A0A087YPI9_POEFO Loading...

E3 ubiquitin-protein ligase UHRF

Multi domain E3 ubiquitin ligase that also plays a role in DNA methylation and histone modifications.

AlphaFold DB , UniProt , Accession A0A087YPI9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 922 aa.

						>A0A087YPI9_POEFO|A0A087YPI9
MWIQVRTIDGKETRTVEDLSRLTKIESLRLKIQDIFNVSPQQQRLFYRGKQMEDGLTLFDYNVGLNDIVQLLIRSQTDPPDSPATKDASGVASSSAPLPDSKPENLRAPVSSAEVETSSDTDNKNEGDRATVNETKPETVAASTKNGFRSSSPAQDTQPPTSSRSTLVNPGIGLYKINELVDCRDVSIGAWFEACIENVTLSPKGQITPTKGKVGRPPKRTNGKLEAEQAQAHGQGQTTDNNRNNPVLNSESNGASTSQKDSTTETKEKEEDIAYHIKYEDYPENGVVEMRSVDVRPRARTLLRWDQLQVGLQVMVNYNMETPDERGFWYDAEIVAINQTSRTNKELRVNILLGGPEDVIGDCKVQFLDEIYQVEKPGARPLSSADGQFKRKSGPECKHCKADPDAECRFCSCCVCGGKQDAHMQLLCDECNMAFHIYCLNPPLATIPDDEDWYCPTCKNDTSEVVKAGEKLKASKKKAKMPSATTESHRDWGKGMACVGRTKECTIVPSNHYGPIPGIPVGTTWKFRVQVSEAGVHRPHVGGIHGRSNDGSYSLVLAGGFEDEVDRGDEFTYTGSGGRDLSGNKRIGEHSFDQTLTHMNRALALNCDAPLNDKDGAESRNWRAGKPVRVVRSSKGRRISKYAPEEGNRYDGIYKVVKYWPEIGKCGYLVWRYLLRRDDLEPAPWTPEGLERIKKLGLSVQYPPGYLAAMANKTKKEACARPGRGGRGKHYPGRGRPRRRKIKTKEEEEEEGLEEEDEEEGEEQGDEPPEAQMQEDAPQSNGEQKTTGETEPSPETEPPPPKRVKIEETFQLTEQQQQLIQDDAANKKLWDEAMEHIKEGPNFLRKLEQIFMCVCCQELAFQPITTVCSHNVCKTCLQRSFRAAVYTCPACRHDLGKDYVMNQNKKLQILLDQFFPGYSKGR
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	74.5	Confident	79.8	Confident	64 Å²	64	63.2 Å²	63.2	32%	0.315	31%	0.311	S	S	.	.				0	162.9	0	59.8	171.8	-83.5	0	0	109.7	I3 L19 R21 L58 V63 G64 L65	M1-I3 HydrophobicContact CE-CG2 3.56Å; M1-L19 HydrophobicContact CG-CB 4.12Å; M1-L19 WeakPolarHBondContact CG-O 3.04Å; M1-L19 PolarHBondContact N-O 3.35Å; M1-L19 WeakPolarHBondContact O-CB 3.38Å; M1-L19 PolarHBondContact O-N 3.01Å; M1-R21 HydrophobicContact SD-CG 3.75Å; M1-L58 HydrophobicContact CE-CD1 4.36Å; M1-V63 HydrophobicContact CE-CG1 4.41Å; M1-G64 WeakPolarHBondContact CE-O 3.27Å; M1-L65 HydrophobicContact CB-CB 4.49Å; M1-L65 HydrophobicContact CB-CD1 4.28Å
2	W	81.6	Confident	79.7	Confident	90 Å²	90	63.7 Å²	63.7	34%	0.341	31%	0.312	S	S	.	.			trans	-133.3	156.5	175	59.9	-98.2	0	0	0	110	Q4 T15 V16 E17 L65 N66	W2-Q4 HydrophobicContact CZ3-CG 4.06Å; W2-T15 HydrophobicContact CB-CG2 4.13Å; W2-T15 HydrophobicContact CD2-CG2 4.02Å; W2-T15 HydrophobicContact CE3-CG2 3.49Å; W2-T15 VanDerWaalsContact CE3-CG2 3.49Å; W2-T15 HydrophobicContact CG-CG2 4.33Å; W2-T15 HydrophobicContact CZ3-CG2 4.07Å; W2-V16 VanDerWaalsContact CA-O 3.3Å; W2-V16 WeakPolarHBondContact CA-O 3.11Å; W2-V16 WeakPolarHBondContact CB-O 3.36Å; W2-E17 HydrophobicContact CB-CB 4.47Å; W2-E17 HydrophobicContact CB-CG 3.94Å; W2-L65 HydrophobicContact CZ2-CD2 4.26Å; W2-L65 WeakPolarHBondContact O-CA 3.28Å; W2-N66 HydrophobicContact CE3-CB 4.27Å; W2-N66 HydrophobicContact CH2-CB 3.49Å; W2-N66 VanDerWaalsContact CH2-CB 3.49Å; W2-N66 WeakPolarHBondContact CH2-OD1 3.48Å; W2-N66 HydrophobicContact CZ2-CB 3.95Å; W2-N66 HydrophobicContact CZ3-CB 3.66Å; W2-N66 WeakPolarHBondContact CZ3-OD1 3.4Å; W2-N66 PolarHBondContact O-N 2.77Å
3	I	91.5	Very high	80.3	Confident	0 Å²	0	62.8 Å²	62.8	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	160.5	178.6	70.5	-178.6	0	0	0	109.9	M1 V5 T15 V16 L19 L28 V63 V69	M1-I3 HydrophobicContact CE-CG2 3.56Å; I3-V5 HydrophobicContact CD1-CG2 4.11Å; I3-V5 HydrophobicContact CG1-CG2 4.24Å; I3-T15 WeakPolarHBondContact O-CA 3.12Å; I3-V16 HydrophobicContact CG1-CB 4.11Å; I3-V16 PolarHBondContact N-O 3.14Å; I3-V16 PolarHBondContact O-N 3.34Å; I3-L19 HydrophobicContact CB-CD1 4.28Å; I3-L19 HydrophobicContact CD1-CD1 3.66Å; I3-L19 HydrophobicContact CG1-CD1 3.57Å; I3-L19 HydrophobicContact CG2-CD1 3.98Å; I3-L28 HydrophobicContact CD1-CD1 3.95Å; I3-L28 HydrophobicContact CD1-CD2 3.86Å; I3-V63 HydrophobicContact CG2-CG1 3.79Å; I3-V69 HydrophobicContact CD1-CB 4.3Å; I3-V69 HydrophobicContact CD1-CG2 3.83Å
4	Q	84.9	Confident	80.7	Confident	47 Å²	47	66.7 Å²	66.7	22%	0.22	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	131.9	164.6	-60.1	-168.7	16.7	0	0	109.3	W2 T13 N66 D67 I68 V69	W2-Q4 HydrophobicContact CZ3-CG 4.06Å; Q4-T13 HydrophobicContact CB-CG2 4.05Å; Q4-N66 PolarHBondContact NE2-OD1 3.13Å; Q4-D67 PolarHBondContact N-O 2.89Å; Q4-I68 HydrophobicContact CB-CG1 4.15Å; Q4-I68 CarbonylContact O-C 3.49Å; Q4-I68 WeakPolarHBondContact O-CA 3.36Å; Q4-V69 PolarHBondContact O-N 3.41Å
5	V	92.2	Very high	81.4	Confident	0 Å²	0	66.2 Å²	66.2	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	126.5	165.5	174.6	0	0	0	0	108.2	I3 T13 R14 V16 I32 F36 V69 L71	I3-V5 HydrophobicContact CD1-CG2 4.11Å; I3-V5 HydrophobicContact CG1-CG2 4.24Å; V5-T13 CarbonylContact O-C 3.52Å; V5-T13 VanDerWaalsContact O-CA 3.28Å; V5-T13 WeakPolarHBondContact O-CA 3.31Å; V5-R14 PolarHBondContact N-O 2.7Å; V5-R14 PolarHBondContact O-N 2.66Å; V5-V16 HydrophobicContact CB-CG2 4.05Å; V5-V16 HydrophobicContact CG2-CB 4.43Å; V5-V16 HydrophobicContact CG2-CG2 3.49Å; V5-V16 VanDerWaalsContact CG2-CG2 3.49Å; V5-I32 HydrophobicContact CB-CD1 4.44Å; V5-I32 HydrophobicContact CG1-CD1 4.01Å; V5-I32 HydrophobicContact CG1-CG1 4.33Å; V5-I32 HydrophobicContact CG1-CG2 4.48Å; V5-I32 HydrophobicContact CG2-CD1 3.63Å; V5-I32 HydrophobicContact CG2-CG1 3.97Å; V5-F36 HydrophobicContact CB-CE2 3.8Å; V5-F36 HydrophobicContact CB-CZ 4.09Å; V5-F36 HydrophobicContact CG1-CD2 4.3Å; V5-F36 HydrophobicContact CG1-CE2 3.56Å; V5-F36 HydrophobicContact CG1-CZ 3.82Å; V5-F36 WeakPolarHBondContact O-CZ 3.39Å; V5-V69 CarbonylContact C-O 3.55Å; V5-V69 WeakPolarHBondContact CA-O 3.46Å; V5-V69 HydrophobicContact CG2-CB 4.34Å; V5-L71 HydrophobicContact CG1-CB 3.82Å; V5-L71 HydrophobicContact CG1-CD2 4.33Å
6	R	89.1	Confident	81.9	Confident	87 Å²	87	62.1 Å²	62.1	33%	0.328	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	132.1	-176.7	175.1	171.4	-61.6	166.1	10.2	110.3	E12 T13 I68 V69 Q70 L71	R6-E12 CarbonylContact C-O 3.51Å; R6-E12 WeakPolarHBondContact CA-O 3.45Å; R6-T13 HydrophobicContact CB-CG2 4.14Å; R6-T13 VanDerWaalsContact CG-OG1 3.3Å; R6-T13 WeakPolarHBondContact CG-OG1 3.46Å; R6-T13 PolarHBondContact NE-OG1 2.69Å; R6-I68 HydrophobicContact CB-CG2 3.76Å; R6-V69 PolarHBondContact N-O 3.47Å; R6-Q70 CarbonylContact O-C 3.51Å; R6-Q70 VanDerWaalsContact O-CA 3.29Å; R6-Q70 WeakPolarHBondContact O-CA 3.46Å; R6-L71 PolarHBondContact O-N 2.78Å
7	T	80.2	Confident	82.1	Confident	11 Å²	11	65.3 Å²	65.3	7%	0.067	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.4	142	172.6	58.6	0	0	0	0	110.3	D9 G10 K11 E12 F36 L71 I73	T7-D9 WeakPolarHBondContact CB-OD1 3.36Å; T7-D9 PolarHBondContact O-N 2.86Å; T7-D9 VanDerWaalsContact O-N 3.07Å; T7-D9 PolarHBondContact OG1-OD1 3.2Å; T7-G10 WeakPolarHBondContact O-CA 3.41Å; T7-G10 PolarHBondContact O-N 2.92Å; T7-K11 PolarHBondContact OG1-N 2.94Å; T7-E12 HydrophobicContact CG2-CB 3.98Å; T7-E12 PolarHBondContact N-O 3.47Å; T7-E12 PolarHBondContact OG1-N 3.1Å; T7-E12 PolarHBondContact OG1-O 3.33Å; T7-F36 HydrophobicContact CG2-CD1 4.31Å; T7-F36 HydrophobicContact CG2-CE1 4.1Å; T7-L71 CarbonylContact C-O 3.22Å; T7-L71 WeakPolarHBondContact CA-O 3.43Å; T7-I73 HydrophobicContact CG2-CD1 4.42Å
8	I	75.7	Confident	82.2	Confident	87 Å²	87	69.7 Å²	69.7	45%	0.446	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-17.6	-173	-161.8	167.5	0	0	0	113.8	G10 L71 L72	I8-G10 VanDerWaalsContact C-N 3.31Å; I8-L71 PolarHBondContact N-O 2.81Å; I8-L72 HydrophobicContact CB-CB 4.41Å; I8-L72 HydrophobicContact CD1-CB 4.22Å; I8-L72 HydrophobicContact CG2-CB 4.05Å; I8-L72 HydrophobicContact CG2-CD1 3.82Å
9	D	70.8	Confident	82.2	Confident	89 Å²	89	66.5 Å²	66.5	48%	0.476	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.1	2.6	172	70.7	-12.2	0	0	0	113.9	T7 K11	T7-D9 WeakPolarHBondContact CB-OD1 3.36Å; T7-D9 PolarHBondContact O-N 2.86Å; T7-D9 VanDerWaalsContact O-N 3.07Å; T7-D9 PolarHBondContact OG1-OD1 3.2Å; D9-K11 PolarHBondContact O-N 3.49Å; D9-K11 PolarHBondContact OD1-N 3.13Å; D9-K11 WeakPolarHBondContact OD2-CG 3.48Å; D9-K11 IonicContact OD2-NZ 2.86Å; D9-K11 PolarHBondContact OD2-NZ 2.87Å
10	G	68.8	Low	82.2	Confident	46 Å²	46	66.2 Å²	66.2	47%	0.474	33%	0.333	S	S	.	.	S	Bend	trans	74.6	-2.1	177	0	0	0	0	0	116	T7 I8	T7-G10 WeakPolarHBondContact O-CA 3.41Å; T7-G10 PolarHBondContact O-N 2.92Å; I8-G10 VanDerWaalsContact C-N 3.31Å
11	K	68.8	Low	81.5	Confident	174 Å²	174	66.8 Å²	66.8	76%	0.757	33%	0.332	S	S	*	.	S	Bend	trans	-72.7	-33.4	-170.2	-66	-162.7	-165.6	90	0	114.5	T7 D9	T7-K11 PolarHBondContact OG1-N 2.94Å; D9-K11 PolarHBondContact O-N 3.49Å; D9-K11 PolarHBondContact OD1-N 3.13Å; D9-K11 WeakPolarHBondContact OD2-CG 3.48Å; D9-K11 IonicContact OD2-NZ 2.86Å; D9-K11 PolarHBondContact OD2-NZ 2.87Å
12	E	77.9	Confident	81.7	Confident	69 Å²	69	69.2 Å²	69.2	32%	0.322	35%	0.345	S	S	.	.			trans	-129.8	135.7	-177.2	-170.3	169.5	-153.8	0	0	110.5	R6 T7 R14 F36	R6-E12 CarbonylContact C-O 3.51Å; R6-E12 WeakPolarHBondContact CA-O 3.45Å; T7-E12 HydrophobicContact CG2-CB 3.98Å; T7-E12 PolarHBondContact N-O 3.47Å; T7-E12 PolarHBondContact OG1-N 3.1Å; T7-E12 PolarHBondContact OG1-O 3.33Å; E12-R14 HydrophobicContact CG-CG 4.36Å; E12-R14 IonicContact OE1-CZ 3.14Å; E12-R14 IonicContact OE1-NE 2.73Å; E12-R14 PolarHBondContact OE1-NE 3.44Å; E12-R14 IonicContact OE1-NH2 3.3Å; E12-R14 PolarHBondContact OE1-NH2 2.87Å; E12-F36 HydrophobicContact CB-CE1 4.33Å; E12-F36 HydrophobicContact CG-CD1 4.48Å; E12-F36 HydrophobicContact CG-CE1 3.87Å
13	T	88.3	Confident	82	Confident	53 Å²	53	66.1 Å²	66.1	33%	0.325	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	131.6	172.8	-56.9	0	0	0	0	108.4	Q4 V5 R6	Q4-T13 HydrophobicContact CB-CG2 4.05Å; V5-T13 CarbonylContact O-C 3.52Å; V5-T13 VanDerWaalsContact O-CA 3.28Å; V5-T13 WeakPolarHBondContact O-CA 3.31Å; R6-T13 HydrophobicContact CB-CG2 4.14Å; R6-T13 VanDerWaalsContact CG-OG1 3.3Å; R6-T13 WeakPolarHBondContact CG-OG1 3.46Å; R6-T13 PolarHBondContact NE-OG1 2.69Å
14	R	85.9	Confident	82	Confident	117 Å²	117	70.2 Å²	70.2	44%	0.442	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	146.5	176.1	-58.9	-169.6	-172.4	-171.5	10.1	110.2	V5 E12 I35 F36	V5-R14 PolarHBondContact N-O 2.7Å; V5-R14 PolarHBondContact O-N 2.66Å; E12-R14 HydrophobicContact CG-CG 4.36Å; E12-R14 IonicContact OE1-CZ 3.14Å; E12-R14 IonicContact OE1-NE 2.73Å; E12-R14 PolarHBondContact OE1-NE 3.44Å; E12-R14 IonicContact OE1-NH2 3.3Å; E12-R14 PolarHBondContact OE1-NH2 2.87Å; R14-I35 HydrophobicContact CB-CG2 3.8Å; R14-I35 HydrophobicContact CG-CG2 4.32Å; R14-I35 PolarHBondContact NH1-O 2.88Å; R14-F36 HydrophobicContact CB-CE2 4.06Å; R14-F36 HydrophobicContact CB-CZ 3.82Å; R14-F36 HydrophobicContact CG-CE1 4.37Å; R14-F36 HydrophobicContact CG-CE2 4.49Å; R14-F36 HydrophobicContact CG-CZ 3.98Å
15	T	90.6	Very high	82.5	Confident	59 Å²	59	68 Å²	68	36%	0.362	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	143.1	174.1	-41.9	0	0	0	0	110.1	W2 I3 E17	W2-T15 HydrophobicContact CB-CG2 4.13Å; W2-T15 HydrophobicContact CD2-CG2 4.02Å; W2-T15 HydrophobicContact CE3-CG2 3.49Å; W2-T15 VanDerWaalsContact CE3-CG2 3.49Å; W2-T15 HydrophobicContact CG-CG2 4.33Å; W2-T15 HydrophobicContact CZ3-CG2 4.07Å; I3-T15 WeakPolarHBondContact O-CA 3.12Å; T15-E17 HydrophobicContact CG2-CG 3.72Å; T15-E17 WeakPolarHBondContact CG2-OE1 3.42Å
16	V	90.3	Very high	82.5	Confident	0 Å²	0	71.3 Å²	71.3	0%	0	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	117.2	167.4	-173.1	0	0	0	0	108.2	W2 I3 V5 L19 L28 K31 I32 I35	W2-V16 VanDerWaalsContact CA-O 3.3Å; W2-V16 WeakPolarHBondContact CA-O 3.11Å; W2-V16 WeakPolarHBondContact CB-O 3.36Å; I3-V16 HydrophobicContact CG1-CB 4.11Å; I3-V16 PolarHBondContact N-O 3.14Å; I3-V16 PolarHBondContact O-N 3.34Å; V5-V16 HydrophobicContact CB-CG2 4.05Å; V5-V16 HydrophobicContact CG2-CB 4.43Å; V5-V16 HydrophobicContact CG2-CG2 3.49Å; V5-V16 VanDerWaalsContact CG2-CG2 3.49Å; V16-L19 HydrophobicContact CB-CD1 4.27Å; V16-L19 HydrophobicContact CG1-CD1 4.09Å; V16-L19 HydrophobicContact CG1-CD2 4.32Å; V16-L19 HydrophobicContact CG1-CG 4.38Å; V16-L19 WeakPolarHBondContact O-CD1 3.39Å; V16-L28 HydrophobicContact CG1-CD1 3.92Å; V16-K31 HydrophobicContact CG1-CB 3.84Å; V16-K31 HydrophobicContact CG1-CD 3.99Å; V16-I32 HydrophobicContact CG2-CG1 4.22Å; V16-I35 HydrophobicContact CB-CD1 4.27Å; V16-I35 HydrophobicContact CG1-CD1 4.05Å; V16-I35 HydrophobicContact CG2-CD1 3.83Å
17	E	84.8	Confident	82.7	Confident	117 Å²	117	69.8 Å²	69.8	55%	0.547	36%	0.362	S	S	.	.			trans	-106.1	175.9	-168.4	-66.3	169	-167.2	0	0	111.2	W2 T15 L19 K31	W2-E17 HydrophobicContact CB-CB 4.47Å; W2-E17 HydrophobicContact CB-CG 3.94Å; T15-E17 HydrophobicContact CG2-CG 3.72Å; T15-E17 WeakPolarHBondContact CG2-OE1 3.42Å; E17-L19 PolarHBondContact O-N 2.84Å; E17-K31 PolarHBondContact O-NZ 3.03Å
18	D	83.6	Confident	83.4	Confident	145 Å²	145	69.2 Å²	69.2	78%	0.775	36%	0.358	S	S	*	.	S	Bend	trans	49.5	47.7	-176.4	-53.5	-37.9	0	0	0	114.5	K31	D18-K31 VanDerWaalsContact C-NZ 3.34Å; D18-K31 PolarHBondContact O-NZ 3.15Å
19	L	82.5	Confident	84.3	Confident	9 Å²	9	66 Å²	66	5%	0.047	34%	0.34	C	S	.	.			trans	-101.8	152.2	174.4	-60.2	171.7	0	0	0	111	M1 I3 V16 E17 T23 L28 K31 L58	M1-L19 HydrophobicContact CG-CB 4.12Å; M1-L19 WeakPolarHBondContact CG-O 3.04Å; M1-L19 PolarHBondContact N-O 3.35Å; M1-L19 WeakPolarHBondContact O-CB 3.38Å; M1-L19 PolarHBondContact O-N 3.01Å; I3-L19 HydrophobicContact CB-CD1 4.28Å; I3-L19 HydrophobicContact CD1-CD1 3.66Å; I3-L19 HydrophobicContact CG1-CD1 3.57Å; I3-L19 HydrophobicContact CG2-CD1 3.98Å; V16-L19 HydrophobicContact CB-CD1 4.27Å; V16-L19 HydrophobicContact CG1-CD1 4.09Å; V16-L19 HydrophobicContact CG1-CD2 4.32Å; V16-L19 HydrophobicContact CG1-CG 4.38Å; V16-L19 WeakPolarHBondContact O-CD1 3.39Å; E17-L19 PolarHBondContact O-N 2.84Å; L19-T23 HydrophobicContact CD2-CG2 3.9Å; L19-L28 HydrophobicContact CD1-CD1 4.14Å; L19-L28 HydrophobicContact CD2-CD1 4.01Å; L19-K31 HydrophobicContact CD2-CD 4.02Å; L19-L58 HydrophobicContact CB-CD1 4.17Å; L19-L58 HydrophobicContact CD1-CD1 4.13Å
20	S	82.9	Confident	85.3	Confident	60 Å²	60	66.3 Å²	66.3	42%	0.42	34%	0.342	S	S	.	.			trans	-113.9	158.5	166.7	175.6	0	0	0	0	109.2	L22 T23	S20-L22 PolarHBondContact O-N 2.88Å; S20-L22 PolarHBondContact OG-N 2.82Å; S20-T23 PolarHBondContact N-OG1 2.87Å; S20-T23 VanDerWaalsContact O-CB 3.24Å; S20-T23 WeakPolarHBondContact O-CB 3.42Å; S20-T23 PolarHBondContact O-N 2.88Å; S20-T23 PolarHBondContact O-OG1 2.82Å
21	R	67.9	Low	86.5	Confident	79 Å²	79	67.3 Å²	67.3	30%	0.298	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60	-29.9	167.6	-83.7	-161.5	175.5	152.3	9.6	111.5	M1 T23 L58 F59 V63 S187	M1-R21 HydrophobicContact SD-CG 3.75Å; R21-T23 VanDerWaalsContact C-N 3.27Å; R21-T23 PolarHBondContact O-N 3.17Å; R21-L58 CarbonylContact O-C 3.49Å; R21-L58 WeakPolarHBondContact O-CA 3.45Å; R21-L58 WeakPolarHBondContact O-CB 3.47Å; R21-L58 PolarHBondContact O-N 2.84Å; R21-F59 HydrophobicContact CB-CB 4.12Å; R21-F59 HydrophobicContact CB-CD2 4.27Å; R21-F59 WeakPolarHBondContact O-CB 3.37Å; R21-F59 PolarHBondContact O-N 3.42Å; R21-V63 PolarHBondContact NE-O 2.92Å; R21-S187 PolarHBondContact NH1-OG 2.83Å
22	L	78.4	Confident	87.7	Confident	114 Å²	114	59 Å²	59	60%	0.597	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.9	4.8	173.2	-59.6	-178.8	0	0	0	114.1	S20 K24 F59	S20-L22 PolarHBondContact O-N 2.88Å; S20-L22 PolarHBondContact OG-N 2.82Å; L22-K24 PolarHBondContact O-N 2.95Å; L22-F59 HydrophobicContact CD2-CB 4.45Å
23	T	86.3	Confident	88.4	Confident	25 Å²	25	59 Å²	59	15%	0.153	30%	0.297	C	S	.	.			trans	-65.2	122.1	172.7	-64.9	0	0	0	0	109.6	L19 S20 R21 T57 L58	L19-T23 HydrophobicContact CD2-CG2 3.9Å; S20-T23 PolarHBondContact N-OG1 2.87Å; S20-T23 VanDerWaalsContact O-CB 3.24Å; S20-T23 WeakPolarHBondContact O-CB 3.42Å; S20-T23 PolarHBondContact O-N 2.88Å; S20-T23 PolarHBondContact O-OG1 2.82Å; R21-T23 VanDerWaalsContact C-N 3.27Å; R21-T23 PolarHBondContact O-N 3.17Å; T23-T57 WeakPolarHBondContact O-CA 3.4Å; T23-L58 PolarHBondContact O-N 3.36Å
24	K	92.3	Very high	88.3	Confident	86 Å²	86	63.1 Å²	63.1	37%	0.374	32%	0.317	S	S	.	.	B	Isolated β-bridge	trans	-69.4	152.2	176.2	-70.3	-172.2	178.7	-172.8	0	112.8	L22 E26 S27 L28 L56 T57	L22-K24 PolarHBondContact O-N 2.95Å; K24-E26 VanDerWaalsContact C-N 3.29Å; K24-E26 HydrophobicContact CB-CG 3.81Å; K24-E26 HydrophobicContact CD-CG 4.12Å; K24-E26 WeakPolarHBondContact CD-OE1 3.47Å; K24-E26 IonicContact NZ-OE1 2.83Å; K24-E26 PolarHBondContact NZ-OE1 3.15Å; K24-E26 PolarHBondContact O-N 3.02Å; K24-S27 WeakPolarHBondContact O-CB 3.44Å; K24-S27 PolarHBondContact O-N 2.64Å; K24-L28 PolarHBondContact O-N 2.96Å; K24-L56 CarbonylContact C-O 3.53Å; K24-L56 WeakPolarHBondContact CA-O 3.41Å; K24-T57 HydrophobicContact CG-CG2 4.04Å
25	I	95.4	Very high	88.5	Confident	0 Å²	0	59.8 Å²	59.8	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-63.4	-37	179.6	-51.3	-45.5	0	0	0	111.3	S27 L28 R29 L45 M52 E53 L56 L58 Y61	I25-S27 VanDerWaalsContact C-N 3.26Å; I25-S27 PolarHBondContact O-N 2.64Å; I25-L28 PolarHBondContact O-N 2.7Å; I25-L28 VanDerWaalsContact O-N 3.16Å; I25-R29 VanDerWaalsContact O-CG 3.31Å; I25-R29 WeakPolarHBondContact O-CG 3.48Å; I25-R29 PolarHBondContact O-N 2.71Å; I25-L45 HydrophobicContact CG2-CD1 4.1Å; I25-M52 HydrophobicContact CD1-CB 4.22Å; I25-M52 HydrophobicContact CD1-CE 3.76Å; I25-M52 HydrophobicContact CG1-CB 4.1Å; I25-M52 HydrophobicContact CG2-CB 3.81Å; I25-E53 VanDerWaalsContact CB-O 3.31Å; I25-E53 WeakPolarHBondContact CB-O 3.49Å; I25-E53 WeakPolarHBondContact CG1-O 3.47Å; I25-L56 WeakPolarHBondContact CG1-O 3.38Å; I25-L56 PolarHBondContact N-O 2.81Å; I25-L58 HydrophobicContact CD1-CD2 3.98Å; I25-Y61 HydrophobicContact CD1-CD2 4Å; I25-Y61 HydrophobicContact CD1-CE2 4.13Å; I25-Y61 HydrophobicContact CG1-CD2 4.3Å; I25-Y61 HydrophobicContact CG1-CE2 3.9Å
26	E	93.2	Very high	88.4	Confident	71 Å²	71	57.9 Å²	57.9	33%	0.332	29%	0.294	S	S	.	.	H	α-helix	trans	-55.4	-40.2	172.6	67	-144.4	-149.2	0	0	112.5	K24 L30 D54 G55	K24-E26 VanDerWaalsContact C-N 3.29Å; K24-E26 HydrophobicContact CB-CG 3.81Å; K24-E26 HydrophobicContact CD-CG 4.12Å; K24-E26 WeakPolarHBondContact CD-OE1 3.47Å; K24-E26 IonicContact NZ-OE1 2.83Å; K24-E26 PolarHBondContact NZ-OE1 3.15Å; K24-E26 PolarHBondContact O-N 3.02Å; E26-L30 PolarHBondContact O-N 2.82Å; E26-D54 HydrophobicContact CB-CB 4.15Å; E26-D54 PolarHBondContact N-OD1 2.82Å; E26-G55 WeakPolarHBondContact OE2-CA 3.47Å; E26-G55 PolarHBondContact OE2-N 3.47Å
27	S	92.5	Very high	88.3	Confident	54 Å²	54	65 Å²	65	38%	0.378	33%	0.332	S	S	.	.	H	α-helix	trans	-75.7	-36.1	177.8	-45.9	0	0	0	0	112.4	K24 I25 R29 L30 K31	K24-S27 WeakPolarHBondContact O-CB 3.44Å; K24-S27 PolarHBondContact O-N 2.64Å; I25-S27 VanDerWaalsContact C-N 3.26Å; I25-S27 PolarHBondContact O-N 2.64Å; S27-R29 VanDerWaalsContact C-N 3.34Å; S27-L30 PolarHBondContact O-N 2.79Å; S27-K31 PolarHBondContact O-N 2.92Å
28	L	94.8	Very high	88.4	Confident	0 Å²	0	60 Å²	60	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-63.9	-39.9	172.7	175	60.6	0	0	0	111.2	I3 V16 L19 K24 I25 L30 K31 I32 L45 L58	I3-L28 HydrophobicContact CD1-CD1 3.95Å; I3-L28 HydrophobicContact CD1-CD2 3.86Å; V16-L28 HydrophobicContact CG1-CD1 3.92Å; L19-L28 HydrophobicContact CD1-CD1 4.14Å; L19-L28 HydrophobicContact CD2-CD1 4.01Å; K24-L28 PolarHBondContact O-N 2.96Å; I25-L28 PolarHBondContact O-N 2.7Å; I25-L28 VanDerWaalsContact O-N 3.16Å; L28-L30 VanDerWaalsContact C-N 3.28Å; L28-L30 PolarHBondContact O-N 3.18Å; L28-K31 PolarHBondContact O-N 3.42Å; L28-I32 HydrophobicContact CD1-CD1 3.85Å; L28-I32 HydrophobicContact CD1-CG1 4.02Å; L28-I32 HydrophobicContact CD2-CD1 4.18Å; L28-I32 HydrophobicContact CG-CD1 3.69Å; L28-I32 HydrophobicContact CG-CG1 4.28Å; L28-I32 WeakPolarHBondContact O-CG1 3.38Å; L28-I32 PolarHBondContact O-N 2.89Å; L28-L45 HydrophobicContact CD2-CD1 3.92Å; L28-L45 HydrophobicContact CG-CD1 4.05Å; L28-L58 HydrophobicContact CD2-CD2 3.96Å
29	R	94	Very high	88.5	Confident	18 Å²	18	54.5 Å²	54.5	7%	0.068	28%	0.282	C	S	.	.	H	α-helix	trans	-59.9	-37.3	177.3	-71.3	168.6	-175.3	-81	-3.4	112.7	I25 S27 I32 Q33 P40 Q43 L45 M52 D54	I25-R29 VanDerWaalsContact O-CG 3.31Å; I25-R29 WeakPolarHBondContact O-CG 3.48Å; I25-R29 PolarHBondContact O-N 2.71Å; S27-R29 VanDerWaalsContact C-N 3.34Å; R29-I32 PolarHBondContact O-N 2.85Å; R29-Q33 PolarHBondContact O-N 3.15Å; R29-P40 HydrophobicContact CB-CB 4.01Å; R29-P40 HydrophobicContact CB-CG 4.4Å; R29-P40 PolarHBondContact NH1-O 2.84Å; R29-Q43 VanDerWaalsContact CA-OE1 3.25Å; R29-Q43 PolarHBondContact NH1-O 2.86Å; R29-Q43 PolarHBondContact O-NE2 2.97Å; R29-Q43 PolarHBondContact O-OE1 3.32Å; R29-L45 HydrophobicContact CG-CD1 3.81Å; R29-L45 HydrophobicContact CG-CG 4.46Å; R29-M52 PolarHBondContact NH2-O 3.41Å; R29-D54 VanDerWaalsContact CD-OD1 3.26Å; R29-D54 WeakPolarHBondContact CD-OD1 3.39Å; R29-D54 IonicContact CZ-OD1 3.74Å; R29-D54 IonicContact NE-OD1 2.68Å; R29-D54 PolarHBondContact NE-OD1 2.85Å; R29-D54 IonicContact NE-OD2 2.78Å; R29-D54 IonicContact NH2-OD1 2.72Å
30	L	93.4	Very high	88.8	Confident	97 Å²	97	55.1 Å²	55.1	51%	0.508	29%	0.287	S	S	.	.	H	α-helix	trans	-64	-48.3	174.4	-67.2	169.8	0	0	0	110.9	E26 S27 L28 I32 Q33 D34 P40	E26-L30 PolarHBondContact O-N 2.82Å; S27-L30 PolarHBondContact O-N 2.79Å; L28-L30 VanDerWaalsContact C-N 3.28Å; L28-L30 PolarHBondContact O-N 3.18Å; L30-I32 VanDerWaalsContact C-N 3.27Å; L30-I32 PolarHBondContact O-N 3.18Å; L30-Q33 VanDerWaalsContact O-CB 3.3Å; L30-Q33 WeakPolarHBondContact O-CB 3.25Å; L30-Q33 PolarHBondContact O-N 3.47Å; L30-D34 PolarHBondContact O-N 2.85Å; L30-P40 HydrophobicContact CD2-CG 4.12Å
31	K	93.1	Very high	88.7	Confident	66 Å²	66	59.5 Å²	59.5	29%	0.287	30%	0.301	S	S	.	.	H	α-helix	trans	-59.1	-37.7	174	-67.3	-159.7	178.8	-162	0	113	V16 E17 D18 L19 S27 L28 Q33 D34 I35	V16-K31 HydrophobicContact CG1-CB 3.84Å; V16-K31 HydrophobicContact CG1-CD 3.99Å; E17-K31 PolarHBondContact O-NZ 3.03Å; D18-K31 VanDerWaalsContact C-NZ 3.34Å; D18-K31 PolarHBondContact O-NZ 3.15Å; L19-K31 HydrophobicContact CD2-CD 4.02Å; S27-K31 PolarHBondContact O-N 2.92Å; L28-K31 PolarHBondContact O-N 3.42Å; K31-Q33 VanDerWaalsContact C-N 3.33Å; K31-D34 PolarHBondContact O-N 2.91Å; K31-I35 WeakPolarHBondContact O-CB 3.12Å; K31-I35 WeakPolarHBondContact O-CD1 3.26Å; K31-I35 VanDerWaalsContact O-CG1 3.27Å; K31-I35 WeakPolarHBondContact O-CG1 3.44Å; K31-I35 PolarHBondContact O-N 2.72Å
32	I	93.9	Very high	89.2	Confident	0 Å²	0	57.9 Å²	57.9	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-70.3	-30.1	176.2	-69.2	173.3	0	0	0	111.7	V5 V16 L28 R29 L30 I35 F36 Q43 L45 L71	V5-I32 HydrophobicContact CB-CD1 4.44Å; V5-I32 HydrophobicContact CG1-CD1 4.01Å; V5-I32 HydrophobicContact CG1-CG1 4.33Å; V5-I32 HydrophobicContact CG1-CG2 4.48Å; V5-I32 HydrophobicContact CG2-CD1 3.63Å; V5-I32 HydrophobicContact CG2-CG1 3.97Å; V16-I32 HydrophobicContact CG2-CG1 4.22Å; L28-I32 HydrophobicContact CD1-CD1 3.85Å; L28-I32 HydrophobicContact CD1-CG1 4.02Å; L28-I32 HydrophobicContact CD2-CD1 4.18Å; L28-I32 HydrophobicContact CG-CD1 3.69Å; L28-I32 HydrophobicContact CG-CG1 4.28Å; L28-I32 WeakPolarHBondContact O-CG1 3.38Å; L28-I32 PolarHBondContact O-N 2.89Å; R29-I32 PolarHBondContact O-N 2.85Å; L30-I32 VanDerWaalsContact C-N 3.27Å; L30-I32 PolarHBondContact O-N 3.18Å; I32-I35 PolarHBondContact O-N 2.73Å; I32-F36 HydrophobicContact CG2-CD2 3.91Å; I32-F36 WeakPolarHBondContact O-CB 3.47Å; I32-F36 PolarHBondContact O-N 2.81Å; I32-Q43 HydrophobicContact CG2-CG 4.38Å; I32-L45 HydrophobicContact CD1-CD1 3.67Å; I32-L45 HydrophobicContact CD1-CD2 3.45Å; I32-L45 VanDerWaalsContact CD1-CD2 3.45Å; I32-L45 HydrophobicContact CD1-CG 4.21Å; I32-L71 HydrophobicContact CG2-CD1 4.37Å; I32-L71 HydrophobicContact CG2-CD2 3.82Å
33	Q	91.6	Very high	89.6	Confident	70 Å²	70	52.6 Å²	52.6	33%	0.327	27%	0.269	S	S	.	.	H	α-helix	trans	-62.3	-48.2	173.3	176.5	179.8	0.7	0	0	110.5	R29 L30 K31 I35 N37 V38 P40	R29-Q33 PolarHBondContact O-N 3.15Å; L30-Q33 VanDerWaalsContact O-CB 3.3Å; L30-Q33 WeakPolarHBondContact O-CB 3.25Å; L30-Q33 PolarHBondContact O-N 3.47Å; K31-Q33 VanDerWaalsContact C-N 3.33Å; Q33-I35 VanDerWaalsContact C-N 3.28Å; Q33-I35 PolarHBondContact O-N 2.92Å; Q33-N37 WeakPolarHBondContact O-CA 3.42Å; Q33-N37 PolarHBondContact O-N 2.9Å; Q33-V38 WeakPolarHBondContact CA-O 3.36Å; Q33-V38 WeakPolarHBondContact CB-O 3.38Å; Q33-V38 WeakPolarHBondContact CG-O 3.41Å; Q33-P40 HydrophobicContact CB-CG 4.48Å
34	D	86.9	Confident	89.6	Confident	139 Å²	139	55.9 Å²	55.9	74%	0.743	28%	0.278	S	S	*	.	H	α-helix	trans	-65.4	-32.7	-179.6	-61.2	-35.4	0	0	0	112.3	L30 K31	L30-D34 PolarHBondContact O-N 2.85Å; K31-D34 PolarHBondContact O-N 2.91Å
35	I	90.4	Very high	89.2	Confident	46 Å²	46	51.8 Å²	51.8	24%	0.236	26%	0.261	C	S	.	.	H	α-helix	trans	-85.9	-38	-175.1	-67.8	169.1	0	0	0	113	R14 V16 K31 I32 Q33	R14-I35 HydrophobicContact CB-CG2 3.8Å; R14-I35 HydrophobicContact CG-CG2 4.32Å; R14-I35 PolarHBondContact NH1-O 2.88Å; V16-I35 HydrophobicContact CB-CD1 4.27Å; V16-I35 HydrophobicContact CG1-CD1 4.05Å; V16-I35 HydrophobicContact CG2-CD1 3.83Å; K31-I35 WeakPolarHBondContact O-CB 3.12Å; K31-I35 WeakPolarHBondContact O-CD1 3.26Å; K31-I35 VanDerWaalsContact O-CG1 3.27Å; K31-I35 WeakPolarHBondContact O-CG1 3.44Å; K31-I35 PolarHBondContact O-N 2.72Å; I32-I35 PolarHBondContact O-N 2.73Å; Q33-I35 VanDerWaalsContact C-N 3.28Å; Q33-I35 PolarHBondContact O-N 2.92Å
36	F	88.3	Confident	88.4	Confident	20 Å²	20	53.6 Å²	53.6	9%	0.088	27%	0.269	C	S	.	.	H	α-helix	trans	-107.1	-5.6	-178.2	-72	-95.7	0	0	0	114	V5 T7 E12 R14 I32 V38 L71	V5-F36 HydrophobicContact CB-CE2 3.8Å; V5-F36 HydrophobicContact CB-CZ 4.09Å; V5-F36 HydrophobicContact CG1-CD2 4.3Å; V5-F36 HydrophobicContact CG1-CE2 3.56Å; V5-F36 HydrophobicContact CG1-CZ 3.82Å; V5-F36 WeakPolarHBondContact O-CZ 3.39Å; T7-F36 HydrophobicContact CG2-CD1 4.31Å; T7-F36 HydrophobicContact CG2-CE1 4.1Å; E12-F36 HydrophobicContact CB-CE1 4.33Å; E12-F36 HydrophobicContact CG-CD1 4.48Å; E12-F36 HydrophobicContact CG-CE1 3.87Å; R14-F36 HydrophobicContact CB-CE2 4.06Å; R14-F36 HydrophobicContact CB-CZ 3.82Å; R14-F36 HydrophobicContact CG-CE1 4.37Å; R14-F36 HydrophobicContact CG-CE2 4.49Å; R14-F36 HydrophobicContact CG-CZ 3.98Å; I32-F36 HydrophobicContact CG2-CD2 3.91Å; I32-F36 WeakPolarHBondContact O-CB 3.47Å; I32-F36 PolarHBondContact O-N 2.81Å; F36-V38 VanDerWaalsContact C-N 3.32Å; F36-V38 HydrophobicContact CB-CG2 4.07Å; F36-V38 PolarHBondContact O-N 3.48Å; F36-L71 HydrophobicContact CB-CD2 4.09Å; F36-L71 HydrophobicContact CD1-CD2 3.95Å; F36-L71 HydrophobicContact CD2-CD2 4.14Å; F36-L71 HydrophobicContact CE1-CD2 4.44Å; F36-L71 HydrophobicContact CG-CD2 3.78Å
37	N	88.3	Confident	87.8	Confident	150 Å²	150	50.4 Å²	50.4	80%	0.802	25%	0.253	S	S	*	.			trans	57.3	38.9	-173.9	-163.3	41.1	0	0	0	113.8	Q33	Q33-N37 WeakPolarHBondContact O-CA 3.42Å; Q33-N37 PolarHBondContact O-N 2.9Å
38	V	87.3	Confident	86.8	Confident	11 Å²	11	56.7 Å²	56.7	7%	0.067	27%	0.269	C	S	.	.			trans	-118.3	124	-179.1	-178.7	0	0	0	0	110.2	Q33 F36 Q42 Q43 I73	Q33-V38 WeakPolarHBondContact CA-O 3.36Å; Q33-V38 WeakPolarHBondContact CB-O 3.38Å; Q33-V38 WeakPolarHBondContact CG-O 3.41Å; F36-V38 VanDerWaalsContact C-N 3.32Å; F36-V38 HydrophobicContact CB-CG2 4.07Å; F36-V38 PolarHBondContact O-N 3.48Å; V38-Q42 HydrophobicContact CG1-CB 3.81Å; V38-Q43 HydrophobicContact CB-CG 4.18Å; V38-Q43 HydrophobicContact CG1-CG 3.72Å; V38-Q43 PolarHBondContact O-NE2 3.29Å; V38-I73 HydrophobicContact CG1-CG1 4.33Å; V38-I73 HydrophobicContact CG1-CG2 3.91Å; V38-I73 HydrophobicContact CG2-CD1 3.7Å; V38-I73 HydrophobicContact CG2-CG1 3.97Å; V38-I73 HydrophobicContact CG2-CG2 4.22Å
39	S	84.5	Confident	84.7	Confident	29 Å²	29	59.9 Å²	59.9	20%	0.203	30%	0.302	C	S	.	.			trans	-60.5	141.4	178.7	68.6	0	0	0	0	112.4	Q41 Q42 Q43	S39-Q41 PolarHBondContact O-N 2.89Å; S39-Q42 WeakPolarHBondContact O-CA 3.18Å; S39-Q42 WeakPolarHBondContact O-CB 3.48Å; S39-Q42 PolarHBondContact O-N 2.92Å; S39-Q42 WeakPolarHBondContact OG-CG 3.27Å; S39-Q42 PolarHBondContact OG-OE1 2.83Å; S39-Q43 PolarHBondContact O-N 2.75Å
40	P	89.1	Confident	82.6	Confident	23 Å²	23	64 Å²	64	15%	0.149	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.7	-33	-176.9	-33.1	37.8	0	0	0	114.8	R29 L30 Q33 Q42 Q43	R29-P40 HydrophobicContact CB-CB 4.01Å; R29-P40 HydrophobicContact CB-CG 4.4Å; R29-P40 PolarHBondContact NH1-O 2.84Å; L30-P40 HydrophobicContact CD2-CG 4.12Å; Q33-P40 HydrophobicContact CB-CG 4.48Å; P40-Q42 VanDerWaalsContact C-N 3.33Å; P40-Q43 PolarHBondContact O-N 3.4Å
41	Q	80.8	Confident	82.1	Confident	152 Å²	152	62.1 Å²	62.1	71%	0.71	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71	-26.3	178.8	-59.5	77.8	8.8	0	0	112.7	S39	S39-Q41 PolarHBondContact O-N 2.89Å
42	Q	79.1	Confident	81.8	Confident	45 Å²	45	59 Å²	59	21%	0.21	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.9	-19.9	173.1	-69.3	176	-97.6	0	0	112.8	V38 S39 P40 R74 Q76	V38-Q42 HydrophobicContact CG1-CB 3.81Å; S39-Q42 WeakPolarHBondContact O-CA 3.18Å; S39-Q42 WeakPolarHBondContact O-CB 3.48Å; S39-Q42 PolarHBondContact O-N 2.92Å; S39-Q42 WeakPolarHBondContact OG-CG 3.27Å; S39-Q42 PolarHBondContact OG-OE1 2.83Å; P40-Q42 VanDerWaalsContact C-N 3.33Å; Q42-R74 WeakPolarHBondContact CG-O 3.49Å; Q42-R74 PolarHBondContact NE2-O 2.83Å; Q42-R74 WeakPolarHBondContact O-CB 3.39Å; Q42-R74 WeakPolarHBondContact O-CG 3.36Å; Q42-R74 PolarHBondContact O-N 3.48Å; Q42-Q76 HydrophobicContact CG-CG 4.1Å
43	Q	86.4	Confident	81.3	Confident	3 Å²	3	64 Å²	64	1%	0.014	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	137.4	177.8	-59.3	174.6	24	0	0	111.2	R29 I32 V38 S39 P40 L71	R29-Q43 VanDerWaalsContact CA-OE1 3.25Å; R29-Q43 PolarHBondContact NH1-O 2.86Å; R29-Q43 PolarHBondContact O-NE2 2.97Å; R29-Q43 PolarHBondContact O-OE1 3.32Å; I32-Q43 HydrophobicContact CG2-CG 4.38Å; V38-Q43 HydrophobicContact CB-CG 4.18Å; V38-Q43 HydrophobicContact CG1-CG 3.72Å; V38-Q43 PolarHBondContact O-NE2 3.29Å; S39-Q43 PolarHBondContact O-N 2.75Å; P40-Q43 PolarHBondContact O-N 3.4Å; Q43-L71 HydrophobicContact CB-CD1 3.78Å; Q43-L71 HydrophobicContact CG-CD1 3.83Å
44	R	85.4	Confident	80.9	Confident	93 Å²	93	65 Å²	65	35%	0.351	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	114.8	155.7	-77.1	-176.6	169.6	-163.4	-1.5	108.6	F46 L72	R44-F46 HydrophobicContact CB-CD2 4.44Å; R44-F46 HydrophobicContact CB-CE2 3.64Å; R44-F46 HydrophobicContact CB-CZ 4.22Å; R44-L72 HydrophobicContact CB-CB 4.14Å; R44-L72 HydrophobicContact CB-CD2 4.32Å; R44-L72 HydrophobicContact CB-CG 4.46Å; R44-L72 PolarHBondContact N-O 3.5Å; R44-L72 PolarHBondContact O-N 2.81Å
45	L	85.7	Confident	80.3	Confident	0 Å²	0	60.4 Å²	60.4	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	138.8	178.5	-53.4	-179.2	0	0	0	108.9	I25 L28 R29 I32 M52 V69 Q70 L71	I25-L45 HydrophobicContact CG2-CD1 4.1Å; L28-L45 HydrophobicContact CD2-CD1 3.92Å; L28-L45 HydrophobicContact CG-CD1 4.05Å; R29-L45 HydrophobicContact CG-CD1 3.81Å; R29-L45 HydrophobicContact CG-CG 4.46Å; I32-L45 HydrophobicContact CD1-CD1 3.67Å; I32-L45 HydrophobicContact CD1-CD2 3.45Å; I32-L45 VanDerWaalsContact CD1-CD2 3.45Å; I32-L45 HydrophobicContact CD1-CG 4.21Å; L45-M52 HydrophobicContact CB-CB 4.06Å; L45-M52 HydrophobicContact CB-CG 4.24Å; L45-M52 HydrophobicContact CB-SD 3.89Å; L45-M52 PolarHBondContact O-N 3.09Å; L45-V69 HydrophobicContact CB-CG1 4.01Å; L45-V69 HydrophobicContact CD2-CG1 4.43Å; L45-Q70 CarbonylContact C-O 3.56Å; L45-Q70 WeakPolarHBondContact CA-O 3.41Å; L45-L71 HydrophobicContact CD2-CB 4.31Å; L45-L71 HydrophobicContact CD2-CD1 3.79Å
46	F	76.8	Confident	79.6	Confident	38 Å²	38	61.5 Å²	61.5	17%	0.167	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	140.4	176.6	-62.7	-98.3	0	0	0	110.7	R44 K50 Q51 V69 Q70 L72	R44-F46 HydrophobicContact CB-CD2 4.44Å; R44-F46 HydrophobicContact CB-CE2 3.64Å; R44-F46 HydrophobicContact CB-CZ 4.22Å; F46-K50 CarbonylContact C-O 3.54Å; F46-K50 WeakPolarHBondContact CA-O 3.36Å; F46-Q51 HydrophobicContact CD1-CB 3.84Å; F46-Q51 HydrophobicContact CD1-CG 4.21Å; F46-Q51 HydrophobicContact CE1-CB 3.61Å; F46-Q51 HydrophobicContact CE1-CG 3.81Å; F46-Q51 HydrophobicContact CZ-CB 4.34Å; F46-Q51 HydrophobicContact CZ-CG 4.03Å; F46-V69 CarbonylContact O-C 3.58Å; F46-V69 WeakPolarHBondContact O-CA 3.41Å; F46-Q70 HydrophobicContact CB-CB 4.25Å; F46-Q70 PolarHBondContact N-O 2.95Å; F46-Q70 PolarHBondContact O-N 2.98Å; F46-L72 HydrophobicContact CD2-CB 4.46Å; F46-L72 HydrophobicContact CE2-CB 3.93Å; F46-L72 HydrophobicContact CE2-CD2 4.08Å; F46-L72 HydrophobicContact CZ-CD2 4.48Å
47	Y	81	Confident	79.4	Confident	4 Å²	4	61.4 Å²	61.4	2%	0.016	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	129.7	174.9	176.8	-108.5	0	0	0	110.5	G49 K50 Y61 N62 V63 D67 V69	Y47-G49 PolarHBondContact O-N 2.9Å; Y47-K50 PolarHBondContact N-O 2.76Å; Y47-K50 WeakPolarHBondContact O-CB 3.17Å; Y47-K50 PolarHBondContact O-N 3.07Å; Y47-Y61 VanDerWaalsContact CD1-O 3.31Å; Y47-Y61 WeakPolarHBondContact CD1-O 3.44Å; Y47-Y61 WeakPolarHBondContact CE1-O 3.5Å; Y47-N62 VanDerWaalsContact CE1-O 3.31Å; Y47-N62 WeakPolarHBondContact CE1-O 3.32Å; Y47-N62 PolarHBondContact OH-O 2.81Å; Y47-V63 HydrophobicContact CD1-CG2 3.67Å; Y47-V63 HydrophobicContact CD2-CG2 4.26Å; Y47-V63 HydrophobicContact CE1-CB 4.38Å; Y47-V63 HydrophobicContact CE1-CG2 3.84Å; Y47-V63 HydrophobicContact CE2-CG1 4.3Å; Y47-V63 HydrophobicContact CE2-CG2 4.45Å; Y47-V63 HydrophobicContact CG-CG2 3.86Å; Y47-D67 HydrophobicContact CE2-CB 3.72Å; Y47-D67 WeakPolarHBondContact CE2-OD1 3.32Å; Y47-D67 PolarHBondContact OH-OD1 3.17Å; Y47-D67 PolarHBondContact OH-OD2 2.92Å; Y47-V69 HydrophobicContact CD2-CG2 4.22Å
48	R	72.8	Confident	78.8	Confident	187 Å²	187	54.3 Å²	54.3	71%	0.706	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	43.5	39.8	-171.9	-60.8	-175.9	-173.7	-169.8	5.9	113.1	K50 D67	R48-K50 VanDerWaalsContact C-N 3.32Å; R48-K50 PolarHBondContact O-N 3.07Å; R48-D67 IonicContact NH2-OD1 3.35Å; R48-D67 IonicContact NH2-OD2 3.63Å
49	G	49.9	Very low	78	Confident	67 Å²	67	58.4 Å²	58.4	69%	0.691	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.8	-6.7	-179.6	0	0	0	0	0	116.6	Y47	Y47-G49 PolarHBondContact O-N 2.9Å
50	K	50.9	Low	77.5	Confident	104 Å²	104	61 Å²	61	45%	0.452	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	138.3	171.6	-61.4	179.4	-179.5	177.6	0	109.9	F46 Y47 R48 Y61	F46-K50 CarbonylContact C-O 3.54Å; F46-K50 WeakPolarHBondContact CA-O 3.36Å; Y47-K50 PolarHBondContact N-O 2.76Å; Y47-K50 WeakPolarHBondContact O-CB 3.17Å; Y47-K50 PolarHBondContact O-N 3.07Å; R48-K50 VanDerWaalsContact C-N 3.32Å; R48-K50 PolarHBondContact O-N 3.07Å; K50-Y61 HydrophobicContact CB-CD1 4.3Å; K50-Y61 HydrophobicContact CB-CE1 4.3Å; K50-Y61 HydrophobicContact CD-CD1 4.27Å
51	Q	81.6	Confident	76.6	Confident	58 Å²	58	61 Å²	61	27%	0.271	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	140.7	166.4	-164.9	-177.3	-102.2	0	0	109.2	F46 E53 Y61	F46-Q51 HydrophobicContact CD1-CB 3.84Å; F46-Q51 HydrophobicContact CD1-CG 4.21Å; F46-Q51 HydrophobicContact CE1-CB 3.61Å; F46-Q51 HydrophobicContact CE1-CG 3.81Å; F46-Q51 HydrophobicContact CZ-CB 4.34Å; F46-Q51 HydrophobicContact CZ-CG 4.03Å; Q51-E53 PolarHBondContact NE2-OE1 3.12Å; Q51-Y61 VanDerWaalsContact O-CE1 3.3Å; Q51-Y61 WeakPolarHBondContact O-CE1 3.31Å; Q51-Y61 PolarHBondContact O-OH 3.16Å
52	M	87.5	Confident	76.6	Confident	0 Å²	0	58.5 Å²	58.5	0%	0	30%	0.299	C	S	.	.	P	Polyproline II helix	trans	-97.4	129.4	179.4	-47.9	174.6	87.3	0	0	109.9	I25 R29 L45 L58 Y61 V63 V69	I25-M52 HydrophobicContact CD1-CB 4.22Å; I25-M52 HydrophobicContact CD1-CE 3.76Å; I25-M52 HydrophobicContact CG1-CB 4.1Å; I25-M52 HydrophobicContact CG2-CB 3.81Å; R29-M52 PolarHBondContact NH2-O 3.41Å; L45-M52 HydrophobicContact CB-CB 4.06Å; L45-M52 HydrophobicContact CB-CG 4.24Å; L45-M52 HydrophobicContact CB-SD 3.89Å; L45-M52 PolarHBondContact O-N 3.09Å; M52-L58 HydrophobicContact CE-CD2 3.71Å; M52-Y61 WeakPolarHBondContact CA-OH 3.16Å; M52-Y61 HydrophobicContact CB-CD2 4.45Å; M52-Y61 HydrophobicContact CB-CE2 4.12Å; M52-Y61 HydrophobicContact CE-CD2 4.08Å; M52-Y61 HydrophobicContact CE-CG 4.1Å; M52-Y61 HydrophobicContact CG-CD1 4.35Å; M52-Y61 HydrophobicContact CG-CD2 4.46Å; M52-Y61 HydrophobicContact CG-CE1 4.42Å; M52-Y61 HydrophobicContact CG-CG 4.39Å; M52-V63 HydrophobicContact CE-CG2 3.74Å; M52-V69 HydrophobicContact CE-CG2 4.29Å; M52-V69 HydrophobicContact SD-CG1 3.64Å; M52-V69 HydrophobicContact SD-CG2 4.04Å
53	E	83	Confident	76.4	Confident	104 Å²	104	56.4 Å²	56.4	49%	0.486	29%	0.289	S	S	.	.			trans	-121.5	150.4	-168.5	-54.6	-165.4	153.6	0	0	111.4	I25 Q51 Y61	I25-E53 VanDerWaalsContact CB-O 3.31Å; I25-E53 WeakPolarHBondContact CB-O 3.49Å; I25-E53 WeakPolarHBondContact CG1-O 3.47Å; Q51-E53 PolarHBondContact NE2-OE1 3.12Å; E53-Y61 PolarHBondContact N-OH 2.91Å
54	D	83.4	Confident	75.3	Confident	91 Å²	91	56.8 Å²	56.8	49%	0.487	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.9	158.5	-173.8	-60.5	-21.5	0	0	0	111	E26 R29 L56	E26-D54 HydrophobicContact CB-CB 4.15Å; E26-D54 PolarHBondContact N-OD1 2.82Å; R29-D54 VanDerWaalsContact CD-OD1 3.26Å; R29-D54 WeakPolarHBondContact CD-OD1 3.39Å; R29-D54 IonicContact CZ-OD1 3.74Å; R29-D54 IonicContact NE-OD1 2.68Å; R29-D54 PolarHBondContact NE-OD1 2.85Å; R29-D54 IonicContact NE-OD2 2.78Å; R29-D54 IonicContact NH2-OD1 2.72Å; D54-L56 PolarHBondContact O-N 3.06Å
55	G	73.7	Confident	74.4	Confident	43 Å²	43	57.3 Å²	57.3	44%	0.443	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.3	-34.2	-166.1	0	0	0	0	0	114.7	E26	E26-G55 WeakPolarHBondContact OE2-CA 3.47Å; E26-G55 PolarHBondContact OE2-N 3.47Å
56	L	75.6	Confident	73.8	Confident	70 Å²	70	60.9 Å²	60.9	37%	0.366	32%	0.322	S	S	.	.			trans	-83.9	168.3	176.9	-64.9	173.8	0	0	0	112.6	K24 I25 D54 D60 Y61	K24-L56 CarbonylContact C-O 3.53Å; K24-L56 WeakPolarHBondContact CA-O 3.41Å; I25-L56 WeakPolarHBondContact CG1-O 3.38Å; I25-L56 PolarHBondContact N-O 2.81Å; D54-L56 PolarHBondContact O-N 3.06Å; L56-D60 HydrophobicContact CB-CB 4.41Å; L56-D60 HydrophobicContact CD2-CB 4.32Å; L56-Y61 HydrophobicContact CB-CE2 3.89Å; L56-Y61 HydrophobicContact CD1-CE2 4.09Å; L56-Y61 WeakPolarHBondContact CD1-OH 3.37Å
57	T	84.7	Confident	74	Confident	18 Å²	18	60.9 Å²	60.9	11%	0.11	32%	0.324	C	S	.	.	B	Isolated β-bridge	trans	-118.7	166.7	-174.7	70.6	0	0	0	0	113.7	T23 K24 F59 D60 Y61	T23-T57 WeakPolarHBondContact O-CA 3.4Å; K24-T57 HydrophobicContact CG-CG2 4.04Å; T57-F59 PolarHBondContact O-N 3.12Å; T57-F59 WeakPolarHBondContact OG1-CB 3.46Å; T57-F59 PolarHBondContact OG1-N 2.71Å; T57-D60 WeakPolarHBondContact CA-OD2 3.07Å; T57-D60 WeakPolarHBondContact CB-OD2 3.35Å; T57-D60 PolarHBondContact N-OD2 2.77Å; T57-D60 PolarHBondContact O-N 2.83Å; T57-D60 PolarHBondContact OG1-N 3.35Å; T57-D60 PolarHBondContact OG1-OD2 3.25Å; T57-Y61 WeakPolarHBondContact O-CD2 3.5Å
58	L	75.9	Confident	74.2	Confident	0 Å²	0	63.8 Å²	63.8	0%	0	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-25.9	172.4	-67.1	-177.9	0	0	0	113.6	M1 L19 R21 T23 I25 L28 M52 N62 V63	M1-L58 HydrophobicContact CE-CD1 4.36Å; L19-L58 HydrophobicContact CB-CD1 4.17Å; L19-L58 HydrophobicContact CD1-CD1 4.13Å; R21-L58 CarbonylContact O-C 3.49Å; R21-L58 WeakPolarHBondContact O-CA 3.45Å; R21-L58 WeakPolarHBondContact O-CB 3.47Å; R21-L58 PolarHBondContact O-N 2.84Å; T23-L58 PolarHBondContact O-N 3.36Å; I25-L58 HydrophobicContact CD1-CD2 3.98Å; L28-L58 HydrophobicContact CD2-CD2 3.96Å; M52-L58 HydrophobicContact CE-CD2 3.71Å; L58-N62 PolarHBondContact O-N 3.06Å; L58-V63 HydrophobicContact CB-CB 4.18Å; L58-V63 HydrophobicContact CB-CG2 4.38Å; L58-V63 HydrophobicContact CD2-CB 4.13Å; L58-V63 HydrophobicContact CD2-CG1 4.45Å; L58-V63 HydrophobicContact CD2-CG2 3.82Å; L58-V63 PolarHBondContact O-N 2.84Å
59	F	69.9	Low	75	Confident	97 Å²	97	54.9 Å²	54.9	43%	0.425	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-47	173.2	-173.6	-93.8	0	0	0	111.3	R21 L22 T57 Y61 N62	R21-F59 HydrophobicContact CB-CB 4.12Å; R21-F59 HydrophobicContact CB-CD2 4.27Å; R21-F59 WeakPolarHBondContact O-CB 3.37Å; R21-F59 PolarHBondContact O-N 3.42Å; L22-F59 HydrophobicContact CD2-CB 4.45Å; T57-F59 PolarHBondContact O-N 3.12Å; T57-F59 WeakPolarHBondContact OG1-CB 3.46Å; T57-F59 PolarHBondContact OG1-N 2.71Å; F59-Y61 PolarHBondContact O-N 2.73Å; F59-Y61 VanDerWaalsContact O-N 3.1Å; F59-N62 PolarHBondContact O-N 2.87Å; F59-N62 PolarHBondContact O-OD1 2.91Å
60	D	74.9	Confident	76.5	Confident	83 Å²	83	55.8 Å²	55.8	44%	0.444	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-24.4	-179.3	-55.8	-60.7	0	0	0	112.9	L56 T57	L56-D60 HydrophobicContact CB-CB 4.41Å; L56-D60 HydrophobicContact CD2-CB 4.32Å; T57-D60 WeakPolarHBondContact CA-OD2 3.07Å; T57-D60 WeakPolarHBondContact CB-OD2 3.35Å; T57-D60 PolarHBondContact N-OD2 2.77Å; T57-D60 PolarHBondContact O-N 2.83Å; T57-D60 PolarHBondContact OG1-N 3.35Å; T57-D60 PolarHBondContact OG1-OD2 3.25Å
61	Y	68.7	Low	78.4	Confident	23 Å²	23	50.8 Å²	50.8	9%	0.09	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.9	-5.1	174.2	-69.1	-76.8	0	0	0	114.2	I25 Y47 K50 Q51 M52 E53 L56 T57 F59	I25-Y61 HydrophobicContact CD1-CD2 4Å; I25-Y61 HydrophobicContact CD1-CE2 4.13Å; I25-Y61 HydrophobicContact CG1-CD2 4.3Å; I25-Y61 HydrophobicContact CG1-CE2 3.9Å; Y47-Y61 VanDerWaalsContact CD1-O 3.31Å; Y47-Y61 WeakPolarHBondContact CD1-O 3.44Å; Y47-Y61 WeakPolarHBondContact CE1-O 3.5Å; K50-Y61 HydrophobicContact CB-CD1 4.3Å; K50-Y61 HydrophobicContact CB-CE1 4.3Å; K50-Y61 HydrophobicContact CD-CD1 4.27Å; Q51-Y61 VanDerWaalsContact O-CE1 3.3Å; Q51-Y61 WeakPolarHBondContact O-CE1 3.31Å; Q51-Y61 PolarHBondContact O-OH 3.16Å; M52-Y61 WeakPolarHBondContact CA-OH 3.16Å; M52-Y61 HydrophobicContact CB-CD2 4.45Å; M52-Y61 HydrophobicContact CB-CE2 4.12Å; M52-Y61 HydrophobicContact CE-CD2 4.08Å; M52-Y61 HydrophobicContact CE-CG 4.1Å; M52-Y61 HydrophobicContact CG-CD1 4.35Å; M52-Y61 HydrophobicContact CG-CD2 4.46Å; M52-Y61 HydrophobicContact CG-CE1 4.42Å; M52-Y61 HydrophobicContact CG-CG 4.39Å; E53-Y61 PolarHBondContact N-OH 2.91Å; L56-Y61 HydrophobicContact CB-CE2 3.89Å; L56-Y61 HydrophobicContact CD1-CE2 4.09Å; L56-Y61 WeakPolarHBondContact CD1-OH 3.37Å; T57-Y61 WeakPolarHBondContact O-CD2 3.5Å; F59-Y61 PolarHBondContact O-N 2.73Å; F59-Y61 VanDerWaalsContact O-N 3.1Å
62	N	81.6	Confident	78.5	Confident	101 Å²	101	50.6 Å²	50.6	54%	0.54	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.7	48	-171.7	-75.6	-26.8	0	0	0	113.5	Y47 L58 F59	Y47-N62 VanDerWaalsContact CE1-O 3.31Å; Y47-N62 WeakPolarHBondContact CE1-O 3.32Å; Y47-N62 PolarHBondContact OH-O 2.81Å; L58-N62 PolarHBondContact O-N 3.06Å; F59-N62 PolarHBondContact O-N 2.87Å; F59-N62 PolarHBondContact O-OD1 2.91Å
63	V	75	Confident	78.4	Confident	0 Å²	0	54.3 Å²	54.3	0%	0	29%	0.289	C	S	.	.			trans	-78.5	124.5	173.9	-168.7	0	0	0	0	109.9	M1 I3 R21 Y47 M52 L58 D67 V69	M1-V63 HydrophobicContact CE-CG1 4.41Å; I3-V63 HydrophobicContact CG2-CG1 3.79Å; R21-V63 PolarHBondContact NE-O 2.92Å; Y47-V63 HydrophobicContact CD1-CG2 3.67Å; Y47-V63 HydrophobicContact CD2-CG2 4.26Å; Y47-V63 HydrophobicContact CE1-CB 4.38Å; Y47-V63 HydrophobicContact CE1-CG2 3.84Å; Y47-V63 HydrophobicContact CE2-CG1 4.3Å; Y47-V63 HydrophobicContact CE2-CG2 4.45Å; Y47-V63 HydrophobicContact CG-CG2 3.86Å; M52-V63 HydrophobicContact CE-CG2 3.74Å; L58-V63 HydrophobicContact CB-CB 4.18Å; L58-V63 HydrophobicContact CB-CG2 4.38Å; L58-V63 HydrophobicContact CD2-CB 4.13Å; L58-V63 HydrophobicContact CD2-CG1 4.45Å; L58-V63 HydrophobicContact CD2-CG2 3.82Å; L58-V63 PolarHBondContact O-N 2.84Å; V63-D67 HydrophobicContact CG1-CB 3.92Å; V63-V69 HydrophobicContact CG1-CG2 4.37Å
64	G	63	Low	78.1	Confident	11 Å²	11	55.1 Å²	55.1	11%	0.113	29%	0.288	C	S	.	.			trans	-91.5	-175.9	175.1	0	0	0	0	0	113.6	M1 D67	M1-G64 WeakPolarHBondContact CE-O 3.27Å; G64-D67 WeakPolarHBondContact CA-OD2 3.26Å; G64-D67 PolarHBondContact N-OD2 2.72Å
65	L	66.3	Low	77	Confident	105 Å²	105	55.4 Å²	55.4	55%	0.55	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.2	141.3	171.5	-177.4	145.6	0	0	0	109.7	M1 W2 D67	M1-L65 HydrophobicContact CB-CB 4.49Å; M1-L65 HydrophobicContact CB-CD1 4.28Å; W2-L65 HydrophobicContact CZ2-CD2 4.26Å; W2-L65 WeakPolarHBondContact O-CA 3.28Å; L65-D67 PolarHBondContact O-N 3.17Å; L65-D67 VanDerWaalsContact O-N 3.09Å
