobicContact CB-CG1 4.27Å; L601-V660 WeakPolarHBondContact CB-O 3.47Å; L601-V660 HydrophobicContact CD2-CB 4.29Å; L601-V660 HydrophobicContact CD2-CG1 4Å; L601-V660 PolarHBondContact N-O 3.13Å; L601-I662 HydrophobicContact CB-CG2 4.34Å; L601-I662 HydrophobicContact CD1-CD1 3.88Å; L601-I662 HydrophobicContact CD1-CG2 4.37Å; L601-F719 HydrophobicContact CD2-CE2 3.7Å; L601-F719 HydrophobicContact CD2-CZ 3.88Å; L601-M723 HydrophobicContact CD2-CG 4.49Å
602	K	87.1	Confident	81.8	Confident	1 Å²	1	47.1 Å²	47.1	0%	0.004	21%	0.214	C	C	.	.	H	α-helix	trans	-60.9	-48.5	175.8	-174.3	162.7	-163.1	145.8	0	112.5	N600 Y604 L605 Q606 A657 R658 F680 E683 E722	N600-K602 VanDerWaalsContact C-N 3.28Å; N600-K602 PolarHBondContact O-N 3Å; N600-K602 WeakPolarHBondContact OD1-CB 3.33Å; N600-K602 PolarHBondContact OD1-N 3.25Å; K602-Y604 VanDerWaalsContact C-N 3.34Å; K602-L605 PolarHBondContact O-N 2.76Å; K602-Q606 WeakPolarHBondContact O-CG 3.24Å; K602-Q606 PolarHBondContact O-N 3.47Å; K602-A657 HydrophobicContact CB-CB 4.05Å; K602-A657 PolarHBondContact N-O 3.04Å; K602-R658 HydrophobicContact CB-CB 4.35Å; K602-R658 HydrophobicContact CD-CB 4.21Å; K602-F680 HydrophobicContact CB-CE1 4.45Å; K602-F680 HydrophobicContact CB-CZ 4.38Å; K602-F680 HydrophobicContact CD-CD1 4.2Å; K602-F680 HydrophobicContact CD-CE1 3.74Å; K602-F680 HydrophobicContact CD-CZ 4.4Å; K602-F680 HydrophobicContact CG-CE1 4.16Å; K602-E683 WeakPolarHBondContact CD-OE1 3.49Å; K602-E683 WeakPolarHBondContact CE-OE1 3.2Å; K602-E683 IonicContact NZ-OE1 2.7Å; K602-E683 PolarHBondContact NZ-OE1 3.44Å; K602-E683 IonicContact NZ-OE2 2.93Å; K602-E683 PolarHBondContact NZ-OE2 2.88Å; K602-E722 IonicContact NZ-OE1 3.36Å; K602-E722 PolarHBondContact NZ-OE1 2.87Å
603	H	79.2	Confident	80.7	Confident	63 Å²	63	52.2 Å²	52.2	29%	0.292	25%	0.249	S	C	.	.	H	α-helix	trans	-63.6	-40.7	175.5	-76.8	154.2	0	0	0	112.1	N600 L605 Q606 A607 Q679 F680	N600-H603 PolarHBondContact ND2-ND1 2.9Å; N600-H603 PolarHBondContact O-N 3.41Å; N600-H603 PolarHBondContact OD1-N 2.62Å; H603-L605 VanDerWaalsContact C-N 3.34Å; H603-L605 PolarHBondContact O-N 3.15Å; H603-Q606 PolarHBondContact O-N 3.37Å; H603-A607 WeakPolarHBondContact O-CB 3.3Å; H603-A607 PolarHBondContact O-N 3.31Å; H603-Q679 PolarHBondContact CE1-OE1 3.33Å; H603-Q679 VanDerWaalsContact CE1-OE1 3.29Å; H603-F680 AromaticContact CD2-CZ 3.98Å; H603-F680 AromaticContact CE1-CZ 3.62Å; H603-F680 AromaticContact NE2-CE1 3.78Å; H603-F680 AromaticContact NE2-CZ 3.53Å
604	Y	83.4	Confident	79.4	Confident	5 Å²	5	54.2 Å²	54.2	2%	0.02	26%	0.263	C	S	.	.	H	α-helix	trans	-53.6	-53.3	173.6	-179.8	-79.5	0	0	0	110.7	Y598 N600 L601 K602 Q606 A607 S608 P623 P624 L626 I662	Y598-Y604 AromaticContact CD2-CD2 3.55Å; Y598-Y604 HydrophobicContact CD2-CD2 3.55Å; Y598-Y604 AromaticContact CD2-CE2 3.37Å; Y598-Y604 HydrophobicContact CD2-CE2 3.37Å; Y598-Y604 HydrophobicContact CE2-CD2 4.12Å; Y598-Y604 AromaticContact CE2-CE2 3.47Å; Y598-Y604 HydrophobicContact CE2-CE2 3.47Å; Y598-Y604 VanDerWaalsContact CE2-CE2 3.47Å; Y598-Y604 AromaticContact CG-CD2 3.94Å; Y598-Y604 HydrophobicContact CG-CD2 3.94Å; Y598-Y604 HydrophobicContact CG-CE2 4.15Å; N600-Y604 PolarHBondContact O-N 3.47Å; N600-Y604 VanDerWaalsContact O-N 3.15Å; L601-Y604 HydrophobicContact CD1-CD1 4.37Å; L601-Y604 WeakPolarHBondContact O-CB 3.44Å; L601-Y604 PolarHBondContact O-N 3.11Å; K602-Y604 VanDerWaalsContact C-N 3.34Å; Y604-Q606 PolarHBondContact O-N 2.95Å; Y604-A607 PolarHBondContact O-N 2.7Å; Y604-S608 WeakPolarHBondContact CE1-OG 3.47Å; Y604-S608 WeakPolarHBondContact O-CB 3.4Å; Y604-S608 PolarHBondContact O-N 2.84Å; Y604-S608 PolarHBondContact O-OG 3.36Å; Y604-S608 VanDerWaalsContact O-OG 3.06Å; Y604-P623 HydrophobicContact CD2-CB 3.94Å; Y604-P623 HydrophobicContact CD2-CG 4.01Å; Y604-P623 HydrophobicContact CE2-CB 3.42Å; Y604-P623 VanDerWaalsContact CE2-CB 3.42Å; Y604-P623 HydrophobicContact CE2-CG 3.99Å; Y604-P623 HydrophobicContact CG-CG 4.5Å; Y604-P624 PolarHBondContact OH-O 2.65Å; Y604-L626 HydrophobicContact CD1-CD2 4.3Å; Y604-L626 HydrophobicContact CD1-CG 4.32Å; Y604-L626 HydrophobicContact CE1-CD1 4.46Å; Y604-L626 HydrophobicContact CE1-CD2 3.49Å; Y604-L626 VanDerWaalsContact CE1-CD2 3.49Å; Y604-L626 HydrophobicContact CE1-CG 3.7Å; Y604-I662 HydrophobicContact CD2-CG2 4.38Å; Y604-I662 HydrophobicContact CG-CG2 4.34Å
605	L	87.3	Confident	78.2	Confident	1 Å²	1	59.7 Å²	59.7	1%	0.005	29%	0.293	C	S	.	.	H	α-helix	trans	-60.7	-44.2	-178.8	-70.1	169.3	0	0	0	112.4	L601 K602 H603 S608 L626 M723 M726	L601-L605 HydrophobicContact CD1-CD1 4.32Å; L601-L605 HydrophobicContact CD1-CD2 4.47Å; L601-L605 HydrophobicContact CD1-CG 4.05Å; L601-L605 HydrophobicContact CG-CD1 4.05Å; L601-L605 HydrophobicContact CG-CG 4.29Å; L601-L605 WeakPolarHBondContact O-CB 3.39Å; L601-L605 WeakPolarHBondContact O-CG 3.23Å; L601-L605 PolarHBondContact O-N 3.19Å; K602-L605 PolarHBondContact O-N 2.76Å; H603-L605 VanDerWaalsContact C-N 3.34Å; H603-L605 PolarHBondContact O-N 3.15Å; L605-S608 PolarHBondContact O-N 3.14Å; L605-L626 HydrophobicContact CD2-CD1 3.83Å; L605-L626 HydrophobicContact CD2-CG 4.44Å; L605-M723 HydrophobicContact CD1-CG 4.42Å; L605-M726 CarbonylContact C-O 3.51Å; L605-M726 HydrophobicContact CD2-SD 4.29Å; L605-M726 WeakPolarHBondContact O-CE 3.35Å
606	Q	83.6	Confident	76.6	Confident	67 Å²	67	62.1 Å²	62.1	31%	0.313	32%	0.318	S	S	.	.	H	α-helix	trans	-67.2	-41.9	178.4	-71.3	175.8	-13	0	0	111.9	K602 H603 Y604 S608 R609 G727	K602-Q606 WeakPolarHBondContact O-CG 3.24Å; K602-Q606 PolarHBondContact O-N 3.47Å; H603-Q606 PolarHBondContact O-N 3.37Å; Y604-Q606 PolarHBondContact O-N 2.95Å; Q606-S608 VanDerWaalsContact C-N 3.31Å; Q606-S608 PolarHBondContact O-N 2.8Å; Q606-R609 VanDerWaalsContact O-CB 3.3Å; Q606-R609 WeakPolarHBondContact O-CB 3.21Å; Q606-R609 WeakPolarHBondContact O-CG 3.14Å; Q606-R609 PolarHBondContact O-N 3.39Å; Q606-G727 PolarHBondContact NE2-O 2.88Å
607	A	74	Confident	75.6	Confident	28 Å²	28	65.4 Å²	65.4	23%	0.231	36%	0.356	C	S	.	.	H	α-helix	trans	-63	-38.2	176.7	0	0	0	0	0	111.6	H603 Y604 R609 H610 Y622 P623	H603-A607 WeakPolarHBondContact O-CB 3.3Å; H603-A607 PolarHBondContact O-N 3.31Å; Y604-A607 PolarHBondContact O-N 2.7Å; A607-R609 PolarHBondContact O-N 3.16Å; A607-R609 VanDerWaalsContact O-N 3.14Å; A607-H610 PolarHBondContact O-N 3.33Å; A607-Y622 HydrophobicContact CB-CD1 4.17Å; A607-Y622 WeakPolarHBondContact O-CD1 3.19Å; A607-P623 HydrophobicContact CB-CG 3.97Å
608	S	79.9	Confident	74.3	Confident	3 Å²	3	68.6 Å²	68.6	2%	0.021	37%	0.368	C	S	.	.	H	α-helix	trans	-63.4	-16.5	177.4	-66.8	0	0	0	0	114.8	Y604 L605 Q606 H610 Y611 P623 P624 M726	Y604-S608 WeakPolarHBondContact CE1-OG 3.47Å; Y604-S608 WeakPolarHBondContact O-CB 3.4Å; Y604-S608 PolarHBondContact O-N 2.84Å; Y604-S608 PolarHBondContact O-OG 3.36Å; Y604-S608 VanDerWaalsContact O-OG 3.06Å; L605-S608 PolarHBondContact O-N 3.14Å; Q606-S608 VanDerWaalsContact C-N 3.31Å; Q606-S608 PolarHBondContact O-N 2.8Å; S608-H610 PolarHBondContact O-N 2.94Å; S608-Y611 VanDerWaalsContact O-CB 3.3Å; S608-Y611 WeakPolarHBondContact O-CB 3.3Å; S608-Y611 PolarHBondContact O-N 2.62Å; S608-P623 VanDerWaalsContact CA-O 3.26Å; S608-P623 WeakPolarHBondContact CA-O 3.46Å; S608-P623 WeakPolarHBondContact CB-O 3.29Å; S608-P623 PolarHBondContact OG-O 3.26Å; S608-P624 PolarHBondContact OG-O 3.2Å; S608-P624 VanDerWaalsContact OG-O 3.07Å; S608-M726 VanDerWaalsContact CB-CE 3.41Å
609	R	79.4	Confident	73.2	Confident	115 Å²	115	73.4 Å²	73.4	43%	0.434	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-23.9	172	-59.7	175.3	-176.1	-158.3	-3.8	112.8	Q606 A607 T725 M726 E728	Q606-R609 VanDerWaalsContact O-CB 3.3Å; Q606-R609 WeakPolarHBondContact O-CB 3.21Å; Q606-R609 WeakPolarHBondContact O-CG 3.14Å; Q606-R609 PolarHBondContact O-N 3.39Å; A607-R609 PolarHBondContact O-N 3.16Å; A607-R609 VanDerWaalsContact O-N 3.14Å; R609-T725 PolarHBondContact NH2-O 2.58Å; R609-T725 VanDerWaalsContact NH2-O 3.12Å; R609-M726 HydrophobicContact CG-CB 3.96Å; R609-M726 VanDerWaalsContact CZ-O 3.25Å; R609-M726 PolarHBondContact NE-O 2.87Å; R609-M726 PolarHBondContact NH2-O 3.43Å; R609-E728 VanDerWaalsContact NH2-N 3.13Å
610	H	76.1	Confident	72.3	Confident	116 Å²	116	73.8 Å²	73.8	54%	0.537	39%	0.392	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.6	4.6	-179.5	-58	-62.7	0	0	0	112.9	A607 S608 R612 Y622	A607-H610 PolarHBondContact O-N 3.33Å; S608-H610 PolarHBondContact O-N 2.94Å; H610-R612 PolarHBondContact O-N 2.93Å; H610-Y622 HydrophobicContact CB-CD1 3.94Å; H610-Y622 HydrophobicContact CB-CD2 3.79Å; H610-Y622 HydrophobicContact CB-CE1 3.98Å; H610-Y622 HydrophobicContact CB-CE2 3.84Å; H610-Y622 HydrophobicContact CB-CG 3.85Å
611	Y	71.9	Confident	71.3	Confident	84 Å²	84	79.1 Å²	79.1	33%	0.329	43%	0.43	S	S	.	.			trans	-61	125.4	176.1	-176.5	-102.7	0	0	0	111	S608 S620 Y622 P624	S608-Y611 VanDerWaalsContact O-CB 3.3Å; S608-Y611 WeakPolarHBondContact O-CB 3.3Å; S608-Y611 PolarHBondContact O-N 2.62Å; Y611-S620 WeakPolarHBondContact CD2-OG 3.26Å; Y611-Y622 VanDerWaalsContact CD2-O 3.28Å; Y611-Y622 WeakPolarHBondContact CD2-O 3.19Å; Y611-P624 VanDerWaalsContact CD2-CA 3.49Å; Y611-P624 HydrophobicContact CD2-CB 4.12Å; Y611-P624 HydrophobicContact CE1-CB 4.23Å; Y611-P624 HydrophobicContact CE2-CB 3.82Å; Y611-P624 HydrophobicContact CG-CB 4.45Å
612	R	73.3	Confident	70.2	Confident	190 Å²	190	84.4 Å²	84.4	72%	0.717	45%	0.45	S	S	*	.			trans	-117.8	124.3	170	-65.9	-175.7	179.1	-176.6	0.1	107.3	H610 S614	H610-R612 PolarHBondContact O-N 2.93Å; R612-S614 PolarHBondContact O-N 3.09Å
613	S	67.6	Low	69.4	Low	107 Å²	107	85.6 Å²	85.6	75%	0.748	46%	0.458	S	S	*	.			trans	-59.3	110.6	171.6	-173.7	0	0	0	0	108.3
614	S	62.4	Low	69.6	Low	43 Å²	43	84.5 Å²	84.5	30%	0.301	46%	0.456	S	S	.	.	P	Polyproline II helix	trans	-75.6	151.8	-179.3	34.7	0	0	0	0	111.4	R612 Q618	R612-S614 PolarHBondContact O-N 3.09Å; S614-Q618 WeakPolarHBondContact CB-O 3.27Å; S614-Q618 PolarHBondContact OG-O 3.39Å
615	L	60.9	Low	69.8	Low	136 Å²	136	87.1 Å²	87.1	71%	0.712	47%	0.474	S	S	*	.	P	Polyproline II helix	trans	-61.8	156.5	169.5	-76.7	156.4	0	0	0	110.1	G617 Q618	L615-G617 PolarHBondContact O-N 3.11Å; L615-G617 VanDerWaalsContact O-N 3.11Å; L615-Q618 PolarHBondContact O-N 3.47Å; L615-Q618 VanDerWaalsContact O-N 3.09Å
616	P	49.8	Very low	70	Confident	133 Å²	133	87.8 Å²	87.8	86%	0.864	48%	0.478	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.4	121.1	178	-22.1	31.1	0	0	0	110.9
617	G	61.8	Low	70.4	Confident	84 Å²	84	86.9 Å²	86.9	87%	0.866	48%	0.479	S	S	*	.	T	Hydrogen-bonded Turn	trans	101.2	-7.4	179.6	0	0	0	0	0	116.4	L615	L615-G617 PolarHBondContact O-N 3.11Å; L615-G617 VanDerWaalsContact O-N 3.11Å
618	Q	48.9	Very low	71.2	Confident	140 Å²	140	89.4 Å²	89.4	65%	0.654	49%	0.493	S	S	*	.			trans	-105.5	133.1	170	-75.6	-176.8	-2.2	0	0	110.8	S614 L615	S614-Q618 WeakPolarHBondContact CB-O 3.27Å; S614-Q618 PolarHBondContact OG-O 3.39Å; L615-Q618 PolarHBondContact O-N 3.47Å; L615-Q618 VanDerWaalsContact O-N 3.09Å
619	H	54.3	Low	71.7	Confident	188 Å²	188	91.8 Å²	91.8	87%	0.87	51%	0.513	S	S	*	.			trans	-89.9	128.9	170.4	-76	-75	0	0	0	110.1
620	S	60.8	Low	72.5	Confident	38 Å²	38	88.4 Å²	88.4	27%	0.266	50%	0.502	S	S	.	.			trans	-64.8	132.3	170.1	167.9	0	0	0	0	110.2	Y611 Y622	Y611-S620 WeakPolarHBondContact CD2-OG 3.26Å; S620-Y622 PolarHBondContact O-N 2.58Å; S620-Y622 PolarHBondContact OG-N 2.74Å; S620-Y622 VanDerWaalsContact OG-N 3.17Å; S620-Y622 PolarHBondContact OG-O 2.92Å
621	S	65.5	Low	73.3	Confident	120 Å²	120	84.2 Å²	84.2	84%	0.839	48%	0.483	S	S	*	.	S	Bend	trans	-71.6	-16.1	173.3	-51.6	0	0	0	0	113.7
622	Y	67.1	Low	74.4	Confident	111 Å²	111	84 Å²	84	44%	0.435	48%	0.482	S	S	.	.	S	Bend	trans	-103.6	148.1	177.7	-66	-78.8	0	0	0	111	A607 H610 Y611 S620	A607-Y622 HydrophobicContact CB-CD1 4.17Å; A607-Y622 WeakPolarHBondContact O-CD1 3.19Å; H610-Y622 HydrophobicContact CB-CD1 3.94Å; H610-Y622 HydrophobicContact CB-CD2 3.79Å; H610-Y622 HydrophobicContact CB-CE1 3.98Å; H610-Y622 HydrophobicContact CB-CE2 3.84Å; H610-Y622 HydrophobicContact CB-CG 3.85Å; Y611-Y622 VanDerWaalsContact CD2-O 3.28Å; Y611-Y622 WeakPolarHBondContact CD2-O 3.19Å; S620-Y622 PolarHBondContact O-N 2.58Å; S620-Y622 PolarHBondContact OG-N 2.74Å; S620-Y622 VanDerWaalsContact OG-N 3.17Å; S620-Y622 PolarHBondContact OG-O 2.92Å
623	P	70.7	Confident	75.4	Confident	25 Å²	25	77.4 Å²	77.4	16%	0.162	46%	0.464	C	S	.	.	P	Polyproline II helix	trans	-72.6	147.5	177.4	28.9	-33.2	0	0	0	111.9	Y604 A607 S608	Y604-P623 HydrophobicContact CD2-CB 3.94Å; Y604-P623 HydrophobicContact CD2-CG 4.01Å; Y604-P623 HydrophobicContact CE2-CB 3.42Å; Y604-P623 VanDerWaalsContact CE2-CB 3.42Å; Y604-P623 HydrophobicContact CE2-CG 3.99Å; Y604-P623 HydrophobicContact CG-CG 4.5Å; A607-P623 HydrophobicContact CB-CG 3.97Å; S608-P623 VanDerWaalsContact CA-O 3.26Å; S608-P623 WeakPolarHBondContact CA-O 3.46Å; S608-P623 WeakPolarHBondContact CB-O 3.29Å; S608-P623 PolarHBondContact OG-O 3.26Å
624	P	82.3	Confident	76.8	Confident	40 Å²	40	72.3 Å²	72.3	26%	0.26	43%	0.428	S	S	.	.	P	Polyproline II helix	trans	-66.1	149.7	179.2	28.5	-34.8	0	0	0	112.3	Y604 S608 Y611	Y604-P624 PolarHBondContact OH-O 2.65Å; S608-P624 PolarHBondContact OG-O 3.2Å; S608-P624 VanDerWaalsContact OG-O 3.07Å; Y611-P624 VanDerWaalsContact CD2-CA 3.49Å; Y611-P624 HydrophobicContact CD2-CB 4.12Å; Y611-P624 HydrophobicContact CE1-CB 4.23Å; Y611-P624 HydrophobicContact CE2-CB 3.82Å; Y611-P624 HydrophobicContact CG-CB 4.45Å
625	P	88.1	Confident	78.5	Confident	61 Å²	61	70.2 Å²	70.2	40%	0.396	41%	0.414	S	S	.	.	P	Polyproline II helix	trans	-55.5	143.6	169	-23.2	33.5	0	0	0	111.5	S627 M726	P625-S627 PolarHBondContact O-N 2.85Å; P625-M726 HydrophobicContact CB-CE 3.89Å; P625-M726 HydrophobicContact CG-CE 4.27Å
626	L	92	Very high	80.2	Confident	15 Å²	15	64.8 Å²	64.8	8%	0.079	39%	0.385	C	S	.	.	P	Polyproline II helix	trans	-65.2	133.8	177.4	-62.9	174.6	0	0	0	110.5	L601 Y604 L605 Q630 M631 I634 Y666 M723	L601-L626 HydrophobicContact CD1-CD1 4.17Å; Y604-L626 HydrophobicContact CD1-CD2 4.3Å; Y604-L626 HydrophobicContact CD1-CG 4.32Å; Y604-L626 HydrophobicContact CE1-CD1 4.46Å; Y604-L626 HydrophobicContact CE1-CD2 3.49Å; Y604-L626 VanDerWaalsContact CE1-CD2 3.49Å; Y604-L626 HydrophobicContact CE1-CG 3.7Å; L605-L626 HydrophobicContact CD2-CD1 3.83Å; L605-L626 HydrophobicContact CD2-CG 4.44Å; L626-Q630 HydrophobicContact CB-CB 4.35Å; L626-Q630 HydrophobicContact CD2-CB 4.22Å; L626-M631 HydrophobicContact CB-CG 3.68Å; L626-M631 HydrophobicContact CD1-CG 4.2Å; L626-I634 HydrophobicContact CD1-CD1 3.65Å; L626-I634 HydrophobicContact CD2-CD1 4.03Å; L626-I634 HydrophobicContact CG-CD1 4.49Å; L626-Y666 HydrophobicContact CD2-CD1 3.69Å; L626-Y666 HydrophobicContact CD2-CE1 3.71Å; L626-M723 HydrophobicContact CD1-CE 4.27Å
627	S	92.3	Very high	82.5	Confident	47 Å²	47	59.4 Å²	59.4	33%	0.329	35%	0.349	S	S	.	.	P	Polyproline II helix	trans	-69.6	157.7	169.1	75.3	0	0	0	0	110.8	P625 A629 Q630 M631	P625-S627 PolarHBondContact O-N 2.85Å; S627-A629 PolarHBondContact O-N 3.21Å; S627-A629 VanDerWaalsContact O-N 3.13Å; S627-Q630 PolarHBondContact O-N 3.03Å; S627-Q630 WeakPolarHBondContact OG-CG 3.33Å; S627-Q630 PolarHBondContact OG-N 2.73Å; S627-Q630 PolarHBondContact OG-OE1 3.01Å; S627-M631 WeakPolarHBondContact O-CG 3.45Å; S627-M631 PolarHBondContact O-N 3.09Å
628	P	90.6	Very high	84.2	Confident	82 Å²	82	55.4 Å²	55.4	53%	0.532	31%	0.308	S	S	.	.	H	α-helix	trans	-55	-32.6	175	-27.9	35.7	0	0	0	113.8	R632	P628-R632 WeakPolarHBondContact O-CG 3.43Å; P628-R632 PolarHBondContact O-N 2.86Å; P628-R632 VanDerWaalsContact O-N 3.11Å; P628-R632 PolarHBondContact O-NH1 3.13Å
629	A	91.1	Very high	86.5	Confident	53 Å²	53	48.7 Å²	48.7	44%	0.438	28%	0.276	S	S	.	.	H	α-helix	trans	-70.4	-42.2	176.5	0	0	0	0	0	112	S627 R632 S633	S627-A629 PolarHBondContact O-N 3.21Å; S627-A629 VanDerWaalsContact O-N 3.13Å; A629-R632 PolarHBondContact O-N 3.14Å; A629-S633 PolarHBondContact O-N 3.15Å
630	Q	94.8	Very high	88.6	Confident	44 Å²	44	42.2 Å²	42.2	21%	0.206	25%	0.246	C	C	.	.	H	α-helix	trans	-64.9	-41.4	174.6	-72.4	163.4	-24.7	0	0	111.4	L626 S627 R632 S633 I634 Y666	L626-Q630 HydrophobicContact CB-CB 4.35Å; L626-Q630 HydrophobicContact CD2-CB 4.22Å; S627-Q630 PolarHBondContact O-N 3.03Å; S627-Q630 WeakPolarHBondContact OG-CG 3.33Å; S627-Q630 PolarHBondContact OG-N 2.73Å; S627-Q630 PolarHBondContact OG-OE1 3.01Å; Q630-R632 VanDerWaalsContact C-N 3.34Å; Q630-R632 PolarHBondContact O-N 2.94Å; Q630-S633 PolarHBondContact O-N 2.87Å; Q630-I634 WeakPolarHBondContact O-CB 3.34Å; Q630-I634 WeakPolarHBondContact O-CG1 3.5Å; Q630-I634 PolarHBondContact O-N 2.85Å; Q630-Y666 HydrophobicContact CG-CD1 4.31Å; Q630-Y666 HydrophobicContact CG-CD2 4.35Å; Q630-Y666 HydrophobicContact CG-CG 4.2Å; Q630-Y666 PolarHBondContact NE2-OH 3Å
631	M	94.4	Very high	90.2	Very high	27 Å²	27	40.4 Å²	40.4	13%	0.133	23%	0.234	C	C	.	.	H	α-helix	trans	-58.8	-44.4	175.1	-69.2	-179.1	63	0	0	112	L626 S627 I634 A635 M723 C724 W760	L626-M631 HydrophobicContact CB-CG 3.68Å; L626-M631 HydrophobicContact CD1-CG 4.2Å; S627-M631 WeakPolarHBondContact O-CG 3.45Å; S627-M631 PolarHBondContact O-N 3.09Å; M631-I634 PolarHBondContact O-N 2.96Å; M631-A635 WeakPolarHBondContact O-CB 3.3Å; M631-A635 PolarHBondContact O-N 3.37Å; M631-M723 HydrophobicContact CB-CE 3.82Å; M631-M723 HydrophobicContact CE-CB 3.84Å; M631-M723 HydrophobicContact CG-CE 4Å; M631-M723 WeakPolarHBondContact O-CE 3.47Å; M631-C724 HydrophobicContact CE-CB 4.48Å; M631-C724 VanDerWaalsContact CE-SG 3.58Å; M631-W760 HydrophobicContact CB-CH2 4.03Å; M631-W760 HydrophobicContact CB-CZ2 4.2Å; M631-W760 HydrophobicContact CE-CH2 4.28Å; M631-W760 HydrophobicContact CE-CZ3 4.1Å