66	N	74	Confident	75.8	Confident	74 Å²	74	60 Å²	60	40%	0.396	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.9	6.8	-174.6	-170.8	33.7	0	0	0	115.1	W2 Q4	W2-N66 HydrophobicContact CE3-CB 4.27Å; W2-N66 HydrophobicContact CH2-CB 3.49Å; W2-N66 VanDerWaalsContact CH2-CB 3.49Å; W2-N66 WeakPolarHBondContact CH2-OD1 3.48Å; W2-N66 HydrophobicContact CZ2-CB 3.95Å; W2-N66 HydrophobicContact CZ3-CB 3.66Å; W2-N66 WeakPolarHBondContact CZ3-OD1 3.4Å; W2-N66 PolarHBondContact O-N 2.77Å; Q4-N66 PolarHBondContact NE2-OD1 3.13Å
67	D	79.9	Confident	74.2	Confident	39 Å²	39	62.1 Å²	62.1	21%	0.209	32%	0.322	C	S	.	.			trans	-65.4	149.4	174.7	-103.8	-54.5	0	0	0	111.6	Q4 Y47 R48 V63 G64 L65	Q4-D67 PolarHBondContact N-O 2.89Å; Y47-D67 HydrophobicContact CE2-CB 3.72Å; Y47-D67 WeakPolarHBondContact CE2-OD1 3.32Å; Y47-D67 PolarHBondContact OH-OD1 3.17Å; Y47-D67 PolarHBondContact OH-OD2 2.92Å; R48-D67 IonicContact NH2-OD1 3.35Å; R48-D67 IonicContact NH2-OD2 3.63Å; V63-D67 HydrophobicContact CG1-CB 3.92Å; G64-D67 WeakPolarHBondContact CA-OD2 3.26Å; G64-D67 PolarHBondContact N-OD2 2.72Å; L65-D67 PolarHBondContact O-N 3.17Å; L65-D67 VanDerWaalsContact O-N 3.09Å
68	I	86.1	Confident	71.8	Confident	64 Å²	64	67.9 Å²	67.9	33%	0.328	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	111.4	-176.2	-52.4	174.1	0	0	0	110.5	Q4 R6	Q4-I68 HydrophobicContact CB-CG1 4.15Å; Q4-I68 CarbonylContact O-C 3.49Å; Q4-I68 WeakPolarHBondContact O-CA 3.36Å; R6-I68 HydrophobicContact CB-CG2 3.76Å
69	V	89.5	Confident	69.9	Low	0 Å²	0	72.9 Å²	72.9	0%	0	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	129	167.5	173.1	0	0	0	0	109.4	I3 Q4 V5 R6 L45 F46 Y47 M52 V63	I3-V69 HydrophobicContact CD1-CB 4.3Å; I3-V69 HydrophobicContact CD1-CG2 3.83Å; Q4-V69 PolarHBondContact O-N 3.41Å; V5-V69 CarbonylContact C-O 3.55Å; V5-V69 WeakPolarHBondContact CA-O 3.46Å; V5-V69 HydrophobicContact CG2-CB 4.34Å; R6-V69 PolarHBondContact N-O 3.47Å; L45-V69 HydrophobicContact CB-CG1 4.01Å; L45-V69 HydrophobicContact CD2-CG1 4.43Å; F46-V69 CarbonylContact O-C 3.58Å; F46-V69 WeakPolarHBondContact O-CA 3.41Å; Y47-V69 HydrophobicContact CD2-CG2 4.22Å; M52-V69 HydrophobicContact CE-CG2 4.29Å; M52-V69 HydrophobicContact SD-CG1 3.64Å; M52-V69 HydrophobicContact SD-CG2 4.04Å; V63-V69 HydrophobicContact CG1-CG2 4.37Å
70	Q	81.8	Confident	68.3	Low	86 Å²	86	74.6 Å²	74.6	40%	0.402	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	125	179.9	-66.7	176.4	-15.7	0	0	111.1	R6 L45 F46	R6-Q70 CarbonylContact O-C 3.51Å; R6-Q70 VanDerWaalsContact O-CA 3.29Å; R6-Q70 WeakPolarHBondContact O-CA 3.46Å; L45-Q70 CarbonylContact C-O 3.56Å; L45-Q70 WeakPolarHBondContact CA-O 3.41Å; F46-Q70 HydrophobicContact CB-CB 4.25Å; F46-Q70 PolarHBondContact N-O 2.95Å; F46-Q70 PolarHBondContact O-N 2.98Å
71	L	90.2	Very high	66.4	Low	0 Å²	0	78.1 Å²	78.1	0%	0	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	110.9	175.2	170.8	60.9	0	0	0	110.5	V5 R6 T7 I8 I32 F36 Q43 L45 I73	V5-L71 HydrophobicContact CG1-CB 3.82Å; V5-L71 HydrophobicContact CG1-CD2 4.33Å; R6-L71 PolarHBondContact O-N 2.78Å; T7-L71 CarbonylContact C-O 3.22Å; T7-L71 WeakPolarHBondContact CA-O 3.43Å; I8-L71 PolarHBondContact N-O 2.81Å; I32-L71 HydrophobicContact CG2-CD1 4.37Å; I32-L71 HydrophobicContact CG2-CD2 3.82Å; F36-L71 HydrophobicContact CB-CD2 4.09Å; F36-L71 HydrophobicContact CD1-CD2 3.95Å; F36-L71 HydrophobicContact CD2-CD2 4.14Å; F36-L71 HydrophobicContact CE1-CD2 4.44Å; F36-L71 HydrophobicContact CG-CD2 3.78Å; Q43-L71 HydrophobicContact CB-CD1 3.78Å; Q43-L71 HydrophobicContact CG-CD1 3.83Å; L45-L71 HydrophobicContact CD2-CB 4.31Å; L45-L71 HydrophobicContact CD2-CD1 3.79Å; L71-I73 HydrophobicContact CD1-CG1 4.37Å; L71-I73 HydrophobicContact CD2-CD1 4.5Å; L71-I73 HydrophobicContact CD2-CG1 4.19Å; L71-I73 HydrophobicContact CG-CG1 3.99Å
72	L	83.4	Confident	64.5	Low	54 Å²	54	82 Å²	82	28%	0.283	46%	0.455	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	122.5	161.8	167.9	64.4	0	0	0	108.8	I8 R44 F46	I8-L72 HydrophobicContact CB-CB 4.41Å; I8-L72 HydrophobicContact CD1-CB 4.22Å; I8-L72 HydrophobicContact CG2-CB 4.05Å; I8-L72 HydrophobicContact CG2-CD1 3.82Å; R44-L72 HydrophobicContact CB-CB 4.14Å; R44-L72 HydrophobicContact CB-CD2 4.32Å; R44-L72 HydrophobicContact CB-CG 4.46Å; R44-L72 PolarHBondContact N-O 3.5Å; R44-L72 PolarHBondContact O-N 2.81Å; F46-L72 HydrophobicContact CD2-CB 4.46Å; F46-L72 HydrophobicContact CE2-CB 3.93Å; F46-L72 HydrophobicContact CE2-CD2 4.08Å; F46-L72 HydrophobicContact CZ-CD2 4.48Å
73	I	86.6	Confident	62.5	Low	77 Å²	77	83 Å²	83	40%	0.395	47%	0.468	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	125.3	174.3	-56	172.1	0	0	0	108.4	T7 V38 L71	T7-I73 HydrophobicContact CG2-CD1 4.42Å; V38-I73 HydrophobicContact CG1-CG1 4.33Å; V38-I73 HydrophobicContact CG1-CG2 3.91Å; V38-I73 HydrophobicContact CG2-CD1 3.7Å; V38-I73 HydrophobicContact CG2-CG1 3.97Å; V38-I73 HydrophobicContact CG2-CG2 4.22Å; L71-I73 HydrophobicContact CD1-CG1 4.37Å; L71-I73 HydrophobicContact CD2-CD1 4.5Å; L71-I73 HydrophobicContact CD2-CG1 4.19Å; L71-I73 HydrophobicContact CG-CG1 3.99Å
74	R	75.4	Confident	60.3	Low	121 Å²	121	87.5 Å²	87.5	46%	0.457	50%	0.504	S	S	.	.	P	Polyproline II helix	trans	-90.2	128.9	173.3	-58.1	-178.6	75.4	-166	0.6	110.2	Q42	Q42-R74 WeakPolarHBondContact CG-O 3.49Å; Q42-R74 PolarHBondContact NE2-O 2.83Å; Q42-R74 WeakPolarHBondContact O-CB 3.39Å; Q42-R74 WeakPolarHBondContact O-CG 3.36Å; Q42-R74 PolarHBondContact O-N 3.48Å
75	S	61.1	Low	58.6	Low	97 Å²	97	94.1 Å²	94.1	68%	0.678	54%	0.543	S	S	*	.	P	Polyproline II helix	trans	-56.8	136.2	158.5	50.9	0	0	0	0	109.2	T77	S75-T77 PolarHBondContact O-N 2.84Å
76	Q	48.6	Very low	56.8	Low	141 Å²	141	98.2 Å²	98.2	66%	0.659	56%	0.556	S	S	*	*	P	Polyproline II helix	trans	-64	128.3	165.1	-68.4	-178.8	3	0	0	108.2	Q42	Q42-Q76 HydrophobicContact CG-CG 4.1Å
77	T	41.9	Very low	54.6	Low	113 Å²	113	102.8 Å²	102.8	69%	0.693	58%	0.581	S	S	*	*			trans	-115	124.4	160.7	51.8	0	0	0	0	105.2	S75	S75-T77 PolarHBondContact O-N 2.84Å
78	D	33.1	Very low	52.2	Low	140 Å²	140	105.6 Å²	105.6	75%	0.749	61%	0.609	S	S	*	*			trans	-56.5	151.4	-176.2	-58.2	-71.2	0	0	0	112.1
79	P	35.9	Very low	49.5	Very low	105 Å²	105	108.6 Å²	108.6	68%	0.682	64%	0.636	S	S	*	*			trans	-61.4	147.9	-177.6	25.4	-34.6	0	0	0	111.9	D81	P79-D81 PolarHBondContact O-N 3.39Å
80	P	37	Very low	46.6	Very low	133 Å²	133	112 Å²	112	86%	0.864	67%	0.671	S	S	*	*			trans	-72.1	102.5	178.1	29.7	-33.6	0	0	0	110.2
81	D	35.3	Very low	44.1	Very low	156 Å²	156	114.8 Å²	114.8	83%	0.834	69%	0.693	S	S	*	*	P	Polyproline II helix	trans	-76.9	159.2	-173.2	-135.2	-27.3	0	0	0	113.9	P79	P79-D81 PolarHBondContact O-N 3.39Å
82	S	29.3	Very low	41.1	Very low	105 Å²	105	118.8 Å²	118.8	73%	0.734	73%	0.726	S	S	*	*	P	Polyproline II helix	trans	-81	167.3	180	-74.3	0	0	0	0	112.5
83	P	38.8	Very low	38.4	Very low	123 Å²	123	121.7 Å²	121.7	80%	0.799	75%	0.752	S	S	*	*	P	Polyproline II helix	trans	-85.4	134.9	-143.3	30.3	-36	0	0	0	117.1
84	A	29.8	Very low	35.6	Very low	93 Å²	93	123.4 Å²	123.4	77%	0.769	77%	0.77	S	S	*	*			trans	64.8	120.3	138.9	0	0	0	0	0	120.9
85	T	26.5	Very low	33.2	Very low	150 Å²	150	123.3 Å²	123.3	92%	0.92	79%	0.788	S	S	*	*				-138.8	168	129.2	19.5	0	0	0	0	109.5
86	K	28.9	Very low	31.6	Very low	192 Å²	192	123.1 Å²	123.1	84%	0.835	79%	0.792	S	S	*	*			trans	-98	154.1	-174.8	-58.6	166.8	-176.7	166.5	0	110.8
87	D	26.6	Very low	31.1	Very low	169 Å²	169	122.3 Å²	122.3	90%	0.904	80%	0.8	S	S	*	*				-172.6	170.5	114.5	-96.5	-17.7	0	0	0	112.5
88	A	30.8	Very low	30.3	Very low	98 Å²	98	124.8 Å²	124.8	81%	0.81	81%	0.808	S	S	*	*			trans	-150.3	127.2	-168.6	0	0	0	0	0	116.2
89	S	29.5	Very low	31.7	Very low	127 Å²	127	123.1 Å²	123.1	89%	0.888	80%	0.804	S	S	*	*			trans	-173.9	144.1	154.4	38.7	0	0	0	0	106.1
90	G	28.3	Very low	31.2	Very low	71 Å²	71	125.3 Å²	125.3	73%	0.732	81%	0.81	S	S	*	*			cis	113.1	142.7	48.2	0	0	0	0	0	107.7
91	V	30.1	Very low	30.7	Very low	145 Å²	145	124.5 Å²	124.5	88%	0.879	81%	0.808	S	S	*	*			cis	-160.3	160.3	7.7	177.3	0	0	0	0	109.6
92	A	26.6	Very low	30.3	Very low	84 Å²	84	126.5 Å²	126.5	69%	0.694	81%	0.809	S	S	*	*			trans	73.4	139.4	166.7	0	0	0	0	0	118.4
93	S	25.8	Very low	31.2	Very low	116 Å²	116	126.7 Å²	126.7	81%	0.811	81%	0.808	S	S	*	*			cis	89.1	134.6	29.8	-58.9	0	0	0	0	113.6
94	S	27.6	Very low	30.8	Very low	113 Å²	113	128.6 Å²	128.6	79%	0.79	81%	0.806	S	S	*	*			cis	-134.8	-151.8	7.1	-68.5	0	0	0	0	110.1
95	S	25.9	Very low	30.9	Very low	119 Å²	119	129.9 Å²	129.9	83%	0.832	80%	0.8	S	S	*	*			cis	-160.5	173.6	13.2	-75.4	0	0	0	0	112
96	A	28.3	Very low	31	Very low	92 Å²	92	129 Å²	129	76%	0.76	79%	0.789	S	S	*	*			trans	-138.8	172.6	160.1	0	0	0	0	0	109.1
97	P	36.1	Very low	30.8	Very low	125 Å²	125	130.8 Å²	130.8	81%	0.812	79%	0.79	S	S	*	*				-159.4	-164.6	79.9	43.4	-20.8	0	0	0	117.5
98	L	26.7	Very low	30.8	Very low	165 Å²	165	127 Å²	127	86%	0.864	78%	0.782	S	S	*	*			trans	-137	-172.9	170.3	-76.2	168.3	0	0	0	107.8
99	P	62	Low	31.8	Very low	104 Å²	104	128.1 Å²	128.1	68%	0.675	78%	0.781	S	S	*	*			cis	-135.3	-155	-13	32.5	-7.6	0	0	0	114.1
100	D	26.2	Very low	31.6	Very low	152 Å²	152	128.6 Å²	128.6	81%	0.813	78%	0.779	S	S	*	*			trans	79.8	149.1	155.3	-76.2	-36	0	0	0	120.5
101	S	26.6	Very low	31.6	Very low	115 Å²	115	130.1 Å²	130.1	80%	0.804	78%	0.778	S	S	*	*			cis	-152.4	-173.3	5.2	46	0	0	0	0	114.6
102	K	26.6	Very low	31.4	Very low	198 Å²	198	129.4 Å²	129.4	86%	0.861	78%	0.78	S	S	*	*			trans	-93.4	-166.9	-174.5	-51.7	-179.2	178.1	177.9	0	113.9
103	P	47.8	Very low	31.4	Very low	109 Å²	109	129.7 Å²	129.7	71%	0.708	78%	0.782	S	S	*	*			cis	-133.4	-150.2	-3.4	42.3	-19	0	0	0	112.8
104	E	30.5	Very low	31.4	Very low	164 Å²	164	133 Å²	133	77%	0.766	79%	0.785	S	S	*	*			cis	-168.8	-171.5	-5.6	-135.2	166.1	-111.5	0	0	108.7
105	N	30.8	Very low	31.5	Very low	119 Å²	119	133.2 Å²	133.2	64%	0.636	78%	0.781	S	S	*	*			cis	-161.6	-176	-7.4	-156.2	-41.7	0	0	0	109.2
106	L	28.4	Very low	31.5	Very low	133 Å²	133	135.3 Å²	135.3	70%	0.696	78%	0.778	S	S	*	*			trans	75.4	140.2	167.8	-45.8	-176.4	0	0	0	117.9
107	R	26.5	Very low	31.3	Very low	229 Å²	229	137.2 Å²	137.2	86%	0.864	78%	0.78	S	S	*	*			cis	-157.3	166.8	-8.2	-119.9	175.1	-172.4	-172.2	3.1	111.4
108	A	24.7	Very low	30.8	Very low	89 Å²	89	136 Å²	136	74%	0.736	78%	0.775	S	S	*	*			trans	-140.8	-157.8	174.6	0	0	0	0	0	108.5
109	P	52.9	Low	30.9	Very low	121 Å²	121	133.2 Å²	133.2	79%	0.786	77%	0.769	S	S	*	*			cis	-99.3	-141.2	-4.2	9.1	16.7	0	0	0	113.1
110	V	26	Very low	29.3	Very low	137 Å²	137	135 Å²	135	83%	0.83	77%	0.773	S	S	*	*			cis	-153.4	-164.1	15.4	-144.1	0	0	0	0	112.6
111	S	28.2	Very low	29.5	Very low	104 Å²	104	134.5 Å²	134.5	73%	0.727	78%	0.775	S	S	*	*			trans	-147.3	165.5	-174.4	58.1	0	0	0	0	113
112	S	25.3	Very low	29.6	Very low	130 Å²	130	135 Å²	135	91%	0.909	77%	0.769	S	S	*	*			trans	-173.4	-179.8	151.3	-82.1	0	0	0	0	112.2
113	A	25.9	Very low	29.6	Very low	90 Å²	90	132.3 Å²	132.3	74%	0.744	76%	0.764	S	S	*	*			trans	-146.6	177.5	-166.3	0	0	0	0	0	115.5
114	E	26.4	Very low	28.8	Very low	186 Å²	186	135.4 Å²	135.4	87%	0.869	77%	0.766	S	S	*	*			trans	88.2	149	147.9	-103.3	163.7	-146.6	0	0	123.4
115	V	28.6	Very low	28.7	Very low	117 Å²	117	133.2 Å²	133.2	71%	0.709	76%	0.76	S	S	*	*			trans	89.1	103.2	153.2	171.5	0	0	0	0	123.3
116	E	26.1	Very low	28.7	Very low	163 Å²	163	135.9 Å²	135.9	76%	0.762	77%	0.768	S	S	*	*				70.5	143.5	126.9	-62.6	-172	156.1	0	0	128.5
117	T	24.9	Very low	28.7	Very low	131 Å²	131	132.9 Å²	132.9	80%	0.804	77%	0.77	S	S	*	*			trans	69.8	151.1	148.2	46.5	0	0	0	0	121.1
118	S	25.9	Very low	28.7	Very low	101 Å²	101	129.1 Å²	129.1	71%	0.706	77%	0.767	S	S	*	*			cis	-167.8	-174.9	-9.2	48.9	0	0	0	0	111.6
119	S	28.3	Very low	28.9	Very low	105 Å²	105	134.8 Å²	134.8	73%	0.734	77%	0.769	S	S	*	*			trans	81.7	117.6	-178.6	65.1	0	0	0	0	115.9
120	D	27.9	Very low	27.7	Very low	143 Å²	143	133 Å²	133	77%	0.765	77%	0.765	S	S	*	*			cis	90.8	118.9	39.7	-59.9	-38.5	0	0	0	112.7
121	T	30	Very low	27.7	Very low	141 Å²	141	132.4 Å²	132.4	87%	0.865	76%	0.761	S	S	*	*				-164.7	170.9	76.4	14.5	0	0	0	0	115
122	D	28.7	Very low	27.7	Very low	124 Å²	124	133 Å²	133	66%	0.663	76%	0.761	S	S	*	*			trans	-88.7	158.7	-162.4	-55.5	-102.5	0	0	0	120.2
123	N	27.8	Very low	27.8	Very low	142 Å²	142	133.2 Å²	133.2	76%	0.759	75%	0.751	S	S	*	*				153.6	136.9	120.4	-80.8	-66.3	0	0	0	110.3
124	K	31.1	Very low	27.8	Very low	174 Å²	174	137 Å²	137	76%	0.757	75%	0.753	S	S	*	*			cis	67.3	139.4	47.9	-65.1	-173.4	177.6	176.1	0	113.1
125	N	28.8	Very low	27.8	Very low	119 Å²	119	134.2 Å²	134.2	64%	0.636	75%	0.75	S	S	*	*			cis	-154.2	176.8	20.9	-151.8	29.2	0	0	0	114.8
126	E	30.7	Very low	27.6	Very low	174 Å²	174	136.5 Å²	136.5	81%	0.813	75%	0.75	S	S	*	*			trans	-11.1	163.3	161.7	-66.9	157.8	163.5	0	0	121.7
127	G	27.6	Very low	28.4	Very low	70 Å²	70	133.4 Å²	133.4	72%	0.722	74%	0.744	S	S	*	*			cis	162.3	179.7	0.2	0	0	0	0	0	114
128	D	27.6	Very low	28.5	Very low	151 Å²	151	133.4 Å²	133.4	81%	0.807	74%	0.735	S	S	*	*			trans	61	161.9	166.6	-93.5	12.7	0	0	0	120.4
129	R	27.5	Very low	28.5	Very low	208 Å²	208	134.5 Å²	134.5	79%	0.785	74%	0.737	S	S	*	*			cis	-178.8	133.2	-28.5	166.4	173.9	177.3	173.7	-0.4	113.6
130	A	28.1	Very low	28.5	Very low	84 Å²	84	135.7 Å²	135.7	69%	0.694	74%	0.74	S	S	*	*			trans	62	172.3	162.3	0	0	0	0	0	117.3
131	T	26.7	Very low	28.4	Very low	123 Å²	123	133.3 Å²	133.3	76%	0.755	74%	0.74	S	S	*	*			cis	-159.4	133.7	-0.9	-7.3	0	0	0	0	112
132	V	28	Very low	28.1	Very low	118 Å²	118	131.1 Å²	131.1	72%	0.715	74%	0.736	S	S	*	*				60.9	146.4	128.2	173.3	0	0	0	0	123.5
133	N	26.3	Very low	28	Very low	134 Å²	134	130.5 Å²	130.5	72%	0.717	74%	0.742	S	S	*	*			trans	74.8	132.5	173.6	-68.4	-3.4	0	0	0	117
134	E	26.8	Very low	27.9	Very low	168 Å²	168	129.3 Å²	129.3	79%	0.785	74%	0.74	S	S	*	*				70.2	135.3	57.2	-65	-162.4	158.8	0	0	113.4
135	T	25.8	Very low	27.8	Very low	129 Å²	129	129.4 Å²	129.4	79%	0.791	74%	0.74	S	S	*	*			cis	-148.3	178.9	15.8	-21	0	0	0	0	113.7
136	K	25.8	Very low	27.6	Very low	165 Å²	165	130.8 Å²	130.8	72%	0.717	75%	0.748	S	S	*	*			trans	-49.9	175.1	165	-128.8	-162.8	162.8	-157.7	0	113.6	E138	K136-E138 WeakPolarHBondContact CE-OE1 3.16Å; K136-E138 IonicContact NZ-OE1 3.61Å; K136-E138 PolarHBondContact NZ-OE1 3.1Å
137	P	42.4	Very low	27.4	Very low	97 Å²	97	125.7 Å²	125.7	63%	0.63	74%	0.742	S	S	*	*			cis	-150.7	176.1	7.3	45.9	-25.2	0	0	0	121.7
138	E	26.6	Very low	27.2	Very low	131 Å²	131	131.8 Å²	131.8	61%	0.612	75%	0.749	S	S	*	*			trans	65.8	122.2	135.3	-79.8	151	-129.2	0	0	126.5	K136	K136-E138 WeakPolarHBondContact CE-OE1 3.16Å; K136-E138 IonicContact NZ-OE1 3.61Å; K136-E138 PolarHBondContact NZ-OE1 3.1Å
139	T	27.1	Very low	27.1	Very low	124 Å²	124	135.1 Å²	135.1	76%	0.761	75%	0.75	S	S	*	*			trans	53.1	153.6	133.8	67.3	0	0	0	0	121
140	V	27	Very low	26.9	Very low	130 Å²	130	130.2 Å²	130.2	79%	0.788	75%	0.748	S	S	*	*			cis	-152.9	143.3	36.2	-88.1	0	0	0	0	109.5
141	A	25.7	Very low	26.7	Very low	94 Å²	94	131.9 Å²	131.9	78%	0.777	75%	0.754	S	S	*	*				95.2	155.1	70.4	0	0	0	0	0	116.1
142	A	25.2	Very low	26.6	Very low	94 Å²	94	131.7 Å²	131.7	78%	0.777	76%	0.758	S	S	*	*			trans	69.5	126.9	-175.1	0	0	0	0	0	116.4
143	S	25.3	Very low	27.2	Very low	111 Å²	111	132 Å²	132	78%	0.776	76%	0.762	S	S	*	*				73.5	138	60.3	-65.4	0	0	0	0	114.1
144	T	25.9	Very low	27.2	Very low	118 Å²	118	129.1 Å²	129.1	72%	0.724	76%	0.757	S	S	*	*			cis	-164.9	146.2	34.6	-25.8	0	0	0	0	115.4
145	K	28.4	Very low	27.2	Very low	175 Å²	175	129.9 Å²	129.9	76%	0.761	76%	0.761	S	S	*	*			trans	52.7	124.8	145.8	-81	170.3	-174.8	176.2	0	125.5
146	N	26	Very low	27.2	Very low	149 Å²	149	130 Å²	130	80%	0.797	76%	0.757	S	S	*	*				76.4	127	128.5	-63.4	8.1	0	0	0	123.6
147	G	25	Very low	27.3	Very low	67 Å²	67	128.1 Å²	128.1	69%	0.691	76%	0.759	S	S	*	*			trans	179.5	159.8	165.2	0	0	0	0	0	113.2
148	F	25	Very low	26.6	Very low	197 Å²	197	132.4 Å²	132.4	86%	0.864	77%	0.77	S	S	*	*			trans	-146.9	169	-170.4	-69.7	-78.6	0	0	0	111.3
149	R	24.7	Very low	26.8	Very low	221 Å²	221	131.7 Å²	131.7	83%	0.834	78%	0.777	S	S	*	*			cis	-156.3	160.8	11.7	-147.7	-174.6	-177.4	170.1	1.1	111.9
150	S	23.1	Very low	27.2	Very low	105 Å²	105	132 Å²	132	73%	0.734	78%	0.781	S	S	*	*			trans	37.3	116.6	152.8	-65.5	0	0	0	0	122
151	S	24.1	Very low	27.6	Very low	120 Å²	120	132.2 Å²	132.2	84%	0.839	78%	0.783	S	S	*	*				-170.3	154.3	112.3	60.3	0	0	0	0	112.7
152	S	24.9	Very low	28.6	Very low	118 Å²	118	131.5 Å²	131.5	83%	0.825	77%	0.773	S	S	*	*			trans	-146.5	168.5	178	-52.2	0	0	0	0	107.1
153	P	39.4	Very low	29.9	Very low	125 Å²	125	132.1 Å²	132.1	81%	0.812	77%	0.771	S	S	*	*			cis	-132	-161.5	17.7	47.3	-29.5	0	0	0	112.3
154	A	26.3	Very low	31.5	Very low	73 Å²	73	133.2 Å²	133.2	60%	0.603	76%	0.758	S	S	*	*			cis	-153.3	150.6	2.3	0	0	0	0	0	111.4
155	Q	28.6	Very low	33.5	Very low	185 Å²	185	129.5 Å²	129.5	86%	0.864	74%	0.737	S	S	*	*			trans	58.9	147.1	155.2	-73.3	163.2	-40.7	0	0	118.3
156	D	25	Very low	36.2	Very low	132 Å²	132	125.2 Å²	125.2	71%	0.706	73%	0.726	S	S	*	*			cis	-140.3	158.2	32.1	-147.2	-27.5	0	0	0	115.5
157	T	28.1	Very low	39.2	Very low	124 Å²	124	120.7 Å²	120.7	76%	0.761	70%	0.701	S	S	*	*			trans	18.4	115.3	163.2	31.5	0	0	0	0	123
158	Q	27.9	Very low	42.3	Very low	187 Å²	187	121 Å²	121	87%	0.874	69%	0.689	S	S	*	*			trans	-129.2	156.5	140.6	-90.5	-165.9	-10.9	0	0	109.6
159	P	30.2	Very low	45.4	Very low	116 Å²	116	117 Å²	117	75%	0.753	68%	0.677	S	S	*	*	P	Polyproline II helix	trans	-74.6	144.8	-176.3	30.2	-35.4	0	0	0	113.1
160	P	35.4	Very low	48.2	Very low	130 Å²	130	108.5 Å²	108.5	84%	0.844	65%	0.65	S	S	*	*	P	Polyproline II helix	trans	-83.2	142.9	-175.6	32.9	-35.4	0	0	0	113.8
161	T	36.1	Very low	51	Low	135 Å²	135	106.5 Å²	106.5	83%	0.828	65%	0.647	S	S	*	*	P	Polyproline II helix	trans	-96.2	143.8	177.5	48.9	0	0	0	0	113.6
162	S	46.4	Very low	53.9	Low	80 Å²	80	103.4 Å²	103.4	56%	0.559	62%	0.62	S	S	*	*			trans	54.5	81.4	165.8	-163.5	0	0	0	0	117.9	R164 S165	S162-R164 VanDerWaalsContact C-N 3.29Å; S162-S165 PolarHBondContact OG-OG 3.14Å
163	S	52.7	Low	56.7	Low	106 Å²	106	99.4 Å²	99.4	74%	0.741	60%	0.598	S	S	*	*	S	Bend	trans	-76.6	-11.5	159.5	50.7	0	0	0	0	114	N178	S163-N178 PolarHBondContact O-ND2 2.93Å
164	R	57.9	Low	59	Low	135 Å²	135	97 Å²	97	51%	0.509	58%	0.578	S	S	.	*	T	Hydrogen-bonded Turn	trans	-91.7	2.2	-163.4	-140.2	-179.7	-161.4	146.5	13.5	116	S162 E197 S384	S162-R164 VanDerWaalsContact C-N 3.29Å; R164-E197 IonicContact CZ-OE2 2.82Å; R164-E197 IonicContact NE-OE2 2.81Å; R164-E197 VanDerWaalsContact NH2-CD 3.33Å; R164-E197 IonicContact NH2-OE1 3.36Å; R164-E197 PolarHBondContact NH2-OE1 2.69Å; R164-E197 IonicContact NH2-OE2 3.06Å; R164-E197 PolarHBondContact NH2-OE2 3.47Å; R164-S384 PolarHBondContact O-OG 3.02Å
165	S	67.6	Low	62.2	Low	40 Å²	40	93.9 Å²	93.9	28%	0.28	55%	0.55	S	S	.	*	T	Hydrogen-bonded Turn	trans	-108.5	-5.8	180	50.6	0	0	0	0	113.5	S162	S162-S165 PolarHBondContact OG-OG 3.14Å
166	T	85.7	Confident	65.3	Low	85 Å²	85	88.5 Å²	88.5	52%	0.521	52%	0.524	S	S	.	.	S	Bend	trans	-98.7	118	-175.1	-56.8	0	0	0	0	110.2	V168 N178	T166-V168 PolarHBondContact O-N 3.22Å; T166-N178 PolarHBondContact O-ND2 2.64Å
167	L	88.9	Confident	68.5	Low	54 Å²	54	83.6 Å²	83.6	28%	0.283	50%	0.498	S	S	.	.			trans	-66.3	113.8	174.1	-65.9	172.7	0	0	0	110.6	K176 I177 N178 E179 P381	L167-K176 HydrophobicContact CB-CD 4.2Å; L167-K176 HydrophobicContact CD2-CB 4.47Å; L167-I177 WeakPolarHBondContact CA-O 3.38Å; L167-N178 WeakPolarHBondContact CD2-O 3.33Å; L167-E179 HydrophobicContact CD2-CB 3.94Å; L167-E179 HydrophobicContact CD2-CG 4.45Å; L167-P381 HydrophobicContact CD1-CB 3.74Å
168	V	91.3	Very high	71.5	Confident	72 Å²	72	78.5 Å²	78.5	44%	0.436	47%	0.466	S	S	.	.	B	Isolated β-bridge	trans	-101.9	125.2	176.8	177.6	0	0	0	0	108.9	T166 P170 K176 I177	T166-V168 PolarHBondContact O-N 3.22Å; V168-P170 VanDerWaalsContact O-CD 3.25Å; V168-P170 WeakPolarHBondContact O-CD 3.36Å; V168-K176 WeakPolarHBondContact O-CB 3.46Å; V168-I177 HydrophobicContact CB-CB 4.21Å; V168-I177 PolarHBondContact N-O 3Å; V168-I177 PolarHBondContact O-N 3.22Å
169	N	88.3	Confident	74.7	Confident	113 Å²	113	69.7 Å²	69.7	60%	0.604	43%	0.425	S	S	*	.			trans	-80.8	113.5	172.8	-176.5	1	0	0	0	109.3	G171	N169-G171 PolarHBondContact O-N 3.43Å; N169-G171 PolarHBondContact OD1-N 2.73Å
170	P	85	Confident	77.8	Confident	43 Å²	43	64.5 Å²	64.5	28%	0.279	39%	0.39	S	S	.	.			trans	-73.6	-9.3	178.2	32.3	-37.6	0	0	0	113.5	V168 I172 I177 V199	V168-P170 VanDerWaalsContact O-CD 3.25Å; V168-P170 WeakPolarHBondContact O-CD 3.36Å; P170-I172 HydrophobicContact CB-CG1 4.3Å; P170-I172 HydrophobicContact CG-CG1 4.49Å; P170-I172 WeakPolarHBondContact CG-O 3.42Å; P170-I172 PolarHBondContact O-N 3.1Å; P170-I177 HydrophobicContact CB-CD1 4.11Å; P170-I177 HydrophobicContact CB-CG1 4.44Å; P170-V199 HydrophobicContact CB-CB 4.28Å; P170-V199 HydrophobicContact CG-CB 3.92Å; P170-V199 HydrophobicContact CG-CG2 3.95Å
171	G	81.8	Confident	80.7	Confident	64 Å²	64	58.3 Å²	58.3	66%	0.66	35%	0.35	S	S	*	.	S	Bend	trans	80.9	-1.4	-177.5	0	0	0	0	0	114.8	N169	N169-G171 PolarHBondContact O-N 3.43Å; N169-G171 PolarHBondContact OD1-N 2.73Å
172	I	84.4	Confident	83.5	Confident	54 Å²	54	51.9 Å²	51.9	28%	0.277	31%	0.311	S	S	.	.	S	Bend	trans	-135.1	148.2	176.1	55.5	172	0	0	0	109.9	P170 V199 L201	P170-I172 HydrophobicContact CB-CG1 4.3Å; P170-I172 HydrophobicContact CG-CG1 4.49Å; P170-I172 WeakPolarHBondContact CG-O 3.42Å; P170-I172 PolarHBondContact O-N 3.1Å; I172-V199 HydrophobicContact CD1-CG1 4.41Å; I172-V199 HydrophobicContact CG1-CG1 4.16Å; I172-L201 HydrophobicContact CB-CD2 4.42Å; I172-L201 HydrophobicContact CD1-CD2 4.11Å; I172-L201 HydrophobicContact CD1-CG 3.89Å; I172-L201 HydrophobicContact CG2-CD2 4.23Å
173	G	84	Confident	85.7	Confident	35 Å²	35	48 Å²	48	36%	0.361	28%	0.284	S	S	.	.	S	Bend	trans	81.2	178.6	178.2	0	0	0	0	0	115.1	Y275	G173-Y275 VanDerWaalsContact CA-OH 3.31Å; G173-Y275 WeakPolarHBondContact CA-OH 3.36Å
174	L	88.1	Confident	87.5	Confident	75 Å²	75	44.8 Å²	44.8	39%	0.393	26%	0.256	S	S	.	.	S	Bend	trans	-96.2	-22.8	-173.3	-59.5	175.1	0	0	0	112.9	Y275 P377	L174-Y275 PolarHBondContact N-OH 2.88Å; L174-P377 HydrophobicContact CD1-CB 4.12Å
175	Y	93.1	Very high	88.7	Confident	6 Å²	6	40.8 Å²	40.8	2%	0.024	24%	0.244	C	C	.	.	S	Bend	trans	-117.1	145.6	-175.9	-48.3	-55.7	0	0	0	111	V181 Y275 V295 R296 P297	Y175-V181 HydrophobicContact CG-CG1 4.31Å; Y175-Y275 AromaticContact CD2-CD1 3.92Å; Y175-Y275 HydrophobicContact CD2-CD1 3.92Å; Y175-Y275 AromaticContact CD2-CE1 3.59Å; Y175-Y275 HydrophobicContact CD2-CE1 3.59Å; Y175-Y275 HydrophobicContact CD2-CE2 4.37Å; Y175-Y275 HydrophobicContact CD2-CG 4.43Å; Y175-Y275 AromaticContact CD2-CZ 3.84Å; Y175-Y275 HydrophobicContact CG-CE1 4.2Å; Y175-V295 HydrophobicContact CD2-CB 4.25Å; Y175-V295 HydrophobicContact CD2-CG1 3.61Å; Y175-V295 HydrophobicContact CE2-CB 3.83Å; Y175-V295 HydrophobicContact CE2-CG1 3.55Å; Y175-V295 WeakPolarHBondContact CE2-O 3.27Å; Y175-V295 HydrophobicContact CG-CG1 4.5Å; Y175-V295 PolarHBondContact OH-O 2.63Å; Y175-R296 WeakPolarHBondContact OH-CA 3.26Å; Y175-P297 HydrophobicContact CE1-CG 3.88Å
176	K	92.9	Very high	89.1	Confident	72 Å²	72	43.3 Å²	43.3	31%	0.313	26%	0.258	S	S	.	.			trans	-90.1	157.8	-177.4	-63.7	174.6	-173.1	174.3	0	111.6	L167 V168 E179 I196 P381	L167-K176 HydrophobicContact CB-CD 4.2Å; L167-K176 HydrophobicContact CD2-CB 4.47Å; V168-K176 WeakPolarHBondContact O-CB 3.46Å; K176-E179 HydrophobicContact CB-CB 4.24Å; K176-E179 WeakPolarHBondContact CB-OE2 2.93Å; K176-E179 PolarHBondContact N-OE2 3.2Å; K176-E179 WeakPolarHBondContact O-CB 3.18Å; K176-E179 PolarHBondContact O-N 3.35Å; K176-E179 VanDerWaalsContact O-N 3.12Å; K176-I196 WeakPolarHBondContact O-CB 3.41Å; K176-I196 WeakPolarHBondContact O-CG1 3.42Å; K176-I196 WeakPolarHBondContact O-CG2 3.43Å; K176-P381 HydrophobicContact CD-CB 4.31Å; K176-P381 HydrophobicContact CD-CG 4.17Å
177	I	92.3	Very high	87.9	Confident	30 Å²	30	41.2 Å²	41.2	15%	0.154	25%	0.246	C	C	.	.	B	Isolated β-bridge	trans	-68.2	140.2	169.1	-63.1	173.9	0	0	0	108.9	L167 V168 P170 E179 I196 E197 V199	L167-I177 WeakPolarHBondContact CA-O 3.38Å; V168-I177 HydrophobicContact CB-CB 4.21Å; V168-I177 PolarHBondContact N-O 3Å; V168-I177 PolarHBondContact O-N 3.22Å; P170-I177 HydrophobicContact CB-CD1 4.11Å; P170-I177 HydrophobicContact CB-CG1 4.44Å; I177-E179 VanDerWaalsContact C-N 3.27Å; I177-I196 HydrophobicContact CG1-CG2 4.4Å; I177-E197 WeakPolarHBondContact CG2-O 3.3Å; I177-V199 HydrophobicContact CG1-CG2 4.29Å
178	N	92.6	Very high	87.1	Confident	16 Å²	16	42 Å²	42	9%	0.086	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	65.6	15.3	-165.8	-55.5	-53	0	0	0	115.3	S163 T166 L167 I196	S163-N178 PolarHBondContact O-ND2 2.93Å; T166-N178 PolarHBondContact O-ND2 2.64Å; L167-N178 WeakPolarHBondContact CD2-O 3.33Å; N178-I196 WeakPolarHBondContact CA-O 3.39Å; N178-I196 PolarHBondContact N-O 3.1Å
179	E	94.4	Very high	86.7	Confident	3 Å²	3	38.7 Å²	38.7	1%	0.014	23%	0.231	C	C	.	.			trans	-80.5	133.6	175	-168.9	167.8	162.4	0	0	112.1	L167 K176 I177 V181 C195 I196 P381 L382	L167-E179 HydrophobicContact CD2-CB 3.94Å; L167-E179 HydrophobicContact CD2-CG 4.45Å; K176-E179 HydrophobicContact CB-CB 4.24Å; K176-E179 WeakPolarHBondContact CB-OE2 2.93Å; K176-E179 PolarHBondContact N-OE2 3.2Å; K176-E179 WeakPolarHBondContact O-CB 3.18Å; K176-E179 PolarHBondContact O-N 3.35Å; K176-E179 VanDerWaalsContact O-N 3.12Å; I177-E179 VanDerWaalsContact C-N 3.27Å; E179-V181 PolarHBondContact O-N 2.84Å; E179-C195 WeakPolarHBondContact O-CA 3.41Å; E179-I196 HydrophobicContact CB-CG1 4.17Å; E179-I196 PolarHBondContact O-N 3.04Å; E179-P381 VanDerWaalsContact CD-CB 3.46Å; E179-P381 HydrophobicContact CG-CB 4.02Å; E179-P381 WeakPolarHBondContact OE1-CA 3.47Å; E179-P381 WeakPolarHBondContact OE2-CB 3.4Å; E179-L382 CarbonylContact C-O 3.54Å; E179-L382 WeakPolarHBondContact CA-O 3.2Å
180	L	95.2	Very high	86.7	Confident	6 Å²	6	33.3 Å²	33.3	3%	0.031	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	120.6	173.3	-57.1	-175.5	0	0	0	110.2	C195 R298 L382 S383 G387 F389	L180-C195 HydrophobicContact CD2-CB 4.3Å; L180-R298 HydrophobicContact CB-CB 3.99Å; L180-R298 HydrophobicContact CB-CG 4.48Å; L180-R298 VanDerWaalsContact O-CB 3.28Å; L180-R298 WeakPolarHBondContact O-CB 3.43Å; L180-R298 PolarHBondContact O-N 3.39Å; L180-L382 HydrophobicContact CB-CB 4.18Å; L180-L382 HydrophobicContact CD1-CB 4.38Å; L180-L382 HydrophobicContact CG-CB 4.48Å; L180-L382 PolarHBondContact N-O 3.5Å; L180-S383 WeakPolarHBondContact CD1-O 3.45Å; L180-G387 WeakPolarHBondContact CD1-O 3.2Å; L180-F389 HydrophobicContact CD1-CD2 4Å
181	V	95.6	Very high	87.1	Confident	0 Å²	0	31.9 Å²	31.9	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	164.6	-177.2	-71.2	0	0	0	0	111	Y175 E179 A194 I196 I277 V295 R296 R298	Y175-V181 HydrophobicContact CG-CG1 4.31Å; E179-V181 PolarHBondContact O-N 2.84Å; V181-A194 CarbonylContact C-O 3.48Å; V181-A194 HydrophobicContact CG2-CB 4.17Å; V181-A194 VanDerWaalsContact CG2-O 3.31Å; V181-A194 WeakPolarHBondContact CG2-O 3.38Å; V181-A194 PolarHBondContact N-O 2.65Å; V181-A194 PolarHBondContact O-N 3.39Å; V181-I196 HydrophobicContact CG1-CD1 3.91Å; V181-I196 HydrophobicContact CG1-CG1 3.99Å; V181-I196 HydrophobicContact CG2-CD1 3.87Å; V181-I196 HydrophobicContact CG2-CG1 4.23Å; V181-I277 HydrophobicContact CG2-CG2 4.45Å; V181-V295 HydrophobicContact CB-CG1 3.86Å; V181-V295 HydrophobicContact CG1-CG1 3.84Å; V181-V295 HydrophobicContact CG2-CG1 4.07Å; V181-R296 CarbonylContact C-O 3.3Å; V181-R296 WeakPolarHBondContact CA-O 3.25Å; V181-R296 WeakPolarHBondContact CB-O 3.43Å; V181-R296 WeakPolarHBondContact CG1-O 3.32Å; V181-R298 PolarHBondContact O-NE 3.04Å; V181-R298 PolarHBondContact O-NH2 3.41Å
182	D	95.6	Very high	87.6	Confident	0 Å²	0	29.8 Å²	29.8	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	136.8	157.7	-70.5	-44.7	0	0	0	108.8	W191 F192 R296 R298 A299 R391	D182-W191 HydrophobicContact CB-CB 4.49Å; D182-W191 HydrophobicContact CB-CE3 4.06Å; D182-W191 WeakPolarHBondContact O-CZ3 3.31Å; D182-F192 WeakPolarHBondContact CA-O 3.37Å; D182-R296 HydrophobicContact CB-CG 4.01Å; D182-R296 PolarHBondContact N-O 2.82Å; D182-R296 PolarHBondContact O-N 2.98Å; D182-R298 VanDerWaalsContact OD1-CD 3.27Å; D182-R298 WeakPolarHBondContact OD1-CD 3.26Å; D182-R298 IonicContact OD1-NE 3.18Å; D182-R298 PolarHBondContact OD1-NE 3Å; D182-R298 VanDerWaalsContact OD1-NE 3.16Å; D182-A299 VanDerWaalsContact OD2-CB 3.32Å; D182-A299 WeakPolarHBondContact OD2-CB 3.38Å; D182-A299 PolarHBondContact OD2-N 2.85Å; D182-R391 IonicContact OD1-CZ 3.96Å; D182-R391 VanDerWaalsContact OD1-CZ 3.24Å; D182-R391 IonicContact OD1-NH1 3.82Å; D182-R391 PolarHBondContact OD1-NH1 2.61Å; D182-R391 IonicContact OD1-NH2 2.64Å; D182-R391 PolarHBondContact OD1-NH2 2.81Å; D182-R391 IonicContact OD2-CZ 2.66Å; D182-R391 IonicContact OD2-NH1 3.61Å; D182-R391 PolarHBondContact OD2-NH1 3.02Å; D182-R391 IonicContact OD2-NH2 2.82Å
183	C	93	Very high	88	Confident	0 Å²	0	27.5 Å²	27.5	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	134.8	-178.6	-62.7	0	0	0	0	110.6	W191 F192 A194 I277 Y279 M290 D294	C183-W191 WeakPolarHBondContact O-CA 3.1Å; C183-F192 PolarHBondContact N-O 3.34Å; C183-F192 PolarHBondContact O-N 2.89Å; C183-A194 HydrophobicContact CB-CB 4.32Å; C183-I277 HydrophobicContact CB-CD1 3.83Å; C183-Y279 HydrophobicContact CB-CE1 4.09Å; C183-M290 HydrophobicContact CB-CE 4.25Å; C183-D294 CarbonylContact C-O 3.51Å; C183-D294 VanDerWaalsContact CA-O 3.3Å; C183-D294 WeakPolarHBondContact CA-O 3.28Å
184	R	90.3	Very high	88.4	Confident	38 Å²	38	25.9 Å²	25.9	14%	0.143	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	119.6	-178.3	-179.5	170.4	59.8	-172.3	-2.5	110.2	V186 A190 W191 M290 V293 D294 G354	R184-V186 PolarHBondContact O-N 3.32Å; R184-A190 CarbonylContact C-O 3.53Å; R184-A190 WeakPolarHBondContact CA-O 3.25Å; R184-W191 HydrophobicContact CB-CD2 3.83Å; R184-W191 HydrophobicContact CB-CE3 3.81Å; R184-W191 HydrophobicContact CB-CH2 3.91Å; R184-W191 HydrophobicContact CB-CZ2 3.94Å; R184-W191 HydrophobicContact CB-CZ3 3.84Å; R184-M290 WeakPolarHBondContact O-CE 3.41Å; R184-V293 PolarHBondContact NH2-O 3.02Å; R184-D294 HydrophobicContact CB-CB 4.42Å; R184-D294 IonicContact CZ-OD1 3.4Å; R184-D294 PolarHBondContact N-O 2.98Å; R184-D294 IonicContact NE-OD1 2.75Å; R184-D294 PolarHBondContact NE-OD1 2.88Å; R184-D294 VanDerWaalsContact NE-OD1 3.14Å; R184-D294 IonicContact NH2-OD1 2.72Å; R184-D294 PolarHBondContact NH2-OD1 3.33Å; R184-G354 VanDerWaalsContact NH1-CA 3.32Å
185	D	82.8	Confident	88.7	Confident	50 Å²	50	23.3 Å²	23.3	27%	0.267	12%	0.123	S	C	.	.			trans	-69.2	103.3	163	-173.4	-64.7	0	0	0	108.4	S187 I188 G189 A190 F192	D185-S187 PolarHBondContact O-N 3Å; D185-S187 VanDerWaalsContact OD1-CA 3.28Å; D185-S187 WeakPolarHBondContact OD1-CA 3.49Å; D185-S187 WeakPolarHBondContact OD1-CB 3.19Å; D185-S187 PolarHBondContact OD1-N 2.68Å; D185-S187 PolarHBondContact OD1-OG 2.94Å; D185-I188 HydrophobicContact CB-CD1 4.41Å; D185-I188 HydrophobicContact CB-CG1 3.82Å; D185-I188 PolarHBondContact O-N 2.85Å; D185-I188 PolarHBondContact OD1-N 2.95Å; D185-G189 WeakPolarHBondContact O-CA 3.21Å; D185-G189 PolarHBondContact O-N 3.49Å; D185-A190 PolarHBondContact N-O 2.84Å; D185-F192 HydrophobicContact CB-CD2 4.24Å; D185-F192 HydrophobicContact CB-CE2 3.93Å
186	V	75.4	Confident	88.8	Confident	94 Å²	94	23 Å²	23	57%	0.57	12%	0.122	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-1.2	-178.2	-61.1	0	0	0	0	114.4	R184 D294	R184-V186 PolarHBondContact O-N 3.32Å; V186-D294 HydrophobicContact CG1-CB 4.19Å; V186-D294 VanDerWaalsContact CG1-OD1 3.27Å; V186-D294 WeakPolarHBondContact CG1-OD1 3.45Å
187	S	61.4	Low	88.8	Confident	40 Å²	40	22.9 Å²	22.9	28%	0.28	12%	0.123	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.4	-13.4	-179.2	86.9	0	0	0	0	114.3	R21 D185	R21-S187 PolarHBondContact NH1-OG 2.83Å; D185-S187 PolarHBondContact O-N 3Å; D185-S187 VanDerWaalsContact OD1-CA 3.28Å; D185-S187 WeakPolarHBondContact OD1-CA 3.49Å; D185-S187 WeakPolarHBondContact OD1-CB 3.19Å; D185-S187 PolarHBondContact OD1-N 2.68Å; D185-S187 PolarHBondContact OD1-OG 2.94Å
188	I	71.9	Confident	88.7	Confident	71 Å²	71	24.8 Å²	24.8	36%	0.364	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	-127.8	-9.8	170.4	58.6	170	0	0	0	114	D185 A190 F192 Y330	D185-I188 HydrophobicContact CB-CD1 4.41Å; D185-I188 HydrophobicContact CB-CG1 3.82Å; D185-I188 PolarHBondContact O-N 2.85Å; D185-I188 PolarHBondContact OD1-N 2.95Å; I188-A190 VanDerWaalsContact C-N 3.3Å; I188-A190 HydrophobicContact CD1-CB 4Å; I188-A190 HydrophobicContact CG1-CB 4.14Å; I188-A190 PolarHBondContact O-N 3.12Å; I188-F192 HydrophobicContact CD1-CE2 3.9Å; I188-F192 HydrophobicContact CD1-CZ 3.84Å; I188-Y330 WeakPolarHBondContact O-CE1 3.42Å
189	G	81.8	Confident	88.7	Confident	3 Å²	3	24.3 Å²	24.3	3%	0.031	13%	0.131	C	C	.	.			trans	80.5	0.3	178.2	0	0	0	0	0	115.6	D185 L353	D185-G189 WeakPolarHBondContact O-CA 3.21Å; D185-G189 PolarHBondContact O-N 3.49Å; G189-L353 WeakPolarHBondContact CA-O 3.33Å
190	A	88.6	Confident	88.5	Confident	0 Å²	0	26.2 Å²	26.2	0%	0	14%	0.143	C	C	.	.			trans	-87.9	153	-178.8	0	0	0	0	0	113	R184 D185 I188 F192 F328 W329 Y330	R184-A190 CarbonylContact C-O 3.53Å; R184-A190 WeakPolarHBondContact CA-O 3.25Å; D185-A190 PolarHBondContact N-O 2.84Å; I188-A190 VanDerWaalsContact C-N 3.3Å; I188-A190 HydrophobicContact CD1-CB 4Å; I188-A190 HydrophobicContact CG1-CB 4.14Å; I188-A190 PolarHBondContact O-N 3.12Å; A190-F192 HydrophobicContact CB-CE2 3.66Å; A190-F192 HydrophobicContact CB-CZ 3.93Å; A190-F328 HydrophobicContact CB-CB 3.77Å; A190-F328 HydrophobicContact CB-CG 4.46Å; A190-W329 CarbonylContact C-O 3.58Å; A190-W329 VanDerWaalsContact CA-O 3.25Å; A190-W329 WeakPolarHBondContact CA-O 3.3Å; A190-Y330 HydrophobicContact CB-CD1 4.12Å; A190-Y330 HydrophobicContact CB-CE1 3.64Å
191	W	93.6	Very high	87.9	Confident	12 Å²	12	31.2 Å²	31.2	5%	0.045	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	137.2	177.3	-66.2	91	0	0	0	111.9	D182 C183 R184 R296 M315 W329 D331	D182-W191 HydrophobicContact CB-CB 4.49Å; D182-W191 HydrophobicContact CB-CE3 4.06Å; D182-W191 WeakPolarHBondContact O-CZ3 3.31Å; C183-W191 WeakPolarHBondContact O-CA 3.1Å; R184-W191 HydrophobicContact CB-CD2 3.83Å; R184-W191 HydrophobicContact CB-CE3 3.81Å; R184-W191 HydrophobicContact CB-CH2 3.91Å; R184-W191 HydrophobicContact CB-CZ2 3.94Å; R184-W191 HydrophobicContact CB-CZ3 3.84Å; W191-R296 HydrophobicContact CE3-CG 4Å; W191-R296 HydrophobicContact CH2-CB 4.46Å; W191-R296 HydrophobicContact CH2-CG 4.14Å; W191-R296 VanDerWaalsContact CZ2-NH1 3.34Å; W191-R296 HydrophobicContact CZ3-CB 4.22Å; W191-R296 HydrophobicContact CZ3-CG 3.65Å; W191-M315 HydrophobicContact CB-SD 4.1Å; W191-W329 PolarHBondContact N-O 3Å; W191-D331 PolarHBondContact NE1-OD1 2.79Å; W191-D331 PolarHBondContact NE1-OD2 2.67Å
192	F	92.1	Very high	86.5	Confident	21 Å²	21	33.4 Å²	33.4	9%	0.092	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	148.6	-176.6	-62.9	-88.7	0	0	0	112.7	D182 C183 D185 I188 A190 A194 Y279 Y282 F328	D182-F192 WeakPolarHBondContact CA-O 3.37Å; C183-F192 PolarHBondContact N-O 3.34Å; C183-F192 PolarHBondContact O-N 2.89Å; D185-F192 HydrophobicContact CB-CD2 4.24Å; D185-F192 HydrophobicContact CB-CE2 3.93Å; I188-F192 HydrophobicContact CD1-CE2 3.9Å; I188-F192 HydrophobicContact CD1-CZ 3.84Å; A190-F192 HydrophobicContact CB-CE2 3.66Å; A190-F192 HydrophobicContact CB-CZ 3.93Å; F192-A194 PolarHBondContact O-N 3.36Å; F192-Y279 HydrophobicContact CB-CD1 3.94Å; F192-Y279 HydrophobicContact CB-CE1 3.81Å; F192-Y282 AromaticContact CD1-CE2 3.91Å; F192-Y282 HydrophobicContact CD1-CE2 3.91Å; F192-Y282 HydrophobicContact CE1-CE2 4.24Å; F192-F328 AromaticContact CE1-CD1 3.74Å; F192-F328 HydrophobicContact CE1-CD1 3.74Å; F192-F328 HydrophobicContact CE1-CE1 4.12Å; F192-F328 AromaticContact CZ-CD1 3.74Å; F192-F328 HydrophobicContact CZ-CD1 3.74Å; F192-F328 HydrophobicContact CZ-CE1 4.15Å; F192-F328 HydrophobicContact CZ-CG 4.42Å
193	E	93.7	Very high	84.5	Confident	6 Å²	6	39.7 Å²	39.7	3%	0.028	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	117.2	177.6	-70.5	89.1	147.3	0	0	112.1	E280 R391	E193-E280 HydrophobicContact CB-CB 4.33Å; E193-E280 PolarHBondContact O-N 3.14Å; E193-R391 VanDerWaalsContact CD-CZ 3.43Å; E193-R391 VanDerWaalsContact OE1-CB 3.32Å; E193-R391 WeakPolarHBondContact OE1-CB 3.34Å; E193-R391 IonicContact OE1-CZ 3.66Å; E193-R391 PolarHBondContact OE1-N 2.84Å; E193-R391 IonicContact OE1-NE 2.7Å; E193-R391 PolarHBondContact OE1-NE 3.47Å; E193-R391 IonicContact OE1-NH2 3.26Å; E193-R391 IonicContact OE2-CZ 3.6Å; E193-R391 IonicContact OE2-NE 3.38Å; E193-R391 IonicContact OE2-NH2 2.82Å; E193-R391 PolarHBondContact OE2-NH2 3.29Å
194	A	93.1	Very high	82.1	Confident	0 Å²	0	46.8 Å²	46.8	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	164.9	176.3	0	0	0	0	0	112.9	V181 C183 F192 I277 K278 Y279 R298	V181-A194 CarbonylContact C-O 3.48Å; V181-A194 HydrophobicContact CG2-CB 4.17Å; V181-A194 VanDerWaalsContact CG2-O 3.31Å; V181-A194 WeakPolarHBondContact CG2-O 3.38Å; V181-A194 PolarHBondContact N-O 2.65Å; V181-A194 PolarHBondContact O-N 3.39Å; C183-A194 HydrophobicContact CB-CB 4.32Å; F192-A194 PolarHBondContact O-N 3.36Å; A194-I277 HydrophobicContact CB-CB 4.26Å; A194-I277 HydrophobicContact CB-CD1 3.82Å; A194-K278 CarbonylContact C-O 3.59Å; A194-K278 VanDerWaalsContact CA-O 3.27Å; A194-K278 WeakPolarHBondContact CA-O 3.41Å; A194-K278 WeakPolarHBondContact CB-O 3.25Å; A194-Y279 HydrophobicContact CB-CD1 3.87Å; A194-Y279 HydrophobicContact CB-CE1 4.24Å; A194-R298 VanDerWaalsContact N-NH2 3.18Å; A194-R298 PolarHBondContact O-NH2 2.98Å
195	C	94.4	Very high	79.6	Confident	22 Å²	22	48.3 Å²	48.3	15%	0.149	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	139.8	173.2	-176.5	0	0	0	0	109.8	E179 L180 E197 I277 K278	E179-C195 WeakPolarHBondContact O-CA 3.41Å; L180-C195 HydrophobicContact CD2-CB 4.3Å; C195-E197 PolarHBondContact O-N 2.86Å; C195-I277 CarbonylContact O-C 3.59Å; C195-I277 VanDerWaalsContact O-CA 3.26Å; C195-I277 WeakPolarHBondContact O-CA 3.42Å; C195-K278 PolarHBondContact N-O 3.28Å; C195-K278 PolarHBondContact O-N 3.34Å
196	I	94.2	Very high	77	Confident	0 Å²	0	54.7 Å²	54.7	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	120.1	169.6	-52.2	-64.9	0	0	0	109	K176 I177 N178 E179 V181 V199 Y275 I277 V295	K176-I196 WeakPolarHBondContact O-CB 3.41Å; K176-I196 WeakPolarHBondContact O-CG1 3.42Å; K176-I196 WeakPolarHBondContact O-CG2 3.43Å; I177-I196 HydrophobicContact CG1-CG2 4.4Å; N178-I196 WeakPolarHBondContact CA-O 3.39Å; N178-I196 PolarHBondContact N-O 3.1Å; E179-I196 HydrophobicContact CB-CG1 4.17Å; E179-I196 PolarHBondContact O-N 3.04Å; V181-I196 HydrophobicContact CG1-CD1 3.91Å; V181-I196 HydrophobicContact CG1-CG1 3.99Å; V181-I196 HydrophobicContact CG2-CD1 3.87Å; V181-I196 HydrophobicContact CG2-CG1 4.23Å; I196-V199 HydrophobicContact CG2-CG2 3.68Å; I196-Y275 HydrophobicContact CD1-CD1 4Å; I196-Y275 HydrophobicContact CD1-CG 4.41Å; I196-I277 HydrophobicContact CD1-CG2 3.99Å; I196-V295 HydrophobicContact CD1-CG1 4.13Å
197	E	92.9	Very high	75.3	Confident	69 Å²	69	58 Å²	58	32%	0.322	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	-33	173.5	-168.6	89.9	-176.1	0	0	110.8	R164 I177 C195 H276 V287	R164-E197 IonicContact CZ-OE2 2.82Å; R164-E197 IonicContact NE-OE2 2.81Å; R164-E197 VanDerWaalsContact NH2-CD 3.33Å; R164-E197 IonicContact NH2-OE1 3.36Å; R164-E197 PolarHBondContact NH2-OE1 2.69Å; R164-E197 IonicContact NH2-OE2 3.06Å; R164-E197 PolarHBondContact NH2-OE2 3.47Å; I177-E197 WeakPolarHBondContact CG2-O 3.3Å; C195-E197 PolarHBondContact O-N 2.86Å; E197-H276 PolarHBondContact N-O 2.93Å; E197-V287 HydrophobicContact CG-CG2 4.33Å
198	N	90.9	Very high	73.5	Confident	69 Å²	69	61.4 Å²	61.4	37%	0.369	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	164	173.2	-167.3	23.8	0	0	0	112.6	H276	N198-H276 HydrophobicContact CB-CB 3.94Å; N198-H276 PolarHBondContact N-O 2.82Å; N198-H276 PolarHBondContact O-N 3.14Å
199	V	91.3	Very high	71.5	Confident	7 Å²	7	64 Å²	64	4%	0.042	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	133.2	173.5	-171.6	0	0	0	0	109.3	P170 I172 I177 I196 I273 Y275	P170-V199 HydrophobicContact CB-CB 4.28Å; P170-V199 HydrophobicContact CG-CB 3.92Å; P170-V199 HydrophobicContact CG-CG2 3.95Å; I172-V199 HydrophobicContact CD1-CG1 4.41Å; I172-V199 HydrophobicContact CG1-CG1 4.16Å; I177-V199 HydrophobicContact CG1-CG2 4.29Å; I196-V199 HydrophobicContact CG2-CG2 3.68Å; V199-I273 HydrophobicContact CG1-CG2 3.75Å; V199-Y275 HydrophobicContact CG1-CD1 3.97Å; V199-Y275 HydrophobicContact CG1-CE1 3.83Å; V199-Y275 HydrophobicContact CG2-CD1 3.85Å; V199-Y275 HydrophobicContact CG2-CE1 4.15Å
200	T	89.8	Confident	69.2	Low	43 Å²	43	70.3 Å²	70.3	26%	0.264	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	152.7	-172.4	48.2	0	0	0	0	112	A274 H276	T200-A274 PolarHBondContact N-O 3.41Å; T200-A274 PolarHBondContact O-N 2.9Å; T200-A274 PolarHBondContact OG1-O 3.24Å; T200-H276 PolarHBondContact OG1-CE1 3.07Å; T200-H276 VanDerWaalsContact OG1-CE1 3.27Å; T200-H276 PolarHBondContact OG1-ND1 2.89Å
201	L	84.6	Confident	66.3	Low	111 Å²	111	80.6 Å²	80.6	58%	0.581	45%	0.448	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.5	130.6	168.5	-65	176.1	0	0	0	110.5	I172 D272 I273	I172-L201 HydrophobicContact CB-CD2 4.42Å; I172-L201 HydrophobicContact CD1-CD2 4.11Å; I172-L201 HydrophobicContact CD1-CG 3.89Å; I172-L201 HydrophobicContact CG2-CD2 4.23Å; L201-D272 CarbonylContact C-O 3.5Å; L201-D272 VanDerWaalsContact CA-O 3.26Å; L201-D272 WeakPolarHBondContact CA-O 3.45Å; L201-I273 HydrophobicContact CD2-CG1 4.24Å
202	S	65.1	Low	63.1	Low	46 Å²	46	83.4 Å²	83.4	32%	0.322	48%	0.48	S	S	.	.			trans	-67.1	138.3	170.6	-56.1	0	0	0	0	110.4	K204 D272	S202-K204 PolarHBondContact O-N 2.69Å; S202-D272 PolarHBondContact N-O 2.89Å
203	P	53.9	Low	59.9	Low	131 Å²	131	92 Å²	92	85%	0.851	52%	0.518	S	S	*	.			trans	-75.3	114.7	-175.8	28.5	-33.9	0	0	0	112.6	G205	P203-G205 PolarHBondContact O-N 2.98Å
204	K	42.3	Very low	56.5	Low	149 Å²	149	98.8 Å²	98.8	65%	0.648	56%	0.559	S	S	*	*			trans	-71.7	99.3	178.3	-104.5	174.8	165.9	151.2	0	113.2	S202 E268 D272	S202-K204 PolarHBondContact O-N 2.69Å; K204-E268 PolarHBondContact NZ-O 2.96Å; K204-D272 WeakPolarHBondContact CD-OD1 3.4Å; K204-D272 WeakPolarHBondContact CE-OD1 3.34Å; K204-D272 WeakPolarHBondContact CE-OD2 3.49Å; K204-D272 IonicContact NZ-OD1 3.9Å; K204-D272 PolarHBondContact NZ-OD1 2.78Å; K204-D272 IonicContact NZ-OD2 3.75Å; K204-D272 PolarHBondContact NZ-OD2 3.11Å
205	G	38.7	Very low	53.1	Low	70 Å²	70	102.4 Å²	102.4	72%	0.722	60%	0.597	S	S	*	*			trans	56.5	90.9	146.2	0	0	0	0	0	118.8	P203	P203-G205 PolarHBondContact O-N 2.98Å
206	Q	27.6	Very low	50	Low	184 Å²	184	111.7 Å²	111.7	86%	0.86	63%	0.629	S	S	*	*			trans	-92.7	101.7	166.4	-170.7	176.5	56.5	0	0	111.5	T208	Q206-T208 HydrophobicContact CG-CG2 4.35Å
207	I	39.4	Very low	46.7	Very low	165 Å²	165	117 Å²	117	85%	0.846	66%	0.663	S	S	*	*			trans	-104.2	110	165.4	-59.5	179	0	0	0	108.8
208	T	23.9	Very low	43.5	Very low	110 Å²	110	118.8 Å²	118.8	68%	0.675	68%	0.68	S	S	*	*			trans	-85.9	151.7	171.9	41.1	0	0	0	0	111.7	Q206	Q206-T208 HydrophobicContact CG-CG2 4.35Å
209	P	30.6	Very low	40.3	Very low	125 Å²	125	123.8 Å²	123.8	81%	0.812	70%	0.699	S	S	*	*			trans	-109.2	176.3	-140.2	40.1	-35.5	0	0	0	116.8
210	T	32.6	Very low	37.1	Very low	137 Å²	137	134.9 Å²	134.9	84%	0.84	74%	0.74	S	S	*	*			trans	-105.3	157.4	-161	54.1	0	0	0	0	116.8
211	K	27.5	Very low	33.9	Very low	215 Å²	215	138 Å²	138	94%	0.935	76%	0.759	S	S	*	*			trans	-143.2	141.1	147.7	-72.9	-178.7	179.6	173.3	0	107.6
212	G	26.5	Very low	30.9	Very low	71 Å²	71	140.6 Å²	140.6	73%	0.732	77%	0.774	S	S	*	*			cis	165.2	143.2	-11.5	0	0	0	0	0	113.1
213	K	24.4	Very low	29	Very low	203 Å²	203	142 Å²	142	88%	0.883	80%	0.796	S	S	*	*			trans	73.1	116.6	169.2	-66.3	-174.5	175.5	-178.3	0	120.7
214	V	22.7	Very low	27.6	Very low	148 Å²	148	144.3 Å²	144.3	90%	0.897	79%	0.792	S	S	*	*				43.4	119.6	121.2	-173.5	0	0	0	0	119.3
215	G	21.9	Very low	26.8	Very low	76 Å²	76	143.6 Å²	143.6	78%	0.784	80%	0.795	S	S	*	*			trans	-168.7	73.2	166.3	0	0	0	0	0	115.3
216	R	29.3	Very low	26.1	Very low	217 Å²	217	148.5 Å²	148.5	82%	0.819	80%	0.799	S	S	*	*			trans	-100.7	123.8	173.6	179.5	-175.2	-171	-169.9	11.3	112
217	P	24.6	Very low	26	Very low	111 Å²	111	144.1 Å²	144.1	72%	0.721	79%	0.794	S	S	*	*			trans	-97.7	165.1	150.8	27.7	-15.7	0	0	0	112.1
218	P	25.9	Very low	25.4	Very low	106 Å²	106	143.7 Å²	143.7	69%	0.688	79%	0.789	S	S	*	*			trans	-127.1	173.4	-136.3	40.1	-26.4	0	0	0	117.9
219	K	24.1	Very low	25.5	Very low	175 Å²	175	146.2 Å²	146.2	76%	0.761	79%	0.793	S	S	*	*			trans	12.8	129.1	152.2	-59.2	177.6	178.9	-179.3	0	119.6
220	R	23	Very low	25.3	Very low	239 Å²	239	145 Å²	145	90%	0.902	79%	0.793	S	S	*	*			trans	-169.3	112.8	131	-101.3	177.6	154.5	170.3	-7.6	107.6
221	T	22.9	Very low	25	Very low	108 Å²	108	147.5 Å²	147.5	66%	0.663	80%	0.795	S	S	*	*				87.1	117	64.2	58.8	0	0	0	0	115.7
222	N	22.5	Very low	25	Very low	167 Å²	167	140.7 Å²	140.7	89%	0.893	78%	0.779	S	S	*	*			trans	69.8	151.2	152.3	-64.1	6.9	0	0	0	121.2
223	G	25.6	Very low	25	Very low	76 Å²	76	146.8 Å²	146.8	78%	0.784	79%	0.788	S	S	*	*			trans	87.3	110.6	176.2	0	0	0	0	0	113.3
224	K	23.1	Very low	25.1	Very low	178 Å²	178	140.1 Å²	140.1	77%	0.774	78%	0.778	S	S	*	*			cis	85.5	108.9	8.6	-150.9	-128.6	174.3	-170	0	116.6
225	L	25.5	Very low	25.4	Very low	134 Å²	134	143 Å²	143	70%	0.702	78%	0.781	S	S	*	*			trans	73	150.6	172.6	-50.3	177.9	0	0	0	114.2
226	E	24.8	Very low	25.6	Very low	173 Å²	173	142.6 Å²	142.6	81%	0.808	78%	0.777	S	S	*	*			cis	-127	159.4	3.8	-69.6	-178.8	137.5	0	0	110
227	A	25.7	Very low	25.6	Very low	92 Å²	92	141.4 Å²	141.4	76%	0.76	78%	0.781	S	S	*	*				46	140.2	86.9	0	0	0	0	0	114.8
228	E	25.6	Very low	25.7	Very low	157 Å²	157	142.1 Å²	142.1	73%	0.734	78%	0.783	S	S	*	*			cis	-141.7	141.4	22.4	-69	-166.7	92	0	0	113.3
229	Q	26.3	Very low	25.8	Very low	163 Å²	163	143 Å²	143	76%	0.762	79%	0.787	S	S	*	*				63.3	116.2	103.8	-53.2	-165.7	63.3	0	0	120
230	A	26.4	Very low	25.9	Very low	99 Å²	99	140.7 Å²	140.7	82%	0.818	78%	0.783	S	S	*	*			trans	-155.3	107.1	136.7	0	0	0	0	0	111.6
231	Q	27.1	Very low	26.2	Very low	189 Å²	189	134.8 Å²	134.8	88%	0.883	77%	0.769	S	S	*	*			trans	19.1	146.6	135.4	-70.3	175.4	3.9	0	0	121.3
232	A	26.8	Very low	26.4	Very low	73 Å²	73	134.4 Å²	134.4	60%	0.603	76%	0.763	S	S	*	*			cis	-165	164.7	-1.7	0	0	0	0	0	113.7
233	H	27.7	Very low	26.8	Very low	198 Å²	198	136 Å²	136	92%	0.917	76%	0.756	S	S	*	*			trans	59.4	140.6	159.7	-59.1	-30.9	0	0	0	120.3
234	G	26.2	Very low	26.9	Very low	64 Å²	64	139.4 Å²	139.4	66%	0.66	76%	0.757	S	S	*	*			cis	167.8	155.1	-10	0	0	0	0	0	115.1
235	Q	28.8	Very low	27.1	Very low	209 Å²	209	136.7 Å²	136.7	98%	0.977	75%	0.751	S	S	*	*			trans	65.5	133.9	167.5	-54.8	179.3	0.9	0	0	117.6
236	G	26.8	Very low	27.8	Very low	67 Å²	67	136 Å²	136	69%	0.691	75%	0.754	S	S	*	*			cis	162.7	156.7	-12.8	0	0	0	0	0	114.4
237	Q	29.1	Very low	27.9	Very low	192 Å²	192	132.4 Å²	132.4	90%	0.897	74%	0.744	S	S	*	*			trans	65.7	157.6	165.7	-57.6	-179.8	-1.5	0	0	116.1
238	T	25.6	Very low	27.9	Very low	125 Å²	125	136 Å²	136	77%	0.767	75%	0.749	S	S	*	*			cis	-168.4	160.4	-22.6	28.1	0	0	0	0	105.7
239	T	28.8	Very low	27.9	Very low	125 Å²	125	135 Å²	135	77%	0.767	75%	0.749	S	S	*	*			cis	-126.9	161.1	4.8	37.9	0	0	0	0	109.4
240	D	25.1	Very low	28	Very low	127 Å²	127	132.3 Å²	132.3	68%	0.679	75%	0.748	S	S	*	*			cis	97.8	132.1	30.2	-160.1	29.4	0	0	0	114.9
241	N	29.7	Very low	28.1	Very low	114 Å²	114	136.2 Å²	136.2	61%	0.61	75%	0.75	S	S	*	*			trans	68.2	145.7	170.5	-61.4	-55.7	0	0	0	120
242	N	27.5	Very low	28.2	Very low	100 Å²	100	133.1 Å²	133.1	54%	0.535	75%	0.749	S	S	.	*			cis	-167.3	150	-13.4	-122.4	-30.4	0	0	0	112.8
243	R	30.5	Very low	28.3	Very low	200 Å²	200	138 Å²	138	76%	0.755	77%	0.765	S	S	*	*			trans	59.8	154.9	142.1	-68.9	162.6	-169.8	-179.5	0.3	119.4
244	N	27.8	Very low	28.3	Very low	149 Å²	149	132.4 Å²	132.4	80%	0.797	76%	0.761	S	S	*	*			cis	-152.5	156.1	-8.3	-122	-5.1	0	0	0	111.1
245	N	26.9	Very low	28.4	Very low	121 Å²	121	134.2 Å²	134.2	65%	0.647	77%	0.769	S	S	*	*			trans	-91.5	157.9	160.5	-153	-13	0	0	0	108.1	V247	N245-V247 PolarHBondContact OD1-N 2.86Å
246	P	39.7	Very low	28.2	Very low	119 Å²	119	130.3 Å²	130.3	77%	0.773	77%	0.765	S	S	*	*				-150.8	130.4	85.3	36.4	-16.5	0	0	0	117.2
247	V	27.3	Very low	28.5	Very low	98 Å²	98	133.9 Å²	133.9	59%	0.594	77%	0.773	S	S	*	*				31.1	120.3	118.9	-173.4	0	0	0	0	118.5	N245	N245-V247 PolarHBondContact OD1-N 2.86Å
248	L	27.2	Very low	28.5	Very low	166 Å²	166	130.6 Å²	130.6	87%	0.869	77%	0.772	S	S	*	*				-167.3	164.9	119.9	-103.7	171.3	0	0	0	112.4
249	N	25.6	Very low	29	Very low	138 Å²	138	133.5 Å²	133.5	74%	0.738	78%	0.777	S	S	*	*			trans	-103.5	154.3	-167	-56.6	-23.1	0	0	0	113.4
250	S	28.1	Very low	29	Very low	106 Å²	106	136.5 Å²	136.5	74%	0.741	78%	0.779	S	S	*	*				158.1	134.3	105.6	-81.8	0	0	0	0	115.7
251	E	27.3	Very low	29.1	Very low	181 Å²	181	136.6 Å²	136.6	85%	0.846	78%	0.779	S	S	*	*			trans	10.7	128.4	150.3	-54.7	177.9	115.4	0	0	121.4
252	S	29.3	Very low	29.2	Very low	124 Å²	124	135.7 Å²	135.7	87%	0.867	78%	0.782	S	S	*	*				179.5	164	111.4	42.4	0	0	0	0	112.9
253	N	28.9	Very low	29.5	Very low	176 Å²	176	136.4 Å²	136.4	94%	0.941	79%	0.791	S	S	*	*			trans	-80.1	142	-174.9	-72	-43.1	0	0	0	113.4
254	G	27	Very low	29.5	Very low	80 Å²	80	132 Å²	132	83%	0.825	79%	0.786	S	S	*	*			trans	-156.8	111	164.9	0	0	0	0	0	111.9
255	A	29	Very low	29.7	Very low	102 Å²	102	130 Å²	130	84%	0.843	77%	0.772	S	S	*	*			trans	-89.5	124.5	174	0	0	0	0	0	110.1
256	S	25.7	Very low	30.1	Very low	127 Å²	127	128.4 Å²	128.4	89%	0.888	77%	0.766	S	S	*	*			trans	-157.8	157.4	168.5	-84.4	0	0	0	0	111.6
257	T	32.4	Very low	30.2	Very low	141 Å²	141	130.1 Å²	130.1	87%	0.865	76%	0.762	S	S	*	*			trans	-94.3	138.4	-165.9	45.4	0	0	0	0	113.3
258	S	28.8	Very low	30.7	Very low	123 Å²	123	131.9 Å²	131.9	86%	0.86	76%	0.764	S	S	*	*			trans	-163.4	161.2	145	46.6	0	0	0	0	110.1
259	Q	35.9	Very low	31.6	Very low	186 Å²	186	129.2 Å²	129.2	87%	0.869	75%	0.745	S	S	*	*			trans	-98.8	168.4	-179.6	-66.6	176.7	-38.8	0	0	111.2
260	K	29.1	Very low	32.9	Very low	188 Å²	188	126.7 Å²	126.7	82%	0.817	73%	0.729	S	S	*	*			trans	99.8	137.8	177.5	-64.1	-171.2	177.6	-171.4	0	114.8
261	D	26.9	Very low	34.1	Very low	129 Å²	129	129.5 Å²	129.5	69%	0.69	73%	0.73	S	S	*	*			cis	-128.2	142.4	-3.1	-88.7	-46	0	0	0	111.8	T263	D261-T263 PolarHBondContact O-N 2.7Å
262	S	31.8	Very low	36.4	Very low	96 Å²	96	122.6 Å²	122.6	67%	0.671	70%	0.699	S	S	*	*			trans	-89.5	89.3	-175.2	-58.8	0	0	0	0	112.1
263	T	34.7	Very low	39.1	Very low	115 Å²	115	117.6 Å²	117.6	71%	0.706	66%	0.662	S	S	*	*	S	Bend	trans	-124	-6.8	172.8	50.2	0	0	0	0	114.8	D261	D261-T263 PolarHBondContact O-N 2.7Å
264	T	29.9	Very low	42	Very low	106 Å²	106	109.4 Å²	109.4	65%	0.65	62%	0.619	S	S	*	*	S	Bend	trans	-99	-36.8	175	26.8	0	0	0	0	113.8	T266 K267	T264-T266 PolarHBondContact O-N 3.15Å; T264-T266 VanDerWaalsContact O-N 3.1Å; T264-K267 PolarHBondContact O-N 3.06Å
265	E	31.1	Very low	45.1	Very low	108 Å²	108	105.7 Å²	105.7	51%	0.505	58%	0.58	S	S	.	*	T	Hydrogen-bonded Turn	trans	-62.6	-17	-175.5	-88.3	-161.9	-142.6	0	0	116.1	K269	E265-K269 VanDerWaalsContact O-CD 3.27Å; E265-K269 WeakPolarHBondContact O-CD 3.2Å; E265-K269 WeakPolarHBondContact O-CE 3.36Å; E265-K269 WeakPolarHBondContact O-CG 3.34Å; E265-K269 IonicContact OE2-NZ 3.98Å; E265-K269 PolarHBondContact OE2-NZ 2.81Å
266	T	35.6	Very low	48.2	Very low	87 Å²	87	103.1 Å²	103.1	53%	0.534	55%	0.551	S	S	.	*	T	Hydrogen-bonded Turn	trans	-80.1	-39.2	-178.9	39.4	0	0	0	0	112.4	T264 K269 E270	T264-T266 PolarHBondContact O-N 3.15Å; T264-T266 VanDerWaalsContact O-N 3.1Å; T266-K269 PolarHBondContact O-N 2.89Å; T266-E270 PolarHBondContact O-N 2.89Å
267	K	42.1	Very low	51.4	Low	155 Å²	155	97.1 Å²	97.1	67%	0.674	51%	0.509	S	S	*	.	H	α-helix	trans	-65.3	-42.1	179.8	-73	-169.5	171.2	-170.7	0	112.3	T264 K269 E270	T264-K267 PolarHBondContact O-N 3.06Å; K267-K269 PolarHBondContact O-N 3Å; K267-E270 PolarHBondContact O-N 2.9Å; K267-E270 VanDerWaalsContact O-N 3.1Å
268	E	38.5	Very low	54.1	Low	136 Å²	136	93.1 Å²	93.1	64%	0.636	48%	0.479	S	S	*	.	H	α-helix	trans	-66.9	-3.1	177.6	-62.4	-175	170.3	0	0	114.4	K204	K204-E268 PolarHBondContact NZ-O 2.96Å
269	K	45.1	Very low	56.9	Low	110 Å²	110	88.3 Å²	88.3	48%	0.478	44%	0.442	S	S	.	.	H	α-helix	trans	-109.6	-11.8	175.6	-67.2	170.8	-169.4	156.4	0	113.2	E265 T266 K267 I273	E265-K269 VanDerWaalsContact O-CD 3.27Å; E265-K269 WeakPolarHBondContact O-CD 3.2Å; E265-K269 WeakPolarHBondContact O-CE 3.36Å; E265-K269 WeakPolarHBondContact O-CG 3.34Å; E265-K269 IonicContact OE2-NZ 3.98Å; E265-K269 PolarHBondContact OE2-NZ 2.81Å; T266-K269 PolarHBondContact O-N 2.89Å; K267-K269 PolarHBondContact O-N 3Å; K269-I273 WeakPolarHBondContact O-CD1 3.38Å; K269-I273 WeakPolarHBondContact O-CG1 3.31Å
270	E	52.7	Low	59.1	Low	85 Å²	85	81.9 Å²	81.9	40%	0.397	41%	0.412	S	S	.	.	H	α-helix	trans	-88.3	-16.5	177.6	-72.1	-177.3	149	0	0	113.5	T266 K267 S292	T266-E270 PolarHBondContact O-N 2.89Å; K267-E270 PolarHBondContact O-N 2.9Å; K267-E270 VanDerWaalsContact O-N 3.1Å; E270-S292 PolarHBondContact O-OG 2.72Å
271	E	54.8	Low	61.2	Low	165 Å²	165	76.6 Å²	76.6	77%	0.771	39%	0.393	S	S	*	.	S	Bend	trans	-82.8	-22.1	172.3	-61.1	-171.6	159.4	0	0	112.5	I273	E271-I273 PolarHBondContact O-N 3.39Å; E271-I273 VanDerWaalsContact O-N 3.16Å
272	D	76	Confident	63.4	Low	36 Å²	36	74.9 Å²	74.9	19%	0.193	38%	0.378	C	S	.	.	S	Bend	trans	-75.9	12.5	177.2	-75.6	-13.8	0	0	0	113.8	L201 S202 K204	L201-D272 CarbonylContact C-O 3.5Å; L201-D272 VanDerWaalsContact CA-O 3.26Å; L201-D272 WeakPolarHBondContact CA-O 3.45Å; S202-D272 PolarHBondContact N-O 2.89Å; K204-D272 WeakPolarHBondContact CD-OD1 3.4Å; K204-D272 WeakPolarHBondContact CE-OD1 3.34Å; K204-D272 WeakPolarHBondContact CE-OD2 3.49Å; K204-D272 IonicContact NZ-OD1 3.9Å; K204-D272 PolarHBondContact NZ-OD1 2.78Å; K204-D272 IonicContact NZ-OD2 3.75Å; K204-D272 PolarHBondContact NZ-OD2 3.11Å
273	I	86.1	Confident	65.2	Low	18 Å²	18	73.7 Å²	73.7	9%	0.092	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	118.2	-166.1	-50	-175.6	0	0	0	112.2	V199 L201 K269 E271 Y275	V199-I273 HydrophobicContact CG1-CG2 3.75Å; L201-I273 HydrophobicContact CD2-CG1 4.24Å; K269-I273 WeakPolarHBondContact O-CD1 3.38Å; K269-I273 WeakPolarHBondContact O-CG1 3.31Å; E271-I273 PolarHBondContact O-N 3.39Å; E271-I273 VanDerWaalsContact O-N 3.16Å; I273-Y275 HydrophobicContact CB-CE2 4.49Å; I273-Y275 HydrophobicContact CG2-CE1 4.35Å; I273-Y275 HydrophobicContact CG2-CE2 3.91Å
274	A	88.8	Confident	66.2	Low	5 Å²	5	74.6 Å²	74.6	4%	0.041	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	130.6	177.8	0	0	0	0	0	111.2	T200 E289	T200-A274 PolarHBondContact N-O 3.41Å; T200-A274 PolarHBondContact O-N 2.9Å; T200-A274 PolarHBondContact OG1-O 3.24Å; A274-E289 HydrophobicContact CB-CG 3.85Å
275	Y	93.1	Very high	67.9	Low	2 Å²	2	73.8 Å²	73.8	1%	0.008	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	121.1	178.8	-61.6	-87.6	0	0	0	109.3	G173 L174 Y175 I196 V199 I273 M290	G173-Y275 VanDerWaalsContact CA-OH 3.31Å; G173-Y275 WeakPolarHBondContact CA-OH 3.36Å; L174-Y275 PolarHBondContact N-OH 2.88Å; Y175-Y275 AromaticContact CD2-CD1 3.92Å; Y175-Y275 HydrophobicContact CD2-CD1 3.92Å; Y175-Y275 AromaticContact CD2-CE1 3.59Å; Y175-Y275 HydrophobicContact CD2-CE1 3.59Å; Y175-Y275 HydrophobicContact CD2-CE2 4.37Å; Y175-Y275 HydrophobicContact CD2-CG 4.43Å; Y175-Y275 AromaticContact CD2-CZ 3.84Å; Y175-Y275 HydrophobicContact CG-CE1 4.2Å; I196-Y275 HydrophobicContact CD1-CD1 4Å; I196-Y275 HydrophobicContact CD1-CG 4.41Å; V199-Y275 HydrophobicContact CG1-CD1 3.97Å; V199-Y275 HydrophobicContact CG1-CE1 3.83Å; V199-Y275 HydrophobicContact CG2-CD1 3.85Å; V199-Y275 HydrophobicContact CG2-CE1 4.15Å; I273-Y275 HydrophobicContact CB-CE2 4.49Å; I273-Y275 HydrophobicContact CG2-CE1 4.35Å; I273-Y275 HydrophobicContact CG2-CE2 3.91Å; Y275-M290 PolarHBondContact N-O 3.43Å; Y275-M290 PolarHBondContact O-N 2.8Å
276	H	92.2	Very high	70.3	Confident	48 Å²	48	70.1 Å²	70.1	22%	0.222	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	112.7	174.6	-73.6	60.6	0	0	0	108.2	E197 N198 T200 V287 V288 E289	E197-H276 PolarHBondContact N-O 2.93Å; N198-H276 HydrophobicContact CB-CB 3.94Å; N198-H276 PolarHBondContact N-O 2.82Å; N198-H276 PolarHBondContact O-N 3.14Å; T200-H276 PolarHBondContact OG1-CE1 3.07Å; T200-H276 VanDerWaalsContact OG1-CE1 3.27Å; T200-H276 PolarHBondContact OG1-ND1 2.89Å; H276-V287 HydrophobicContact CB-CG1 3.83Å; H276-V288 WeakPolarHBondContact CA-O 3.15Å; H276-E289 IonicContact CE1-OE2 2.71Å
277	I	92.8	Very high	72.8	Confident	0 Å²	0	69.8 Å²	69.8	0%	0	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	162.5	-174.8	62.1	148.7	0	0	0	112.4	V181 C183 A194 C195 I196 Y279 V287 V288 M290	V181-I277 HydrophobicContact CG2-CG2 4.45Å; C183-I277 HydrophobicContact CB-CD1 3.83Å; A194-I277 HydrophobicContact CB-CB 4.26Å; A194-I277 HydrophobicContact CB-CD1 3.82Å; C195-I277 CarbonylContact O-C 3.59Å; C195-I277 VanDerWaalsContact O-CA 3.26Å; C195-I277 WeakPolarHBondContact O-CA 3.42Å; I196-I277 HydrophobicContact CD1-CG2 3.99Å; I277-Y279 HydrophobicContact CD1-CD1 4.28Å; I277-Y279 HydrophobicContact CD1-CD2 4.31Å; I277-Y279 HydrophobicContact CD1-CE1 3.83Å; I277-Y279 HydrophobicContact CD1-CE2 3.89Å; I277-Y279 HydrophobicContact CD1-CG 4.49Å; I277-V287 CarbonylContact O-C 3.53Å; I277-V287 VanDerWaalsContact O-CA 3.25Å; I277-V287 WeakPolarHBondContact O-CA 3.15Å; I277-V288 HydrophobicContact CD1-CB 4.49Å; I277-V288 HydrophobicContact CG1-CB 4.09Å; I277-V288 VanDerWaalsContact CG1-O 3.25Å; I277-V288 WeakPolarHBondContact CG1-O 3.47Å; I277-V288 PolarHBondContact N-O 2.85Å; I277-V288 PolarHBondContact O-N 3.1Å; I277-M290 HydrophobicContact CD1-CG 3.72Å; I277-M290 HydrophobicContact CG1-CG 3.69Å
278	K	90.3	Very high	74.9	Confident	58 Å²	58	64.4 Å²	64.4	25%	0.252	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	127.5	159.4	179.7	155	-168.5	153.7	0	110.4	A194 C195 P283 G286	A194-K278 CarbonylContact C-O 3.59Å; A194-K278 VanDerWaalsContact CA-O 3.27Å; A194-K278 WeakPolarHBondContact CA-O 3.41Å; A194-K278 WeakPolarHBondContact CB-O 3.25Å; C195-K278 PolarHBondContact N-O 3.28Å; C195-K278 PolarHBondContact O-N 3.34Å; K278-P283 VanDerWaalsContact CE-CA 3.45Å; K278-P283 VanDerWaalsContact CE-O 3.28Å; K278-P283 WeakPolarHBondContact CE-O 3.42Å; K278-P283 PolarHBondContact NZ-O 3.43Å; K278-G286 WeakPolarHBondContact CD-O 3.39Å; K278-G286 WeakPolarHBondContact CG-O 3.44Å
279	Y	87.3	Confident	77.4	Confident	21 Å²	21	64 Å²	64	8%	0.082	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	140.2	171.8	-70	-67.5	0	0	0	111	C183 F192 A194 I277 N285 V288	C183-Y279 HydrophobicContact CB-CE1 4.09Å; F192-Y279 HydrophobicContact CB-CD1 3.94Å; F192-Y279 HydrophobicContact CB-CE1 3.81Å; A194-Y279 HydrophobicContact CB-CD1 3.87Å; A194-Y279 HydrophobicContact CB-CE1 4.24Å; I277-Y279 HydrophobicContact CD1-CD1 4.28Å; I277-Y279 HydrophobicContact CD1-CD2 4.31Å; I277-Y279 HydrophobicContact CD1-CE1 3.83Å; I277-Y279 HydrophobicContact CD1-CE2 3.89Å; I277-Y279 HydrophobicContact CD1-CG 4.49Å; Y279-N285 HydrophobicContact CD2-CB 4.49Å; Y279-V288 HydrophobicContact CE2-CG2 4.31Å
280	E	82.1	Confident	79.5	Confident	52 Å²	52	59.7 Å²	59.7	24%	0.243	30%	0.304	C	S	.	.	S	Bend	trans	-76.4	-41	-176.2	-73.6	-169.4	-137.7	0	0	113.4	E193 R298 K390	E193-E280 HydrophobicContact CB-CB 4.33Å; E193-E280 PolarHBondContact O-N 3.14Å; E280-R298 IonicContact OE1-CZ 2.69Å; E280-R298 IonicContact OE1-NH1 2.86Å; E280-R298 PolarHBondContact OE1-NH1 2.82Å; E280-R298 IonicContact OE1-NH2 2.83Å; E280-R298 PolarHBondContact OE1-NH2 2.92Å; E280-K390 WeakPolarHBondContact OE2-CE 3.38Å; E280-K390 IonicContact OE2-NZ 3.95Å
281	D	73.8	Confident	81.2	Confident	77 Å²	77	62.7 Å²	62.7	41%	0.412	31%	0.312	S	S	.	.	S	Bend	trans	-96.9	-3	-177.9	-68.9	-48.6	0	0	0	113.6	K390	D281-K390 IonicContact OD1-NZ 2.97Å; D281-K390 PolarHBondContact OD1-NZ 2.86Å; D281-K390 IonicContact OD2-NZ 3.91Å
282	Y	72.4	Confident	82.7	Confident	93 Å²	93	56 Å²	56	37%	0.365	28%	0.284	S	S	.	.			trans	-126.8	57.8	177.6	-52.7	-73.1	0	0	0	111.6	F192 E284 N285	F192-Y282 AromaticContact CD1-CE2 3.91Å; F192-Y282 HydrophobicContact CD1-CE2 3.91Å; F192-Y282 HydrophobicContact CE1-CE2 4.24Å; Y282-E284 WeakPolarHBondContact CA-OE1 3.4Å; Y282-E284 WeakPolarHBondContact CA-OE2 3.45Å; Y282-E284 WeakPolarHBondContact CB-OE1 3.27Å; Y282-E284 PolarHBondContact O-N 3.29Å; Y282-E284 VanDerWaalsContact O-N 3.17Å; Y282-N285 WeakPolarHBondContact CB-ND2 3.43Å; Y282-N285 WeakPolarHBondContact O-CB 3.34Å; Y282-N285 PolarHBondContact O-N 3.38Å; Y282-N285 VanDerWaalsContact O-N 3.14Å
283	P	69.9	Low	83.3	Confident	70 Å²	70	58.6 Å²	58.6	46%	0.455	30%	0.3	S	S	.	.	G	3₁₀ helix	trans	-64.5	-18.2	-173.8	28.6	-37.6	0	0	0	114.5	K278 N285 G286	K278-P283 VanDerWaalsContact CE-CA 3.45Å; K278-P283 VanDerWaalsContact CE-O 3.28Å; K278-P283 WeakPolarHBondContact CE-O 3.42Å; K278-P283 PolarHBondContact NZ-O 3.43Å; P283-N285 VanDerWaalsContact C-N 3.32Å; P283-G286 PolarHBondContact O-N 2.95Å
284	E	55.6	Low	83.6	Confident	134 Å²	134	57.9 Å²	57.9	63%	0.626	30%	0.297	S	S	*	.	G	3₁₀ helix	trans	-68.2	-24.8	174.2	68.3	-71.9	167.2	0	0	113.6	Y282 G286	Y282-E284 WeakPolarHBondContact CA-OE1 3.4Å; Y282-E284 WeakPolarHBondContact CA-OE2 3.45Å; Y282-E284 WeakPolarHBondContact CB-OE1 3.27Å; Y282-E284 PolarHBondContact O-N 3.29Å; Y282-E284 VanDerWaalsContact O-N 3.17Å; E284-G286 PolarHBondContact O-N 3.14Å; E284-G286 VanDerWaalsContact O-N 3.1Å
285	N	64.9	Low	83.8	Confident	89 Å²	89	57.9 Å²	57.9	48%	0.476	30%	0.296	S	S	.	.	G	3₁₀ helix	trans	-69.2	-3.5	175	-71.6	-26.8	0	0	0	113.4	Y279 Y282 P283 V287 V288	Y279-N285 HydrophobicContact CD2-CB 4.49Å; Y282-N285 WeakPolarHBondContact CB-ND2 3.43Å; Y282-N285 WeakPolarHBondContact O-CB 3.34Å; Y282-N285 PolarHBondContact O-N 3.38Å; Y282-N285 VanDerWaalsContact O-N 3.14Å; P283-N285 VanDerWaalsContact C-N 3.32Å; N285-V287 PolarHBondContact O-N 3.01Å; N285-V288 HydrophobicContact CB-CG2 4.46Å
286	G	82.6	Confident	83.9	Confident	31 Å²	31	58.4 Å²	58.4	32%	0.32	30%	0.298	S	S	.	.			trans	73.4	-123.3	173.7	0	0	0	0	0	112.9	K278 P283 E284	K278-G286 WeakPolarHBondContact CD-O 3.39Å; K278-G286 WeakPolarHBondContact CG-O 3.44Å; P283-G286 PolarHBondContact O-N 2.95Å; E284-G286 PolarHBondContact O-N 3.14Å; E284-G286 VanDerWaalsContact O-N 3.1Å
287	V	87.3	Confident	84	Confident	80 Å²	80	56.1 Å²	56.1	49%	0.485	29%	0.288	S	S	.	.			trans	-123.8	129.3	173.6	176.6	0	0	0	0	107.5	E197 H276 I277 N285	E197-V287 HydrophobicContact CG-CG2 4.33Å; H276-V287 HydrophobicContact CB-CG1 3.83Å; I277-V287 CarbonylContact O-C 3.53Å; I277-V287 VanDerWaalsContact O-CA 3.25Å; I277-V287 WeakPolarHBondContact O-CA 3.15Å; N285-V287 PolarHBondContact O-N 3.01Å
288	V	86.1	Confident	84.2	Confident	42 Å²	42	56.1 Å²	56.1	26%	0.255	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	135.6	-172.1	-176.9	0	0	0	0	109.7	H276 I277 Y279 N285 M290	H276-V288 WeakPolarHBondContact CA-O 3.15Å; I277-V288 HydrophobicContact CD1-CB 4.49Å; I277-V288 HydrophobicContact CG1-CB 4.09Å; I277-V288 VanDerWaalsContact CG1-O 3.25Å; I277-V288 WeakPolarHBondContact CG1-O 3.47Å; I277-V288 PolarHBondContact N-O 2.85Å; I277-V288 PolarHBondContact O-N 3.1Å; Y279-V288 HydrophobicContact CE2-CG2 4.31Å; N285-V288 HydrophobicContact CB-CG2 4.46Å; V288-M290 HydrophobicContact CG1-SD 4.16Å
289	E	91	Very high	84.4	Confident	129 Å²	129	53.5 Å²	53.5	60%	0.603	28%	0.277	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.1	130.6	175.7	-169.1	-172.5	86.4	0	0	111.2	A274 H276	A274-E289 HydrophobicContact CB-CG 3.85Å; H276-E289 IonicContact CE1-OE2 2.71Å
290	M	88.9	Confident	84.6	Confident	19 Å²	19	55.5 Å²	55.5	9%	0.094	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	145.4	-176.6	-63.5	-61.7	-72.9	0	0	111.4	C183 R184 Y275 I277 V288 D294 V295	C183-M290 HydrophobicContact CB-CE 4.25Å; R184-M290 WeakPolarHBondContact O-CE 3.41Å; Y275-M290 PolarHBondContact N-O 3.43Å; Y275-M290 PolarHBondContact O-N 2.8Å; I277-M290 HydrophobicContact CD1-CG 3.72Å; I277-M290 HydrophobicContact CG1-CG 3.69Å; V288-M290 HydrophobicContact CG1-SD 4.16Å; M290-D294 HydrophobicContact CE-CB 3.72Å; M290-V295 HydrophobicContact CB-CG2 3.56Å; M290-V295 HydrophobicContact CG-CG2 4.44Å
291	R	88.6	Confident	85.1	Confident	148 Å²	148	55.5 Å²	55.5	56%	0.558	29%	0.288	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.5	155.8	176.9	-56.9	178.6	-60.1	168.5	4.3	111.2	V293 D294	R291-V293 HydrophobicContact CB-CG2 4.12Å; R291-V293 PolarHBondContact O-N 2.94Å; R291-V293 VanDerWaalsContact O-N 3.14Å; R291-D294 IonicContact CZ-OD2 3.05Å; R291-D294 IonicContact NE-OD2 2.8Å; R291-D294 PolarHBondContact NE-OD2 3.27Å; R291-D294 IonicContact NH2-OD1 2.9Å; R291-D294 PolarHBondContact NH2-OD1 3.31Å; R291-D294 IonicContact NH2-OD2 3.67Å; R291-D294 PolarHBondContact NH2-OD2 2.8Å; R291-D294 PolarHBondContact O-N 3.21Å
292	S	87.4	Confident	86.1	Confident	25 Å²	25	55.8 Å²	55.8	18%	0.175	29%	0.289	C	S	.	.	G	3₁₀ helix	trans	-47.2	-40.4	172.9	48.7	0	0	0	0	114.3	E270 D294	E270-S292 PolarHBondContact O-OG 2.72Å; S292-D294 VanDerWaalsContact C-N 3.28Å; S292-D294 PolarHBondContact O-N 2.73Å
293	V	88.2	Confident	87.2	Confident	89 Å²	89	52.4 Å²	52.4	54%	0.539	28%	0.277	S	S	.	.	G	3₁₀ helix	trans	-74	-11.4	-180	-60.1	0	0	0	0	115.2	R184 R291	R184-V293 PolarHBondContact NH2-O 3.02Å; R291-V293 HydrophobicContact CB-CG2 4.12Å; R291-V293 PolarHBondContact O-N 2.94Å; R291-V293 VanDerWaalsContact O-N 3.14Å
294	D	91.4	Very high	88.3	Confident	4 Å²	4	56.4 Å²	56.4	2%	0.021	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-111.7	11.5	-177.8	-58	-53	0	0	0	112.2	C183 R184 V186 M290 R291 S292	C183-D294 CarbonylContact C-O 3.51Å; C183-D294 VanDerWaalsContact CA-O 3.3Å; C183-D294 WeakPolarHBondContact CA-O 3.28Å; R184-D294 HydrophobicContact CB-CB 4.42Å; R184-D294 IonicContact CZ-OD1 3.4Å; R184-D294 PolarHBondContact N-O 2.98Å; R184-D294 IonicContact NE-OD1 2.75Å; R184-D294 PolarHBondContact NE-OD1 2.88Å; R184-D294 VanDerWaalsContact NE-OD1 3.14Å; R184-D294 IonicContact NH2-OD1 2.72Å; R184-D294 PolarHBondContact NH2-OD1 3.33Å; V186-D294 HydrophobicContact CG1-CB 4.19Å; V186-D294 VanDerWaalsContact CG1-OD1 3.27Å; V186-D294 WeakPolarHBondContact CG1-OD1 3.45Å; M290-D294 HydrophobicContact CE-CB 3.72Å; R291-D294 IonicContact CZ-OD2 3.05Å; R291-D294 IonicContact NE-OD2 2.8Å; R291-D294 PolarHBondContact NE-OD2 3.27Å; R291-D294 IonicContact NH2-OD1 2.9Å; R291-D294 PolarHBondContact NH2-OD1 3.31Å; R291-D294 IonicContact NH2-OD2 3.67Å; R291-D294 PolarHBondContact NH2-OD2 2.8Å; R291-D294 PolarHBondContact O-N 3.21Å; S292-D294 VanDerWaalsContact C-N 3.28Å; S292-D294 PolarHBondContact O-N 2.73Å
295	V	93.2	Very high	90	Very high	4 Å²	4	51.7 Å²	51.7	2%	0.024	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	131.8	-179.7	-176.6	0	0	0	0	109.8	Y175 V181 I196 M290	Y175-V295 HydrophobicContact CD2-CB 4.25Å; Y175-V295 HydrophobicContact CD2-CG1 3.61Å; Y175-V295 HydrophobicContact CE2-CB 3.83Å; Y175-V295 HydrophobicContact CE2-CG1 3.55Å; Y175-V295 WeakPolarHBondContact CE2-O 3.27Å; Y175-V295 HydrophobicContact CG-CG1 4.5Å; Y175-V295 PolarHBondContact OH-O 2.63Å; V181-V295 HydrophobicContact CB-CG1 3.86Å; V181-V295 HydrophobicContact CG1-CG1 3.84Å; V181-V295 HydrophobicContact CG2-CG1 4.07Å; I196-V295 HydrophobicContact CD1-CG1 4.13Å; M290-V295 HydrophobicContact CB-CG2 3.56Å; M290-V295 HydrophobicContact CG-CG2 4.44Å
296	R	94.8	Very high	91.3	Very high	13 Å²	13	52.5 Å²	52.5	5%	0.049	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	161.7	174.9	70.9	-175.5	177.2	-159.4	5.9	112.3	Y175 V181 D182 W191 M315 D331	Y175-R296 WeakPolarHBondContact OH-CA 3.26Å; V181-R296 CarbonylContact C-O 3.3Å; V181-R296 WeakPolarHBondContact CA-O 3.25Å; V181-R296 WeakPolarHBondContact CB-O 3.43Å; V181-R296 WeakPolarHBondContact CG1-O 3.32Å; D182-R296 HydrophobicContact CB-CG 4.01Å; D182-R296 PolarHBondContact N-O 2.82Å; D182-R296 PolarHBondContact O-N 2.98Å; W191-R296 HydrophobicContact CE3-CG 4Å; W191-R296 HydrophobicContact CH2-CB 4.46Å; W191-R296 HydrophobicContact CH2-CG 4.14Å; W191-R296 VanDerWaalsContact CZ2-NH1 3.34Å; W191-R296 HydrophobicContact CZ3-CB 4.22Å; W191-R296 HydrophobicContact CZ3-CG 3.65Å; R296-M315 PolarHBondContact NH2-SD 2.65Å; R296-D331 IonicContact CZ-OD1 3.9Å; R296-D331 IonicContact CZ-OD2 3.63Å; R296-D331 IonicContact NH1-OD1 2.75Å; R296-D331 PolarHBondContact NH1-OD1 3.16Å; R296-D331 IonicContact NH1-OD2 2.77Å; R296-D331 PolarHBondContact NH1-OD2 2.7Å; R296-D331 IonicContact NH2-OD1 3.59Å; R296-D331 PolarHBondContact NH2-OD1 2.77Å; R296-D331 IonicContact NH2-OD2 2.71Å
297	P	95.8	Very high	91.8	Very high	1 Å²	1	55.1 Å²	55.1	1%	0.006	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.7	143	175	-22	34.3	0	0	0	111.3	Y175 A299 E375 A379	Y175-P297 HydrophobicContact CE1-CG 3.88Å; P297-A299 PolarHBondContact O-N 3.36Å; P297-E375 HydrophobicContact CB-CB 4.27Å; P297-A379 HydrophobicContact CB-CB 4.17Å; P297-A379 HydrophobicContact CG-CB 4.09Å
298	R	95.6	Very high	92.1	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	25%	0.248	C	C	.	.	P	Polyproline II helix	trans	-52.1	126.3	-179.4	177.8	63.6	59.1	74	14.7	112.1	L180 V181 D182 A194 E280 R300 L382 Q388 F389	L180-R298 HydrophobicContact CB-CB 3.99Å; L180-R298 HydrophobicContact CB-CG 4.48Å; L180-R298 VanDerWaalsContact O-CB 3.28Å; L180-R298 WeakPolarHBondContact O-CB 3.43Å; L180-R298 PolarHBondContact O-N 3.39Å; V181-R298 PolarHBondContact O-NE 3.04Å; V181-R298 PolarHBondContact O-NH2 3.41Å; D182-R298 VanDerWaalsContact OD1-CD 3.27Å; D182-R298 WeakPolarHBondContact OD1-CD 3.26Å; D182-R298 IonicContact OD1-NE 3.18Å; D182-R298 PolarHBondContact OD1-NE 3Å; D182-R298 VanDerWaalsContact OD1-NE 3.16Å; A194-R298 VanDerWaalsContact N-NH2 3.18Å; A194-R298 PolarHBondContact O-NH2 2.98Å; E280-R298 IonicContact OE1-CZ 2.69Å; E280-R298 IonicContact OE1-NH1 2.86Å; E280-R298 PolarHBondContact OE1-NH1 2.82Å; E280-R298 IonicContact OE1-NH2 2.83Å; E280-R298 PolarHBondContact OE1-NH2 2.92Å; R298-R300 PolarHBondContact O-N 3.05Å; R298-R300 PolarHBondContact O-NE 2.8Å; R298-R300 PolarHBondContact O-NH2 3.04Å; R298-L382 HydrophobicContact CB-CD1 4.4Å; R298-Q388 PolarHBondContact NH1-O 3.24Å; R298-Q388 VanDerWaalsContact NH1-O 3.12Å; R298-F389 WeakPolarHBondContact CD-O 3.26Å; R298-F389 HydrophobicContact CG-CB 3.57Å; R298-F389 HydrophobicContact CG-CG 4.35Å; R298-F389 PolarHBondContact NH1-O 2.87Å
299	A	94.7	Very high	92.5	Very high	3 Å²	3	56.4 Å²	56.4	3%	0.025	27%	0.266	C	S	.	.	P	Polyproline II helix	trans	-61	126.5	174.8	0	0	0	0	0	110.9	D182 P297 M315 Y372	D182-A299 VanDerWaalsContact OD2-CB 3.32Å; D182-A299 WeakPolarHBondContact OD2-CB 3.38Å; D182-A299 PolarHBondContact OD2-N 2.85Å; P297-A299 PolarHBondContact O-N 3.36Å; A299-M315 HydrophobicContact CB-CE 3.55Å; A299-Y372 HydrophobicContact CB-CD1 4.03Å; A299-Y372 HydrophobicContact CB-CG 4.37Å
300	R	92.4	Very high	92.8	Very high	62 Å²	62	54.8 Å²	54.8	23%	0.234	27%	0.265	C	S	.	.			trans	-136.8	-21.7	-174.6	71	-155.2	68.2	174.5	-2.4	113.2	R298 E375 R380 F389	R298-R300 PolarHBondContact O-N 3.05Å; R298-R300 PolarHBondContact O-NE 2.8Å; R298-R300 PolarHBondContact O-NH2 3.04Å; R300-E375 WeakPolarHBondContact CG-OE1 3.48Å; R300-R380 PolarHBondContact NH1-O 2.96Å; R300-F389 HydrophobicContact CB-CD1 3.9Å; R300-F389 HydrophobicContact CB-CE1 4.02Å
301	T	93.1	Very high	93	Very high	52 Å²	52	55.8 Å²	55.8	32%	0.319	28%	0.28	S	S	.	.			trans	-96	104.1	-172.4	-46.4	0	0	0	0	109.5	Y372 Q373 E375	T301-Y372 WeakPolarHBondContact O-CA 3.38Å; T301-Q373 HydrophobicContact CG2-CB 4.38Å; T301-Q373 PolarHBondContact O-N 3.27Å; T301-E375 WeakPolarHBondContact CB-OE1 3.39Å; T301-E375 PolarHBondContact N-OE1 2.98Å; T301-E375 PolarHBondContact OG1-OE1 2.97Å
302	L	94.2	Very high	93.3	Very high	84 Å²	84	51.7 Å²	51.7	44%	0.44	27%	0.269	S	S	.	.	B	Isolated β-bridge	trans	-75.4	129.3	169.3	-77.6	170.6	0	0	0	109.8	I371 Y372	L302-I371 WeakPolarHBondContact CA-O 3.48Å; L302-Y372 HydrophobicContact CD2-CD1 4.01Å; L302-Y372 HydrophobicContact CD2-CD2 3.82Å; L302-Y372 HydrophobicContact CD2-CE1 3.78Å; L302-Y372 HydrophobicContact CD2-CE2 3.57Å; L302-Y372 HydrophobicContact CD2-CG 4.04Å; L302-Y372 HydrophobicContact CG-CD1 4.31Å; L302-Y372 HydrophobicContact CG-CE1 3.91Å
303	L	94.6	Very high	93.7	Very high	21 Å²	21	55.9 Å²	55.9	11%	0.11	29%	0.286	C	S	.	.	P	Polyproline II helix	trans	-89.1	125.1	176.4	-66.9	173.7	0	0	0	109.8	Q307 L308 L312 V314 I371 Q373	L303-Q307 HydrophobicContact CD2-CB 4.41Å; L303-L308 HydrophobicContact CB-CD2 3.93Å; L303-L308 HydrophobicContact CD1-CD2 4.34Å; L303-L312 HydrophobicContact CD1-CD2 4.2Å; L303-V314 HydrophobicContact CD1-CG1 3.57Å; L303-I371 PolarHBondContact N-O 3.13Å; L303-Q373 HydrophobicContact CD1-CB 4.16Å; L303-Q373 HydrophobicContact CD2-CB 4.15Å; L303-Q373 HydrophobicContact CG-CB 4.05Å
304	R	93.6	Very high	94.1	Very high	155 Å²	155	51.6 Å²	51.6	59%	0.585	26%	0.26	S	S	*	.	P	Polyproline II helix	trans	-73.6	157.4	171.2	-55.3	-165.4	-50.3	-127.2	-1.5	110.6	D306 Q307	R304-D306 WeakPolarHBondContact CB-OD1 3.25Å; R304-D306 IonicContact CZ-OD1 3.24Å; R304-D306 IonicContact CZ-OD2 2.73Å; R304-D306 IonicContact NE-OD1 2.67Å; R304-D306 PolarHBondContact NE-OD1 2.97Å; R304-D306 IonicContact NE-OD2 3.18Å; R304-D306 PolarHBondContact NE-OD2 2.99Å; R304-D306 IonicContact NH2-OD1 2.7Å; R304-D306 IonicContact NH2-OD2 2.79Å; R304-D306 PolarHBondContact NH2-OD2 3.47Å; R304-D306 PolarHBondContact O-N 2.83Å; R304-D306 VanDerWaalsContact O-N 3.13Å; R304-Q307 HydrophobicContact CB-CG 4.31Å; R304-Q307 WeakPolarHBondContact O-CA 3.41Å; R304-Q307 WeakPolarHBondContact O-CB 3.49Å; R304-Q307 PolarHBondContact O-N 2.86Å
305	W	91.5	Very high	94.3	Very high	34 Å²	34	51.4 Å²	51.4	13%	0.129	26%	0.259	C	S	.	.	G	3₁₀ helix	trans	-53.6	-33.5	177.4	-170	-96.3	0	0	0	114.5	Q307 L308 I337 Q339 K345 L347 L368	W305-Q307 PolarHBondContact O-N 3.3Å; W305-L308 HydrophobicContact CD2-CD1 4.29Å; W305-L308 HydrophobicContact CE3-CD1 3.67Å; W305-L308 HydrophobicContact CZ3-CD1 4.07Å; W305-L308 PolarHBondContact O-N 3Å; W305-I337 HydrophobicContact CH2-CG2 3.91Å; W305-I337 HydrophobicContact CZ2-CG2 3.46Å; W305-I337 VanDerWaalsContact CZ2-CG2 3.46Å; W305-Q339 HydrophobicContact CZ2-CB 4.3Å; W305-K345 VanDerWaalsContact CB-NZ 3.29Å; W305-K345 HydrophobicContact CD2-CD 3.64Å; W305-K345 HydrophobicContact CD2-CG 4.31Å; W305-K345 HydrophobicContact CE3-CD 3.94Å; W305-K345 HydrophobicContact CG-CD 4.07Å; W305-K345 HydrophobicContact CH2-CB 3.73Å; W305-K345 HydrophobicContact CH2-CD 4.33Å; W305-K345 HydrophobicContact CH2-CG 4.21Å; W305-K345 HydrophobicContact CZ2-CB 3.76Å; W305-K345 HydrophobicContact CZ2-CD 4.04Å; W305-K345 HydrophobicContact CZ2-CG 3.78Å; W305-K345 HydrophobicContact CZ3-CB 4.19Å; W305-K345 HydrophobicContact CZ3-CD 4.28Å; W305-L347 HydrophobicContact CH2-CB 4.19Å; W305-L347 HydrophobicContact CZ3-CB 4.09Å; W305-L368 HydrophobicContact CH2-CD1 4.34Å; W305-L368 HydrophobicContact CZ3-CB 4.46Å; W305-L368 HydrophobicContact CZ3-CD1 3.88Å; W305-L368 HydrophobicContact CZ3-CD2 4.15Å; W305-L368 HydrophobicContact CZ3-CG 4.39Å
306	D	91.7	Very high	94.4	Very high	107 Å²	107	51.2 Å²	51.2	57%	0.572	26%	0.258	S	S	*	.	G	3₁₀ helix	trans	-74.1	-5.8	176.5	60.4	-68	0	0	0	114.4	R304	R304-D306 WeakPolarHBondContact CB-OD1 3.25Å; R304-D306 IonicContact CZ-OD1 3.24Å; R304-D306 IonicContact CZ-OD2 2.73Å; R304-D306 IonicContact NE-OD1 2.67Å; R304-D306 PolarHBondContact NE-OD1 2.97Å; R304-D306 IonicContact NE-OD2 3.18Å; R304-D306 PolarHBondContact NE-OD2 2.99Å; R304-D306 IonicContact NH2-OD1 2.7Å; R304-D306 IonicContact NH2-OD2 2.79Å; R304-D306 PolarHBondContact NH2-OD2 3.47Å; R304-D306 PolarHBondContact O-N 2.83Å; R304-D306 VanDerWaalsContact O-N 3.13Å
307	Q	93.1	Very high	94.4	Very high	85 Å²	85	50.7 Å²	50.7	40%	0.397	26%	0.256	S	S	.	.	G	3₁₀ helix	trans	-106.3	-6.8	179.1	-54.2	176.8	-75.4	0	0	112.6	L303 R304 W305	L303-Q307 HydrophobicContact CD2-CB 4.41Å; R304-Q307 HydrophobicContact CB-CG 4.31Å; R304-Q307 WeakPolarHBondContact O-CA 3.41Å; R304-Q307 WeakPolarHBondContact O-CB 3.49Å; R304-Q307 PolarHBondContact O-N 2.86Å; W305-Q307 PolarHBondContact O-N 3.3Å
308	L	94.9	Very high	94.2	Very high	13 Å²	13	51.8 Å²	51.8	7%	0.068	26%	0.26	C	S	.	.			trans	-80.3	138.1	179.2	-55.2	-179.2	0	0	0	110.7	L303 W305 I334 I337 L347 I371	L303-L308 HydrophobicContact CB-CD2 3.93Å; L303-L308 HydrophobicContact CD1-CD2 4.34Å; W305-L308 HydrophobicContact CD2-CD1 4.29Å; W305-L308 HydrophobicContact CE3-CD1 3.67Å; W305-L308 HydrophobicContact CZ3-CD1 4.07Å; W305-L308 PolarHBondContact O-N 3Å; L308-I334 HydrophobicContact CB-CD1 4.08Å; L308-I334 HydrophobicContact CD2-CD1 4.04Å; L308-I334 HydrophobicContact CG-CD1 4.49Å; L308-I337 VanDerWaalsContact C-CD1 3.45Å; L308-I337 HydrophobicContact CB-CD1 3.78Å; L308-I337 WeakPolarHBondContact O-CD1 3.26Å; L308-L347 HydrophobicContact CD1-CD1 4.38Å; L308-L347 HydrophobicContact CD1-CD2 4.26Å; L308-I371 HydrophobicContact CD1-CD1 3.64Å; L308-I371 HydrophobicContact CD2-CD1 4.34Å; L308-I371 HydrophobicContact CD2-CG2 3.99Å
309	Q	94.8	Very high	93.6	Very high	136 Å²	136	53 Å²	53	64%	0.636	27%	0.267	S	S	*	.			trans	-141	151.2	178.2	-59.7	-176.4	17	0	0	109.8	L312 I334	Q309-L312 WeakPolarHBondContact O-CB 3.27Å; Q309-L312 PolarHBondContact O-N 3.13Å; Q309-L312 VanDerWaalsContact O-N 3.15Å; Q309-I334 WeakPolarHBondContact O-CB 3.41Å
310	V	95.8	Very high	92.7	Very high	95 Å²	95	56.4 Å²	56.4	58%	0.576	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.1	138.5	173.8	175.2	0	0	0	0	109.4	L312 I334 V335 I337	V310-L312 VanDerWaalsContact C-N 3.27Å; V310-I334 CarbonylContact C-O 3.6Å; V310-I334 WeakPolarHBondContact CA-O 3.23Å; V310-V335 WeakPolarHBondContact CG1-O 3.36Å; V310-I337 HydrophobicContact CG2-CD1 4.5Å; V310-I337 HydrophobicContact CG2-CG1 4.34Å
311	G	93.3	Very high	91.7	Very high	41 Å²	41	61.9 Å²	61.9	42%	0.423	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.6	-1.4	-170.4	0	0	0	0	0	114.7	I334	G311-I334 PolarHBondContact N-O 3.21Å
312	L	94.8	Very high	90.9	Very high	61 Å²	61	62.6 Å²	62.6	32%	0.319	32%	0.315	S	S	.	.			trans	-76.8	127.8	174.1	-174.4	66.7	0	0	0	110.2	L303 Q309 V310 V314 I334	L303-L312 HydrophobicContact CD1-CD2 4.2Å; Q309-L312 WeakPolarHBondContact O-CB 3.27Å; Q309-L312 PolarHBondContact O-N 3.13Å; Q309-L312 VanDerWaalsContact O-N 3.15Å; V310-L312 VanDerWaalsContact C-N 3.27Å; L312-V314 HydrophobicContact CD2-CG1 3.87Å; L312-V314 HydrophobicContact CG-CG1 3.93Å; L312-I334 HydrophobicContact CB-CD1 4.34Å; L312-I334 PolarHBondContact O-N 3.32Å
313	Q	95.4	Very high	90.3	Very high	113 Å²	113	61 Å²	61	53%	0.528	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	126.3	169.3	-71.9	-179.1	-14.5	0	0	110.8	A332 E333 L352	Q313-A332 WeakPolarHBondContact CA-O 2.95Å; Q313-E333 HydrophobicContact CG-CB 4.41Å; Q313-L352 HydrophobicContact CG-CD1 4.39Å
314	V	96.9	Very high	89.5	Confident	0 Å²	0	66.1 Å²	66.1	0%	0	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	161.7	-176.3	-65.7	0	0	0	0	109.8	L303 L312 V316 D331 A332 I334 I371	L303-V314 HydrophobicContact CD1-CG1 3.57Å; L312-V314 HydrophobicContact CD2-CG1 3.87Å; L312-V314 HydrophobicContact CG-CG1 3.93Å; V314-V316 HydrophobicContact CG2-CG1 3.85Å; V314-D331 CarbonylContact O-C 3.57Å; V314-D331 WeakPolarHBondContact O-CA 3.23Å; V314-A332 PolarHBondContact N-O 3.35Å; V314-A332 PolarHBondContact O-N 2.73Å; V314-I334 HydrophobicContact CG1-CD1 3.98Å; V314-I334 HydrophobicContact CG2-CD1 4.01Å; V314-I334 HydrophobicContact CG2-CG1 3.86Å; V314-I371 HydrophobicContact CB-CG2 3.85Å; V314-I371 HydrophobicContact CG1-CG2 4.1Å; V314-I371 HydrophobicContact CG2-CG2 4.08Å
315	M	96.8	Very high	88.8	Confident	0 Å²	0	62.5 Å²	62.5	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	127.8	168.6	-174.1	-176	68.7	0	0	109.7	W191 R296 A299 W329 Y330 Y372 V374	W191-M315 HydrophobicContact CB-SD 4.1Å; R296-M315 PolarHBondContact NH2-SD 2.65Å; A299-M315 HydrophobicContact CB-CE 3.55Å; M315-W329 HydrophobicContact CE-CE3 4.18Å; M315-W329 HydrophobicContact CG-CB 4.26Å; M315-W329 HydrophobicContact CG-CE3 4.44Å; M315-W329 HydrophobicContact SD-CB 3.99Å; M315-Y330 CarbonylContact C-O 3.43Å; M315-Y330 VanDerWaalsContact CA-O 3.26Å; M315-Y330 WeakPolarHBondContact CA-O 3.29Å; M315-Y330 WeakPolarHBondContact CG-O 3.45Å; M315-Y372 HydrophobicContact CE-CD2 4.09Å; M315-Y372 HydrophobicContact CE-CG 3.97Å; M315-Y372 PolarHBondContact N-O 2.87Å; M315-Y372 PolarHBondContact O-N 2.75Å; M315-V374 HydrophobicContact CB-CG2 4.46Å
316	V	95.8	Very high	88.4	Confident	0 Å²	0	61.5 Å²	61.5	0%	0	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	153.2	-175	-64.3	0	0	0	0	111.4	V314 W329 Y330 A332 V349 I351 V365 I371	V314-V316 HydrophobicContact CG2-CG1 3.85Å; V316-W329 WeakPolarHBondContact O-CA 3.38Å; V316-Y330 PolarHBondContact N-O 2.87Å; V316-Y330 PolarHBondContact O-N 2.73Å; V316-A332 HydrophobicContact CG2-CB 3.73Å; V316-V349 HydrophobicContact CG2-CG2 4.48Å; V316-I351 HydrophobicContact CG2-CD1 3.99Å; V316-V365 HydrophobicContact CB-CG1 4.36Å; V316-V365 HydrophobicContact CB-CG2 4.39Å; V316-V365 HydrophobicContact CG1-CG1 4.4Å; V316-V365 HydrophobicContact CG1-CG2 4.25Å; V316-V365 HydrophobicContact CG2-CG2 4.42Å; V316-I371 HydrophobicContact CG1-CG1 4.41Å; V316-I371 HydrophobicContact CG1-CG2 4.24Å
317	N	93.9	Very high	88	Confident	2 Å²	2	56.7 Å²	56.7	1%	0.011	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	125.8	165.3	-166.1	-86.7	0	0	0	109.8	R326 G327 F328 W329 F367	N317-R326 WeakPolarHBondContact OD1-CG 3.47Å; N317-G327 PolarHBondContact ND2-O 2.81Å; N317-G327 PolarHBondContact OD1-N 3.33Å; N317-F328 WeakPolarHBondContact CA-O 3.12Å; N317-W329 HydrophobicContact CB-CD2 4.26Å; N317-W329 HydrophobicContact CB-CE3 4Å; N317-W329 HydrophobicContact CB-CH2 3.72Å; N317-W329 HydrophobicContact CB-CZ2 3.97Å; N317-W329 HydrophobicContact CB-CZ3 3.74Å; N317-F367 HydrophobicContact CB-CD2 4.12Å
318	Y	90.4	Very high	87.7	Confident	24 Å²	24	56.7 Å²	56.7	9%	0.094	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	151	176.3	-167.9	-111.9	0	0	0	111.3	M320 P323 G327 F328 Y330 I351 C363 K364	Y318-M320 HydrophobicContact CD1-CG 4.32Å; Y318-P323 HydrophobicContact CE2-CB 3.99Å; Y318-G327 CarbonylContact O-C 3.43Å; Y318-G327 WeakPolarHBondContact O-CA 3.2Å; Y318-F328 PolarHBondContact N-O 3.49Å; Y318-F328 PolarHBondContact O-N 2.71Å; Y318-Y330 WeakPolarHBondContact O-CE2 3.12Å; Y318-I351 HydrophobicContact CD1-CD1 4.05Å; Y318-I351 HydrophobicContact CD1-CG1 3.94Å; Y318-I351 HydrophobicContact CE1-CG1 4.34Å; Y318-I351 HydrophobicContact CG-CD1 4.01Å; Y318-I351 HydrophobicContact CG-CG1 4.41Å; Y318-C363 HydrophobicContact CD2-CB 4.47Å; Y318-C363 HydrophobicContact CE1-CB 3.95Å; Y318-C363 HydrophobicContact CE2-CB 3.88Å; Y318-C363 PolarHBondContact OH-SG 2.94Å; Y318-K364 WeakPolarHBondContact CE2-O 3.4Å
319	N	83.5	Confident	87.7	Confident	26 Å²	26	56.1 Å²	56.1	14%	0.139	30%	0.295	C	S	.	.			trans	-122.5	113.9	178.3	-176.2	-32.7	0	0	0	108.8	E321 T322 P323 E325 R326	N319-E321 PolarHBondContact OD1-N 3.32Å; N319-E321 VanDerWaalsContact OD1-N 3.07Å; N319-T322 WeakPolarHBondContact CB-O 3.43Å; N319-T322 VanDerWaalsContact CG-OG1 3.29Å; N319-T322 PolarHBondContact ND2-OG1 2.81Å; N319-T322 CarbonylContact O-C 3.59Å; N319-T322 PolarHBondContact OD1-N 2.95Å; N319-T322 PolarHBondContact OD1-OG1 2.82Å; N319-P323 WeakPolarHBondContact O-CA 3.12Å; N319-E325 VanDerWaalsContact CB-O 3.26Å; N319-E325 WeakPolarHBondContact CB-O 3.15Å; N319-R326 PolarHBondContact ND2-O 2.96Å; N319-R326 VanDerWaalsContact ND2-O 3.15Å
320	M	77.2	Confident	87.7	Confident	74 Å²	74	50 Å²	50	37%	0.365	27%	0.266	S	S	.	.	S	Bend	trans	-73.2	-25.5	-174.7	-65.6	172.4	178.8	0	0	113.5	Y318 Y330 I351 L353 I360	Y318-M320 HydrophobicContact CD1-CG 4.32Å; M320-Y330 HydrophobicContact CE-CD1 3.85Å; M320-Y330 HydrophobicContact CE-CD2 4.33Å; M320-Y330 HydrophobicContact CE-CE1 3.29Å; M320-Y330 HydrophobicContact CE-CE2 3.82Å; M320-Y330 HydrophobicContact CE-CG 4.34Å; M320-Y330 HydrophobicContact SD-CE1 4.48Å; M320-I351 HydrophobicContact CE-CG2 4Å; M320-L353 HydrophobicContact CE-CD2 3.39Å; M320-I360 HydrophobicContact CE-CD1 3.78Å; M320-I360 HydrophobicContact CG-CD1 4.16Å; M320-I360 HydrophobicContact SD-CD1 3.92Å
321	E	69.9	Low	87.6	Confident	176 Å²	176	46.5 Å²	46.5	82%	0.822	24%	0.244	S	C	*	.	S	Bend	trans	-89.4	-33.5	179.4	-59.9	-172.1	168.5	0	0	112	N319	N319-E321 PolarHBondContact OD1-N 3.32Å; N319-E321 VanDerWaalsContact OD1-N 3.07Å
322	T	75.9	Confident	87.8	Confident	67 Å²	67	44.6 Å²	44.6	41%	0.411	22%	0.224	S	C	.	.			trans	-141.8	81.1	-175	34.2	0	0	0	0	111	N319 D324 E325	N319-T322 WeakPolarHBondContact CB-O 3.43Å; N319-T322 VanDerWaalsContact CG-OG1 3.29Å; N319-T322 PolarHBondContact ND2-OG1 2.81Å; N319-T322 CarbonylContact O-C 3.59Å; N319-T322 PolarHBondContact OD1-N 2.95Å; N319-T322 PolarHBondContact OD1-OG1 2.82Å; T322-D324 PolarHBondContact O-N 3.23Å; T322-E325 PolarHBondContact O-N 3.2Å
323	P	82.4	Confident	87.8	Confident	52 Å²	52	45.2 Å²	45.2	34%	0.338	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-5.2	-172.5	-28.7	37.6	0	0	0	117.8	Y318 N319 Q366	Y318-P323 HydrophobicContact CE2-CB 3.99Å; N319-P323 WeakPolarHBondContact O-CA 3.12Å; P323-Q366 WeakPolarHBondContact O-CG 3.48Å; P323-Q366 PolarHBondContact O-NE2 3.48Å
324	D	77.9	Confident	87.9	Confident	128 Å²	128	39.8 Å²	39.8	68%	0.684	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-98.2	-7.5	173.1	-66.4	-54.1	0	0	0	113.5	T322 Q366	T322-D324 PolarHBondContact O-N 3.23Å; D324-Q366 PolarHBondContact OD1-NE2 3.07Å
325	E	78.6	Confident	87.9	Confident	79 Å²	79	42.8 Å²	42.8	37%	0.369	22%	0.218	S	C	.	.	S	Bend	trans	-107	164	176.1	-59.9	-148.1	146.7	0	0	112.6	N319 T322 K398	N319-E325 VanDerWaalsContact CB-O 3.26Å; N319-E325 WeakPolarHBondContact CB-O 3.15Å; T322-E325 PolarHBondContact O-N 3.2Å; E325-K398 IonicContact OE1-NZ 3.74Å; E325-K398 PolarHBondContact OE1-NZ 2.82Å
326	R	82.8	Confident	87.8	Confident	13 Å²	13	44 Å²	44	5%	0.049	23%	0.228	C	C	.	.			trans	-68.5	139.2	176.4	-170.2	178.3	-75.8	-76.4	3.9	110.3	N317 N319 F367 E370 K392 G394 E396	N317-R326 WeakPolarHBondContact OD1-CG 3.47Å; N319-R326 PolarHBondContact ND2-O 2.96Å; N319-R326 VanDerWaalsContact ND2-O 3.15Å; R326-F367 HydrophobicContact CB-CE1 4.49Å; R326-F367 HydrophobicContact CB-CE2 4.11Å; R326-F367 HydrophobicContact CB-CZ 3.75Å; R326-F367 HydrophobicContact CG-CE2 4.45Å; R326-F367 HydrophobicContact CG-CZ 4.32Å; R326-E370 IonicContact CZ-OE1 2.82Å; R326-E370 IonicContact CZ-OE2 3.83Å; R326-E370 IonicContact NH1-OE1 2.7Å; R326-E370 IonicContact NH1-OE2 3.78Å; R326-E370 PolarHBondContact NH1-OE2 2.98Å; R326-E370 IonicContact NH2-OE1 3.39Å; R326-E370 PolarHBondContact NH2-OE1 3.38Å; R326-E370 IonicContact NH2-OE2 2.86Å; R326-E370 PolarHBondContact NH2-OE2 3.14Å; R326-K392 PolarHBondContact NH1-O 2.86Å; R326-K392 VanDerWaalsContact NH2-CD 3.32Å; R326-G394 WeakPolarHBondContact CD-O 3.48Å; R326-E396 IonicContact CZ-OE1 3.01Å; R326-E396 IonicContact NE-OE1 3.58Å; R326-E396 PolarHBondContact NE-OE1 2.81Å; R326-E396 IonicContact NH2-OE1 3.31Å; R326-E396 PolarHBondContact NH2-OE1 2.97Å
327	G	83.6	Confident	87.8	Confident	5 Å²	5	46.4 Å²	46.4	5%	0.052	24%	0.241	C	C	.	.			trans	-134.1	-136.5	-180	0	0	0	0	0	112.4	N317 Y318	N317-G327 PolarHBondContact ND2-O 2.81Å; N317-G327 PolarHBondContact OD1-N 3.33Å; Y318-G327 CarbonylContact O-C 3.43Å; Y318-G327 WeakPolarHBondContact O-CA 3.2Å