632	R	93.1	Very high	91.6	Very high	81 Å²	81	34.8 Å²	34.8	31%	0.306	19%	0.194	S	C	.	.	H	α-helix	trans	-63.3	-44.1	174.7	-74.3	-170.2	-58.3	-88.3	5.9	112.7	P628 A629 Q630 I634 A635 L636 W760	P628-R632 WeakPolarHBondContact O-CG 3.43Å; P628-R632 PolarHBondContact O-N 2.86Å; P628-R632 VanDerWaalsContact O-N 3.11Å; P628-R632 PolarHBondContact O-NH1 3.13Å; A629-R632 PolarHBondContact O-N 3.14Å; Q630-R632 VanDerWaalsContact C-N 3.34Å; Q630-R632 PolarHBondContact O-N 2.94Å; R632-I634 VanDerWaalsContact C-N 3.33Å; R632-I634 PolarHBondContact O-N 2.92Å; R632-A635 PolarHBondContact O-N 2.83Å; R632-L636 PolarHBondContact O-N 2.67Å; R632-W760 HydrophobicContact CG-CZ2 4Å
633	S	95.3	Very high	93	Very high	50 Å²	50	30.7 Å²	30.7	35%	0.35	18%	0.18	S	C	.	.	H	α-helix	trans	-60.8	-42.4	177.8	177.5	0	0	0	0	112	A629 Q630 L636 Q637	A629-S633 PolarHBondContact O-N 3.15Å; Q630-S633 PolarHBondContact O-N 2.87Å; S633-L636 PolarHBondContact O-N 3.25Å; S633-Q637 WeakPolarHBondContact O-CB 3.45Å; S633-Q637 VanDerWaalsContact O-CG 3.3Å; S633-Q637 WeakPolarHBondContact O-CG 3.42Å; S633-Q637 PolarHBondContact O-N 2.94Å; S633-Q637 PolarHBondContact O-NE2 2.87Å; S633-Q637 PolarHBondContact OG-NE2 3.35Å; S633-Q637 VanDerWaalsContact OG-NE2 3.13Å
634	I	97.2	Very high	94	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-64.7	-45.1	176.3	-71.5	165.7	0	0	0	110.6	L601 L626 Q630 M631 R632 L636 Q637 T638 I662 V668 F719 M723	L601-I634 HydrophobicContact CD1-CD1 4.48Å; L601-I634 HydrophobicContact CD2-CG2 3.78Å; L626-I634 HydrophobicContact CD1-CD1 3.65Å; L626-I634 HydrophobicContact CD2-CD1 4.03Å; L626-I634 HydrophobicContact CG-CD1 4.49Å; Q630-I634 WeakPolarHBondContact O-CB 3.34Å; Q630-I634 WeakPolarHBondContact O-CG1 3.5Å; Q630-I634 PolarHBondContact O-N 2.85Å; M631-I634 PolarHBondContact O-N 2.96Å; R632-I634 VanDerWaalsContact C-N 3.33Å; R632-I634 PolarHBondContact O-N 2.92Å; I634-L636 VanDerWaalsContact C-N 3.34Å; I634-L636 PolarHBondContact O-N 3Å; I634-Q637 PolarHBondContact O-N 3.39Å; I634-T638 WeakPolarHBondContact O-CG2 3.32Å; I634-T638 PolarHBondContact O-N 3.47Å; I634-T638 PolarHBondContact O-OG1 3.46Å; I634-T638 VanDerWaalsContact O-OG1 3.04Å; I634-I662 HydrophobicContact CD1-CD1 3.75Å; I634-V668 HydrophobicContact CB-CG1 4.43Å; I634-V668 HydrophobicContact CD1-CG1 4.43Å; I634-V668 HydrophobicContact CG1-CG1 3.82Å; I634-V668 HydrophobicContact CG2-CG1 4.07Å; I634-V668 HydrophobicContact CG2-CG2 4.39Å; I634-F719 HydrophobicContact CG2-CZ 4.15Å; I634-M723 HydrophobicContact CB-CE 3.86Å; I634-M723 HydrophobicContact CD1-CE 4.42Å; I634-M723 HydrophobicContact CG2-CE 3.67Å; I634-M723 HydrophobicContact CG2-SD 4Å
635	A	96.9	Very high	94.4	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-59.2	-44.1	176.9	0	0	0	0	0	111.9	M631 R632 T638 S639 L720 W760 F785	M631-A635 WeakPolarHBondContact O-CB 3.3Å; M631-A635 PolarHBondContact O-N 3.37Å; R632-A635 PolarHBondContact O-N 2.83Å; A635-T638 PolarHBondContact O-N 2.96Å; A635-T638 PolarHBondContact O-OG1 2.82Å; A635-S639 WeakPolarHBondContact O-CB 3.31Å; A635-S639 PolarHBondContact O-N 3.32Å; A635-S639 PolarHBondContact O-OG 2.92Å; A635-L720 HydrophobicContact CB-CD2 3.82Å; A635-W760 HydrophobicContact CB-CH2 3.87Å; A635-W760 HydrophobicContact CB-CZ2 4.19Å; A635-F785 HydrophobicContact CB-CD1 4.2Å; A635-F785 HydrophobicContact CB-CD2 4.33Å; A635-F785 HydrophobicContact CB-CE1 3.79Å; A635-F785 HydrophobicContact CB-CE2 3.95Å; A635-F785 HydrophobicContact CB-CG 4.47Å; A635-F785 HydrophobicContact CB-CZ 3.66Å
636	L	97.3	Very high	94.4	Very high	21 Å²	21	27.2 Å²	27.2	11%	0.11	16%	0.156	C	C	.	.	H	α-helix	trans	-58.5	-56.1	174.1	175.7	59.8	0	0	0	111.7	R632 S633 I634 T638 S639 E640 R782 F785 L786	R632-L636 PolarHBondContact O-N 2.67Å; S633-L636 PolarHBondContact O-N 3.25Å; I634-L636 VanDerWaalsContact C-N 3.34Å; I634-L636 PolarHBondContact O-N 3Å; L636-T638 VanDerWaalsContact C-N 3.28Å; L636-T638 PolarHBondContact O-N 3.24Å; L636-S639 WeakPolarHBondContact CA-OG 3.43Å; L636-S639 WeakPolarHBondContact O-CA 3.42Å; L636-S639 PolarHBondContact O-N 3.08Å; L636-S639 PolarHBondContact O-OG 3.3Å; L636-E640 HydrophobicContact CD1-CG 4.27Å; L636-E640 WeakPolarHBondContact O-CG 3.48Å; L636-E640 PolarHBondContact O-N 3.48Å; L636-R782 HydrophobicContact CD1-CG 3.87Å; L636-F785 HydrophobicContact CB-CB 3.96Å; L636-F785 HydrophobicContact CD1-CB 3.98Å; L636-L786 HydrophobicContact CD1-CD2 3.91Å; L636-L786 HydrophobicContact CD1-CG 3.76Å; L636-L786 HydrophobicContact CD2-CD2 3.79Å; L636-L786 HydrophobicContact CD2-CG 4.48Å; L636-L786 HydrophobicContact CG-CD2 4.5Å
637	Q	98	Very high	94.1	Very high	20 Å²	20	31 Å²	31	9%	0.093	18%	0.182	C	C	.	.	H	α-helix	trans	-55.7	-41.7	180	-75.8	177.6	72.6	0	0	112.5	N575 S633 I634 E640 A641 Y666 F667 V668	N575-Q637 WeakPolarHBondContact CB-O 3.29Å; N575-Q637 WeakPolarHBondContact ND2-CB 3.43Å; N575-Q637 PolarHBondContact ND2-OE1 3.23Å; S633-Q637 WeakPolarHBondContact O-CB 3.45Å; S633-Q637 VanDerWaalsContact O-CG 3.3Å; S633-Q637 WeakPolarHBondContact O-CG 3.42Å; S633-Q637 PolarHBondContact O-N 2.94Å; S633-Q637 PolarHBondContact O-NE2 2.87Å; S633-Q637 PolarHBondContact OG-NE2 3.35Å; S633-Q637 VanDerWaalsContact OG-NE2 3.13Å; I634-Q637 PolarHBondContact O-N 3.39Å; Q637-E640 PolarHBondContact O-N 3.12Å; Q637-A641 PolarHBondContact O-N 3.45Å; Q637-A641 VanDerWaalsContact O-N 3.13Å; Q637-Y666 PolarHBondContact NE2-O 2.91Å; Q637-Y666 VanDerWaalsContact NE2-O 3.15Å; Q637-F667 VanDerWaalsContact OE1-CD2 3.26Å; Q637-V668 HydrophobicContact CB-CG2 3.42Å; Q637-V668 VanDerWaalsContact CB-CG2 3.42Å; Q637-V668 HydrophobicContact CG-CG2 4.29Å
638	T	97.8	Very high	93.7	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-69.5	-36.2	175.5	56	0	0	0	0	112.8	I634 A635 L636 E640 A641 M642 F655 V660 V668 V670 F716 F719	I634-T638 WeakPolarHBondContact O-CG2 3.32Å; I634-T638 PolarHBondContact O-N 3.47Å; I634-T638 PolarHBondContact O-OG1 3.46Å; I634-T638 VanDerWaalsContact O-OG1 3.04Å; A635-T638 PolarHBondContact O-N 2.96Å; A635-T638 PolarHBondContact O-OG1 2.82Å; L636-T638 VanDerWaalsContact C-N 3.28Å; L636-T638 PolarHBondContact O-N 3.24Å; T638-E640 VanDerWaalsContact C-N 3.35Å; T638-A641 PolarHBondContact O-N 3.01Å; T638-M642 WeakPolarHBondContact O-CB 3.46Å; T638-M642 VanDerWaalsContact O-CG 3.26Å; T638-M642 WeakPolarHBondContact O-CG 3.49Å; T638-M642 PolarHBondContact O-N 3.02Å; T638-F655 HydrophobicContact CG2-CZ 4.37Å; T638-V660 HydrophobicContact CG2-CG1 3.91Å; T638-V660 HydrophobicContact CG2-CG2 4.09Å; T638-V668 HydrophobicContact CG2-CG2 3.97Å; T638-V670 HydrophobicContact CG2-CG2 4.06Å; T638-F716 WeakPolarHBondContact OG1-CE2 3.18Å; T638-F719 HydrophobicContact CG2-CE1 4.17Å; T638-F719 HydrophobicContact CG2-CZ 3.96Å; T638-F719 WeakPolarHBondContact OG1-CE1 3.35Å
639	S	97.3	Very high	93.2	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-66.1	-35.5	174.7	67.8	0	0	0	0	112.5	A635 L636 M642 D643 R782	A635-S639 WeakPolarHBondContact O-CB 3.31Å; A635-S639 PolarHBondContact O-N 3.32Å; A635-S639 PolarHBondContact O-OG 2.92Å; L636-S639 WeakPolarHBondContact CA-OG 3.43Å; L636-S639 WeakPolarHBondContact O-CA 3.42Å; L636-S639 PolarHBondContact O-N 3.08Å; L636-S639 PolarHBondContact O-OG 3.3Å; S639-M642 PolarHBondContact O-N 2.99Å; S639-D643 WeakPolarHBondContact O-CB 3.03Å; S639-D643 PolarHBondContact O-N 3.21Å; S639-R782 WeakPolarHBondContact OG-CA 3.33Å
640	E	97.1	Very high	92.8	Very high	52 Å²	52	37.8 Å²	37.8	24%	0.243	18%	0.18	C	C	.	.	H	α-helix	trans	-65.2	-44.2	173.9	-70.6	172.7	155.4	0	0	111.6	L636 Q637 T638 M642 D643 H644 R782	L636-E640 HydrophobicContact CD1-CG 4.27Å; L636-E640 WeakPolarHBondContact O-CG 3.48Å; L636-E640 PolarHBondContact O-N 3.48Å; Q637-E640 PolarHBondContact O-N 3.12Å; T638-E640 VanDerWaalsContact C-N 3.35Å; E640-M642 PolarHBondContact O-N 3.45Å; E640-D643 PolarHBondContact O-N 2.75Å; E640-H644 WeakPolarHBondContact O-CB 3.37Å; E640-H644 PolarHBondContact O-N 3.26Å; E640-R782 HydrophobicContact CG-CG 3.82Å
641	A	95.3	Very high	92.5	Very high	0 Å²	0	37 Å²	37	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-59.9	-45.2	174.3	0	0	0	0	0	112.2	N575 M576 Q637 T638 H644 L645 V670	N575-A641 HydrophobicContact CB-CB 3.87Å; N575-A641 VanDerWaalsContact O-CB 3.29Å; N575-A641 WeakPolarHBondContact O-CB 3.47Å; M576-A641 HydrophobicContact CG-CB 4.11Å; M576-A641 HydrophobicContact SD-CB 3.86Å; Q637-A641 PolarHBondContact O-N 3.45Å; Q637-A641 VanDerWaalsContact O-N 3.13Å; T638-A641 PolarHBondContact O-N 3.01Å; A641-H644 WeakPolarHBondContact O-CB 3.47Å; A641-H644 PolarHBondContact O-N 3.19Å; A641-L645 PolarHBondContact O-N 3.28Å; A641-L645 VanDerWaalsContact O-N 3.12Å; A641-V670 HydrophobicContact CB-CB 4.16Å; A641-V670 HydrophobicContact CB-CG2 3.65Å
642	M	95.9	Very high	92.3	Very high	1 Å²	1	35.9 Å²	35.9	1%	0.005	17%	0.172	C	C	.	.	H	α-helix	trans	-72.7	-31.9	-179.9	-67	-58.8	-66.7	0	0	112.7	T638 S639 E640 H644 L645 S646 H652 F655 V670 D712 F778	T638-M642 WeakPolarHBondContact O-CB 3.46Å; T638-M642 VanDerWaalsContact O-CG 3.26Å; T638-M642 WeakPolarHBondContact O-CG 3.49Å; T638-M642 PolarHBondContact O-N 3.02Å; S639-M642 PolarHBondContact O-N 2.99Å; E640-M642 PolarHBondContact O-N 3.45Å; M642-H644 VanDerWaalsContact C-N 3.35Å; M642-L645 PolarHBondContact O-N 2.88Å; M642-L645 HydrophobicContact SD-CD1 3.92Å; M642-S646 WeakPolarHBondContact O-CB 3.49Å; M642-S646 PolarHBondContact O-N 3.03Å; M642-H652 HydrophobicContact CE-CB 3.84Å; M642-H652 HydrophobicContact SD-CB 4.46Å; M642-F655 HydrophobicContact CE-CB 4.26Å; M642-F655 HydrophobicContact CE-CD2 4.06Å; M642-F655 HydrophobicContact CE-CG 4.18Å; M642-F655 HydrophobicContact CG-CD2 4.05Å; M642-F655 HydrophobicContact CG-CE2 3.82Å; M642-F655 HydrophobicContact CG-CZ 4.28Å; M642-F655 HydrophobicContact SD-CD2 3.46Å; M642-F655 WeakPolarHBondContact SD-CD2 3.22Å; M642-F655 HydrophobicContact SD-CE2 3.78Å; M642-F655 HydrophobicContact SD-CG 4.17Å; M642-V670 HydrophobicContact SD-CG1 4.21Å; M642-D712 HydrophobicContact CE-CB 3.76Å; M642-F778 HydrophobicContact CB-CB 4.39Å; M642-F778 HydrophobicContact CB-CD1 3.39Å; M642-F778 HydrophobicContact CB-CD2 3.81Å; M642-F778 HydrophobicContact CB-CE1 3.42Å; M642-F778 VanDerWaalsContact CB-CE1 3.42Å; M642-F778 HydrophobicContact CB-CE2 3.83Å; M642-F778 HydrophobicContact CB-CG 3.59Å; M642-F778 HydrophobicContact CB-CZ 3.65Å; M642-F778 HydrophobicContact CE-CE1 4.39Å; M642-F778 HydrophobicContact CE-CE2 3.82Å; M642-F778 HydrophobicContact CE-CZ 3.6Å; M642-F778 HydrophobicContact CG-CD1 4.29Å; M642-F778 HydrophobicContact CG-CE1 3.86Å; M642-F778 HydrophobicContact CG-CZ 4.01Å
643	D	95.2	Very high	92.1	Very high	25 Å²	25	36.7 Å²	36.7	13%	0.134	18%	0.178	C	C	.	.	H	α-helix	trans	-67.5	-37.5	171.6	-166	54.3	0	0	0	111.5	S639 E640 L645 S646 C647 F778 G779 R782	S639-D643 WeakPolarHBondContact O-CB 3.03Å; S639-D643 PolarHBondContact O-N 3.21Å; E640-D643 PolarHBondContact O-N 2.75Å; D643-L645 VanDerWaalsContact C-N 3.35Å; D643-L645 PolarHBondContact O-N 3.39Å; D643-S646 WeakPolarHBondContact O-CA 3.5Å; D643-S646 VanDerWaalsContact O-CB 3.31Å; D643-S646 WeakPolarHBondContact O-CB 3.3Å; D643-S646 PolarHBondContact O-N 2.82Å; D643-C647 PolarHBondContact O-N 3.12Å; D643-C647 PolarHBondContact O-SG 3.29Å; D643-F778 HydrophobicContact CB-CB 3.79Å; D643-G779 WeakPolarHBondContact OD1-CA 3.48Å; D643-G779 PolarHBondContact OD1-N 2.6Å; D643-R782 IonicContact OD2-CZ 3.97Å; D643-R782 IonicContact OD2-NH1 3.65Å; D643-R782 PolarHBondContact OD2-NH1 2.91Å
644	H	92.8	Very high	91.9	Very high	24 Å²	24	34.9 Å²	34.9	11%	0.111	16%	0.164	C	C	.	.	H	α-helix	trans	-60.8	-41.6	173	175.9	99.7	0	0	0	112.8	D572 H573 E640 A641 M642 S646 R648	D572-H644 PolarHBondContact O-CE1 3.48Å; H573-H644 HydrophobicContact CB-CB 4.35Å; H573-H644 AromaticContact CD2-CG 3.85Å; H573-H644 AromaticContact CD2-ND1 3.58Å; H573-H644 AromaticContact CG-CG 3.94Å; H573-H644 AromaticContact CG-ND1 3.95Å; E640-H644 WeakPolarHBondContact O-CB 3.37Å; E640-H644 PolarHBondContact O-N 3.26Å; A641-H644 WeakPolarHBondContact O-CB 3.47Å; A641-H644 PolarHBondContact O-N 3.19Å; M642-H644 VanDerWaalsContact C-N 3.35Å; H644-S646 VanDerWaalsContact C-N 3.32Å; H644-R648 PolarHBondContact CE1-NH1 2.95Å; H644-R648 PolarHBondContact CE1-NH2 3.49Å; H644-R648 PolarHBondContact ND1-NH1 2.95Å; H644-R648 VanDerWaalsContact ND1-NH1 3.14Å; H644-R648 PolarHBondContact NE2-NE 3.32Å; H644-R648 PolarHBondContact NE2-NH1 3.14Å; H644-R648 VanDerWaalsContact NE2-NH1 3.13Å; H644-R648 PolarHBondContact O-NH1 3.39Å
645	L	90.2	Very high	91.8	Very high	2 Å²	2	34.9 Å²	34.9	1%	0.01	16%	0.164	C	C	.	.	H	α-helix	trans	-64.5	-39.8	170.9	-69.9	-178.7	0	0	0	111.2	C571 M576 A641 M642 D643 C647 R648 R649 F650 H652	C571-L645 HydrophobicContact CB-CD2 4.16Å; C571-L645 VanDerWaalsContact SG-CD2 3.5Å; M576-L645 HydrophobicContact CE-CD1 3.9Å; M576-L645 HydrophobicContact CE-CD2 3.71Å; M576-L645 HydrophobicContact CE-CG 3.99Å; M576-L645 HydrophobicContact SD-CD1 4.02Å; M576-L645 HydrophobicContact SD-CD2 4.32Å; M576-L645 HydrophobicContact SD-CG 4.02Å; A641-L645 PolarHBondContact O-N 3.28Å; A641-L645 VanDerWaalsContact O-N 3.12Å; M642-L645 PolarHBondContact O-N 2.88Å; M642-L645 HydrophobicContact SD-CD1 3.92Å; D643-L645 VanDerWaalsContact C-N 3.35Å; D643-L645 PolarHBondContact O-N 3.39Å; L645-C647 PolarHBondContact O-N 3.29Å; L645-R648 CarbonylContact O-C 3.54Å; L645-R648 WeakPolarHBondContact O-CA 3.43Å; L645-R648 PolarHBondContact O-N 3.49Å; L645-R649 PolarHBondContact O-N 3.34Å; L645-F650 HydrophobicContact CB-CB 4.4Å; L645-F650 HydrophobicContact CB-CD1 4.35Å; L645-F650 HydrophobicContact CD1-CD1 4.08Å; L645-F650 HydrophobicContact CD1-CE1 4.47Å; L645-F650 HydrophobicContact CD2-CB 4.36Å; L645-F650 HydrophobicContact CD2-CD1 3.75Å; L645-F650 HydrophobicContact CD2-CE1 4.41Å; L645-F650 HydrophobicContact CD2-CG 4.28Å; L645-F650 HydrophobicContact CG-CD1 4.28Å; L645-F650 PolarHBondContact O-N 3.37Å; L645-F650 VanDerWaalsContact O-N 3.08Å; L645-H652 HydrophobicContact CD1-CB 4.47Å
646	S	87.5	Confident	91.7	Very high	28 Å²	28	34.9 Å²	34.9	20%	0.196	16%	0.164	C	C	.	.	H	α-helix	trans	-59.8	-47.6	179.3	-179.7	0	0	0	0	112.6	M642 D643 H644 R648 R649 M709	M642-S646 WeakPolarHBondContact O-CB 3.49Å; M642-S646 PolarHBondContact O-N 3.03Å; D643-S646 WeakPolarHBondContact O-CA 3.5Å; D643-S646 VanDerWaalsContact O-CB 3.31Å; D643-S646 WeakPolarHBondContact O-CB 3.3Å; D643-S646 PolarHBondContact O-N 2.82Å; H644-S646 VanDerWaalsContact C-N 3.32Å; S646-R648 PolarHBondContact O-N 3.07Å; S646-R648 VanDerWaalsContact O-N 3.1Å; S646-R649 PolarHBondContact O-N 2.72Å; S646-M709 WeakPolarHBondContact CA-SD 3.46Å; S646-M709 WeakPolarHBondContact O-CE 3.43Å
647	C	86.7	Confident	91.6	Very high	94 Å²	94	33.9 Å²	33.9	64%	0.635	16%	0.159	S	C	*	.	H	α-helix	trans	-59.7	-22.7	174.8	-72.2	0	0	0	0	113.5	D643 L645	D643-C647 PolarHBondContact O-N 3.12Å; D643-C647 PolarHBondContact O-SG 3.29Å; L645-C647 PolarHBondContact O-N 3.29Å
648	R	82.9	Confident	91.2	Very high	118 Å²	118	33 Å²	33	45%	0.445	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.3	6.7	176.1	-74.5	168.4	174.4	66.5	0.3	113.7	R570 H644 L645 S646 F650	R570-R648 PolarHBondContact O-NE 3.25Å; H644-R648 PolarHBondContact CE1-NH1 2.95Å; H644-R648 PolarHBondContact CE1-NH2 3.49Å; H644-R648 PolarHBondContact ND1-NH1 2.95Å; H644-R648 VanDerWaalsContact ND1-NH1 3.14Å; H644-R648 PolarHBondContact NE2-NE 3.32Å; H644-R648 PolarHBondContact NE2-NH1 3.14Å; H644-R648 VanDerWaalsContact NE2-NH1 3.13Å; H644-R648 PolarHBondContact O-NH1 3.39Å; L645-R648 CarbonylContact O-C 3.54Å; L645-R648 WeakPolarHBondContact O-CA 3.43Å; L645-R648 PolarHBondContact O-N 3.49Å; S646-R648 PolarHBondContact O-N 3.07Å; S646-R648 VanDerWaalsContact O-N 3.1Å; R648-F650 PolarHBondContact O-N 3.28Å
649	R	79.8	Confident	90.9	Very high	178 Å²	178	33 Å²	33	67%	0.672	16%	0.155	S	C	*	.	T	Hydrogen-bonded Turn	trans	58	32.7	-176.8	-59.5	-176	179.8	177	-0.1	112.8	L645 S646	L645-R649 PolarHBondContact O-N 3.34Å; S646-R649 PolarHBondContact O-N 2.72Å
650	F	83	Confident	90.7	Very high	29 Å²	29	33 Å²	33	13%	0.127	16%	0.155	C	C	.	.			trans	-103.2	131.6	-179.1	-172.7	-90.4	0	0	0	110.8	M567 L645 R648 H672 M709	M567-F650 HydrophobicContact CB-CE2 4.09Å; M567-F650 HydrophobicContact CE-CD2 3.92Å; M567-F650 HydrophobicContact CE-CE2 4.29Å; L645-F650 HydrophobicContact CB-CB 4.4Å; L645-F650 HydrophobicContact CB-CD1 4.35Å; L645-F650 HydrophobicContact CD1-CD1 4.08Å; L645-F650 HydrophobicContact CD1-CE1 4.47Å; L645-F650 HydrophobicContact CD2-CB 4.36Å; L645-F650 HydrophobicContact CD2-CD1 3.75Å; L645-F650 HydrophobicContact CD2-CE1 4.41Å; L645-F650 HydrophobicContact CD2-CG 4.28Å; L645-F650 HydrophobicContact CG-CD1 4.28Å; L645-F650 PolarHBondContact O-N 3.37Å; L645-F650 VanDerWaalsContact O-N 3.08Å; R648-F650 PolarHBondContact O-N 3.28Å; F650-H672 AromaticContact CE1-CD2 3.23Å; F650-H672 WeakPolarHBondContact CE1-CD2 3.34Å; F650-H672 AromaticContact CE1-NE2 3.35Å; F650-H672 WeakPolarHBondContact CE1-NE2 3.42Å; F650-H672 AromaticContact CZ-CD2 3.39Å; F650-H672 WeakPolarHBondContact CZ-CD2 3.22Å; F650-H672 AromaticContact CZ-CE1 3.71Å; F650-H672 AromaticContact CZ-CG 3.95Å; F650-H672 AromaticContact CZ-NE2 3.19Å; F650-H672 WeakPolarHBondContact CZ-NE2 3.22Å; F650-M709 VanDerWaalsContact O-SD 3.42Å