328	F	88.1	Confident	87.7	Confident	86 Å²	86	49.7 Å²	49.7	38%	0.377	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	171.4	-177.7	-56.5	-74.6	0	0	0	112.1	A190 F192 N317 Y318 Y330	A190-F328 HydrophobicContact CB-CB 3.77Å; A190-F328 HydrophobicContact CB-CG 4.46Å; F192-F328 AromaticContact CE1-CD1 3.74Å; F192-F328 HydrophobicContact CE1-CD1 3.74Å; F192-F328 HydrophobicContact CE1-CE1 4.12Å; F192-F328 AromaticContact CZ-CD1 3.74Å; F192-F328 HydrophobicContact CZ-CD1 3.74Å; F192-F328 HydrophobicContact CZ-CE1 4.15Å; F192-F328 HydrophobicContact CZ-CG 4.42Å; N317-F328 WeakPolarHBondContact CA-O 3.12Å; Y318-F328 PolarHBondContact N-O 3.49Å; Y318-F328 PolarHBondContact O-N 2.71Å; F328-Y330 HydrophobicContact CB-CD2 4.49Å; F328-Y330 HydrophobicContact CB-CE2 3.7Å; F328-Y330 WeakPolarHBondContact O-CD2 3.27Å
329	W	93.6	Very high	87.7	Confident	1 Å²	1	53.4 Å²	53.4	0%	0.004	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	117.5	-177.9	-63.9	97.5	0	0	0	110.9	A190 W191 M315 V316 N317 E370 Y372 R391 K392 S393	A190-W329 CarbonylContact C-O 3.58Å; A190-W329 VanDerWaalsContact CA-O 3.25Å; A190-W329 WeakPolarHBondContact CA-O 3.3Å; W191-W329 PolarHBondContact N-O 3Å; M315-W329 HydrophobicContact CE-CE3 4.18Å; M315-W329 HydrophobicContact CG-CB 4.26Å; M315-W329 HydrophobicContact CG-CE3 4.44Å; M315-W329 HydrophobicContact SD-CB 3.99Å; V316-W329 WeakPolarHBondContact O-CA 3.38Å; N317-W329 HydrophobicContact CB-CD2 4.26Å; N317-W329 HydrophobicContact CB-CE3 4Å; N317-W329 HydrophobicContact CB-CH2 3.72Å; N317-W329 HydrophobicContact CB-CZ2 3.97Å; N317-W329 HydrophobicContact CB-CZ3 3.74Å; W329-E370 HydrophobicContact CH2-CB 4.09Å; W329-E370 WeakPolarHBondContact CZ3-O 3.41Å; W329-Y372 HydrophobicContact CE3-CD2 4.36Å; W329-Y372 HydrophobicContact CH2-CD2 4.28Å; W329-Y372 AromaticContact CH2-CE2 3.93Å; W329-Y372 HydrophobicContact CH2-CE2 3.93Å; W329-Y372 AromaticContact CZ3-CD2 3.76Å; W329-Y372 HydrophobicContact CZ3-CD2 3.76Å; W329-Y372 AromaticContact CZ3-CE2 3.89Å; W329-Y372 HydrophobicContact CZ3-CE2 3.89Å; W329-R391 HydrophobicContact CD2-CB 4.43Å; W329-R391 HydrophobicContact CH2-CB 4.44Å; W329-R391 HydrophobicContact CZ2-CB 3.62Å; W329-R391 HydrophobicContact CZ2-CG 4.3Å; W329-K392 VanDerWaalsContact CZ2-O 3.31Å; W329-K392 WeakPolarHBondContact CZ2-O 3.26Å; W329-K392 PolarHBondContact NE1-O 3.03Å; W329-S393 PolarHBondContact NE1-OG 3.02Å; W329-S393 VanDerWaalsContact NE1-OG 3.12Å
330	Y	94.3	Very high	87.7	Confident	7 Å²	7	57.7 Å²	57.7	3%	0.027	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	150.9	-177.9	-63.3	-81.9	0	0	0	111.2	I188 A190 M315 V316 Y318 M320 F328 I351 L353	I188-Y330 WeakPolarHBondContact O-CE1 3.42Å; A190-Y330 HydrophobicContact CB-CD1 4.12Å; A190-Y330 HydrophobicContact CB-CE1 3.64Å; M315-Y330 CarbonylContact C-O 3.43Å; M315-Y330 VanDerWaalsContact CA-O 3.26Å; M315-Y330 WeakPolarHBondContact CA-O 3.29Å; M315-Y330 WeakPolarHBondContact CG-O 3.45Å; V316-Y330 PolarHBondContact N-O 2.87Å; V316-Y330 PolarHBondContact O-N 2.73Å; Y318-Y330 WeakPolarHBondContact O-CE2 3.12Å; M320-Y330 HydrophobicContact CE-CD1 3.85Å; M320-Y330 HydrophobicContact CE-CD2 4.33Å; M320-Y330 HydrophobicContact CE-CE1 3.29Å; M320-Y330 HydrophobicContact CE-CE2 3.82Å; M320-Y330 HydrophobicContact CE-CG 4.34Å; M320-Y330 HydrophobicContact SD-CE1 4.48Å; F328-Y330 HydrophobicContact CB-CD2 4.49Å; F328-Y330 HydrophobicContact CB-CE2 3.7Å; F328-Y330 WeakPolarHBondContact O-CD2 3.27Å; Y330-I351 HydrophobicContact CD1-CG2 4.05Å; Y330-I351 HydrophobicContact CD2-CG2 4.45Å; Y330-I351 HydrophobicContact CG-CG2 3.81Å; Y330-L353 HydrophobicContact CD1-CD2 4.3Å; Y330-L353 HydrophobicContact CE1-CD2 4.33Å
331	D	95.5	Very high	88	Confident	22 Å²	22	56.6 Å²	56.6	12%	0.118	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	142.8	161.5	-68.8	-23.7	0	0	0	109.6	W191 R296 V314 L352	W191-D331 PolarHBondContact NE1-OD1 2.79Å; W191-D331 PolarHBondContact NE1-OD2 2.67Å; R296-D331 IonicContact CZ-OD1 3.9Å; R296-D331 IonicContact CZ-OD2 3.63Å; R296-D331 IonicContact NH1-OD1 2.75Å; R296-D331 PolarHBondContact NH1-OD1 3.16Å; R296-D331 IonicContact NH1-OD2 2.77Å; R296-D331 PolarHBondContact NH1-OD2 2.7Å; R296-D331 IonicContact NH2-OD1 3.59Å; R296-D331 PolarHBondContact NH2-OD1 2.77Å; R296-D331 IonicContact NH2-OD2 2.71Å; V314-D331 CarbonylContact O-C 3.57Å; V314-D331 WeakPolarHBondContact O-CA 3.23Å; D331-L352 HydrophobicContact CB-CB 4.33Å; D331-L352 HydrophobicContact CB-CD1 4.5Å; D331-L352 PolarHBondContact O-N 3.16Å
332	A	95.9	Very high	88.5	Confident	0 Å²	0	58.4 Å²	58.4	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	143.8	-179	0	0	0	0	0	111.6	Q313 V314 V316 V349 N350 I351	Q313-A332 WeakPolarHBondContact CA-O 2.95Å; V314-A332 PolarHBondContact N-O 3.35Å; V314-A332 PolarHBondContact O-N 2.73Å; V316-A332 HydrophobicContact CG2-CB 3.73Å; A332-V349 HydrophobicContact CB-CB 3.79Å; A332-V349 HydrophobicContact CB-CG1 4.4Å; A332-V349 HydrophobicContact CB-CG2 3.66Å; A332-N350 CarbonylContact C-O 3.49Å; A332-N350 WeakPolarHBondContact CA-O 3.47Å; A332-N350 WeakPolarHBondContact CB-O 3.24Å; A332-I351 HydrophobicContact CB-CD1 3.96Å
333	E	96.2	Very high	88.7	Confident	74 Å²	74	60.5 Å²	60.5	35%	0.346	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	128.8	171.7	-172.2	-179.9	153.2	0	0	110	Q313 V335 V349 N350	Q313-E333 HydrophobicContact CG-CB 4.41Å; E333-V335 PolarHBondContact O-N 2.67Å; E333-V349 CarbonylContact O-C 3.5Å; E333-V349 WeakPolarHBondContact O-CA 3.38Å; E333-V349 WeakPolarHBondContact O-CB 3.41Å; E333-N350 PolarHBondContact N-O 2.95Å; E333-N350 PolarHBondContact O-N 3.04Å
334	I	97.1	Very high	88.9	Confident	0 Å²	0	62.4 Å²	62.4	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	122.5	-179.4	-62	174.5	0	0	0	110.8	L308 Q309 V310 G311 L312 V314 I337 L347 V349	L308-I334 HydrophobicContact CB-CD1 4.08Å; L308-I334 HydrophobicContact CD2-CD1 4.04Å; L308-I334 HydrophobicContact CG-CD1 4.49Å; Q309-I334 WeakPolarHBondContact O-CB 3.41Å; V310-I334 CarbonylContact C-O 3.6Å; V310-I334 WeakPolarHBondContact CA-O 3.23Å; G311-I334 PolarHBondContact N-O 3.21Å; L312-I334 HydrophobicContact CB-CD1 4.34Å; L312-I334 PolarHBondContact O-N 3.32Å; V314-I334 HydrophobicContact CG1-CD1 3.98Å; V314-I334 HydrophobicContact CG2-CD1 4.01Å; V314-I334 HydrophobicContact CG2-CG1 3.86Å; I334-I337 HydrophobicContact CG2-CD1 3.92Å; I334-I337 HydrophobicContact CG2-CG1 3.54Å; I334-L347 HydrophobicContact CD1-CD1 4.16Å; I334-L347 HydrophobicContact CG1-CD1 4.18Å; I334-L347 HydrophobicContact CG2-CD1 3.59Å; I334-V349 HydrophobicContact CG1-CG1 4.12Å
335	V	96.3	Very high	89.6	Confident	62 Å²	62	59.3 Å²	59.3	38%	0.376	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	-41.3	-178.8	-177.9	0	0	0	0	111.9	V310 E333 R348 N350	V310-V335 WeakPolarHBondContact CG1-O 3.36Å; E333-V335 PolarHBondContact O-N 2.67Å; V335-R348 PolarHBondContact N-O 3.33Å; V335-N350 HydrophobicContact CG2-CB 4.18Å; V335-N350 WeakPolarHBondContact CG2-ND2 3.39Å; V335-N350 WeakPolarHBondContact CG2-OD1 3.44Å
336	A	95.2	Very high	90.3	Very high	26 Å²	26	57.7 Å²	57.7	22%	0.215	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	142.1	178.7	0	0	0	0	0	112.2	R348	A336-R348 HydrophobicContact CB-CB 4.25Å; A336-R348 PolarHBondContact N-O 2.92Å; A336-R348 VanDerWaalsContact N-O 3.17Å; A336-R348 PolarHBondContact O-N 3.37Å
337	I	95.3	Very high	91	Very high	50 Å²	50	57.1 Å²	57.1	26%	0.256	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	101.2	176.9	-53.3	173.5	0	0	0	107.5	W305 L308 V310 I334 L347	W305-I337 HydrophobicContact CH2-CG2 3.91Å; W305-I337 HydrophobicContact CZ2-CG2 3.46Å; W305-I337 VanDerWaalsContact CZ2-CG2 3.46Å; L308-I337 VanDerWaalsContact C-CD1 3.45Å; L308-I337 HydrophobicContact CB-CD1 3.78Å; L308-I337 WeakPolarHBondContact O-CD1 3.26Å; V310-I337 HydrophobicContact CG2-CD1 4.5Å; V310-I337 HydrophobicContact CG2-CG1 4.34Å; I334-I337 HydrophobicContact CG2-CD1 3.92Å; I334-I337 HydrophobicContact CG2-CG1 3.54Å; I337-L347 HydrophobicContact CG1-CD1 3.82Å
338	N	91.8	Very high	91.6	Very high	72 Å²	72	60.1 Å²	60.1	39%	0.385	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	125.9	179.8	-68.9	-24.3	0	0	0	109.3	K345 E346	N338-K345 CarbonylContact O-C 3.57Å; N338-K345 WeakPolarHBondContact O-CA 3.43Å; N338-E346 HydrophobicContact CB-CB 4.14Å; N338-E346 PolarHBondContact N-O 2.65Å; N338-E346 PolarHBondContact ND2-OE2 3.21Å; N338-E346 PolarHBondContact O-N 3.15Å
339	Q	90.4	Very high	92	Very high	101 Å²	101	56 Å²	56	47%	0.472	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	95.9	171.9	-174.5	174.2	0.3	0	0	110.9	W305 S341 K345	W305-Q339 HydrophobicContact CZ2-CB 4.3Å; Q339-S341 WeakPolarHBondContact CG-O 3.3Å; Q339-S341 PolarHBondContact NE2-O 2.84Å; Q339-K345 HydrophobicContact CG-CG 4Å
340	T	83.9	Confident	92.1	Very high	116 Å²	116	58.1 Å²	58.1	71%	0.712	30%	0.297	S	S	*	.	S	Bend	trans	-83.3	-20.9	179.5	-41.5	0	0	0	0	112.4	N344	T340-N344 PolarHBondContact N-O 2.78Å; T340-N344 VanDerWaalsContact N-O 3.1Å
341	S	83.4	Confident	92	Very high	51 Å²	51	57.8 Å²	57.8	36%	0.357	30%	0.295	S	S	.	.	S	Bend	trans	-155	-173	173.9	86.5	0	0	0	0	112.9	Q339 T343 N344	Q339-S341 WeakPolarHBondContact CG-O 3.3Å; Q339-S341 PolarHBondContact NE2-O 2.84Å; S341-T343 PolarHBondContact O-N 3.34Å; S341-T343 PolarHBondContact OG-N 2.63Å; S341-T343 VanDerWaalsContact OG-N 3.14Å; S341-T343 PolarHBondContact OG-OG1 3.47Å; S341-N344 PolarHBondContact N-O 2.98Å; S341-N344 PolarHBondContact OG-N 3.43Å
342	R	80.1	Confident	91.8	Very high	215 Å²	215	58.5 Å²	58.5	81%	0.811	30%	0.299	S	S	*	.	S	Bend	trans	-61.3	-29.9	172	-167.7	-178.3	69	80.5	-1.3	112.7
343	T	79.7	Confident	91.2	Very high	110 Å²	110	60.9 Å²	60.9	68%	0.675	31%	0.312	S	S	*	.	S	Bend	trans	-115	-24.9	-175.2	51.2	0	0	0	0	113.7	S341 K345	S341-T343 PolarHBondContact O-N 3.34Å; S341-T343 PolarHBondContact OG-N 2.63Å; S341-T343 VanDerWaalsContact OG-N 3.14Å; S341-T343 PolarHBondContact OG-OG1 3.47Å; T343-K345 PolarHBondContact O-N 3.49Å
344	N	86.9	Confident	89.9	Confident	92 Å²	92	59.4 Å²	59.4	49%	0.492	32%	0.316	S	S	.	.			trans	-90.2	106.8	175.6	-168.6	-3.2	0	0	0	109.7	T340 S341	T340-N344 PolarHBondContact N-O 2.78Å; T340-N344 VanDerWaalsContact N-O 3.1Å; S341-N344 PolarHBondContact N-O 2.98Å; S341-N344 PolarHBondContact OG-N 3.43Å
345	K	92.9	Very high	88.4	Confident	63 Å²	63	60.6 Å²	60.6	27%	0.274	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	138.9	-178	-72.2	176.7	172.3	-169.6	0	108.5	W305 N338 Q339 T343 L368	W305-K345 VanDerWaalsContact CB-NZ 3.29Å; W305-K345 HydrophobicContact CD2-CD 3.64Å; W305-K345 HydrophobicContact CD2-CG 4.31Å; W305-K345 HydrophobicContact CE3-CD 3.94Å; W305-K345 HydrophobicContact CG-CD 4.07Å; W305-K345 HydrophobicContact CH2-CB 3.73Å; W305-K345 HydrophobicContact CH2-CD 4.33Å; W305-K345 HydrophobicContact CH2-CG 4.21Å; W305-K345 HydrophobicContact CZ2-CB 3.76Å; W305-K345 HydrophobicContact CZ2-CD 4.04Å; W305-K345 HydrophobicContact CZ2-CG 3.78Å; W305-K345 HydrophobicContact CZ3-CB 4.19Å; W305-K345 HydrophobicContact CZ3-CD 4.28Å; N338-K345 CarbonylContact O-C 3.57Å; N338-K345 WeakPolarHBondContact O-CA 3.43Å; Q339-K345 HydrophobicContact CG-CG 4Å; T343-K345 PolarHBondContact O-N 3.49Å; K345-L368 HydrophobicContact CB-CD1 3.67Å
346	E	94.1	Very high	86.2	Confident	46 Å²	46	64 Å²	64	22%	0.215	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	132	173.9	173.9	-167.7	-149.7	0	0	108.5	N338 R348 K364	N338-E346 HydrophobicContact CB-CB 4.14Å; N338-E346 PolarHBondContact N-O 2.65Å; N338-E346 PolarHBondContact ND2-OE2 3.21Å; N338-E346 PolarHBondContact O-N 3.15Å; E346-R348 HydrophobicContact CG-CG 4.44Å; E346-R348 IonicContact OE1-CZ 2.67Å; E346-R348 VanDerWaalsContact OE1-CZ 3.26Å; E346-R348 IonicContact OE1-NE 2.65Å; E346-R348 PolarHBondContact OE1-NE 2.87Å; E346-R348 IonicContact OE1-NH2 3.04Å; E346-R348 PolarHBondContact OE1-NH2 3.09Å; E346-R348 IonicContact OE2-NE 2.95Å; E346-K364 HydrophobicContact CG-CG 4.46Å
347	L	95.8	Very high	84.4	Confident	0 Å²	0	71.5 Å²	71.5	0%	0	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	127.3	176.8	-178.6	68.8	0	0	0	108.4	W305 L308 I334 I337 V349 V365 L368 I371	W305-L347 HydrophobicContact CH2-CB 4.19Å; W305-L347 HydrophobicContact CZ3-CB 4.09Å; L308-L347 HydrophobicContact CD1-CD1 4.38Å; L308-L347 HydrophobicContact CD1-CD2 4.26Å; I334-L347 HydrophobicContact CD1-CD1 4.16Å; I334-L347 HydrophobicContact CG1-CD1 4.18Å; I334-L347 HydrophobicContact CG2-CD1 3.59Å; I337-L347 HydrophobicContact CG1-CD1 3.82Å; L347-V349 HydrophobicContact CD2-CG1 4.33Å; L347-V349 HydrophobicContact CG-CG1 4.07Å; L347-V365 HydrophobicContact CB-CB 4.32Å; L347-V365 HydrophobicContact CD2-CB 4.16Å; L347-V365 HydrophobicContact CD2-CG2 4.17Å; L347-V365 HydrophobicContact CG-CB 4.44Å; L347-V365 HydrophobicContact CG-CG2 4.37Å; L347-V365 PolarHBondContact O-N 3.06Å; L347-L368 HydrophobicContact CB-CD2 3.62Å; L347-L368 HydrophobicContact CD2-CD2 4.25Å; L347-I371 HydrophobicContact CD2-CD1 3.43Å; L347-I371 VanDerWaalsContact CD2-CD1 3.43Å; L347-I371 HydrophobicContact CD2-CG1 4.33Å
348	R	96.4	Very high	83.4	Confident	69 Å²	69	73 Å²	73	26%	0.26	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	136.2	175.4	-70.6	171.2	173.9	-99.7	-8.8	110.1	V335 A336 E346 D362 C363	V335-R348 PolarHBondContact N-O 3.33Å; A336-R348 HydrophobicContact CB-CB 4.25Å; A336-R348 PolarHBondContact N-O 2.92Å; A336-R348 VanDerWaalsContact N-O 3.17Å; A336-R348 PolarHBondContact O-N 3.37Å; E346-R348 HydrophobicContact CG-CG 4.44Å; E346-R348 IonicContact OE1-CZ 2.67Å; E346-R348 VanDerWaalsContact OE1-CZ 3.26Å; E346-R348 IonicContact OE1-NE 2.65Å; E346-R348 PolarHBondContact OE1-NE 2.87Å; E346-R348 IonicContact OE1-NH2 3.04Å; E346-R348 PolarHBondContact OE1-NH2 3.09Å; E346-R348 IonicContact OE2-NE 2.95Å; R348-D362 WeakPolarHBondContact CD-OD1 3.3Å; R348-D362 IonicContact CZ-OD1 2.69Å; R348-D362 IonicContact NE-OD1 3.65Å; R348-D362 IonicContact NH1-OD1 3.55Å; R348-D362 PolarHBondContact NH1-OD1 3.43Å; R348-D362 IonicContact NH1-OD2 3.29Å; R348-D362 PolarHBondContact NH1-OD2 3.44Å; R348-C363 WeakPolarHBondContact CA-O 3.46Å
349	V	96.7	Very high	83.1	Confident	0 Å²	0	72.6 Å²	72.6	0%	0	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	156.8	-173.3	-52.4	0	0	0	0	111.4	V316 A332 E333 I334 L347 I351 C363 V365	V316-V349 HydrophobicContact CG2-CG2 4.48Å; A332-V349 HydrophobicContact CB-CB 3.79Å; A332-V349 HydrophobicContact CB-CG1 4.4Å; A332-V349 HydrophobicContact CB-CG2 3.66Å; E333-V349 CarbonylContact O-C 3.5Å; E333-V349 WeakPolarHBondContact O-CA 3.38Å; E333-V349 WeakPolarHBondContact O-CB 3.41Å; I334-V349 HydrophobicContact CG1-CG1 4.12Å; L347-V349 HydrophobicContact CD2-CG1 4.33Å; L347-V349 HydrophobicContact CG-CG1 4.07Å; V349-I351 HydrophobicContact CG2-CD1 3.69Å; V349-I351 HydrophobicContact CG2-CG1 4.4Å; V349-C363 HydrophobicContact CG2-CB 4.15Å; V349-C363 PolarHBondContact N-O 2.83Å; V349-C363 WeakPolarHBondContact O-CB 3.34Å; V349-C363 PolarHBondContact O-N 3.12Å; V349-V365 HydrophobicContact CB-CG2 4.36Å; V349-V365 HydrophobicContact CG1-CG2 3.69Å; V349-V365 HydrophobicContact CG2-CG2 3.67Å
350	N	95.4	Very high	82.9	Confident	45 Å²	45	70.9 Å²	70.9	24%	0.241	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	117.5	164	-71	-17.1	0	0	0	108	A332 E333 V335 V359 I360 G361 D362	A332-N350 CarbonylContact C-O 3.49Å; A332-N350 WeakPolarHBondContact CA-O 3.47Å; A332-N350 WeakPolarHBondContact CB-O 3.24Å; E333-N350 PolarHBondContact N-O 2.95Å; E333-N350 PolarHBondContact O-N 3.04Å; V335-N350 HydrophobicContact CG2-CB 4.18Å; V335-N350 WeakPolarHBondContact CG2-ND2 3.39Å; V335-N350 WeakPolarHBondContact CG2-OD1 3.44Å; N350-V359 HydrophobicContact CB-CG1 3.78Å; N350-I360 CarbonylContact C-O 3.52Å; N350-I360 WeakPolarHBondContact CA-O 3.46Å; N350-G361 VanDerWaalsContact OD1-CA 3.27Å; N350-G361 WeakPolarHBondContact OD1-CA 3.48Å; N350-D362 PolarHBondContact OD1-N 3Å
351	I	94	Very high	83.2	Confident	0 Å²	0	67.5 Å²	67.5	0%	0	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	130.7	178.7	-56.1	-66	0	0	0	109.3	V316 Y318 M320 Y330 A332 V349 L353 V359 I360 C363	V316-I351 HydrophobicContact CG2-CD1 3.99Å; Y318-I351 HydrophobicContact CD1-CD1 4.05Å; Y318-I351 HydrophobicContact CD1-CG1 3.94Å; Y318-I351 HydrophobicContact CE1-CG1 4.34Å; Y318-I351 HydrophobicContact CG-CD1 4.01Å; Y318-I351 HydrophobicContact CG-CG1 4.41Å; M320-I351 HydrophobicContact CE-CG2 4Å; Y330-I351 HydrophobicContact CD1-CG2 4.05Å; Y330-I351 HydrophobicContact CD2-CG2 4.45Å; Y330-I351 HydrophobicContact CG-CG2 3.81Å; A332-I351 HydrophobicContact CB-CD1 3.96Å; V349-I351 HydrophobicContact CG2-CD1 3.69Å; V349-I351 HydrophobicContact CG2-CG1 4.4Å; I351-L353 HydrophobicContact CG2-CD2 3.98Å; I351-V359 CarbonylContact O-C 3.58Å; I351-V359 WeakPolarHBondContact O-CA 3.38Å; I351-I360 HydrophobicContact CB-CB 4.2Å; I351-I360 PolarHBondContact N-O 3.24Å; I351-I360 PolarHBondContact O-N 2.75Å; I351-C363 HydrophobicContact CD1-CB 4.3Å; I351-C363 HydrophobicContact CG1-CB 3.81Å
352	L	90.9	Very high	83.5	Confident	37 Å²	37	69.7 Å²	69.7	19%	0.194	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	113.4	-174.7	-51.6	176.7	0	0	0	110.1	Q313 D331 V359	Q313-L352 HydrophobicContact CG-CD1 4.39Å; D331-L352 HydrophobicContact CB-CB 4.33Å; D331-L352 HydrophobicContact CB-CD1 4.5Å; D331-L352 PolarHBondContact O-N 3.16Å; L352-V359 HydrophobicContact CD2-CG1 4.13Å; L352-V359 HydrophobicContact CD2-CG2 3.87Å
353	L	83.3	Confident	84.1	Confident	50 Å²	50	59.7 Å²	59.7	26%	0.262	34%	0.343	S	S	.	.			trans	-87.8	-22.2	-175.8	-49.4	-178.5	0	0	0	113.3	G189 M320 Y330 I351 D358 I360	G189-L353 WeakPolarHBondContact CA-O 3.33Å; M320-L353 HydrophobicContact CE-CD2 3.39Å; Y330-L353 HydrophobicContact CD1-CD2 4.3Å; Y330-L353 HydrophobicContact CE1-CD2 4.33Å; I351-L353 HydrophobicContact CG2-CD2 3.98Å; L353-D358 HydrophobicContact CB-CB 3.88Å; L353-D358 WeakPolarHBondContact CB-O 3.41Å; L353-D358 HydrophobicContact CD1-CB 4.4Å; L353-D358 HydrophobicContact CG-CB 4.43Å; L353-D358 WeakPolarHBondContact CG-O 3.28Å; L353-D358 PolarHBondContact N-O 2.79Å; L353-I360 HydrophobicContact CD1-CD1 4.43Å; L353-I360 HydrophobicContact CD1-CG1 4.34Å; L353-I360 HydrophobicContact CD2-CD1 4.46Å
354	G	69.2	Low	84.8	Confident	42 Å²	42	58 Å²	58	43%	0.433	33%	0.326	S	S	.	.	S	Bend	trans	135.9	-17.8	165.1	0	0	0	0	0	116.5	R184	R184-G354 VanDerWaalsContact NH1-CA 3.32Å
355	G	65.4	Low	85.1	Confident	25 Å²	25	53.8 Å²	53.8	26%	0.258	30%	0.304	S	S	.	.	S	Bend	trans	-94.3	166.7	166.9	0	0	0	0	0	112.7	E357 D358	G355-E357 VanDerWaalsContact C-N 3.29Å; G355-E357 PolarHBondContact O-N 3.07Å; G355-D358 WeakPolarHBondContact CA-OD2 3.49Å; G355-D358 PolarHBondContact N-OD2 3.22Å; G355-D358 PolarHBondContact O-N 3.17Å
356	P	50.6	Low	85.1	Confident	135 Å²	135	53.6 Å²	53.6	88%	0.877	30%	0.304	S	S	*	.	S	Bend	trans	-71.6	-16.2	-171.5	28.6	-35.7	0	0	0	114.9
357	E	55.5	Low	84.9	Confident	183 Å²	183	53.8 Å²	53.8	86%	0.855	30%	0.304	S	S	*	.	S	Bend	trans	-116	-1.6	173.9	-59.4	-164.3	155.1	0	0	112.8	G355 V359	G355-E357 VanDerWaalsContact C-N 3.29Å; G355-E357 PolarHBondContact O-N 3.07Å; E357-V359 VanDerWaalsContact C-N 3.3Å; E357-V359 PolarHBondContact O-N 3.14Å
358	D	75.9	Confident	84.6	Confident	80 Å²	80	55.4 Å²	55.4	43%	0.428	31%	0.312	S	S	.	.			trans	-85.6	69	-176.5	-55.1	-54.5	0	0	0	111	L353 G355	L353-D358 HydrophobicContact CB-CB 3.88Å; L353-D358 WeakPolarHBondContact CB-O 3.41Å; L353-D358 HydrophobicContact CD1-CB 4.4Å; L353-D358 HydrophobicContact CG-CB 4.43Å; L353-D358 WeakPolarHBondContact CG-O 3.28Å; L353-D358 PolarHBondContact N-O 2.79Å; G355-D358 WeakPolarHBondContact CA-OD2 3.49Å; G355-D358 PolarHBondContact N-OD2 3.22Å; G355-D358 PolarHBondContact O-N 3.17Å
359	V	85.6	Confident	84.2	Confident	65 Å²	65	59 Å²	59	39%	0.394	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	126.7	-173.8	-178.6	0	0	0	0	111.6	N350 I351 L352 E357	N350-V359 HydrophobicContact CB-CG1 3.78Å; I351-V359 CarbonylContact O-C 3.58Å; I351-V359 WeakPolarHBondContact O-CA 3.38Å; L352-V359 HydrophobicContact CD2-CG1 4.13Å; L352-V359 HydrophobicContact CD2-CG2 3.87Å; E357-V359 VanDerWaalsContact C-N 3.3Å; E357-V359 PolarHBondContact O-N 3.14Å
360	I	85.9	Confident	84	Confident	64 Å²	64	60.4 Å²	60.4	33%	0.328	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	112.7	172.3	-44.9	-177.1	0	0	0	109.1	M320 N350 I351 L353	M320-I360 HydrophobicContact CE-CD1 3.78Å; M320-I360 HydrophobicContact CG-CD1 4.16Å; M320-I360 HydrophobicContact SD-CD1 3.92Å; N350-I360 CarbonylContact C-O 3.52Å; N350-I360 WeakPolarHBondContact CA-O 3.46Å; I351-I360 HydrophobicContact CB-CB 4.2Å; I351-I360 PolarHBondContact N-O 3.24Å; I351-I360 PolarHBondContact O-N 2.75Å; L353-I360 HydrophobicContact CD1-CD1 4.43Å; L353-I360 HydrophobicContact CD1-CG1 4.34Å; L353-I360 HydrophobicContact CD2-CD1 4.46Å
361	G	90.2	Very high	84	Confident	45 Å²	45	58.2 Å²	58.2	46%	0.464	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	162.8	-174.8	0	0	0	0	0	115.6	N350 C363	N350-G361 VanDerWaalsContact OD1-CA 3.27Å; N350-G361 WeakPolarHBondContact OD1-CA 3.48Å; G361-C363 VanDerWaalsContact C-N 3.27Å; G361-C363 PolarHBondContact O-N 2.96Å; G361-C363 VanDerWaalsContact O-N 3.14Å; G361-C363 PolarHBondContact O-SG 3.26Å
362	D	88.9	Confident	84.1	Confident	98 Å²	98	59.8 Å²	59.8	52%	0.524	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	52.6	32.9	168.6	-163.1	38.3	0	0	0	116.1	R348 N350 K364	R348-D362 WeakPolarHBondContact CD-OD1 3.3Å; R348-D362 IonicContact CZ-OD1 2.69Å; R348-D362 IonicContact NE-OD1 3.65Å; R348-D362 IonicContact NH1-OD1 3.55Å; R348-D362 PolarHBondContact NH1-OD1 3.43Å; R348-D362 IonicContact NH1-OD2 3.29Å; R348-D362 PolarHBondContact NH1-OD2 3.44Å; N350-D362 PolarHBondContact OD1-N 3Å; D362-K364 PolarHBondContact O-N 3.46Å
363	C	93.1	Very high	84.3	Confident	4 Å²	4	61.8 Å²	61.8	3%	0.027	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	121.9	-179.4	-68.5	0	0	0	0	111.1	Y318 R348 V349 I351 G361	Y318-C363 HydrophobicContact CD2-CB 4.47Å; Y318-C363 HydrophobicContact CE1-CB 3.95Å; Y318-C363 HydrophobicContact CE2-CB 3.88Å; Y318-C363 PolarHBondContact OH-SG 2.94Å; R348-C363 WeakPolarHBondContact CA-O 3.46Å; V349-C363 HydrophobicContact CG2-CB 4.15Å; V349-C363 PolarHBondContact N-O 2.83Å; V349-C363 WeakPolarHBondContact O-CB 3.34Å; V349-C363 PolarHBondContact O-N 3.12Å; I351-C363 HydrophobicContact CD1-CB 4.3Å; I351-C363 HydrophobicContact CG1-CB 3.81Å; G361-C363 VanDerWaalsContact C-N 3.27Å; G361-C363 PolarHBondContact O-N 2.96Å; G361-C363 VanDerWaalsContact O-N 3.14Å; G361-C363 PolarHBondContact O-SG 3.26Å
364	K	94.6	Very high	84.8	Confident	76 Å²	76	60.8 Å²	60.8	33%	0.33	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	120.5	175.2	175.9	180	167.9	-107.4	0	110.8	Y318 E346 D362	Y318-K364 WeakPolarHBondContact CE2-O 3.4Å; E346-K364 HydrophobicContact CG-CG 4.46Å; D362-K364 PolarHBondContact O-N 3.46Å
365	V	93.5	Very high	86	Confident	3 Å²	3	59.6 Å²	59.6	2%	0.018	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	130.1	176.2	-175.5	0	0	0	0	110	V316 L347 V349 L368	V316-V365 HydrophobicContact CB-CG1 4.36Å; V316-V365 HydrophobicContact CB-CG2 4.39Å; V316-V365 HydrophobicContact CG1-CG1 4.4Å; V316-V365 HydrophobicContact CG1-CG2 4.25Å; V316-V365 HydrophobicContact CG2-CG2 4.42Å; L347-V365 HydrophobicContact CB-CB 4.32Å; L347-V365 HydrophobicContact CD2-CB 4.16Å; L347-V365 HydrophobicContact CD2-CG2 4.17Å; L347-V365 HydrophobicContact CG-CB 4.44Å; L347-V365 HydrophobicContact CG-CG2 4.37Å; L347-V365 PolarHBondContact O-N 3.06Å; V349-V365 HydrophobicContact CB-CG2 4.36Å; V349-V365 HydrophobicContact CG1-CG2 3.69Å; V349-V365 HydrophobicContact CG2-CG2 3.67Å; V365-L368 HydrophobicContact CB-CD2 4.17Å; V365-L368 HydrophobicContact CG1-CD2 4.18Å; V365-L368 VanDerWaalsContact O-CD2 3.31Å; V365-L368 WeakPolarHBondContact O-CD2 3.11Å
366	Q	91.3	Very high	87.1	Confident	59 Å²	59	65.9 Å²	65.9	28%	0.276	35%	0.346	S	S	.	.	S	Bend	trans	-92.4	-39.6	178	-48.7	-70.7	-1.7	0	0	112.1	P323 D324 L368	P323-Q366 WeakPolarHBondContact O-CG 3.48Å; P323-Q366 PolarHBondContact O-NE2 3.48Å; D324-Q366 PolarHBondContact OD1-NE2 3.07Å; Q366-L368 VanDerWaalsContact C-N 3.31Å; Q366-L368 PolarHBondContact O-N 3.39Å
367	F	89.9	Confident	88.9	Confident	50 Å²	50	63.1 Å²	63.1	22%	0.219	33%	0.328	C	S	.	.			trans	-87	63.2	-171.5	-57.4	-78	0	0	0	112.2	N317 R326 D369 E370	N317-F367 HydrophobicContact CB-CD2 4.12Å; R326-F367 HydrophobicContact CB-CE1 4.49Å; R326-F367 HydrophobicContact CB-CE2 4.11Å; R326-F367 HydrophobicContact CB-CZ 3.75Å; R326-F367 HydrophobicContact CG-CE2 4.45Å; R326-F367 HydrophobicContact CG-CZ 4.32Å; F367-D369 PolarHBondContact O-N 2.83Å; F367-D369 VanDerWaalsContact O-N 3.15Å; F367-E370 HydrophobicContact CB-CB 4.32Å; F367-E370 PolarHBondContact O-N 3.02Å
368	L	90.6	Very high	90.1	Very high	33 Å²	33	58.1 Å²	58.1	17%	0.173	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-17.3	-170.7	-56.5	-174.4	0	0	0	115.3	W305 K345 L347 V365 Q366 I371	W305-L368 HydrophobicContact CH2-CD1 4.34Å; W305-L368 HydrophobicContact CZ3-CB 4.46Å; W305-L368 HydrophobicContact CZ3-CD1 3.88Å; W305-L368 HydrophobicContact CZ3-CD2 4.15Å; W305-L368 HydrophobicContact CZ3-CG 4.39Å; K345-L368 HydrophobicContact CB-CD1 3.67Å; L347-L368 HydrophobicContact CB-CD2 3.62Å; L347-L368 HydrophobicContact CD2-CD2 4.25Å; V365-L368 HydrophobicContact CB-CD2 4.17Å; V365-L368 HydrophobicContact CG1-CD2 4.18Å; V365-L368 VanDerWaalsContact O-CD2 3.31Å; V365-L368 WeakPolarHBondContact O-CD2 3.11Å; Q366-L368 VanDerWaalsContact C-N 3.31Å; Q366-L368 PolarHBondContact O-N 3.39Å; L368-I371 WeakPolarHBondContact O-CD1 3.25Å
369	D	88.4	Confident	90.7	Very high	146 Å²	146	55.6 Å²	55.6	78%	0.781	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.1	-2.3	176	-61.1	-47.2	0	0	0	113.1	F367	F367-D369 PolarHBondContact O-N 2.83Å; F367-D369 VanDerWaalsContact O-N 3.15Å
370	E	91.4	Very high	90.9	Very high	28 Å²	28	60.5 Å²	60.5	13%	0.131	33%	0.327	C	S	.	.			trans	-121.3	32.1	-173.7	-56.7	-176.3	-164.9	0	0	112.5	R326 W329 F367 Y372 K392	R326-E370 IonicContact CZ-OE1 2.82Å; R326-E370 IonicContact CZ-OE2 3.83Å; R326-E370 IonicContact NH1-OE1 2.7Å; R326-E370 IonicContact NH1-OE2 3.78Å; R326-E370 PolarHBondContact NH1-OE2 2.98Å; R326-E370 IonicContact NH2-OE1 3.39Å; R326-E370 PolarHBondContact NH2-OE1 3.38Å; R326-E370 IonicContact NH2-OE2 2.86Å; R326-E370 PolarHBondContact NH2-OE2 3.14Å; W329-E370 HydrophobicContact CH2-CB 4.09Å; W329-E370 WeakPolarHBondContact CZ3-O 3.41Å; F367-E370 HydrophobicContact CB-CB 4.32Å; F367-E370 PolarHBondContact O-N 3.02Å; E370-Y372 WeakPolarHBondContact O-CD2 3.12Å; E370-K392 WeakPolarHBondContact OE1-CD 3.22Å; E370-K392 WeakPolarHBondContact OE1-CE 3.28Å; E370-K392 IonicContact OE1-NZ 3.5Å; E370-K392 PolarHBondContact OE1-NZ 2.9Å
371	I	95.4	Very high	91.1	Very high	0 Å²	0	59 Å²	59	0%	0	32%	0.321	C	S	.	.	P	Polyproline II helix	trans	-86.6	122	179	-57.6	163.1	0	0	0	109.3	L302 L303 L308 V314 V316 L347 L368	L302-I371 WeakPolarHBondContact CA-O 3.48Å; L303-I371 PolarHBondContact N-O 3.13Å; L308-I371 HydrophobicContact CD1-CD1 3.64Å; L308-I371 HydrophobicContact CD2-CD1 4.34Å; L308-I371 HydrophobicContact CD2-CG2 3.99Å; V314-I371 HydrophobicContact CB-CG2 3.85Å; V314-I371 HydrophobicContact CG1-CG2 4.1Å; V314-I371 HydrophobicContact CG2-CG2 4.08Å; V316-I371 HydrophobicContact CG1-CG1 4.41Å; V316-I371 HydrophobicContact CG1-CG2 4.24Å; L347-I371 HydrophobicContact CD2-CD1 3.43Å; L347-I371 VanDerWaalsContact CD2-CD1 3.43Å; L347-I371 HydrophobicContact CD2-CG1 4.33Å; L368-I371 WeakPolarHBondContact O-CD1 3.25Å
372	Y	96.4	Very high	91.2	Very high	32 Å²	32	57.3 Å²	57.3	13%	0.125	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	148	-178.1	-75.8	-91.7	0	0	0	112.5	A299 T301 L302 M315 W329 E370 R391	A299-Y372 HydrophobicContact CB-CD1 4.03Å; A299-Y372 HydrophobicContact CB-CG 4.37Å; T301-Y372 WeakPolarHBondContact O-CA 3.38Å; L302-Y372 HydrophobicContact CD2-CD1 4.01Å; L302-Y372 HydrophobicContact CD2-CD2 3.82Å; L302-Y372 HydrophobicContact CD2-CE1 3.78Å; L302-Y372 HydrophobicContact CD2-CE2 3.57Å; L302-Y372 HydrophobicContact CD2-CG 4.04Å; L302-Y372 HydrophobicContact CG-CD1 4.31Å; L302-Y372 HydrophobicContact CG-CE1 3.91Å; M315-Y372 HydrophobicContact CE-CD2 4.09Å; M315-Y372 HydrophobicContact CE-CG 3.97Å; M315-Y372 PolarHBondContact N-O 2.87Å; M315-Y372 PolarHBondContact O-N 2.75Å; W329-Y372 HydrophobicContact CE3-CD2 4.36Å; W329-Y372 HydrophobicContact CH2-CD2 4.28Å; W329-Y372 AromaticContact CH2-CE2 3.93Å; W329-Y372 HydrophobicContact CH2-CE2 3.93Å; W329-Y372 AromaticContact CZ3-CD2 3.76Å; W329-Y372 HydrophobicContact CZ3-CD2 3.76Å; W329-Y372 AromaticContact CZ3-CE2 3.89Å; W329-Y372 HydrophobicContact CZ3-CE2 3.89Å; E370-Y372 WeakPolarHBondContact O-CD2 3.12Å; Y372-R391 HydrophobicContact CE2-CG 4.02Å
373	Q	95.4	Very high	91.3	Very high	79 Å²	79	53 Å²	53	37%	0.369	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	138.7	164.4	-171.7	177.7	-29.4	0	0	110.2	T301 L303 E375	T301-Q373 HydrophobicContact CG2-CB 4.38Å; T301-Q373 PolarHBondContact O-N 3.27Å; L303-Q373 HydrophobicContact CD1-CB 4.16Å; L303-Q373 HydrophobicContact CD2-CB 4.15Å; L303-Q373 HydrophobicContact CG-CB 4.05Å; Q373-E375 PolarHBondContact O-N 3.41Å
374	V	93.8	Very high	91	Very high	29 Å²	29	56.1 Å²	56.1	18%	0.176	30%	0.301	C	S	.	.			trans	-72.1	106.3	166.6	174.6	0	0	0	0	108.9	M315	M315-V374 HydrophobicContact CB-CG2 4.46Å
375	E	93.7	Very high	90.5	Very high	18 Å²	18	56.2 Å²	56.2	8%	0.084	32%	0.316	C	S	.	.			trans	-69.2	139.6	176.2	-58.4	-65.5	168.3	0	0	110.6	P297 R300 T301 Q373	P297-E375 HydrophobicContact CB-CB 4.27Å; R300-E375 WeakPolarHBondContact CG-OE1 3.48Å; T301-E375 WeakPolarHBondContact CB-OE1 3.39Å; T301-E375 PolarHBondContact N-OE1 2.98Å; T301-E375 PolarHBondContact OG1-OE1 2.97Å; Q373-E375 PolarHBondContact O-N 3.41Å
376	K	89.4	Confident	90.1	Very high	157 Å²	157	58.8 Å²	58.8	68%	0.683	33%	0.33	S	S	*	.			trans	-106.5	153.3	-176.6	-64.2	-172.3	179.6	-175.4	0	111.6	G378 A379	K376-G378 PolarHBondContact O-N 2.76Å; K376-A379 WeakPolarHBondContact O-CB 3.49Å; K376-A379 PolarHBondContact O-N 2.77Å; K376-A379 VanDerWaalsContact O-N 3.15Å
377	P	87.3	Confident	89.7	Confident	77 Å²	77	57.3 Å²	57.3	50%	0.5	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.3	139.6	173.4	-23.9	32.2	0	0	0	111.8	L174	L174-P377 HydrophobicContact CD1-CB 4.12Å
378	G	81.3	Confident	88.9	Confident	78 Å²	78	61.5 Å²	61.5	80%	0.804	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	88.8	-2.6	-173.2	0	0	0	0	0	115.5	K376	K376-G378 PolarHBondContact O-N 2.76Å
379	A	88.1	Confident	88.6	Confident	26 Å²	26	63.1 Å²	63.1	22%	0.215	36%	0.357	C	S	.	.	S	Bend	trans	-58.1	158.6	162.6	0	0	0	0	0	111.2	P297 K376 P381	P297-A379 HydrophobicContact CB-CB 4.17Å; P297-A379 HydrophobicContact CG-CB 4.09Å; K376-A379 WeakPolarHBondContact O-CB 3.49Å; K376-A379 PolarHBondContact O-N 2.77Å; K376-A379 VanDerWaalsContact O-N 3.15Å; A379-P381 VanDerWaalsContact O-CD 3.25Å; A379-P381 WeakPolarHBondContact O-CD 3.29Å
380	R	89.9	Confident	88.3	Confident	169 Å²	169	60 Å²	60	64%	0.638	34%	0.336	S	S	*	.	P	Polyproline II helix	trans	-54.2	123.3	178.2	164.7	173.7	166.6	174.1	-4	110.4	R300 L382 D386	R300-R380 PolarHBondContact NH1-O 2.96Å; R380-L382 PolarHBondContact O-N 2.83Å; R380-D386 IonicContact CZ-OD1 3.69Å; R380-D386 IonicContact NE-OD1 2.77Å; R380-D386 IonicContact NH2-OD1 3.47Å; R380-D386 PolarHBondContact NH2-OD1 2.99Å
381	P	90.2	Very high	88.2	Confident	33 Å²	33	59.5 Å²	59.5	21%	0.214	33%	0.333	C	S	.	.	P	Polyproline II helix	trans	-55.8	136.6	168.3	-32.7	41.6	0	0	0	112	L167 K176 E179 A379	L167-P381 HydrophobicContact CD1-CB 3.74Å; K176-P381 HydrophobicContact CD-CB 4.31Å; K176-P381 HydrophobicContact CD-CG 4.17Å; E179-P381 VanDerWaalsContact CD-CB 3.46Å; E179-P381 HydrophobicContact CG-CB 4.02Å; E179-P381 WeakPolarHBondContact OE1-CA 3.47Å; E179-P381 WeakPolarHBondContact OE2-CB 3.4Å; A379-P381 VanDerWaalsContact O-CD 3.25Å; A379-P381 WeakPolarHBondContact O-CD 3.29Å
382	L	92.5	Very high	87.4	Confident	8 Å²	8	65 Å²	65	4%	0.042	36%	0.357	C	S	.	.			trans	-111.1	145.7	173.1	-67.2	176.2	0	0	0	109.6	E179 L180 R298 R380 D386 F389	E179-L382 CarbonylContact C-O 3.54Å; E179-L382 WeakPolarHBondContact CA-O 3.2Å; L180-L382 HydrophobicContact CB-CB 4.18Å; L180-L382 HydrophobicContact CD1-CB 4.38Å; L180-L382 HydrophobicContact CG-CB 4.48Å; L180-L382 PolarHBondContact N-O 3.5Å; R298-L382 HydrophobicContact CB-CD1 4.4Å; R380-L382 PolarHBondContact O-N 2.83Å; L382-D386 HydrophobicContact CD2-CB 3.75Å; L382-F389 HydrophobicContact CD1-CD1 4.07Å; L382-F389 HydrophobicContact CD1-CD2 3.85Å; L382-F389 HydrophobicContact CD1-CE1 3.94Å; L382-F389 HydrophobicContact CD1-CE2 3.7Å; L382-F389 HydrophobicContact CD1-CG 4.04Å; L382-F389 HydrophobicContact CD1-CZ 3.76Å; L382-F389 HydrophobicContact CD2-CE2 4.07Å; L382-F389 HydrophobicContact CD2-CZ 3.95Å; L382-F389 HydrophobicContact CG-CE2 4.32Å; L382-F389 HydrophobicContact CG-CZ 4.47Å
383	S	91.3	Very high	85.9	Confident	9 Å²	9	66.1 Å²	66.1	6%	0.063	37%	0.369	C	S	.	.			trans	-116.2	169.5	171.6	69.6	0	0	0	0	110.4	L180 A385 D386	L180-S383 WeakPolarHBondContact CD1-O 3.45Å; S383-A385 PolarHBondContact O-N 2.76Å; S383-A385 VanDerWaalsContact O-N 3.07Å; S383-A385 WeakPolarHBondContact OG-CB 3.04Å; S383-A385 PolarHBondContact OG-N 3.37Å; S383-A385 VanDerWaalsContact OG-N 3.17Å; S383-D386 WeakPolarHBondContact CB-OD2 3.27Å; S383-D386 PolarHBondContact N-OD2 3.2Å; S383-D386 WeakPolarHBondContact O-CB 3.13Å; S383-D386 PolarHBondContact O-N 3.08Å; S383-D386 PolarHBondContact OG-OD2 2.64Å
384	S	85.4	Confident	84	Confident	68 Å²	68	63.4 Å²	63.4	48%	0.476	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-16.3	168.2	51.5	0	0	0	0	114.2	R164	R164-S384 PolarHBondContact O-OG 3.02Å
385	A	84.9	Confident	81.9	Confident	79 Å²	79	66.6 Å²	66.6	65%	0.653	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.2	-15.6	173.9	0	0	0	0	0	113.9	S383	S383-A385 PolarHBondContact O-N 2.76Å; S383-A385 VanDerWaalsContact O-N 3.07Å; S383-A385 WeakPolarHBondContact OG-CB 3.04Å; S383-A385 PolarHBondContact OG-N 3.37Å; S383-A385 VanDerWaalsContact OG-N 3.17Å
386	D	85.6	Confident	80	Confident	56 Å²	56	69.5 Å²	69.5	30%	0.299	40%	0.398	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.5	-18.2	173.7	-62.1	-98.7	0	0	0	112.1	R380 L382 S383 F389	R380-D386 IonicContact CZ-OD1 3.69Å; R380-D386 IonicContact NE-OD1 2.77Å; R380-D386 IonicContact NH2-OD1 3.47Å; R380-D386 PolarHBondContact NH2-OD1 2.99Å; L382-D386 HydrophobicContact CD2-CB 3.75Å; S383-D386 WeakPolarHBondContact CB-OD2 3.27Å; S383-D386 PolarHBondContact N-OD2 3.2Å; S383-D386 WeakPolarHBondContact O-CB 3.13Å; S383-D386 PolarHBondContact O-N 3.08Å; S383-D386 PolarHBondContact OG-OD2 2.64Å; D386-F389 HydrophobicContact CB-CE2 3.83Å; D386-F389 HydrophobicContact CB-CZ 4.29Å; D386-F389 WeakPolarHBondContact O-CE2 3.42Å
387	G	82.3	Confident	78.2	Confident	29 Å²	29	63.2 Å²	63.2	30%	0.299	37%	0.373	S	S	.	.			trans	140.1	172.7	-175.7	0	0	0	0	0	111.9	L180 F389	L180-G387 WeakPolarHBondContact CD1-O 3.2Å; G387-F389 WeakPolarHBondContact O-CD2 3.3Å
388	Q	72.5	Confident	77	Confident	138 Å²	138	67.4 Å²	67.4	65%	0.645	38%	0.383	S	S	*	.			trans	-81.6	-30.5	175.4	-72.1	-172.3	2.2	0	0	113.5	R298 K390	R298-Q388 PolarHBondContact NH1-O 3.24Å; R298-Q388 VanDerWaalsContact NH1-O 3.12Å; Q388-K390 HydrophobicContact CB-CG 4.33Å; Q388-K390 PolarHBondContact O-N 2.81Å; Q388-K390 VanDerWaalsContact O-N 3.09Å
389	F	85.1	Confident	76.4	Confident	67 Å²	67	69.3 Å²	69.3	29%	0.294	37%	0.371	S	S	.	.			trans	47.8	37.7	-178.3	-59	-87.7	0	0	0	114.4	L180 R298 R300 L382 D386 G387	L180-F389 HydrophobicContact CD1-CD2 4Å; R298-F389 WeakPolarHBondContact CD-O 3.26Å; R298-F389 HydrophobicContact CG-CB 3.57Å; R298-F389 HydrophobicContact CG-CG 4.35Å; R298-F389 PolarHBondContact NH1-O 2.87Å; R300-F389 HydrophobicContact CB-CD1 3.9Å; R300-F389 HydrophobicContact CB-CE1 4.02Å; L382-F389 HydrophobicContact CD1-CD1 4.07Å; L382-F389 HydrophobicContact CD1-CD2 3.85Å; L382-F389 HydrophobicContact CD1-CE1 3.94Å; L382-F389 HydrophobicContact CD1-CE2 3.7Å; L382-F389 HydrophobicContact CD1-CG 4.04Å; L382-F389 HydrophobicContact CD1-CZ 3.76Å; L382-F389 HydrophobicContact CD2-CE2 4.07Å; L382-F389 HydrophobicContact CD2-CZ 3.95Å; L382-F389 HydrophobicContact CG-CE2 4.32Å; L382-F389 HydrophobicContact CG-CZ 4.47Å; D386-F389 HydrophobicContact CB-CE2 3.83Å; D386-F389 HydrophobicContact CB-CZ 4.29Å; D386-F389 WeakPolarHBondContact O-CE2 3.42Å; G387-F389 WeakPolarHBondContact O-CD2 3.3Å
390	K	82.3	Confident	75.4	Confident	79 Å²	79	68.9 Å²	68.9	34%	0.343	37%	0.366	S	S	.	.			trans	-82.4	144.9	173.6	-70.1	-170.3	174.8	-164.8	0	111.5	E280 D281 Q388	E280-K390 WeakPolarHBondContact OE2-CE 3.38Å; E280-K390 IonicContact OE2-NZ 3.95Å; D281-K390 IonicContact OD1-NZ 2.97Å; D281-K390 PolarHBondContact OD1-NZ 2.86Å; D281-K390 IonicContact OD2-NZ 3.91Å; Q388-K390 HydrophobicContact CB-CG 4.33Å; Q388-K390 PolarHBondContact O-N 2.81Å; Q388-K390 VanDerWaalsContact O-N 3.09Å
391	R	88.5	Confident	74.3	Confident	18 Å²	18	68.8 Å²	68.8	7%	0.068	37%	0.37	C	S	.	.			trans	-98.2	170.4	174	-60.5	174.1	-71.9	-96.4	1	110.2	D182 E193 W329 Y372	D182-R391 IonicContact OD1-CZ 3.96Å; D182-R391 VanDerWaalsContact OD1-CZ 3.24Å; D182-R391 IonicContact OD1-NH1 3.82Å; D182-R391 PolarHBondContact OD1-NH1 2.61Å; D182-R391 IonicContact OD1-NH2 2.64Å; D182-R391 PolarHBondContact OD1-NH2 2.81Å; D182-R391 IonicContact OD2-CZ 2.66Å; D182-R391 IonicContact OD2-NH1 3.61Å; D182-R391 PolarHBondContact OD2-NH1 3.02Å; D182-R391 IonicContact OD2-NH2 2.82Å; E193-R391 VanDerWaalsContact CD-CZ 3.43Å; E193-R391 VanDerWaalsContact OE1-CB 3.32Å; E193-R391 WeakPolarHBondContact OE1-CB 3.34Å; E193-R391 IonicContact OE1-CZ 3.66Å; E193-R391 PolarHBondContact OE1-N 2.84Å; E193-R391 IonicContact OE1-NE 2.7Å; E193-R391 PolarHBondContact OE1-NE 3.47Å; E193-R391 IonicContact OE1-NH2 3.26Å; E193-R391 IonicContact OE2-CZ 3.6Å; E193-R391 IonicContact OE2-NE 3.38Å; E193-R391 IonicContact OE2-NH2 2.82Å; E193-R391 PolarHBondContact OE2-NH2 3.29Å; W329-R391 HydrophobicContact CD2-CB 4.43Å; W329-R391 HydrophobicContact CH2-CB 4.44Å; W329-R391 HydrophobicContact CZ2-CB 3.62Å; W329-R391 HydrophobicContact CZ2-CG 4.3Å; Y372-R391 HydrophobicContact CE2-CG 4.02Å
392	K	79.1	Confident	72.7	Confident	117 Å²	117	70.1 Å²	70.1	51%	0.509	38%	0.384	S	S	.	.			trans	-84.7	112.7	173.7	-61.4	174.3	-165.3	166	0	109.4	R326 W329 E370	R326-K392 PolarHBondContact NH1-O 2.86Å; R326-K392 VanDerWaalsContact NH2-CD 3.32Å; W329-K392 VanDerWaalsContact CZ2-O 3.31Å; W329-K392 WeakPolarHBondContact CZ2-O 3.26Å; W329-K392 PolarHBondContact NE1-O 3.03Å; E370-K392 WeakPolarHBondContact OE1-CD 3.22Å; E370-K392 WeakPolarHBondContact OE1-CE 3.28Å; E370-K392 IonicContact OE1-NZ 3.5Å; E370-K392 PolarHBondContact OE1-NZ 2.9Å
393	S	64.4	Low	71.3	Confident	54 Å²	54	73.1 Å²	73.1	38%	0.378	40%	0.4	S	S	.	.			trans	-123.8	137.5	-171	-63.2	0	0	0	0	111.6	W329	W329-S393 PolarHBondContact NE1-OG 3.02Å; W329-S393 VanDerWaalsContact NE1-OG 3.12Å
394	G	56.5	Low	69.6	Low	22 Å²	22	77.3 Å²	77.3	23%	0.227	43%	0.427	C	S	.	.	S	Bend	trans	77.5	169.2	-178.4	0	0	0	0	0	115	R326 E396	R326-G394 WeakPolarHBondContact CD-O 3.48Å; G394-E396 PolarHBondContact O-N 2.89Å
395	P	49.4	Very low	68.9	Low	97 Å²	97	81.2 Å²	81.2	63%	0.63	44%	0.443	S	S	*	.			trans	-71	116.2	-177.8	27.7	-34.1	0	0	0	111.8	C397	P395-C397 PolarHBondContact O-N 2.83Å
396	E	53.7	Low	68.4	Low	79 Å²	79	79 Å²	79	37%	0.369	43%	0.425	S	S	.	.			trans	-57.8	126.1	179.8	-65.2	170.6	-148.5	0	0	111.1	R326 G394 K398 A402	R326-E396 IonicContact CZ-OE1 3.01Å; R326-E396 IonicContact NE-OE1 3.58Å; R326-E396 PolarHBondContact NE-OE1 2.81Å; R326-E396 IonicContact NH2-OE1 3.31Å; R326-E396 PolarHBondContact NH2-OE1 2.97Å; G394-E396 PolarHBondContact O-N 2.89Å; E396-K398 PolarHBondContact O-N 3.33Å; E396-A402 HydrophobicContact CB-CB 4.44Å; E396-A402 HydrophobicContact CG-CB 4.4Å
397	C	52.6	Low	68.3	Low	25 Å²	25	83.5 Å²	83.5	17%	0.169	44%	0.444	C	S	.	.			trans	-59.5	113.7	178.9	174.2	0	0	0	0	110.3	P395 H399 C400 K401 C411	P395-C397 PolarHBondContact O-N 2.83Å; C397-H399 PolarHBondContact O-N 2.88Å; C397-C400 PolarHBondContact O-N 2.79Å; C397-C400 VanDerWaalsContact O-N 3.1Å; C397-K401 WeakPolarHBondContact O-CA 3.31Å; C397-K401 PolarHBondContact O-N 3.21Å; C397-C411 HydrophobicContact CB-CB 3.95Å; C397-C411 VanDerWaalsContact SG-CB 3.57Å; C397-C411 VanDerWaalsContact SG-SG 3.68Å
398	K	62.3	Low	67.7	Low	164 Å²	164	82.4 Å²	82.4	71%	0.713	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-11	-173.3	-66.4	170.6	-179.2	167.8	0	114.7	E325 E396	E325-K398 IonicContact OE1-NZ 3.74Å; E325-K398 PolarHBondContact OE1-NZ 2.82Å; E396-K398 PolarHBondContact O-N 3.33Å
399	H	67.8	Low	67.9	Low	119 Å²	119	82.6 Å²	82.6	55%	0.551	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.2	-41.4	174.9	-62.4	-85.5	0	0	0	114.2	C397 F410	C397-H399 PolarHBondContact O-N 2.88Å; H399-F410 HydrophobicContact CB-CB 4.22Å; H399-F410 HydrophobicContact CB-CD2 3.81Å; H399-F410 HydrophobicContact CB-CG 4.21Å; H399-F410 AromaticContact CD2-CD1 3.89Å; H399-F410 AromaticContact CD2-CD2 3.93Å; H399-F410 AromaticContact CD2-CG 3.52Å; H399-F410 AromaticContact CE1-CD1 3.73Å; H399-F410 AromaticContact CE1-CE1 3.71Å; H399-F410 AromaticContact CE1-CE2 4Å; H399-F410 AromaticContact CE1-CG 3.89Å; H399-F410 AromaticContact CE1-CZ 3.84Å; H399-F410 AromaticContact CG-CD2 3.48Å; H399-F410 VanDerWaalsContact CG-CD2 3.48Å; H399-F410 AromaticContact CG-CG 3.59Å; H399-F410 AromaticContact ND1-CD2 3.55Å; H399-F410 AromaticContact ND1-CE2 3.59Å; H399-F410 AromaticContact ND1-CG 3.83Å; H399-F410 AromaticContact ND1-CZ 3.89Å; H399-F410 AromaticContact NE2-CD1 3.6Å; H399-F410 AromaticContact NE2-CG 3.74Å
400	C	67.2	Low	66.8	Low	16 Å²	16	85.7 Å²	85.7	11%	0.108	44%	0.44	C	S	.	.	T	Hydrogen-bonded Turn	trans	-118.4	6.4	-176.7	75.8	0	0	0	0	114.4	C397 A402 D403 C408 K419	C397-C400 PolarHBondContact O-N 2.79Å; C397-C400 VanDerWaalsContact O-N 3.1Å; C400-A402 PolarHBondContact O-N 2.78Å; C400-A402 VanDerWaalsContact O-N 3.1Å; C400-D403 WeakPolarHBondContact O-CB 3.42Å; C400-D403 PolarHBondContact O-N 2.88Å; C400-C408 HydrophobicContact CB-CB 3.71Å; C400-K419 PolarHBondContact SG-NZ 2.74Å
401	K	67.5	Low	65.9	Low	168 Å²	168	85 Å²	85	73%	0.73	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.3	33.6	177.9	-54.2	179.8	-177.3	177.1	0	114.6	C397 D403	C397-K401 WeakPolarHBondContact O-CA 3.31Å; C397-K401 PolarHBondContact O-N 3.21Å; K401-D403 PolarHBondContact O-N 2.77Å; K401-D403 VanDerWaalsContact O-N 3.07Å
402	A	55.1	Low	65.3	Low	61 Å²	61	84.6 Å²	84.6	50%	0.504	44%	0.444	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.2	15.8	-173.6	0	0	0	0	0	116	E396 C400	E396-A402 HydrophobicContact CB-CB 4.44Å; E396-A402 HydrophobicContact CG-CB 4.4Å; C400-A402 PolarHBondContact O-N 2.78Å; C400-A402 VanDerWaalsContact O-N 3.1Å
403	D	63.1	Low	65.4	Low	71 Å²	71	79 Å²	79	38%	0.38	42%	0.42	S	S	.	.			trans	-53	122.8	168.3	-179.3	-34.1	0	0	0	109.4	C400 K401 D405 A406 K419	C400-D403 WeakPolarHBondContact O-CB 3.42Å; C400-D403 PolarHBondContact O-N 2.88Å; K401-D403 PolarHBondContact O-N 2.77Å; K401-D403 VanDerWaalsContact O-N 3.07Å; D403-D405 PolarHBondContact OD1-N 2.94Å; D403-A406 HydrophobicContact CB-CB 3.89Å; D403-A406 PolarHBondContact OD1-N 3.44Å; D403-K419 PolarHBondContact O-NZ 3.1Å
404	P	55.8	Low	66.1	Low	96 Å²	96	78 Å²	78	62%	0.623	41%	0.413	S	S	*	.	S	Bend	trans	-72.8	-29.7	-176.1	29.4	-34.6	0	0	0	113	K419	P404-K419 WeakPolarHBondContact O-CD 3.47Å
405	D	70.3	Confident	67.5	Low	150 Å²	150	80.2 Å²	80.2	80%	0.802	42%	0.422	S	S	*	.	S	Bend	trans	-90.7	-23.1	-171.9	-60.8	-47.4	0	0	0	112.2	D403	D403-D405 PolarHBondContact OD1-N 2.94Å
406	A	75.6	Confident	69.2	Low	34 Å²	34	77.2 Å²	77.2	28%	0.281	40%	0.402	S	S	.	.	S	Bend	trans	-73.6	125.7	177.9	0	0	0	0	0	113.5	D403 C408 K419	D403-A406 HydrophobicContact CB-CB 3.89Å; D403-A406 PolarHBondContact OD1-N 3.44Å; A406-C408 PolarHBondContact O-N 2.79Å; A406-K419 WeakPolarHBondContact O-CE 3.22Å; A406-K419 PolarHBondContact O-NZ 3.07Å
407	E	82.8	Confident	70.4	Confident	149 Å²	149	73.5 Å²	73.5	70%	0.696	39%	0.385	S	S	*	.			trans	-58.4	135.3	170.8	-67	-174.9	156.5	0	0	112	G417	E407-G417 CarbonylContact C-O 3.37Å; E407-G417 WeakPolarHBondContact CA-O 3.46Å
408	C	70.1	Confident	71.5	Confident	6 Å²	6	72.4 Å²	72.4	4%	0.041	38%	0.379	C	S	.	.			trans	-146.2	99.3	-179.5	-170	0	0	0	0	113.3	C400 A406 F410 C411 S412 G417	C400-C408 HydrophobicContact CB-CB 3.71Å; A406-C408 PolarHBondContact O-N 2.79Å; C408-F410 PolarHBondContact O-N 3.11Å; C408-C411 PolarHBondContact O-N 2.84Å; C408-S412 PolarHBondContact O-N 2.81Å; C408-G417 PolarHBondContact N-O 2.96Å
409	R	77.8	Confident	71.8	Confident	143 Å²	143	67.1 Å²	67.1	54%	0.54	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64	-4.7	173.7	-67.3	-179.1	172.2	109.7	10.6	115	C414 V415	R409-C414 VanDerWaalsContact CD-O 3.23Å; R409-C414 WeakPolarHBondContact CD-O 3.47Å; R409-C414 WeakPolarHBondContact CG-O 3.5Å; R409-V415 PolarHBondContact NE-O 3.18Å; R409-V415 PolarHBondContact NH2-O 3.13Å
410	F	61.1	Low	71.7	Confident	131 Å²	131	66.5 Å²	66.5	58%	0.575	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101	-22.3	-178.2	-64.6	-85.3	0	0	0	114.2	H399 C408	H399-F410 HydrophobicContact CB-CB 4.22Å; H399-F410 HydrophobicContact CB-CD2 3.81Å; H399-F410 HydrophobicContact CB-CG 4.21Å; H399-F410 AromaticContact CD2-CD1 3.89Å; H399-F410 AromaticContact CD2-CD2 3.93Å; H399-F410 AromaticContact CD2-CG 3.52Å; H399-F410 AromaticContact CE1-CD1 3.73Å; H399-F410 AromaticContact CE1-CE1 3.71Å; H399-F410 AromaticContact CE1-CE2 4Å; H399-F410 AromaticContact CE1-CG 3.89Å; H399-F410 AromaticContact CE1-CZ 3.84Å; H399-F410 AromaticContact CG-CD2 3.48Å; H399-F410 VanDerWaalsContact CG-CD2 3.48Å; H399-F410 AromaticContact CG-CG 3.59Å; H399-F410 AromaticContact ND1-CD2 3.55Å; H399-F410 AromaticContact ND1-CE2 3.59Å; H399-F410 AromaticContact ND1-CG 3.83Å; H399-F410 AromaticContact ND1-CZ 3.89Å; H399-F410 AromaticContact NE2-CD1 3.6Å; H399-F410 AromaticContact NE2-CG 3.74Å; C408-F410 PolarHBondContact O-N 3.11Å
411	C	62.2	Low	71.6	Confident	65 Å²	65	68.8 Å²	68.8	44%	0.439	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	-131	5	178.6	74.3	0	0	0	0	114.1	C397 C408	C397-C411 HydrophobicContact CB-CB 3.95Å; C397-C411 VanDerWaalsContact SG-CB 3.57Å; C397-C411 VanDerWaalsContact SG-SG 3.68Å; C408-C411 PolarHBondContact O-N 2.84Å
412	S	77.6	Confident	70.8	Confident	9 Å²	9	64 Å²	64	6%	0.063	36%	0.356	C	S	.	.	S	Bend	trans	-146	-158.3	168.6	-154.8	0	0	0	0	108.5	C408 C414 G418 Q425	C408-S412 PolarHBondContact O-N 2.81Å; S412-C414 PolarHBondContact O-N 2.77Å; S412-C414 VanDerWaalsContact O-N 3.09Å; S412-G418 PolarHBondContact OG-O 3.18Å; S412-Q425 PolarHBondContact OG-NE2 2.78Å; S412-Q425 PolarHBondContact OG-OE1 2.81Å
413	C	79.6	Confident	70.9	Confident	0 Å²	0	67.5 Å²	67.5	0%	0	36%	0.362	C	S	.	.	B	Isolated β-bridge	trans	-52.7	119.8	-170.4	177.6	0	0	0	0	112.6	V415 C416 G417 A434 H436	C413-V415 PolarHBondContact O-N 2.92Å; C413-V415 VanDerWaalsContact O-N 3.15Å; C413-C416 VanDerWaalsContact CB-SG 3.59Å; C413-C416 VanDerWaalsContact SG-SG 3.66Å; C413-G417 WeakPolarHBondContact O-CA 3.22Å; C413-G417 PolarHBondContact O-N 3.18Å; C413-A434 CarbonylContact C-O 3.44Å; C413-A434 VanDerWaalsContact CA-O 3.3Å; C413-A434 WeakPolarHBondContact CA-O 3.45Å; C413-H436 VanDerWaalsContact CB-ND1 3.26Å; C413-H436 WeakPolarHBondContact CB-ND1 3.43Å; C413-H436 PolarHBondContact SG-N 2.81Å; C413-H436 VanDerWaalsContact SG-N 3.44Å
414	C	80.6	Confident	71.2	Confident	34 Å²	34	67.4 Å²	67.4	23%	0.23	36%	0.36	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-9	-174.9	70.1	0	0	0	0	114	R409 S412 M433 A434 F435	R409-C414 VanDerWaalsContact CD-O 3.23Å; R409-C414 WeakPolarHBondContact CD-O 3.47Å; R409-C414 WeakPolarHBondContact CG-O 3.5Å; S412-C414 PolarHBondContact O-N 2.77Å; S412-C414 VanDerWaalsContact O-N 3.09Å; C414-M433 HydrophobicContact CB-CB 4.41Å; C414-A434 PolarHBondContact N-O 2.93Å; C414-F435 WeakPolarHBondContact SG-CE1 3.4Å; C414-F435 WeakPolarHBondContact SG-CZ 3.42Å
415	V	84.8	Confident	72	Confident	68 Å²	68	64.6 Å²	64.6	41%	0.412	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.2	-66	175.6	-176.8	0	0	0	0	110.7	R409 C413 F435 C439	R409-V415 PolarHBondContact NE-O 3.18Å; R409-V415 PolarHBondContact NH2-O 3.13Å; C413-V415 PolarHBondContact O-N 2.92Å; C413-V415 VanDerWaalsContact O-N 3.15Å; V415-F435 HydrophobicContact CG2-CD1 3.94Å; V415-F435 HydrophobicContact CG2-CE1 4.19Å; V415-C439 HydrophobicContact CB-CB 4.04Å; V415-C439 HydrophobicContact CG1-CB 4.19Å; V415-C439 HydrophobicContact CG2-CB 4.47Å
416	C	85.9	Confident	72.1	Confident	33 Å²	33	58.1 Å²	58.1	22%	0.223	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.8	-32.2	-177.6	62.4	0	0	0	0	113.4	C413 G418 H436	C413-C416 VanDerWaalsContact CB-SG 3.59Å; C413-C416 VanDerWaalsContact SG-SG 3.66Å; C416-G418 VanDerWaalsContact C-N 3.28Å; C416-G418 PolarHBondContact SG-N 2.92Å; C416-H436 PolarHBondContact SG-ND1 3.03Å; C416-H436 VanDerWaalsContact SG-ND1 3.43Å
417	G	79.3	Confident	71.3	Confident	1 Å²	1	61.3 Å²	61.3	1%	0.01	32%	0.315	C	S	.	.			trans	86.1	-10.8	-170.4	0	0	0	0	0	114.3	E407 C408 C413	E407-G417 CarbonylContact C-O 3.37Å; E407-G417 WeakPolarHBondContact CA-O 3.46Å; C408-G417 PolarHBondContact N-O 2.96Å; C413-G417 WeakPolarHBondContact O-CA 3.22Å; C413-G417 PolarHBondContact O-N 3.18Å
418	G	75.6	Confident	70.5	Confident	3 Å²	3	54.2 Å²	54.2	3%	0.031	28%	0.282	C	S	.	.			trans	-63.6	142	-178.7	0	0	0	0	0	113.8	S412 C416 Q420 Q425 H436	S412-G418 PolarHBondContact OG-O 3.18Å; C416-G418 VanDerWaalsContact C-N 3.28Å; C416-G418 PolarHBondContact SG-N 2.92Å; G418-Q420 VanDerWaalsContact C-OE1 3.3Å; G418-Q425 PolarHBondContact O-NE2 3.48Å; G418-H436 PolarHBondContact O-CE1 2.92Å
419	K	68	Low	70	Confident	52 Å²	52	58.3 Å²	58.3	23%	0.226	30%	0.304	C	S	.	.			trans	-102.5	-12.8	-177.7	-74	164.2	175.1	160.8	0	114.2	C400 D403 P404 A406	C400-K419 PolarHBondContact SG-NZ 2.74Å; D403-K419 PolarHBondContact O-NZ 3.1Å; P404-K419 WeakPolarHBondContact O-CD 3.47Å; A406-K419 WeakPolarHBondContact O-CE 3.22Å; A406-K419 PolarHBondContact O-NZ 3.07Å
420	Q	66.4	Low	68.8	Low	106 Å²	106	57.2 Å²	57.2	50%	0.495	31%	0.305	S	S	.	.	S	Bend	trans	-56.7	163.8	168.2	66.7	-83.5	18.2	0	0	111.5	G418 A422 H436	G418-Q420 VanDerWaalsContact C-OE1 3.3Å; Q420-A422 VanDerWaalsContact C-N 3.28Å; Q420-A422 PolarHBondContact O-N 2.8Å; Q420-A422 VanDerWaalsContact O-N 3.16Å; Q420-H436 PolarHBondContact O-NE2 3.03Å
421	D	63.6	Low	68.7	Low	64 Å²	64	52.4 Å²	52.4	34%	0.342	29%	0.287	S	S	.	.			trans	51.5	39.4	172.2	-45.5	-36.1	0	0	0	115.1	H423 M424 Y438	D421-H423 PolarHBondContact O-N 3.27Å; D421-H423 VanDerWaalsContact O-N 3.13Å; D421-M424 HydrophobicContact CB-CB 4.2Å; D421-M424 HydrophobicContact CB-CG 4.41Å; D421-M424 WeakPolarHBondContact O-CA 3.26Å; D421-M424 WeakPolarHBondContact O-CB 3.29Å; D421-M424 PolarHBondContact O-N 2.75Å; D421-Y438 HydrophobicContact CB-CE1 4.28Å; D421-Y438 PolarHBondContact OD2-OH 3.41Å
422	A	52.2	Low	68.1	Low	68 Å²	68	53 Å²	53	56%	0.562	29%	0.286	S	S	*	.	G	3₁₀ helix	trans	-53.7	-33.5	177.6	0	0	0	0	0	112.9	Q420 M424 Q425	Q420-A422 VanDerWaalsContact C-N 3.28Å; Q420-A422 PolarHBondContact O-N 2.8Å; Q420-A422 VanDerWaalsContact O-N 3.16Å; A422-M424 PolarHBondContact O-N 2.84Å; A422-Q425 WeakPolarHBondContact O-CB 3.41Å; A422-Q425 PolarHBondContact O-N 3.4Å; A422-Q425 VanDerWaalsContact O-N 3.07Å
423	H	55.9	Low	67.6	Low	135 Å²	135	55.1 Å²	55.1	63%	0.625	30%	0.296	S	S	*	.	G	3₁₀ helix	trans	-68.8	-4.5	173.9	75.9	-80.6	0	0	0	114.7	D421 I447	D421-H423 PolarHBondContact O-N 3.27Å; D421-H423 VanDerWaalsContact O-N 3.13Å; H423-I447 VanDerWaalsContact O-CD1 3.23Å; H423-I447 WeakPolarHBondContact O-CD1 2.98Å
424	M	70.1	Confident	67.2	Low	68 Å²	68	55.7 Å²	55.7	34%	0.335	30%	0.3	S	S	.	.	G	3₁₀ helix	trans	-115.4	15	172.3	-61.3	-167.5	177.9	0	0	112.2	D421 A422 H436 I437 Y438	D421-M424 HydrophobicContact CB-CB 4.2Å; D421-M424 HydrophobicContact CB-CG 4.41Å; D421-M424 WeakPolarHBondContact O-CA 3.26Å; D421-M424 WeakPolarHBondContact O-CB 3.29Å; D421-M424 PolarHBondContact O-N 2.75Å; A422-M424 PolarHBondContact O-N 2.84Å; M424-H436 WeakPolarHBondContact O-CA 3.29Å; M424-I437 HydrophobicContact CB-CD1 4.19Å; M424-I437 HydrophobicContact CB-CG1 4.17Å; M424-I437 HydrophobicContact CG-CD1 4.4Å; M424-I437 PolarHBondContact O-N 2.92Å; M424-I437 HydrophobicContact SD-CD1 4.38Å; M424-Y438 HydrophobicContact SD-CD1 4.45Å; M424-Y438 HydrophobicContact SD-CE1 4.32Å
425	Q	73.4	Confident	67.3	Low	37 Å²	37	54.8 Å²	54.8	17%	0.173	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	138.4	174.8	-65.7	-172.7	-5	0	0	111.9	S412 G418 A422 F435 H436	S412-Q425 PolarHBondContact OG-NE2 2.78Å; S412-Q425 PolarHBondContact OG-OE1 2.81Å; G418-Q425 PolarHBondContact O-NE2 3.48Å; A422-Q425 WeakPolarHBondContact O-CB 3.41Å; A422-Q425 PolarHBondContact O-N 3.4Å; A422-Q425 VanDerWaalsContact O-N 3.07Å; Q425-F435 CarbonylContact C-O 3.53Å; Q425-F435 WeakPolarHBondContact CA-O 3.41Å; Q425-H436 VanDerWaalsContact CG-CD2 3.48Å; Q425-H436 WeakPolarHBondContact CG-CD2 3.47Å; Q425-H436 PolarHBondContact NE2-CE1 3.42Å; Q425-H436 PolarHBondContact NE2-NE2 2.97Å; Q425-H436 VanDerWaalsContact NE2-NE2 3.12Å
426	L	70.9	Confident	67.2	Low	14 Å²	14	51.5 Å²	51.5	7%	0.073	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	139.2	170.6	-60.5	178.5	0	0	0	109.7	A434 F435 I437 L440 L444 I447 P448 W453	L426-A434 CarbonylContact O-C 3.58Å; L426-A434 VanDerWaalsContact O-CA 3.29Å; L426-A434 WeakPolarHBondContact O-CA 3.48Å; L426-F435 PolarHBondContact N-O 2.84Å; L426-F435 PolarHBondContact O-N 3.23Å; L426-I437 HydrophobicContact CD1-CG2 3.94Å; L426-I437 HydrophobicContact CD2-CG2 4.44Å; L426-I437 HydrophobicContact CG-CG2 3.9Å; L426-L440 HydrophobicContact CD1-CD1 4.26Å; L426-L444 HydrophobicContact CD1-CD1 3.87Å; L426-I447 HydrophobicContact CD2-CB 4.21Å; L426-I447 HydrophobicContact CD2-CG1 3.82Å; L426-I447 HydrophobicContact CD2-CG2 3.84Å; L426-P448 HydrophobicContact CD1-CG 4.41Å; L426-W453 HydrophobicContact CB-CD2 3.95Å; L426-W453 HydrophobicContact CB-CE3 3.69Å; L426-W453 HydrophobicContact CB-CH2 4.06Å; L426-W453 HydrophobicContact CB-CZ2 4.32Å; L426-W453 HydrophobicContact CB-CZ3 3.73Å; L426-W453 HydrophobicContact CD1-CD2 3.83Å; L426-W453 VanDerWaalsContact CD1-CE2 3.49Å; L426-W453 HydrophobicContact CD1-CE3 4.41Å; L426-W453 HydrophobicContact CD1-CG 4.18Å; L426-W453 HydrophobicContact CD1-CH2 4.38Å; L426-W453 HydrophobicContact CD1-CZ2 3.81Å; L426-W453 HydrophobicContact CG-CD2 4.48Å
427	L	60.1	Low	66.8	Low	101 Å²	101	50.6 Å²	50.6	53%	0.529	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	133.9	170	-71.1	167.6	0	0	0	109	A434	L427-A434 HydrophobicContact CD2-CB 3.85Å
428	C	66.3	Low	67.2	Low	1 Å²	1	54.9 Å²	54.9	1%	0.007	28%	0.282	C	S	.	.			trans	-86.7	127.2	177.6	173.4	0	0	0	0	112.3	E430 C431 N432 M433 F435 W453 C455	C428-E430 VanDerWaalsContact C-N 3.26Å; C428-E430 PolarHBondContact O-N 2.81Å; C428-C431 PolarHBondContact O-N 2.82Å; C428-N432 WeakPolarHBondContact O-CA 3.48Å; C428-N432 PolarHBondContact O-N 3.37Å; C428-M433 PolarHBondContact N-O 2.78Å; C428-M433 VanDerWaalsContact N-O 3.11Å; C428-F435 HydrophobicContact CB-CE2 4.48Å; C428-W453 WeakPolarHBondContact CA-O 3.34Å; C428-W453 HydrophobicContact CB-CE3 3.98Å; C428-W453 HydrophobicContact CB-CZ3 3.78Å; C428-C455 HydrophobicContact CB-CB 3.81Å; C428-C455 PolarHBondContact SG-N 2.85Å; C428-C455 VanDerWaalsContact SG-SG 3.62Å
429	D	59.3	Low	67.7	Low	92 Å²	92	56.1 Å²	56.1	49%	0.492	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-19.1	-174.9	-64.4	-68	0	0	0	115.3	D452 W453	D429-D452 WeakPolarHBondContact OD2-CA 3.35Å; D429-W453 PolarHBondContact N-O 2.86Å; D429-W453 PolarHBondContact OD2-N 3.19Å
430	E	52.5	Low	68.5	Low	119 Å²	119	54.2 Å²	54.2	56%	0.556	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89	-42	176.9	-177.1	170.6	-146	0	0	113.5	C428 Y454 C458	C428-E430 VanDerWaalsContact C-N 3.26Å; C428-E430 PolarHBondContact O-N 2.81Å; E430-Y454 HydrophobicContact CB-CD1 4.14Å; E430-Y454 HydrophobicContact CB-CE1 4.17Å; E430-C458 HydrophobicContact CB-CB 4.16Å; E430-C458 WeakPolarHBondContact OE2-CB 3.16Å; E430-C458 PolarHBondContact OE2-SG 3.22Å
431	C	58.2	Low	68.9	Low	31 Å²	31	56 Å²	56	21%	0.209	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.1	-8.6	-174.7	70.2	0	0	0	0	114.9	C428 M433	C428-C431 PolarHBondContact O-N 2.82Å; C431-M433 HydrophobicContact CB-CG 4.41Å; C431-M433 PolarHBondContact O-N 3.43Å
432	N	50.7	Low	69.7	Low	78 Å²	78	57.8 Å²	57.8	42%	0.417	31%	0.31	S	S	.	.			trans	54.6	27.5	-179	-150.7	110	0	0	0	114.2	C428	C428-N432 WeakPolarHBondContact O-CA 3.48Å; C428-N432 PolarHBondContact O-N 3.37Å
433	M	67.3	Low	71.3	Confident	53 Å²	53	58.6 Å²	58.6	26%	0.261	31%	0.31	S	S	.	.			trans	-91	146	173	-62.5	-70.8	91.2	0	0	110.8	C414 C428 C431 F435	C414-M433 HydrophobicContact CB-CB 4.41Å; C428-M433 PolarHBondContact N-O 2.78Å; C428-M433 VanDerWaalsContact N-O 3.11Å; C431-M433 HydrophobicContact CB-CG 4.41Å; C431-M433 PolarHBondContact O-N 3.43Å; M433-F435 HydrophobicContact CB-CE2 3.84Å; M433-F435 HydrophobicContact CB-CZ 4.44Å; M433-F435 WeakPolarHBondContact O-CD2 3.23Å
434	A	69.8	Low	72.4	Confident	11 Å²	11	55.1 Å²	55.1	9%	0.091	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	146.7	179.3	0	0	0	0	0	112.4	C413 C414 L426 L427	C413-A434 CarbonylContact C-O 3.44Å; C413-A434 VanDerWaalsContact CA-O 3.3Å; C413-A434 WeakPolarHBondContact CA-O 3.45Å; C414-A434 PolarHBondContact N-O 2.93Å; L426-A434 CarbonylContact O-C 3.58Å; L426-A434 VanDerWaalsContact O-CA 3.29Å; L426-A434 WeakPolarHBondContact O-CA 3.48Å; L427-A434 HydrophobicContact CD2-CB 3.85Å
435	F	83.3	Confident	72.8	Confident	15 Å²	15	56.7 Å²	56.7	7%	0.066	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	124.1	178.9	-63.9	-103.5	0	0	0	110	C414 V415 Q425 L426 C428 M433 L440 W453 C455	C414-F435 WeakPolarHBondContact SG-CE1 3.4Å; C414-F435 WeakPolarHBondContact SG-CZ 3.42Å; V415-F435 HydrophobicContact CG2-CD1 3.94Å; V415-F435 HydrophobicContact CG2-CE1 4.19Å; Q425-F435 CarbonylContact C-O 3.53Å; Q425-F435 WeakPolarHBondContact CA-O 3.41Å; L426-F435 PolarHBondContact N-O 2.84Å; L426-F435 PolarHBondContact O-N 3.23Å; C428-F435 HydrophobicContact CB-CE2 4.48Å; M433-F435 HydrophobicContact CB-CE2 3.84Å; M433-F435 HydrophobicContact CB-CZ 4.44Å; M433-F435 WeakPolarHBondContact O-CD2 3.23Å; F435-L440 HydrophobicContact CB-CD2 3.86Å; F435-L440 HydrophobicContact CB-CG 4.32Å; F435-L440 HydrophobicContact CD1-CD2 3.67Å; F435-L440 HydrophobicContact CE1-CD2 4.49Å; F435-L440 HydrophobicContact CG-CD2 3.98Å; F435-W453 HydrophobicContact CB-CH2 3.89Å; F435-W453 HydrophobicContact CB-CZ3 4.44Å; F435-W453 AromaticContact CD2-CH2 3.66Å; F435-W453 HydrophobicContact CD2-CH2 3.66Å; F435-W453 AromaticContact CD2-CZ3 3.72Å; F435-W453 HydrophobicContact CD2-CZ3 3.72Å; F435-W453 HydrophobicContact CE2-CH2 4.35Å; F435-W453 HydrophobicContact CE2-CZ3 4.33Å; F435-W453 AromaticContact CG-CH2 3.81Å; F435-W453 HydrophobicContact CG-CH2 3.81Å; F435-W453 HydrophobicContact CG-CZ3 4.3Å; F435-C455 HydrophobicContact CD1-CB 4.44Å; F435-C455 HydrophobicContact CD2-CB 3.78Å; F435-C455 HydrophobicContact CE1-CB 3.9Å; F435-C455 HydrophobicContact CE2-CB 3.16Å; F435-C455 HydrophobicContact CG-CB 4.39Å; F435-C455 HydrophobicContact CZ-CB 3.23Å; F435-C455 VanDerWaalsContact CZ-SG 3.6Å
436	H	81.7	Confident	73	Confident	0 Å²	0	59.7 Å²	59.7	0%	0	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.9	139.2	163.8	-68.2	108.8	0	0	0	109.9	C413 C416 G418 Q420 M424 Q425 Y438 C439 L440	C413-H436 VanDerWaalsContact CB-ND1 3.26Å; C413-H436 WeakPolarHBondContact CB-ND1 3.43Å; C413-H436 PolarHBondContact SG-N 2.81Å; C413-H436 VanDerWaalsContact SG-N 3.44Å; C416-H436 PolarHBondContact SG-ND1 3.03Å; C416-H436 VanDerWaalsContact SG-ND1 3.43Å; G418-H436 PolarHBondContact O-CE1 2.92Å; Q420-H436 PolarHBondContact O-NE2 3.03Å; M424-H436 WeakPolarHBondContact O-CA 3.29Å; Q425-H436 VanDerWaalsContact CG-CD2 3.48Å; Q425-H436 WeakPolarHBondContact CG-CD2 3.47Å; Q425-H436 PolarHBondContact NE2-CE1 3.42Å; Q425-H436 PolarHBondContact NE2-NE2 2.97Å; Q425-H436 VanDerWaalsContact NE2-NE2 3.12Å; H436-Y438 HydrophobicContact CB-CD1 4.23Å; H436-Y438 HydrophobicContact CB-CD2 3.84Å; H436-Y438 HydrophobicContact CB-CE1 4.11Å; H436-Y438 HydrophobicContact CB-CE2 3.67Å; H436-Y438 HydrophobicContact CB-CG 4.12Å; H436-Y438 AromaticContact CD2-CE1 3.94Å; H436-Y438 AromaticContact CD2-CZ 3.6Å; H436-Y438 PolarHBondContact CD2-OH 3.48Å; H436-Y438 AromaticContact CG-CE2 3.75Å; H436-Y438 AromaticContact CG-CZ 3.64Å; H436-Y438 PolarHBondContact NE2-OH 2.93Å; H436-Y438 PolarHBondContact O-N 2.75Å; H436-Y438 VanDerWaalsContact O-N 3.11Å; H436-C439 HydrophobicContact CB-CB 4.02Å; H436-C439 PolarHBondContact O-N 2.82Å; H436-L440 PolarHBondContact O-N 3.32Å
437	I	78.7	Confident	72.8	Confident	14 Å²	14	62.8 Å²	62.8	7%	0.072	36%	0.356	C	S	.	.	G	3₁₀ helix	trans	-51.8	-36.2	175	58.9	-179.1	0	0	0	112.2	M424 L426 L444 I447	M424-I437 HydrophobicContact CB-CD1 4.19Å; M424-I437 HydrophobicContact CB-CG1 4.17Å; M424-I437 HydrophobicContact CG-CD1 4.4Å; M424-I437 PolarHBondContact O-N 2.92Å; M424-I437 HydrophobicContact SD-CD1 4.38Å; L426-I437 HydrophobicContact CD1-CG2 3.94Å; L426-I437 HydrophobicContact CD2-CG2 4.44Å; L426-I437 HydrophobicContact CG-CG2 3.9Å; I437-L444 HydrophobicContact CB-CB 4.04Å; I437-L444 HydrophobicContact CG2-CB 4.43Å; I437-L444 PolarHBondContact O-N 3.22Å; I437-I447 HydrophobicContact CG2-CG1 3.94Å
438	Y	87.5	Confident	73.4	Confident	90 Å²	90	59.9 Å²	59.9	35%	0.353	34%	0.343	S	S	.	.	G	3₁₀ helix	trans	-82.7	-14.6	179.6	57.1	-112.7	0	0	0	114.9	D421 M424 H436	D421-Y438 HydrophobicContact CB-CE1 4.28Å; D421-Y438 PolarHBondContact OD2-OH 3.41Å; M424-Y438 HydrophobicContact SD-CD1 4.45Å; M424-Y438 HydrophobicContact SD-CE1 4.32Å; H436-Y438 HydrophobicContact CB-CD1 4.23Å; H436-Y438 HydrophobicContact CB-CD2 3.84Å; H436-Y438 HydrophobicContact CB-CE1 4.11Å; H436-Y438 HydrophobicContact CB-CE2 3.67Å; H436-Y438 HydrophobicContact CB-CG 4.12Å; H436-Y438 AromaticContact CD2-CE1 3.94Å; H436-Y438 AromaticContact CD2-CZ 3.6Å; H436-Y438 PolarHBondContact CD2-OH 3.48Å; H436-Y438 AromaticContact CG-CE2 3.75Å; H436-Y438 AromaticContact CG-CZ 3.64Å; H436-Y438 PolarHBondContact NE2-OH 2.93Å; H436-Y438 PolarHBondContact O-N 2.75Å; H436-Y438 VanDerWaalsContact O-N 3.11Å
439	C	85.4	Confident	72.7	Confident	30 Å²	30	68 Å²	68	20%	0.203	39%	0.387	C	S	.	.	G	3₁₀ helix	trans	-92.2	-0.4	174.9	-71.2	0	0	0	0	113.3	V415 H436	V415-C439 HydrophobicContact CB-CB 4.04Å; V415-C439 HydrophobicContact CG1-CB 4.19Å; V415-C439 HydrophobicContact CG2-CB 4.47Å; H436-C439 HydrophobicContact CB-CB 4.02Å; H436-C439 PolarHBondContact O-N 2.82Å
440	L	84.9	Confident	72.6	Confident	12 Å²	12	69.8 Å²	69.8	6%	0.063	40%	0.396	C	S	.	.	S	Bend	trans	-74.6	160	171.6	-66.5	168.6	0	0	0	111.1	L426 F435 H436 P442 P443 L444 W453 P456	L426-L440 HydrophobicContact CD1-CD1 4.26Å; F435-L440 HydrophobicContact CB-CD2 3.86Å; F435-L440 HydrophobicContact CB-CG 4.32Å; F435-L440 HydrophobicContact CD1-CD2 3.67Å; F435-L440 HydrophobicContact CE1-CD2 4.49Å; F435-L440 HydrophobicContact CG-CD2 3.98Å; H436-L440 PolarHBondContact O-N 3.32Å; L440-P442 CarbonylContact C-O 3.56Å; L440-P442 CarbonylContact O-C 3.39Å; L440-P442 VanDerWaalsContact O-C 3.3Å; L440-P443 WeakPolarHBondContact O-CA 3.32Å; L440-P443 WeakPolarHBondContact O-CD 3.46Å; L440-P443 WeakPolarHBondContact O-CG 3.5Å; L440-P443 VanDerWaalsContact O-N 3.1Å; L440-L444 HydrophobicContact CD1-CB 4.42Å; L440-L444 HydrophobicContact CD1-CD1 3.5Å; L440-L444 HydrophobicContact CD1-CG 3.73Å; L440-W453 HydrophobicContact CD1-CH2 4.33Å; L440-W453 HydrophobicContact CD1-CZ2 3.68Å; L440-W453 HydrophobicContact CD2-CH2 3.92Å; L440-W453 HydrophobicContact CD2-CZ2 3.83Å; L440-W453 HydrophobicContact CG-CZ2 4.43Å; L440-P456 HydrophobicContact CD2-CG 3.95Å
441	N	75.1	Confident	72.2	Confident	144 Å²	144	73.6 Å²	73.6	77%	0.77	41%	0.414	S	S	*	.	S	Bend	trans	-127.7	112.5	172.5	-172	9.9	0	0	0	109.7
442	P	80.8	Confident	72	Confident	100 Å²	100	77.1 Å²	77.1	65%	0.649	43%	0.431	S	S	*	.	S	Bend	cis	-64.4	153.9	-8.1	29.7	-36.1	0	0	0	112.2	L440	L440-P442 CarbonylContact C-O 3.56Å; L440-P442 CarbonylContact O-C 3.39Å; L440-P442 VanDerWaalsContact O-C 3.3Å
443	P	84.9	Confident	73.2	Confident	86 Å²	86	75.1 Å²	75.1	56%	0.558	42%	0.417	S	S	*	.	P	Polyproline II helix	trans	-59.7	143.4	172.8	-25.7	35.5	0	0	0	112.4	L440	L440-P443 WeakPolarHBondContact O-CA 3.32Å; L440-P443 WeakPolarHBondContact O-CD 3.46Å; L440-P443 WeakPolarHBondContact O-CG 3.5Å; L440-P443 VanDerWaalsContact O-N 3.1Å
444	L	79.4	Confident	73.4	Confident	61 Å²	61	77.1 Å²	77.1	32%	0.319	42%	0.423	S	S	.	.	P	Polyproline II helix	trans	-93.6	135.4	171.5	-63	-179.4	0	0	0	110.2	L426 I437 L440 P448	L426-L444 HydrophobicContact CD1-CD1 3.87Å; I437-L444 HydrophobicContact CB-CB 4.04Å; I437-L444 HydrophobicContact CG2-CB 4.43Å; I437-L444 PolarHBondContact O-N 3.22Å; L440-L444 HydrophobicContact CD1-CB 4.42Å; L440-L444 HydrophobicContact CD1-CD1 3.5Å; L440-L444 HydrophobicContact CD1-CG 3.73Å; L444-P448 HydrophobicContact CD1-CG 4.11Å
445	A	77.9	Confident	73.6	Confident	101 Å²	101	76.6 Å²	76.6	84%	0.835	42%	0.418	S	S	*	.	S	Bend	trans	-78.5	-24.5	-179.7	0	0	0	0	0	113.5
446	T	77.6	Confident	73.1	Confident	101 Å²	101	79.3 Å²	79.3	62%	0.62	44%	0.437	S	S	*	.	S	Bend	trans	-142.1	164.9	176.1	60	0	0	0	0	109.7
447	I	66.8	Low	72.3	Confident	78 Å²	78	85.2 Å²	85.2	40%	0.4	47%	0.474	S	S	.	.			trans	-62.1	137.1	160.3	-73.6	163	0	0	0	108.3	H423 L426 I437	H423-I447 VanDerWaalsContact O-CD1 3.23Å; H423-I447 WeakPolarHBondContact O-CD1 2.98Å; L426-I447 HydrophobicContact CD2-CB 4.21Å; L426-I447 HydrophobicContact CD2-CG1 3.82Å; L426-I447 HydrophobicContact CD2-CG2 3.84Å; I437-I447 HydrophobicContact CG2-CG1 3.94Å
448	P	73.1	Confident	71.6	Confident	40 Å²	40	85.3 Å²	85.3	26%	0.26	48%	0.475	S	S	.	.			trans	-69.6	148.5	172.6	-21.1	34.5	0	0	0	112.9	L426 L444 D450	L426-P448 HydrophobicContact CD1-CG 4.41Å; L444-P448 HydrophobicContact CD1-CG 4.11Å; P448-D450 VanDerWaalsContact C-N 3.26Å; P448-D450 PolarHBondContact O-N 2.79Å
449	D	52.4	Low	70.5	Confident	173 Å²	173	85.5 Å²	85.5	93%	0.925	48%	0.478	S	S	*	.			trans	-82.4	4.3	175.9	-56.1	-54.8	0	0	0	113.8
450	D	55.8	Low	69	Low	128 Å²	128	90.3 Å²	90.3	68%	0.684	50%	0.501	S	S	*	.			trans	-77.9	143.3	-177.2	-67.8	-62.2	0	0	0	112.2	P448 D452	P448-D450 VanDerWaalsContact C-N 3.26Å; P448-D450 PolarHBondContact O-N 2.79Å; D450-D452 VanDerWaalsContact C-N 3.32Å; D450-D452 PolarHBondContact O-N 3.07Å
451	E	45.6	Very low	66.8	Low	200 Å²	200	94.9 Å²	94.9	94%	0.935	53%	0.526	S	S	*	.	S	Bend	trans	-70.3	-20.9	179.3	-66.9	-175.6	156.3	0	0	114.3
452	D	53.1	Low	65.1	Low	105 Å²	105	92.2 Å²	92.2	56%	0.561	52%	0.515	S	S	*	.			trans	-123.5	136.1	175.1	-59.5	-55	0	0	0	110.2	D429 D450 Y454	D429-D452 WeakPolarHBondContact OD2-CA 3.35Å; D450-D452 VanDerWaalsContact C-N 3.32Å; D450-D452 PolarHBondContact O-N 3.07Å; D452-Y454 HydrophobicContact CB-CE2 3.71Å
453	W	76.9	Confident	63.4	Low	36 Å²	36	92 Å²	92	14%	0.136	52%	0.516	C	S	.	.			trans	-128.9	139.3	172.3	-176.3	84.1	0	0	0	114.4	L426 C428 D429 F435 L440 C455	L426-W453 HydrophobicContact CB-CD2 3.95Å; L426-W453 HydrophobicContact CB-CE3 3.69Å; L426-W453 HydrophobicContact CB-CH2 4.06Å; L426-W453 HydrophobicContact CB-CZ2 4.32Å; L426-W453 HydrophobicContact CB-CZ3 3.73Å; L426-W453 HydrophobicContact CD1-CD2 3.83Å; L426-W453 VanDerWaalsContact CD1-CE2 3.49Å; L426-W453 HydrophobicContact CD1-CE3 4.41Å; L426-W453 HydrophobicContact CD1-CG 4.18Å; L426-W453 HydrophobicContact CD1-CH2 4.38Å; L426-W453 HydrophobicContact CD1-CZ2 3.81Å; L426-W453 HydrophobicContact CG-CD2 4.48Å; C428-W453 WeakPolarHBondContact CA-O 3.34Å; C428-W453 HydrophobicContact CB-CE3 3.98Å; C428-W453 HydrophobicContact CB-CZ3 3.78Å; D429-W453 PolarHBondContact N-O 2.86Å; D429-W453 PolarHBondContact OD2-N 3.19Å; F435-W453 HydrophobicContact CB-CH2 3.89Å; F435-W453 HydrophobicContact CB-CZ3 4.44Å; F435-W453 AromaticContact CD2-CH2 3.66Å; F435-W453 HydrophobicContact CD2-CH2 3.66Å; F435-W453 AromaticContact CD2-CZ3 3.72Å; F435-W453 HydrophobicContact CD2-CZ3 3.72Å; F435-W453 HydrophobicContact CE2-CH2 4.35Å; F435-W453 HydrophobicContact CE2-CZ3 4.33Å; F435-W453 AromaticContact CG-CH2 3.81Å; F435-W453 HydrophobicContact CG-CH2 3.81Å; F435-W453 HydrophobicContact CG-CZ3 4.3Å; L440-W453 HydrophobicContact CD1-CH2 4.33Å; L440-W453 HydrophobicContact CD1-CZ2 3.68Å; L440-W453 HydrophobicContact CD2-CH2 3.92Å; L440-W453 HydrophobicContact CD2-CZ2 3.83Å; L440-W453 HydrophobicContact CG-CZ2 4.43Å; W453-C455 VanDerWaalsContact CH2-CA 3.45Å; W453-C455 HydrophobicContact CH2-CB 3.51Å; W453-C455 HydrophobicContact CZ2-CB 4.33Å; W453-C455 HydrophobicContact CZ3-CB 3.73Å
454	Y	70.6	Confident	61.3	Low	95 Å²	95	95.2 Å²	95.2	37%	0.373	52%	0.523	S	S	.	.			trans	-124.2	124.5	-177.7	-59.8	-96.6	0	0	0	110.9	E430 D452	E430-Y454 HydrophobicContact CB-CD1 4.14Å; E430-Y454 HydrophobicContact CB-CE1 4.17Å; D452-Y454 HydrophobicContact CB-CE2 3.71Å
455	C	74.5	Confident	59.4	Low	0 Å²	0	96.6 Å²	96.6	0%	0	53%	0.534	C	S	.	.			trans	-70.1	160.9	177.8	69	0	0	0	0	112.7	C428 F435 W453 T457 C458 K459	C428-C455 HydrophobicContact CB-CB 3.81Å; C428-C455 PolarHBondContact SG-N 2.85Å; C428-C455 VanDerWaalsContact SG-SG 3.62Å; F435-C455 HydrophobicContact CD1-CB 4.44Å; F435-C455 HydrophobicContact CD2-CB 3.78Å; F435-C455 HydrophobicContact CE1-CB 3.9Å; F435-C455 HydrophobicContact CE2-CB 3.16Å; F435-C455 HydrophobicContact CG-CB 4.39Å; F435-C455 HydrophobicContact CZ-CB 3.23Å; F435-C455 VanDerWaalsContact CZ-SG 3.6Å; W453-C455 VanDerWaalsContact CH2-CA 3.45Å; W453-C455 HydrophobicContact CH2-CB 3.51Å; W453-C455 HydrophobicContact CZ2-CB 4.33Å; W453-C455 HydrophobicContact CZ3-CB 3.73Å; C455-T457 PolarHBondContact O-N 2.74Å; C455-T457 PolarHBondContact SG-OG1 2.86Å; C455-T457 VanDerWaalsContact SG-OG1 3.41Å; C455-C458 CarbonylContact O-C 3.54Å; C455-C458 PolarHBondContact O-N 3.48Å; C455-K459 WeakPolarHBondContact O-CB 3.49Å; C455-K459 PolarHBondContact O-N 2.95Å
456	P	71.5	Confident	57.1	Low	71 Å²	71	97 Å²	97	46%	0.461	53%	0.526	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-22.9	-172.9	-28.6	36.6	0	0	0	116.5	L440	L440-P456 HydrophobicContact CD2-CG 3.95Å
457	T	65.3	Low	55	Low	125 Å²	125	97.9 Å²	97.9	77%	0.767	52%	0.521	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88	-18.3	176.6	45.5	0	0	0	0	114.4	C455	C455-T457 PolarHBondContact O-N 2.74Å; C455-T457 PolarHBondContact SG-OG1 2.86Å; C455-T457 VanDerWaalsContact SG-OG1 3.41Å
458	C	64.8	Low	53.4	Low	15 Å²	15	99.3 Å²	99.3	10%	0.101	55%	0.545	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.3	-27.7	172.7	-76.5	0	0	0	0	112.1	E430 C455 N460	E430-C458 HydrophobicContact CB-CB 4.16Å; E430-C458 WeakPolarHBondContact OE2-CB 3.16Å; E430-C458 PolarHBondContact OE2-SG 3.22Å; C455-C458 CarbonylContact O-C 3.54Å; C455-C458 PolarHBondContact O-N 3.48Å; C458-N460 PolarHBondContact O-N 3.1Å; C458-N460 VanDerWaalsContact O-N 3.07Å
459	K	63.6	Low	51.7	Low	95 Å²	95	101.2 Å²	101.2	41%	0.413	57%	0.572	S	S	.	*	S	Bend	trans	-77.9	92.1	179.2	-175.4	-178.8	177.4	-178.3	0	109.4	C455 D461	C455-K459 WeakPolarHBondContact O-CB 3.49Å; C455-K459 PolarHBondContact O-N 2.95Å; K459-D461 PolarHBondContact O-N 2.85Å; K459-D461 VanDerWaalsContact O-N 3.14Å
460	N	54.5	Low	50.7	Low	130 Å²	130	100.6 Å²	100.6	70%	0.695	56%	0.563	S	S	*	*			trans	-45.3	125.2	162.1	-71.8	9.1	0	0	0	108.9	C458	C458-N460 PolarHBondContact O-N 3.1Å; C458-N460 VanDerWaalsContact O-N 3.07Å
461	D	38.2	Very low	49.6	Very low	109 Å²	109	103.8 Å²	103.8	58%	0.583	57%	0.571	S	S	*	*			trans	-52.9	145.6	-164.7	-170.1	5.2	0	0	0	112.3	K459 S463	K459-D461 PolarHBondContact O-N 2.85Å; K459-D461 VanDerWaalsContact O-N 3.14Å; D461-S463 PolarHBondContact OD1-N 3.2Å; D461-S463 PolarHBondContact OD2-OG 2.96Å
462	T	40.5	Very low	49.1	Very low	87 Å²	87	99.5 Å²	99.5	53%	0.534	55%	0.554	S	S	.	*	S	Bend	trans	-91.3	-4	-179	37.8	0	0	0	0	113.7	E464	T462-E464 VanDerWaalsContact C-N 3.3Å
463	S	45.3	Very low	48.3	Very low	97 Å²	97	104.2 Å²	104.2	68%	0.678	57%	0.57	S	S	*	*	S	Bend	trans	-68.6	-29.1	169.1	66.3	0	0	0	0	112.5	D461	D461-S463 PolarHBondContact OD1-N 3.2Å; D461-S463 PolarHBondContact OD2-OG 2.96Å
464	E	40.3	Very low	46.2	Very low	152 Å²	152	107.1 Å²	107.1	71%	0.71	60%	0.602	S	S	*	*	S	Bend	trans	-111.5	145.3	165.8	-65.6	-162.5	166	0	0	111.3	T462	T462-E464 VanDerWaalsContact C-N 3.3Å
465	V	38.8	Very low	45	Very low	90 Å²	90	106.4 Å²	106.4	55%	0.545	61%	0.611	S	S	.	*			trans	67.8	100.7	178.5	-169	0	0	0	0	115.9	K467	V465-K467 HydrophobicContact CG1-CG 4.47Å; V465-K467 PolarHBondContact O-N 3.29Å
466	V	29.8	Very low	43.6	Very low	111 Å²	111	115.8 Å²	115.8	67%	0.673	65%	0.651	S	S	*	*			trans	-60.1	115.9	158.4	-178.7	0	0	0	0	109.5
467	K	33.1	Very low	42.4	Very low	118 Å²	118	121.1 Å²	121.1	51%	0.513	67%	0.667	S	S	.	*			trans	-87.9	166.7	176.8	-79.4	175	178.3	164.5	0	112.2	V465	V465-K467 HydrophobicContact CG1-CG 4.47Å; V465-K467 PolarHBondContact O-N 3.29Å
468	A	34.8	Very low	41.5	Very low	109 Å²	109	120.8 Å²	120.8	90%	0.901	66%	0.655	S	S	*	*	S	Bend	trans	-74.4	142.7	175.2	0	0	0	0	0	110.9
469	G	36.7	Very low	40.6	Very low	80 Å²	80	124.2 Å²	124.2	83%	0.825	69%	0.685	S	S	*	*	S	Bend	trans	121	-54.5	-175.9	0	0	0	0	0	111.1	K471	G469-K471 PolarHBondContact O-N 2.94Å
470	E	31.6	Very low	39.9	Very low	159 Å²	159	128.8 Å²	128.8	74%	0.743	70%	0.704	S	S	*	*	S	Bend	trans	-64.8	134.4	-177.1	-157.5	-170	-164.8	0	0	112.7	L472	E470-L472 PolarHBondContact O-N 2.91Å
471	K	33.3	Very low	39.2	Very low	196 Å²	196	126.8 Å²	126.8	85%	0.852	69%	0.692	S	S	*	*			trans	-73.2	92.4	174.9	-74	175	-177.2	163	0	110.4	G469 K473	G469-K471 PolarHBondContact O-N 2.94Å; K471-K473 PolarHBondContact O-N 3.33Å; K471-K473 VanDerWaalsContact O-N 3.09Å
472	L	34	Very low	39.2	Very low	109 Å²	109	126.9 Å²	126.9	57%	0.571	70%	0.698	S	S	*	*			trans	-32.5	116.6	159.6	-98.5	166.1	0	0	0	110.9	E470 A474	E470-L472 PolarHBondContact O-N 2.91Å; L472-A474 PolarHBondContact O-N 3.07Å; L472-A474 VanDerWaalsContact O-N 3.1Å
473	K	35.9	Very low	39.2	Very low	204 Å²	204	127 Å²	127	89%	0.887	70%	0.703	S	S	*	*			trans	-44.4	120.5	179	-72.7	-176.7	178.3	177.2	0	109.6	K471 S475	K471-K473 PolarHBondContact O-N 3.33Å; K471-K473 VanDerWaalsContact O-N 3.09Å; K473-S475 PolarHBondContact O-N 3.24Å
474	A	34.3	Very low	39	Very low	98 Å²	98	125.8 Å²	125.8	81%	0.81	70%	0.699	S	S	*	*			trans	-70.7	83.9	-153.2	0	0	0	0	0	113.9	L472 K476	L472-A474 PolarHBondContact O-N 3.07Å; L472-A474 VanDerWaalsContact O-N 3.1Å; A474-K476 PolarHBondContact O-N 3.2Å
475	S	43.5	Very low	39.4	Very low	80 Å²	80	124.2 Å²	124.2	56%	0.559	70%	0.7	S	S	*	*			trans	-59.2	124.3	171.5	179.8	0	0	0	0	110.3	K473 K477 K478	K473-S475 PolarHBondContact O-N 3.24Å; S475-K477 PolarHBondContact O-N 3.04Å; S475-K478 PolarHBondContact O-N 2.73Å
476	K	45	Very low	39.4	Very low	197 Å²	197	125 Å²	125	86%	0.857	70%	0.704	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.1	-13.5	-174.3	-65.8	178.1	177.6	175.8	0	114.5	A474	A474-K476 PolarHBondContact O-N 3.2Å
477	K	48	Very low	40.2	Very low	182 Å²	182	129 Å²	129	79%	0.791	72%	0.716	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.7	-31.8	170.7	-81.3	-177.5	173.9	176.2	0	114.1	S475 K480	S475-K477 PolarHBondContact O-N 3.04Å; K477-K480 PolarHBondContact O-N 3.04Å
478	K	45.3	Very low	40.3	Very low	119 Å²	119	127.8 Å²	127.8	52%	0.517	72%	0.722	S	S	.	*	G	3₁₀ helix	trans	-75.2	-28.4	-170.6	-140.4	178	-174.7	-174	0	113.2	S475 K480 M481	S475-K478 PolarHBondContact O-N 2.73Å; K478-K480 PolarHBondContact O-N 3.17Å; K478-K480 VanDerWaalsContact O-N 3.11Å; K478-M481 HydrophobicContact CG-CE 3.91Å; K478-M481 PolarHBondContact O-N 3.4Å
479	A	45.5	Very low	40.5	Very low	87 Å²	87	131.8 Å²	131.8	72%	0.719	72%	0.722	S	S	*	*	G	3₁₀ helix	trans	-68.9	-0.6	176.5	0	0	0	0	0	115
480	K	48.8	Very low	40.7	Very low	190 Å²	190	137.8 Å²	137.8	83%	0.826	72%	0.72	S	S	*	*	G	3₁₀ helix	trans	-117.1	13.8	177.5	-65	-169.3	175.6	-172.6	0	113.7	K477 K478	K477-K480 PolarHBondContact O-N 3.04Å; K478-K480 PolarHBondContact O-N 3.17Å; K478-K480 VanDerWaalsContact O-N 3.11Å
481	M	40.5	Very low	41.1	Very low	89 Å²	89	137 Å²	137	44%	0.438	72%	0.72	S	S	.	*	S	Bend	trans	-87.7	138.5	174.5	-64.8	-154.9	-53.2	0	0	111.5	K478 S483 A484	K478-M481 HydrophobicContact CG-CE 3.91Å; K478-M481 PolarHBondContact O-N 3.4Å; M481-S483 PolarHBondContact O-N 3.43Å; M481-A484 WeakPolarHBondContact O-CB 3.44Å; M481-A484 PolarHBondContact O-N 2.76Å
482	P	37.3	Very low	41.8	Very low	110 Å²	110	132 Å²	132	71%	0.714	70%	0.696	S	S	*	*	G	3₁₀ helix	trans	-57.3	-21.2	179.3	-27.6	35.6	0	0	0	115.3	A484 T485 T486	P482-A484 PolarHBondContact O-N 2.63Å; P482-T485 PolarHBondContact O-N 3.18Å; P482-T486 PolarHBondContact O-OG1 3.11Å
483	S	41.1	Very low	42.3	Very low	91 Å²	91	129.6 Å²	129.6	64%	0.636	70%	0.699	S	S	*	*	G	3₁₀ helix	trans	-73.4	-0.1	176.1	65.2	0	0	0	0	114.6	M481	M481-S483 PolarHBondContact O-N 3.43Å
484	A	41	Very low	42.8	Very low	71 Å²	71	128.8 Å²	128.8	59%	0.587	70%	0.695	S	S	*	*	G	3₁₀ helix	trans	-83.6	-14.9	172.5	0	0	0	0	0	112.8	M481 P482	M481-A484 WeakPolarHBondContact O-CB 3.44Å; M481-A484 PolarHBondContact O-N 2.76Å; P482-A484 PolarHBondContact O-N 2.63Å
485	T	49.9	Very low	43.7	Very low	119 Å²	119	127.1 Å²	127.1	73%	0.73	69%	0.688	S	S	*	*	S	Bend	trans	-134	82.5	-178.2	51.8	0	0	0	0	109.4	P482	P482-T485 PolarHBondContact O-N 3.18Å
486	T	37.1	Very low	44.5	Very low	105 Å²	105	125.4 Å²	125.4	64%	0.644	67%	0.671	S	S	*	*			trans	-156.9	104.6	169.3	-17.1	0	0	0	0	111.4	P482 S488	P482-T486 PolarHBondContact O-OG1 3.11Å; T486-S488 PolarHBondContact O-N 3.42Å
487	E	47.6	Very low	44.5	Very low	196 Å²	196	120.8 Å²	120.8	92%	0.916	67%	0.67	S	S	*	*			trans	-60.9	128	153.4	-62.2	172.7	153.7	0	0	107.2
488	S	34.9	Very low	44.5	Very low	92 Å²	92	118.3 Å²	118.3	64%	0.643	67%	0.674	S	S	*	*			trans	-118.2	103	-171.8	64.7	0	0	0	0	113.2	T486 R490	T486-S488 PolarHBondContact O-N 3.42Å; S488-R490 PolarHBondContact O-N 2.76Å
489	H	38.6	Very low	45	Very low	194 Å²	194	114.5 Å²	114.5	90%	0.898	66%	0.661	S	S	*	*			trans	-56.2	123.8	147.5	-93	-100.8	0	0	0	107.8	D491	H489-D491 PolarHBondContact O-N 3.37Å; H489-D491 VanDerWaalsContact O-N 3.09Å
490	R	41.1	Very low	45.4	Very low	205 Å²	205	112.6 Å²	112.6	77%	0.774	65%	0.649	S	S	*	*			trans	-75.5	100	-172.8	-71.9	-177.4	175.6	172.9	-0.7	111.5	S488	S488-R490 PolarHBondContact O-N 2.76Å
491	D	41.1	Very low	45.9	Very low	142 Å²	142	108.8 Å²	108.8	76%	0.759	63%	0.63	S	S	*	*			trans	-76.6	129.1	164.4	173.2	31	0	0	0	110.7	H489 G493	H489-D491 PolarHBondContact O-N 3.37Å; H489-D491 VanDerWaalsContact O-N 3.09Å; D491-G493 PolarHBondContact O-N 3.25Å; D491-G493 PolarHBondContact OD1-N 3.38Å
492	W	46.5	Very low	47.1	Very low	91 Å²	91	108.7 Å²	108.7	35%	0.345	63%	0.634	S	S	.	*			trans	-79.8	25.2	-180	-68.6	102.9	0	0	0	113.5	K494 M496 V499 P704 A709	W492-K494 PolarHBondContact O-N 3.22Å; W492-M496 HydrophobicContact CE3-SD 4.16Å; W492-M496 HydrophobicContact CH2-SD 4.47Å; W492-M496 HydrophobicContact CZ3-CE 4.29Å; W492-M496 HydrophobicContact CZ3-SD 3.63Å; W492-V499 HydrophobicContact CH2-CG1 4.28Å; W492-V499 HydrophobicContact CZ3-CG1 4.25Å; W492-V499 HydrophobicContact CZ3-CG2 4.19Å; W492-P704 PolarHBondContact NE1-O 3.2Å; W492-A709 HydrophobicContact CB-CB 4.2Å
493	G	44.5	Very low	48.2	Very low	60 Å²	60	109.9 Å²	109.9	62%	0.619	63%	0.628	S	S	*	*			trans	-71	3.6	175.1	0	0	0	0	0	116	D491	D491-G493 PolarHBondContact O-N 3.25Å; D491-G493 PolarHBondContact OD1-N 3.38Å
494	K	47	Very low	49.1	Very low	186 Å²	186	109.5 Å²	109.5	81%	0.809	62%	0.616	S	S	*	*	S	Bend	trans	-135.7	130.3	174.9	-63.2	175.7	-173.5	169.6	0	109	W492	W492-K494 PolarHBondContact O-N 3.22Å
495	G	54.2	Low	49.9	Very low	64 Å²	64	106.5 Å²	106.5	66%	0.66	59%	0.591	S	S	*	*			trans	-74.8	171.2	-165.1	0	0	0	0	0	116.4	A497	G495-A497 PolarHBondContact O-N 2.76Å
496	M	60.3	Low	50.6	Low	43 Å²	43	105.4 Å²	105.4	21%	0.212	58%	0.584	C	S	.	*	G	3₁₀ helix	trans	-61.9	2	-169.3	-58	-57.4	-68.1	0	0	117.3	W492 C498 V499 F527 V529 P703	W492-M496 HydrophobicContact CE3-SD 4.16Å; W492-M496 HydrophobicContact CH2-SD 4.47Å; W492-M496 HydrophobicContact CZ3-CE 4.29Å; W492-M496 HydrophobicContact CZ3-SD 3.63Å; M496-C498 VanDerWaalsContact C-N 3.3Å; M496-C498 PolarHBondContact O-N 2.81Å; M496-V499 HydrophobicContact CE-CB 4.07Å; M496-V499 HydrophobicContact CE-CG1 3.82Å; M496-V499 HydrophobicContact CE-CG2 4.4Å; M496-V499 PolarHBondContact O-N 3Å; M496-V499 HydrophobicContact SD-CG2 4.25Å; M496-F527 HydrophobicContact CB-CD1 4.3Å; M496-F527 HydrophobicContact CB-CE1 4.3Å; M496-F527 HydrophobicContact CE-CD2 4.28Å; M496-F527 HydrophobicContact CE-CG 4.49Å; M496-F527 HydrophobicContact CG-CD1 4Å; M496-F527 HydrophobicContact CG-CD2 4.11Å; M496-F527 HydrophobicContact CG-CE1 3.77Å; M496-F527 HydrophobicContact CG-CE2 3.87Å; M496-F527 HydrophobicContact CG-CG 4.17Å; M496-F527 HydrophobicContact CG-CZ 3.7Å; M496-V529 HydrophobicContact CE-CG1 3.86Å; M496-P703 HydrophobicContact CE-CG 4.2Å
497	A	43.9	Very low	51.9	Low	100 Å²	100	105.6 Å²	105.6	83%	0.826	58%	0.58	S	S	*	*	G	3₁₀ helix	trans	-65.5	-27.2	-169.5	0	0	0	0	0	114.7	G495	G495-A497 PolarHBondContact O-N 2.76Å
498	C	49.2	Very low	52.2	Low	130 Å²	130	97 Å²	97	88%	0.878	54%	0.541	S	S	*	.	G	3₁₀ helix	trans	-123.7	24.8	-179.1	-53.9	0	0	0	0	112.3	M496	M496-C498 VanDerWaalsContact C-N 3.3Å; M496-C498 PolarHBondContact O-N 2.81Å
499	V	55.9	Low	53	Low	40 Å²	40	96.2 Å²	96.2	24%	0.242	53%	0.533	C	S	.	.			trans	-92.2	118	-173.5	176.2	0	0	0	0	110.3	W492 M496	W492-V499 HydrophobicContact CH2-CG1 4.28Å; W492-V499 HydrophobicContact CZ3-CG1 4.25Å; W492-V499 HydrophobicContact CZ3-CG2 4.19Å; M496-V499 HydrophobicContact CE-CB 4.07Å; M496-V499 HydrophobicContact CE-CG1 3.82Å; M496-V499 HydrophobicContact CE-CG2 4.4Å; M496-V499 PolarHBondContact O-N 3Å; M496-V499 HydrophobicContact SD-CG2 4.25Å
500	G	52.3	Low	53.9	Low	46 Å²	46	89.4 Å²	89.4	47%	0.474	51%	0.508	S	S	.	.			trans	-73.4	177.1	171	0	0	0	0	0	112.7
501	R	59.9	Low	55.1	Low	111 Å²	111	82.5 Å²	82.5	42%	0.419	49%	0.486	S	S	.	.			trans	-63.6	143.5	177.4	-61.2	-178.4	-71.2	177.3	11	110.9	E504 V529 E533 H540	R501-E504 IonicContact CZ-OE1 3.63Å; R501-E504 IonicContact CZ-OE2 2.64Å; R501-E504 IonicContact NH1-OE1 2.65Å; R501-E504 PolarHBondContact NH1-OE1 3.28Å; R501-E504 IonicContact NH1-OE2 2.69Å; R501-E504 PolarHBondContact NH1-OE2 2.79Å; R501-E504 IonicContact NH2-OE1 3.89Å; R501-E504 IonicContact NH2-OE2 2.68Å; R501-E504 PolarHBondContact NH2-OE2 2.7Å; R501-V529 HydrophobicContact CG-CG2 4.31Å; R501-E533 HydrophobicContact CB-CG 4.36Å; R501-H540 VanDerWaalsContact CG-CE1 3.48Å; R501-H540 WeakPolarHBondContact CG-CE1 3.14Å; R501-H540 WeakPolarHBondContact CG-NE2 3.14Å
502	T	65.3	Low	56.7	Low	86 Å²	86	78 Å²	78	53%	0.528	46%	0.46	S	S	.	.	S	Bend	trans	-94.8	-13.6	169.1	65.8	0	0	0	0	112.9	E533	T502-E533 WeakPolarHBondContact CB-OE1 3.11Å; T502-E533 PolarHBondContact N-OE1 3.29Å; T502-E533 PolarHBondContact OG1-OE1 3.09Å
503	K	60.8	Low	58.4	Low	136 Å²	136	76.2 Å²	76.2	59%	0.591	45%	0.454	S	S	*	.	S	Bend	trans	-159.1	162.6	178.7	61.1	-170.4	177.4	-179.4	0	110.1	E533	K503-E533 HydrophobicContact CD-CB 4.37Å; K503-E533 WeakPolarHBondContact CE-OE2 3.13Å; K503-E533 HydrophobicContact CG-CB 3.71Å; K503-E533 HydrophobicContact CG-CG 3.78Å; K503-E533 WeakPolarHBondContact O-CG 3.29Å
504	E	61.1	Low	60.4	Low	83 Å²	83	73.7 Å²	73.7	39%	0.388	43%	0.428	S	S	.	.			trans	-118.2	142.5	172.8	171.8	114.2	-127.1	0	0	109.4	R501 T506 R538	R501-E504 IonicContact CZ-OE1 3.63Å; R501-E504 IonicContact CZ-OE2 2.64Å; R501-E504 IonicContact NH1-OE1 2.65Å; R501-E504 PolarHBondContact NH1-OE1 3.28Å; R501-E504 IonicContact NH1-OE2 2.69Å; R501-E504 PolarHBondContact NH1-OE2 2.79Å; R501-E504 IonicContact NH2-OE1 3.89Å; R501-E504 IonicContact NH2-OE2 2.68Å; R501-E504 PolarHBondContact NH2-OE2 2.7Å; E504-T506 HydrophobicContact CG-CG2 4.45Å; E504-T506 PolarHBondContact O-N 2.69Å; E504-T506 VanDerWaalsContact O-N 3.16Å; E504-R538 IonicContact OE1-CZ 3.16Å; E504-R538 IonicContact OE1-NH1 2.72Å; E504-R538 PolarHBondContact OE1-NH1 3.16Å
505	C	56.2	Low	62.4	Low	8 Å²	8	68.1 Å²	68.1	5%	0.054	41%	0.411	C	S	.	.			trans	-70.7	105.2	167.8	-177	0	0	0	0	110.3	E533 G535 R538	C505-E533 PolarHBondContact N-O 2.94Å; C505-G535 VanDerWaalsContact CB-N 3.34Å; C505-R538 PolarHBondContact O-NH1 3.43Å; C505-R538 PolarHBondContact O-NH2 3.5Å
506	T	65.7	Low	63.9	Low	96 Å²	96	65.3 Å²	65.3	59%	0.589	38%	0.38	S	S	*	.			trans	-101.6	10.2	172.3	68.5	0	0	0	0	112.7	E504 V508	E504-T506 HydrophobicContact CG-CG2 4.45Å; E504-T506 PolarHBondContact O-N 2.69Å; E504-T506 VanDerWaalsContact O-N 3.16Å; T506-V508 VanDerWaalsContact C-N 3.32Å
507	I	63.6	Low	65.1	Low	109 Å²	109	66.6 Å²	66.6	56%	0.559	39%	0.392	S	S	*	.	S	Bend	trans	-72.1	-32.2	-179.5	-55.9	174.8	0	0	0	110.4	P517	I507-P517 HydrophobicContact CG2-CB 3.93Å; I507-P517 HydrophobicContact CG2-CG 4.08Å
508	V	54.2	Low	67.1	Low	16 Å²	16	65.4 Å²	65.4	10%	0.097	39%	0.39	C	S	.	.	S	Bend	trans	-143.6	157	177.2	-67.3	0	0	0	0	108.8	T506 H512 I516 P517 R538	T506-V508 VanDerWaalsContact C-N 3.32Å; V508-H512 HydrophobicContact CB-CB 3.77Å; V508-H512 HydrophobicContact CG2-CB 3.79Å; V508-I516 HydrophobicContact CG2-CD1 3.67Å; V508-I516 HydrophobicContact CG2-CG2 4.36Å; V508-P517 HydrophobicContact CG1-CG 3.96Å; V508-R538 PolarHBondContact O-NH2 2.57Å
509	P	50.8	Low	69.3	Low	74 Å²	74	60.9 Å²	60.9	48%	0.481	36%	0.357	S	S	.	.			trans	-66.5	176.4	-179.8	26.9	-35.7	0	0	0	113.4	H512 R538	P509-H512 HydrophobicContact CG-CB 4.25Å; P509-H512 WeakPolarHBondContact O-CB 3.25Å; P509-H512 PolarHBondContact O-N 3.12Å; P509-R538 PolarHBondContact O-NH2 3.25Å
510	S	58.5	Low	71.2	Confident	51 Å²	51	60.3 Å²	60.3	36%	0.357	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-37.2	-179.5	53.8	0	0	0	0	112.9	H512 H545	S510-H512 VanDerWaalsContact C-N 3.3Å; S510-H512 PolarHBondContact O-N 3.01Å; S510-H545 PolarHBondContact O-CE1 2.56Å; S510-H545 VanDerWaalsContact O-CE1 3.24Å
511	N	66.2	Low	73.4	Confident	60 Å²	60	58.3 Å²	58.3	32%	0.321	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.6	18.5	176.5	62.3	-54.4	0	0	0	114.7	Y513 Y553	N511-Y513 PolarHBondContact O-N 3.11Å; N511-Y553 VanDerWaalsContact CA-CE1 3.49Å; N511-Y553 VanDerWaalsContact CA-CZ 3.5Å; N511-Y553 HydrophobicContact CB-CD1 4.47Å; N511-Y553 HydrophobicContact CB-CE1 3.67Å; N511-Y553 HydrophobicContact CB-CE2 4.13Å; N511-Y553 VanDerWaalsContact CB-CZ 3.49Å; N511-Y553 WeakPolarHBondContact CB-OH 3.38Å; N511-Y553 VanDerWaalsContact O-CD1 3.3Å; N511-Y553 WeakPolarHBondContact O-CD1 3.19Å; N511-Y553 WeakPolarHBondContact O-CE1 3.41Å
512	H	74.6	Confident	75.2	Confident	48 Å²	48	53.2 Å²	53.2	22%	0.222	31%	0.314	C	S	.	.			trans	-64.9	131.3	-179.7	-178.8	69.1	0	0	0	112.7	V508 P509 S510 P515 R629	V508-H512 HydrophobicContact CB-CB 3.77Å; V508-H512 HydrophobicContact CG2-CB 3.79Å; P509-H512 HydrophobicContact CG-CB 4.25Å; P509-H512 WeakPolarHBondContact O-CB 3.25Å; P509-H512 PolarHBondContact O-N 3.12Å; S510-H512 VanDerWaalsContact C-N 3.3Å; S510-H512 PolarHBondContact O-N 3.01Å; H512-P515 PolarHBondContact CD2-O 2.87Å; H512-P515 PolarHBondContact NE2-O 3.45Å; H512-R629 PolarHBondContact O-NH1 2.92Å; H512-R629 PolarHBondContact O-NH2 3.36Å
513	Y	82.4	Confident	76.7	Confident	54 Å²	54	49.8 Å²	49.8	21%	0.212	29%	0.293	C	S	.	.			trans	-99	151.1	174.7	-76.3	-76.9	0	0	0	112	N511 D550 G551 Y553 K626	N511-Y513 PolarHBondContact O-N 3.11Å; Y513-D550 WeakPolarHBondContact CE2-OD1 3.26Å; Y513-D550 PolarHBondContact OH-OD1 2.94Å; Y513-D550 PolarHBondContact OH-OD2 3.36Å; Y513-G551 WeakPolarHBondContact OH-CA 3.17Å; Y513-G551 PolarHBondContact OH-N 3Å; Y513-Y553 AromaticContact CD1-CD1 3.97Å; Y513-Y553 HydrophobicContact CD1-CD1 3.97Å; Y513-Y553 HydrophobicContact CD2-CD1 4.14Å; Y513-Y553 HydrophobicContact CD2-CE1 4.2Å; Y513-Y553 AromaticContact CE1-CD1 3.67Å; Y513-Y553 HydrophobicContact CE1-CD1 3.67Å; Y513-Y553 AromaticContact CE1-CE1 3.99Å; Y513-Y553 HydrophobicContact CE1-CE1 3.99Å; Y513-Y553 AromaticContact CE2-CD1 3.87Å; Y513-Y553 HydrophobicContact CE2-CD1 3.87Å; Y513-Y553 AromaticContact CE2-CE1 3.56Å; Y513-Y553 HydrophobicContact CE2-CE1 3.56Å; Y513-Y553 HydrophobicContact CG-CD1 4.19Å; Y513-Y553 AromaticContact CZ-CD1 3.61Å; Y513-Y553 AromaticContact CZ-CE1 3.43Å; Y513-Y553 VanDerWaalsContact CZ-CE1 3.43Å; Y513-K626 HydrophobicContact CD1-CB 4.21Å; Y513-K626 HydrophobicContact CE1-CB 3.92Å; Y513-K626 HydrophobicContact CE1-CD 3.89Å; Y513-K626 HydrophobicContact CE1-CG 4.49Å; Y513-K626 HydrophobicContact CE2-CD 4.34Å