651	V	88.1	Confident	90.4	Very high	26 Å²	26	31.3 Å²	31.3	16%	0.158	15%	0.148	C	C	.	.			trans	-107.3	123.5	177.2	-175.2	0	0	0	0	108.1	K653 W707 S708 D712	V651-K653 HydrophobicContact CB-CG 4.37Å; V651-K653 HydrophobicContact CG1-CG 3.88Å; V651-W707 HydrophobicContact CG1-CB 4.26Å; V651-S708 WeakPolarHBondContact CG1-O 3.41Å; V651-D712 WeakPolarHBondContact CA-OD2 3.45Å; V651-D712 WeakPolarHBondContact CG1-OD2 3.41Å
652	H	90.2	Very high	90.1	Very high	4 Å²	4	31.3 Å²	31.3	2%	0.019	15%	0.148	C	C	.	.			trans	-73	-35.6	-175.5	-171.2	-43.6	0	0	0	112.8	M642 L645 D654 T671 H672 D712	M642-H652 HydrophobicContact CE-CB 3.84Å; M642-H652 HydrophobicContact SD-CB 4.46Å; L645-H652 HydrophobicContact CD1-CB 4.47Å; H652-D654 PolarHBondContact CE1-O 3.16Å; H652-D654 PolarHBondContact ND1-N 2.87Å; H652-D654 PolarHBondContact O-N 3.19Å; H652-T671 PolarHBondContact CE1-O 3.49Å; H652-T671 PolarHBondContact NE2-O 3.35Å; H652-T671 VanDerWaalsContact NE2-O 3.12Å; H652-H672 AromaticContact CG-CD2 3.99Å; H652-H672 AromaticContact ND1-CD2 3.88Å; H652-H672 PolarHBondContact O-NE2 3.43Å; H652-D712 PolarHBondContact N-OD1 3.48Å; H652-D712 PolarHBondContact N-OD2 3.48Å
653	K	90.3	Very high	89.7	Confident	98 Å²	98	32.1 Å²	32.1	43%	0.426	15%	0.153	S	C	.	.	S	Bend	trans	66	-11.8	176.4	-51.2	-173	177.7	-173.9	0	117.1	V651 W707 D712	V651-K653 HydrophobicContact CB-CG 4.37Å; V651-K653 HydrophobicContact CG1-CG 3.88Å; K653-W707 HydrophobicContact CB-CD2 4.32Å; K653-W707 HydrophobicContact CB-CE3 3.63Å; K653-W707 HydrophobicContact CB-CH2 4.02Å; K653-W707 HydrophobicContact CB-CZ3 3.46Å; K653-W707 VanDerWaalsContact CB-CZ3 3.46Å; K653-W707 HydrophobicContact CD-CD2 3.83Å; K653-W707 HydrophobicContact CD-CE3 3.98Å; K653-W707 HydrophobicContact CD-CG 4.1Å; K653-W707 HydrophobicContact CD-CZ3 4.45Å; K653-W707 HydrophobicContact CG-CD2 3.86Å; K653-W707 HydrophobicContact CG-CE3 3.48Å; K653-W707 VanDerWaalsContact CG-CE3 3.48Å; K653-W707 HydrophobicContact CG-CG 4.36Å; K653-W707 HydrophobicContact CG-CZ3 3.9Å; K653-W707 WeakPolarHBondContact O-CZ3 3.48Å; K653-D712 PolarHBondContact N-OD1 3.2Å
654	D	90.9	Very high	89	Confident	12 Å²	12	33.2 Å²	33.2	6%	0.064	16%	0.163	C	C	.	.			trans	-145.2	39.6	-178.7	-165.5	24.5	0	0	0	112.1	H652 A656 R658 N659 N674 Y684 P693	H652-D654 PolarHBondContact CE1-O 3.16Å; H652-D654 PolarHBondContact ND1-N 2.87Å; H652-D654 PolarHBondContact O-N 3.19Å; D654-A656 PolarHBondContact O-N 3.1Å; D654-R658 IonicContact OD1-CZ 2.88Å; D654-R658 IonicContact OD1-NE 3.51Å; D654-R658 IonicContact OD1-NH2 3.63Å; D654-R658 PolarHBondContact OD1-NH2 3.06Å; D654-R658 IonicContact OD2-NH2 3.29Å; D654-N659 PolarHBondContact O-ND2 3.14Å; D654-N659 PolarHBondContact OD2-ND2 3.05Å; D654-N674 PolarHBondContact OD2-OD1 3.04Å; D654-Y684 WeakPolarHBondContact OD2-CE1 3.35Å; D654-Y684 PolarHBondContact OD2-OH 2.83Å; D654-P693 HydrophobicContact CB-CG 4.37Å; D654-P693 WeakPolarHBondContact OD1-CB 3.49Å; D654-P693 VanDerWaalsContact OD1-CG 3.25Å; D654-P693 WeakPolarHBondContact OD1-CG 3.43Å
655	F	95.1	Very high	88.7	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	20%	0.195	C	C	.	.			trans	-73	117.9	178.4	-174.7	-98.6	0	0	0	110.9	T638 M642 V660 V670 S715 F716 F719	T638-F655 HydrophobicContact CG2-CZ 4.37Å; M642-F655 HydrophobicContact CE-CB 4.26Å; M642-F655 HydrophobicContact CE-CD2 4.06Å; M642-F655 HydrophobicContact CE-CG 4.18Å; M642-F655 HydrophobicContact CG-CD2 4.05Å; M642-F655 HydrophobicContact CG-CE2 3.82Å; M642-F655 HydrophobicContact CG-CZ 4.28Å; M642-F655 HydrophobicContact SD-CD2 3.46Å; M642-F655 WeakPolarHBondContact SD-CD2 3.22Å; M642-F655 HydrophobicContact SD-CE2 3.78Å; M642-F655 HydrophobicContact SD-CG 4.17Å; F655-V660 HydrophobicContact CE2-CG2 4.16Å; F655-V660 HydrophobicContact CZ-CG2 4.29Å; F655-V670 HydrophobicContact CD2-CG1 4Å; F655-V670 HydrophobicContact CE2-CG1 3.92Å; F655-V670 HydrophobicContact CE2-CG2 3.88Å; F655-S715 VanDerWaalsContact O-CB 3.29Å; F655-S715 WeakPolarHBondContact O-CB 3.41Å; F655-F716 HydrophobicContact CD1-CB 4.15Å; F655-F716 HydrophobicContact CD1-CD2 4.18Å; F655-F716 HydrophobicContact CE1-CB 4.08Å; F655-F716 AromaticContact CE1-CD2 3.37Å; F655-F716 HydrophobicContact CE1-CD2 3.37Å; F655-F716 HydrophobicContact CE1-CE2 4.17Å; F655-F716 HydrophobicContact CE1-CG 4.1Å; F655-F716 AromaticContact CZ-CD2 3.79Å; F655-F716 HydrophobicContact CZ-CD2 3.79Å; F655-F716 HydrophobicContact CZ-CE2 4.23Å; F655-F719 HydrophobicContact CD1-CB 4.11Å; F655-F719 HydrophobicContact CD1-CG 4.48Å; F655-F719 HydrophobicContact CE1-CB 3.62Å; F655-F719 AromaticContact CE1-CD1 3.66Å; F655-F719 HydrophobicContact CE1-CD1 3.66Å; F655-F719 HydrophobicContact CE1-CD2 4.27Å; F655-F719 HydrophobicContact CE1-CE1 4.39Å; F655-F719 AromaticContact CE1-CG 3.57Å; F655-F719 HydrophobicContact CE1-CG 3.57Å; F655-F719 AromaticContact CZ-CD1 3.99Å; F655-F719 HydrophobicContact CZ-CD1 3.99Å; F655-F719 HydrophobicContact CZ-CD2 4.5Å; F655-F719 HydrophobicContact CZ-CE1 4.27Å; F655-F719 HydrophobicContact CZ-CG 4.1Å
656	A	95.2	Very high	88.8	Confident	0 Å²	0	42.9 Å²	42.9	0%	0	20%	0.203	C	C	.	.	S	Bend	trans	-161.3	166.1	-177.8	0	0	0	0	0	110.8	D654 R658 N659 W696	D654-A656 PolarHBondContact O-N 3.1Å; A656-R658 HydrophobicContact CB-CG 4Å; A656-R658 PolarHBondContact O-N 3.32Å; A656-R658 VanDerWaalsContact O-N 3.11Å; A656-N659 PolarHBondContact O-N 3.2Å; A656-W696 HydrophobicContact CB-CD2 4.33Å; A656-W696 HydrophobicContact CB-CG 4.24Å
657	A	94.3	Very high	89.1	Confident	0 Å²	0	45.1 Å²	45.1	0%	0	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-60.5	-26.4	-178.7	0	0	0	0	0	113.8	K602 N659 V660 F719 E722	K602-A657 HydrophobicContact CB-CB 4.05Å; K602-A657 PolarHBondContact N-O 3.04Å; A657-N659 PolarHBondContact O-N 3.45Å; A657-V660 PolarHBondContact O-N 3.11Å; A657-F719 HydrophobicContact CB-CD2 3.98Å; A657-F719 HydrophobicContact CB-CE2 4.14Å; A657-E722 HydrophobicContact CB-CB 4.15Å; A657-E722 PolarHBondContact N-OE2 3.23Å
658	R	89.8	Confident	89.6	Confident	1 Å²	1	40.7 Å²	40.7	0%	0.004	18%	0.18	C	C	.	.	G	3₁₀ helix	trans	-67.6	-21.5	174.8	61.3	175.9	173.7	-74.8	-11.5	114	N600 K602 D654 A656 N676 F680 E683 Y684 P693	N600-R658 WeakPolarHBondContact CB-O 3.31Å; K602-R658 HydrophobicContact CB-CB 4.35Å; K602-R658 HydrophobicContact CD-CB 4.21Å; D654-R658 IonicContact OD1-CZ 2.88Å; D654-R658 IonicContact OD1-NE 3.51Å; D654-R658 IonicContact OD1-NH2 3.63Å; D654-R658 PolarHBondContact OD1-NH2 3.06Å; D654-R658 IonicContact OD2-NH2 3.29Å; A656-R658 HydrophobicContact CB-CG 4Å; A656-R658 PolarHBondContact O-N 3.32Å; A656-R658 VanDerWaalsContact O-N 3.11Å; R658-N676 PolarHBondContact O-ND2 2.92Å; R658-F680 HydrophobicContact CB-CD1 4.35Å; R658-F680 HydrophobicContact CB-CD2 3.7Å; R658-F680 HydrophobicContact CB-CE1 4.28Å; R658-F680 HydrophobicContact CB-CE2 3.6Å; R658-F680 HydrophobicContact CB-CG 4.09Å; R658-F680 HydrophobicContact CB-CZ 3.9Å; R658-F680 HydrophobicContact CG-CD2 4.43Å; R658-E683 IonicContact CZ-OE2 3.54Å; R658-E683 IonicContact NE-OE2 2.73Å; R658-E683 IonicContact NH1-OE2 2.94Å; R658-E683 PolarHBondContact NH1-OE2 3.07Å; R658-Y684 PolarHBondContact NE-OH 3.49Å; R658-P693 VanDerWaalsContact NH2-CB 3.29Å
659	N	90.5	Very high	90.1	Very high	1 Å²	1	36.4 Å²	36.4	1%	0.005	16%	0.164	C	C	.	.	G	3₁₀ helix	trans	-106.6	17.6	-178.9	-70.2	-17.9	0	0	0	112	D654 A656 A657 T671	D654-N659 PolarHBondContact O-ND2 3.14Å; D654-N659 PolarHBondContact OD2-ND2 3.05Å; A656-N659 PolarHBondContact O-N 3.2Å; A657-N659 PolarHBondContact O-N 3.45Å; N659-T671 HydrophobicContact CB-CG2 4.25Å; N659-T671 WeakPolarHBondContact O-CG2 3.43Å; N659-T671 PolarHBondContact O-N 3.13Å
660	V	93.7	Very high	90.7	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	117.4	170.2	179.8	0	0	0	0	107.9	N600 L601 T638 F655 A657 V668 V670 F719	N600-V660 CarbonylContact C-O 3.55Å; N600-V660 WeakPolarHBondContact CA-O 3.37Å; L601-V660 HydrophobicContact CB-CB 4.14Å; L601-V660 HydrophobicContact CB-CG1 4.27Å; L601-V660 WeakPolarHBondContact CB-O 3.47Å; L601-V660 HydrophobicContact CD2-CB 4.29Å; L601-V660 HydrophobicContact CD2-CG1 4Å; L601-V660 PolarHBondContact N-O 3.13Å; T638-V660 HydrophobicContact CG2-CG1 3.91Å; T638-V660 HydrophobicContact CG2-CG2 4.09Å; F655-V660 HydrophobicContact CE2-CG2 4.16Å; F655-V660 HydrophobicContact CZ-CG2 4.29Å; A657-V660 PolarHBondContact O-N 3.11Å; V660-V668 HydrophobicContact CG1-CB 3.83Å; V660-V668 HydrophobicContact CG1-CG1 4.15Å; V660-V668 HydrophobicContact CG1-CG2 4.43Å; V660-V670 HydrophobicContact CG2-CG2 4.46Å; V660-F719 HydrophobicContact CB-CE2 4.47Å; V660-F719 HydrophobicContact CG2-CE2 3.89Å; V660-F719 HydrophobicContact CG2-CZ 4.29Å
661	L	91	Very high	90.9	Very high	17 Å²	17	26.5 Å²	26.5	9%	0.089	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	145.7	172.7	-59.2	179	0	0	0	110	A577 L596 G599 N600 V668 K669 T671	A577-L661 HydrophobicContact CB-CD1 4.44Å; L596-L661 HydrophobicContact CB-CB 4.2Å; L596-L661 HydrophobicContact CD1-CB 4.48Å; L596-L661 HydrophobicContact CD2-CB 3.91Å; L596-L661 HydrophobicContact CG-CB 4.42Å; G599-L661 CarbonylContact O-C 3.55Å; G599-L661 VanDerWaalsContact O-CA 3.24Å; G599-L661 WeakPolarHBondContact O-CA 3.37Å; N600-L661 HydrophobicContact CB-CD2 4.36Å; L661-V668 CarbonylContact O-C 3.6Å; L661-V668 WeakPolarHBondContact O-CA 3.42Å; L661-V668 VanDerWaalsContact O-CB 3.31Å; L661-V668 WeakPolarHBondContact O-CB 3.47Å; L661-K669 HydrophobicContact CB-CB 4.49Å; L661-K669 PolarHBondContact N-O 3.26Å; L661-K669 PolarHBondContact O-N 3.47Å; L661-T671 HydrophobicContact CG-CG2 4.24Å
662	I	89.3	Confident	90.1	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	143	-179.1	-177.1	165	0	0	0	111	L596 Y598 G599 L601 Y604 I634 Y666 V668	L596-I662 WeakPolarHBondContact CB-O 3.37Å; Y598-I662 WeakPolarHBondContact CA-O 3.32Å; Y598-I662 VanDerWaalsContact CB-O 3.3Å; Y598-I662 WeakPolarHBondContact CB-O 3.28Å; Y598-I662 PolarHBondContact N-O 3.45Å; G599-I662 PolarHBondContact O-N 3.36Å; L601-I662 HydrophobicContact CB-CG2 4.34Å; L601-I662 HydrophobicContact CD1-CD1 3.88Å; L601-I662 HydrophobicContact CD1-CG2 4.37Å; Y604-I662 HydrophobicContact CD2-CG2 4.38Å; Y604-I662 HydrophobicContact CG-CG2 4.34Å; I634-I662 HydrophobicContact CD1-CD1 3.75Å; I662-Y666 HydrophobicContact CD1-CD1 4.18Å; I662-V668 HydrophobicContact CB-CG1 3.98Å; I662-V668 HydrophobicContact CD1-CG1 4.26Å; I662-V668 HydrophobicContact CG1-CG1 3.98Å
663	S	86.3	Confident	88.6	Confident	17 Å²	17	26.5 Å²	26.5	12%	0.119	13%	0.125	C	C	.	.			trans	-103.2	166.7	175.3	63.1	0	0	0	0	112.7	D597 Y598 K665 Y666 F667	D597-S663 VanDerWaalsContact OD1-C 3.3Å; D597-S663 WeakPolarHBondContact OD1-CA 3.43Å; D597-S663 WeakPolarHBondContact OD1-CB 3.46Å; Y598-S663 WeakPolarHBondContact CD2-O 3.5Å; S663-K665 PolarHBondContact O-N 3.34Å; S663-K665 VanDerWaalsContact O-N 3.14Å; S663-Y666 WeakPolarHBondContact O-CA 3.43Å; S663-Y666 PolarHBondContact O-N 3.23Å; S663-F667 PolarHBondContact N-O 3.15Å; S663-F667 WeakPolarHBondContact OG-CB 3.4Å; S663-F667 PolarHBondContact OG-N 3.14Å; S663-F667 VanDerWaalsContact OG-N 3.09Å; S663-F667 PolarHBondContact OG-O 3.13Å
664	S	80.5	Confident	86.9	Confident	48 Å²	48	24.4 Å²	24.4	34%	0.336	12%	0.118	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-21.9	171.9	55.9	0	0	0	0	114.4	D597 Y598 Y666	D597-S664 PolarHBondContact OD1-N 3.21Å; D597-S664 WeakPolarHBondContact OD2-CB 3.35Å; D597-S664 PolarHBondContact OD2-OG 3.4Å; Y598-S664 VanDerWaalsContact CE2-CA 3.4Å; S664-Y666 VanDerWaalsContact C-N 3.35Å
665	K	87.1	Confident	84.9	Confident	181 Å²	181	24.5 Å²	24.5	79%	0.787	12%	0.118	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.6	7.3	173.4	-62.1	-177.1	-178.9	178	0	113.6	S663 F667	S663-K665 PolarHBondContact O-N 3.34Å; S663-K665 VanDerWaalsContact O-N 3.14Å; K665-F667 PolarHBondContact O-N 2.93Å
666	Y	92	Very high	82.7	Confident	49 Å²	49	25.8 Å²	25.8	19%	0.192	13%	0.125	C	C	.	.			trans	61.5	18.4	-176.8	-47.9	-83.1	0	0	0	114.6	L626 Q630 Q637 I662 S663 S664	L626-Y666 HydrophobicContact CD2-CD1 3.69Å; L626-Y666 HydrophobicContact CD2-CE1 3.71Å; Q630-Y666 HydrophobicContact CG-CD1 4.31Å; Q630-Y666 HydrophobicContact CG-CD2 4.35Å; Q630-Y666 HydrophobicContact CG-CG 4.2Å; Q630-Y666 PolarHBondContact NE2-OH 3Å; Q637-Y666 PolarHBondContact NE2-O 2.91Å; Q637-Y666 VanDerWaalsContact NE2-O 3.15Å; I662-Y666 HydrophobicContact CD1-CD1 4.18Å; S663-Y666 WeakPolarHBondContact O-CA 3.43Å; S663-Y666 PolarHBondContact O-N 3.23Å; S664-Y666 VanDerWaalsContact C-N 3.35Å
667	F	94.4	Very high	80.5	Confident	74 Å²	74	26.3 Å²	26.3	33%	0.325	13%	0.128	S	C	.	.			trans	-74.6	134.8	164.9	-170.3	-97.3	0	0	0	109.1	P574 N575 Q637 S663 K665 K669	P574-F667 HydrophobicContact CB-CZ 3.96Å; P574-F667 WeakPolarHBondContact O-CE1 3.24Å; P574-F667 WeakPolarHBondContact O-CZ 3.33Å; N575-F667 VanDerWaalsContact ND2-CE2 3.29Å; N575-F667 WeakPolarHBondContact ND2-CE2 3.39Å; N575-F667 VanDerWaalsContact ND2-CZ 3.26Å; N575-F667 WeakPolarHBondContact ND2-CZ 3.4Å; Q637-F667 VanDerWaalsContact OE1-CD2 3.26Å; S663-F667 PolarHBondContact N-O 3.15Å; S663-F667 WeakPolarHBondContact OG-CB 3.4Å; S663-F667 PolarHBondContact OG-N 3.14Å; S663-F667 VanDerWaalsContact OG-N 3.09Å; S663-F667 PolarHBondContact OG-O 3.13Å; K665-F667 PolarHBondContact O-N 2.93Å; F667-K669 HydrophobicContact CD1-CG 4.26Å; F667-K669 HydrophobicContact CE1-CD 4.43Å; F667-K669 HydrophobicContact CE1-CG 3.83Å
668	V	96.4	Very high	78.4	Confident	1 Å²	1	27.7 Å²	27.7	1%	0.006	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	150	-177.3	-62.9	0	0	0	0	113.1	N575 I634 Q637 T638 V660 L661 I662	N575-V668 WeakPolarHBondContact CA-O 3.49Å; N575-V668 PolarHBondContact ND2-O 3.14Å; I634-V668 HydrophobicContact CB-CG1 4.43Å; I634-V668 HydrophobicContact CD1-CG1 4.43Å; I634-V668 HydrophobicContact CG1-CG1 3.82Å; I634-V668 HydrophobicContact CG2-CG1 4.07Å; I634-V668 HydrophobicContact CG2-CG2 4.39Å; Q637-V668 HydrophobicContact CB-CG2 3.42Å; Q637-V668 VanDerWaalsContact CB-CG2 3.42Å; Q637-V668 HydrophobicContact CG-CG2 4.29Å; T638-V668 HydrophobicContact CG2-CG2 3.97Å; V660-V668 HydrophobicContact CG1-CB 3.83Å; V660-V668 HydrophobicContact CG1-CG1 4.15Å; V660-V668 HydrophobicContact CG1-CG2 4.43Å; L661-V668 CarbonylContact O-C 3.6Å; L661-V668 WeakPolarHBondContact O-CA 3.42Å; L661-V668 VanDerWaalsContact O-CB 3.31Å; L661-V668 WeakPolarHBondContact O-CB 3.47Å; I662-V668 HydrophobicContact CB-CG1 3.98Å; I662-V668 HydrophobicContact CD1-CG1 4.26Å; I662-V668 HydrophobicContact CG1-CG1 3.98Å
669	K	93.5	Very high	76.7	Confident	28 Å²	28	33 Å²	33	12%	0.122	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	122.4	175.4	-67.6	-170.6	-177.6	-96.5	0	111	P574 N575 A577 E594 L596 L661 F667	P574-K669 PolarHBondContact O-NZ 3.46Å; N575-K669 CarbonylContact O-C 3.6Å; N575-K669 VanDerWaalsContact O-CA 3.3Å; N575-K669 WeakPolarHBondContact O-CA 3.43Å; A577-K669 HydrophobicContact CB-CB 4.22Å; E594-K669 IonicContact OE1-NZ 2.63Å; E594-K669 VanDerWaalsContact OE2-CD 3.28Å; E594-K669 WeakPolarHBondContact OE2-CD 3.45Å; E594-K669 WeakPolarHBondContact OE2-CE 3.05Å; E594-K669 IonicContact OE2-NZ 2.76Å; E594-K669 PolarHBondContact OE2-NZ 2.86Å; L596-K669 HydrophobicContact CD1-CD 3.72Å; L596-K669 HydrophobicContact CD1-CG 4.23Å; L596-K669 HydrophobicContact CD2-CB 4.33Å; L596-K669 HydrophobicContact CD2-CG 4.18Å; L661-K669 HydrophobicContact CB-CB 4.49Å; L661-K669 PolarHBondContact N-O 3.26Å; L661-K669 PolarHBondContact O-N 3.47Å; F667-K669 HydrophobicContact CD1-CG 4.26Å; F667-K669 HydrophobicContact CE1-CD 4.43Å; F667-K669 HydrophobicContact CE1-CG 3.83Å
670	V	93.6	Very high	75.3	Confident	0 Å²	0	33.4 Å²	33.4	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	132.2	172.9	-178.9	0	0	0	0	108.8	N575 M576 A577 T638 A641 M642 F655 V660	N575-V670 PolarHBondContact O-N 2.93Å; M576-V670 HydrophobicContact SD-CB 3.87Å; M576-V670 HydrophobicContact SD-CG1 4.27Å; A577-V670 PolarHBondContact N-O 3.49Å; T638-V670 HydrophobicContact CG2-CG2 4.06Å; A641-V670 HydrophobicContact CB-CB 4.16Å; A641-V670 HydrophobicContact CB-CG2 3.65Å; M642-V670 HydrophobicContact SD-CG1 4.21Å; F655-V670 HydrophobicContact CD2-CG1 4Å; F655-V670 HydrophobicContact CE2-CG1 3.92Å; F655-V670 HydrophobicContact CE2-CG2 3.88Å; V660-V670 HydrophobicContact CG2-CG2 4.46Å
671	T	85.8	Confident	73.9	Confident	0 Å²	0	35 Å²	35	0%	0	17%	0.171	C	C	.	.			trans	-113	130	176.7	164	0	0	0	0	110	H652 N659 L661 L673	H652-T671 PolarHBondContact CE1-O 3.49Å; H652-T671 PolarHBondContact NE2-O 3.35Å; H652-T671 VanDerWaalsContact NE2-O 3.12Å; N659-T671 HydrophobicContact CB-CG2 4.25Å; N659-T671 WeakPolarHBondContact O-CG2 3.43Å; N659-T671 PolarHBondContact O-N 3.13Å; L661-T671 HydrophobicContact CG-CG2 4.24Å; T671-L673 VanDerWaalsContact C-N 3.33Å; T671-L673 PolarHBondContact OG1-N 2.97Å; T671-L673 VanDerWaalsContact OG1-N 3.12Å; T671-L673 PolarHBondContact OG1-O 3.27Å
672	H	72	Confident	72.5	Confident	27 Å²	27	38.3 Å²	38.3	13%	0.125	20%	0.2	C	C	.	.			trans	-77.2	-27.1	170.6	-165.2	-93.2	0	0	0	112.5	E564 H568 F650 H652 N674	E564-H672 IonicContact OE1-CE1 3.16Å; E564-H672 PolarHBondContact OE1-CE1 3.47Å; E564-H672 IonicContact OE1-ND1 3.12Å; E564-H672 PolarHBondContact OE1-ND1 3.41Å; H568-H672 VanDerWaalsContact CD2-CB 3.48Å; H568-H672 WeakPolarHBondContact CD2-CB 3.17Å; F650-H672 AromaticContact CE1-CD2 3.23Å; F650-H672 WeakPolarHBondContact CE1-CD2 3.34Å; F650-H672 AromaticContact CE1-NE2 3.35Å; F650-H672 WeakPolarHBondContact CE1-NE2 3.42Å; F650-H672 AromaticContact CZ-CD2 3.39Å; F650-H672 WeakPolarHBondContact CZ-CD2 3.22Å; F650-H672 AromaticContact CZ-CE1 3.71Å; F650-H672 AromaticContact CZ-CG 3.95Å; F650-H672 AromaticContact CZ-NE2 3.19Å; F650-H672 WeakPolarHBondContact CZ-NE2 3.22Å; H652-H672 AromaticContact CG-CD2 3.99Å; H652-H672 AromaticContact ND1-CD2 3.88Å; H652-H672 PolarHBondContact O-NE2 3.43Å; H672-N674 PolarHBondContact O-N 3Å