514	G	86.1	Confident	78.5	Confident	6 Å²	6	44.1 Å²	44.1	6%	0.062	27%	0.27	C	S	.	.	S	Bend	trans	79.5	-165.9	-179.5	0	0	0	0	0	113.6	R629	G514-R629 WeakPolarHBondContact O-CD 3.26Å; G514-R629 WeakPolarHBondContact O-CG 3.49Å; G514-R629 PolarHBondContact O-NH1 2.83Å
515	P	89.2	Confident	80.2	Confident	70 Å²	70	41 Å²	41	46%	0.455	25%	0.254	S	S	.	.	P	Polyproline II helix	trans	-64.6	157.7	-174.3	-23	34.6	0	0	0	113.7	H512 I653	H512-P515 PolarHBondContact CD2-O 2.87Å; H512-P515 PolarHBondContact NE2-O 3.45Å; P515-I653 HydrophobicContact CG-CD1 4.13Å; P515-I653 HydrophobicContact CG-CG1 3.88Å
516	I	85.3	Confident	82	Confident	4 Å²	4	43.1 Å²	43.1	2%	0.021	26%	0.263	C	S	.	.	P	Polyproline II helix	trans	-89	126	167.4	-50.9	-61.1	0	0	0	108.3	V508 G518 I519 V536	V508-I516 HydrophobicContact CG2-CD1 3.67Å; V508-I516 HydrophobicContact CG2-CG2 4.36Å; I516-G518 PolarHBondContact O-N 2.97Å; I516-I519 HydrophobicContact CB-CB 4.13Å; I516-I519 HydrophobicContact CB-CG1 3.98Å; I516-I519 HydrophobicContact CG2-CG1 3.86Å; I516-I519 PolarHBondContact O-N 3.28Å; I516-I519 VanDerWaalsContact O-N 3.11Å; I516-V536 HydrophobicContact CB-CG2 4.47Å; I516-V536 HydrophobicContact CG1-CB 4.34Å; I516-V536 HydrophobicContact CG1-CG2 3.81Å
517	P	86.1	Confident	83.2	Confident	70 Å²	70	40.7 Å²	40.7	46%	0.455	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.3	136	176.2	-25	34.2	0	0	0	112.1	I507 V508 I519	I507-P517 HydrophobicContact CG2-CB 3.93Å; I507-P517 HydrophobicContact CG2-CG 4.08Å; V508-P517 HydrophobicContact CG1-CG 3.96Å; P517-I519 VanDerWaalsContact C-N 3.28Å; P517-I519 PolarHBondContact O-N 2.92Å
518	G	86.2	Confident	84.2	Confident	76 Å²	76	37.6 Å²	37.6	78%	0.784	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	77.3	0.4	-177.2	0	0	0	0	0	116	I516 P520	I516-G518 PolarHBondContact O-N 2.97Å; G518-P520 WeakPolarHBondContact O-CD 3.38Å
519	I	95.3	Very high	85.4	Confident	35 Å²	35	37.5 Å²	37.5	18%	0.179	23%	0.225	C	C	.	.			trans	-116.2	86.8	179.5	-51	-63.2	0	0	0	110.5	I516 P517 T523 W525 V536 Y650	I516-I519 HydrophobicContact CB-CB 4.13Å; I516-I519 HydrophobicContact CB-CG1 3.98Å; I516-I519 HydrophobicContact CG2-CG1 3.86Å; I516-I519 PolarHBondContact O-N 3.28Å; I516-I519 VanDerWaalsContact O-N 3.11Å; P517-I519 VanDerWaalsContact C-N 3.28Å; P517-I519 PolarHBondContact O-N 2.92Å; I519-T523 HydrophobicContact CG2-CG2 4.25Å; I519-W525 HydrophobicContact CG2-CH2 3.59Å; I519-W525 HydrophobicContact CG2-CZ2 3.69Å; I519-V536 HydrophobicContact CB-CG2 4.43Å; I519-V536 HydrophobicContact CG2-CG2 3.74Å; I519-Y650 HydrophobicContact CG2-CD1 4.37Å; I519-Y650 WeakPolarHBondContact O-CE1 3.2Å
520	P	96.3	Very high	87.2	Confident	28 Å²	28	34.6 Å²	34.6	18%	0.182	21%	0.205	C	C	.	.			trans	-70.9	156.1	-179.3	29.8	-36.2	0	0	0	112.7	G518 G522 T523 L696 L698	G518-P520 WeakPolarHBondContact O-CD 3.38Å; P520-G522 PolarHBondContact O-N 2.75Å; P520-T523 WeakPolarHBondContact CD-OG1 3.41Å; P520-T523 WeakPolarHBondContact O-CB 3.48Å; P520-T523 PolarHBondContact O-N 3.34Å; P520-T523 VanDerWaalsContact O-N 3.11Å; P520-T523 PolarHBondContact O-OG1 3.41Å; P520-L696 HydrophobicContact CB-CD1 4.15Å; P520-L696 HydrophobicContact CG-CD1 4.21Å; P520-L698 HydrophobicContact CG-CD1 3.97Å; P520-L698 HydrophobicContact CG-CD2 4.18Å
521	V	98.4	Very high	88.8	Confident	4 Å²	4	32.2 Å²	32.2	2%	0.024	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.1	132.2	168.7	172.8	0	0	0	0	110.3	Y650 G652 E681 P684	V521-Y650 HydrophobicContact CG2-CD1 4.21Å; V521-Y650 HydrophobicContact CG2-CE1 3.81Å; V521-G652 VanDerWaalsContact CG2-CA 3.44Å; V521-E681 HydrophobicContact CB-CB 3.99Å; V521-E681 WeakPolarHBondContact CB-OE2 3.06Å; V521-E681 HydrophobicContact CG2-CB 3.9Å; V521-E681 HydrophobicContact CG2-CG 4.39Å; V521-E681 VanDerWaalsContact CG2-OE2 3.26Å; V521-E681 WeakPolarHBondContact CG2-OE2 3.48Å; V521-E681 PolarHBondContact N-OE2 3.31Å; V521-P684 HydrophobicContact CG1-CG 3.54Å
522	G	97.1	Very high	89.4	Confident	3 Å²	3	29.3 Å²	29.3	3%	0.031	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	101.1	-15.6	-171	0	0	0	0	0	114.3	P520 T524 Y650	P520-G522 PolarHBondContact O-N 2.75Å; G522-T524 PolarHBondContact O-N 2.94Å; G522-T524 PolarHBondContact O-OG1 3.43Å; G522-Y650 PolarHBondContact N-O 3.36Å
523	T	98	Very high	89.8	Confident	15 Å²	15	28 Å²	28	9%	0.092	17%	0.166	C	C	.	.			trans	-60.2	130.2	176.2	-55.1	0	0	0	0	110.3	I519 P520 W525 R649 Y650	I519-T523 HydrophobicContact CG2-CG2 4.25Å; P520-T523 WeakPolarHBondContact CD-OG1 3.41Å; P520-T523 WeakPolarHBondContact O-CB 3.48Å; P520-T523 PolarHBondContact O-N 3.34Å; P520-T523 VanDerWaalsContact O-N 3.11Å; P520-T523 PolarHBondContact O-OG1 3.41Å; T523-W525 HydrophobicContact CG2-CD2 4.47Å; T523-W525 HydrophobicContact CG2-CH2 3.65Å; T523-W525 HydrophobicContact CG2-CZ2 3.34Å; T523-W525 HydrophobicContact CG2-CZ3 4.35Å; T523-W525 VanDerWaalsContact O-CZ3 3.29Å; T523-W525 WeakPolarHBondContact O-CZ3 3.35Å; T523-R649 WeakPolarHBondContact O-CA 3.46Å; T523-Y650 PolarHBondContact O-N 2.98Å
524	T	97.9	Very high	90	Very high	17 Å²	17	26.1 Å²	26.1	10%	0.104	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	134.6	-170.8	-56.2	0	0	0	0	111.9	G522 E646 N648 R649 V700 Q701	G522-T524 PolarHBondContact O-N 2.94Å; G522-T524 PolarHBondContact O-OG1 3.43Å; T524-E646 WeakPolarHBondContact CG2-O 3.29Å; T524-N648 CarbonylContact C-O 3.48Å; T524-N648 VanDerWaalsContact CA-O 3.32Å; T524-N648 WeakPolarHBondContact CA-O 3.42Å; T524-R649 HydrophobicContact CG2-CB 4.3Å; T524-R649 VanDerWaalsContact OG1-CG 3.29Å; T524-R649 WeakPolarHBondContact OG1-CG 3.3Å; T524-V700 HydrophobicContact CG2-CG1 4.41Å; T524-V700 HydrophobicContact CG2-CG2 4Å; T524-Q701 WeakPolarHBondContact O-CB 3.3Å; T524-Q701 PolarHBondContact O-N 3.38Å
525	W	97.2	Very high	89.5	Confident	17 Å²	17	25.8 Å²	25.8	6%	0.064	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	139.8	177.6	-49.1	-98.6	0	0	0	112.3	I519 T523 F527 Q530 V531 A534 V536 G647 N648 Q701	I519-W525 HydrophobicContact CG2-CH2 3.59Å; I519-W525 HydrophobicContact CG2-CZ2 3.69Å; T523-W525 HydrophobicContact CG2-CD2 4.47Å; T523-W525 HydrophobicContact CG2-CH2 3.65Å; T523-W525 HydrophobicContact CG2-CZ2 3.34Å; T523-W525 HydrophobicContact CG2-CZ3 4.35Å; T523-W525 VanDerWaalsContact O-CZ3 3.29Å; T523-W525 WeakPolarHBondContact O-CZ3 3.35Å; W525-F527 PolarHBondContact O-N 3.32Å; W525-Q530 HydrophobicContact CB-CB 3.75Å; W525-Q530 HydrophobicContact CG-CB 3.97Å; W525-V531 HydrophobicContact CB-CG2 4.21Å; W525-V531 HydrophobicContact CD2-CG2 4.24Å; W525-V531 HydrophobicContact CE3-CG1 4.41Å; W525-V531 HydrophobicContact CE3-CG2 3.87Å; W525-V531 HydrophobicContact CG-CG2 4.43Å; W525-V531 HydrophobicContact CZ3-CG1 4.44Å; W525-A534 HydrophobicContact CZ2-CB 3.72Å; W525-V536 HydrophobicContact CH2-CG2 3.79Å; W525-V536 HydrophobicContact CZ2-CG2 4.26Å; W525-G647 CarbonylContact O-C 3.58Å; W525-G647 WeakPolarHBondContact O-CA 3.29Å; W525-N648 PolarHBondContact N-O 3.15Å; W525-N648 PolarHBondContact O-N 3.3Å; W525-N648 PolarHBondContact O-ND2 3.29Å; W525-Q701 HydrophobicContact CG-CB 4.31Å
526	K	93.8	Very high	89.5	Confident	53 Å²	53	22.5 Å²	22.5	23%	0.23	14%	0.138	C	C	.	.	S	Bend	trans	-61	-38.5	-178.4	-177.5	64.3	176.9	-174.8	0	113.3	E646 N648 V700 Q701 Y702	K526-E646 HydrophobicContact CD-CG 3.85Å; K526-E646 WeakPolarHBondContact CD-OE1 3.39Å; K526-E646 WeakPolarHBondContact CE-OE1 3.32Å; K526-E646 IonicContact NZ-OE1 2.71Å; K526-E646 PolarHBondContact NZ-OE1 2.91Å; K526-N648 PolarHBondContact O-ND2 2.84Å; K526-V700 HydrophobicContact CB-CG1 4.33Å; K526-Q701 PolarHBondContact N-O 2.91Å; K526-Y702 HydrophobicContact CB-CD1 3.73Å; K526-Y702 HydrophobicContact CB-CE1 4.03Å; K526-Y702 HydrophobicContact CB-CG 4.44Å; K526-Y702 HydrophobicContact CD-CD1 4.23Å; K526-Y702 HydrophobicContact CD-CE1 3.75Å; K526-Y702 HydrophobicContact CG-CD1 3.76Å; K526-Y702 HydrophobicContact CG-CE1 3.83Å
527	F	89.4	Confident	89.9	Confident	45 Å²	45	22.3 Å²	22.3	20%	0.197	14%	0.137	C	C	.	.	S	Bend	trans	-127.3	147.6	-174.5	-59.5	-73.7	0	0	0	114.1	M496 W525 V529 Q530 P703 Y706	M496-F527 HydrophobicContact CB-CD1 4.3Å; M496-F527 HydrophobicContact CB-CE1 4.3Å; M496-F527 HydrophobicContact CE-CD2 4.28Å; M496-F527 HydrophobicContact CE-CG 4.49Å; M496-F527 HydrophobicContact CG-CD1 4Å; M496-F527 HydrophobicContact CG-CD2 4.11Å; M496-F527 HydrophobicContact CG-CE1 3.77Å; M496-F527 HydrophobicContact CG-CE2 3.87Å; M496-F527 HydrophobicContact CG-CG 4.17Å; M496-F527 HydrophobicContact CG-CZ 3.7Å; W525-F527 PolarHBondContact O-N 3.32Å; F527-V529 HydrophobicContact CB-CG1 4.05Å; F527-V529 PolarHBondContact O-N 3.05Å; F527-Q530 WeakPolarHBondContact O-CB 3.49Å; F527-Q530 PolarHBondContact O-N 3.44Å; F527-P703 HydrophobicContact CD2-CG 3.58Å; F527-P703 HydrophobicContact CE2-CG 3.85Å; F527-Y706 AromaticContact CE2-CD2 3.96Å; F527-Y706 HydrophobicContact CE2-CD2 3.96Å; F527-Y706 AromaticContact CE2-CE2 3.73Å; F527-Y706 HydrophobicContact CE2-CE2 3.73Å; F527-Y706 HydrophobicContact CE2-CG 4.5Å; F527-Y706 HydrophobicContact CZ-CD2 4.27Å; F527-Y706 AromaticContact CZ-CE2 3.6Å; F527-Y706 HydrophobicContact CZ-CE2 3.6Å; F527-Y706 AromaticContact CZ-CZ 3.86Å
528	R	84.7	Confident	89.6	Confident	44 Å²	44	20.1 Å²	20.1	17%	0.166	12%	0.119	C	C	.	.	H	α-helix	trans	-54.1	-33.8	177.5	-80.6	-74.3	-61.3	-89.3	-1.4	114.3	Q530 V531 S532 H537 P539 H540 V541 G542	R528-Q530 VanDerWaalsContact C-N 3.29Å; R528-Q530 PolarHBondContact O-N 3.18Å; R528-V531 WeakPolarHBondContact O-CB 3.47Å; R528-V531 PolarHBondContact O-N 3.03Å; R528-S532 PolarHBondContact O-N 2.79Å; R528-H537 PolarHBondContact NH2-CD2 2.81Å; R528-H537 VanDerWaalsContact NH2-CD2 3.29Å; R528-H537 PolarHBondContact NH2-NE2 3.01Å; R528-P539 PolarHBondContact NH2-O 2.99Å; R528-H540 WeakPolarHBondContact CB-O 3.3Å; R528-V541 PolarHBondContact NH1-O 3.06Å; R528-V541 VanDerWaalsContact NH1-O 3.11Å; R528-V541 PolarHBondContact NH2-O 2.75Å; R528-G542 PolarHBondContact NH2-O 2.82Å
529	V	79.2	Confident	89.3	Confident	14 Å²	14	18.1 Å²	18.1	9%	0.085	9%	0.093	C	C	.	.	H	α-helix	trans	-59.7	-39.3	175.2	61.6	0	0	0	0	111.7	M496 R501 F527 V531 S532 E533	M496-V529 HydrophobicContact CE-CG1 3.86Å; R501-V529 HydrophobicContact CG-CG2 4.31Å; F527-V529 HydrophobicContact CB-CG1 4.05Å; F527-V529 PolarHBondContact O-N 3.05Å; V529-V531 VanDerWaalsContact C-N 3.3Å; V529-V531 PolarHBondContact O-N 2.88Å; V529-S532 WeakPolarHBondContact O-CB 3.33Å; V529-S532 PolarHBondContact O-N 3.31Å; V529-S532 VanDerWaalsContact O-N 3.12Å; V529-E533 HydrophobicContact CG2-CG 4.42Å; V529-E533 VanDerWaalsContact O-CG 3.31Å; V529-E533 WeakPolarHBondContact O-CG 3.44Å; V529-E533 PolarHBondContact O-N 3.5Å
530	Q	89.6	Confident	88.1	Confident	13 Å²	13	19.5 Å²	19.5	6%	0.061	10%	0.098	C	C	.	.	H	α-helix	trans	-68.8	-29.4	178.3	-60.3	168.5	-90.8	0	0	112.4	W525 F527 R528 S532 A534 Q701 Y702	W525-Q530 HydrophobicContact CB-CB 3.75Å; W525-Q530 HydrophobicContact CG-CB 3.97Å; F527-Q530 WeakPolarHBondContact O-CB 3.49Å; F527-Q530 PolarHBondContact O-N 3.44Å; R528-Q530 VanDerWaalsContact C-N 3.29Å; R528-Q530 PolarHBondContact O-N 3.18Å; Q530-S532 VanDerWaalsContact C-N 3.3Å; Q530-A534 WeakPolarHBondContact O-CB 3.41Å; Q530-A534 PolarHBondContact O-N 2.93Å; Q530-Q701 PolarHBondContact NE2-O 3.48Å; Q530-Q701 PolarHBondContact OE1-O 3.42Å; Q530-Y702 VanDerWaalsContact NE2-C 3.32Å
531	V	91.3	Very high	87	Confident	0 Å²	0	22.1 Å²	22.1	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-69.8	-30.3	173.8	-167.1	0	0	0	0	111.3	W525 R528 V529 G535 V536 H537 V631 N648	W525-V531 HydrophobicContact CB-CG2 4.21Å; W525-V531 HydrophobicContact CD2-CG2 4.24Å; W525-V531 HydrophobicContact CE3-CG1 4.41Å; W525-V531 HydrophobicContact CE3-CG2 3.87Å; W525-V531 HydrophobicContact CG-CG2 4.43Å; W525-V531 HydrophobicContact CZ3-CG1 4.44Å; R528-V531 WeakPolarHBondContact O-CB 3.47Å; R528-V531 PolarHBondContact O-N 3.03Å; V529-V531 VanDerWaalsContact C-N 3.3Å; V529-V531 PolarHBondContact O-N 2.88Å; V531-G535 PolarHBondContact O-N 2.7Å; V531-V536 HydrophobicContact CG1-CB 4.06Å; V531-V536 HydrophobicContact CG1-CG1 4.38Å; V531-V536 PolarHBondContact O-N 3.47Å; V531-H537 CarbonylContact C-O 3.39Å; V531-H537 HydrophobicContact CG1-CB 4.02Å; V531-H537 PolarHBondContact O-N 2.84Å; V531-V631 HydrophobicContact CG1-CG1 4.34Å; V531-V631 HydrophobicContact CG1-CG2 4.04Å; V531-N648 HydrophobicContact CG2-CB 3.84Å
532	S	80.1	Confident	85.8	Confident	0 Å²	0	23.8 Å²	23.8	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-76.6	-44.3	172.5	176	0	0	0	0	112.5	R528 V529 Q530 A534 G535 H537 R538 H540	R528-S532 PolarHBondContact O-N 2.79Å; V529-S532 WeakPolarHBondContact O-CB 3.33Å; V529-S532 PolarHBondContact O-N 3.31Å; V529-S532 VanDerWaalsContact O-N 3.12Å; Q530-S532 VanDerWaalsContact C-N 3.3Å; S532-A534 PolarHBondContact O-N 3.27Å; S532-G535 PolarHBondContact O-N 2.87Å; S532-H537 VanDerWaalsContact CA-O 3.26Å; S532-H537 WeakPolarHBondContact CA-O 3.33Å; S532-H537 PolarHBondContact N-O 2.9Å; S532-R538 WeakPolarHBondContact CB-O 3.24Å; S532-R538 WeakPolarHBondContact OG-CA 3.18Å; S532-R538 PolarHBondContact OG-O 3.02Å; S532-H540 PolarHBondContact OG-NE2 3.24Å
533	E	82.7	Confident	85.3	Confident	19 Å²	19	24.8 Å²	24.8	9%	0.089	14%	0.142	C	C	.	.	H	α-helix	trans	-56.2	-31.8	171	-71	178.7	169.9	0	0	112.4	R501 T502 K503 C505 V529	R501-E533 HydrophobicContact CB-CG 4.36Å; T502-E533 WeakPolarHBondContact CB-OE1 3.11Å; T502-E533 PolarHBondContact N-OE1 3.29Å; T502-E533 PolarHBondContact OG1-OE1 3.09Å; K503-E533 HydrophobicContact CD-CB 4.37Å; K503-E533 WeakPolarHBondContact CE-OE2 3.13Å; K503-E533 HydrophobicContact CG-CB 3.71Å; K503-E533 HydrophobicContact CG-CG 3.78Å; K503-E533 WeakPolarHBondContact O-CG 3.29Å; C505-E533 PolarHBondContact N-O 2.94Å; V529-E533 HydrophobicContact CG2-CG 4.42Å; V529-E533 VanDerWaalsContact O-CG 3.31Å; V529-E533 WeakPolarHBondContact O-CG 3.44Å; V529-E533 PolarHBondContact O-N 3.5Å
534	A	87.4	Confident	85	Confident	15 Å²	15	24.4 Å²	24.4	12%	0.124	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.6	-1.5	174.2	0	0	0	0	0	114.3	W525 Q530 S532 V536	W525-A534 HydrophobicContact CZ2-CB 3.72Å; Q530-A534 WeakPolarHBondContact O-CB 3.41Å; Q530-A534 PolarHBondContact O-N 2.93Å; S532-A534 PolarHBondContact O-N 3.27Å; A534-V536 HydrophobicContact CB-CG2 4.26Å; A534-V536 PolarHBondContact O-N 3.43Å
535	G	75.2	Confident	84.5	Confident	0 Å²	0	24.8 Å²	24.8	0%	0	14%	0.14	C	C	.	.	S	Bend	trans	74	-16.2	177.8	0	0	0	0	0	115.8	C505 V531 S532 H537	C505-G535 VanDerWaalsContact CB-N 3.34Å; V531-G535 PolarHBondContact O-N 2.7Å; S532-G535 PolarHBondContact O-N 2.87Å; G535-H537 VanDerWaalsContact C-N 3.28Å; G535-H537 PolarHBondContact O-N 3.3Å
536	V	89.1	Confident	83.5	Confident	0 Å²	0	24.4 Å²	24.4	0%	0	14%	0.141	C	C	.	.	S	Bend	trans	-53.5	-46.4	-178.6	-178.6	0	0	0	0	110.8	I516 I519 W525 V531 A534 S554 R629 V631 Y650	I516-V536 HydrophobicContact CB-CG2 4.47Å; I516-V536 HydrophobicContact CG1-CB 4.34Å; I516-V536 HydrophobicContact CG1-CG2 3.81Å; I519-V536 HydrophobicContact CB-CG2 4.43Å; I519-V536 HydrophobicContact CG2-CG2 3.74Å; W525-V536 HydrophobicContact CH2-CG2 3.79Å; W525-V536 HydrophobicContact CZ2-CG2 4.26Å; V531-V536 HydrophobicContact CG1-CB 4.06Å; V531-V536 HydrophobicContact CG1-CG1 4.38Å; V531-V536 PolarHBondContact O-N 3.47Å; A534-V536 HydrophobicContact CB-CG2 4.26Å; A534-V536 PolarHBondContact O-N 3.43Å; V536-S554 WeakPolarHBondContact O-CB 3.17Å; V536-S554 PolarHBondContact O-OG 2.74Å; V536-R629 HydrophobicContact CG1-CB 4.47Å; V536-R629 PolarHBondContact O-NE 3.44Å; V536-V631 HydrophobicContact CG1-CG2 3.58Å; V536-Y650 HydrophobicContact CG1-CD2 3.74Å; V536-Y650 HydrophobicContact CG1-CE2 4.35Å; V536-Y650 HydrophobicContact CG1-CG 4.13Å
537	H	93.9	Very high	82.4	Confident	0 Å²	0	25.7 Å²	25.7	0%	0	14%	0.144	C	C	.	.	S	Bend	trans	-147.4	101.9	173.8	-179.9	88.8	0	0	0	110.4	R528 V531 S532 G535 P539 G542 G543 S554 V556 V631	R528-H537 PolarHBondContact NH2-CD2 2.81Å; R528-H537 VanDerWaalsContact NH2-CD2 3.29Å; R528-H537 PolarHBondContact NH2-NE2 3.01Å; V531-H537 CarbonylContact C-O 3.39Å; V531-H537 HydrophobicContact CG1-CB 4.02Å; V531-H537 PolarHBondContact O-N 2.84Å; S532-H537 VanDerWaalsContact CA-O 3.26Å; S532-H537 WeakPolarHBondContact CA-O 3.33Å; S532-H537 PolarHBondContact N-O 2.9Å; G535-H537 VanDerWaalsContact C-N 3.28Å; G535-H537 PolarHBondContact O-N 3.3Å; H537-P539 PolarHBondContact CD2-O 3.28Å; H537-P539 VanDerWaalsContact CD2-O 3.23Å; H537-P539 PolarHBondContact NE2-O 3.46Å; H537-G542 PolarHBondContact NE2-O 2.9Å; H537-G543 PolarHBondContact CE1-O 2.82Å; H537-S554 WeakPolarHBondContact CA-OG 3.38Å; H537-S554 PolarHBondContact ND1-O 2.95Å; H537-S554 PolarHBondContact ND1-OG 3.05Å; H537-V556 HydrophobicContact CB-CG2 4.35Å; H537-V556 VanDerWaalsContact CD2-CG2 3.49Å; H537-V556 WeakPolarHBondContact CD2-CG2 3Å; H537-V631 HydrophobicContact CB-CG2 4.48Å
538	R	78.8	Confident	81.6	Confident	25 Å²	25	25.6 Å²	25.6	9%	0.094	15%	0.149	C	C	.	.			trans	-69.3	-32.9	-170.6	-60.6	-169.6	-170.8	-116	2.7	115.7	E504 C505 V508 P509 S532 H540	E504-R538 IonicContact OE1-CZ 3.16Å; E504-R538 IonicContact OE1-NH1 2.72Å; E504-R538 PolarHBondContact OE1-NH1 3.16Å; C505-R538 PolarHBondContact O-NH1 3.43Å; C505-R538 PolarHBondContact O-NH2 3.5Å; V508-R538 PolarHBondContact O-NH2 2.57Å; P509-R538 PolarHBondContact O-NH2 3.25Å; S532-R538 WeakPolarHBondContact CB-O 3.24Å; S532-R538 WeakPolarHBondContact OG-CA 3.18Å; S532-R538 PolarHBondContact OG-O 3.02Å; R538-H540 PolarHBondContact O-N 3.3Å
539	P	79.9	Confident	80.6	Confident	34 Å²	34	28.8 Å²	28.8	22%	0.221	17%	0.17	C	C	.	.			trans	-63.4	133.6	174.6	-24.8	34.7	0	0	0	112.2	R528 H537 H545	R528-P539 PolarHBondContact NH2-O 2.99Å; H537-P539 PolarHBondContact CD2-O 3.28Å; H537-P539 VanDerWaalsContact CD2-O 3.23Å; H537-P539 PolarHBondContact NE2-O 3.46Å; P539-H545 VanDerWaalsContact CD-CG 3.46Å; P539-H545 HydrophobicContact CG-CB 3.67Å
540	H	70.9	Confident	80.2	Confident	64 Å²	64	30 Å²	30	30%	0.296	18%	0.175	S	C	.	.	S	Bend	trans	-76.7	-25.3	177.5	-71	-168.9	0	0	0	113.4	R501 R528 S532 R538	R501-H540 VanDerWaalsContact CG-CE1 3.48Å; R501-H540 WeakPolarHBondContact CG-CE1 3.14Å; R501-H540 WeakPolarHBondContact CG-NE2 3.14Å; R528-H540 WeakPolarHBondContact CB-O 3.3Å; S532-H540 PolarHBondContact OG-NE2 3.24Å; R538-H540 PolarHBondContact O-N 3.3Å
541	V	71.9	Confident	79.7	Confident	83 Å²	83	29.3 Å²	29.3	50%	0.503	17%	0.172	S	C	.	.	S	Bend	trans	-124	-57	-171.1	-178.3	0	0	0	0	111.7	R528 R586	R528-V541 PolarHBondContact NH1-O 3.06Å; R528-V541 VanDerWaalsContact NH1-O 3.11Å; R528-V541 PolarHBondContact NH2-O 2.75Å; V541-R586 HydrophobicContact CG1-CB 4.13Å
542	G	74.5	Confident	79.8	Confident	38 Å²	38	29.3 Å²	29.3	39%	0.392	17%	0.172	S	C	.	.			trans	-53.3	150.2	-173.8	0	0	0	0	0	114	R528 H537	R528-G542 PolarHBondContact NH2-O 2.82Å; H537-G542 PolarHBondContact NE2-O 2.9Å
543	G	86.8	Confident	80.2	Confident	25 Å²	25	29.5 Å²	29.5	26%	0.258	17%	0.173	S	C	.	.	S	Bend	trans	-75.5	-32.6	-179.1	0	0	0	0	0	113.7	H537 L555 V556 Y573	H537-G543 PolarHBondContact CE1-O 2.82Å; G543-L555 CarbonylContact O-C 3.48Å; G543-L555 WeakPolarHBondContact O-CA 3.31Å; G543-L555 WeakPolarHBondContact O-CB 3.15Å; G543-V556 PolarHBondContact O-N 2.9Å; G543-Y573 WeakPolarHBondContact CA-OH 3.24Å; G543-Y573 PolarHBondContact O-OH 3.42Å
544	I	90.6	Very high	81	Confident	7 Å²	7	28.6 Å²	28.6	4%	0.036	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	148.8	-174.5	-58.2	168.1	0	0	0	109.2	L555 Y573 M599 L603	I544-L555 HydrophobicContact CG1-CB 4.49Å; I544-Y573 HydrophobicContact CD1-CD1 4.48Å; I544-Y573 HydrophobicContact CD1-CE1 3.98Å; I544-Y573 HydrophobicContact CG1-CD1 4.49Å; I544-Y573 HydrophobicContact CG1-CE1 3.67Å; I544-M599 HydrophobicContact CB-CB 3.92Å; I544-M599 HydrophobicContact CB-CG 4.41Å; I544-M599 HydrophobicContact CD1-CB 4.21Å; I544-M599 HydrophobicContact CG2-CB 3.91Å; I544-M599 HydrophobicContact CG2-SD 4.45Å; I544-L603 HydrophobicContact CD1-CB 4.42Å; I544-L603 HydrophobicContact CD1-CD2 3.97Å; I544-L603 HydrophobicContact CG1-CD2 4.44Å
545	H	88.5	Confident	81.4	Confident	25 Å²	25	27.9 Å²	27.9	12%	0.116	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	110.7	173	176.6	-135.9	0	0	0	109	S510 P539 S552 Y553 S554	S510-H545 PolarHBondContact O-CE1 2.56Å; S510-H545 VanDerWaalsContact O-CE1 3.24Å; P539-H545 VanDerWaalsContact CD-CG 3.46Å; P539-H545 HydrophobicContact CG-CB 3.67Å; H545-S552 CarbonylContact O-C 3.44Å; H545-S552 WeakPolarHBondContact O-CA 3.05Å; H545-S552 PolarHBondContact O-OG 3.41Å; H545-Y553 AromaticContact CE1-CD2 3.71Å; H545-Y553 AromaticContact ND1-CD2 3.78Å; H545-Y553 WeakPolarHBondContact O-CD2 3.46Å; H545-Y553 PolarHBondContact O-N 3.23Å; H545-S554 WeakPolarHBondContact CB-O 3.12Å; H545-S554 WeakPolarHBondContact CB-OG 3.46Å; H545-S554 PolarHBondContact N-O 2.83Å; H545-S554 PolarHBondContact ND1-OG 3.32Å; H545-S554 PolarHBondContact O-N 3.02Å
546	G	75.7	Confident	82.5	Confident	9 Å²	9	28 Å²	28	9%	0.093	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-167.8	179.2	-176.1	0	0	0	0	0	113.6	G551 M599	G546-G551 CarbonylContact C-O 3.57Å; G546-G551 WeakPolarHBondContact CA-O 3.02Å; G546-M599 VanDerWaalsContact O-CE 3.3Å; G546-M599 WeakPolarHBondContact O-CE 3.39Å
547	R	69.6	Low	82.7	Confident	80 Å²	80	28.5 Å²	28.5	30%	0.302	17%	0.166	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	136.5	169.7	-67.2	177.9	174.5	157.5	-7.9	110	N549 D550 G551 Y553 A602	R547-N549 WeakPolarHBondContact CB-OD1 3.48Å; R547-N549 PolarHBondContact O-N 2.95Å; R547-N549 VanDerWaalsContact O-N 3.13Å; R547-D550 HydrophobicContact CB-CB 4.3Å; R547-D550 PolarHBondContact O-N 3.4Å; R547-D550 VanDerWaalsContact O-N 3.14Å; R547-G551 PolarHBondContact N-O 2.77Å; R547-G551 PolarHBondContact O-N 2.72Å; R547-Y553 WeakPolarHBondContact CD-OH 3.39Å; R547-Y553 HydrophobicContact CG-CE2 4.29Å; R547-Y553 WeakPolarHBondContact CG-OH 3.46Å; R547-A602 WeakPolarHBondContact O-CB 3.48Å
548	S	73.1	Confident	82.4	Confident	43 Å²	43	29.8 Å²	29.8	30%	0.301	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70	-7.2	-172	53.4	0	0	0	0	115.5	H598 R601 L605	S548-H598 WeakPolarHBondContact CB-O 3.46Å; S548-R601 VanDerWaalsContact O-CD 3.3Å; S548-R601 WeakPolarHBondContact O-CD 3.1Å; S548-R601 PolarHBondContact O-NE 3.46Å; S548-R601 VanDerWaalsContact O-NE 3.07Å; S548-L605 WeakPolarHBondContact O-CD1 3.47Å
549	N	64.3	Low	82.2	Confident	111 Å²	111	30 Å²	30	59%	0.594	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	-111.6	-2.1	176.9	62.9	-19	0	0	0	113.5	R547	R547-N549 WeakPolarHBondContact CB-OD1 3.48Å; R547-N549 PolarHBondContact O-N 2.95Å; R547-N549 VanDerWaalsContact O-N 3.13Å
550	D	70.9	Confident	81.6	Confident	38 Å²	38	30.4 Å²	30.4	20%	0.203	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-130.4	-70.1	-177.4	165.7	25.7	0	0	0	110.6	Y513 R547 Y553 L605 K626	Y513-D550 WeakPolarHBondContact CE2-OD1 3.26Å; Y513-D550 PolarHBondContact OH-OD1 2.94Å; Y513-D550 PolarHBondContact OH-OD2 3.36Å; R547-D550 HydrophobicContact CB-CB 4.3Å; R547-D550 PolarHBondContact O-N 3.4Å; R547-D550 VanDerWaalsContact O-N 3.14Å; D550-Y553 VanDerWaalsContact OD2-CE1 3.27Å; D550-Y553 WeakPolarHBondContact OD2-CE1 3.47Å; D550-Y553 PolarHBondContact OD2-OH 3.23Å; D550-L605 WeakPolarHBondContact O-CB 3.35Å; D550-K626 PolarHBondContact O-NZ 2.94Å; D550-K626 IonicContact OD1-NZ 3.52Å; D550-K626 PolarHBondContact OD1-NZ 2.91Å
551	G	77.9	Confident	81.5	Confident	0 Å²	0	29.1 Å²	29.1	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	164.4	-177.3	179.6	0	0	0	0	0	113.9	Y513 G546 R547 A602	Y513-G551 WeakPolarHBondContact OH-CA 3.17Å; Y513-G551 PolarHBondContact OH-N 3Å; G546-G551 CarbonylContact C-O 3.57Å; G546-G551 WeakPolarHBondContact CA-O 3.02Å; R547-G551 PolarHBondContact N-O 2.77Å; R547-G551 PolarHBondContact O-N 2.72Å; G551-A602 CarbonylContact C-O 3.56Å; G551-A602 WeakPolarHBondContact CA-O 3.46Å
552	S	93.4	Very high	81.2	Confident	0 Å²	0	32.3 Å²	32.3	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	124.9	176	170.9	0	0	0	0	112	H545 A602 N606	H545-S552 CarbonylContact O-C 3.44Å; H545-S552 WeakPolarHBondContact O-CA 3.05Å; H545-S552 PolarHBondContact O-OG 3.41Å; S552-A602 PolarHBondContact N-O 3.22Å; S552-A602 VanDerWaalsContact N-O 3.08Å; S552-N606 WeakPolarHBondContact CA-OD1 3.45Å; S552-N606 VanDerWaalsContact CB-OD1 3.29Å; S552-N606 WeakPolarHBondContact CB-OD1 3.35Å; S552-N606 PolarHBondContact N-OD1 2.96Å; S552-N606 PolarHBondContact O-ND2 2.89Å; S552-N606 PolarHBondContact O-OD1 2.95Å
553	Y	90.1	Very high	81	Confident	4 Å²	4	31.2 Å²	31.2	2%	0.016	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	-33.8	179.9	-43.5	-61	0	0	0	112.3	N511 Y513 H545 R547 D550 R629	N511-Y553 VanDerWaalsContact CA-CE1 3.49Å; N511-Y553 VanDerWaalsContact CA-CZ 3.5Å; N511-Y553 HydrophobicContact CB-CD1 4.47Å; N511-Y553 HydrophobicContact CB-CE1 3.67Å; N511-Y553 HydrophobicContact CB-CE2 4.13Å; N511-Y553 VanDerWaalsContact CB-CZ 3.49Å; N511-Y553 WeakPolarHBondContact CB-OH 3.38Å; N511-Y553 VanDerWaalsContact O-CD1 3.3Å; N511-Y553 WeakPolarHBondContact O-CD1 3.19Å; N511-Y553 WeakPolarHBondContact O-CE1 3.41Å; Y513-Y553 AromaticContact CD1-CD1 3.97Å; Y513-Y553 HydrophobicContact CD1-CD1 3.97Å; Y513-Y553 HydrophobicContact CD2-CD1 4.14Å; Y513-Y553 HydrophobicContact CD2-CE1 4.2Å; Y513-Y553 AromaticContact CE1-CD1 3.67Å; Y513-Y553 HydrophobicContact CE1-CD1 3.67Å; Y513-Y553 AromaticContact CE1-CE1 3.99Å; Y513-Y553 HydrophobicContact CE1-CE1 3.99Å; Y513-Y553 AromaticContact CE2-CD1 3.87Å; Y513-Y553 HydrophobicContact CE2-CD1 3.87Å; Y513-Y553 AromaticContact CE2-CE1 3.56Å; Y513-Y553 HydrophobicContact CE2-CE1 3.56Å; Y513-Y553 HydrophobicContact CG-CD1 4.19Å; Y513-Y553 AromaticContact CZ-CD1 3.61Å; Y513-Y553 AromaticContact CZ-CE1 3.43Å; Y513-Y553 VanDerWaalsContact CZ-CE1 3.43Å; H545-Y553 AromaticContact CE1-CD2 3.71Å; H545-Y553 AromaticContact ND1-CD2 3.78Å; H545-Y553 WeakPolarHBondContact O-CD2 3.46Å; H545-Y553 PolarHBondContact O-N 3.23Å; R547-Y553 WeakPolarHBondContact CD-OH 3.39Å; R547-Y553 HydrophobicContact CG-CE2 4.29Å; R547-Y553 WeakPolarHBondContact CG-OH 3.46Å; D550-Y553 VanDerWaalsContact OD2-CE1 3.27Å; D550-Y553 WeakPolarHBondContact OD2-CE1 3.47Å; D550-Y553 PolarHBondContact OD2-OH 3.23Å; Y553-R629 PolarHBondContact O-N 3.16Å
554	S	97.6	Very high	80.7	Confident	0 Å²	0	30.7 Å²	30.7	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.1	154.3	-176.1	62.8	0	0	0	0	113.2	V536 H537 H545 R629	V536-S554 WeakPolarHBondContact O-CB 3.17Å; V536-S554 PolarHBondContact O-OG 2.74Å; H537-S554 WeakPolarHBondContact CA-OG 3.38Å; H537-S554 PolarHBondContact ND1-O 2.95Å; H537-S554 PolarHBondContact ND1-OG 3.05Å; H545-S554 WeakPolarHBondContact CB-O 3.12Å; H545-S554 WeakPolarHBondContact CB-OG 3.46Å; H545-S554 PolarHBondContact N-O 2.83Å; H545-S554 PolarHBondContact ND1-OG 3.32Å; H545-S554 PolarHBondContact O-N 3.02Å; S554-R629 CarbonylContact C-O 3.53Å; S554-R629 WeakPolarHBondContact CA-O 3.15Å; S554-R629 WeakPolarHBondContact CB-O 3.04Å
555	L	97.7	Very high	80.5	Confident	0 Å²	0	33.5 Å²	33.5	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	166.2	173.2	67.7	72.3	0	0	0	113.5	G543 I544 L557 F571 Y573 L603 V628 R629 V630 V631 L675	G543-L555 CarbonylContact O-C 3.48Å; G543-L555 WeakPolarHBondContact O-CA 3.31Å; G543-L555 WeakPolarHBondContact O-CB 3.15Å; I544-L555 HydrophobicContact CG1-CB 4.49Å; L555-L557 HydrophobicContact CD1-CG 4.43Å; L555-F571 HydrophobicContact CD1-CE2 4.05Å; L555-F571 HydrophobicContact CD1-CZ 3.95Å; L555-F571 HydrophobicContact CD2-CE2 4.37Å; L555-Y573 HydrophobicContact CD1-CD2 4Å; L555-Y573 HydrophobicContact CD1-CE2 3.8Å; L555-Y573 HydrophobicContact CD2-CD1 3.99Å; L555-Y573 HydrophobicContact CD2-CD2 4.13Å; L555-Y573 HydrophobicContact CD2-CE1 4.2Å; L555-Y573 HydrophobicContact CD2-CE2 4.34Å; L555-Y573 HydrophobicContact CD2-CG 3.96Å; L555-L603 HydrophobicContact CD2-CD1 4.23Å; L555-L603 HydrophobicContact CD2-CD2 4.1Å; L555-V628 HydrophobicContact CB-CG1 4.44Å; L555-V628 HydrophobicContact CD2-CG1 4.2Å; L555-V628 HydrophobicContact CG-CG1 3.95Å; L555-R629 PolarHBondContact N-O 3.36Å; L555-V630 HydrophobicContact CD1-CG1 4.15Å; L555-V630 HydrophobicContact CD1-CG2 4.06Å; L555-V630 HydrophobicContact CG-CG2 4.31Å; L555-V631 PolarHBondContact O-N 2.76Å; L555-L675 HydrophobicContact CD2-CD1 4.21Å; L555-L675 HydrophobicContact CD2-CD2 3.88Å
556	V	96.5	Very high	80.8	Confident	3 Å²	3	33.2 Å²	33.2	2%	0.018	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	119.5	177.7	-170.8	0	0	0	0	110.9	H537 G543 A558 Y573 V631	H537-V556 HydrophobicContact CB-CG2 4.35Å; H537-V556 VanDerWaalsContact CD2-CG2 3.49Å; H537-V556 WeakPolarHBondContact CD2-CG2 3Å; G543-V556 PolarHBondContact O-N 2.9Å; V556-A558 HydrophobicContact CG1-CB 4.41Å; V556-Y573 WeakPolarHBondContact O-CE2 3.19Å; V556-Y573 PolarHBondContact O-OH 2.92Å; V556-V631 CarbonylContact C-O 3.58Å; V556-V631 VanDerWaalsContact CA-O 3.29Å; V556-V631 WeakPolarHBondContact CA-O 3.12Å; V556-V631 HydrophobicContact CG1-CG1 4.46Å; V556-V631 HydrophobicContact CG2-CB 4.28Å
557	L	94.4	Very high	81.7	Confident	9 Å²	9	39.7 Å²	39.7	5%	0.047	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	118.7	165.2	-81.8	166.4	0	0	0	108.9	L555 E564 F571 Y573 V630 V631 R632 S633	L555-L557 HydrophobicContact CD1-CG 4.43Å; L557-E564 HydrophobicContact CD2-CG 4.47Å; L557-F571 HydrophobicContact CD1-CD1 3.93Å; L557-F571 HydrophobicContact CD1-CD2 3.89Å; L557-F571 HydrophobicContact CD1-CE1 3.97Å; L557-F571 HydrophobicContact CD1-CE2 3.93Å; L557-F571 HydrophobicContact CD1-CG 3.9Å; L557-F571 HydrophobicContact CD1-CZ 3.97Å; L557-F571 HydrophobicContact CD2-CD2 3.91Å; L557-F571 HydrophobicContact CD2-CE2 4.15Å; L557-F571 HydrophobicContact CG-CD2 4.22Å; L557-F571 HydrophobicContact CG-CE2 4.08Å; L557-F571 HydrophobicContact CG-CZ 4.44Å; L557-Y573 HydrophobicContact CD2-CD2 3.72Å; L557-Y573 HydrophobicContact CD2-CE2 3.98Å; L557-Y573 HydrophobicContact CG-CD2 4.26Å; L557-Y573 HydrophobicContact CG-CE2 4.29Å; L557-V630 HydrophobicContact CD1-CG1 4.14Å; L557-V631 PolarHBondContact N-O 3.05Å; L557-R632 HydrophobicContact CB-CG 4.04Å; L557-R632 HydrophobicContact CD1-CG 3.93Å; L557-S633 PolarHBondContact O-N 2.8Å
558	A	86.9	Confident	82.9	Confident	28 Å²	28	35.9 Å²	35.9	23%	0.231	20%	0.2	C	C	.	.			trans	-135.6	-0.6	-173.5	0	0	0	0	0	115.2	V556 K635 G636	V556-A558 HydrophobicContact CG1-CB 4.41Å; A558-K635 CarbonylContact O-C 3.6Å; A558-K635 WeakPolarHBondContact O-CB 3.11Å; A558-G636 PolarHBondContact O-N 2.7Å
559	G	75.6	Confident	84	Confident	30 Å²	30	37.1 Å²	37.1	31%	0.309	20%	0.204	S	C	.	.	S	Bend	trans	69.2	43.1	-172.6	0	0	0	0	0	111.5	E564	G559-E564 WeakPolarHBondContact CA-OE2 3.24Å; G559-E564 PolarHBondContact N-OE2 2.98Å
560	G	66.9	Low	85.5	Confident	42 Å²	42	33.5 Å²	33.5	43%	0.433	18%	0.183	S	C	.	.			trans	-95.7	-7.5	-176.9	0	0	0	0	0	114.4	E564 R579	G560-E564 PolarHBondContact N-OE2 3.11Å; G560-R579 PolarHBondContact O-NH2 3.5Å
561	F	67.8	Low	86.8	Confident	36 Å²	36	31.7 Å²	31.7	16%	0.158	17%	0.174	C	C	.	.	S	Bend	trans	-141.2	138.3	-176.3	-57.3	-98.6	0	0	0	108.4	D563 E564 T574 G575 H590	F561-D563 PolarHBondContact O-N 2.86Å; F561-E564 HydrophobicContact CB-CG 4.17Å; F561-E564 PolarHBondContact O-N 3.16Å; F561-T574 HydrophobicContact CB-CG2 4.25Å; F561-T574 HydrophobicContact CD1-CG2 3.51Å; F561-T574 HydrophobicContact CE1-CG2 4.01Å; F561-T574 HydrophobicContact CG-CG2 3.95Å; F561-G575 WeakPolarHBondContact CE1-O 3.48Å; F561-G575 WeakPolarHBondContact CZ-O 3.42Å; F561-H590 AromaticContact CD1-NE2 3.48Å; F561-H590 WeakPolarHBondContact CD1-NE2 3.47Å; F561-H590 AromaticContact CE1-CE1 3.95Å; F561-H590 AromaticContact CE1-NE2 3.61Å
562	E	67.2	Low	87.6	Confident	150 Å²	150	32.6 Å²	32.6	70%	0.701	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.8	-10.2	-177.3	-58	-173.7	153.9	0	0	113.1	K665	E562-K665 HydrophobicContact CB-CD 4.16Å; E562-K665 PolarHBondContact O-NZ 2.82Å
563	D	68.8	Low	87.7	Confident	16 Å²	16	32.8 Å²	32.8	9%	0.086	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.1	6.4	-179	-63.6	-44.6	0	0	0	113.6	F561 V565 G664 K665 R672	F561-D563 PolarHBondContact O-N 2.86Å; D563-V565 PolarHBondContact O-N 2.94Å; D563-G664 VanDerWaalsContact OD2-CA 3.31Å; D563-G664 WeakPolarHBondContact OD2-CA 3.17Å; D563-K665 WeakPolarHBondContact OD1-CD 3.43Å; D563-K665 WeakPolarHBondContact OD1-CE 3.33Å; D563-K665 VanDerWaalsContact OD1-CG 3.24Å; D563-K665 WeakPolarHBondContact OD1-CG 3.31Å; D563-K665 IonicContact OD1-NZ 3.67Å; D563-K665 PolarHBondContact OD1-NZ 3Å; D563-K665 PolarHBondContact OD2-N 3.01Å; D563-R672 PolarHBondContact O-NH2 3.19Å
564	E	81.4	Confident	87.8	Confident	14 Å²	14	32.7 Å²	32.7	7%	0.065	18%	0.18	C	C	.	.			trans	-67.4	123.1	165	-82.5	175.3	164.1	0	0	110	L557 G559 G560 F561 T572 I639	L557-E564 HydrophobicContact CD2-CG 4.47Å; G559-E564 WeakPolarHBondContact CA-OE2 3.24Å; G559-E564 PolarHBondContact N-OE2 2.98Å; G560-E564 PolarHBondContact N-OE2 3.11Å; F561-E564 HydrophobicContact CB-CG 4.17Å; F561-E564 PolarHBondContact O-N 3.16Å; E564-T572 WeakPolarHBondContact CA-O 3.29Å; E564-I639 HydrophobicContact CB-CD1 3.72Å
565	V	86.8	Confident	87.3	Confident	65 Å²	65	32.8 Å²	32.8	39%	0.394	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	113.1	176	178.2	0	0	0	0	108.5	D563 F571 T572	D563-V565 PolarHBondContact O-N 2.94Å; V565-F571 CarbonylContact O-C 3.53Å; V565-F571 WeakPolarHBondContact O-CA 3.08Å; V565-F571 WeakPolarHBondContact O-CB 3.42Å; V565-T572 PolarHBondContact N-O 3.36Å; V565-T572 PolarHBondContact O-N 2.93Å
566	D	94.2	Very high	86.7	Confident	19 Å²	19	34.7 Å²	34.7	10%	0.102	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	116.7	-172.6	-176.9	10.1	0	0	0	112.1	G568 F571 R632 S640 Y642	D566-G568 PolarHBondContact OD1-N 3.46Å; D566-F571 HydrophobicContact CB-CB 4.27Å; D566-R632 IonicContact OD1-CZ 3.15Å; D566-R632 IonicContact OD1-NE 2.81Å; D566-R632 PolarHBondContact OD1-NE 2.71Å; D566-R632 IonicContact OD1-NH2 2.65Å; D566-R632 PolarHBondContact OD1-NH2 2.88Å; D566-R632 IonicContact OD2-CZ 2.7Å; D566-R632 IonicContact OD2-NE 3.56Å; D566-R632 PolarHBondContact OD2-NE 3.26Å; D566-R632 IonicContact OD2-NH2 2.66Å; D566-S640 VanDerWaalsContact CG-OG 3.29Å; D566-S640 VanDerWaalsContact OD2-CB 3.26Å; D566-S640 WeakPolarHBondContact OD2-CB 3.37Å; D566-S640 PolarHBondContact OD2-OG 3.07Å; D566-Y642 WeakPolarHBondContact O-CE2 3.41Å
567	R	94.4	Very high	85.8	Confident	145 Å²	145	36.6 Å²	36.6	55%	0.547	21%	0.213	S	C	.	.			trans	-109.6	14.3	178	-52	174	174.5	151.4	-4.3	112.3	D569 E570 Y642	R567-D569 PolarHBondContact O-N 3.3Å; R567-E570 CarbonylContact C-O 3.5Å; R567-E570 VanDerWaalsContact CA-O 3.3Å; R567-E570 WeakPolarHBondContact CA-O 3.45Å; R567-E570 VanDerWaalsContact CB-O 3.24Å; R567-E570 WeakPolarHBondContact CB-O 3.08Å; R567-E570 PolarHBondContact N-O 3.27Å; R567-E570 IonicContact NH1-OE1 3.92Å; R567-E570 PolarHBondContact NH1-OE1 3.38Å; R567-Y642 PolarHBondContact O-OH 3.17Å; R567-Y642 VanDerWaalsContact O-OH 3.07Å
568	G	94.6	Very high	84.9	Confident	0 Å²	0	36.3 Å²	36.3	0%	0	21%	0.213	C	C	.	.	S	Bend	trans	83.4	-87.4	-177.1	0	0	0	0	0	111.3	D566 E570 R632 Y642 Y654	D566-G568 PolarHBondContact OD1-N 3.46Å; G568-E570 PolarHBondContact O-N 3.39Å; G568-R632 PolarHBondContact O-NH2 2.65Å; G568-Y642 VanDerWaalsContact CA-CD1 3.45Å; G568-Y654 WeakPolarHBondContact O-CE1 3.26Å; G568-Y654 PolarHBondContact O-OH 2.81Å
569	D	96.3	Very high	84.2	Confident	70 Å²	70	36.9 Å²	36.9	37%	0.374	21%	0.209	S	C	.	.	S	Bend	trans	-75.8	-9.5	-177.6	-58.7	-70.9	0	0	0	113.5	R567 R676 R677	R567-D569 PolarHBondContact O-N 3.3Å; D569-R676 CarbonylContact O-C 3.55Å; D569-R676 WeakPolarHBondContact O-CA 3.33Å; D569-R677 HydrophobicContact CB-CB 4.25Å; D569-R677 WeakPolarHBondContact O-CB 3.46Å; D569-R677 PolarHBondContact O-N 3.4Å; D569-R677 WeakPolarHBondContact OD1-CD 3.34Å
570	E	97.1	Very high	83.8	Confident	34 Å²	34	38.4 Å²	38.4	16%	0.159	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	140.8	171.5	-175.1	179.6	89.7	0	0	109.9	R567 G568 L674 L675 R676	R567-E570 CarbonylContact C-O 3.5Å; R567-E570 VanDerWaalsContact CA-O 3.3Å; R567-E570 WeakPolarHBondContact CA-O 3.45Å; R567-E570 VanDerWaalsContact CB-O 3.24Å; R567-E570 WeakPolarHBondContact CB-O 3.08Å; R567-E570 PolarHBondContact N-O 3.27Å; R567-E570 IonicContact NH1-OE1 3.92Å; R567-E570 PolarHBondContact NH1-OE1 3.38Å; G568-E570 PolarHBondContact O-N 3.39Å; E570-L674 HydrophobicContact CG-CD1 3.61Å; E570-L674 HydrophobicContact CG-CG 4.38Å; E570-L675 CarbonylContact C-O 3.54Å; E570-L675 VanDerWaalsContact CA-O 3.31Å; E570-L675 WeakPolarHBondContact CA-O 3.35Å; E570-R676 IonicContact OE2-CZ 3.42Å; E570-R676 VanDerWaalsContact OE2-CZ 3.24Å; E570-R676 IonicContact OE2-NE 3.24Å; E570-R676 PolarHBondContact OE2-NE 3.24Å; E570-R676 IonicContact OE2-NH2 3.82Å; E570-R676 PolarHBondContact OE2-NH2 3.45Å
571	F	96.8	Very high	83.6	Confident	1 Å²	1	40.5 Å²	40.5	0%	0.004	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	152	172.8	62.5	-90.9	0	0	0	112.8	L555 L557 V565 D566 Y573 V630 Y654 L675	L555-F571 HydrophobicContact CD1-CE2 4.05Å; L555-F571 HydrophobicContact CD1-CZ 3.95Å; L555-F571 HydrophobicContact CD2-CE2 4.37Å; L557-F571 HydrophobicContact CD1-CD1 3.93Å; L557-F571 HydrophobicContact CD1-CD2 3.89Å; L557-F571 HydrophobicContact CD1-CE1 3.97Å; L557-F571 HydrophobicContact CD1-CE2 3.93Å; L557-F571 HydrophobicContact CD1-CG 3.9Å; L557-F571 HydrophobicContact CD1-CZ 3.97Å; L557-F571 HydrophobicContact CD2-CD2 3.91Å; L557-F571 HydrophobicContact CD2-CE2 4.15Å; L557-F571 HydrophobicContact CG-CD2 4.22Å; L557-F571 HydrophobicContact CG-CE2 4.08Å; L557-F571 HydrophobicContact CG-CZ 4.44Å; V565-F571 CarbonylContact O-C 3.53Å; V565-F571 WeakPolarHBondContact O-CA 3.08Å; V565-F571 WeakPolarHBondContact O-CB 3.42Å; D566-F571 HydrophobicContact CB-CB 4.27Å; F571-Y573 HydrophobicContact CD2-CD2 4.35Å; F571-Y573 AromaticContact CE2-CD2 3.91Å; F571-Y573 HydrophobicContact CE2-CD2 3.91Å; F571-Y573 HydrophobicContact CE2-CG 4.28Å; F571-V630 HydrophobicContact CE1-CG1 3.93Å; F571-V630 HydrophobicContact CE1-CG2 3.96Å; F571-V630 HydrophobicContact CZ-CB 4.48Å; F571-V630 HydrophobicContact CZ-CG1 3.92Å; F571-V630 HydrophobicContact CZ-CG2 3.69Å; F571-Y654 HydrophobicContact CD1-CD1 4.05Å; F571-Y654 AromaticContact CD1-CE1 3.93Å; F571-Y654 HydrophobicContact CD1-CE1 3.93Å; F571-Y654 AromaticContact CE1-CD1 3.47Å; F571-Y654 HydrophobicContact CE1-CD1 3.47Å; F571-Y654 VanDerWaalsContact CE1-CD1 3.47Å; F571-Y654 AromaticContact CE1-CE1 3.61Å; F571-Y654 HydrophobicContact CE1-CE1 3.61Å; F571-Y654 HydrophobicContact CE1-CG 4.01Å; F571-Y654 HydrophobicContact CZ-CD1 4.46Å; F571-L675 HydrophobicContact CD1-CB 4.36Å; F571-L675 HydrophobicContact CD2-CB 4.33Å; F571-L675 HydrophobicContact CE1-CB 3.92Å; F571-L675 HydrophobicContact CE2-CB 3.9Å; F571-L675 HydrophobicContact CE2-CD1 3.92Å; F571-L675 HydrophobicContact CE2-CD2 4.38Å; F571-L675 HydrophobicContact CE2-CG 4.28Å; F571-L675 HydrophobicContact CZ-CB 3.67Å; F571-L675 HydrophobicContact CZ-CD1 4.32Å; F571-L675 HydrophobicContact CZ-CD2 3.97Å; F571-L675 HydrophobicContact CZ-CG 4.19Å; F571-L675 PolarHBondContact N-O 2.76Å; F571-L675 PolarHBondContact O-N 3.39Å
572	T	95.7	Very high	82.7	Confident	18 Å²	18	41.9 Å²	41.9	11%	0.11	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	113.8	168.2	-53.8	0	0	0	0	109	E564 V565 W660 R672 Y673	E564-T572 WeakPolarHBondContact CA-O 3.29Å; V565-T572 PolarHBondContact N-O 3.36Å; V565-T572 PolarHBondContact O-N 2.93Å; T572-W660 HydrophobicContact CG2-CH2 3.8Å; T572-W660 HydrophobicContact CG2-CZ2 4.13Å; T572-R672 HydrophobicContact CG2-CB 4.03Å; T572-Y673 CarbonylContact C-O 3.5Å; T572-Y673 WeakPolarHBondContact CA-O 3.32Å
573	Y	95.6	Very high	81.8	Confident	5 Å²	5	38.5 Å²	38.5	2%	0.02	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	153.6	175.2	-158.3	-106.3	0	0	0	111.1	G543 I544 L555 V556 L557 F571 L603 R672 Y673	G543-Y573 WeakPolarHBondContact CA-OH 3.24Å; G543-Y573 PolarHBondContact O-OH 3.42Å; I544-Y573 HydrophobicContact CD1-CD1 4.48Å; I544-Y573 HydrophobicContact CD1-CE1 3.98Å; I544-Y573 HydrophobicContact CG1-CD1 4.49Å; I544-Y573 HydrophobicContact CG1-CE1 3.67Å; L555-Y573 HydrophobicContact CD1-CD2 4Å; L555-Y573 HydrophobicContact CD1-CE2 3.8Å; L555-Y573 HydrophobicContact CD2-CD1 3.99Å; L555-Y573 HydrophobicContact CD2-CD2 4.13Å; L555-Y573 HydrophobicContact CD2-CE1 4.2Å; L555-Y573 HydrophobicContact CD2-CE2 4.34Å; L555-Y573 HydrophobicContact CD2-CG 3.96Å; V556-Y573 WeakPolarHBondContact O-CE2 3.19Å; V556-Y573 PolarHBondContact O-OH 2.92Å; L557-Y573 HydrophobicContact CD2-CD2 3.72Å; L557-Y573 HydrophobicContact CD2-CE2 3.98Å; L557-Y573 HydrophobicContact CG-CD2 4.26Å; L557-Y573 HydrophobicContact CG-CE2 4.29Å; F571-Y573 HydrophobicContact CD2-CD2 4.35Å; F571-Y573 AromaticContact CE2-CD2 3.91Å; F571-Y573 HydrophobicContact CE2-CD2 3.91Å; F571-Y573 HydrophobicContact CE2-CG 4.28Å; Y573-L603 HydrophobicContact CD1-CD2 3.99Å; Y573-R672 WeakPolarHBondContact O-CA 3.39Å; Y573-Y673 PolarHBondContact N-O 3.08Å; Y573-Y673 PolarHBondContact O-N 3.45Å
574	T	92.1	Very high	80.8	Confident	2 Å²	2	43 Å²	43	1%	0.012	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	141.2	176.1	-50	0	0	0	0	110.4	F561 V670 W671	F561-T574 HydrophobicContact CB-CG2 4.25Å; F561-T574 HydrophobicContact CD1-CG2 3.51Å; F561-T574 HydrophobicContact CE1-CG2 4.01Å; F561-T574 HydrophobicContact CG-CG2 3.95Å; T574-V670 HydrophobicContact CG2-CB 3.91Å; T574-V670 HydrophobicContact CG2-CG1 4.29Å; T574-V670 HydrophobicContact CG2-CG2 4.22Å; T574-W671 CarbonylContact C-O 3.51Å
575	G	87.2	Confident	79.3	Confident	1 Å²	1	46.7 Å²	46.7	1%	0.01	27%	0.27	C	S	.	.			trans	-63	166.9	178.6	0	0	0	0	0	113.5	F561 Q594 W671	F561-G575 WeakPolarHBondContact CE1-O 3.48Å; F561-G575 WeakPolarHBondContact CZ-O 3.42Å; G575-Q594 PolarHBondContact O-NE2 3.41Å; G575-Q594 PolarHBondContact O-OE1 3.28Å; G575-W671 PolarHBondContact N-O 2.78Å
576	S	83.5	Confident	77.8	Confident	41 Å²	41	50.8 Å²	50.8	29%	0.287	28%	0.278	S	S	.	.	S	Bend	trans	-90	164.5	172.6	64.6	0	0	0	0	112.2	Q594 N600	S576-Q594 PolarHBondContact O-NE2 2.98Å; S576-N600 PolarHBondContact N-OD1 3.24Å; S576-N600 PolarHBondContact O-ND2 2.82Å; S576-N600 PolarHBondContact O-OD1 3.04Å; S576-N600 PolarHBondContact OG-OD1 3.42Å
577	G	78.9	Confident	76.2	Confident	42 Å²	42	55.9 Å²	55.9	43%	0.433	30%	0.304	S	S	.	.			trans	81.9	-165.6	-177.3	0	0	0	0	0	113.5	R579 Q594	G577-R579 VanDerWaalsContact C-N 3.33Å; G577-Q594 PolarHBondContact O-NE2 2.96Å
578	G	74.4	Confident	74.6	Confident	3 Å²	3	49.6 Å²	49.6	3%	0.031	29%	0.285	C	S	.	.	S	Bend	trans	72.4	22.2	-174	0	0	0	0	0	114.3	H590 S591 F592	G578-H590 CarbonylContact O-C 3.49Å; G578-H590 VanDerWaalsContact O-CA 3.23Å; G578-H590 WeakPolarHBondContact O-CA 3.24Å; G578-S591 PolarHBondContact O-N 2.92Å; G578-F592 CarbonylContact C-O 3.53Å; G578-F592 WeakPolarHBondContact CA-O 3.31Å; G578-F592 PolarHBondContact O-N 2.77Å; G578-F592 VanDerWaalsContact O-O 3.07Å
579	R	73.2	Confident	73.5	Confident	40 Å²	40	57.8 Å²	57.8	15%	0.151	32%	0.323	C	S	.	.	B	Isolated β-bridge	trans	-142.4	135.9	-167.4	-63.5	175.6	173.9	-142.2	12.6	110.8	G560 G577 L581 G588 E589 H590	G560-R579 PolarHBondContact O-NH2 3.5Å; G577-R579 VanDerWaalsContact C-N 3.33Å; R579-L581 PolarHBondContact O-N 3.45Å; R579-G588 VanDerWaalsContact CD-O 3.28Å; R579-G588 WeakPolarHBondContact CD-O 3.47Å; R579-G588 PolarHBondContact NH1-O 3.41Å; R579-E589 WeakPolarHBondContact CA-O 3.31Å; R579-E589 VanDerWaalsContact CB-O 3.3Å; R579-E589 WeakPolarHBondContact CB-O 3.21Å; R579-E589 WeakPolarHBondContact CG-O 3.15Å; R579-H590 VanDerWaalsContact CZ-NE2 3.33Å; R579-H590 PolarHBondContact NE-CD2 2.98Å; R579-H590 VanDerWaalsContact NE-CD2 3.28Å; R579-H590 PolarHBondContact NE-NE2 3.07Å; R579-H590 PolarHBondContact NH2-NE2 3.42Å