673	L	59	Low	72	Confident	3 Å²	3	39.2 Å²	39.2	2%	0.016	20%	0.204	C	C	.	.	S	Bend	trans	-68.7	125.2	-176.3	-80.9	162.2	0	0	0	109.4	F561 M565 V591 L593 T671 L675	F561-L673 HydrophobicContact CE2-CD2 4.09Å; M565-L673 HydrophobicContact CE-CD1 4.01Å; M565-L673 HydrophobicContact CE-CD2 3.11Å; M565-L673 HydrophobicContact CE-CG 3.58Å; M565-L673 HydrophobicContact SD-CD1 3.83Å; M565-L673 HydrophobicContact SD-CD2 3.68Å; M565-L673 HydrophobicContact SD-CG 4.08Å; V591-L673 HydrophobicContact CG1-CD1 3.84Å; L593-L673 HydrophobicContact CD1-CD1 3.35Å; L593-L673 HydrophobicContact CD2-CD1 3.5Å; L593-L673 VanDerWaalsContact CD2-CD1 3.5Å; L593-L673 HydrophobicContact CG-CD1 3.95Å; T671-L673 VanDerWaalsContact C-N 3.33Å; T671-L673 PolarHBondContact OG1-N 2.97Å; T671-L673 VanDerWaalsContact OG1-N 3.12Å; T671-L673 PolarHBondContact OG1-O 3.27Å; L673-L675 HydrophobicContact CB-CD1 4.38Å; L673-L675 HydrophobicContact CB-CD2 3.48Å; L673-L675 VanDerWaalsContact CB-CD2 3.48Å; L673-L675 HydrophobicContact CB-CG 3.56Å; L673-L675 HydrophobicContact CD1-CD2 4Å; L673-L675 HydrophobicContact CG-CD2 4.23Å; L673-L675 PolarHBondContact O-N 3.46Å
674	N	55.3	Low	71.6	Confident	53 Å²	53	39.5 Å²	39.5	28%	0.283	20%	0.203	S	C	.	.			trans	-61.7	54.3	161.5	-81.4	-31.9	0	0	0	110.8	K548 D654 H672 N676 N677 Y684	K548-N674 PolarHBondContact NZ-O 2.84Å; D654-N674 PolarHBondContact OD2-OD1 3.04Å; H672-N674 PolarHBondContact O-N 3Å; N674-N676 PolarHBondContact O-N 2.92Å; N674-N677 HydrophobicContact CB-CB 4.38Å; N674-Y684 PolarHBondContact OD1-OH 3.45Å
675	L	48.4	Very low	71.4	Confident	14 Å²	14	40.1 Å²	40.1	7%	0.073	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-33.9	-177.1	-62.8	178.4	0	0	0	110.9	V528 K548 L593 L673	V528-L675 WeakPolarHBondContact CG2-O 3.48Å; K548-L675 HydrophobicContact CB-CD2 3.95Å; K548-L675 HydrophobicContact CD-CD2 3.51Å; K548-L675 HydrophobicContact CG-CD2 4.36Å; L593-L675 HydrophobicContact CD1-CD1 3.59Å; L593-L675 HydrophobicContact CD1-CD2 3.38Å; L593-L675 HydrophobicContact CD1-CG 4.05Å; L673-L675 HydrophobicContact CB-CD1 4.38Å; L673-L675 HydrophobicContact CB-CD2 3.48Å; L673-L675 VanDerWaalsContact CB-CD2 3.48Å; L673-L675 HydrophobicContact CB-CG 3.56Å; L673-L675 HydrophobicContact CD1-CD2 4Å; L673-L675 HydrophobicContact CG-CD2 4.23Å; L673-L675 PolarHBondContact O-N 3.46Å
676	N	47.7	Very low	70.6	Confident	28 Å²	28	34.9 Å²	34.9	15%	0.15	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.8	17.6	-167.1	-59.3	-35.5	0	0	0	113.5	R658 N674 D678 Q679 F680	R658-N676 PolarHBondContact O-ND2 2.92Å; N674-N676 PolarHBondContact O-N 2.92Å; N676-D678 PolarHBondContact O-N 3.11Å; N676-D678 VanDerWaalsContact O-N 3.11Å; N676-Q679 PolarHBondContact O-N 3.25Å; N676-F680 HydrophobicContact CB-CD2 3.46Å; N676-F680 VanDerWaalsContact CB-CD2 3.46Å; N676-F680 HydrophobicContact CB-CE2 3.56Å; N676-F680 WeakPolarHBondContact O-CD2 3.23Å; N676-F680 PolarHBondContact O-N 3.43Å; N676-F680 VanDerWaalsContact O-N 3.14Å
677	N	50.2	Low	69.6	Low	11 Å²	11	34.4 Å²	34.4	6%	0.059	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.2	-41.8	-169.8	-149.5	-7.7	0	0	0	111.2	Y525 N674 Q679 F680 L681 Y684	Y525-N677 HydrophobicContact CD2-CB 3.94Å; Y525-N677 HydrophobicContact CE2-CB 4.17Å; N674-N677 HydrophobicContact CB-CB 4.38Å; N677-Q679 PolarHBondContact O-N 3.05Å; N677-F680 CarbonylContact O-C 3.57Å; N677-F680 PolarHBondContact O-N 3.44Å; N677-L681 WeakPolarHBondContact O-CA 3.28Å; N677-L681 VanDerWaalsContact O-CD2 3.26Å; N677-L681 WeakPolarHBondContact O-CD2 3.34Å; N677-L681 WeakPolarHBondContact O-CG 3.33Å; N677-L681 PolarHBondContact O-N 3.34Å; N677-Y684 WeakPolarHBondContact OD1-CD2 3.46Å; N677-Y684 WeakPolarHBondContact OD1-CE2 3.4Å
678	D	50.3	Low	68.4	Low	29 Å²	29	36.4 Å²	36.4	16%	0.155	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-31.7	-179.6	-69.9	-73.8	0	0	0	115.2	G523 I524 Y525 N676 L681	G523-D678 VanDerWaalsContact C-CG 3.48Å; G523-D678 VanDerWaalsContact CA-CB 3.47Å; G523-D678 WeakPolarHBondContact CA-OD2 3.42Å; I524-D678 WeakPolarHBondContact CG1-OD1 3.38Å; I524-D678 PolarHBondContact N-OD1 3.36Å; I524-D678 PolarHBondContact N-OD2 2.88Å; Y525-D678 PolarHBondContact N-OD2 2.9Å; N676-D678 PolarHBondContact O-N 3.11Å; N676-D678 VanDerWaalsContact O-N 3.11Å; D678-L681 WeakPolarHBondContact O-CD1 3.5Å; D678-L681 WeakPolarHBondContact O-CG 3.4Å
679	Q	53.7	Low	66.5	Low	113 Å²	113	38.6 Å²	38.6	53%	0.528	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-25.3	179	-151.4	167.7	23.7	0	0	112	H603 N676 N677	H603-Q679 PolarHBondContact CE1-OE1 3.33Å; H603-Q679 VanDerWaalsContact CE1-OE1 3.29Å; N676-Q679 PolarHBondContact O-N 3.25Å; N677-Q679 PolarHBondContact O-N 3.05Å
680	F	61.8	Low	65.2	Low	9 Å²	9	40.9 Å²	40.9	4%	0.039	21%	0.21	C	C	.	.	S	Bend	trans	-109.3	19.1	179	-61.4	-68.4	0	0	0	113.5	K602 H603 R658 N676 N677 A682 E683 Y684	K602-F680 HydrophobicContact CB-CE1 4.45Å; K602-F680 HydrophobicContact CB-CZ 4.38Å; K602-F680 HydrophobicContact CD-CD1 4.2Å; K602-F680 HydrophobicContact CD-CE1 3.74Å; K602-F680 HydrophobicContact CD-CZ 4.4Å; K602-F680 HydrophobicContact CG-CE1 4.16Å; H603-F680 AromaticContact CD2-CZ 3.98Å; H603-F680 AromaticContact CE1-CZ 3.62Å; H603-F680 AromaticContact NE2-CE1 3.78Å; H603-F680 AromaticContact NE2-CZ 3.53Å; R658-F680 HydrophobicContact CB-CD1 4.35Å; R658-F680 HydrophobicContact CB-CD2 3.7Å; R658-F680 HydrophobicContact CB-CE1 4.28Å; R658-F680 HydrophobicContact CB-CE2 3.6Å; R658-F680 HydrophobicContact CB-CG 4.09Å; R658-F680 HydrophobicContact CB-CZ 3.9Å; R658-F680 HydrophobicContact CG-CD2 4.43Å; N676-F680 HydrophobicContact CB-CD2 3.46Å; N676-F680 VanDerWaalsContact CB-CD2 3.46Å; N676-F680 HydrophobicContact CB-CE2 3.56Å; N676-F680 WeakPolarHBondContact O-CD2 3.23Å; N676-F680 PolarHBondContact O-N 3.43Å; N676-F680 VanDerWaalsContact O-N 3.14Å; N677-F680 CarbonylContact O-C 3.57Å; N677-F680 PolarHBondContact O-N 3.44Å; F680-A682 PolarHBondContact O-N 3.13Å; F680-E683 HydrophobicContact CB-CG 4.24Å; F680-E683 WeakPolarHBondContact CD1-OE1 3.5Å; F680-E683 VanDerWaalsContact O-CB 3.28Å; F680-E683 WeakPolarHBondContact O-CB 3.29Å; F680-E683 PolarHBondContact O-N 3.21Å; F680-Y684 HydrophobicContact CB-CE2 4.3Å; F680-Y684 WeakPolarHBondContact O-CD2 3.29Å
681	L	63.6	Low	64.2	Low	34 Å²	34	44 Å²	44	18%	0.178	23%	0.228	C	C	.	.	G	3₁₀ helix	trans	-52.7	-30.4	-177	-70.7	168.6	0	0	0	113.6	F353 Y525 N677 D678 E683 Y684	F353-L681 HydrophobicContact CB-CD1 4.5Å; F353-L681 HydrophobicContact CD1-CD1 3.65Å; F353-L681 HydrophobicContact CD2-CB 4.47Å; F353-L681 HydrophobicContact CD2-CD1 3.72Å; F353-L681 HydrophobicContact CD2-CD2 4.12Å; F353-L681 HydrophobicContact CD2-CG 4.3Å; F353-L681 HydrophobicContact CE1-CD1 3.67Å; F353-L681 HydrophobicContact CE2-CD1 3.75Å; F353-L681 HydrophobicContact CE2-CD2 3.87Å; F353-L681 HydrophobicContact CE2-CG 4.37Å; F353-L681 HydrophobicContact CG-CD1 3.68Å; F353-L681 HydrophobicContact CZ-CD1 3.73Å; F353-L681 HydrophobicContact CZ-CD2 4.42Å; Y525-L681 HydrophobicContact CE2-CD2 4.38Å; N677-L681 WeakPolarHBondContact O-CA 3.28Å; N677-L681 VanDerWaalsContact O-CD2 3.26Å; N677-L681 WeakPolarHBondContact O-CD2 3.34Å; N677-L681 WeakPolarHBondContact O-CG 3.33Å; N677-L681 PolarHBondContact O-N 3.34Å; D678-L681 WeakPolarHBondContact O-CD1 3.5Å; D678-L681 WeakPolarHBondContact O-CG 3.4Å; L681-E683 PolarHBondContact O-N 2.95Å; L681-Y684 PolarHBondContact O-N 3.4Å
682	A	62.9	Low	64.1	Low	85 Å²	85	44.8 Å²	44.8	70%	0.702	23%	0.233	S	C	*	.	G	3₁₀ helix	trans	-66	-18.3	177	0	0	0	0	0	113.9	F680	F680-A682 PolarHBondContact O-N 3.13Å
683	E	77.2	Confident	65	Low	20 Å²	20	43.9 Å²	43.9	9%	0.093	23%	0.229	C	C	.	.	G	3₁₀ helix	trans	-86.9	-12.7	177.8	-54.6	-168.7	-174.5	0	0	112.4	K602 R658 F680 L681 W696 L729	K602-E683 WeakPolarHBondContact CD-OE1 3.49Å; K602-E683 WeakPolarHBondContact CE-OE1 3.2Å; K602-E683 IonicContact NZ-OE1 2.7Å; K602-E683 PolarHBondContact NZ-OE1 3.44Å; K602-E683 IonicContact NZ-OE2 2.93Å; K602-E683 PolarHBondContact NZ-OE2 2.88Å; R658-E683 IonicContact CZ-OE2 3.54Å; R658-E683 IonicContact NE-OE2 2.73Å; R658-E683 IonicContact NH1-OE2 2.94Å; R658-E683 PolarHBondContact NH1-OE2 3.07Å; F680-E683 HydrophobicContact CB-CG 4.24Å; F680-E683 WeakPolarHBondContact CD1-OE1 3.5Å; F680-E683 VanDerWaalsContact O-CB 3.28Å; F680-E683 WeakPolarHBondContact O-CB 3.29Å; F680-E683 PolarHBondContact O-N 3.21Å; L681-E683 PolarHBondContact O-N 2.95Å; E683-W696 HydrophobicContact CB-CH2 3.91Å; E683-W696 HydrophobicContact CB-CZ3 3.88Å; E683-W696 HydrophobicContact CG-CH2 4.16Å; E683-W696 VanDerWaalsContact OE2-CH2 3.22Å; E683-W696 WeakPolarHBondContact OE2-CH2 3.26Å; E683-L729 HydrophobicContact CG-CD1 4.02Å
684	Y	78.7	Confident	66.6	Low	23 Å²	23	43.8 Å²	43.8	9%	0.09	23%	0.229	C	C	.	.			trans	-102.3	146.3	177.5	-62.6	-92.1	0	0	0	110.9	D654 R658 N674 N677 F680 L681 V691 L692 P693	D654-Y684 WeakPolarHBondContact OD2-CE1 3.35Å; D654-Y684 PolarHBondContact OD2-OH 2.83Å; R658-Y684 PolarHBondContact NE-OH 3.49Å; N674-Y684 PolarHBondContact OD1-OH 3.45Å; N677-Y684 WeakPolarHBondContact OD1-CD2 3.46Å; N677-Y684 WeakPolarHBondContact OD1-CE2 3.4Å; F680-Y684 HydrophobicContact CB-CE2 4.3Å; F680-Y684 WeakPolarHBondContact O-CD2 3.29Å; L681-Y684 PolarHBondContact O-N 3.4Å; Y684-V691 HydrophobicContact CD1-CG1 4.07Å; Y684-V691 HydrophobicContact CG-CG1 4.06Å; Y684-L692 WeakPolarHBondContact CA-O 3.31Å; Y684-P693 HydrophobicContact CD1-CB 4.27Å; Y684-P693 HydrophobicContact CE1-CB 4.11Å
685	Y	76.6	Confident	68.5	Low	61 Å²	61	42.1 Å²	42.1	24%	0.239	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	134.2	179.2	179.2	-115.8	0	0	0	110.3	Y687 L692 L694 N736 I740	Y685-Y687 HydrophobicContact CE1-CD2 4.16Å; Y685-Y687 PolarHBondContact O-N 2.97Å; Y685-L692 PolarHBondContact N-O 3.41Å; Y685-L692 PolarHBondContact O-N 3.1Å; Y685-L694 HydrophobicContact CD1-CD2 3.8Å; Y685-L694 HydrophobicContact CE1-CD2 4.47Å; Y685-L694 HydrophobicContact CG-CD2 4.19Å; Y685-N736 HydrophobicContact CD1-CB 4.37Å; Y685-N736 HydrophobicContact CD2-CB 3.97Å; Y685-N736 WeakPolarHBondContact CD2-ND2 3.41Å; Y685-N736 HydrophobicContact CE1-CB 4.39Å; Y685-N736 HydrophobicContact CE2-CB 3.98Å; Y685-N736 HydrophobicContact CG-CB 4.14Å; Y685-I740 HydrophobicContact CD1-CD1 4.28Å; Y685-I740 HydrophobicContact CE1-CD1 3.63Å
686	T	70.1	Confident	70.8	Confident	70 Å²	70	41.4 Å²	41.4	43%	0.429	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	108.1	173.3	-54.1	0	0	0	0	109.2	L690	T686-L690 CarbonylContact C-O 3.6Å; T686-L690 VanDerWaalsContact CA-O 3.3Å; T686-L690 WeakPolarHBondContact CA-O 3.31Å
687	Y	71.6	Confident	73.1	Confident	40 Å²	40	40.2 Å²	40.2	16%	0.157	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	127.5	174.6	-178.3	-106.9	0	0	0	109.6	Y685 N689 L690 L692 L702 I740	Y685-Y687 HydrophobicContact CE1-CD2 4.16Å; Y685-Y687 PolarHBondContact O-N 2.97Å; Y687-N689 PolarHBondContact O-N 3.36Å; Y687-N689 VanDerWaalsContact O-N 3.11Å; Y687-L690 PolarHBondContact N-O 2.94Å; Y687-L690 PolarHBondContact O-N 2.91Å; Y687-L692 HydrophobicContact CD1-CD1 4.36Å; Y687-L702 HydrophobicContact CD1-CD1 3.54Å; Y687-L702 HydrophobicContact CD1-CG 4.38Å; Y687-L702 HydrophobicContact CE1-CD1 3.86Å; Y687-L702 HydrophobicContact CE1-CG 4.2Å; Y687-L702 HydrophobicContact CG-CD1 4.24Å; Y687-I740 HydrophobicContact CD2-CD1 3.81Å; Y687-I740 HydrophobicContact CE2-CD1 4.01Å
688	R	68.8	Low	75.4	Confident	115 Å²	115	39.7 Å²	39.7	43%	0.434	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.8	35.9	-174.4	-64	176.9	169.8	170.1	-1.7	113.2	R192 L690 F703	R192-R688 PolarHBondContact NH1-O 3.39Å; R192-R688 VanDerWaalsContact NH1-O 3.11Å; R192-R688 PolarHBondContact NH2-O 2.94Å; R688-L690 PolarHBondContact O-N 2.83Å; R688-F703 PolarHBondContact NH1-O 2.66Å
689	N	56.6	Low	77.4	Confident	47 Å²	47	39 Å²	39	25%	0.251	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	64.9	14.7	-175.5	-50.3	-86.4	0	0	0	115.9	R192 K193 Y687	R192-N689 WeakPolarHBondContact CD-ND2 3.45Å; R192-N689 PolarHBondContact NE-ND2 2.99Å; K193-N689 PolarHBondContact N-OD1 3.18Å; K193-N689 PolarHBondContact O-OD1 2.83Å; Y687-N689 PolarHBondContact O-N 3.36Å; Y687-N689 VanDerWaalsContact O-N 3.11Å
690	L	66.3	Low	79.4	Confident	76 Å²	76	34.4 Å²	34.4	40%	0.398	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	136	167.9	-61.6	175	0	0	0	108.5	T686 Y687 R688 L692	T686-L690 CarbonylContact C-O 3.6Å; T686-L690 VanDerWaalsContact CA-O 3.3Å; T686-L690 WeakPolarHBondContact CA-O 3.31Å; Y687-L690 PolarHBondContact N-O 2.94Å; Y687-L690 PolarHBondContact O-N 2.91Å; R688-L690 PolarHBondContact O-N 2.83Å; L690-L692 HydrophobicContact CB-CD1 4.1Å; L690-L692 HydrophobicContact CB-CD2 3.84Å; L690-L692 HydrophobicContact CB-CG 3.73Å; L690-L692 HydrophobicContact CD1-CD2 4.46Å; L690-L692 PolarHBondContact O-N 2.95Å
691	V	71.5	Confident	80.9	Confident	65 Å²	65	34.1 Å²	34.1	39%	0.394	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	107	170.9	178.8	0	0	0	0	106.8	Y684	Y684-V691 HydrophobicContact CD1-CG1 4.07Å; Y684-V691 HydrophobicContact CG-CG1 4.06Å
692	L	84.2	Confident	82.2	Confident	18 Å²	18	32.9 Å²	32.9	9%	0.094	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	143.4	-168.6	-65.7	179.7	0	0	0	111.8	Y684 Y685 Y687 L690 L694 M697 L702 W707	Y684-L692 WeakPolarHBondContact CA-O 3.31Å; Y685-L692 PolarHBondContact N-O 3.41Å; Y685-L692 PolarHBondContact O-N 3.1Å; Y687-L692 HydrophobicContact CD1-CD1 4.36Å; L690-L692 HydrophobicContact CB-CD1 4.1Å; L690-L692 HydrophobicContact CB-CD2 3.84Å; L690-L692 HydrophobicContact CB-CG 3.73Å; L690-L692 HydrophobicContact CD1-CD2 4.46Å; L690-L692 PolarHBondContact O-N 2.95Å; L692-L694 PolarHBondContact O-N 3.25Å; L692-M697 HydrophobicContact CB-SD 3.75Å; L692-M697 HydrophobicContact CD1-CE 4.18Å; L692-M697 HydrophobicContact CD1-SD 4.16Å; L692-M697 HydrophobicContact CD2-CE 4.43Å; L692-M697 HydrophobicContact CD2-SD 4.2Å; L692-M697 HydrophobicContact CG-SD 4.25Å; L692-L702 HydrophobicContact CD1-CD1 3.91Å; L692-W707 HydrophobicContact CD2-CZ2 4.24Å
693	P	91.5	Very high	83.4	Confident	7 Å²	7	30.8 Å²	30.8	5%	0.045	15%	0.148	C	C	.	.			trans	-77.6	60.2	171.8	35.8	-38	0	0	0	110.7	D654 R658 Y684 R695 W696 M697	D654-P693 HydrophobicContact CB-CG 4.37Å; D654-P693 WeakPolarHBondContact OD1-CB 3.49Å; D654-P693 VanDerWaalsContact OD1-CG 3.25Å; D654-P693 WeakPolarHBondContact OD1-CG 3.43Å; R658-P693 VanDerWaalsContact NH2-CB 3.29Å; Y684-P693 HydrophobicContact CD1-CB 4.27Å; Y684-P693 HydrophobicContact CE1-CB 4.11Å; P693-R695 PolarHBondContact O-N 2.85Å; P693-W696 HydrophobicContact CB-CE3 4.18Å; P693-W696 PolarHBondContact O-N 3.25Å; P693-M697 HydrophobicContact CG-CG 4.17Å; P693-M697 HydrophobicContact CG-SD 4.28Å
694	L	92.8	Very high	83.6	Confident	2 Å²	2	35.7 Å²	35.7	1%	0.01	18%	0.175	C	C	.	.	G	3₁₀ helix	trans	-41.7	-41.3	-167.8	172.6	65.5	0	0	0	114.4	Y685 L692 W696 M697 L702 N736 V739 I740 L743	Y685-L694 HydrophobicContact CD1-CD2 3.8Å; Y685-L694 HydrophobicContact CE1-CD2 4.47Å; Y685-L694 HydrophobicContact CG-CD2 4.19Å; L692-L694 PolarHBondContact O-N 3.25Å; L694-W696 VanDerWaalsContact C-N 3.27Å; L694-W696 PolarHBondContact O-N 2.98Å; L694-M697 PolarHBondContact O-N 3.41Å; L694-L702 HydrophobicContact CD1-CD1 4.1Å; L694-L702 HydrophobicContact CD1-CD2 3.6Å; L694-N736 HydrophobicContact CD2-CB 3.74Å; L694-V739 HydrophobicContact CD1-CG1 4.47Å; L694-V739 HydrophobicContact CD2-CB 4.4Å; L694-V739 HydrophobicContact CD2-CG1 4.27Å; L694-V739 HydrophobicContact CG-CG1 4.09Å; L694-I740 HydrophobicContact CD1-CD1 4.44Å; L694-I740 HydrophobicContact CD1-CG1 3.77Å; L694-I740 HydrophobicContact CD2-CD1 4.21Å; L694-I740 HydrophobicContact CD2-CG1 3.99Å; L694-L743 HydrophobicContact CD1-CD1 4.3Å
695	R	95.1	Very high	83.7	Confident	17 Å²	17	38.8 Å²	38.8	6%	0.064	19%	0.193	C	C	.	.	G	3₁₀ helix	trans	-77	-8.7	-174.2	-66.7	166.5	-178.5	-81.1	-6.4	114.3	P693 P730 Y731 L734 N736	P693-R695 PolarHBondContact O-N 2.85Å; R695-P730 HydrophobicContact CB-CB 4.23Å; R695-P730 VanDerWaalsContact CD-O 3.3Å; R695-P730 WeakPolarHBondContact CD-O 2.99Å; R695-P730 PolarHBondContact NH1-O 2.95Å; R695-Y731 HydrophobicContact CB-CD2 4.26Å; R695-Y731 HydrophobicContact CG-CD2 4.35Å; R695-Y731 PolarHBondContact NH1-O 2.88Å; R695-Y731 WeakPolarHBondContact O-CE2 3.3Å; R695-L734 PolarHBondContact NH2-O 3.41Å; R695-N736 PolarHBondContact NE-OD1 2.88Å; R695-N736 PolarHBondContact NH2-OD1 2.85Å
696	W	97.1	Very high	84	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	20%	0.204	C	C	.	.	G	3₁₀ helix	trans	-108.1	0.2	174.5	-68.1	-103.5	0	0	0	112.6	A656 E683 P693 L694 W714 S715 V718 E722 L729 P730	A656-W696 HydrophobicContact CB-CD2 4.33Å; A656-W696 HydrophobicContact CB-CG 4.24Å; E683-W696 HydrophobicContact CB-CH2 3.91Å; E683-W696 HydrophobicContact CB-CZ3 3.88Å; E683-W696 HydrophobicContact CG-CH2 4.16Å; E683-W696 VanDerWaalsContact OE2-CH2 3.22Å; E683-W696 WeakPolarHBondContact OE2-CH2 3.26Å; P693-W696 HydrophobicContact CB-CE3 4.18Å; P693-W696 PolarHBondContact O-N 3.25Å; L694-W696 VanDerWaalsContact C-N 3.27Å; L694-W696 PolarHBondContact O-N 2.98Å; W696-W714 VanDerWaalsContact O-CD1 3.26Å; W696-S715 WeakPolarHBondContact O-CB 3.01Å; W696-S715 PolarHBondContact O-OG 3.24Å; W696-V718 VanDerWaalsContact CD1-CG1 3.45Å; W696-V718 HydrophobicContact CD2-CG1 4.45Å; W696-V718 HydrophobicContact CG-CB 4.41Å; W696-V718 HydrophobicContact CG-CG1 4.01Å; W696-E722 WeakPolarHBondContact CZ2-OE1 3.34Å; W696-E722 PolarHBondContact NE1-OE2 2.99Å; W696-L729 HydrophobicContact CH2-CD1 3.84Å; W696-L729 HydrophobicContact CZ3-CD1 4.4Å; W696-P730 HydrophobicContact CH2-CG 4.27Å; W696-P730 HydrophobicContact CZ2-CG 3.77Å