580	D	67.1	Low	72.3	Confident	63 Å²	63	56 Å²	56	34%	0.337	31%	0.312	S	S	.	.			trans	-71.9	120.9	169.4	171.1	44.6	0	0	0	111.7	S582 K585 S591	D580-S582 VanDerWaalsContact CG-OG 3.24Å; D580-S582 WeakPolarHBondContact OD1-CB 3.49Å; D580-S582 PolarHBondContact OD1-N 3.33Å; D580-S582 PolarHBondContact OD1-OG 2.92Å; D580-S582 PolarHBondContact OD2-OG 2.77Å; D580-K585 WeakPolarHBondContact O-CD 3.1Å; D580-K585 IonicContact OD2-NZ 2.59Å; D580-K585 PolarHBondContact OD2-NZ 2.9Å; D580-S591 PolarHBondContact N-OG 3.42Å
581	L	63.7	Low	71.3	Confident	86 Å²	86	56.6 Å²	56.6	45%	0.45	32%	0.32	S	S	.	.			trans	-111.4	13.9	176.2	-61	-179.8	0	0	0	113.7	R579 K585	R579-L581 PolarHBondContact O-N 3.45Å; L581-K585 HydrophobicContact CB-CB 4.43Å; L581-K585 HydrophobicContact CD2-CB 4.11Å; L581-K585 PolarHBondContact O-N 3.03Å
582	S	47.2	Very low	70.5	Confident	65 Å²	65	61.7 Å²	61.7	46%	0.455	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.8	156.4	174.1	70.2	0	0	0	0	113.1	D580 N584 K585	D580-S582 VanDerWaalsContact CG-OG 3.24Å; D580-S582 WeakPolarHBondContact OD1-CB 3.49Å; D580-S582 PolarHBondContact OD1-N 3.33Å; D580-S582 PolarHBondContact OD1-OG 2.92Å; D580-S582 PolarHBondContact OD2-OG 2.77Å; S582-N584 VanDerWaalsContact C-N 3.3Å; S582-N584 PolarHBondContact O-N 2.82Å; S582-K585 WeakPolarHBondContact O-CD 3.3Å; S582-K585 WeakPolarHBondContact O-CE 3.26Å; S582-K585 WeakPolarHBondContact O-CG 3.5Å
583	G	49.6	Very low	69.7	Low	78 Å²	78	64.9 Å²	64.9	80%	0.804	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.4	27.8	-179.1	0	0	0	0	0	114.3	K585	G583-K585 VanDerWaalsContact C-N 3.35Å; G583-K585 PolarHBondContact O-N 3.14Å
584	N	46.5	Very low	69.2	Low	112 Å²	112	64.9 Å²	64.9	60%	0.599	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.2	33.2	178.3	-170.9	36.2	0	0	0	114	S582 R586	S582-N584 VanDerWaalsContact C-N 3.3Å; S582-N584 PolarHBondContact O-N 2.82Å; N584-R586 PolarHBondContact O-NH1 3.2Å; N584-R586 VanDerWaalsContact O-NH1 3.08Å; N584-R586 VanDerWaalsContact OD1-CZ 3.29Å; N584-R586 PolarHBondContact OD1-NH1 3.43Å; N584-R586 PolarHBondContact OD1-NH2 3.43Å
585	K	50.6	Low	68.6	Low	90 Å²	90	68.6 Å²	68.6	39%	0.391	38%	0.382	S	S	.	.			trans	-64.3	163	170.8	-65.9	162.1	-167.1	171.7	0	111	D580 L581 S582 G583	D580-K585 WeakPolarHBondContact O-CD 3.1Å; D580-K585 IonicContact OD2-NZ 2.59Å; D580-K585 PolarHBondContact OD2-NZ 2.9Å; L581-K585 HydrophobicContact CB-CB 4.43Å; L581-K585 HydrophobicContact CD2-CB 4.11Å; L581-K585 PolarHBondContact O-N 3.03Å; S582-K585 WeakPolarHBondContact O-CD 3.3Å; S582-K585 WeakPolarHBondContact O-CE 3.26Å; S582-K585 WeakPolarHBondContact O-CG 3.5Å; G583-K585 VanDerWaalsContact C-N 3.35Å; G583-K585 PolarHBondContact O-N 3.14Å
586	R	54.6	Low	68.4	Low	151 Å²	151	69.3 Å²	69.3	57%	0.57	39%	0.385	S	S	*	.	S	Bend	trans	-123.4	-12.5	168.8	-68.2	-64.2	175.7	-74.9	-4.2	113.3	V541 N584	V541-R586 HydrophobicContact CG1-CB 4.13Å; N584-R586 PolarHBondContact O-NH1 3.2Å; N584-R586 VanDerWaalsContact O-NH1 3.08Å; N584-R586 VanDerWaalsContact OD1-CZ 3.29Å; N584-R586 PolarHBondContact OD1-NH1 3.43Å; N584-R586 PolarHBondContact OD1-NH2 3.43Å
587	I	60.7	Low	67.9	Low	126 Å²	126	70 Å²	70	65%	0.646	39%	0.388	S	S	*	.	S	Bend	trans	-142.8	136.2	173.2	-53	177.4	0	0	0	104.2
588	G	61.7	Low	68	Low	13 Å²	13	73.5 Å²	73.5	13%	0.134	39%	0.393	C	S	.	.			trans	-133.2	171.3	170.1	0	0	0	0	0	109.6	R579	R579-G588 VanDerWaalsContact CD-O 3.28Å; R579-G588 WeakPolarHBondContact CD-O 3.47Å; R579-G588 PolarHBondContact NH1-O 3.41Å
589	E	70.1	Confident	68.5	Low	172 Å²	172	75.7 Å²	75.7	80%	0.804	40%	0.403	S	S	*	.			trans	-74.2	162.5	166.7	-74.6	161.1	-164.2	0	0	110.4	R579	R579-E589 WeakPolarHBondContact CA-O 3.31Å; R579-E589 VanDerWaalsContact CB-O 3.3Å; R579-E589 WeakPolarHBondContact CB-O 3.21Å; R579-E589 WeakPolarHBondContact CG-O 3.15Å
590	H	72.5	Confident	69.2	Low	33 Å²	33	74 Å²	74	15%	0.153	40%	0.397	C	S	.	.	B	Isolated β-bridge	trans	-74.7	134.5	175.5	-77.7	-104.1	0	0	0	110.2	F561 G578 R579 C666 Y668	F561-H590 AromaticContact CD1-NE2 3.48Å; F561-H590 WeakPolarHBondContact CD1-NE2 3.47Å; F561-H590 AromaticContact CE1-CE1 3.95Å; F561-H590 AromaticContact CE1-NE2 3.61Å; G578-H590 CarbonylContact O-C 3.49Å; G578-H590 VanDerWaalsContact O-CA 3.23Å; G578-H590 WeakPolarHBondContact O-CA 3.24Å; R579-H590 VanDerWaalsContact CZ-NE2 3.33Å; R579-H590 PolarHBondContact NE-CD2 2.98Å; R579-H590 VanDerWaalsContact NE-CD2 3.28Å; R579-H590 PolarHBondContact NE-NE2 3.07Å; R579-H590 PolarHBondContact NH2-NE2 3.42Å; H590-C666 HydrophobicContact CB-CB 3.63Å; H590-Y668 HydrophobicContact CB-CD2 3.95Å; H590-Y668 VanDerWaalsContact O-CE2 3.32Å; H590-Y668 WeakPolarHBondContact O-CE2 3.28Å
591	S	76.4	Confident	70.2	Confident	47 Å²	47	75.5 Å²	75.5	33%	0.329	40%	0.398	S	S	.	.			trans	-145.3	-2.3	-169.9	59.3	0	0	0	0	114.2	G578 D580 Y668	G578-S591 PolarHBondContact O-N 2.92Å; D580-S591 PolarHBondContact N-OG 3.42Å; S591-Y668 VanDerWaalsContact C-CZ 3.49Å
592	F	78.5	Confident	71.4	Confident	107 Å²	107	71.4 Å²	71.4	47%	0.469	38%	0.376	S	S	.	.	S	Bend	trans	-166.9	168.8	172.3	51.7	-92.2	0	0	0	109.4	G578 Y668	G578-F592 CarbonylContact C-O 3.53Å; G578-F592 WeakPolarHBondContact CA-O 3.31Å; G578-F592 PolarHBondContact O-N 2.77Å; G578-F592 VanDerWaalsContact O-O 3.07Å; F592-Y668 VanDerWaalsContact CA-CD1 3.5Å
593	D	80.6	Confident	73.7	Confident	86 Å²	86	68.3 Å²	68.3	46%	0.46	36%	0.355	S	S	.	.			trans	-65.8	146.6	-177.5	-66.8	-24.5	0	0	0	113.7	L669	D593-L669 HydrophobicContact CB-CB 3.93Å; D593-L669 WeakPolarHBondContact OD1-CB 3.17Å; D593-L669 PolarHBondContact OD1-N 3.16Å
594	Q	84.4	Confident	75.9	Confident	5 Å²	5	64.6 Å²	64.6	2%	0.023	32%	0.317	C	S	.	.			trans	-80.9	139.7	170.8	-64.2	-167.8	-23.1	0	0	111.3	G575 S576 G577 L669 V670 W671	G575-Q594 PolarHBondContact O-NE2 3.41Å; G575-Q594 PolarHBondContact O-OE1 3.28Å; S576-Q594 PolarHBondContact O-NE2 2.98Å; G577-Q594 PolarHBondContact O-NE2 2.96Å; Q594-L669 WeakPolarHBondContact CB-O 3.47Å; Q594-L669 PolarHBondContact N-O 3.23Å; Q594-L669 VanDerWaalsContact O-CD2 3.32Å; Q594-L669 WeakPolarHBondContact O-CD2 3.4Å; Q594-V670 HydrophobicContact CG-CG1 4.31Å; Q594-W671 PolarHBondContact O-NE1 3.3Å
595	T	79.7	Confident	78.3	Confident	80 Å²	80	61.6 Å²	61.6	49%	0.491	30%	0.3	S	S	.	.			trans	-106	153.8	176.1	59.8	0	0	0	0	111.5	T597 N600	T595-T597 PolarHBondContact O-N 2.86Å; T595-T597 WeakPolarHBondContact OG1-CG2 3.47Å; T595-T597 PolarHBondContact OG1-OG1 3.11Å; T595-N600 PolarHBondContact O-ND2 2.78Å
596	L	82.6	Confident	80.5	Confident	15 Å²	15	57.3 Å²	57.3	8%	0.079	28%	0.282	C	S	.	.	S	Bend	trans	-80.7	62.2	173.6	-163.6	67.4	0	0	0	111.2	N600 A604 L611 D613 Y659 W671 Y673	L596-N600 HydrophobicContact CD1-CB 4.21Å; L596-A604 HydrophobicContact CD1-CB 3.94Å; L596-A604 HydrophobicContact CD2-CB 4.35Å; L596-L611 HydrophobicContact CD2-CD1 4.14Å; L596-D613 HydrophobicContact CB-CB 4.45Å; L596-D613 HydrophobicContact CD2-CB 4.06Å; L596-Y659 HydrophobicContact CD2-CE2 4.02Å; L596-W671 HydrophobicContact CB-CD2 4.27Å; L596-W671 HydrophobicContact CB-CH2 4.31Å; L596-W671 HydrophobicContact CB-CZ2 3.83Å; L596-W671 HydrophobicContact CD1-CD2 3.85Å; L596-W671 HydrophobicContact CD1-CE3 3.84Å; L596-W671 HydrophobicContact CD1-CG 4.3Å; L596-W671 HydrophobicContact CD1-CZ3 4.22Å; L596-W671 HydrophobicContact CD2-CH2 4.1Å; L596-W671 HydrophobicContact CD2-CZ2 4.47Å; L596-W671 HydrophobicContact CD2-CZ3 4.19Å; L596-Y673 WeakPolarHBondContact CD1-OH 3.44Å
597	T	73.9	Confident	82.6	Confident	57 Å²	57	50.5 Å²	50.5	35%	0.35	26%	0.257	S	S	.	.			trans	-123.2	173.4	-177.6	59.5	0	0	0	0	110.4	T595 M599 N600 R601	T595-T597 PolarHBondContact O-N 2.86Å; T595-T597 WeakPolarHBondContact OG1-CG2 3.47Å; T595-T597 PolarHBondContact OG1-OG1 3.11Å; T597-M599 PolarHBondContact O-N 3.42Å; T597-N600 WeakPolarHBondContact O-CA 3.46Å; T597-N600 WeakPolarHBondContact O-CB 3.39Å; T597-N600 PolarHBondContact O-N 2.75Å; T597-R601 PolarHBondContact O-N 3.18Å
598	H	81.1	Confident	84.3	Confident	115 Å²	115	47.9 Å²	47.9	53%	0.532	25%	0.245	S	C	.	.	H	α-helix	trans	42.1	-119.1	173.7	-53.5	-81	0	0	0	113.6	S548 N600 R601 A602	S548-H598 WeakPolarHBondContact CB-O 3.46Å; H598-N600 PolarHBondContact O-N 2.64Å; H598-R601 PolarHBondContact O-N 3.23Å; H598-A602 PolarHBondContact O-N 3.12Å
599	M	84.6	Confident	85.9	Confident	49 Å²	49	48.6 Å²	48.6	24%	0.241	25%	0.249	C	C	.	.	H	α-helix	trans	-69	-28.5	-178.8	-60	-57.2	120.6	0	0	114	I544 G546 T597 A602 L603	I544-M599 HydrophobicContact CB-CB 3.92Å; I544-M599 HydrophobicContact CB-CG 4.41Å; I544-M599 HydrophobicContact CD1-CB 4.21Å; I544-M599 HydrophobicContact CG2-CB 3.91Å; I544-M599 HydrophobicContact CG2-SD 4.45Å; G546-M599 VanDerWaalsContact O-CE 3.3Å; G546-M599 WeakPolarHBondContact O-CE 3.39Å; T597-M599 PolarHBondContact O-N 3.42Å; M599-A602 WeakPolarHBondContact O-CB 3.5Å; M599-A602 PolarHBondContact O-N 3.18Å; M599-L603 PolarHBondContact O-N 3.44Å
600	N	87.2	Confident	86.9	Confident	4 Å²	4	46 Å²	46	2%	0.021	25%	0.247	C	C	.	.	H	α-helix	trans	-69.4	-44.4	178.5	-60.7	-6.2	0	0	0	109.6	S576 T595 L596 T597 H598 L603 A604 Y673	S576-N600 PolarHBondContact N-OD1 3.24Å; S576-N600 PolarHBondContact O-ND2 2.82Å; S576-N600 PolarHBondContact O-OD1 3.04Å; S576-N600 PolarHBondContact OG-OD1 3.42Å; T595-N600 PolarHBondContact O-ND2 2.78Å; L596-N600 HydrophobicContact CD1-CB 4.21Å; T597-N600 WeakPolarHBondContact O-CA 3.46Å; T597-N600 WeakPolarHBondContact O-CB 3.39Å; T597-N600 PolarHBondContact O-N 2.75Å; H598-N600 PolarHBondContact O-N 2.64Å; N600-L603 PolarHBondContact O-N 2.7Å; N600-A604 PolarHBondContact O-N 2.72Å; N600-Y673 VanDerWaalsContact C-OH 3.28Å; N600-Y673 VanDerWaalsContact CA-OH 3.25Å; N600-Y673 WeakPolarHBondContact CA-OH 3.48Å; N600-Y673 VanDerWaalsContact CB-OH 3.29Å; N600-Y673 WeakPolarHBondContact CB-OH 3.03Å; N600-Y673 PolarHBondContact O-OH 2.94Å
601	R	88.9	Confident	87.7	Confident	94 Å²	94	47.2 Å²	47.2	36%	0.355	26%	0.255	S	S	.	.	H	α-helix	trans	-62.2	-42.4	171.3	-171.5	173.6	170.1	103.9	3.4	111.9	S548 T597 H598 L603 A604 L605 L611	S548-R601 VanDerWaalsContact O-CD 3.3Å; S548-R601 WeakPolarHBondContact O-CD 3.1Å; S548-R601 PolarHBondContact O-NE 3.46Å; S548-R601 VanDerWaalsContact O-NE 3.07Å; T597-R601 PolarHBondContact O-N 3.18Å; H598-R601 PolarHBondContact O-N 3.23Å; R601-L603 VanDerWaalsContact C-N 3.35Å; R601-L603 PolarHBondContact O-N 2.74Å; R601-A604 PolarHBondContact O-N 3.29Å; R601-L605 HydrophobicContact CG-CD1 4.45Å; R601-L605 WeakPolarHBondContact O-CG 3.35Å; R601-L605 PolarHBondContact O-N 3.38Å; R601-L611 HydrophobicContact CG-CD2 4.13Å; R601-L611 VanDerWaalsContact NH1-CD2 3.33Å
602	A	87.2	Confident	88.3	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-57.9	-46.2	176.6	0	0	0	0	0	111.5	R547 G551 S552 H598 M599 A604 L605 N606	R547-A602 WeakPolarHBondContact O-CB 3.48Å; G551-A602 CarbonylContact C-O 3.56Å; G551-A602 WeakPolarHBondContact CA-O 3.46Å; S552-A602 PolarHBondContact N-O 3.22Å; S552-A602 VanDerWaalsContact N-O 3.08Å; H598-A602 PolarHBondContact O-N 3.12Å; M599-A602 WeakPolarHBondContact O-CB 3.5Å; M599-A602 PolarHBondContact O-N 3.18Å; A602-A604 PolarHBondContact O-N 2.88Å; A602-L605 PolarHBondContact O-N 2.83Å; A602-N606 PolarHBondContact O-OD1 2.87Å
603	L	96.3	Very high	88.6	Confident	0 Å²	0	46.5 Å²	46.5	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-69.8	-31.5	178.5	-171.7	59.3	0	0	0	113.1	I544 L555 Y573 M599 N600 R601 N606 V628 V656 Y673	I544-L603 HydrophobicContact CD1-CB 4.42Å; I544-L603 HydrophobicContact CD1-CD2 3.97Å; I544-L603 HydrophobicContact CG1-CD2 4.44Å; L555-L603 HydrophobicContact CD2-CD1 4.23Å; L555-L603 HydrophobicContact CD2-CD2 4.1Å; Y573-L603 HydrophobicContact CD1-CD2 3.99Å; M599-L603 PolarHBondContact O-N 3.44Å; N600-L603 PolarHBondContact O-N 2.7Å; R601-L603 VanDerWaalsContact C-N 3.35Å; R601-L603 PolarHBondContact O-N 2.74Å; L603-N606 WeakPolarHBondContact O-CB 3.32Å; L603-N606 PolarHBondContact O-N 2.91Å; L603-V628 HydrophobicContact CD1-CG2 4.08Å; L603-V656 HydrophobicContact CD1-CG2 3.83Å; L603-V656 HydrophobicContact CG-CG2 4.26Å; L603-Y673 HydrophobicContact CB-CD1 4.11Å; L603-Y673 HydrophobicContact CB-CE1 3.89Å; L603-Y673 HydrophobicContact CD2-CD1 3.75Å; L603-Y673 HydrophobicContact CD2-CD2 3.8Å; L603-Y673 HydrophobicContact CD2-CE1 4.16Å; L603-Y673 HydrophobicContact CD2-CE2 4.21Å; L603-Y673 HydrophobicContact CD2-CG 3.58Å; L603-Y673 HydrophobicContact CG-CD1 3.61Å; L603-Y673 HydrophobicContact CG-CE1 3.94Å; L603-Y673 HydrophobicContact CG-CG 3.98Å
604	A	96.6	Very high	88.8	Confident	1 Å²	1	50 Å²	50	1%	0.008	26%	0.263	C	S	.	.	H	α-helix	trans	-66.3	-36.1	173.4	0	0	0	0	0	112.9	L596 N600 R601 A602 N606 C607 L611 Y659 Y673	L596-A604 HydrophobicContact CD1-CB 3.94Å; L596-A604 HydrophobicContact CD2-CB 4.35Å; N600-A604 PolarHBondContact O-N 2.72Å; R601-A604 PolarHBondContact O-N 3.29Å; A602-A604 PolarHBondContact O-N 2.88Å; A604-N606 PolarHBondContact O-N 2.87Å; A604-N606 VanDerWaalsContact O-N 3.13Å; A604-C607 VanDerWaalsContact O-CB 3.29Å; A604-C607 WeakPolarHBondContact O-CB 3.17Å; A604-C607 PolarHBondContact O-N 3.04Å; A604-L611 HydrophobicContact CB-CD1 3.58Å; A604-Y659 HydrophobicContact CB-CD1 4.06Å; A604-Y659 HydrophobicContact CB-CD2 3.66Å; A604-Y659 HydrophobicContact CB-CE1 4.03Å; A604-Y659 HydrophobicContact CB-CE2 3.61Å; A604-Y659 HydrophobicContact CB-CG 3.91Å; A604-Y673 HydrophobicContact CB-CE1 4.13Å
605	L	95.3	Very high	89.2	Confident	48 Å²	48	55.3 Å²	55.3	25%	0.251	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-6.1	175.7	-71.4	171.1	0	0	0	114.3	S548 D550 R601 A602 L611	S548-L605 WeakPolarHBondContact O-CD1 3.47Å; D550-L605 WeakPolarHBondContact O-CB 3.35Å; R601-L605 HydrophobicContact CG-CD1 4.45Å; R601-L605 WeakPolarHBondContact O-CG 3.35Å; R601-L605 PolarHBondContact O-N 3.38Å; A602-L605 PolarHBondContact O-N 2.83Å; L605-L611 HydrophobicContact CD2-CB 4.43Å; L605-L611 HydrophobicContact CD2-CD1 4.23Å; L605-L611 HydrophobicContact CD2-CD2 4.21Å; L605-L611 HydrophobicContact CG-CD1 4.41Å
606	N	97.9	Very high	90	Very high	0 Å²	0	52 Å²	52	0%	0	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-16.9	168.2	-70.1	75.5	0	0	0	113.6	S552 A602 L603 A604 G625 K626 V628 V656	S552-N606 WeakPolarHBondContact CA-OD1 3.45Å; S552-N606 VanDerWaalsContact CB-OD1 3.29Å; S552-N606 WeakPolarHBondContact CB-OD1 3.35Å; S552-N606 PolarHBondContact N-OD1 2.96Å; S552-N606 PolarHBondContact O-ND2 2.89Å; S552-N606 PolarHBondContact O-OD1 2.95Å; A602-N606 PolarHBondContact O-OD1 2.87Å; L603-N606 WeakPolarHBondContact O-CB 3.32Å; L603-N606 PolarHBondContact O-N 2.91Å; A604-N606 PolarHBondContact O-N 2.87Å; A604-N606 VanDerWaalsContact O-N 3.13Å; N606-G625 CarbonylContact O-C 3.5Å; N606-G625 WeakPolarHBondContact O-CA 3.5Å; N606-K626 HydrophobicContact CB-CB 4.24Å; N606-K626 WeakPolarHBondContact ND2-CB 3.21Å; N606-K626 PolarHBondContact ND2-O 3.35Å; N606-K626 PolarHBondContact O-N 2.84Å; N606-V628 HydrophobicContact CB-CG2 4.26Å; N606-V628 VanDerWaalsContact ND2-CG2 3.26Å; N606-V628 WeakPolarHBondContact ND2-CG2 3.21Å; N606-V656 HydrophobicContact CB-CB 4.24Å; N606-V656 HydrophobicContact CB-CG2 3.78Å
607	C	98	Very high	90.7	Very high	9 Å²	9	52.3 Å²	52.3	6%	0.061	28%	0.278	C	S	.	.	S	Bend	trans	-75	133.4	179.1	-162.2	0	0	0	0	109.8	A604 A609 V656 V657 Y659	A604-C607 VanDerWaalsContact O-CB 3.29Å; A604-C607 WeakPolarHBondContact O-CB 3.17Å; A604-C607 PolarHBondContact O-N 3.04Å; C607-A609 PolarHBondContact O-N 3.37Å; C607-V656 HydrophobicContact CB-CB 4.16Å; C607-V656 HydrophobicContact CB-CG1 3.86Å; C607-V656 PolarHBondContact SG-O 2.85Å; C607-V657 PolarHBondContact SG-O 2.85Å; C607-Y659 HydrophobicContact CB-CD1 3.86Å; C607-Y659 HydrophobicContact CB-CE1 3.81Å
608	D	97.2	Very high	91.9	Very high	71 Å²	71	55 Å²	55	38%	0.38	29%	0.287	S	S	.	.	S	Bend	trans	-76.4	70.5	170.2	171.2	56.8	0	0	0	109.9	S619 A624	D608-S619 WeakPolarHBondContact CB-OG 3.23Å; D608-S619 WeakPolarHBondContact O-CA 3.44Å; D608-S619 WeakPolarHBondContact O-CB 3.38Å; D608-S619 PolarHBondContact O-OG 2.99Å; D608-S619 PolarHBondContact OD2-OG 3.31Å; D608-A624 HydrophobicContact CB-CB 4.05Å
609	A	94.9	Very high	92.6	Very high	28 Å²	28	50.1 Å²	50.1	23%	0.231	27%	0.265	C	S	.	.	S	Bend	trans	-158.4	151.4	176.1	0	0	0	0	0	109.4	C607 A617	C607-A609 PolarHBondContact O-N 3.37Å; A609-A617 HydrophobicContact CB-CB 3.75Å
610	P	91.3	Very high	93.1	Very high	117 Å²	117	59.9 Å²	59.9	76%	0.76	30%	0.3	S	S	*	.			trans	-54.5	142.3	170.1	-25.1	35.2	0	0	0	111.9	N612 Y659	P610-N612 PolarHBondContact O-N 2.9Å; P610-Y659 PolarHBondContact O-OH 3.05Å
611	L	90	Very high	93.4	Very high	58 Å²	58	64.1 Å²	64.1	30%	0.304	32%	0.322	S	S	.	.			trans	-71.6	122.4	-179.7	-170.1	75.7	0	0	0	110.7	L596 R601 A604 L605 Y659	L596-L611 HydrophobicContact CD2-CD1 4.14Å; R601-L611 HydrophobicContact CG-CD2 4.13Å; R601-L611 VanDerWaalsContact NH1-CD2 3.33Å; A604-L611 HydrophobicContact CB-CD1 3.58Å; L605-L611 HydrophobicContact CD2-CB 4.43Å; L605-L611 HydrophobicContact CD2-CD1 4.23Å; L605-L611 HydrophobicContact CD2-CD2 4.21Å; L605-L611 HydrophobicContact CG-CD1 4.41Å; L611-Y659 WeakPolarHBondContact CA-OH 3.48Å; L611-Y659 HydrophobicContact CD1-CE2 4.45Å
612	N	88.7	Confident	93.8	Very high	41 Å²	41	61.5 Å²	61.5	22%	0.219	31%	0.312	C	S	.	.			trans	-122	121.8	173.8	177.9	6.2	0	0	0	109.2	P610 K614 D615 G616 Y659	P610-N612 PolarHBondContact O-N 2.9Å; N612-K614 PolarHBondContact OD1-N 3.29Å; N612-D615 WeakPolarHBondContact ND2-CB 3.22Å; N612-D615 PolarHBondContact ND2-OD2 2.88Å; N612-D615 PolarHBondContact OD1-N 2.95Å; N612-G616 WeakPolarHBondContact CB-O 3.47Å; N612-G616 PolarHBondContact ND2-O 2.84Å; N612-G616 WeakPolarHBondContact O-CA 3.35Å; N612-Y659 PolarHBondContact N-OH 2.84Å; N612-Y659 WeakPolarHBondContact O-CE2 3.48Å
613	D	84.7	Confident	94.3	Very high	99 Å²	99	67.9 Å²	67.9	53%	0.529	34%	0.336	S	S	.	.	S	Bend	trans	-94.7	0.9	-177	57.6	-1	0	0	0	114.5	L596 W671	L596-D613 HydrophobicContact CB-CB 4.45Å; L596-D613 HydrophobicContact CD2-CB 4.06Å; D613-W671 WeakPolarHBondContact O-CZ2 3.4Å
614	K	85.1	Confident	94.3	Very high	159 Å²	159	70.8 Å²	70.8	69%	0.691	36%	0.36	S	S	*	.	S	Bend	trans	-105.4	-54.2	179	-62.8	-180	-176.2	178.2	0	113.2	N612 P661	N612-K614 PolarHBondContact OD1-N 3.29Å; K614-P661 VanDerWaalsContact O-CG 3.28Å; K614-P661 WeakPolarHBondContact O-CG 3.4Å
615	D	92.6	Very high	94.2	Very high	117 Å²	117	70.9 Å²	70.9	63%	0.626	36%	0.362	S	S	*	.	S	Bend	trans	-110.2	-11.8	-174	-30.7	-81.6	0	0	0	112.2	N612 P661	N612-D615 WeakPolarHBondContact ND2-CB 3.22Å; N612-D615 PolarHBondContact ND2-OD2 2.88Å; N612-D615 PolarHBondContact OD1-N 2.95Å; D615-P661 WeakPolarHBondContact O-CD 3.33Å
616	G	96.3	Very high	94.3	Very high	10 Å²	10	72.2 Å²	72.2	10%	0.103	37%	0.365	C	S	.	.			trans	74.9	-168.4	-167.5	0	0	0	0	0	113.2	N612 Y659	N612-G616 WeakPolarHBondContact CB-O 3.47Å; N612-G616 PolarHBondContact ND2-O 2.84Å; N612-G616 WeakPolarHBondContact O-CA 3.35Å; G616-Y659 CarbonylContact C-O 3.57Å; G616-Y659 VanDerWaalsContact CA-O 3.26Å; G616-Y659 WeakPolarHBondContact CA-O 3.36Å
617	A	97.2	Very high	94.3	Very high	21 Å²	21	73.8 Å²	73.8	17%	0.174	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	154.6	-178.1	0	0	0	0	0	113.1	A609 K658 Y659	A609-A617 HydrophobicContact CB-CB 3.75Å; A617-K658 VanDerWaalsContact O-CA 3.23Å; A617-K658 WeakPolarHBondContact O-CA 3.08Å; A617-K658 VanDerWaalsContact O-CB 3.27Å; A617-K658 WeakPolarHBondContact O-CB 3.34Å; A617-Y659 HydrophobicContact CB-CE1 3.76Å; A617-Y659 WeakPolarHBondContact CB-OH 3.49Å; A617-Y659 PolarHBondContact N-O 2.9Å; A617-Y659 PolarHBondContact O-N 3.32Å
618	E	98.1	Very high	94.4	Very high	115 Å²	115	73.4 Å²	73.4	54%	0.537	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	127	178.2	177.6	155.8	-154.4	0	0	110.3	K658	E618-K658 HydrophobicContact CB-CB 3.68Å; E618-K658 HydrophobicContact CB-CD 3.96Å; E618-K658 HydrophobicContact CG-CB 3.91Å; E618-K658 HydrophobicContact CG-CD 3.71Å; E618-K658 WeakPolarHBondContact OE1-CD 3.35Å; E618-K658 IonicContact OE1-NZ 3.48Å; E618-K658 PolarHBondContact OE1-NZ 3.37Å; E618-K658 VanDerWaalsContact OE2-CD 3.25Å; E618-K658 WeakPolarHBondContact OE2-CD 3.45Å; E618-K658 IonicContact OE2-NZ 3.62Å; E618-K658 PolarHBondContact OE2-NZ 3.28Å
619	S	96.6	Very high	94.4	Very high	11 Å²	11	70 Å²	70	8%	0.077	36%	0.355	C	S	.	.			trans	-79.5	134.7	-176.6	178.4	0	0	0	0	112.1	D608 N621 W622 V657	D608-S619 WeakPolarHBondContact CB-OG 3.23Å; D608-S619 WeakPolarHBondContact O-CA 3.44Å; D608-S619 WeakPolarHBondContact O-CB 3.38Å; D608-S619 PolarHBondContact O-OG 2.99Å; D608-S619 PolarHBondContact OD2-OG 3.31Å; S619-N621 PolarHBondContact OG-N 3.22Å; S619-N621 VanDerWaalsContact OG-N 3.13Å; S619-W622 WeakPolarHBondContact OG-CA 3.23Å; S619-W622 PolarHBondContact OG-N 3.35Å; S619-W622 VanDerWaalsContact OG-N 3.11Å; S619-V657 WeakPolarHBondContact CB-O 3.32Å; S619-V657 PolarHBondContact N-O 3.19Å
620	R	94.3	Very high	94.6	Very high	255 Å²	255	68.7 Å²	68.7	96%	0.962	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76	-24.8	171.6	-63	-177.3	-178.9	-175.1	0	112.6
621	N	94.9	Very high	95	Very high	92 Å²	92	63.1 Å²	63.1	49%	0.492	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-135.5	65.9	177.6	-175.1	17.6	0	0	0	110.4	S619 R623 A624	S619-N621 PolarHBondContact OG-N 3.22Å; S619-N621 VanDerWaalsContact OG-N 3.13Å; N621-R623 PolarHBondContact O-N 3.46Å; N621-A624 WeakPolarHBondContact O-CB 3.34Å; N621-A624 PolarHBondContact O-N 3.01Å
622	W	97.1	Very high	95.3	Very high	39 Å²	39	60.4 Å²	60.4	15%	0.148	29%	0.293	C	S	.	.	G	3₁₀ helix	trans	-53.4	-20.8	-174.3	66.8	-85.1	0	0	0	115.4	S619 A624 G625 K655 V657 R676 D678	S619-W622 WeakPolarHBondContact OG-CA 3.23Å; S619-W622 PolarHBondContact OG-N 3.35Å; S619-W622 VanDerWaalsContact OG-N 3.11Å; W622-A624 VanDerWaalsContact C-N 3.33Å; W622-G625 PolarHBondContact O-N 2.7Å; W622-K655 HydrophobicContact CE3-CB 4.14Å; W622-K655 WeakPolarHBondContact O-CB 3.31Å; W622-V657 HydrophobicContact CB-CB 4.21Å; W622-V657 HydrophobicContact CB-CG1 4.19Å; W622-V657 HydrophobicContact CB-CG2 4.07Å; W622-V657 HydrophobicContact CD2-CG2 4.01Å; W622-V657 HydrophobicContact CE3-CG2 4.03Å; W622-V657 HydrophobicContact CG-CG1 4.35Å; W622-V657 HydrophobicContact CG-CG2 4.01Å; W622-R676 HydrophobicContact CE3-CB 4.18Å; W622-R676 HydrophobicContact CH2-CB 4.15Å; W622-R676 HydrophobicContact CH2-CG 3.81Å; W622-R676 HydrophobicContact CZ2-CG 4.32Å; W622-R676 HydrophobicContact CZ3-CB 3.81Å; W622-R676 HydrophobicContact CZ3-CG 4.01Å; W622-D678 HydrophobicContact CH2-CB 4.4Å; W622-D678 HydrophobicContact CZ3-CB 4.01Å
623	R	97.1	Very high	95.6	Very high	134 Å²	134	58.8 Å²	58.8	51%	0.506	29%	0.285	S	S	.	.	G	3₁₀ helix	trans	-74.4	-15.8	173.3	-64.6	-164.1	-164.5	-112.5	6.6	114.1	N621 G625 K655 D678	N621-R623 PolarHBondContact O-N 3.46Å; R623-G625 VanDerWaalsContact C-N 3.29Å; R623-K655 WeakPolarHBondContact O-CD 3.3Å; R623-K655 PolarHBondContact O-NZ 3.31Å; R623-D678 IonicContact CZ-OD1 3.2Å; R623-D678 IonicContact NH1-OD1 3.99Å; R623-D678 PolarHBondContact NH1-OD1 2.72Å
624	A	96.4	Very high	96.1	Very high	61 Å²	61	55.8 Å²	55.8	50%	0.504	27%	0.272	S	S	.	.	G	3₁₀ helix	trans	-77.9	-13.6	168.1	0	0	0	0	0	113	D608 N621 W622	D608-A624 HydrophobicContact CB-CB 4.05Å; N621-A624 WeakPolarHBondContact O-CB 3.34Å; N621-A624 PolarHBondContact O-N 3.01Å; W622-A624 VanDerWaalsContact C-N 3.33Å
625	G	94.9	Very high	96.3	Very high	4 Å²	4	55 Å²	55	4%	0.041	27%	0.269	C	S	.	.	S	Bend	trans	-63.1	155.5	178.6	0	0	0	0	0	113.9	N606 W622 R623 K655	N606-G625 CarbonylContact O-C 3.5Å; N606-G625 WeakPolarHBondContact O-CA 3.5Å; W622-G625 PolarHBondContact O-N 2.7Å; R623-G625 VanDerWaalsContact C-N 3.29Å; G625-K655 WeakPolarHBondContact O-CD 3.28Å; G625-K655 WeakPolarHBondContact O-CE 3.16Å; G625-K655 WeakPolarHBondContact O-CG 3.48Å
626	K	97.7	Very high	96	Very high	75 Å²	75	49.7 Å²	49.7	33%	0.326	24%	0.241	S	C	.	.	P	Polyproline II helix	trans	-67.1	133	-178	-61.5	-176.1	174.5	-178.1	0	111.1	Y513 D550 N606	Y513-K626 HydrophobicContact CD1-CB 4.21Å; Y513-K626 HydrophobicContact CE1-CB 3.92Å; Y513-K626 HydrophobicContact CE1-CD 3.89Å; Y513-K626 HydrophobicContact CE1-CG 4.49Å; Y513-K626 HydrophobicContact CE2-CD 4.34Å; D550-K626 PolarHBondContact O-NZ 2.94Å; D550-K626 IonicContact OD1-NZ 3.52Å; D550-K626 PolarHBondContact OD1-NZ 2.91Å; N606-K626 HydrophobicContact CB-CB 4.24Å; N606-K626 WeakPolarHBondContact ND2-CB 3.21Å; N606-K626 PolarHBondContact ND2-O 3.35Å; N606-K626 PolarHBondContact O-N 2.84Å
627	P	97.9	Very high	95.6	Very high	34 Å²	34	55.2 Å²	55.2	22%	0.221	26%	0.259	C	S	.	.	P	Polyproline II helix	trans	-74.3	129.9	-174	28.6	-34.6	0	0	0	113.6	I653	P627-I653 HydrophobicContact CB-CG2 3.36Å
628	V	98.6	Very high	94.8	Very high	0 Å²	0	65 Å²	65	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	125.3	176.2	-174.3	0	0	0	0	109.6	L555 L603 N606 Y654 L675	L555-V628 HydrophobicContact CB-CG1 4.44Å; L555-V628 HydrophobicContact CD2-CG1 4.2Å; L555-V628 HydrophobicContact CG-CG1 3.95Å; L603-V628 HydrophobicContact CD1-CG2 4.08Å; N606-V628 HydrophobicContact CB-CG2 4.26Å; N606-V628 VanDerWaalsContact ND2-CG2 3.26Å; N606-V628 WeakPolarHBondContact ND2-CG2 3.21Å; V628-Y654 PolarHBondContact N-O 2.78Å; V628-Y654 PolarHBondContact O-N 2.88Å; V628-L675 HydrophobicContact CB-CD2 4.17Å; V628-L675 HydrophobicContact CG1-CD2 4.33Å; V628-L675 HydrophobicContact CG2-CD2 4.22Å
629	R	98.7	Very high	94.1	Very high	1 Å²	1	63.6 Å²	63.6	0%	0.004	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	126.7	167.4	-65.6	178.7	-67.8	-79.5	5.3	110.2	H512 G514 V536 Y553 S554 L555 Y650 I653	H512-R629 PolarHBondContact O-NH1 2.92Å; H512-R629 PolarHBondContact O-NH2 3.36Å; G514-R629 WeakPolarHBondContact O-CD 3.26Å; G514-R629 WeakPolarHBondContact O-CG 3.49Å; G514-R629 PolarHBondContact O-NH1 2.83Å; V536-R629 HydrophobicContact CG1-CB 4.47Å; V536-R629 PolarHBondContact O-NE 3.44Å; Y553-R629 PolarHBondContact O-N 3.16Å; S554-R629 CarbonylContact C-O 3.53Å; S554-R629 WeakPolarHBondContact CA-O 3.15Å; S554-R629 WeakPolarHBondContact CB-O 3.04Å; L555-R629 PolarHBondContact N-O 3.36Å; R629-Y650 HydrophobicContact CB-CD2 4.49Å; R629-Y650 HydrophobicContact CB-CE2 3.81Å; R629-Y650 HydrophobicContact CG-CE2 3.99Å; R629-I653 HydrophobicContact CB-CD1 4.42Å; R629-I653 HydrophobicContact CG-CD1 3.69Å
630	V	98.7	Very high	93.8	Very high	0 Å²	0	63.3 Å²	63.3	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	131.2	179.5	175	0	0	0	0	111.2	L555 L557 F571 Y650 D651 G652 Y654	L555-V630 HydrophobicContact CD1-CG1 4.15Å; L555-V630 HydrophobicContact CD1-CG2 4.06Å; L555-V630 HydrophobicContact CG-CG2 4.31Å; L557-V630 HydrophobicContact CD1-CG1 4.14Å; F571-V630 HydrophobicContact CE1-CG1 3.93Å; F571-V630 HydrophobicContact CE1-CG2 3.96Å; F571-V630 HydrophobicContact CZ-CB 4.48Å; F571-V630 HydrophobicContact CZ-CG1 3.92Å; F571-V630 HydrophobicContact CZ-CG2 3.69Å; V630-Y650 WeakPolarHBondContact O-CD2 3.36Å; V630-D651 PolarHBondContact O-N 3.49Å; V630-G652 PolarHBondContact N-O 3.16Å; V630-Y654 HydrophobicContact CB-CD2 3.51Å; V630-Y654 HydrophobicContact CB-CE2 3.61Å; V630-Y654 HydrophobicContact CB-CG 4.32Å; V630-Y654 HydrophobicContact CG1-CD2 4.35Å; V630-Y654 HydrophobicContact CG1-CE2 4.14Å; V630-Y654 HydrophobicContact CG2-CD1 4.46Å; V630-Y654 HydrophobicContact CG2-CD2 3.23Å; V630-Y654 HydrophobicContact CG2-CE2 3.87Å; V630-Y654 HydrophobicContact CG2-CG 3.62Å
631	V	98.6	Very high	93.7	Very high	0 Å²	0	59.6 Å²	59.6	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	124.7	173.8	178.3	0	0	0	0	109.2	V531 V536 H537 L555 V556 L557 N648 R649	V531-V631 HydrophobicContact CG1-CG1 4.34Å; V531-V631 HydrophobicContact CG1-CG2 4.04Å; V536-V631 HydrophobicContact CG1-CG2 3.58Å; H537-V631 HydrophobicContact CB-CG2 4.48Å; L555-V631 PolarHBondContact O-N 2.76Å; V556-V631 CarbonylContact C-O 3.58Å; V556-V631 VanDerWaalsContact CA-O 3.29Å; V556-V631 WeakPolarHBondContact CA-O 3.12Å; V556-V631 HydrophobicContact CG1-CG1 4.46Å; V556-V631 HydrophobicContact CG2-CB 4.28Å; L557-V631 PolarHBondContact N-O 3.05Å; V631-N648 HydrophobicContact CG1-CB 3.85Å; V631-R649 CarbonylContact C-O 3.59Å; V631-R649 VanDerWaalsContact CA-O 3.24Å; V631-R649 WeakPolarHBondContact CA-O 3.44Å; V631-R649 WeakPolarHBondContact CG1-O 3.15Å
632	R	97.7	Very high	93.8	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	131.2	169.6	-72.8	-171.1	177.3	74.8	1.4	110.3	L557 D566 G568 P644 N648 R649 D651 Y654	L557-R632 HydrophobicContact CB-CG 4.04Å; L557-R632 HydrophobicContact CD1-CG 3.93Å; D566-R632 IonicContact OD1-CZ 3.15Å; D566-R632 IonicContact OD1-NE 2.81Å; D566-R632 PolarHBondContact OD1-NE 2.71Å; D566-R632 IonicContact OD1-NH2 2.65Å; D566-R632 PolarHBondContact OD1-NH2 2.88Å; D566-R632 IonicContact OD2-CZ 2.7Å; D566-R632 IonicContact OD2-NE 3.56Å; D566-R632 PolarHBondContact OD2-NE 3.26Å; D566-R632 IonicContact OD2-NH2 2.66Å; G568-R632 PolarHBondContact O-NH2 2.65Å; R632-P644 WeakPolarHBondContact O-CD 3.46Å; R632-P644 VanDerWaalsContact O-CG 3.27Å; R632-P644 WeakPolarHBondContact O-CG 3.39Å; R632-N648 CarbonylContact O-C 3.54Å; R632-N648 WeakPolarHBondContact O-CA 3.42Å; R632-R649 PolarHBondContact N-O 3.07Å; R632-R649 PolarHBondContact O-N 3.24Å; R632-D651 WeakPolarHBondContact CB-OD2 3.45Å; R632-D651 WeakPolarHBondContact CD-OD2 3.32Å; R632-D651 WeakPolarHBondContact CG-OD2 3.41Å; R632-D651 IonicContact CZ-OD2 3.94Å; R632-D651 IonicContact NE-OD2 2.81Å; R632-D651 IonicContact NH1-OD2 3.8Å; R632-D651 PolarHBondContact NH1-OD2 3.15Å; R632-Y654 PolarHBondContact NH1-OH 2.77Å
633	S	95.2	Very high	93.7	Very high	7 Å²	7	55.7 Å²	55.7	5%	0.049	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	143.6	175.2	-167	0	0	0	0	110.6	L557 K635 G636 G647 N648	L557-S633 PolarHBondContact O-N 2.8Å; S633-K635 PolarHBondContact O-N 3.19Å; S633-G636 PolarHBondContact O-N 2.67Å; S633-G647 CarbonylContact C-O 3.53Å; S633-G647 WeakPolarHBondContact CA-O 3.27Å; S633-G647 PolarHBondContact OG-O 2.8Å; S633-N648 WeakPolarHBondContact CB-OD1 3.33Å; S633-N648 PolarHBondContact OG-OD1 2.8Å
634	S	94.3	Very high	93.7	Very high	37 Å²	37	49.6 Å²	49.6	26%	0.259	23%	0.234	S	C	.	.	G	3₁₀ helix	trans	-62.7	-16.4	-178.8	72.3	0	0	0	0	113.7	G636 R637 P644 E645 G647	S634-G636 PolarHBondContact O-N 2.85Å; S634-R637 WeakPolarHBondContact O-CB 3.46Å; S634-R637 WeakPolarHBondContact O-CG 3.32Å; S634-R637 PolarHBondContact O-N 2.87Å; S634-R637 VanDerWaalsContact O-N 3.15Å; S634-P644 VanDerWaalsContact CA-O 3.26Å; S634-P644 WeakPolarHBondContact CA-O 3.27Å; S634-P644 WeakPolarHBondContact CB-O 3.49Å; S634-E645 WeakPolarHBondContact CB-O 3.44Å; S634-G647 PolarHBondContact N-O 2.66Å; S634-G647 PolarHBondContact OG-N 3.03Å
635	K	88.5	Confident	93.5	Very high	143 Å²	143	53.6 Å²	53.6	62%	0.622	24%	0.242	S	C	*	.	G	3₁₀ helix	trans	-56.3	-31.9	167.3	-64.6	-174.6	176.4	-171.9	0	112.9	A558 S633 R637	A558-K635 CarbonylContact O-C 3.6Å; A558-K635 WeakPolarHBondContact O-CB 3.11Å; S633-K635 PolarHBondContact O-N 3.19Å; K635-R637 PolarHBondContact O-N 3.36Å
636	G	86.5	Confident	93.3	Very high	4 Å²	4	56.1 Å²	56.1	4%	0.041	25%	0.253	C	S	.	.	G	3₁₀ helix	trans	-69.3	-11.7	177.7	0	0	0	0	0	114.8	A558 S633 S634 R638 I639 S640	A558-G636 PolarHBondContact O-N 2.7Å; S633-G636 PolarHBondContact O-N 2.67Å; S634-G636 PolarHBondContact O-N 2.85Å; G636-R638 PolarHBondContact O-N 3.25Å; G636-I639 PolarHBondContact O-N 3.17Å; G636-S640 PolarHBondContact O-N 3.39Å
637	R	87.8	Confident	93.2	Very high	126 Å²	126	52.8 Å²	52.8	48%	0.475	24%	0.24	S	C	.	.	G	3₁₀ helix	trans	-57.6	-16.6	179.8	-74.5	-141.9	-77.3	176.7	-17.8	114.5	S634 K635 I639 S640 A643 E645	S634-R637 WeakPolarHBondContact O-CB 3.46Å; S634-R637 WeakPolarHBondContact O-CG 3.32Å; S634-R637 PolarHBondContact O-N 2.87Å; S634-R637 VanDerWaalsContact O-N 3.15Å; K635-R637 PolarHBondContact O-N 3.36Å; R637-I639 VanDerWaalsContact C-N 3.33Å; R637-S640 WeakPolarHBondContact CA-O 3.5Å; R637-A643 HydrophobicContact CG-CB 3.88Å; R637-E645 IonicContact CZ-OE1 3.76Å; R637-E645 IonicContact NH1-OE1 3.68Å; R637-E645 PolarHBondContact NH1-OE1 3.05Å; R637-E645 VanDerWaalsContact NH2-CA 3.31Å; R637-E645 PolarHBondContact NH2-O 3.38Å; R637-E645 IonicContact NH2-OE1 2.63Å; R637-E645 PolarHBondContact NH2-OE1 2.89Å
638	R	81.6	Confident	93.2	Very high	226 Å²	226	51.4 Å²	51.4	85%	0.853	23%	0.231	S	C	*	.	G	3₁₀ helix	trans	-64.2	-33.7	173.1	-60.8	174.5	177.2	-166.4	-4.9	113.6	G636	G636-R638 PolarHBondContact O-N 3.25Å
639	I	82.5	Confident	93.2	Very high	86 Å²	86	52.7 Å²	52.7	44%	0.441	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-124.9	-14.8	-173.5	63.7	169.3	0	0	0	113.3	E564 G636 R637	E564-I639 HydrophobicContact CB-CD1 3.72Å; G636-I639 PolarHBondContact O-N 3.17Å; R637-I639 VanDerWaalsContact C-N 3.33Å
640	S	90.1	Very high	93.2	Very high	6 Å²	6	52.7 Å²	52.7	4%	0.042	24%	0.236	C	C	.	.			trans	-130.6	122.4	-176.7	174.6	0	0	0	0	111.7	D566 G636 R637 Y642 A643	D566-S640 VanDerWaalsContact CG-OG 3.29Å; D566-S640 VanDerWaalsContact OD2-CB 3.26Å; D566-S640 WeakPolarHBondContact OD2-CB 3.37Å; D566-S640 PolarHBondContact OD2-OG 3.07Å; G636-S640 PolarHBondContact O-N 3.39Å; R637-S640 WeakPolarHBondContact CA-O 3.5Å; S640-Y642 PolarHBondContact O-N 3.19Å; S640-Y642 WeakPolarHBondContact OG-CB 3.5Å; S640-Y642 PolarHBondContact OG-N 3.4Å; S640-A643 PolarHBondContact OG-N 2.86Å
641	K	93.8	Very high	93.1	Very high	176 Å²	176	52.7 Å²	52.7	77%	0.765	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.4	-11.5	168.3	67.7	175.6	-176.2	176.7	0	113.6
642	Y	96.4	Very high	93.1	Very high	41 Å²	41	52.7 Å²	52.7	16%	0.161	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.3	-17.9	-176.8	-53.2	-88.5	0	0	0	112.3	D566 R567 G568 S640 R649 W685	D566-Y642 WeakPolarHBondContact O-CE2 3.41Å; R567-Y642 PolarHBondContact O-OH 3.17Å; R567-Y642 VanDerWaalsContact O-OH 3.07Å; G568-Y642 VanDerWaalsContact CA-CD1 3.45Å; S640-Y642 PolarHBondContact O-N 3.19Å; S640-Y642 WeakPolarHBondContact OG-CB 3.5Å; S640-Y642 PolarHBondContact OG-N 3.4Å; Y642-R649 PolarHBondContact O-NH2 3.4Å; Y642-W685 AromaticContact CD1-CD1 3.95Å; Y642-W685 AromaticContact CD1-CD2 3.67Å; Y642-W685 HydrophobicContact CD1-CD2 3.67Å; Y642-W685 AromaticContact CD1-CE2 3.67Å; Y642-W685 HydrophobicContact CD1-CE3 4.21Å; Y642-W685 AromaticContact CD1-CG 3.87Å; Y642-W685 HydrophobicContact CD1-CG 3.87Å; Y642-W685 HydrophobicContact CD1-CZ2 4.19Å; Y642-W685 AromaticContact CD1-NE1 3.84Å; Y642-W685 HydrophobicContact CE1-CD2 4.49Å; Y642-W685 HydrophobicContact CE1-CG 4.48Å; Y642-W685 AromaticContact CE1-NE1 3.92Å
643	A	95.6	Very high	93.2	Very high	8 Å²	8	53.1 Å²	53.1	7%	0.066	24%	0.238	C	C	.	.	S	Bend	trans	-63.5	140.3	176.2	0	0	0	0	0	111.7	R637 S640	R637-A643 HydrophobicContact CG-CB 3.88Å; S640-A643 PolarHBondContact OG-N 2.86Å
644	P	95.7	Very high	93.3	Very high	7 Å²	7	52.8 Å²	52.8	5%	0.045	24%	0.236	C	C	.	.			trans	-65.9	160.3	-174.9	29.7	-37.6	0	0	0	112	R632 S634 E646 R649	R632-P644 WeakPolarHBondContact O-CD 3.46Å; R632-P644 VanDerWaalsContact O-CG 3.27Å; R632-P644 WeakPolarHBondContact O-CG 3.39Å; S634-P644 VanDerWaalsContact CA-O 3.26Å; S634-P644 WeakPolarHBondContact CA-O 3.27Å; S634-P644 WeakPolarHBondContact CB-O 3.49Å; P644-E646 VanDerWaalsContact C-N 3.33Å; P644-E646 PolarHBondContact O-N 2.8Å; P644-R649 HydrophobicContact CB-CB 3.89Å; P644-R649 HydrophobicContact CG-CB 3.85Å
645	E	92.1	Very high	93.5	Very high	145 Å²	145	52.5 Å²	52.5	68%	0.678	23%	0.23	S	C	*	.	S	Bend	trans	-60.7	-42.8	179.6	-73.6	-121.4	88.5	0	0	113.1	S634 R637	S634-E645 WeakPolarHBondContact CB-O 3.44Å; R637-E645 IonicContact CZ-OE1 3.76Å; R637-E645 IonicContact NH1-OE1 3.68Å; R637-E645 PolarHBondContact NH1-OE1 3.05Å; R637-E645 VanDerWaalsContact NH2-CA 3.31Å; R637-E645 PolarHBondContact NH2-O 3.38Å; R637-E645 IonicContact NH2-OE1 2.63Å; R637-E645 PolarHBondContact NH2-OE1 2.89Å
646	E	92.1	Very high	94	Very high	56 Å²	56	45.7 Å²	45.7	26%	0.262	20%	0.2	S	C	.	.	S	Bend	trans	-139.4	142.7	-175.3	177.3	171.6	-133.5	0	0	110.7	T524 K526 P644 V700 Y702	T524-E646 WeakPolarHBondContact CG2-O 3.29Å; K526-E646 HydrophobicContact CD-CG 3.85Å; K526-E646 WeakPolarHBondContact CD-OE1 3.39Å; K526-E646 WeakPolarHBondContact CE-OE1 3.32Å; K526-E646 IonicContact NZ-OE1 2.71Å; K526-E646 PolarHBondContact NZ-OE1 2.91Å; P644-E646 VanDerWaalsContact C-N 3.33Å; P644-E646 PolarHBondContact O-N 2.8Å; E646-V700 HydrophobicContact CG-CG1 4.3Å; E646-Y702 VanDerWaalsContact CD-OH 3.31Å; E646-Y702 PolarHBondContact OE1-OH 3.04Å; E646-Y702 PolarHBondContact OE2-OH 3.17Å
647	G	94.4	Very high	94.6	Very high	5 Å²	5	45.9 Å²	45.9	5%	0.052	20%	0.2	C	C	.	.	S	Bend	trans	74.4	-132.7	168.6	0	0	0	0	0	113	W525 S633 S634	W525-G647 CarbonylContact O-C 3.58Å; W525-G647 WeakPolarHBondContact O-CA 3.29Å; S633-G647 CarbonylContact C-O 3.53Å; S633-G647 WeakPolarHBondContact CA-O 3.27Å; S633-G647 PolarHBondContact OG-O 2.8Å; S634-G647 PolarHBondContact N-O 2.66Å; S634-G647 PolarHBondContact OG-N 3.03Å
648	N	97.6	Very high	95.1	Very high	6 Å²	6	42.7 Å²	42.7	3%	0.032	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	123.8	-171.2	-42.9	-94.5	0	0	0	107.4	T524 W525 K526 V531 V631 R632 S633	T524-N648 CarbonylContact C-O 3.48Å; T524-N648 VanDerWaalsContact CA-O 3.32Å; T524-N648 WeakPolarHBondContact CA-O 3.42Å; W525-N648 PolarHBondContact N-O 3.15Å; W525-N648 PolarHBondContact O-N 3.3Å; W525-N648 PolarHBondContact O-ND2 3.29Å; K526-N648 PolarHBondContact O-ND2 2.84Å; V531-N648 HydrophobicContact CG2-CB 3.84Å; V631-N648 HydrophobicContact CG1-CB 3.85Å; R632-N648 CarbonylContact O-C 3.54Å; R632-N648 WeakPolarHBondContact O-CA 3.42Å; S633-N648 WeakPolarHBondContact CB-OD1 3.33Å; S633-N648 PolarHBondContact OG-OD1 2.8Å
649	R	98.5	Very high	95.9	Very high	26 Å²	26	32 Å²	32	10%	0.098	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	137.7	-174.4	-174.9	-176.2	70.9	-145.1	-14.4	110.6	T523 T524 V631 R632 Y642 P644 D651 P684	T523-R649 WeakPolarHBondContact O-CA 3.46Å; T524-R649 HydrophobicContact CG2-CB 4.3Å; T524-R649 VanDerWaalsContact OG1-CG 3.29Å; T524-R649 WeakPolarHBondContact OG1-CG 3.3Å; V631-R649 CarbonylContact C-O 3.59Å; V631-R649 VanDerWaalsContact CA-O 3.24Å; V631-R649 WeakPolarHBondContact CA-O 3.44Å; V631-R649 WeakPolarHBondContact CG1-O 3.15Å; R632-R649 PolarHBondContact N-O 3.07Å; R632-R649 PolarHBondContact O-N 3.24Å; Y642-R649 PolarHBondContact O-NH2 3.4Å; P644-R649 HydrophobicContact CB-CB 3.89Å; P644-R649 HydrophobicContact CG-CB 3.85Å; R649-D651 IonicContact CZ-OD1 3.62Å; R649-D651 IonicContact CZ-OD2 3.16Å; R649-D651 IonicContact NE-OD1 3.97Å; R649-D651 PolarHBondContact NE-OD1 2.63Å; R649-D651 IonicContact NE-OD2 2.89Å; R649-D651 VanDerWaalsContact NH2-CG 3.34Å; R649-D651 IonicContact NH2-OD1 2.78Å; R649-D651 PolarHBondContact NH2-OD1 3.37Å; R649-D651 IonicContact NH2-OD2 3.21Å; R649-D651 PolarHBondContact NH2-OD2 2.96Å; R649-P684 VanDerWaalsContact NE-CB 3.26Å
650	Y	98.6	Very high	96.6	Very high	2 Å²	2	30.7 Å²	30.7	1%	0.008	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	121.5	172.5	173.9	-126.7	0	0	0	110.2	I519 V521 G522 T523 V536 R629 V630 I653	I519-Y650 HydrophobicContact CG2-CD1 4.37Å; I519-Y650 WeakPolarHBondContact O-CE1 3.2Å; V521-Y650 HydrophobicContact CG2-CD1 4.21Å; V521-Y650 HydrophobicContact CG2-CE1 3.81Å; G522-Y650 PolarHBondContact N-O 3.36Å; T523-Y650 PolarHBondContact O-N 2.98Å; V536-Y650 HydrophobicContact CG1-CD2 3.74Å; V536-Y650 HydrophobicContact CG1-CE2 4.35Å; V536-Y650 HydrophobicContact CG1-CG 4.13Å; R629-Y650 HydrophobicContact CB-CD2 4.49Å; R629-Y650 HydrophobicContact CB-CE2 3.81Å; R629-Y650 HydrophobicContact CG-CE2 3.99Å; V630-Y650 WeakPolarHBondContact O-CD2 3.36Å; Y650-I653 WeakPolarHBondContact OH-CD1 3.37Å
651	D	98.6	Very high	96.9	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	4.9	-170.5	-70.9	2.3	0	0	0	113.4	V630 R632 R649 R677 W685	V630-D651 PolarHBondContact O-N 3.49Å; R632-D651 WeakPolarHBondContact CB-OD2 3.45Å; R632-D651 WeakPolarHBondContact CD-OD2 3.32Å; R632-D651 WeakPolarHBondContact CG-OD2 3.41Å; R632-D651 IonicContact CZ-OD2 3.94Å; R632-D651 IonicContact NE-OD2 2.81Å; R632-D651 IonicContact NH1-OD2 3.8Å; R632-D651 PolarHBondContact NH1-OD2 3.15Å; R649-D651 IonicContact CZ-OD1 3.62Å; R649-D651 IonicContact CZ-OD2 3.16Å; R649-D651 IonicContact NE-OD1 3.97Å; R649-D651 PolarHBondContact NE-OD1 2.63Å; R649-D651 IonicContact NE-OD2 2.89Å; R649-D651 VanDerWaalsContact NH2-CG 3.34Å; R649-D651 IonicContact NH2-OD1 2.78Å; R649-D651 PolarHBondContact NH2-OD1 3.37Å; R649-D651 IonicContact NH2-OD2 3.21Å; R649-D651 PolarHBondContact NH2-OD2 2.96Å; D651-R677 PolarHBondContact O-NE 3.39Å; D651-R677 PolarHBondContact O-NH2 3.47Å; D651-R677 VanDerWaalsContact O-NH2 3.17Å; D651-W685 HydrophobicContact CB-CZ3 4.29Å; D651-W685 WeakPolarHBondContact OD2-CZ3 3.22Å
652	G	97.9	Very high	96.9	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	102.4	-162.6	176	0	0	0	0	0	115.1	V521 V630 D679	V521-G652 VanDerWaalsContact CG2-CA 3.44Å; V630-G652 PolarHBondContact N-O 3.16Å; G652-D679 WeakPolarHBondContact CA-OD2 3.29Å
653	I	98.6	Very high	96.7	Very high	9 Å²	9	30.2 Å²	30.2	5%	0.046	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	135.7	-176.5	-59.6	-53	0	0	0	112.2	P515 P627 R629 Y650 R677 D678 D679	P515-I653 HydrophobicContact CG-CD1 4.13Å; P515-I653 HydrophobicContact CG-CG1 3.88Å; P627-I653 HydrophobicContact CB-CG2 3.36Å; R629-I653 HydrophobicContact CB-CD1 4.42Å; R629-I653 HydrophobicContact CG-CD1 3.69Å; Y650-I653 WeakPolarHBondContact OH-CD1 3.37Å; I653-R677 WeakPolarHBondContact O-CG 3.11Å; I653-D678 WeakPolarHBondContact CG2-O 3.46Å; I653-D678 CarbonylContact O-C 3.43Å; I653-D678 PolarHBondContact O-N 2.92Å; I653-D679 HydrophobicContact CB-CB 4.09Å; I653-D679 PolarHBondContact N-OD2 3.46Å
654	Y	98.8	Very high	96.3	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	155.9	176.2	-63.4	-115.7	0	0	0	109	G568 F571 V628 V630 R632 R676 R677 W685	G568-Y654 WeakPolarHBondContact O-CE1 3.26Å; G568-Y654 PolarHBondContact O-OH 2.81Å; F571-Y654 HydrophobicContact CD1-CD1 4.05Å; F571-Y654 AromaticContact CD1-CE1 3.93Å; F571-Y654 HydrophobicContact CD1-CE1 3.93Å; F571-Y654 AromaticContact CE1-CD1 3.47Å; F571-Y654 HydrophobicContact CE1-CD1 3.47Å; F571-Y654 VanDerWaalsContact CE1-CD1 3.47Å; F571-Y654 AromaticContact CE1-CE1 3.61Å; F571-Y654 HydrophobicContact CE1-CE1 3.61Å; F571-Y654 HydrophobicContact CE1-CG 4.01Å; F571-Y654 HydrophobicContact CZ-CD1 4.46Å; V628-Y654 PolarHBondContact N-O 2.78Å; V628-Y654 PolarHBondContact O-N 2.88Å; V630-Y654 HydrophobicContact CB-CD2 3.51Å; V630-Y654 HydrophobicContact CB-CE2 3.61Å; V630-Y654 HydrophobicContact CB-CG 4.32Å; V630-Y654 HydrophobicContact CG1-CD2 4.35Å; V630-Y654 HydrophobicContact CG1-CE2 4.14Å; V630-Y654 HydrophobicContact CG2-CD1 4.46Å; V630-Y654 HydrophobicContact CG2-CD2 3.23Å; V630-Y654 HydrophobicContact CG2-CE2 3.87Å; V630-Y654 HydrophobicContact CG2-CG 3.62Å; R632-Y654 PolarHBondContact NH1-OH 2.77Å; Y654-R676 CarbonylContact C-O 3.55Å; Y654-R676 WeakPolarHBondContact CA-O 3.45Å; Y654-R676 WeakPolarHBondContact CB-O 3.44Å; Y654-R677 HydrophobicContact CD1-CB 3.81Å; Y654-R677 HydrophobicContact CD1-CG 4.27Å; Y654-R677 HydrophobicContact CD2-CG 4.3Å; Y654-R677 HydrophobicContact CE1-CB 3.61Å; Y654-R677 HydrophobicContact CE1-CG 3.92Å; Y654-R677 HydrophobicContact CE2-CB 4.49Å; Y654-R677 HydrophobicContact CE2-CG 3.92Å; Y654-R677 HydrophobicContact CG-CB 4.35Å; Y654-R677 HydrophobicContact CG-CG 4.45Å; Y654-W685 WeakPolarHBondContact OH-CH2 3.36Å