697	M	95.5	Very high	84.9	Confident	2 Å²	2	38.9 Å²	38.9	1%	0.01	19%	0.192	C	C	.	.			trans	-98.4	139.9	-174.9	-67.7	179.4	62.9	0	0	112.2	L692 P693 L694 A701 L702 W707	L692-M697 HydrophobicContact CB-SD 3.75Å; L692-M697 HydrophobicContact CD1-CE 4.18Å; L692-M697 HydrophobicContact CD1-SD 4.16Å; L692-M697 HydrophobicContact CD2-CE 4.43Å; L692-M697 HydrophobicContact CD2-SD 4.2Å; L692-M697 HydrophobicContact CG-SD 4.25Å; P693-M697 HydrophobicContact CG-CG 4.17Å; P693-M697 HydrophobicContact CG-SD 4.28Å; L694-M697 PolarHBondContact O-N 3.41Å; M697-A701 HydrophobicContact CE-CB 4Å; M697-L702 HydrophobicContact CE-CB 4.13Å; M697-L702 HydrophobicContact CE-CD1 4.25Å; M697-W707 HydrophobicContact CE-CH2 3.33Å; M697-W707 HydrophobicContact CE-CZ2 3.53Å; M697-W707 HydrophobicContact CE-CZ3 4.17Å; M697-W707 HydrophobicContact CG-CH2 4.31Å; M697-W707 HydrophobicContact SD-CH2 3.86Å; M697-W707 HydrophobicContact SD-CZ2 4.46Å
698	P	96.9	Very high	85.8	Confident	1 Å²	1	38.5 Å²	38.5	1%	0.006	20%	0.195	C	C	.	.			trans	-78.1	170.9	166.8	34.9	-37.4	0	0	0	112.2	E700 A701 L702 W714	P698-E700 WeakPolarHBondContact CB-OE1 3.39Å; P698-E700 WeakPolarHBondContact CB-OE2 3.26Å; P698-E700 WeakPolarHBondContact CG-OE1 3.47Å; P698-A701 HydrophobicContact CG-CB 3.91Å; P698-L702 PolarHBondContact O-N 2.88Å; P698-W714 HydrophobicContact CB-CB 4.1Å; P698-W714 HydrophobicContact CB-CD2 3.59Å; P698-W714 HydrophobicContact CB-CE3 3.68Å; P698-W714 HydrophobicContact CB-CG 3.78Å; P698-W714 HydrophobicContact CB-CZ3 4.27Å; P698-W714 HydrophobicContact CG-CB 4.18Å; P698-W714 HydrophobicContact CG-CG 4.24Å
699	D	94.2	Very high	87	Confident	15 Å²	15	35.1 Å²	35.1	8%	0.08	18%	0.184	C	C	.	.	H	α-helix	trans	-65.4	-38.8	-178.6	63.2	-32.4	0	0	0	112.6	A701 L702 F703 L743 R746	D699-A701 PolarHBondContact O-N 2.83Å; D699-L702 PolarHBondContact O-N 2.71Å; D699-F703 HydrophobicContact CB-CD2 3.88Å; D699-F703 HydrophobicContact CB-CE2 3.95Å; D699-F703 VanDerWaalsContact O-CD2 3.3Å; D699-F703 WeakPolarHBondContact O-CD2 3.37Å; D699-F703 PolarHBondContact O-N 3.02Å; D699-L743 HydrophobicContact CB-CB 4.47Å; D699-R746 IonicContact OD2-CZ 2.6Å; D699-R746 IonicContact OD2-NE 2.71Å; D699-R746 PolarHBondContact OD2-NE 2.66Å; D699-R746 IonicContact OD2-NH2 3.26Å
700	E	93.9	Very high	88.9	Confident	16 Å²	16	35.2 Å²	35.2	8%	0.075	18%	0.183	C	C	.	.	H	α-helix	trans	-64.9	-38.8	-179.7	77	-80.7	172	0	0	113.2	P698 D704 D705 D706 R775	P698-E700 WeakPolarHBondContact CB-OE1 3.39Å; P698-E700 WeakPolarHBondContact CB-OE2 3.26Å; P698-E700 WeakPolarHBondContact CG-OE1 3.47Å; E700-D704 CarbonylContact O-C 3.58Å; E700-D704 WeakPolarHBondContact O-CA 3.29Å; E700-D704 WeakPolarHBondContact O-CB 3.34Å; E700-D704 PolarHBondContact O-N 2.9Å; E700-D704 VanDerWaalsContact O-N 3.16Å; E700-D705 PolarHBondContact O-N 3.08Å; E700-D706 HydrophobicContact CB-CB 4.33Å; E700-D706 HydrophobicContact CG-CB 4.37Å; E700-D706 PolarHBondContact O-N 2.84Å; E700-R775 IonicContact OE1-CZ 2.64Å; E700-R775 IonicContact OE1-NH1 2.65Å; E700-R775 PolarHBondContact OE1-NH1 2.9Å; E700-R775 IonicContact OE1-NH2 3.01Å; E700-R775 PolarHBondContact OE1-NH2 2.86Å; E700-R775 IonicContact OE2-CZ 2.71Å; E700-R775 IonicContact OE2-NH1 3.8Å; E700-R775 IonicContact OE2-NH2 3.63Å; E700-R775 PolarHBondContact OE2-NH2 2.71Å
701	A	93.3	Very high	90.3	Very high	3 Å²	3	31.6 Å²	31.6	3%	0.025	16%	0.164	C	C	.	.	H	α-helix	trans	-71.5	-34	177.2	0	0	0	0	0	111.8	M697 P698 D699 W707	M697-A701 HydrophobicContact CE-CB 4Å; P698-A701 HydrophobicContact CG-CB 3.91Å; D699-A701 PolarHBondContact O-N 2.83Å; A701-W707 HydrophobicContact CB-CD2 4.24Å; A701-W707 HydrophobicContact CB-CE3 4.06Å; A701-W707 HydrophobicContact CB-CZ3 4.22Å
702	L	91.2	Very high	91.6	Very high	8 Å²	8	28.6 Å²	28.6	4%	0.042	15%	0.145	C	C	.	.	H	α-helix	trans	-78.6	-45.3	-177.3	-178.8	64.1	0	0	0	113.3	Y687 L692 L694 M697 P698 D699 I740 L743	Y687-L702 HydrophobicContact CD1-CD1 3.54Å; Y687-L702 HydrophobicContact CD1-CG 4.38Å; Y687-L702 HydrophobicContact CE1-CD1 3.86Å; Y687-L702 HydrophobicContact CE1-CG 4.2Å; Y687-L702 HydrophobicContact CG-CD1 4.24Å; L692-L702 HydrophobicContact CD1-CD1 3.91Å; L694-L702 HydrophobicContact CD1-CD1 4.1Å; L694-L702 HydrophobicContact CD1-CD2 3.6Å; M697-L702 HydrophobicContact CE-CB 4.13Å; M697-L702 HydrophobicContact CE-CD1 4.25Å; P698-L702 PolarHBondContact O-N 2.88Å; D699-L702 PolarHBondContact O-N 2.71Å; L702-I740 HydrophobicContact CD2-CG1 4.33Å; L702-L743 HydrophobicContact CD2-CD1 3.66Å
703	F	88.6	Confident	92.2	Very high	40 Å²	40	27.8 Å²	27.8	18%	0.175	14%	0.141	C	C	.	.	H	α-helix	trans	-95.8	-36.7	-171.4	-59.7	-54.2	0	0	0	113.3	R688 D699 I740 L743 K744	R688-F703 PolarHBondContact NH1-O 2.66Å; D699-F703 HydrophobicContact CB-CD2 3.88Å; D699-F703 HydrophobicContact CB-CE2 3.95Å; D699-F703 VanDerWaalsContact O-CD2 3.3Å; D699-F703 WeakPolarHBondContact O-CD2 3.37Å; D699-F703 PolarHBondContact O-N 3.02Å; F703-I740 HydrophobicContact CE1-CG2 4.04Å; F703-I740 HydrophobicContact CZ-CG2 4.08Å; F703-L743 HydrophobicContact CE2-CB 3.91Å; F703-L743 HydrophobicContact CZ-CB 4.14Å; F703-K744 HydrophobicContact CD2-CG 4.46Å; F703-K744 HydrophobicContact CE1-CD 4.46Å; F703-K744 HydrophobicContact CE1-CG 3.84Å; F703-K744 HydrophobicContact CE2-CB 4.4Å; F703-K744 HydrophobicContact CE2-CG 3.64Å; F703-K744 HydrophobicContact CZ-CB 4.39Å; F703-K744 HydrophobicContact CZ-CD 4.29Å; F703-K744 HydrophobicContact CZ-CG 3.3Å
704	D	81.6	Confident	92.6	Very high	124 Å²	124	27.7 Å²	27.7	66%	0.663	14%	0.14	S	C	*	.	S	Bend	trans	-102.9	-5.1	-173.6	-56.1	-38.1	0	0	0	113	E700 D706	E700-D704 CarbonylContact O-C 3.58Å; E700-D704 WeakPolarHBondContact O-CA 3.29Å; E700-D704 WeakPolarHBondContact O-CB 3.34Å; E700-D704 PolarHBondContact O-N 2.9Å; E700-D704 VanDerWaalsContact O-N 3.16Å; D704-D706 HydrophobicContact CB-CB 4.39Å; D704-D706 PolarHBondContact O-N 3.37Å
705	D	80.4	Confident	92.8	Very high	87 Å²	87	27.8 Å²	27.8	47%	0.465	14%	0.141	S	C	.	.			trans	57.4	26.2	-173.7	-160	32.5	0	0	0	112.4	E700 W707	E700-D705 PolarHBondContact O-N 3.08Å; D705-W707 PolarHBondContact O-N 3.4Å; D705-W707 VanDerWaalsContact O-N 3.15Å; D705-W707 VanDerWaalsContact OD1-CD1 3.26Å; D705-W707 PolarHBondContact OD1-NE1 3.24Å
706	D	82.7	Confident	93	Very high	85 Å²	85	27 Å²	27	46%	0.455	14%	0.138	S	C	.	.			trans	-86.2	80.6	-180	-172.2	14	0	0	0	110.7	E700 D704	E700-D706 HydrophobicContact CB-CB 4.33Å; E700-D706 HydrophobicContact CG-CB 4.37Å; E700-D706 PolarHBondContact O-N 2.84Å; D704-D706 HydrophobicContact CB-CB 4.39Å; D704-D706 PolarHBondContact O-N 3.37Å
707	W	88.4	Confident	93	Very high	49 Å²	49	27 Å²	27	19%	0.186	14%	0.138	C	C	.	.			trans	-81.1	119.6	175.1	-64.1	91.6	0	0	0	111.1	V651 K653 L692 M697 A701 D705	V651-W707 HydrophobicContact CG1-CB 4.26Å; K653-W707 HydrophobicContact CB-CD2 4.32Å; K653-W707 HydrophobicContact CB-CE3 3.63Å; K653-W707 HydrophobicContact CB-CH2 4.02Å; K653-W707 HydrophobicContact CB-CZ3 3.46Å; K653-W707 VanDerWaalsContact CB-CZ3 3.46Å; K653-W707 HydrophobicContact CD-CD2 3.83Å; K653-W707 HydrophobicContact CD-CE3 3.98Å; K653-W707 HydrophobicContact CD-CG 4.1Å; K653-W707 HydrophobicContact CD-CZ3 4.45Å; K653-W707 HydrophobicContact CG-CD2 3.86Å; K653-W707 HydrophobicContact CG-CE3 3.48Å; K653-W707 VanDerWaalsContact CG-CE3 3.48Å; K653-W707 HydrophobicContact CG-CG 4.36Å; K653-W707 HydrophobicContact CG-CZ3 3.9Å; K653-W707 WeakPolarHBondContact O-CZ3 3.48Å; L692-W707 HydrophobicContact CD2-CZ2 4.24Å; M697-W707 HydrophobicContact CE-CH2 3.33Å; M697-W707 HydrophobicContact CE-CZ2 3.53Å; M697-W707 HydrophobicContact CE-CZ3 4.17Å; M697-W707 HydrophobicContact CG-CH2 4.31Å; M697-W707 HydrophobicContact SD-CH2 3.86Å; M697-W707 HydrophobicContact SD-CZ2 4.46Å; A701-W707 HydrophobicContact CB-CD2 4.24Å; A701-W707 HydrophobicContact CB-CE3 4.06Å; A701-W707 HydrophobicContact CB-CZ3 4.22Å; D705-W707 PolarHBondContact O-N 3.4Å; D705-W707 VanDerWaalsContact O-N 3.15Å; D705-W707 VanDerWaalsContact OD1-CD1 3.26Å; D705-W707 PolarHBondContact OD1-NE1 3.24Å
708	S	91.1	Very high	93.1	Very high	31 Å²	31	26.9 Å²	26.9	22%	0.217	14%	0.137	C	C	.	.			trans	-142.7	169.5	179.4	69.8	0	0	0	0	112	V651 K710 S711 D712	V651-S708 WeakPolarHBondContact CG1-O 3.41Å; S708-K710 PolarHBondContact O-N 3.01Å; S708-K710 VanDerWaalsContact O-N 3.11Å; S708-K710 PolarHBondContact OG-N 2.86Å; S708-S711 PolarHBondContact N-OG 2.61Å; S708-S711 VanDerWaalsContact N-OG 3.11Å; S708-S711 WeakPolarHBondContact O-CA 3.47Å; S708-S711 WeakPolarHBondContact O-CB 3.3Å; S708-S711 PolarHBondContact O-N 3.34Å; S708-S711 PolarHBondContact O-OG 3.35Å; S708-S711 PolarHBondContact OG-N 2.93Å; S708-D712 PolarHBondContact O-N 2.87Å
709	M	93.5	Very high	93.2	Very high	44 Å²	44	26.8 Å²	26.8	22%	0.217	14%	0.137	C	C	.	.	H	α-helix	trans	-51.9	-34.3	170	-52.3	-67.2	-177.2	0	0	112.2	S646 F650 S711 D712 V713	S646-M709 WeakPolarHBondContact CA-SD 3.46Å; S646-M709 WeakPolarHBondContact O-CE 3.43Å; F650-M709 VanDerWaalsContact O-SD 3.42Å; M709-S711 VanDerWaalsContact C-N 3.28Å; M709-S711 PolarHBondContact O-N 3.17Å; M709-D712 WeakPolarHBondContact O-CB 3.43Å; M709-D712 PolarHBondContact O-N 3.15Å; M709-V713 WeakPolarHBondContact O-CG2 3.43Å; M709-V713 PolarHBondContact O-N 3.45Å
710	K	97.3	Very high	93.3	Very high	49 Å²	49	26.1 Å²	26.1	21%	0.213	13%	0.133	C	C	.	.	H	α-helix	trans	-71.1	-26.4	-179.7	-61.5	-66.6	-171.5	135.7	0	111.8	S708 V713 W714 S772 K773 R775	S708-K710 PolarHBondContact O-N 3.01Å; S708-K710 VanDerWaalsContact O-N 3.11Å; S708-K710 PolarHBondContact OG-N 2.86Å; K710-V713 PolarHBondContact O-N 2.84Å; K710-W714 PolarHBondContact O-N 2.85Å; K710-S772 VanDerWaalsContact CD-O 3.3Å; K710-S772 WeakPolarHBondContact CD-O 3.43Å; K710-S772 WeakPolarHBondContact CG-O 3.18Å; K710-K773 PolarHBondContact NZ-O 2.98Å; K710-R775 HydrophobicContact CD-CB 4.25Å; K710-R775 PolarHBondContact NZ-O 2.96Å; K710-R775 WeakPolarHBondContact O-CD 3.5Å; K710-R775 PolarHBondContact O-NH1 2.96Å
711	S	96.7	Very high	93.5	Very high	1 Å²	1	25.5 Å²	25.5	1%	0.007	13%	0.13	C	C	.	.	H	α-helix	trans	-70.9	-38.5	170.5	70.3	0	0	0	0	111.7	S708 M709 V713 W714 S715	S708-S711 PolarHBondContact N-OG 2.61Å; S708-S711 VanDerWaalsContact N-OG 3.11Å; S708-S711 WeakPolarHBondContact O-CA 3.47Å; S708-S711 WeakPolarHBondContact O-CB 3.3Å; S708-S711 PolarHBondContact O-N 3.34Å; S708-S711 PolarHBondContact O-OG 3.35Å; S708-S711 PolarHBondContact OG-N 2.93Å; M709-S711 VanDerWaalsContact C-N 3.28Å; M709-S711 PolarHBondContact O-N 3.17Å; S711-V713 VanDerWaalsContact C-N 3.32Å; S711-V713 PolarHBondContact O-N 2.64Å; S711-W714 WeakPolarHBondContact O-CB 3.42Å; S711-W714 PolarHBondContact O-N 3.06Å; S711-S715 PolarHBondContact O-N 3.26Å; S711-S715 PolarHBondContact O-OG 3.28Å
712	D	97.1	Very high	93.7	Very high	1 Å²	1	25.3 Å²	25.3	1%	0.005	13%	0.129	C	C	.	.	H	α-helix	trans	-66.4	-33.4	171.7	-70.2	-27.2	0	0	0	112.1	M642 V651 H652 K653 S708 M709 W714 S715 F716 F778	M642-D712 HydrophobicContact CE-CB 3.76Å; V651-D712 WeakPolarHBondContact CA-OD2 3.45Å; V651-D712 WeakPolarHBondContact CG1-OD2 3.41Å; H652-D712 PolarHBondContact N-OD1 3.48Å; H652-D712 PolarHBondContact N-OD2 3.48Å; K653-D712 PolarHBondContact N-OD1 3.2Å; S708-D712 PolarHBondContact O-N 2.87Å; M709-D712 WeakPolarHBondContact O-CB 3.43Å; M709-D712 PolarHBondContact O-N 3.15Å; D712-W714 VanDerWaalsContact C-N 3.32Å; D712-W714 PolarHBondContact O-N 3.42Å; D712-S715 CarbonylContact O-C 3.55Å; D712-S715 WeakPolarHBondContact O-CB 3.16Å; D712-S715 PolarHBondContact O-N 3.2Å; D712-F716 WeakPolarHBondContact O-CB 3.48Å; D712-F716 PolarHBondContact O-N 3.46Å; D712-F778 HydrophobicContact CB-CE2 3.85Å; D712-F778 HydrophobicContact CB-CZ 3.86Å
713	V	98.3	Very high	93.9	Very high	1 Å²	1	25 Å²	25	1%	0.006	13%	0.127	C	C	.	.	H	α-helix	trans	-63.9	-37.5	173.8	171.2	0	0	0	0	111.3	M709 K710 S711 F716 G717 C767 R775 P776 F778 L781	M709-V713 WeakPolarHBondContact O-CG2 3.43Å; M709-V713 PolarHBondContact O-N 3.45Å; K710-V713 PolarHBondContact O-N 2.84Å; S711-V713 VanDerWaalsContact C-N 3.32Å; S711-V713 PolarHBondContact O-N 2.64Å; V713-F716 WeakPolarHBondContact O-CB 3.34Å; V713-F716 PolarHBondContact O-N 3.46Å; V713-G717 PolarHBondContact O-N 2.97Å; V713-C767 HydrophobicContact CG1-CB 4.14Å; V713-C767 WeakPolarHBondContact O-CB 2.98Å; V713-R775 HydrophobicContact CG1-CB 3.96Å; V713-P776 HydrophobicContact CG1-CG 4.05Å; V713-P776 WeakPolarHBondContact CG2-O 3.33Å; V713-F778 HydrophobicContact CG2-CD1 4.46Å; V713-F778 HydrophobicContact CG2-CD2 4.08Å; V713-F778 HydrophobicContact CG2-CE1 4.16Å; V713-F778 HydrophobicContact CG2-CE2 3.75Å; V713-F778 HydrophobicContact CG2-CG 4.42Å; V713-F778 HydrophobicContact CG2-CZ 3.79Å; V713-L781 HydrophobicContact CG1-CD1 4.33Å
714	W	98.4	Very high	94.2	Very high	5 Å²	5	24 Å²	24	2%	0.019	13%	0.125	C	C	.	.	H	α-helix	trans	-59.2	-49.4	170.6	175.6	-69.8	0	0	0	110.8	W696 P698 K710 S711 D712 F716 G717 V718 L743 C767 T768	W696-W714 VanDerWaalsContact O-CD1 3.26Å; P698-W714 HydrophobicContact CB-CB 4.1Å; P698-W714 HydrophobicContact CB-CD2 3.59Å; P698-W714 HydrophobicContact CB-CE3 3.68Å; P698-W714 HydrophobicContact CB-CG 3.78Å; P698-W714 HydrophobicContact CB-CZ3 4.27Å; P698-W714 HydrophobicContact CG-CB 4.18Å; P698-W714 HydrophobicContact CG-CG 4.24Å; K710-W714 PolarHBondContact O-N 2.85Å; S711-W714 WeakPolarHBondContact O-CB 3.42Å; S711-W714 PolarHBondContact O-N 3.06Å; D712-W714 VanDerWaalsContact C-N 3.32Å; D712-W714 PolarHBondContact O-N 3.42Å; W714-F716 PolarHBondContact O-N 3.31Å; W714-G717 WeakPolarHBondContact O-CA 3.37Å; W714-G717 PolarHBondContact O-N 3.41Å; W714-V718 PolarHBondContact O-N 2.98Å; W714-V718 VanDerWaalsContact O-N 3.13Å; W714-L743 HydrophobicContact CH2-CD2 4.43Å; W714-L743 HydrophobicContact CZ2-CD2 4.17Å; W714-C767 WeakPolarHBondContact CA-O 3.48Å; W714-T768 HydrophobicContact CD2-CG2 4.31Å; W714-T768 VanDerWaalsContact CZ3-O 3.28Å; W714-T768 WeakPolarHBondContact CZ3-O 3.3Å
715	S	98	Very high	94.8	Very high	4 Å²	4	18.7 Å²	18.7	3%	0.028	10%	0.097	C	C	.	.	H	α-helix	trans	-60.7	-34.2	177.5	-48.2	0	0	0	0	112	F655 W696 S711 D712 V718 F719	F655-S715 VanDerWaalsContact O-CB 3.29Å; F655-S715 WeakPolarHBondContact O-CB 3.41Å; W696-S715 WeakPolarHBondContact O-CB 3.01Å; W696-S715 PolarHBondContact O-OG 3.24Å; S711-S715 PolarHBondContact O-N 3.26Å; S711-S715 PolarHBondContact O-OG 3.28Å; D712-S715 CarbonylContact O-C 3.55Å; D712-S715 WeakPolarHBondContact O-CB 3.16Å; D712-S715 PolarHBondContact O-N 3.2Å; S715-V718 PolarHBondContact O-N 3.24Å; S715-F719 WeakPolarHBondContact O-CB 3.47Å; S715-F719 PolarHBondContact O-N 3.03Å
716	F	98.3	Very high	95.2	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-63.1	-40.1	172.2	-171.3	-90.1	0	0	0	112.2	T638 F655 D712 V713 W714 V718 F719 L720 F778 L781 F785	T638-F716 WeakPolarHBondContact OG1-CE2 3.18Å; F655-F716 HydrophobicContact CD1-CB 4.15Å; F655-F716 HydrophobicContact CD1-CD2 4.18Å; F655-F716 HydrophobicContact CE1-CB 4.08Å; F655-F716 AromaticContact CE1-CD2 3.37Å; F655-F716 HydrophobicContact CE1-CD2 3.37Å; F655-F716 HydrophobicContact CE1-CE2 4.17Å; F655-F716 HydrophobicContact CE1-CG 4.1Å; F655-F716 AromaticContact CZ-CD2 3.79Å; F655-F716 HydrophobicContact CZ-CD2 3.79Å; F655-F716 HydrophobicContact CZ-CE2 4.23Å; D712-F716 WeakPolarHBondContact O-CB 3.48Å; D712-F716 PolarHBondContact O-N 3.46Å; V713-F716 WeakPolarHBondContact O-CB 3.34Å; V713-F716 PolarHBondContact O-N 3.46Å; W714-F716 PolarHBondContact O-N 3.31Å; F716-V718 VanDerWaalsContact C-N 3.33Å; F716-V718 PolarHBondContact O-N 3.48Å; F716-F719 HydrophobicContact CD2-CD1 4.26Å; F716-F719 HydrophobicContact CE2-CD1 4.21Å; F716-F719 HydrophobicContact CE2-CE1 4.44Å; F716-F719 WeakPolarHBondContact O-CB 3.28Å; F716-F719 PolarHBondContact O-N 3.38Å; F716-L720 HydrophobicContact CD1-CD1 4.1Å; F716-L720 HydrophobicContact CD1-CG 4.1Å; F716-L720 HydrophobicContact CE1-CD1 3.79Å; F716-L720 HydrophobicContact CE1-CD2 3.86Å; F716-L720 HydrophobicContact CE1-CG 3.84Å; F716-L720 HydrophobicContact CZ-CD2 4.08Å; F716-L720 HydrophobicContact CZ-CG 4.5Å; F716-L720 WeakPolarHBondContact O-CG 3.15Å; F716-L720 PolarHBondContact O-N 3.35Å; F716-F778 HydrophobicContact CB-CE1 3.88Å; F716-F778 HydrophobicContact CB-CZ 4.3Å; F716-F778 AromaticContact CD2-CE1 3.75Å; F716-F778 HydrophobicContact CD2-CE1 3.75Å; F716-F778 HydrophobicContact CE2-CE1 4.48Å; F716-F778 AromaticContact CG-CE1 3.87Å; F716-F778 HydrophobicContact CG-CE1 3.87Å; F716-L781 HydrophobicContact CD1-CD1 3.72Å; F716-L781 HydrophobicContact CE1-CD1 3.9Å; F716-L781 HydrophobicContact CE1-CD2 4.43Å; F716-L781 HydrophobicContact CG-CD1 4.33Å; F716-F785 AromaticContact CE1-CE2 3.85Å; F716-F785 HydrophobicContact CE1-CE2 3.85Å; F716-F785 HydrophobicContact CE1-CZ 4.19Å; F716-F785 AromaticContact CZ-CE2 3.81Å; F716-F785 HydrophobicContact CZ-CE2 3.81Å; F716-F785 HydrophobicContact CZ-CZ 4.38Å
717	G	98	Very high	95.6	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-59.4	-42.5	171.9	0	0	0	0	0	112.8	V713 W714 L720 W721 C767	V713-G717 PolarHBondContact O-N 2.97Å; W714-G717 WeakPolarHBondContact O-CA 3.37Å; W714-G717 PolarHBondContact O-N 3.41Å; G717-L720 PolarHBondContact O-N 3.02Å; G717-W721 PolarHBondContact O-N 3.04Å; G717-C767 VanDerWaalsContact CA-CB 3.46Å
718	V	98.2	Very high	95.6	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-66.6	-37.8	174.6	-175.6	0	0	0	0	111.3	W696 W714 S715 F716 W721 E722 P730 L750 T768	W696-V718 VanDerWaalsContact CD1-CG1 3.45Å; W696-V718 HydrophobicContact CD2-CG1 4.45Å; W696-V718 HydrophobicContact CG-CB 4.41Å; W696-V718 HydrophobicContact CG-CG1 4.01Å; W714-V718 PolarHBondContact O-N 2.98Å; W714-V718 VanDerWaalsContact O-N 3.13Å; S715-V718 PolarHBondContact O-N 3.24Å; F716-V718 VanDerWaalsContact C-N 3.33Å; F716-V718 PolarHBondContact O-N 3.48Å; V718-W721 CarbonylContact O-C 3.53Å; V718-W721 WeakPolarHBondContact O-CA 3.3Å; V718-W721 VanDerWaalsContact O-CB 3.32Å; V718-W721 WeakPolarHBondContact O-CB 3.27Å; V718-W721 PolarHBondContact O-N 3.47Å; V718-E722 PolarHBondContact O-N 3.2Å; V718-P730 HydrophobicContact CG1-CB 3.91Å; V718-P730 HydrophobicContact CG1-CG 3.39Å; V718-L750 HydrophobicContact CG2-CD1 4.31Å; V718-T768 HydrophobicContact CG2-CG2 4.4Å
719	F	97.9	Very high	95.4	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-61	-45.4	174.6	163.8	-104.5	0	0	0	112.9	L601 I634 T638 F655 A657 V660 S715 F716 W721 E722 M723	L601-F719 HydrophobicContact CD2-CE2 3.7Å; L601-F719 HydrophobicContact CD2-CZ 3.88Å; I634-F719 HydrophobicContact CG2-CZ 4.15Å; T638-F719 HydrophobicContact CG2-CE1 4.17Å; T638-F719 HydrophobicContact CG2-CZ 3.96Å; T638-F719 WeakPolarHBondContact OG1-CE1 3.35Å; F655-F719 HydrophobicContact CD1-CB 4.11Å; F655-F719 HydrophobicContact CD1-CG 4.48Å; F655-F719 HydrophobicContact CE1-CB 3.62Å; F655-F719 AromaticContact CE1-CD1 3.66Å; F655-F719 HydrophobicContact CE1-CD1 3.66Å; F655-F719 HydrophobicContact CE1-CD2 4.27Å; F655-F719 HydrophobicContact CE1-CE1 4.39Å; F655-F719 AromaticContact CE1-CG 3.57Å; F655-F719 HydrophobicContact CE1-CG 3.57Å; F655-F719 AromaticContact CZ-CD1 3.99Å; F655-F719 HydrophobicContact CZ-CD1 3.99Å; F655-F719 HydrophobicContact CZ-CD2 4.5Å; F655-F719 HydrophobicContact CZ-CE1 4.27Å; F655-F719 HydrophobicContact CZ-CG 4.1Å; A657-F719 HydrophobicContact CB-CD2 3.98Å; A657-F719 HydrophobicContact CB-CE2 4.14Å; V660-F719 HydrophobicContact CB-CE2 4.47Å; V660-F719 HydrophobicContact CG2-CE2 3.89Å; V660-F719 HydrophobicContact CG2-CZ 4.29Å; S715-F719 WeakPolarHBondContact O-CB 3.47Å; S715-F719 PolarHBondContact O-N 3.03Å; F716-F719 HydrophobicContact CD2-CD1 4.26Å; F716-F719 HydrophobicContact CE2-CD1 4.21Å; F716-F719 HydrophobicContact CE2-CE1 4.44Å; F716-F719 WeakPolarHBondContact O-CB 3.28Å; F716-F719 PolarHBondContact O-N 3.38Å; F719-W721 PolarHBondContact O-N 2.65Å; F719-E722 WeakPolarHBondContact O-CB 3.41Å; F719-E722 PolarHBondContact O-N 3.4Å; F719-E722 VanDerWaalsContact O-N 3.12Å; F719-M723 HydrophobicContact CD1-SD 4.41Å; F719-M723 HydrophobicContact CE1-CG 4.48Å; F719-M723 HydrophobicContact CE1-SD 3.63Å; F719-M723 HydrophobicContact CE2-CG 4.15Å; F719-M723 HydrophobicContact CE2-SD 4.15Å; F719-M723 HydrophobicContact CZ-CG 4.08Å; F719-M723 HydrophobicContact CZ-SD 3.48Å; F719-M723 WeakPolarHBondContact CZ-SD 3.27Å; F719-M723 PolarHBondContact O-N 2.88Å
720	L	97.4	Very high	95.4	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-59.5	-38.5	174.1	-64.4	-179.5	0	0	0	111.2	A635 F716 G717 M723 C724 W760 L763 V764 F785	A635-L720 HydrophobicContact CB-CD2 3.82Å; F716-L720 HydrophobicContact CD1-CD1 4.1Å; F716-L720 HydrophobicContact CD1-CG 4.1Å; F716-L720 HydrophobicContact CE1-CD1 3.79Å; F716-L720 HydrophobicContact CE1-CD2 3.86Å; F716-L720 HydrophobicContact CE1-CG 3.84Å; F716-L720 HydrophobicContact CZ-CD2 4.08Å; F716-L720 HydrophobicContact CZ-CG 4.5Å; F716-L720 WeakPolarHBondContact O-CG 3.15Å; F716-L720 PolarHBondContact O-N 3.35Å; G717-L720 PolarHBondContact O-N 3.02Å; L720-M723 PolarHBondContact O-N 2.87Å; L720-C724 PolarHBondContact O-N 2.82Å; L720-W760 HydrophobicContact CB-CE3 4.06Å; L720-W760 HydrophobicContact CB-CZ3 3.98Å; L720-W760 HydrophobicContact CD2-CE3 4.18Å; L720-W760 HydrophobicContact CD2-CH2 3.93Å; L720-W760 HydrophobicContact CD2-CZ3 3.55Å; L720-W760 HydrophobicContact CG-CZ3 4.28Å; L720-L763 HydrophobicContact CD1-CB 4.17Å; L720-V764 HydrophobicContact CB-CG2 3.87Å; L720-F785 HydrophobicContact CD1-CZ 4.21Å; L720-F785 HydrophobicContact CD2-CZ 4.09Å
721	W	97.6	Very high	95.2	Very high	3 Å²	3	10.5 Å²	10.5	1%	0.011	5%	0.053	C	C	.	.	H	α-helix	trans	-63.8	-44.3	173.5	179.1	94.2	0	0	0	112	G717 V718 F719 M723 C724 T725 E728 P730 L750 S751 V764	G717-W721 PolarHBondContact O-N 3.04Å; V718-W721 CarbonylContact O-C 3.53Å; V718-W721 WeakPolarHBondContact O-CA 3.3Å; V718-W721 VanDerWaalsContact O-CB 3.32Å; V718-W721 WeakPolarHBondContact O-CB 3.27Å; V718-W721 PolarHBondContact O-N 3.47Å; F719-W721 PolarHBondContact O-N 2.65Å; W721-M723 VanDerWaalsContact C-N 3.28Å; W721-M723 PolarHBondContact O-N 3.24Å; W721-C724 PolarHBondContact O-N 2.78Å; W721-C724 VanDerWaalsContact O-N 3.1Å; W721-T725 HydrophobicContact CD2-CG2 3.91Å; W721-T725 VanDerWaalsContact CE2-CG2 3.49Å; W721-T725 HydrophobicContact CE3-CG2 4.32Å; W721-T725 HydrophobicContact CG-CG2 4.47Å; W721-T725 HydrophobicContact CH2-CG2 3.98Å; W721-T725 HydrophobicContact CZ2-CG2 3.56Å; W721-T725 HydrophobicContact CZ3-CG2 4.34Å; W721-T725 WeakPolarHBondContact CZ3-OG1 3.5Å; W721-T725 PolarHBondContact O-N 3.42Å; W721-T725 PolarHBondContact O-OG1 2.85Å; W721-T725 VanDerWaalsContact O-OG1 3.06Å; W721-E728 HydrophobicContact CH2-CB 3.69Å; W721-E728 HydrophobicContact CZ3-CB 4.02Å; W721-E728 WeakPolarHBondContact CZ3-O 3.39Å; W721-P730 HydrophobicContact CE3-CB 4.37Å; W721-P730 HydrophobicContact CE3-CG 4.15Å; W721-P730 HydrophobicContact CZ3-CB 4.06Å; W721-P730 HydrophobicContact CZ3-CG 3.9Å; W721-L750 HydrophobicContact CB-CD1 3.88Å; W721-L750 HydrophobicContact CD2-CD2 3.98Å; W721-L750 HydrophobicContact CE3-CD2 4.41Å; W721-L750 HydrophobicContact CG-CB 4.42Å; W721-L750 HydrophobicContact CG-CD1 3.93Å; W721-L750 HydrophobicContact CG-CD2 4.13Å; W721-L750 HydrophobicContact CG-CG 4.39Å; W721-S751 PolarHBondContact NE1-O 3.42Å; W721-V764 HydrophobicContact CB-CG1 4.45Å
722	E	96.7	Very high	94.7	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-57	-41.1	175.6	-72.5	-174	99.2	0	0	111.5	K602 A657 W696 V718 F719 C724 T725 M726 G727 P730	K602-E722 IonicContact NZ-OE1 3.36Å; K602-E722 PolarHBondContact NZ-OE1 2.87Å; A657-E722 HydrophobicContact CB-CB 4.15Å; A657-E722 PolarHBondContact N-OE2 3.23Å; W696-E722 WeakPolarHBondContact CZ2-OE1 3.34Å; W696-E722 PolarHBondContact NE1-OE2 2.99Å; V718-E722 PolarHBondContact O-N 3.2Å; F719-E722 WeakPolarHBondContact O-CB 3.41Å; F719-E722 PolarHBondContact O-N 3.4Å; F719-E722 VanDerWaalsContact O-N 3.12Å; E722-C724 VanDerWaalsContact C-N 3.35Å; E722-C724 PolarHBondContact O-N 2.76Å; E722-T725 PolarHBondContact O-N 3.1Å; E722-T725 PolarHBondContact O-OG1 2.94Å; E722-M726 PolarHBondContact O-N 2.9Å; E722-M726 VanDerWaalsContact O-N 3.14Å; E722-G727 PolarHBondContact O-N 3.16Å; E722-P730 HydrophobicContact CG-CG 4.48Å
723	M	96	Very high	94	Very high	1 Å²	1	21.3 Å²	21.3	1%	0.005	12%	0.116	C	C	.	.	H	α-helix	trans	-63	-40.8	176.7	-64.9	-178.9	63.9	0	0	112.1	L601 L605 L626 M631 I634 F719 L720 W721 M726 W760	L601-M723 HydrophobicContact CD2-CG 4.49Å; L605-M723 HydrophobicContact CD1-CG 4.42Å; L626-M723 HydrophobicContact CD1-CE 4.27Å; M631-M723 HydrophobicContact CB-CE 3.82Å; M631-M723 HydrophobicContact CE-CB 3.84Å; M631-M723 HydrophobicContact CG-CE 4Å; M631-M723 WeakPolarHBondContact O-CE 3.47Å; I634-M723 HydrophobicContact CB-CE 3.86Å; I634-M723 HydrophobicContact CD1-CE 4.42Å; I634-M723 HydrophobicContact CG2-CE 3.67Å; I634-M723 HydrophobicContact CG2-SD 4Å; F719-M723 HydrophobicContact CD1-SD 4.41Å; F719-M723 HydrophobicContact CE1-CG 4.48Å; F719-M723 HydrophobicContact CE1-SD 3.63Å; F719-M723 HydrophobicContact CE2-CG 4.15Å; F719-M723 HydrophobicContact CE2-SD 4.15Å; F719-M723 HydrophobicContact CZ-CG 4.08Å; F719-M723 HydrophobicContact CZ-SD 3.48Å; F719-M723 WeakPolarHBondContact CZ-SD 3.27Å; F719-M723 PolarHBondContact O-N 2.88Å; L720-M723 PolarHBondContact O-N 2.87Å; W721-M723 VanDerWaalsContact C-N 3.28Å; W721-M723 PolarHBondContact O-N 3.24Å; M723-M726 PolarHBondContact O-N 2.65Å; M723-W760 HydrophobicContact CE-CH2 4.34Å; M723-W760 HydrophobicContact SD-CH2 4.36Å; M723-W760 HydrophobicContact SD-CZ3 4.45Å
724	C	94.7	Very high	93.3	Very high	20 Å²	20	23.9 Å²	23.9	14%	0.135	13%	0.129	C	C	.	.	H	α-helix	trans	-74.6	-23.9	178.9	-69.6	0	0	0	0	114.1	M631 L720 W721 E722 M756	M631-C724 HydrophobicContact CE-CB 4.48Å; M631-C724 VanDerWaalsContact CE-SG 3.58Å; L720-C724 PolarHBondContact O-N 2.82Å; W721-C724 PolarHBondContact O-N 2.78Å; W721-C724 VanDerWaalsContact O-N 3.1Å; E722-C724 VanDerWaalsContact C-N 3.35Å; E722-C724 PolarHBondContact O-N 2.76Å; C724-M756 HydrophobicContact CB-CE 3.37Å; C724-M756 HydrophobicContact CB-CG 4.36Å
725	T	93.4	Very high	92.4	Very high	11 Å²	11	26.3 Å²	26.3	7%	0.067	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.4	12.6	176.4	59.5	0	0	0	0	112.8	R609 W721 E722 G727 E728 P753	R609-T725 PolarHBondContact NH2-O 2.58Å; R609-T725 VanDerWaalsContact NH2-O 3.12Å; W721-T725 HydrophobicContact CD2-CG2 3.91Å; W721-T725 VanDerWaalsContact CE2-CG2 3.49Å; W721-T725 HydrophobicContact CE3-CG2 4.32Å; W721-T725 HydrophobicContact CG-CG2 4.47Å; W721-T725 HydrophobicContact CH2-CG2 3.98Å; W721-T725 HydrophobicContact CZ2-CG2 3.56Å; W721-T725 HydrophobicContact CZ3-CG2 4.34Å; W721-T725 WeakPolarHBondContact CZ3-OG1 3.5Å; W721-T725 PolarHBondContact O-N 3.42Å; W721-T725 PolarHBondContact O-OG1 2.85Å; W721-T725 VanDerWaalsContact O-OG1 3.06Å; E722-T725 PolarHBondContact O-N 3.1Å; E722-T725 PolarHBondContact O-OG1 2.94Å; T725-G727 PolarHBondContact O-N 3.29Å; T725-E728 WeakPolarHBondContact O-CG 3.48Å; T725-E728 PolarHBondContact O-N 3.4Å; T725-P753 HydrophobicContact CG2-CG 3.67Å
726	M	90.4	Very high	91.7	Very high	46 Å²	46	28.3 Å²	28.3	23%	0.227	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.9	40.3	-179.8	-57.8	-69.6	-77.3	0	0	112.2	L605 S608 R609 P625 E722 M723	L605-M726 CarbonylContact C-O 3.51Å; L605-M726 HydrophobicContact CD2-SD 4.29Å; L605-M726 WeakPolarHBondContact O-CE 3.35Å; S608-M726 VanDerWaalsContact CB-CE 3.41Å; R609-M726 HydrophobicContact CG-CB 3.96Å; R609-M726 VanDerWaalsContact CZ-O 3.25Å; R609-M726 PolarHBondContact NE-O 2.87Å; R609-M726 PolarHBondContact NH2-O 3.43Å; P625-M726 HydrophobicContact CB-CE 3.89Å; P625-M726 HydrophobicContact CG-CE 4.27Å; E722-M726 PolarHBondContact O-N 2.9Å; E722-M726 VanDerWaalsContact O-N 3.14Å; M723-M726 PolarHBondContact O-N 2.65Å
727	G	89.4	Confident	91	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	18%	0.182	C	C	.	.	S	Bend	trans	78.2	32.5	175.6	0	0	0	0	0	114.9	Q606 E722 T725	Q606-G727 PolarHBondContact NE2-O 2.88Å; E722-G727 PolarHBondContact O-N 3.16Å; T725-G727 PolarHBondContact O-N 3.29Å
728	E	89.2	Confident	90.4	Very high	62 Å²	62	37.7 Å²	37.7	29%	0.29	20%	0.204	S	C	.	.	P	Polyproline II helix	trans	-64.2	158.4	170.7	-75.2	-178.2	-172.7	0	0	111.7	R609 W721 T725	R609-E728 VanDerWaalsContact NH2-N 3.13Å; W721-E728 HydrophobicContact CH2-CB 3.69Å; W721-E728 HydrophobicContact CZ3-CB 4.02Å; W721-E728 WeakPolarHBondContact CZ3-O 3.39Å; T725-E728 WeakPolarHBondContact O-CG 3.48Å; T725-E728 PolarHBondContact O-N 3.4Å
729	L	87	Confident	90	Very high	51 Å²	51	37.7 Å²	37.7	27%	0.267	20%	0.204	S	C	.	.	P	Polyproline II helix	trans	-76.8	125	171	-176.5	69.2	0	0	0	109	E683 W696 Y731 Q732	E683-L729 HydrophobicContact CG-CD1 4.02Å; W696-L729 HydrophobicContact CH2-CD1 3.84Å; W696-L729 HydrophobicContact CZ3-CD1 4.4Å; L729-Y731 PolarHBondContact O-N 3.37Å; L729-Q732 HydrophobicContact CB-CB 4.22Å; L729-Q732 WeakPolarHBondContact O-CB 3.38Å; L729-Q732 PolarHBondContact O-N 2.9Å
730	P	94.3	Very high	89.6	Confident	0 Å²	0	37.9 Å²	37.9	0%	0	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	136.1	178.3	-20.4	30.7	0	0	0	111.3	R695 W696 V718 W721 E722 Q732 L750	R695-P730 HydrophobicContact CB-CB 4.23Å; R695-P730 VanDerWaalsContact CD-O 3.3Å; R695-P730 WeakPolarHBondContact CD-O 2.99Å; R695-P730 PolarHBondContact NH1-O 2.95Å; W696-P730 HydrophobicContact CH2-CG 4.27Å; W696-P730 HydrophobicContact CZ2-CG 3.77Å; V718-P730 HydrophobicContact CG1-CB 3.91Å; V718-P730 HydrophobicContact CG1-CG 3.39Å; W721-P730 HydrophobicContact CE3-CB 4.37Å; W721-P730 HydrophobicContact CE3-CG 4.15Å; W721-P730 HydrophobicContact CZ3-CB 4.06Å; W721-P730 HydrophobicContact CZ3-CG 3.9Å; E722-P730 HydrophobicContact CG-CG 4.48Å; P730-Q732 VanDerWaalsContact C-N 3.26Å; P730-Q732 PolarHBondContact O-N 2.81Å; P730-L750 HydrophobicContact CB-CD2 4.01Å
731	Y	92.6	Very high	89.2	Confident	14 Å²	14	41.1 Å²	41.1	6%	0.055	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	57	33	-179.3	-35.7	-76.1	0	0	0	114.2	R695 L729 S733 L734 L748 R749 L750	R695-Y731 HydrophobicContact CB-CD2 4.26Å; R695-Y731 HydrophobicContact CG-CD2 4.35Å; R695-Y731 PolarHBondContact NH1-O 2.88Å; R695-Y731 WeakPolarHBondContact O-CE2 3.3Å; L729-Y731 PolarHBondContact O-N 3.37Å; Y731-S733 PolarHBondContact O-N 3.06Å; Y731-L734 PolarHBondContact O-N 2.89Å; Y731-L748 HydrophobicContact CD1-CD1 3.62Å; Y731-L748 HydrophobicContact CD1-CG 4.09Å; Y731-L748 HydrophobicContact CD2-CD1 4.31Å; Y731-L748 HydrophobicContact CD2-CD2 4.26Å; Y731-L748 HydrophobicContact CE1-CD1 3.64Å; Y731-L748 HydrophobicContact CE1-CD2 4Å; Y731-L748 HydrophobicContact CE1-CG 3.55Å; Y731-L748 HydrophobicContact CE2-CD1 4.35Å; Y731-L748 HydrophobicContact CE2-CD2 3.67Å; Y731-L748 HydrophobicContact CE2-CG 4.16Å; Y731-L748 HydrophobicContact CG-CD1 3.96Å; Y731-R749 WeakPolarHBondContact CE1-O 3.38Å; Y731-L750 HydrophobicContact CD1-CD2 4.22Å; Y731-L750 HydrophobicContact CE1-CB 4.48Å; Y731-L750 HydrophobicContact CE1-CD2 3.58Å; Y731-L750 HydrophobicContact CE1-CG 3.9Å; Y731-L750 HydrophobicContact CE2-CD2 4.06Å; Y731-L750 VanDerWaalsContact CZ-CD2 3.48Å
732	Q	84.9	Confident	89	Confident	123 Å²	123	41.4 Å²	41.4	58%	0.575	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.8	-23	-175	65.2	-179.7	9.3	0	0	115.3	L729 P730 L734	L729-Q732 HydrophobicContact CB-CB 4.22Å; L729-Q732 WeakPolarHBondContact O-CB 3.38Å; L729-Q732 PolarHBondContact O-N 2.9Å; P730-Q732 VanDerWaalsContact C-N 3.26Å; P730-Q732 PolarHBondContact O-N 2.81Å; Q732-L734 VanDerWaalsContact C-N 3.29Å
733	S	82.8	Confident	88.9	Confident	107 Å²	107	41.6 Å²	41.6	75%	0.748	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.8	-10.3	175.8	54.7	0	0	0	0	114.2	Y731	Y731-S733 PolarHBondContact O-N 3.06Å
734	L	83.7	Confident	88.6	Confident	55 Å²	55	47 Å²	47	29%	0.288	25%	0.25	S	S	.	.	S	Bend	trans	-107	141.1	-178.5	-56.5	-175.1	0	0	0	111.2	R695 Y731 Q732 Q738 V739 L748	R695-L734 PolarHBondContact NH2-O 3.41Å; Y731-L734 PolarHBondContact O-N 2.89Å; Q732-L734 VanDerWaalsContact C-N 3.29Å; L734-Q738 HydrophobicContact CB-CB 4.16Å; L734-V739 HydrophobicContact CB-CG2 3.85Å; L734-V739 HydrophobicContact CD1-CG2 4.3Å; L734-L748 HydrophobicContact CD1-CD1 4.07Å
735	S	80.8	Confident	88.5	Confident	55 Å²	55	53 Å²	53	39%	0.385	27%	0.27	S	S	.	.			trans	-68.7	162.2	166.1	78.5	0	0	0	0	111.3	D737 Q738 V739	S735-D737 VanDerWaalsContact C-N 3.29Å; S735-D737 PolarHBondContact O-N 2.89Å; S735-Q738 WeakPolarHBondContact O-CB 3.38Å; S735-Q738 PolarHBondContact O-N 2.04Å; S735-Q738 WeakPolarHBondContact OG-CG 3.36Å; S735-Q738 PolarHBondContact OG-N 2.94Å; S735-Q738 PolarHBondContact OG-OE1 3.24Å; S735-V739 WeakPolarHBondContact O-CG2 3.35Å; S735-V739 PolarHBondContact O-N 2.84Å
736	N	82.7	Confident	88.5	Confident	46 Å²	46	60 Å²	60	25%	0.246	30%	0.295	C	S	.	.	H	α-helix	trans	-61.7	-37.4	178.6	-67.4	-14	0	0	0	112.2	Y685 L694 R695 V739 I740	Y685-N736 HydrophobicContact CD1-CB 4.37Å; Y685-N736 HydrophobicContact CD2-CB 3.97Å; Y685-N736 WeakPolarHBondContact CD2-ND2 3.41Å; Y685-N736 HydrophobicContact CE1-CB 4.39Å; Y685-N736 HydrophobicContact CE2-CB 3.98Å; Y685-N736 HydrophobicContact CG-CB 4.14Å; L694-N736 HydrophobicContact CD2-CB 3.74Å; R695-N736 PolarHBondContact NE-OD1 2.88Å; R695-N736 PolarHBondContact NH2-OD1 2.85Å; N736-V739 PolarHBondContact O-N 2.94Å; N736-I740 WeakPolarHBondContact O-CG1 3.27Å; N736-I740 PolarHBondContact O-N 2.78Å
737	D	82.5	Confident	88.6	Confident	96 Å²	96	63.3 Å²	63.3	51%	0.513	31%	0.31	S	S	.	.	H	α-helix	trans	-65.7	-39.3	175.4	-61.7	-42.3	0	0	0	112	S735 V739 I740 D741	S735-D737 VanDerWaalsContact C-N 3.29Å; S735-D737 PolarHBondContact O-N 2.89Å; D737-V739 VanDerWaalsContact C-N 3.34Å; D737-V739 PolarHBondContact O-N 2.63Å; D737-I740 PolarHBondContact O-N 3.4Å; D737-D741 WeakPolarHBondContact O-CB 2.84Å; D737-D741 PolarHBondContact O-N 2.82Å
738	Q	87.1	Confident	88.9	Confident	101 Å²	101	63.7 Å²	63.7	47%	0.472	31%	0.312	S	S	.	.	H	α-helix	trans	-64.8	-38.1	174.5	-73.1	173.1	-33.4	0	0	112	L734 S735 D741 A742	L734-Q738 HydrophobicContact CB-CB 4.16Å; S735-Q738 WeakPolarHBondContact O-CB 3.38Å; S735-Q738 PolarHBondContact O-N 2.04Å; S735-Q738 WeakPolarHBondContact OG-CG 3.36Å; S735-Q738 PolarHBondContact OG-N 2.94Å; S735-Q738 PolarHBondContact OG-OE1 3.24Å; Q738-D741 PolarHBondContact O-N 2.97Å; Q738-A742 VanDerWaalsContact O-CB 3.24Å; Q738-A742 WeakPolarHBondContact O-CB 3.35Å; Q738-A742 PolarHBondContact O-N 2.99Å
739	V	89.8	Confident	89.1	Confident	0 Å²	0	67.3 Å²	67.3	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-62.6	-46.9	173.5	172.4	0	0	0	0	110.4	L694 L734 S735 N736 D737 D741 A742 L743 L748	L694-V739 HydrophobicContact CD1-CG1 4.47Å; L694-V739 HydrophobicContact CD2-CB 4.4Å; L694-V739 HydrophobicContact CD2-CG1 4.27Å; L694-V739 HydrophobicContact CG-CG1 4.09Å; L734-V739 HydrophobicContact CB-CG2 3.85Å; L734-V739 HydrophobicContact CD1-CG2 4.3Å; S735-V739 WeakPolarHBondContact O-CG2 3.35Å; S735-V739 PolarHBondContact O-N 2.84Å; N736-V739 PolarHBondContact O-N 2.94Å; D737-V739 VanDerWaalsContact C-N 3.34Å; D737-V739 PolarHBondContact O-N 2.63Å; V739-D741 PolarHBondContact O-N 2.82Å; V739-A742 PolarHBondContact O-N 3.05Å; V739-L743 HydrophobicContact CG1-CD1 4.2Å; V739-L743 WeakPolarHBondContact O-CG 2.98Å; V739-L743 PolarHBondContact O-N 3.01Å; V739-L748 HydrophobicContact CG1-CD1 4.39Å; V739-L748 HydrophobicContact CG1-CD2 4.02Å
740	I	88.8	Confident	89.5	Confident	5 Å²	5	65.8 Å²	65.8	3%	0.026	32%	0.315	C	S	.	.	H	α-helix	trans	-59.2	-46.5	177.3	-71.7	166.8	0	0	0	111	Y685 Y687 L694 L702 F703 N736 D737 L743 K744	Y685-I740 HydrophobicContact CD1-CD1 4.28Å; Y685-I740 HydrophobicContact CE1-CD1 3.63Å; Y687-I740 HydrophobicContact CD2-CD1 3.81Å; Y687-I740 HydrophobicContact CE2-CD1 4.01Å; L694-I740 HydrophobicContact CD1-CD1 4.44Å; L694-I740 HydrophobicContact CD1-CG1 3.77Å; L694-I740 HydrophobicContact CD2-CD1 4.21Å; L694-I740 HydrophobicContact CD2-CG1 3.99Å; L702-I740 HydrophobicContact CD2-CG1 4.33Å; F703-I740 HydrophobicContact CE1-CG2 4.04Å; F703-I740 HydrophobicContact CZ-CG2 4.08Å; N736-I740 WeakPolarHBondContact O-CG1 3.27Å; N736-I740 PolarHBondContact O-N 2.78Å; D737-I740 PolarHBondContact O-N 3.4Å; I740-L743 WeakPolarHBondContact O-CB 3.47Å; I740-L743 PolarHBondContact O-N 2.93Å; I740-K744 HydrophobicContact CG2-CD 4.49Å; I740-K744 WeakPolarHBondContact O-CG 3.36Å; I740-K744 PolarHBondContact O-N 2.78Å
741	D	88.4	Confident	89.4	Confident	67 Å²	67	69.9 Å²	69.9	36%	0.358	34%	0.344	S	S	.	.	H	α-helix	trans	-69.7	-35.5	-179.3	-76.1	-13.7	0	0	0	112.5	D737 Q738 V739 K744 R745	D737-D741 WeakPolarHBondContact O-CB 2.84Å; D737-D741 PolarHBondContact O-N 2.82Å; Q738-D741 PolarHBondContact O-N 2.97Å; V739-D741 PolarHBondContact O-N 2.82Å; D741-K744 PolarHBondContact O-N 2.79Å; D741-K744 IonicContact OD1-NZ 3.24Å; D741-K744 PolarHBondContact OD1-NZ 3.07Å; D741-R745 WeakPolarHBondContact O-CG 3.48Å; D741-R745 PolarHBondContact O-N 3.15Å
742	A	94.1	Very high	89.4	Confident	10 Å²	10	72 Å²	72	8%	0.083	36%	0.356	C	S	.	.	H	α-helix	trans	-66.7	-36.2	172.7	0	0	0	0	0	112.3	Q738 V739 R745 R746 E747 L748	Q738-A742 VanDerWaalsContact O-CB 3.24Å; Q738-A742 WeakPolarHBondContact O-CB 3.35Å; Q738-A742 PolarHBondContact O-N 2.99Å; V739-A742 PolarHBondContact O-N 3.05Å; A742-R745 PolarHBondContact O-N 2.93Å; A742-R746 PolarHBondContact O-N 3.3Å; A742-E747 PolarHBondContact O-N 3.42Å; A742-L748 HydrophobicContact CB-CB 3.99Å; A742-L748 HydrophobicContact CB-CD1 3.89Å; A742-L748 PolarHBondContact O-N 3.12Å
743	L	93.9	Very high	89.7	Confident	4 Å²	4	67.8 Å²	67.8	2%	0.021	34%	0.339	C	S	.	.	H	α-helix	trans	-62.8	-49.6	171.4	-77.8	168.5	0	0	0	111.1	L694 D699 L702 F703 W714 V739 I740 R745 R746 L748	L694-L743 HydrophobicContact CD1-CD1 4.3Å; D699-L743 HydrophobicContact CB-CB 4.47Å; L702-L743 HydrophobicContact CD2-CD1 3.66Å; F703-L743 HydrophobicContact CE2-CB 3.91Å; F703-L743 HydrophobicContact CZ-CB 4.14Å; W714-L743 HydrophobicContact CH2-CD2 4.43Å; W714-L743 HydrophobicContact CZ2-CD2 4.17Å; V739-L743 HydrophobicContact CG1-CD1 4.2Å; V739-L743 WeakPolarHBondContact O-CG 2.98Å; V739-L743 PolarHBondContact O-N 3.01Å; I740-L743 WeakPolarHBondContact O-CB 3.47Å; I740-L743 PolarHBondContact O-N 2.93Å; L743-R745 VanDerWaalsContact C-N 3.25Å; L743-R745 PolarHBondContact O-N 3.43Å; L743-R746 WeakPolarHBondContact O-CA 3.31Å; L743-R746 PolarHBondContact O-N 2.63Å; L743-L748 HydrophobicContact CD1-CD2 4.33Å; L743-L748 HydrophobicContact CD2-CB 4.18Å; L743-L748 HydrophobicContact CD2-CD2 3.56Å; L743-L748 HydrophobicContact CG-CB 4.39Å; L743-L748 HydrophobicContact CG-CD2 3.68Å
744	K	91	Very high	90	Very high	115 Å²	115	67.2 Å²	67.2	50%	0.5	34%	0.34	S	S	.	.	H	α-helix	trans	-56.6	-39.7	177	-70.4	175.5	-165.3	151.7	0	112.4	F703 I740 D741 R746	F703-K744 HydrophobicContact CD2-CG 4.46Å; F703-K744 HydrophobicContact CE1-CD 4.46Å; F703-K744 HydrophobicContact CE1-CG 3.84Å; F703-K744 HydrophobicContact CE2-CB 4.4Å; F703-K744 HydrophobicContact CE2-CG 3.64Å; F703-K744 HydrophobicContact CZ-CB 4.39Å; F703-K744 HydrophobicContact CZ-CD 4.29Å; F703-K744 HydrophobicContact CZ-CG 3.3Å; I740-K744 HydrophobicContact CG2-CD 4.49Å; I740-K744 WeakPolarHBondContact O-CG 3.36Å; I740-K744 PolarHBondContact O-N 2.78Å; D741-K744 PolarHBondContact O-N 2.79Å; D741-K744 IonicContact OD1-NZ 3.24Å; D741-K744 PolarHBondContact OD1-NZ 3.07Å; K744-R746 VanDerWaalsContact C-N 3.27Å
745	R	92.9	Very high	90.1	Very high	146 Å²	146	69.5 Å²	69.5	55%	0.551	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.8	-5.9	177.4	-67.4	-164.7	-59	-96.4	-1.7	113.6	D741 A742 L743 E747	D741-R745 WeakPolarHBondContact O-CG 3.48Å; D741-R745 PolarHBondContact O-N 3.15Å; A742-R745 PolarHBondContact O-N 2.93Å; L743-R745 VanDerWaalsContact C-N 3.25Å; L743-R745 PolarHBondContact O-N 3.43Å; R745-E747 HydrophobicContact CB-CB 4.32Å; R745-E747 HydrophobicContact CB-CG 3.99Å; R745-E747 IonicContact CZ-OE2 3.13Å; R745-E747 IonicContact NE-OE2 4Å; R745-E747 PolarHBondContact NE-OE2 3.1Å; R745-E747 IonicContact NH2-OE2 3.03Å; R745-E747 PolarHBondContact O-N 3.19Å
746	R	92.3	Very high	90.7	Very high	156 Å²	156	67 Å²	67	59%	0.589	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.2	28.7	-175.7	-61.1	179.6	166.5	-176.9	2.3	113.6	D699 A742 L743 K744 R749 T770	D699-R746 IonicContact OD2-CZ 2.6Å; D699-R746 IonicContact OD2-NE 2.71Å; D699-R746 PolarHBondContact OD2-NE 2.66Å; D699-R746 IonicContact OD2-NH2 3.26Å; A742-R746 PolarHBondContact O-N 3.3Å; L743-R746 WeakPolarHBondContact O-CA 3.31Å; L743-R746 PolarHBondContact O-N 2.63Å; K744-R746 VanDerWaalsContact C-N 3.27Å; R746-R749 PolarHBondContact O-NH1 3.26Å; R746-T770 HydrophobicContact CB-CG2 3.92Å; R746-T770 VanDerWaalsContact CD-CG2 3.49Å; R746-T770 HydrophobicContact CG-CG2 3.64Å
747	E	93.3	Very high	90.9	Very high	117 Å²	117	67.8 Å²	67.8	55%	0.547	35%	0.351	S	S	.	.			trans	-105.9	-4.3	-176.7	-72.5	169.3	179.9	0	0	112.6	A742 R745 R749	A742-E747 PolarHBondContact O-N 3.42Å; R745-E747 HydrophobicContact CB-CB 4.32Å; R745-E747 HydrophobicContact CB-CG 3.99Å; R745-E747 IonicContact CZ-OE2 3.13Å; R745-E747 IonicContact NE-OE2 4Å; R745-E747 PolarHBondContact NE-OE2 3.1Å; R745-E747 IonicContact NH2-OE2 3.03Å; R745-E747 PolarHBondContact O-N 3.19Å; E747-R749 PolarHBondContact O-N 2.95Å
748	L	94.9	Very high	91.2	Very high	8 Å²	8	68.4 Å²	68.4	4%	0.042	36%	0.358	C	S	.	.			trans	-66.9	122.7	179.3	-168.9	71.5	0	0	0	110.5	Y731 L734 V739 A742 L743	Y731-L748 HydrophobicContact CD1-CD1 3.62Å; Y731-L748 HydrophobicContact CD1-CG 4.09Å; Y731-L748 HydrophobicContact CD2-CD1 4.31Å; Y731-L748 HydrophobicContact CD2-CD2 4.26Å; Y731-L748 HydrophobicContact CE1-CD1 3.64Å; Y731-L748 HydrophobicContact CE1-CD2 4Å; Y731-L748 HydrophobicContact CE1-CG 3.55Å; Y731-L748 HydrophobicContact CE2-CD1 4.35Å; Y731-L748 HydrophobicContact CE2-CD2 3.67Å; Y731-L748 HydrophobicContact CE2-CG 4.16Å; Y731-L748 HydrophobicContact CG-CD1 3.96Å; L734-L748 HydrophobicContact CD1-CD1 4.07Å; V739-L748 HydrophobicContact CG1-CD1 4.39Å; V739-L748 HydrophobicContact CG1-CD2 4.02Å; A742-L748 HydrophobicContact CB-CB 3.99Å; A742-L748 HydrophobicContact CB-CD1 3.89Å; A742-L748 PolarHBondContact O-N 3.12Å; L743-L748 HydrophobicContact CD1-CD2 4.33Å; L743-L748 HydrophobicContact CD2-CB 4.18Å; L743-L748 HydrophobicContact CD2-CD2 3.56Å; L743-L748 HydrophobicContact CG-CB 4.39Å; L743-L748 HydrophobicContact CG-CD2 3.68Å
749	R	93.9	Very high	91.2	Very high	138 Å²	138	69.2 Å²	69.2	52%	0.521	36%	0.362	S	S	.	.			trans	-140.9	137.6	179.9	-65	-65.6	-177.4	-93.3	3.5	110.6	Y731 R746 E747	Y731-R749 WeakPolarHBondContact CE1-O 3.38Å; R746-R749 PolarHBondContact O-NH1 3.26Å; E747-R749 PolarHBondContact O-N 2.95Å
750	L	94.5	Very high	91.4	Very high	19 Å²	19	69.5 Å²	69.5	10%	0.099	36%	0.363	C	S	.	.			trans	-72.9	139	177	-71.5	164.4	0	0	0	110.2	V718 W721 P730 Y731 L752 V764 T768	V718-L750 HydrophobicContact CG2-CD1 4.31Å; W721-L750 HydrophobicContact CB-CD1 3.88Å; W721-L750 HydrophobicContact CD2-CD2 3.98Å; W721-L750 HydrophobicContact CE3-CD2 4.41Å; W721-L750 HydrophobicContact CG-CB 4.42Å; W721-L750 HydrophobicContact CG-CD1 3.93Å; W721-L750 HydrophobicContact CG-CD2 4.13Å; W721-L750 HydrophobicContact CG-CG 4.39Å; P730-L750 HydrophobicContact CB-CD2 4.01Å; Y731-L750 HydrophobicContact CD1-CD2 4.22Å; Y731-L750 HydrophobicContact CE1-CB 4.48Å; Y731-L750 HydrophobicContact CE1-CD2 3.58Å; Y731-L750 HydrophobicContact CE1-CG 3.9Å; Y731-L750 HydrophobicContact CE2-CD2 4.06Å; Y731-L750 VanDerWaalsContact CZ-CD2 3.48Å; L750-L752 HydrophobicContact CB-CD2 4.18Å; L750-L752 PolarHBondContact O-N 2.74Å; L750-V764 HydrophobicContact CD1-CG1 3.76Å; L750-T768 HydrophobicContact CD1-CG2 4.28Å
751	S	92.6	Very high	91.6	Very high	86 Å²	86	73.2 Å²	73.2	60%	0.601	38%	0.377	S	S	*	.			trans	-74.3	107.7	169.5	53.5	0	0	0	0	109.4	W721 P753	W721-S751 PolarHBondContact NE1-O 3.42Å; S751-P753 WeakPolarHBondContact O-CD 3.32Å
752	L	93.7	Very high	91.9	Very high	59 Å²	59	76 Å²	76	31%	0.309	39%	0.387	S	S	.	.			trans	-85.1	120.4	-177.1	-55.9	-177.5	0	0	0	110.9	L750 M756 R761 V764	L750-L752 HydrophobicContact CB-CD2 4.18Å; L750-L752 PolarHBondContact O-N 2.74Å; L752-M756 HydrophobicContact CD2-CE 4.36Å; L752-M756 HydrophobicContact CD2-SD 4.16Å; L752-R761 HydrophobicContact CD1-CB 4.03Å; L752-R761 HydrophobicContact CD1-CG 4.2Å; L752-V764 HydrophobicContact CD2-CB 4.46Å; L752-V764 HydrophobicContact CD2-CG1 3.89Å
753	P	90.3	Very high	91.9	Very high	34 Å²	34	76 Å²	76	22%	0.221	39%	0.386	C	S	.	.			trans	-63.1	145.1	177.5	-21	32	0	0	0	112.6	T725 S751 S755 M756	T725-P753 HydrophobicContact CG2-CG 3.67Å; S751-P753 WeakPolarHBondContact O-CD 3.32Å; P753-S755 PolarHBondContact O-N 2.89Å; P753-M756 VanDerWaalsContact O-CB 3.28Å; P753-M756 WeakPolarHBondContact O-CB 3.37Å; P753-M756 PolarHBondContact O-N 3Å
754	A	88.6	Confident	92.1	Very high	94 Å²	94	75.9 Å²	75.9	78%	0.777	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-25.6	174.2	0	0	0	0	0	112.9	M756 R761	A754-M756 VanDerWaalsContact C-N 3.29Å; A754-M756 PolarHBondContact O-N 2.66Å; A754-R761 PolarHBondContact O-NH2 2.8Å
755	S	87.1	Confident	92.3	Very high	103 Å²	103	73.4 Å²	73.4	72%	0.72	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.4	-16.9	174.7	54	0	0	0	0	114.1	P753	P753-S755 PolarHBondContact O-N 2.89Å
756	M	92.1	Very high	92.5	Very high	2 Å²	2	70.3 Å²	70.3	1%	0.01	37%	0.372	C	S	.	.	S	Bend	trans	-68.2	129.1	-179.3	-177.1	-179.1	-80	0	0	110.2	C724 L752 P753 A754 W760 R761 V764	C724-M756 HydrophobicContact CB-CE 3.37Å; C724-M756 HydrophobicContact CB-CG 4.36Å; L752-M756 HydrophobicContact CD2-CE 4.36Å; L752-M756 HydrophobicContact CD2-SD 4.16Å; P753-M756 VanDerWaalsContact O-CB 3.28Å; P753-M756 WeakPolarHBondContact O-CB 3.37Å; P753-M756 PolarHBondContact O-N 3Å; A754-M756 VanDerWaalsContact C-N 3.29Å; A754-M756 PolarHBondContact O-N 2.66Å; M756-W760 HydrophobicContact CG-CB 3.87Å; M756-W760 HydrophobicContact SD-CB 4.4Å; M756-R761 HydrophobicContact CB-CG 4.03Å; M756-R761 HydrophobicContact CG-CG 3.74Å; M756-R761 PolarHBondContact O-NE 3.41Å; M756-R761 PolarHBondContact O-NH2 2.84Å; M756-R761 HydrophobicContact SD-CB 4.27Å; M756-R761 HydrophobicContact SD-CG 3.61Å; M756-V764 HydrophobicContact CE-CG2 4.28Å; M756-V764 HydrophobicContact SD-CG2 4.28Å
757	P	87.6	Confident	92.8	Very high	64 Å²	64	62.9 Å²	62.9	42%	0.416	34%	0.344	S	S	.	.			trans	-56.8	143.9	176	-25.7	34.5	0	0	0	112.6	Q759 W760 R761	P757-Q759 VanDerWaalsContact C-N 3.28Å; P757-Q759 PolarHBondContact O-N 2.79Å; P757-W760 HydrophobicContact CB-CB 4.37Å; P757-W760 HydrophobicContact CB-CG 4.42Å; P757-W760 WeakPolarHBondContact O-CA 3.27Å; P757-W760 WeakPolarHBondContact O-CB 3.5Å; P757-W760 PolarHBondContact O-N 3.02Å; P757-R761 PolarHBondContact O-N 2.81Å
758	V	88.8	Confident	93	Very high	108 Å²	108	57.9 Å²	57.9	66%	0.655	32%	0.322	S	S	*	.	H	α-helix	trans	-56.1	-41.8	-176.2	176.9	0	0	0	0	112.4	W760 R761 H762	V758-W760 VanDerWaalsContact C-N 3.31Å; V758-W760 PolarHBondContact O-N 3.24Å; V758-R761 WeakPolarHBondContact O-CB 3.36Å; V758-R761 PolarHBondContact O-N 3.3Å; V758-H762 PolarHBondContact O-N 2.74Å; V758-H762 VanDerWaalsContact O-N 3.08Å
759	Q	87.4	Confident	93.1	Very high	118 Å²	118	61.1 Å²	61.1	55%	0.551	34%	0.337	S	S	*	.	H	α-helix	trans	-61.5	-39.7	177.3	-64.8	175.9	4.8	0	0	111.8	P757 H762 L763	P757-Q759 VanDerWaalsContact C-N 3.28Å; P757-Q759 PolarHBondContact O-N 2.79Å; Q759-H762 PolarHBondContact O-N 3Å; Q759-L763 WeakPolarHBondContact O-CG 2.98Å; Q759-L763 PolarHBondContact O-N 2.8Å
760	W	92.4	Very high	93	Very high	7 Å²	7	55.6 Å²	55.6	3%	0.027	32%	0.318	C	S	.	.	H	α-helix	trans	-68.9	-38.7	176.7	-79.1	59.1	0	0	0	111.8	M631 R632 A635 L720 M723 M756 P757 V758 H762 L763 V764 F785	M631-W760 HydrophobicContact CB-CH2 4.03Å; M631-W760 HydrophobicContact CB-CZ2 4.2Å; M631-W760 HydrophobicContact CE-CH2 4.28Å; M631-W760 HydrophobicContact CE-CZ3 4.1Å; R632-W760 HydrophobicContact CG-CZ2 4Å; A635-W760 HydrophobicContact CB-CH2 3.87Å; A635-W760 HydrophobicContact CB-CZ2 4.19Å; L720-W760 HydrophobicContact CB-CE3 4.06Å; L720-W760 HydrophobicContact CB-CZ3 3.98Å; L720-W760 HydrophobicContact CD2-CE3 4.18Å; L720-W760 HydrophobicContact CD2-CH2 3.93Å; L720-W760 HydrophobicContact CD2-CZ3 3.55Å; L720-W760 HydrophobicContact CG-CZ3 4.28Å; M723-W760 HydrophobicContact CE-CH2 4.34Å; M723-W760 HydrophobicContact SD-CH2 4.36Å; M723-W760 HydrophobicContact SD-CZ3 4.45Å; M756-W760 HydrophobicContact CG-CB 3.87Å; M756-W760 HydrophobicContact SD-CB 4.4Å; P757-W760 HydrophobicContact CB-CB 4.37Å; P757-W760 HydrophobicContact CB-CG 4.42Å; P757-W760 WeakPolarHBondContact O-CA 3.27Å; P757-W760 WeakPolarHBondContact O-CB 3.5Å; P757-W760 PolarHBondContact O-N 3.02Å; V758-W760 VanDerWaalsContact C-N 3.31Å; V758-W760 PolarHBondContact O-N 3.24Å; W760-H762 VanDerWaalsContact C-N 3.31Å; W760-H762 PolarHBondContact O-N 3.13Å; W760-L763 PolarHBondContact O-N 2.89Å; W760-V764 VanDerWaalsContact O-CG2 3.32Å; W760-V764 WeakPolarHBondContact O-CG2 3.29Å; W760-V764 PolarHBondContact O-N 3.15Å; W760-F785 HydrophobicContact CZ2-CE1 4.44Å
761	R	94.4	Very high	92.8	Very high	83 Å²	83	58.2 Å²	58.2	31%	0.313	33%	0.332	S	S	.	.	H	α-helix	trans	-57.9	-45.4	173.3	-64.4	-178.2	-160.2	146.7	5.6	111.2	L752 A754 M756 P757 V758 V764 C765	L752-R761 HydrophobicContact CD1-CB 4.03Å; L752-R761 HydrophobicContact CD1-CG 4.2Å; A754-R761 PolarHBondContact O-NH2 2.8Å; M756-R761 HydrophobicContact CB-CG 4.03Å; M756-R761 HydrophobicContact CG-CG 3.74Å; M756-R761 PolarHBondContact O-NE 3.41Å; M756-R761 PolarHBondContact O-NH2 2.84Å; M756-R761 HydrophobicContact SD-CB 4.27Å; M756-R761 HydrophobicContact SD-CG 3.61Å; P757-R761 PolarHBondContact O-N 2.81Å; V758-R761 WeakPolarHBondContact O-CB 3.36Å; V758-R761 PolarHBondContact O-N 3.3Å; R761-V764 PolarHBondContact O-N 2.81Å; R761-C765 PolarHBondContact O-N 3.19Å; R761-C765 PolarHBondContact O-SG 2.96Å; R761-C765 VanDerWaalsContact O-SG 3.34Å
762	H	93.8	Very high	92.9	Very high	126 Å²	126	55.6 Å²	55.6	58%	0.583	31%	0.314	S	S	*	.	H	α-helix	trans	-63.4	-44	177.7	-174.7	70.9	0	0	0	111.9	V758 Q759 W760 C765 K766	V758-H762 PolarHBondContact O-N 2.74Å; V758-H762 VanDerWaalsContact O-N 3.08Å; Q759-H762 PolarHBondContact O-N 3Å; W760-H762 VanDerWaalsContact C-N 3.31Å; W760-H762 PolarHBondContact O-N 3.13Å; H762-C765 PolarHBondContact O-N 3.29Å; H762-K766 WeakPolarHBondContact O-CB 3.28Å; H762-K766 PolarHBondContact O-N 3.34Å
763	L	95.1	Very high	92.8	Very high	10 Å²	10	60.9 Å²	60.9	5%	0.052	33%	0.334	C	S	.	.	H	α-helix	trans	-61.4	-46.4	176.8	-74.8	172.6	0	0	0	112.6	L720 Q759 W760 C765 K766 C767 L781 L784 F785	L720-L763 HydrophobicContact CD1-CB 4.17Å; Q759-L763 WeakPolarHBondContact O-CG 2.98Å; Q759-L763 PolarHBondContact O-N 2.8Å; W760-L763 PolarHBondContact O-N 2.89Å; L763-C765 PolarHBondContact O-N 3.43Å; L763-K766 PolarHBondContact O-N 2.63Å; L763-C767 WeakPolarHBondContact O-CB 3.25Å; L763-C767 PolarHBondContact O-N 2.87Å; L763-C767 PolarHBondContact O-SG 2.63Å; L763-L781 HydrophobicContact CD2-CD2 4.1Å; L763-L784 HydrophobicContact CD2-CD1 3.88Å; L763-F785 HydrophobicContact CD1-CE1 3.74Å; L763-F785 HydrophobicContact CD1-CZ 3.89Å
764	V	97.1	Very high	93.1	Very high	1 Å²	1	64.9 Å²	64.9	1%	0.006	35%	0.35	C	S	.	.	H	α-helix	trans	-57.5	-51.3	176.5	172	0	0	0	0	109.8	L720 W721 L750 L752 M756 W760 R761 K766 C767 T768	L720-V764 HydrophobicContact CB-CG2 3.87Å; W721-V764 HydrophobicContact CB-CG1 4.45Å; L750-V764 HydrophobicContact CD1-CG1 3.76Å; L752-V764 HydrophobicContact CD2-CB 4.46Å; L752-V764 HydrophobicContact CD2-CG1 3.89Å; M756-V764 HydrophobicContact CE-CG2 4.28Å; M756-V764 HydrophobicContact SD-CG2 4.28Å; W760-V764 VanDerWaalsContact O-CG2 3.32Å; W760-V764 WeakPolarHBondContact O-CG2 3.29Å; W760-V764 PolarHBondContact O-N 3.15Å; R761-V764 PolarHBondContact O-N 2.81Å; V764-K766 PolarHBondContact O-N 2.85Å; V764-C767 PolarHBondContact O-N 2.68Å; V764-T768 PolarHBondContact O-N 2.92Å; V764-T768 PolarHBondContact O-OG1 2.89Å
765	C	96.4	Very high	93.5	Very high	63 Å²	63	60.5 Å²	60.5	43%	0.426	31%	0.314	S	S	.	.	H	α-helix	trans	-58.7	-44	178.3	-70.8	0	0	0	0	112.7	R761 H762 L763 T768 E769	R761-C765 PolarHBondContact O-N 3.19Å; R761-C765 PolarHBondContact O-SG 2.96Å; R761-C765 VanDerWaalsContact O-SG 3.34Å; H762-C765 PolarHBondContact O-N 3.29Å; L763-C765 PolarHBondContact O-N 3.43Å; C765-T768 CarbonylContact O-C 3.58Å; C765-T768 PolarHBondContact O-N 3.46Å; C765-T768 PolarHBondContact O-OG1 2.8Å; C765-E769 PolarHBondContact O-N 2.81Å
766	K	96.7	Very high	94	Very high	81 Å²	81	55.7 Å²	55.7	35%	0.352	28%	0.28	S	S	.	.	H	α-helix	trans	-67.1	-38.1	-179.7	-160.4	-173.9	178.8	179.2	0	112	H762 L763 V764	H762-K766 WeakPolarHBondContact O-CB 3.28Å; H762-K766 PolarHBondContact O-N 3.34Å; L763-K766 PolarHBondContact O-N 2.63Å; V764-K766 PolarHBondContact O-N 2.85Å
767	C	98.2	Very high	94.2	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-67.7	-36.7	175.2	-68.8	0	0	0	0	111.9	V713 W714 G717 L763 V764 E769 R775	V713-C767 HydrophobicContact CG1-CB 4.14Å; V713-C767 WeakPolarHBondContact O-CB 2.98Å; W714-C767 WeakPolarHBondContact CA-O 3.48Å; G717-C767 VanDerWaalsContact CA-CB 3.46Å; L763-C767 WeakPolarHBondContact O-CB 3.25Å; L763-C767 PolarHBondContact O-N 2.87Å; L763-C767 PolarHBondContact O-SG 2.63Å; V764-C767 PolarHBondContact O-N 2.68Å; C767-E769 VanDerWaalsContact C-N 3.33Å; C767-E769 PolarHBondContact O-N 3.14Å; C767-R775 VanDerWaalsContact O-CD 3.23Å; C767-R775 WeakPolarHBondContact O-CD 3.46Å; C767-R775 WeakPolarHBondContact O-CG 3.23Å
768	T	97.3	Very high	94.6	Very high	12 Å²	12	55.5 Å²	55.5	7%	0.074	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.1	28	178.7	65.6	0	0	0	0	113.2	W714 V718 L750 V764 C765	W714-T768 HydrophobicContact CD2-CG2 4.31Å; W714-T768 VanDerWaalsContact CZ3-O 3.28Å; W714-T768 WeakPolarHBondContact CZ3-O 3.3Å; V718-T768 HydrophobicContact CG2-CG2 4.4Å; L750-T768 HydrophobicContact CD1-CG2 4.28Å; V764-T768 PolarHBondContact O-N 2.92Å; V764-T768 PolarHBondContact O-OG1 2.89Å; C765-T768 CarbonylContact O-C 3.58Å; C765-T768 PolarHBondContact O-N 3.46Å; C765-T768 PolarHBondContact O-OG1 2.8Å
769	E	96.3	Very high	94.8	Very high	76 Å²	76	51 Å²	51	36%	0.355	25%	0.252	S	S	.	.			trans	-69.6	142	176	-172.8	50	-103.9	0	0	110.2	C765 C767 N771 E774 R775	C765-E769 PolarHBondContact O-N 2.81Å; C767-E769 VanDerWaalsContact C-N 3.33Å; C767-E769 PolarHBondContact O-N 3.14Å; E769-N771 PolarHBondContact O-N 2.91Å; E769-E774 HydrophobicContact CB-CB 4.38Å; E769-E774 HydrophobicContact CG-CB 3.76Å; E769-E774 HydrophobicContact CG-CG 4.36Å; E769-R775 HydrophobicContact CB-CG 4.18Å; E769-R775 PolarHBondContact O-NE 3.05Å; E769-R775 PolarHBondContact O-NH2 2.81Å
770	T	93.5	Very high	95.2	Very high	21 Å²	21	50 Å²	50	13%	0.129	25%	0.248	C	C	.	.	S	Bend	trans	-70.1	-35.9	-173.5	-49.5	0	0	0	0	111.5	R746 S772	R746-T770 HydrophobicContact CB-CG2 3.92Å; R746-T770 VanDerWaalsContact CD-CG2 3.49Å; R746-T770 HydrophobicContact CG-CG2 3.64Å; T770-S772 PolarHBondContact O-N 2.82Å
771	N	90.5	Very high	95.4	Very high	75 Å²	75	49.6 Å²	49.6	40%	0.401	25%	0.247	S	C	.	.	S	Bend	trans	-79.9	112	171.1	-178.4	5.3	0	0	0	109.9	E769 K773 E774	E769-N771 PolarHBondContact O-N 2.91Å; N771-K773 PolarHBondContact O-N 2.87Å; N771-K773 VanDerWaalsContact O-N 3.1Å; N771-K773 PolarHBondContact OD1-N 2.85Å; N771-K773 VanDerWaalsContact OD1-N 3.16Å; N771-E774 HydrophobicContact CB-CG 3.87Å; N771-E774 PolarHBondContact O-N 2.85Å
772	S	94	Very high	95.4	Very high	31 Å²	31	48.8 Å²	48.8	22%	0.217	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-26.5	-180	64.3	0	0	0	0	113.9	K710 T770 E774 R775	K710-S772 VanDerWaalsContact CD-O 3.3Å; K710-S772 WeakPolarHBondContact CD-O 3.43Å; K710-S772 WeakPolarHBondContact CG-O 3.18Å; T770-S772 PolarHBondContact O-N 2.82Å; S772-E774 VanDerWaalsContact C-N 3.34Å; S772-E774 PolarHBondContact O-N 3.12Å; S772-R775 PolarHBondContact O-N 3.21Å
773	K	91.6	Very high	95.3	Very high	169 Å²	169	47.5 Å²	47.5	74%	0.735	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.8	-31.5	177.3	-64.9	-175.3	178.4	-177.9	0	113.1	K710 N771	K710-K773 PolarHBondContact NZ-O 2.98Å; N771-K773 PolarHBondContact O-N 2.87Å; N771-K773 VanDerWaalsContact O-N 3.1Å; N771-K773 PolarHBondContact OD1-N 2.85Å; N771-K773 VanDerWaalsContact OD1-N 3.16Å
774	E	95.5	Very high	95.2	Very high	118 Å²	118	50.3 Å²	50.3	55%	0.551	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80	-18.5	-178.4	-59.1	-58.9	148.2	0	0	113.4	E769 N771 S772	E769-E774 HydrophobicContact CB-CB 4.38Å; E769-E774 HydrophobicContact CG-CB 3.76Å; E769-E774 HydrophobicContact CG-CG 4.36Å; N771-E774 HydrophobicContact CB-CG 3.87Å; N771-E774 PolarHBondContact O-N 2.85Å; S772-E774 VanDerWaalsContact C-N 3.34Å; S772-E774 PolarHBondContact O-N 3.12Å
775	R	97.4	Very high	94.9	Very high	3 Å²	3	50.4 Å²	50.4	1%	0.011	25%	0.253	C	S	.	.	S	Bend	trans	-65.4	145.4	176.2	-57.4	176.8	-164.7	151.1	11.2	109.5	E700 K710 V713 C767 E769 S772	E700-R775 IonicContact OE1-CZ 2.64Å; E700-R775 IonicContact OE1-NH1 2.65Å; E700-R775 PolarHBondContact OE1-NH1 2.9Å; E700-R775 IonicContact OE1-NH2 3.01Å; E700-R775 PolarHBondContact OE1-NH2 2.86Å; E700-R775 IonicContact OE2-CZ 2.71Å; E700-R775 IonicContact OE2-NH1 3.8Å; E700-R775 IonicContact OE2-NH2 3.63Å; E700-R775 PolarHBondContact OE2-NH2 2.71Å; K710-R775 HydrophobicContact CD-CB 4.25Å; K710-R775 PolarHBondContact NZ-O 2.96Å; K710-R775 WeakPolarHBondContact O-CD 3.5Å; K710-R775 PolarHBondContact O-NH1 2.96Å; V713-R775 HydrophobicContact CG1-CB 3.96Å; C767-R775 VanDerWaalsContact O-CD 3.23Å; C767-R775 WeakPolarHBondContact O-CD 3.46Å; C767-R775 WeakPolarHBondContact O-CG 3.23Å; E769-R775 HydrophobicContact CB-CG 4.18Å; E769-R775 PolarHBondContact O-NE 3.05Å; E769-R775 PolarHBondContact O-NH2 2.81Å; S772-R775 PolarHBondContact O-N 3.21Å
776	P	97.1	Very high	94.5	Very high	2 Å²	2	50.2 Å²	50.2	1%	0.013	25%	0.247	C	C	.	.	P	Polyproline II helix	trans	-67.4	169	176.1	30.2	-34.8	0	0	0	111.7	V713 E780 L781	V713-P776 HydrophobicContact CG1-CG 4.05Å; V713-P776 WeakPolarHBondContact CG2-O 3.33Å; P776-E780 WeakPolarHBondContact CA-OE2 3.35Å; P776-E780 HydrophobicContact CB-CB 4.19Å; P776-L781 HydrophobicContact CB-CD2 4.31Å; P776-L781 HydrophobicContact CB-CG 4.14Å; P776-L781 HydrophobicContact CG-CD1 4.19Å; P776-L781 HydrophobicContact CG-CD2 3.68Å; P776-L781 HydrophobicContact CG-CG 3.82Å
777	T	96.4	Very high	93.9	Very high	59 Å²	59	50 Å²	50	36%	0.362	26%	0.26	S	S	.	.	P	Polyproline II helix	trans	-88.3	162.4	164.1	63.2	0	0	0	0	110.2	G779 E780 L781	T777-G779 VanDerWaalsContact C-N 3.3Å; T777-G779 PolarHBondContact O-N 3.47Å; T777-E780 PolarHBondContact N-OE2 3.4Å; T777-E780 PolarHBondContact O-N 2.99Å; T777-E780 VanDerWaalsContact OG1-CG 3.29Å; T777-E780 WeakPolarHBondContact OG1-CG 3.32Å; T777-E780 PolarHBondContact OG1-N 2.81Å; T777-E780 PolarHBondContact OG1-OE2 2.01Å; T777-L781 WeakPolarHBondContact O-CG 3.37Å; T777-L781 PolarHBondContact O-N 2.88Å
778	F	97	Very high	92.8	Very high	2 Å²	2	52.6 Å²	52.6	1%	0.009	27%	0.272	C	S	.	.	H	α-helix	trans	-64.4	-34.6	175	-74.9	-66.3	0	0	0	112.7	M642 D643 D712 V713 F716 L781 R782	M642-F778 HydrophobicContact CB-CB 4.39Å; M642-F778 HydrophobicContact CB-CD1 3.39Å; M642-F778 HydrophobicContact CB-CD2 3.81Å; M642-F778 HydrophobicContact CB-CE1 3.42Å; M642-F778 VanDerWaalsContact CB-CE1 3.42Å; M642-F778 HydrophobicContact CB-CE2 3.83Å; M642-F778 HydrophobicContact CB-CG 3.59Å; M642-F778 HydrophobicContact CB-CZ 3.65Å; M642-F778 HydrophobicContact CE-CE1 4.39Å; M642-F778 HydrophobicContact CE-CE2 3.82Å; M642-F778 HydrophobicContact CE-CZ 3.6Å; M642-F778 HydrophobicContact CG-CD1 4.29Å; M642-F778 HydrophobicContact CG-CE1 3.86Å; M642-F778 HydrophobicContact CG-CZ 4.01Å; D643-F778 HydrophobicContact CB-CB 3.79Å; D712-F778 HydrophobicContact CB-CE2 3.85Å; D712-F778 HydrophobicContact CB-CZ 3.86Å; V713-F778 HydrophobicContact CG2-CD1 4.46Å; V713-F778 HydrophobicContact CG2-CD2 4.08Å; V713-F778 HydrophobicContact CG2-CE1 4.16Å; V713-F778 HydrophobicContact CG2-CE2 3.75Å; V713-F778 HydrophobicContact CG2-CG 4.42Å; V713-F778 HydrophobicContact CG2-CZ 3.79Å; F716-F778 HydrophobicContact CB-CE1 3.88Å; F716-F778 HydrophobicContact CB-CZ 4.3Å; F716-F778 AromaticContact CD2-CE1 3.75Å; F716-F778 HydrophobicContact CD2-CE1 3.75Å; F716-F778 HydrophobicContact CE2-CE1 4.48Å; F716-F778 AromaticContact CG-CE1 3.87Å; F716-F778 HydrophobicContact CG-CE1 3.87Å; F778-L781 HydrophobicContact CD1-CD1 3.92Å; F778-L781 HydrophobicContact CE1-CD1 4.23Å; F778-L781 PolarHBondContact O-N 2.95Å; F778-R782 WeakPolarHBondContact O-CB 3.32Å; F778-R782 PolarHBondContact O-N 2.91Å
779	G	93.7	Very high	91.1	Very high	13 Å²	13	55.8 Å²	55.8	13%	0.134	29%	0.292	C	S	.	.	H	α-helix	trans	-56.6	-48.4	169.6	0	0	0	0	0	112.4	D643 T777 L781 R782 E783	D643-G779 WeakPolarHBondContact OD1-CA 3.48Å; D643-G779 PolarHBondContact OD1-N 2.6Å; T777-G779 VanDerWaalsContact C-N 3.3Å; T777-G779 PolarHBondContact O-N 3.47Å; G779-L781 PolarHBondContact O-N 2.78Å; G779-R782 WeakPolarHBondContact O-CB 3.4Å; G779-R782 PolarHBondContact O-N 2.83Å; G779-E783 WeakPolarHBondContact O-CG 3.37Å; G779-E783 PolarHBondContact O-N 2.83Å
780	E	95.8	Very high	88.7	Confident	97 Å²	97	55.9 Å²	55.9	45%	0.453	30%	0.301	S	S	.	.	H	α-helix	trans	-63	-40.1	175.5	-71.2	168.1	142.5	0	0	112.5	P776 T777 E783 L784	P776-E780 WeakPolarHBondContact CA-OE2 3.35Å; P776-E780 HydrophobicContact CB-CB 4.19Å; T777-E780 PolarHBondContact N-OE2 3.4Å; T777-E780 PolarHBondContact O-N 2.99Å; T777-E780 VanDerWaalsContact OG1-CG 3.29Å; T777-E780 WeakPolarHBondContact OG1-CG 3.32Å; T777-E780 PolarHBondContact OG1-N 2.81Å; T777-E780 PolarHBondContact OG1-OE2 2.01Å; E780-E783 PolarHBondContact O-N 2.77Å; E780-L784 WeakPolarHBondContact O-CB 3.13Å; E780-L784 WeakPolarHBondContact O-CG 3.43Å; E780-L784 PolarHBondContact O-N 3.35Å
781	L	95.9	Very high	86.2	Confident	0 Å²	0	60.1 Å²	60.1	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-62.3	-42.9	175.5	-72.2	170.4	0	0	0	111.7	V713 F716 L763 P776 T777 F778 G779 L784 F785	V713-L781 HydrophobicContact CG1-CD1 4.33Å; F716-L781 HydrophobicContact CD1-CD1 3.72Å; F716-L781 HydrophobicContact CE1-CD1 3.9Å; F716-L781 HydrophobicContact CE1-CD2 4.43Å; F716-L781 HydrophobicContact CG-CD1 4.33Å; L763-L781 HydrophobicContact CD2-CD2 4.1Å; P776-L781 HydrophobicContact CB-CD2 4.31Å; P776-L781 HydrophobicContact CB-CG 4.14Å; P776-L781 HydrophobicContact CG-CD1 4.19Å; P776-L781 HydrophobicContact CG-CD2 3.68Å; P776-L781 HydrophobicContact CG-CG 3.82Å; T777-L781 WeakPolarHBondContact O-CG 3.37Å; T777-L781 PolarHBondContact O-N 2.88Å; F778-L781 HydrophobicContact CD1-CD1 3.92Å; F778-L781 HydrophobicContact CE1-CD1 4.23Å; F778-L781 PolarHBondContact O-N 2.95Å; G779-L781 PolarHBondContact O-N 2.78Å; L781-L784 PolarHBondContact O-N 2.88Å; L781-F785 HydrophobicContact CB-CE2 4.43Å; L781-F785 WeakPolarHBondContact O-CD2 3.5Å; L781-F785 PolarHBondContact O-N 3.19Å
782	R	93.8	Very high	83.6	Confident	65 Å²	65	63 Å²	63	25%	0.245	35%	0.349	C	S	.	.	H	α-helix	trans	-58.2	-51.5	174.9	-177.7	-168.5	67.2	-128.6	-4.3	110.8	L636 S639 E640 D643 F778 G779 L784 F785 L786	L636-R782 HydrophobicContact CD1-CG 3.87Å; S639-R782 WeakPolarHBondContact OG-CA 3.33Å; E640-R782 HydrophobicContact CG-CG 3.82Å; D643-R782 IonicContact OD2-CZ 3.97Å; D643-R782 IonicContact OD2-NH1 3.65Å; D643-R782 PolarHBondContact OD2-NH1 2.91Å; F778-R782 WeakPolarHBondContact O-CB 3.32Å; F778-R782 PolarHBondContact O-N 2.91Å; G779-R782 WeakPolarHBondContact O-CB 3.4Å; G779-R782 PolarHBondContact O-N 2.83Å; R782-L784 VanDerWaalsContact C-N 3.28Å; R782-L784 PolarHBondContact O-N 3.39Å; R782-F785 PolarHBondContact O-N 2.83Å; R782-F785 VanDerWaalsContact O-N 3.15Å; R782-L786 HydrophobicContact CG-CD1 3.93Å; R782-L786 HydrophobicContact CG-CG 4.34Å; R782-L786 WeakPolarHBondContact O-CG 3.31Å; R782-L786 PolarHBondContact O-N 3.42Å
783	E	92.2	Very high	80.5	Confident	99 Å²	99	69.5 Å²	69.5	46%	0.463	38%	0.376	S	S	.	.	H	α-helix	trans	-59.9	-38.8	179.1	-64.4	-49.3	136.3	0	0	111.9	G779 E780 F785 L786 A787	G779-E783 WeakPolarHBondContact O-CG 3.37Å; G779-E783 PolarHBondContact O-N 2.83Å; E780-E783 PolarHBondContact O-N 2.77Å; E783-F785 PolarHBondContact O-N 2.9Å; E783-L786 PolarHBondContact O-N 2.49Å; E783-A787 WeakPolarHBondContact O-CB 3.41Å; E783-A787 PolarHBondContact O-N 3.5Å
784	L	92.3	Very high	77.7	Confident	70 Å²	70	66 Å²	66	37%	0.366	37%	0.373	S	S	.	.	H	α-helix	trans	-64	-38.5	176.3	-73.6	168.9	0	0	0	112.8	L763 E780 L781 R782 Q788	L763-L784 HydrophobicContact CD2-CD1 3.88Å; E780-L784 WeakPolarHBondContact O-CB 3.13Å; E780-L784 WeakPolarHBondContact O-CG 3.43Å; E780-L784 PolarHBondContact O-N 3.35Å; L781-L784 PolarHBondContact O-N 2.88Å; R782-L784 VanDerWaalsContact C-N 3.28Å; R782-L784 PolarHBondContact O-N 3.39Å; L784-Q788 WeakPolarHBondContact O-CG 3.28Å; L784-Q788 PolarHBondContact O-NE2 3.11Å
785	F	91.5	Very high	74.5	Confident	3 Å²	3	68 Å²	68	1%	0.013	39%	0.387	C	S	.	.	H	α-helix	trans	-75.3	-36.7	175.6	-68.2	-58.1	0	0	0	112.2	A635 L636 F716 L720 W760 L763 L781 R782 E783 Q788 T789	A635-F785 HydrophobicContact CB-CD1 4.2Å; A635-F785 HydrophobicContact CB-CD2 4.33Å; A635-F785 HydrophobicContact CB-CE1 3.79Å; A635-F785 HydrophobicContact CB-CE2 3.95Å; A635-F785 HydrophobicContact CB-CG 4.47Å; A635-F785 HydrophobicContact CB-CZ 3.66Å; L636-F785 HydrophobicContact CB-CB 3.96Å; L636-F785 HydrophobicContact CD1-CB 3.98Å; F716-F785 AromaticContact CE1-CE2 3.85Å; F716-F785 HydrophobicContact CE1-CE2 3.85Å; F716-F785 HydrophobicContact CE1-CZ 4.19Å; F716-F785 AromaticContact CZ-CE2 3.81Å; F716-F785 HydrophobicContact CZ-CE2 3.81Å; F716-F785 HydrophobicContact CZ-CZ 4.38Å; L720-F785 HydrophobicContact CD1-CZ 4.21Å; L720-F785 HydrophobicContact CD2-CZ 4.09Å; W760-F785 HydrophobicContact CZ2-CE1 4.44Å; L763-F785 HydrophobicContact CD1-CE1 3.74Å; L763-F785 HydrophobicContact CD1-CZ 3.89Å; L781-F785 HydrophobicContact CB-CE2 4.43Å; L781-F785 WeakPolarHBondContact O-CD2 3.5Å; L781-F785 PolarHBondContact O-N 3.19Å; R782-F785 PolarHBondContact O-N 2.83Å; R782-F785 VanDerWaalsContact O-N 3.15Å; E783-F785 PolarHBondContact O-N 2.9Å; F785-Q788 PolarHBondContact O-N 3.07Å; F785-T789 WeakPolarHBondContact O-CG2 3.46Å; F785-T789 PolarHBondContact O-N 2.93Å
786	L	88.5	Confident	71.5	Confident	59 Å²	59	78.4 Å²	78.4	31%	0.309	44%	0.441	S	S	.	.	H	α-helix	trans	-62.3	-45.1	174	-75.2	172.6	0	0	0	111.8	L636 R782 E783 Q788 T789 S790	L636-L786 HydrophobicContact CD1-CD2 3.91Å; L636-L786 HydrophobicContact CD1-CG 3.76Å; L636-L786 HydrophobicContact CD2-CD2 3.79Å; L636-L786 HydrophobicContact CD2-CG 4.48Å; L636-L786 HydrophobicContact CG-CD2 4.5Å; R782-L786 HydrophobicContact CG-CD1 3.93Å; R782-L786 HydrophobicContact CG-CG 4.34Å; R782-L786 WeakPolarHBondContact O-CG 3.31Å; R782-L786 PolarHBondContact O-N 3.42Å; E783-L786 PolarHBondContact O-N 2.49Å; L786-Q788 PolarHBondContact O-N 3.2Å; L786-Q788 VanDerWaalsContact O-N 3.16Å; L786-T789 PolarHBondContact O-N 2.82Å; L786-T789 PolarHBondContact O-OG1 2.8Å; L786-S790 PolarHBondContact O-N 2.97Å
787	A	83.9	Confident	70.2	Confident	75 Å²	75	82.2 Å²	82.2	62%	0.62	46%	0.462	S	S	*	.	H	α-helix	trans	-59.6	-28.4	178.1	0	0	0	0	0	112.9	E783 T789	E783-A787 WeakPolarHBondContact O-CB 3.41Å; E783-A787 PolarHBondContact O-N 3.5Å; A787-T789 VanDerWaalsContact C-N 3.34Å
788	Q	73.8	Confident	68.8	Low	55 Å²	55	83.4 Å²	83.4	26%	0.257	47%	0.467	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-11.4	174.6	-67.7	174.2	28.7	0	0	113.9	L784 F785 L786	L784-Q788 WeakPolarHBondContact O-CG 3.28Å; L784-Q788 PolarHBondContact O-NE2 3.11Å; F785-Q788 PolarHBondContact O-N 3.07Å; L786-Q788 PolarHBondContact O-N 3.2Å; L786-Q788 VanDerWaalsContact O-N 3.16Å
789	T	63	Low	67.3	Low	79 Å²	79	87.9 Å²	87.9	49%	0.485	49%	0.493	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.7	-19.3	177	62	0	0	0	0	113.5	F785 L786 A787	F785-T789 WeakPolarHBondContact O-CG2 3.46Å; F785-T789 PolarHBondContact O-N 2.93Å; L786-T789 PolarHBondContact O-N 2.82Å; L786-T789 PolarHBondContact O-OG1 2.8Å; A787-T789 VanDerWaalsContact C-N 3.34Å
790	S	46.1	Very low	65.7	Low	79 Å²	79	92.4 Å²	92.4	55%	0.552	51%	0.514	S	S	*	.	S	Bend	trans	-62.9	126.3	175.4	-165.2	0	0	0	0	108.9	L786 V792	L786-S790 PolarHBondContact O-N 2.97Å; S790-V792 PolarHBondContact O-N 2.91Å
791	P	40.4	Very low	63.8	Low	110 Å²	110	92.1 Å²	92.1	71%	0.714	52%	0.518	S	S	*	.			trans	-58.4	113	168.1	24.7	-29.9	0	0	0	106.1	Q793	P791-Q793 VanDerWaalsContact C-N 3.29Å; P791-Q793 PolarHBondContact O-N 3.07Å
792	V	36	Very low	61.7	Low	134 Å²	134	98.2 Å²	98.2	81%	0.812	55%	0.552	S	S	*	*			trans	-51.2	106.7	162.3	174	0	0	0	0	104.5	S790 S794	S790-V792 PolarHBondContact O-N 2.91Å; V792-S794 PolarHBondContact O-N 3.16Å
793	Q	29.1	Very low	59.4	Low	169 Å²	169	100.6 Å²	100.6	79%	0.79	57%	0.574	S	S	*	*			trans	-50	114.5	162.9	-84.7	176.6	-35	0	0	104.7	P791 D795	P791-Q793 VanDerWaalsContact C-N 3.29Å; P791-Q793 PolarHBondContact O-N 3.07Å; Q793-D795 PolarHBondContact O-N 2.89Å
794	S	32.5	Very low	56.9	Low	96 Å²	96	100.7 Å²	100.7	67%	0.671	58%	0.583	S	S	*	*			trans	-60.6	92.1	170.4	48.3	0	0	0	0	107.2	V792 I796	V792-S794 PolarHBondContact O-N 3.16Å; S794-I796 PolarHBondContact O-N 3.42Å
795	D	28.4	Very low	53.9	Low	160 Å²	160	103.3 Å²	103.3	86%	0.856	60%	0.601	S	S	*	*			trans	-76.9	69.5	149.5	-79.5	-23.8	0	0	0	107.5	Q793	Q793-D795 PolarHBondContact O-N 2.89Å
796	I	34.1	Very low	50.5	Low	220 Å²	220	112.4 Å²	112.4	100%	1.128	65%	0.654	S	S	*	*			trans	-151.4	0	153.8	-52.9	-177.4	0	0	0	104.9	S794	S794-I796 PolarHBondContact O-N 3.42Å

Retrieved 796 of 796 residues in 1673.4 ms (Link to these results)

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