655	K	98.6	Very high	95.8	Very high	31 Å²	31	36.7 Å²	36.7	14%	0.135	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	150.2	176.6	-70.6	171.7	-179.5	169.8	0	110.4	W622 R623 G625 V657 L675 R676 D678	W622-K655 HydrophobicContact CE3-CB 4.14Å; W622-K655 WeakPolarHBondContact O-CB 3.31Å; R623-K655 WeakPolarHBondContact O-CD 3.3Å; R623-K655 PolarHBondContact O-NZ 3.31Å; G625-K655 WeakPolarHBondContact O-CD 3.28Å; G625-K655 WeakPolarHBondContact O-CE 3.16Å; G625-K655 WeakPolarHBondContact O-CG 3.48Å; K655-V657 PolarHBondContact O-N 2.81Å; K655-L675 WeakPolarHBondContact O-CA 3.26Å; K655-R676 PolarHBondContact N-O 3.29Å; K655-R676 PolarHBondContact O-N 2.89Å; K655-D678 HydrophobicContact CD-CB 4.11Å; K655-D678 VanDerWaalsContact CD-OD2 3.3Å; K655-D678 WeakPolarHBondContact CD-OD2 3.31Å; K655-D678 VanDerWaalsContact CE-OD2 3.24Å; K655-D678 WeakPolarHBondContact CE-OD2 3.3Å; K655-D678 HydrophobicContact CG-CB 4.45Å; K655-D678 IonicContact NZ-OD2 3.59Å; K655-D678 PolarHBondContact NZ-OD2 2.85Å
656	V	98.6	Very high	95.3	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	108.3	-177.8	178.8	0	0	0	0	109	L603 N606 C607 Y659 Y673 L675	L603-V656 HydrophobicContact CD1-CG2 3.83Å; L603-V656 HydrophobicContact CG-CG2 4.26Å; N606-V656 HydrophobicContact CB-CB 4.24Å; N606-V656 HydrophobicContact CB-CG2 3.78Å; C607-V656 HydrophobicContact CB-CB 4.16Å; C607-V656 HydrophobicContact CB-CG1 3.86Å; C607-V656 PolarHBondContact SG-O 2.85Å; V656-Y659 HydrophobicContact CG1-CD1 4.47Å; V656-Y673 HydrophobicContact CG1-CD1 4.5Å; V656-L675 HydrophobicContact CG2-CD1 4.29Å; V656-L675 HydrophobicContact CG2-CD2 4.23Å; V656-L675 HydrophobicContact CG2-CG 3.97Å
657	V	98.5	Very high	94.9	Very high	8 Å²	8	31.9 Å²	31.9	5%	0.048	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	-45.2	176.4	-176.2	0	0	0	0	110.1	C607 S619 W622 K655 L674 R676	C607-V657 PolarHBondContact SG-O 2.85Å; S619-V657 WeakPolarHBondContact CB-O 3.32Å; S619-V657 PolarHBondContact N-O 3.19Å; W622-V657 HydrophobicContact CB-CB 4.21Å; W622-V657 HydrophobicContact CB-CG1 4.19Å; W622-V657 HydrophobicContact CB-CG2 4.07Å; W622-V657 HydrophobicContact CD2-CG2 4.01Å; W622-V657 HydrophobicContact CE3-CG2 4.03Å; W622-V657 HydrophobicContact CG-CG1 4.35Å; W622-V657 HydrophobicContact CG-CG2 4.01Å; K655-V657 PolarHBondContact O-N 2.81Å; V657-L674 HydrophobicContact CB-CB 4.39Å; V657-L674 HydrophobicContact CB-CD2 4.11Å; V657-L674 HydrophobicContact CB-CG 4.21Å; V657-L674 HydrophobicContact CG1-CD2 4.2Å; V657-L674 HydrophobicContact CG2-CG 4.49Å; V657-L674 PolarHBondContact N-O 2.94Å; V657-R676 HydrophobicContact CG2-CB 3.6Å
658	K	98.3	Very high	94.7	Very high	59 Å²	59	35.6 Å²	35.6	26%	0.257	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.5	164.5	175.1	71.2	-165	-171.2	-177.2	0	112.9	A617 E618 W660 Y673 L674	A617-K658 VanDerWaalsContact O-CA 3.23Å; A617-K658 WeakPolarHBondContact O-CA 3.08Å; A617-K658 VanDerWaalsContact O-CB 3.27Å; A617-K658 WeakPolarHBondContact O-CB 3.34Å; E618-K658 HydrophobicContact CB-CB 3.68Å; E618-K658 HydrophobicContact CB-CD 3.96Å; E618-K658 HydrophobicContact CG-CB 3.91Å; E618-K658 HydrophobicContact CG-CD 3.71Å; E618-K658 WeakPolarHBondContact OE1-CD 3.35Å; E618-K658 IonicContact OE1-NZ 3.48Å; E618-K658 PolarHBondContact OE1-NZ 3.37Å; E618-K658 VanDerWaalsContact OE2-CD 3.25Å; E618-K658 WeakPolarHBondContact OE2-CD 3.45Å; E618-K658 IonicContact OE2-NZ 3.62Å; E618-K658 PolarHBondContact OE2-NZ 3.28Å; K658-W660 HydrophobicContact CG-CE3 3.82Å; K658-W660 HydrophobicContact CG-CZ3 3.71Å; K658-Y673 CarbonylContact O-C 3.57Å; K658-Y673 WeakPolarHBondContact O-CA 3.29Å; K658-L674 HydrophobicContact CG-CB 3.98Å; K658-L674 HydrophobicContact CG-CD2 4.38Å; K658-L674 PolarHBondContact O-N 3.41Å
659	Y	98.4	Very high	94.2	Very high	2 Å²	2	37.5 Å²	37.5	1%	0.008	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	147.2	172.2	63.6	-77.9	0	0	0	110.1	L596 A604 C607 P610 L611 N612 G616 A617 V656 W671 R672 Y673	L596-Y659 HydrophobicContact CD2-CE2 4.02Å; A604-Y659 HydrophobicContact CB-CD1 4.06Å; A604-Y659 HydrophobicContact CB-CD2 3.66Å; A604-Y659 HydrophobicContact CB-CE1 4.03Å; A604-Y659 HydrophobicContact CB-CE2 3.61Å; A604-Y659 HydrophobicContact CB-CG 3.91Å; C607-Y659 HydrophobicContact CB-CD1 3.86Å; C607-Y659 HydrophobicContact CB-CE1 3.81Å; P610-Y659 PolarHBondContact O-OH 3.05Å; L611-Y659 WeakPolarHBondContact CA-OH 3.48Å; L611-Y659 HydrophobicContact CD1-CE2 4.45Å; N612-Y659 PolarHBondContact N-OH 2.84Å; N612-Y659 WeakPolarHBondContact O-CE2 3.48Å; G616-Y659 CarbonylContact C-O 3.57Å; G616-Y659 VanDerWaalsContact CA-O 3.26Å; G616-Y659 WeakPolarHBondContact CA-O 3.36Å; A617-Y659 HydrophobicContact CB-CE1 3.76Å; A617-Y659 WeakPolarHBondContact CB-OH 3.49Å; A617-Y659 PolarHBondContact N-O 2.9Å; A617-Y659 PolarHBondContact O-N 3.32Å; V656-Y659 HydrophobicContact CG1-CD1 4.47Å; Y659-W671 HydrophobicContact CD2-CE3 4.08Å; Y659-W671 AromaticContact CD2-CZ3 3.81Å; Y659-W671 HydrophobicContact CD2-CZ3 3.81Å; Y659-W671 HydrophobicContact CE2-CZ3 4.18Å; Y659-R672 CarbonylContact C-O 3.57Å; Y659-R672 WeakPolarHBondContact CA-O 3.15Å; Y659-R672 WeakPolarHBondContact CB-O 3.37Å; Y659-Y673 VanDerWaalsContact CB-CD1 3.44Å; Y659-Y673 HydrophobicContact CG-CD1 4.34Å; Y659-Y673 HydrophobicContact CG-CE1 4.27Å
660	W	98	Very high	94	Very high	57 Å²	57	36.3 Å²	36.3	22%	0.216	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.8	155.2	-177.1	67.1	101.2	0	0	0	110.8	T572 K658 E662 R672 L674	T572-W660 HydrophobicContact CG2-CH2 3.8Å; T572-W660 HydrophobicContact CG2-CZ2 4.13Å; K658-W660 HydrophobicContact CG-CE3 3.82Å; K658-W660 HydrophobicContact CG-CZ3 3.71Å; W660-E662 PolarHBondContact NE1-OE2 2.83Å; W660-R672 HydrophobicContact CD2-CB 4.08Å; W660-R672 HydrophobicContact CE3-CB 4.41Å; W660-R672 HydrophobicContact CH2-CB 4.08Å; W660-R672 HydrophobicContact CZ2-CB 3.72Å; W660-R672 HydrophobicContact CZ3-CB 4.4Å; W660-R672 PolarHBondContact N-O 3.29Å; W660-R672 PolarHBondContact O-N 2.9Å; W660-L674 HydrophobicContact CH2-CB 4.36Å; W660-L674 HydrophobicContact CZ3-CB 3.96Å
661	P	96.4	Very high	93.8	Very high	32 Å²	32	36.6 Å²	36.6	21%	0.208	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	143.7	167.1	31	-25.4	0	0	0	111	K614 D615 L669 V670 W671	K614-P661 VanDerWaalsContact O-CG 3.28Å; K614-P661 WeakPolarHBondContact O-CG 3.4Å; D615-P661 WeakPolarHBondContact O-CD 3.33Å; P661-L669 HydrophobicContact CB-CD1 4.04Å; P661-L669 HydrophobicContact CB-CD2 3.78Å; P661-L669 HydrophobicContact CB-CG 3.97Å; P661-V670 WeakPolarHBondContact CA-O 3.44Å; P661-W671 HydrophobicContact CB-CD2 4.21Å; P661-W671 HydrophobicContact CB-CE3 4.36Å; P661-W671 HydrophobicContact CB-CH2 4.13Å; P661-W671 HydrophobicContact CB-CZ2 3.93Å; P661-W671 HydrophobicContact CB-CZ3 4.33Å; P661-W671 HydrophobicContact CG-CH2 3.83Å; P661-W671 HydrophobicContact CG-CZ2 4.03Å; P661-W671 HydrophobicContact CG-CZ3 4.15Å
662	E	93.9	Very high	93.6	Very high	71 Å²	71	38 Å²	38	33%	0.332	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	149.1	178.4	-166.7	178.2	133.9	0	0	109.1	W660 G664 L669 V670 R672	W660-E662 PolarHBondContact NE1-OE2 2.83Å; E662-G664 PolarHBondContact O-N 2.87Å; E662-L669 CarbonylContact O-C 3.58Å; E662-L669 WeakPolarHBondContact O-CA 3.41Å; E662-V670 PolarHBondContact N-O 2.83Å; E662-V670 PolarHBondContact O-N 2.86Å; E662-R672 HydrophobicContact CB-CG 4.29Å; E662-R672 IonicContact OE1-CZ 2.73Å; E662-R672 IonicContact OE1-NH1 2.87Å; E662-R672 PolarHBondContact OE1-NH1 2.86Å; E662-R672 WeakPolarHBondContact OE2-CD 3.41Å; E662-R672 IonicContact OE2-CZ 3.32Å; E662-R672 IonicContact OE2-NE 3.67Å; E662-R672 IonicContact OE2-NH1 2.7Å; E662-R672 PolarHBondContact OE2-NH1 3.36Å
663	I	92.8	Very high	93.6	Very high	111 Å²	111	38 Å²	38	57%	0.569	20%	0.195	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-75.4	111.8	168.1	-55.8	-56.5	0	0	0	107.7	L669	I663-L669 HydrophobicContact CD1-CB 4.01Å
664	G	87.1	Confident	93.6	Very high	7 Å²	7	38.5 Å²	38.5	7%	0.072	20%	0.198	C	C	.	.			trans	-73.7	173.4	178.7	0	0	0	0	0	112.4	D563 E662 C666 G667 Y668	D563-G664 VanDerWaalsContact OD2-CA 3.31Å; D563-G664 WeakPolarHBondContact OD2-CA 3.17Å; E662-G664 PolarHBondContact O-N 2.87Å; G664-C666 PolarHBondContact O-N 2.89Å; G664-G667 PolarHBondContact O-N 3.38Å; G664-Y668 PolarHBondContact N-O 2.65Å
665	K	84.3	Confident	93.6	Very high	143 Å²	143	38.5 Å²	38.5	62%	0.622	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-23.3	177.3	-73.8	166.9	-164.5	157.4	0	113.7	E562 D563 G667	E562-K665 HydrophobicContact CB-CD 4.16Å; E562-K665 PolarHBondContact O-NZ 2.82Å; D563-K665 WeakPolarHBondContact OD1-CD 3.43Å; D563-K665 WeakPolarHBondContact OD1-CE 3.33Å; D563-K665 VanDerWaalsContact OD1-CG 3.24Å; D563-K665 WeakPolarHBondContact OD1-CG 3.31Å; D563-K665 IonicContact OD1-NZ 3.67Å; D563-K665 PolarHBondContact OD1-NZ 3Å; D563-K665 PolarHBondContact OD2-N 3.01Å; K665-G667 PolarHBondContact O-N 3.43Å
666	C	80.6	Confident	93.6	Very high	45 Å²	45	41.2 Å²	41.2	30%	0.304	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-3.5	174.3	59.3	0	0	0	0	114.9	H590 G664 Y668	H590-C666 HydrophobicContact CB-CB 3.63Å; G664-C666 PolarHBondContact O-N 2.89Å; C666-Y668 VanDerWaalsContact C-N 3.29Å; C666-Y668 HydrophobicContact CB-CD2 4.38Å; C666-Y668 VanDerWaalsContact O-CD2 3.23Å; C666-Y668 WeakPolarHBondContact O-CD2 3.3Å; C666-Y668 PolarHBondContact O-N 3.21Å
667	G	85.2	Confident	93.6	Very high	55 Å²	55	42.6 Å²	42.6	57%	0.567	21%	0.212	S	C	*	.	S	Bend	trans	81.1	1.4	179.4	0	0	0	0	0	115.3	G664 K665	G664-G667 PolarHBondContact O-N 3.38Å; K665-G667 PolarHBondContact O-N 3.43Å
668	Y	88.8	Confident	93.6	Very high	83 Å²	83	43.9 Å²	43.9	33%	0.325	22%	0.219	S	C	.	.	S	Bend	trans	-111	157.2	177.2	-61.1	-79.5	0	0	0	111.3	H590 S591 F592 G664 C666 V670	H590-Y668 HydrophobicContact CB-CD2 3.95Å; H590-Y668 VanDerWaalsContact O-CE2 3.32Å; H590-Y668 WeakPolarHBondContact O-CE2 3.28Å; S591-Y668 VanDerWaalsContact C-CZ 3.49Å; F592-Y668 VanDerWaalsContact CA-CD1 3.5Å; G664-Y668 PolarHBondContact N-O 2.65Å; C666-Y668 VanDerWaalsContact C-N 3.29Å; C666-Y668 HydrophobicContact CB-CD2 4.38Å; C666-Y668 VanDerWaalsContact O-CD2 3.23Å; C666-Y668 WeakPolarHBondContact O-CD2 3.3Å; C666-Y668 PolarHBondContact O-N 3.21Å; Y668-V670 PolarHBondContact O-N 2.89Å
669	L	89	Confident	93.5	Very high	46 Å²	46	42.8 Å²	42.8	24%	0.241	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	126	172	-172.7	158.6	0	0	0	109.9	D593 Q594 P661 E662 I663	D593-L669 HydrophobicContact CB-CB 3.93Å; D593-L669 WeakPolarHBondContact OD1-CB 3.17Å; D593-L669 PolarHBondContact OD1-N 3.16Å; Q594-L669 WeakPolarHBondContact CB-O 3.47Å; Q594-L669 PolarHBondContact N-O 3.23Å; Q594-L669 VanDerWaalsContact O-CD2 3.32Å; Q594-L669 WeakPolarHBondContact O-CD2 3.4Å; P661-L669 HydrophobicContact CB-CD1 4.04Å; P661-L669 HydrophobicContact CB-CD2 3.78Å; P661-L669 HydrophobicContact CB-CG 3.97Å; E662-L669 CarbonylContact O-C 3.58Å; E662-L669 WeakPolarHBondContact O-CA 3.41Å; I663-L669 HydrophobicContact CD1-CB 4.01Å
670	V	92.3	Very high	93.3	Very high	1 Å²	1	51.3 Å²	51.3	1%	0.006	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	145.8	172	-63.3	0	0	0	0	109.9	T574 Q594 P661 E662 Y668 R672	T574-V670 HydrophobicContact CG2-CB 3.91Å; T574-V670 HydrophobicContact CG2-CG1 4.29Å; T574-V670 HydrophobicContact CG2-CG2 4.22Å; Q594-V670 HydrophobicContact CG-CG1 4.31Å; P661-V670 WeakPolarHBondContact CA-O 3.44Å; E662-V670 PolarHBondContact N-O 2.83Å; E662-V670 PolarHBondContact O-N 2.86Å; Y668-V670 PolarHBondContact O-N 2.89Å; V670-R672 HydrophobicContact CG2-CG 4.13Å
671	W	94.7	Very high	93.2	Very high	9 Å²	9	51.2 Å²	51.2	3%	0.034	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	127.2	172.5	-79.2	85.3	0	0	0	109.7	T574 G575 Q594 L596 D613 Y659 P661 Y673	T574-W671 CarbonylContact C-O 3.51Å; G575-W671 PolarHBondContact N-O 2.78Å; Q594-W671 PolarHBondContact O-NE1 3.3Å; L596-W671 HydrophobicContact CB-CD2 4.27Å; L596-W671 HydrophobicContact CB-CH2 4.31Å; L596-W671 HydrophobicContact CB-CZ2 3.83Å; L596-W671 HydrophobicContact CD1-CD2 3.85Å; L596-W671 HydrophobicContact CD1-CE3 3.84Å; L596-W671 HydrophobicContact CD1-CG 4.3Å; L596-W671 HydrophobicContact CD1-CZ3 4.22Å; L596-W671 HydrophobicContact CD2-CH2 4.1Å; L596-W671 HydrophobicContact CD2-CZ2 4.47Å; L596-W671 HydrophobicContact CD2-CZ3 4.19Å; D613-W671 WeakPolarHBondContact O-CZ2 3.4Å; Y659-W671 HydrophobicContact CD2-CE3 4.08Å; Y659-W671 AromaticContact CD2-CZ3 3.81Å; Y659-W671 HydrophobicContact CD2-CZ3 3.81Å; Y659-W671 HydrophobicContact CE2-CZ3 4.18Å; P661-W671 HydrophobicContact CB-CD2 4.21Å; P661-W671 HydrophobicContact CB-CE3 4.36Å; P661-W671 HydrophobicContact CB-CH2 4.13Å; P661-W671 HydrophobicContact CB-CZ2 3.93Å; P661-W671 HydrophobicContact CB-CZ3 4.33Å; P661-W671 HydrophobicContact CG-CH2 3.83Å; P661-W671 HydrophobicContact CG-CZ2 4.03Å; P661-W671 HydrophobicContact CG-CZ3 4.15Å; W671-Y673 HydrophobicContact CB-CE2 3.83Å; W671-Y673 WeakPolarHBondContact O-CE2 3.4Å
672	R	95.9	Very high	93.3	Very high	28 Å²	28	51.7 Å²	51.7	11%	0.106	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	146.2	-178.4	-56.5	-171.4	83.9	-172.6	11.9	110.4	D563 T572 Y573 Y659 W660 E662 V670	D563-R672 PolarHBondContact O-NH2 3.19Å; T572-R672 HydrophobicContact CG2-CB 4.03Å; Y573-R672 WeakPolarHBondContact O-CA 3.39Å; Y659-R672 CarbonylContact C-O 3.57Å; Y659-R672 WeakPolarHBondContact CA-O 3.15Å; Y659-R672 WeakPolarHBondContact CB-O 3.37Å; W660-R672 HydrophobicContact CD2-CB 4.08Å; W660-R672 HydrophobicContact CE3-CB 4.41Å; W660-R672 HydrophobicContact CH2-CB 4.08Å; W660-R672 HydrophobicContact CZ2-CB 3.72Å; W660-R672 HydrophobicContact CZ3-CB 4.4Å; W660-R672 PolarHBondContact N-O 3.29Å; W660-R672 PolarHBondContact O-N 2.9Å; E662-R672 HydrophobicContact CB-CG 4.29Å; E662-R672 IonicContact OE1-CZ 2.73Å; E662-R672 IonicContact OE1-NH1 2.87Å; E662-R672 PolarHBondContact OE1-NH1 2.86Å; E662-R672 WeakPolarHBondContact OE2-CD 3.41Å; E662-R672 IonicContact OE2-CZ 3.32Å; E662-R672 IonicContact OE2-NE 3.67Å; E662-R672 IonicContact OE2-NH1 2.7Å; E662-R672 PolarHBondContact OE2-NH1 3.36Å; V670-R672 HydrophobicContact CG2-CG 4.13Å
673	Y	97.8	Very high	93.4	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	120.4	-175.1	-54.7	-99.3	0	0	0	109.2	T572 Y573 L596 N600 L603 A604 V656 K658 Y659 W671	T572-Y673 CarbonylContact C-O 3.5Å; T572-Y673 WeakPolarHBondContact CA-O 3.32Å; Y573-Y673 PolarHBondContact N-O 3.08Å; Y573-Y673 PolarHBondContact O-N 3.45Å; L596-Y673 WeakPolarHBondContact CD1-OH 3.44Å; N600-Y673 VanDerWaalsContact C-OH 3.28Å; N600-Y673 VanDerWaalsContact CA-OH 3.25Å; N600-Y673 WeakPolarHBondContact CA-OH 3.48Å; N600-Y673 VanDerWaalsContact CB-OH 3.29Å; N600-Y673 WeakPolarHBondContact CB-OH 3.03Å; N600-Y673 PolarHBondContact O-OH 2.94Å; L603-Y673 HydrophobicContact CB-CD1 4.11Å; L603-Y673 HydrophobicContact CB-CE1 3.89Å; L603-Y673 HydrophobicContact CD2-CD1 3.75Å; L603-Y673 HydrophobicContact CD2-CD2 3.8Å; L603-Y673 HydrophobicContact CD2-CE1 4.16Å; L603-Y673 HydrophobicContact CD2-CE2 4.21Å; L603-Y673 HydrophobicContact CD2-CG 3.58Å; L603-Y673 HydrophobicContact CG-CD1 3.61Å; L603-Y673 HydrophobicContact CG-CE1 3.94Å; L603-Y673 HydrophobicContact CG-CG 3.98Å; A604-Y673 HydrophobicContact CB-CE1 4.13Å; V656-Y673 HydrophobicContact CG1-CD1 4.5Å; K658-Y673 CarbonylContact O-C 3.57Å; K658-Y673 WeakPolarHBondContact O-CA 3.29Å; Y659-Y673 VanDerWaalsContact CB-CD1 3.44Å; Y659-Y673 HydrophobicContact CG-CD1 4.34Å; Y659-Y673 HydrophobicContact CG-CE1 4.27Å; W671-Y673 HydrophobicContact CB-CE2 3.83Å; W671-Y673 WeakPolarHBondContact O-CE2 3.4Å
674	L	98.3	Very high	93.6	Very high	21 Å²	21	43.4 Å²	43.4	11%	0.11	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	111.4	171.4	-175.1	64.3	0	0	0	108.7	E570 V657 K658 W660	E570-L674 HydrophobicContact CG-CD1 3.61Å; E570-L674 HydrophobicContact CG-CG 4.38Å; V657-L674 HydrophobicContact CB-CB 4.39Å; V657-L674 HydrophobicContact CB-CD2 4.11Å; V657-L674 HydrophobicContact CB-CG 4.21Å; V657-L674 HydrophobicContact CG1-CD2 4.2Å; V657-L674 HydrophobicContact CG2-CG 4.49Å; V657-L674 PolarHBondContact N-O 2.94Å; K658-L674 HydrophobicContact CG-CB 3.98Å; K658-L674 HydrophobicContact CG-CD2 4.38Å; K658-L674 PolarHBondContact O-N 3.41Å; W660-L674 HydrophobicContact CH2-CB 4.36Å; W660-L674 HydrophobicContact CZ3-CB 3.96Å
675	L	98.6	Very high	94.1	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	137.3	173.4	-76.3	93.7	0	0	0	110.4	L555 E570 F571 V628 K655 V656	L555-L675 HydrophobicContact CD2-CD1 4.21Å; L555-L675 HydrophobicContact CD2-CD2 3.88Å; E570-L675 CarbonylContact C-O 3.54Å; E570-L675 VanDerWaalsContact CA-O 3.31Å; E570-L675 WeakPolarHBondContact CA-O 3.35Å; F571-L675 HydrophobicContact CD1-CB 4.36Å; F571-L675 HydrophobicContact CD2-CB 4.33Å; F571-L675 HydrophobicContact CE1-CB 3.92Å; F571-L675 HydrophobicContact CE2-CB 3.9Å; F571-L675 HydrophobicContact CE2-CD1 3.92Å; F571-L675 HydrophobicContact CE2-CD2 4.38Å; F571-L675 HydrophobicContact CE2-CG 4.28Å; F571-L675 HydrophobicContact CZ-CB 3.67Å; F571-L675 HydrophobicContact CZ-CD1 4.32Å; F571-L675 HydrophobicContact CZ-CD2 3.97Å; F571-L675 HydrophobicContact CZ-CG 4.19Å; F571-L675 PolarHBondContact N-O 2.76Å; F571-L675 PolarHBondContact O-N 3.39Å; V628-L675 HydrophobicContact CB-CD2 4.17Å; V628-L675 HydrophobicContact CG1-CD2 4.33Å; V628-L675 HydrophobicContact CG2-CD2 4.22Å; K655-L675 WeakPolarHBondContact O-CA 3.26Å; V656-L675 HydrophobicContact CG2-CD1 4.29Å; V656-L675 HydrophobicContact CG2-CD2 4.23Å; V656-L675 HydrophobicContact CG2-CG 3.97Å
676	R	98.6	Very high	94.7	Very high	88 Å²	88	40.4 Å²	40.4	33%	0.332	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	142.9	175.6	-171.6	-179.9	-69.6	158.9	-5.2	110.5	D569 E570 W622 Y654 K655 V657	D569-R676 CarbonylContact O-C 3.55Å; D569-R676 WeakPolarHBondContact O-CA 3.33Å; E570-R676 IonicContact OE2-CZ 3.42Å; E570-R676 VanDerWaalsContact OE2-CZ 3.24Å; E570-R676 IonicContact OE2-NE 3.24Å; E570-R676 PolarHBondContact OE2-NE 3.24Å; E570-R676 IonicContact OE2-NH2 3.82Å; E570-R676 PolarHBondContact OE2-NH2 3.45Å; W622-R676 HydrophobicContact CE3-CB 4.18Å; W622-R676 HydrophobicContact CH2-CB 4.15Å; W622-R676 HydrophobicContact CH2-CG 3.81Å; W622-R676 HydrophobicContact CZ2-CG 4.32Å; W622-R676 HydrophobicContact CZ3-CB 3.81Å; W622-R676 HydrophobicContact CZ3-CG 4.01Å; Y654-R676 CarbonylContact C-O 3.55Å; Y654-R676 WeakPolarHBondContact CA-O 3.45Å; Y654-R676 WeakPolarHBondContact CB-O 3.44Å; K655-R676 PolarHBondContact N-O 3.29Å; K655-R676 PolarHBondContact O-N 2.89Å; V657-R676 HydrophobicContact CG2-CB 3.6Å
677	R	98.4	Very high	95.5	Very high	28 Å²	28	42.9 Å²	42.9	11%	0.106	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	135.8	-175.2	-158.2	170.6	-174.8	-88.5	-5.9	111.3	D569 D651 I653 Y654 D679 E681	D569-R677 HydrophobicContact CB-CB 4.25Å; D569-R677 WeakPolarHBondContact O-CB 3.46Å; D569-R677 PolarHBondContact O-N 3.4Å; D569-R677 WeakPolarHBondContact OD1-CD 3.34Å; D651-R677 PolarHBondContact O-NE 3.39Å; D651-R677 PolarHBondContact O-NH2 3.47Å; D651-R677 VanDerWaalsContact O-NH2 3.17Å; I653-R677 WeakPolarHBondContact O-CG 3.11Å; Y654-R677 HydrophobicContact CD1-CB 3.81Å; Y654-R677 HydrophobicContact CD1-CG 4.27Å; Y654-R677 HydrophobicContact CD2-CG 4.3Å; Y654-R677 HydrophobicContact CE1-CB 3.61Å; Y654-R677 HydrophobicContact CE1-CG 3.92Å; Y654-R677 HydrophobicContact CE2-CB 4.49Å; Y654-R677 HydrophobicContact CE2-CG 3.92Å; Y654-R677 HydrophobicContact CG-CB 4.35Å; Y654-R677 HydrophobicContact CG-CG 4.45Å; R677-D679 HydrophobicContact CG-CB 4.36Å; R677-E681 PolarHBondContact NH1-O 3.11Å; R677-E681 PolarHBondContact NH2-O 2.89Å
678	D	98	Very high	96	Very high	36 Å²	36	45.4 Å²	45.4	19%	0.193	22%	0.224	C	C	.	.			trans	-144.9	68.5	178.3	-166.6	34.1	0	0	0	108.5	W622 R623 I653 K655	W622-D678 HydrophobicContact CH2-CB 4.4Å; W622-D678 HydrophobicContact CZ3-CB 4.01Å; R623-D678 IonicContact CZ-OD1 3.2Å; R623-D678 IonicContact NH1-OD1 3.99Å; R623-D678 PolarHBondContact NH1-OD1 2.72Å; I653-D678 WeakPolarHBondContact CG2-O 3.46Å; I653-D678 CarbonylContact O-C 3.43Å; I653-D678 PolarHBondContact O-N 2.92Å; K655-D678 HydrophobicContact CD-CB 4.11Å; K655-D678 VanDerWaalsContact CD-OD2 3.3Å; K655-D678 WeakPolarHBondContact CD-OD2 3.31Å; K655-D678 VanDerWaalsContact CE-OD2 3.24Å; K655-D678 WeakPolarHBondContact CE-OD2 3.3Å; K655-D678 HydrophobicContact CG-CB 4.45Å; K655-D678 IonicContact NZ-OD2 3.59Å; K655-D678 PolarHBondContact NZ-OD2 2.85Å
679	D	97.4	Very high	96.4	Very high	36 Å²	36	41.6 Å²	41.6	19%	0.193	21%	0.21	C	C	.	.			trans	-141.1	139	-173.8	-164.2	-38.8	0	0	0	109.2	G652 I653 R677 E681	G652-D679 WeakPolarHBondContact CA-OD2 3.29Å; I653-D679 HydrophobicContact CB-CB 4.09Å; I653-D679 PolarHBondContact N-OD2 3.46Å; R677-D679 HydrophobicContact CG-CB 4.36Å; D679-E681 PolarHBondContact OD1-N 3.42Å
680	L	94.3	Very high	96.7	Very high	181 Å²	181	44.1 Å²	44.1	95%	0.948	22%	0.224	S	C	*	.	S	Bend	trans	-81.4	-22.2	-179.3	-60.2	176.6	0	0	0	112.5
681	E	95.7	Very high	96.9	Very high	55 Å²	55	50.5 Å²	50.5	26%	0.257	25%	0.253	S	S	.	.	S	Bend	trans	-75.4	137.3	176.5	-55.7	-161.6	153.4	0	0	110	V521 R677 D679 R692	V521-E681 HydrophobicContact CB-CB 3.99Å; V521-E681 WeakPolarHBondContact CB-OE2 3.06Å; V521-E681 HydrophobicContact CG2-CB 3.9Å; V521-E681 HydrophobicContact CG2-CG 4.39Å; V521-E681 VanDerWaalsContact CG2-OE2 3.26Å; V521-E681 WeakPolarHBondContact CG2-OE2 3.48Å; V521-E681 PolarHBondContact N-OE2 3.31Å; R677-E681 PolarHBondContact NH1-O 3.11Å; R677-E681 PolarHBondContact NH2-O 2.89Å; D679-E681 PolarHBondContact OD1-N 3.42Å; E681-R692 VanDerWaalsContact CD-CZ 3.47Å; E681-R692 IonicContact OE1-CZ 2.94Å; E681-R692 IonicContact OE1-NH1 3.9Å; E681-R692 IonicContact OE1-NH2 2.72Å; E681-R692 PolarHBondContact OE1-NH2 2.91Å; E681-R692 IonicContact OE2-CZ 3.07Å; E681-R692 IonicContact OE2-NH1 3.9Å; E681-R692 PolarHBondContact OE2-NH1 3.17Å; E681-R692 IonicContact OE2-NH2 2.7Å; E681-R692 PolarHBondContact OE2-NH2 3.21Å
682	P	97	Very high	97	Very high	42 Å²	42	53.3 Å²	53.3	27%	0.273	26%	0.264	S	S	.	.	P	Polyproline II helix	trans	-63	145.9	-179.2	26.2	-34.9	0	0	0	111.8	E688 R692	P682-E688 HydrophobicContact CB-CB 3.94Å; P682-E688 HydrophobicContact CG-CB 4.33Å; P682-R692 HydrophobicContact CG-CB 4.34Å
683	A	97.6	Very high	97	Very high	3 Å²	3	53.6 Å²	53.6	3%	0.025	27%	0.267	C	S	.	.	P	Polyproline II helix	trans	-73.3	139.6	-174.6	0	0	0	0	0	111.4	W685 T686	A683-W685 HydrophobicContact CB-CD2 4.15Å; A683-W685 HydrophobicContact CB-CE3 4.45Å; A683-W685 HydrophobicContact CB-CH2 3.89Å; A683-W685 HydrophobicContact CB-CZ2 3.49Å; A683-W685 VanDerWaalsContact CB-CZ2 3.49Å; A683-W685 HydrophobicContact CB-CZ3 4.34Å; A683-W685 PolarHBondContact O-N 3.36Å; A683-T686 HydrophobicContact CB-CG2 4.17Å; A683-T686 PolarHBondContact O-N 3.3Å; A683-T686 PolarHBondContact O-OG1 2.82Å
684	P	97.3	Very high	96.9	Very high	4 Å²	4	62.1 Å²	62.1	3%	0.026	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-2.3	-167.8	-31.3	39.8	0	0	0	118.9	V521 R649 I693	V521-P684 HydrophobicContact CG1-CG 3.54Å; R649-P684 VanDerWaalsContact NE-CB 3.26Å; P684-I693 HydrophobicContact CB-CD1 3.88Å
685	W	95.8	Very high	96.8	Very high	57 Å²	57	69.8 Å²	69.8	22%	0.216	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.3	-4.3	179.2	56.3	77.4	0	0	0	113.2	Y642 D651 Y654 A683	Y642-W685 AromaticContact CD1-CD1 3.95Å; Y642-W685 AromaticContact CD1-CD2 3.67Å; Y642-W685 HydrophobicContact CD1-CD2 3.67Å; Y642-W685 AromaticContact CD1-CE2 3.67Å; Y642-W685 HydrophobicContact CD1-CE3 4.21Å; Y642-W685 AromaticContact CD1-CG 3.87Å; Y642-W685 HydrophobicContact CD1-CG 3.87Å; Y642-W685 HydrophobicContact CD1-CZ2 4.19Å; Y642-W685 AromaticContact CD1-NE1 3.84Å; Y642-W685 HydrophobicContact CE1-CD2 4.49Å; Y642-W685 HydrophobicContact CE1-CG 4.48Å; Y642-W685 AromaticContact CE1-NE1 3.92Å; D651-W685 HydrophobicContact CB-CZ3 4.29Å; D651-W685 WeakPolarHBondContact OD2-CZ3 3.22Å; Y654-W685 WeakPolarHBondContact OH-CH2 3.36Å; A683-W685 HydrophobicContact CB-CD2 4.15Å; A683-W685 HydrophobicContact CB-CE3 4.45Å; A683-W685 HydrophobicContact CB-CH2 3.89Å; A683-W685 HydrophobicContact CB-CZ2 3.49Å; A683-W685 VanDerWaalsContact CB-CZ2 3.49Å; A683-W685 HydrophobicContact CB-CZ3 4.34Å; A683-W685 PolarHBondContact O-N 3.36Å
686	T	97.3	Very high	96.6	Very high	31 Å²	31	73.8 Å²	73.8	19%	0.19	36%	0.358	C	S	.	.	S	Bend	trans	-85.2	159.3	173.8	78.1	0	0	0	0	110	A683 E688 G689 L690	A683-T686 HydrophobicContact CB-CG2 4.17Å; A683-T686 PolarHBondContact O-N 3.3Å; A683-T686 PolarHBondContact O-OG1 2.82Å; T686-E688 WeakPolarHBondContact CB-OE2 3.19Å; T686-E688 PolarHBondContact O-N 3.07Å; T686-E688 PolarHBondContact OG1-OE2 3.31Å; T686-G689 PolarHBondContact O-N 2.6Å; T686-G689 VanDerWaalsContact O-N 3.12Å; T686-G689 PolarHBondContact OG1-N 2.84Å; T686-L690 WeakPolarHBondContact O-CG 3.42Å; T686-L690 PolarHBondContact O-N 3.41Å
687	P	97.4	Very high	96.4	Very high	96 Å²	96	72.4 Å²	72.4	62%	0.623	37%	0.37	S	S	*	.	H	α-helix	trans	-54.2	-41.4	178.1	-26.3	36	0	0	0	112.9	L690 E691	P687-L690 PolarHBondContact O-N 3.03Å; P687-E691 WeakPolarHBondContact O-CB 3.29Å; P687-E691 PolarHBondContact O-N 2.99Å
688	E	96.9	Very high	96.2	Very high	108 Å²	108	73.3 Å²	73.3	51%	0.505	38%	0.377	S	S	.	.	H	α-helix	trans	-69.9	-36.2	-179.7	-43.6	73	-158.2	0	0	111.2	P682 T686 R692	P682-E688 HydrophobicContact CB-CB 3.94Å; P682-E688 HydrophobicContact CG-CB 4.33Å; T686-E688 WeakPolarHBondContact CB-OE2 3.19Å; T686-E688 PolarHBondContact O-N 3.07Å; T686-E688 PolarHBondContact OG1-OE2 3.31Å; E688-R692 WeakPolarHBondContact O-CB 3.49Å; E688-R692 PolarHBondContact O-N 3.07Å
689	G	96.6	Very high	96	Very high	3 Å²	3	75.1 Å²	75.1	3%	0.031	39%	0.393	C	S	.	.	H	α-helix	trans	-66.2	-42.6	173.5	0	0	0	0	0	112.3	T686 R692 I693	T686-G689 PolarHBondContact O-N 2.6Å; T686-G689 VanDerWaalsContact O-N 3.12Å; T686-G689 PolarHBondContact OG1-N 2.84Å; G689-R692 PolarHBondContact O-N 3.32Å; G689-I693 WeakPolarHBondContact O-CB 3.21Å; G689-I693 WeakPolarHBondContact O-CD1 3.34Å; G689-I693 VanDerWaalsContact O-CG1 3.22Å; G689-I693 WeakPolarHBondContact O-CG1 3.32Å; G689-I693 PolarHBondContact O-N 3.21Å
690	L	95.3	Very high	95.9	Very high	100 Å²	100	75.4 Å²	75.4	52%	0.524	40%	0.396	S	S	.	.	H	α-helix	trans	-66.9	-43.2	176.6	-68.4	169.8	0	0	0	111.9	T686 P687 I693 K694	T686-L690 WeakPolarHBondContact O-CG 3.42Å; T686-L690 PolarHBondContact O-N 3.41Å; P687-L690 PolarHBondContact O-N 3.03Å; L690-I693 PolarHBondContact O-N 3.31Å; L690-K694 PolarHBondContact O-N 2.91Å
691	E	96.7	Very high	95.8	Very high	135 Å²	135	71.2 Å²	71.2	63%	0.631	37%	0.371	S	S	*	.	H	α-helix	trans	-61.5	-45.2	173.4	-171.9	-174.6	-171.9	0	0	111.1	P687 I693 K694 K695	P687-E691 WeakPolarHBondContact O-CB 3.29Å; P687-E691 PolarHBondContact O-N 2.99Å; E691-I693 PolarHBondContact O-N 2.99Å; E691-K694 WeakPolarHBondContact O-CB 3.3Å; E691-K694 PolarHBondContact O-N 2.84Å; E691-K695 WeakPolarHBondContact O-CB 3.49Å; E691-K695 PolarHBondContact O-N 3.22Å
692	R	95.8	Very high	95.4	Very high	67 Å²	67	71.9 Å²	71.9	25%	0.253	37%	0.372	S	S	.	.	H	α-helix	trans	-62.2	-41.4	177.7	-175.3	173	-176.6	-104.1	5	112.4	E681 P682 E688 G689 K694 K695 L696	E681-R692 VanDerWaalsContact CD-CZ 3.47Å; E681-R692 IonicContact OE1-CZ 2.94Å; E681-R692 IonicContact OE1-NH1 3.9Å; E681-R692 IonicContact OE1-NH2 2.72Å; E681-R692 PolarHBondContact OE1-NH2 2.91Å; E681-R692 IonicContact OE2-CZ 3.07Å; E681-R692 IonicContact OE2-NH1 3.9Å; E681-R692 PolarHBondContact OE2-NH1 3.17Å; E681-R692 IonicContact OE2-NH2 2.7Å; E681-R692 PolarHBondContact OE2-NH2 3.21Å; P682-R692 HydrophobicContact CG-CB 4.34Å; E688-R692 WeakPolarHBondContact O-CB 3.49Å; E688-R692 PolarHBondContact O-N 3.07Å; G689-R692 PolarHBondContact O-N 3.32Å; R692-K694 VanDerWaalsContact C-N 3.34Å; R692-K694 PolarHBondContact O-N 2.87Å; R692-K695 PolarHBondContact O-N 2.68Å; R692-L696 HydrophobicContact CG-CD1 3.87Å; R692-L696 HydrophobicContact CG-CG 4.37Å; R692-L696 WeakPolarHBondContact O-CB 3.42Å; R692-L696 WeakPolarHBondContact O-CG 3.46Å; R692-L696 PolarHBondContact O-N 2.59Å
693	I	96	Very high	94.7	Very high	35 Å²	35	70.5 Å²	70.5	18%	0.179	36%	0.363	C	S	.	.	H	α-helix	trans	-59.1	-45.2	174	-77.8	167.2	0	0	0	111	P684 G689 L690 E691 L696 G697 L698	P684-I693 HydrophobicContact CB-CD1 3.88Å; G689-I693 WeakPolarHBondContact O-CB 3.21Å; G689-I693 WeakPolarHBondContact O-CD1 3.34Å; G689-I693 VanDerWaalsContact O-CG1 3.22Å; G689-I693 WeakPolarHBondContact O-CG1 3.32Å; G689-I693 PolarHBondContact O-N 3.21Å; L690-I693 PolarHBondContact O-N 3.31Å; E691-I693 PolarHBondContact O-N 2.99Å; I693-L696 PolarHBondContact O-N 3.29Å; I693-G697 PolarHBondContact O-N 2.83Å; I693-G697 VanDerWaalsContact O-N 3.16Å; I693-L698 HydrophobicContact CG1-CD1 4.37Å; I693-L698 HydrophobicContact CG2-CB 4.28Å; I693-L698 PolarHBondContact O-N 3.45Å
694	K	95.4	Very high	93.7	Very high	178 Å²	178	75.6 Å²	75.6	77%	0.774	40%	0.396	S	S	*	.	H	α-helix	trans	-63.3	-46.1	175.7	-174.2	-177.1	179.1	-174.6	0	111.8	L690 E691 R692 L696 G697	L690-K694 PolarHBondContact O-N 2.91Å; E691-K694 WeakPolarHBondContact O-CB 3.3Å; E691-K694 PolarHBondContact O-N 2.84Å; R692-K694 VanDerWaalsContact C-N 3.34Å; R692-K694 PolarHBondContact O-N 2.87Å; K694-L696 VanDerWaalsContact C-N 3.32Å; K694-L696 PolarHBondContact O-N 2.87Å; K694-G697 PolarHBondContact O-N 2.63Å; K694-G697 VanDerWaalsContact O-N 3.15Å
695	K	96.1	Very high	92.5	Very high	182 Å²	182	77.6 Å²	77.6	79%	0.791	42%	0.417	S	S	*	.	H	α-helix	trans	-64.3	-32.8	179.5	-174.7	173.1	-177.8	172.5	0	113.2	E691 R692	E691-K695 WeakPolarHBondContact O-CB 3.49Å; E691-K695 PolarHBondContact O-N 3.22Å; R692-K695 PolarHBondContact O-N 2.68Å
696	L	94.8	Very high	91.7	Very high	85 Å²	85	77 Å²	77	45%	0.445	42%	0.415	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.8	-0.1	176	-67.4	176	0	0	0	113.6	P520 R692 I693 K694 L698	P520-L696 HydrophobicContact CB-CD1 4.15Å; P520-L696 HydrophobicContact CG-CD1 4.21Å; R692-L696 HydrophobicContact CG-CD1 3.87Å; R692-L696 HydrophobicContact CG-CG 4.37Å; R692-L696 WeakPolarHBondContact O-CB 3.42Å; R692-L696 WeakPolarHBondContact O-CG 3.46Å; R692-L696 PolarHBondContact O-N 2.59Å; I693-L696 PolarHBondContact O-N 3.29Å; K694-L696 VanDerWaalsContact C-N 3.32Å; K694-L696 PolarHBondContact O-N 2.87Å; L696-L698 HydrophobicContact CB-CD1 4.12Å; L696-L698 HydrophobicContact CB-CD2 4.22Å; L696-L698 HydrophobicContact CB-CG 3.74Å; L696-L698 HydrophobicContact CD1-CD1 4.19Å; L696-L698 PolarHBondContact O-N 2.73Å
697	G	95	Very high	90.9	Very high	58 Å²	58	80.3 Å²	80.3	60%	0.598	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.4	22.4	179.9	0	0	0	0	0	114.7	I693 K694 S699	I693-G697 PolarHBondContact O-N 2.83Å; I693-G697 VanDerWaalsContact O-N 3.16Å; K694-G697 PolarHBondContact O-N 2.63Å; K694-G697 VanDerWaalsContact O-N 3.15Å; G697-S699 PolarHBondContact O-N 3.04Å
698	L	95	Very high	89.9	Confident	47 Å²	47	78.4 Å²	78.4	25%	0.246	42%	0.424	C	S	.	.			trans	-71.7	124.4	-172	-58.1	177.8	0	0	0	110.9	P520 I693 L696	P520-L698 HydrophobicContact CG-CD1 3.97Å; P520-L698 HydrophobicContact CG-CD2 4.18Å; I693-L698 HydrophobicContact CG1-CD1 4.37Å; I693-L698 HydrophobicContact CG2-CB 4.28Å; I693-L698 PolarHBondContact O-N 3.45Å; L696-L698 HydrophobicContact CB-CD1 4.12Å; L696-L698 HydrophobicContact CB-CD2 4.22Å; L696-L698 HydrophobicContact CB-CG 3.74Å; L696-L698 HydrophobicContact CD1-CD1 4.19Å; L696-L698 PolarHBondContact O-N 2.73Å
699	S	92.7	Very high	88.8	Confident	75 Å²	75	75 Å²	75	52%	0.524	41%	0.413	S	S	.	.			trans	-133.5	164.3	-178.4	51.9	0	0	0	0	111.2	G697 Q701	G697-S699 PolarHBondContact O-N 3.04Å; S699-Q701 PolarHBondContact O-N 3.09Å; S699-Q701 VanDerWaalsContact O-N 3.16Å
700	V	94.6	Very high	87.7	Confident	41 Å²	41	78.3 Å²	78.3	25%	0.248	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	115.1	-178.5	-178	0	0	0	0	110.1	T524 K526 E646 Y702	T524-V700 HydrophobicContact CG2-CG1 4.41Å; T524-V700 HydrophobicContact CG2-CG2 4Å; K526-V700 HydrophobicContact CB-CG1 4.33Å; E646-V700 HydrophobicContact CG-CG1 4.3Å; V700-Y702 HydrophobicContact CB-CE2 3.98Å; V700-Y702 HydrophobicContact CG1-CD2 4.43Å; V700-Y702 HydrophobicContact CG1-CE1 4.41Å; V700-Y702 HydrophobicContact CG1-CE2 3.92Å; V700-Y702 WeakPolarHBondContact O-CD2 3.34Å; V700-Y702 VanDerWaalsContact O-CE2 3.29Å; V700-Y702 WeakPolarHBondContact O-CE2 3.45Å
701	Q	92.4	Very high	86.8	Confident	93 Å²	93	75.8 Å²	75.8	44%	0.435	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	125.2	179.7	-63.3	-61.5	-30	0	0	110.9	T524 W525 K526 Q530 S699	T524-Q701 WeakPolarHBondContact O-CB 3.3Å; T524-Q701 PolarHBondContact O-N 3.38Å; W525-Q701 HydrophobicContact CG-CB 4.31Å; K526-Q701 PolarHBondContact N-O 2.91Å; Q530-Q701 PolarHBondContact NE2-O 3.48Å; Q530-Q701 PolarHBondContact OE1-O 3.42Å; S699-Q701 PolarHBondContact O-N 3.09Å; S699-Q701 VanDerWaalsContact O-N 3.16Å
702	Y	88.8	Confident	85.6	Confident	69 Å²	69	74.2 Å²	74.2	27%	0.271	42%	0.419	S	S	.	.			trans	-110.6	153.5	179.4	-67.4	-87.2	0	0	0	111.7	K526 Q530 E646 V700 Y706 L707	K526-Y702 HydrophobicContact CB-CD1 3.73Å; K526-Y702 HydrophobicContact CB-CE1 4.03Å; K526-Y702 HydrophobicContact CB-CG 4.44Å; K526-Y702 HydrophobicContact CD-CD1 4.23Å; K526-Y702 HydrophobicContact CD-CE1 3.75Å; K526-Y702 HydrophobicContact CG-CD1 3.76Å; K526-Y702 HydrophobicContact CG-CE1 3.83Å; Q530-Y702 VanDerWaalsContact NE2-C 3.32Å; E646-Y702 VanDerWaalsContact CD-OH 3.31Å; E646-Y702 PolarHBondContact OE1-OH 3.04Å; E646-Y702 PolarHBondContact OE2-OH 3.17Å; V700-Y702 HydrophobicContact CB-CE2 3.98Å; V700-Y702 HydrophobicContact CG1-CD2 4.43Å; V700-Y702 HydrophobicContact CG1-CE1 4.41Å; V700-Y702 HydrophobicContact CG1-CE2 3.92Å; V700-Y702 WeakPolarHBondContact O-CD2 3.34Å; V700-Y702 VanDerWaalsContact O-CE2 3.29Å; V700-Y702 WeakPolarHBondContact O-CE2 3.45Å; Y702-Y706 AromaticContact CD1-CD1 3.4Å; Y702-Y706 HydrophobicContact CD1-CD1 3.4Å; Y702-Y706 AromaticContact CD1-CE1 3.55Å; Y702-Y706 HydrophobicContact CD1-CE1 3.55Å; Y702-Y706 HydrophobicContact CD1-CG 4.46Å; Y702-Y706 HydrophobicContact CE1-CD1 4.1Å; Y702-Y706 AromaticContact CE1-CE1 3.81Å; Y702-Y706 HydrophobicContact CE1-CE1 3.81Å; Y702-Y706 HydrophobicContact CG-CD1 4.15Å; Y702-L707 HydrophobicContact CD1-CD2 3.97Å; Y702-L707 HydrophobicContact CD1-CG 4.49Å; Y702-L707 HydrophobicContact CD2-CD1 3.97Å; Y702-L707 HydrophobicContact CD2-CD2 4Å; Y702-L707 HydrophobicContact CD2-CG 4.16Å; Y702-L707 HydrophobicContact CE1-CD2 3.97Å; Y702-L707 HydrophobicContact CE2-CD1 4.4Å; Y702-L707 HydrophobicContact CE2-CD2 4.01Å; Y702-L707 HydrophobicContact CG-CD1 4.35Å; Y702-L707 HydrophobicContact CG-CD2 3.96Å; Y702-L707 HydrophobicContact CG-CG 4.08Å
703	P	81.9	Confident	84.4	Confident	14 Å²	14	75.5 Å²	75.5	9%	0.091	43%	0.426	C	S	.	.			trans	-61.6	146.1	172.1	-21.5	32.9	0	0	0	111.9	M496 F527 G705 Y706	M496-P703 HydrophobicContact CE-CG 4.2Å; F527-P703 HydrophobicContact CD2-CG 3.58Å; F527-P703 HydrophobicContact CE2-CG 3.85Å; P703-G705 PolarHBondContact O-N 2.97Å; P703-Y706 WeakPolarHBondContact O-CB 3.43Å; P703-Y706 PolarHBondContact O-N 3.21Å
704	P	75.5	Confident	83.3	Confident	109 Å²	109	77.8 Å²	77.8	71%	0.708	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.6	128.6	177.8	-28.4	36	0	0	0	112.8	W492 Y706	W492-P704 PolarHBondContact NE1-O 3.2Å; P704-Y706 VanDerWaalsContact C-N 3.26Å; P704-Y706 PolarHBondContact O-N 3.01Å
705	G	73.2	Confident	82	Confident	46 Å²	46	76.3 Å²	76.3	47%	0.474	44%	0.435	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.7	-9.7	-177.8	0	0	0	0	0	115.9	P703 L707 A708 A709	P703-G705 PolarHBondContact O-N 2.97Å; G705-L707 PolarHBondContact O-N 3.22Å; G705-A708 PolarHBondContact O-N 3.4Å; G705-A709 WeakPolarHBondContact O-CB 3.14Å; G705-A709 PolarHBondContact O-N 3.44Å
706	Y	79.3	Confident	80.1	Confident	46 Å²	46	75.6 Å²	75.6	18%	0.18	43%	0.432	C	S	.	.	H	α-helix	trans	-57.1	-47.2	-177.1	175.3	-95.4	0	0	0	113.1	F527 Y702 P703 P704 A708 A709 M710	F527-Y706 AromaticContact CE2-CD2 3.96Å; F527-Y706 HydrophobicContact CE2-CD2 3.96Å; F527-Y706 AromaticContact CE2-CE2 3.73Å; F527-Y706 HydrophobicContact CE2-CE2 3.73Å; F527-Y706 HydrophobicContact CE2-CG 4.5Å; F527-Y706 HydrophobicContact CZ-CD2 4.27Å; F527-Y706 AromaticContact CZ-CE2 3.6Å; F527-Y706 HydrophobicContact CZ-CE2 3.6Å; F527-Y706 AromaticContact CZ-CZ 3.86Å; Y702-Y706 AromaticContact CD1-CD1 3.4Å; Y702-Y706 HydrophobicContact CD1-CD1 3.4Å; Y702-Y706 AromaticContact CD1-CE1 3.55Å; Y702-Y706 HydrophobicContact CD1-CE1 3.55Å; Y702-Y706 HydrophobicContact CD1-CG 4.46Å; Y702-Y706 HydrophobicContact CE1-CD1 4.1Å; Y702-Y706 AromaticContact CE1-CE1 3.81Å; Y702-Y706 HydrophobicContact CE1-CE1 3.81Å; Y702-Y706 HydrophobicContact CG-CD1 4.15Å; P703-Y706 WeakPolarHBondContact O-CB 3.43Å; P703-Y706 PolarHBondContact O-N 3.21Å; P704-Y706 VanDerWaalsContact C-N 3.26Å; P704-Y706 PolarHBondContact O-N 3.01Å; Y706-A708 VanDerWaalsContact C-N 3.35Å; Y706-A708 PolarHBondContact O-N 3.15Å; Y706-A709 PolarHBondContact O-N 3.42Å; Y706-M710 HydrophobicContact CD1-CG 4.23Å; Y706-M710 HydrophobicContact CD2-CG 4.37Å; Y706-M710 HydrophobicContact CE1-CG 3.8Å; Y706-M710 HydrophobicContact CE2-CG 3.94Å; Y706-M710 HydrophobicContact CE2-SD 4.34Å; Y706-M710 WeakPolarHBondContact O-CB 3.45Å; Y706-M710 WeakPolarHBondContact O-CG 3.46Å; Y706-M710 PolarHBondContact O-N 2.9Å
707	L	80.3	Confident	78.5	Confident	100 Å²	100	76.2 Å²	76.2	52%	0.524	43%	0.433	S	S	.	.	H	α-helix	trans	-64.1	-39.1	-179.9	-65.3	176	0	0	0	112	Y702 G705 M710 A711	Y702-L707 HydrophobicContact CD1-CD2 3.97Å; Y702-L707 HydrophobicContact CD1-CG 4.49Å; Y702-L707 HydrophobicContact CD2-CD1 3.97Å; Y702-L707 HydrophobicContact CD2-CD2 4Å; Y702-L707 HydrophobicContact CD2-CG 4.16Å; Y702-L707 HydrophobicContact CE1-CD2 3.97Å; Y702-L707 HydrophobicContact CE2-CD1 4.4Å; Y702-L707 HydrophobicContact CE2-CD2 4.01Å; Y702-L707 HydrophobicContact CG-CD1 4.35Å; Y702-L707 HydrophobicContact CG-CD2 3.96Å; Y702-L707 HydrophobicContact CG-CG 4.08Å; G705-L707 PolarHBondContact O-N 3.22Å; L707-M710 PolarHBondContact O-N 3.32Å; L707-A711 WeakPolarHBondContact O-CB 3.45Å; L707-A711 PolarHBondContact O-N 3.43Å
708	A	75.8	Confident	76.9	Confident	56 Å²	56	76.8 Å²	76.8	46%	0.463	43%	0.432	S	S	.	.	H	α-helix	trans	-68.2	-41.3	175.5	0	0	0	0	0	111.9	G705 Y706 A711 N712	G705-A708 PolarHBondContact O-N 3.4Å; Y706-A708 VanDerWaalsContact C-N 3.35Å; Y706-A708 PolarHBondContact O-N 3.15Å; A708-A711 PolarHBondContact O-N 3.36Å; A708-N712 VanDerWaalsContact O-CB 3.28Å; A708-N712 WeakPolarHBondContact O-CB 3.46Å; A708-N712 PolarHBondContact O-N 3.01Å; A708-N712 PolarHBondContact O-ND2 3.49Å
709	A	73.2	Confident	74.8	Confident	35 Å²	35	80 Å²	80	29%	0.289	46%	0.457	S	S	.	.	H	α-helix	trans	-62.7	-42.8	174.8	0	0	0	0	0	111.7	W492 G705 Y706 N712 K713	W492-A709 HydrophobicContact CB-CB 4.2Å; G705-A709 WeakPolarHBondContact O-CB 3.14Å; G705-A709 PolarHBondContact O-N 3.44Å; Y706-A709 PolarHBondContact O-N 3.42Å; A709-N712 PolarHBondContact O-N 3Å; A709-K713 WeakPolarHBondContact O-CB 3.48Å; A709-K713 PolarHBondContact O-N 3.16Å
710	M	74.3	Confident	72.6	Confident	74 Å²	74	80 Å²	80	37%	0.365	46%	0.461	S	S	.	.	H	α-helix	trans	-65.2	-46.4	174.5	-73.7	-63.9	-66.5	0	0	112.1	Y706 L707 N712 K713 T714	Y706-M710 HydrophobicContact CD1-CG 4.23Å; Y706-M710 HydrophobicContact CD2-CG 4.37Å; Y706-M710 HydrophobicContact CE1-CG 3.8Å; Y706-M710 HydrophobicContact CE2-CG 3.94Å; Y706-M710 HydrophobicContact CE2-SD 4.34Å; Y706-M710 WeakPolarHBondContact O-CB 3.45Å; Y706-M710 WeakPolarHBondContact O-CG 3.46Å; Y706-M710 PolarHBondContact O-N 2.9Å; L707-M710 PolarHBondContact O-N 3.32Å; M710-N712 VanDerWaalsContact C-N 3.33Å; M710-N712 PolarHBondContact O-N 3.26Å; M710-K713 WeakPolarHBondContact O-CB 3.33Å; M710-K713 PolarHBondContact O-N 3.41Å; M710-K713 VanDerWaalsContact O-N 3.17Å; M710-K713 HydrophobicContact SD-CD 4.44Å; M710-T714 PolarHBondContact O-N 2.93Å; M710-T714 PolarHBondContact O-OG1 3.2Å; M710-T714 VanDerWaalsContact O-OG1 3.09Å
711	A	75.3	Confident	70	Confident	47 Å²	47	87 Å²	87	39%	0.388	48%	0.483	S	S	.	.	H	α-helix	trans	-60.9	-40.8	176.3	0	0	0	0	0	112.2	L707 A708 T714 K715	L707-A711 WeakPolarHBondContact O-CB 3.45Å; L707-A711 PolarHBondContact O-N 3.43Å; A708-A711 PolarHBondContact O-N 3.36Å; A711-T714 PolarHBondContact O-N 2.63Å; A711-K715 WeakPolarHBondContact O-CB 3.3Å; A711-K715 VanDerWaalsContact O-CG 3.31Å; A711-K715 WeakPolarHBondContact O-CG 3.3Å; A711-K715 PolarHBondContact O-N 3.37Å
712	N	71.9	Confident	67.8	Low	102 Å²	102	88.2 Å²	88.2	55%	0.545	50%	0.5	S	S	.	.	H	α-helix	trans	-68	-36.4	175.1	-73.2	-19.8	0	0	0	112.2	A708 A709 M710 K716	A708-N712 VanDerWaalsContact O-CB 3.28Å; A708-N712 WeakPolarHBondContact O-CB 3.46Å; A708-N712 PolarHBondContact O-N 3.01Å; A708-N712 PolarHBondContact O-ND2 3.49Å; A709-N712 PolarHBondContact O-N 3Å; M710-N712 VanDerWaalsContact C-N 3.33Å; M710-N712 PolarHBondContact O-N 3.26Å; N712-K716 WeakPolarHBondContact O-CB 3.42Å; N712-K716 PolarHBondContact O-N 3.17Å
713	K	71.1	Confident	65.3	Low	94 Å²	94	88.6 Å²	88.6	41%	0.409	52%	0.524	S	S	.	.	H	α-helix	trans	-60.8	-52.2	171.3	-174.7	-167.8	174.2	-90.6	0	110.7	A709 M710 K715 K716 E717	A709-K713 WeakPolarHBondContact O-CB 3.48Å; A709-K713 PolarHBondContact O-N 3.16Å; M710-K713 WeakPolarHBondContact O-CB 3.33Å; M710-K713 PolarHBondContact O-N 3.41Å; M710-K713 VanDerWaalsContact O-N 3.17Å; M710-K713 HydrophobicContact SD-CD 4.44Å; K713-K715 PolarHBondContact O-N 3.15Å; K713-K716 CarbonylContact O-C 3.54Å; K713-K716 PolarHBondContact O-N 2.85Å; K713-K716 VanDerWaalsContact O-N 3.12Å; K713-E717 WeakPolarHBondContact CE-OE1 3.29Å; K713-E717 HydrophobicContact CG-CG 4.47Å; K713-E717 IonicContact NZ-OE1 2.64Å; K713-E717 PolarHBondContact NZ-OE1 2.89Å; K713-E717 IonicContact NZ-OE2 2.71Å; K713-E717 PolarHBondContact NZ-OE2 3.23Å; K713-E717 WeakPolarHBondContact O-CB 3.29Å; K713-E717 WeakPolarHBondContact O-CG 3.28Å; K713-E717 PolarHBondContact O-N 3.26Å
714	T	72	Confident	63.4	Low	83 Å²	83	100.2 Å²	100.2	51%	0.509	57%	0.566	S	S	.	*	H	α-helix	trans	-61.1	-43	179.2	-52.9	0	0	0	0	111.8	M710 A711 K716 E717 A718	M710-T714 PolarHBondContact O-N 2.93Å; M710-T714 PolarHBondContact O-OG1 3.2Å; M710-T714 VanDerWaalsContact O-OG1 3.09Å; A711-T714 PolarHBondContact O-N 2.63Å; T714-K716 VanDerWaalsContact C-N 3.34Å; T714-K716 PolarHBondContact O-N 2.87Å; T714-E717 PolarHBondContact O-N 3.45Å; T714-A718 WeakPolarHBondContact O-CB 3.09Å; T714-A718 PolarHBondContact O-N 3.4Å
715	K	68.1	Low	61.4	Low	146 Å²	146	99 Å²	99	64%	0.635	57%	0.573	S	S	*	*	H	α-helix	trans	-60.4	-41.2	173.5	-75.5	175.5	178.9	-178.9	0	112.2	A711 K713 C719	A711-K715 WeakPolarHBondContact O-CB 3.3Å; A711-K715 VanDerWaalsContact O-CG 3.31Å; A711-K715 WeakPolarHBondContact O-CG 3.3Å; A711-K715 PolarHBondContact O-N 3.37Å; K713-K715 PolarHBondContact O-N 3.15Å; K715-C719 VanDerWaalsContact O-CB 3.22Å; K715-C719 WeakPolarHBondContact O-CB 3.34Å; K715-C719 PolarHBondContact O-N 3.22Å
716	K	57.9	Low	59.5	Low	168 Å²	168	100.6 Å²	100.6	73%	0.73	59%	0.59	S	S	*	*	H	α-helix	trans	-70.9	-32.7	178.2	-169.9	171.6	-174.3	171.6	0	112.8	N712 K713 T714 A720	N712-K716 WeakPolarHBondContact O-CB 3.42Å; N712-K716 PolarHBondContact O-N 3.17Å; K713-K716 CarbonylContact O-C 3.54Å; K713-K716 PolarHBondContact O-N 2.85Å; K713-K716 VanDerWaalsContact O-N 3.12Å; T714-K716 VanDerWaalsContact C-N 3.34Å; T714-K716 PolarHBondContact O-N 2.87Å; K716-A720 WeakPolarHBondContact O-CB 3.41Å; K716-A720 PolarHBondContact O-N 3.29Å
717	E	60.8	Low	57.5	Low	97 Å²	97	111 Å²	111	45%	0.453	63%	0.629	S	S	.	*	H	α-helix	trans	-75.3	-39.2	174.8	-71.5	172.8	160.1	0	0	111.1	K713 T714 A720	K713-E717 WeakPolarHBondContact CE-OE1 3.29Å; K713-E717 HydrophobicContact CG-CG 4.47Å; K713-E717 IonicContact NZ-OE1 2.64Å; K713-E717 PolarHBondContact NZ-OE1 2.89Å; K713-E717 IonicContact NZ-OE2 2.71Å; K713-E717 PolarHBondContact NZ-OE2 3.23Å; K713-E717 WeakPolarHBondContact O-CB 3.29Å; K713-E717 WeakPolarHBondContact O-CG 3.28Å; K713-E717 PolarHBondContact O-N 3.26Å; T714-E717 PolarHBondContact O-N 3.45Å; E717-A720 PolarHBondContact O-N 3.32Å
718	A	60.6	Low	55.2	Low	70 Å²	70	109.9 Å²	109.9	58%	0.579	64%	0.642	S	S	*	*	H	α-helix	trans	-65.4	-42.4	173.4	0	0	0	0	0	113.2	T714 A720	T714-A718 WeakPolarHBondContact O-CB 3.09Å; T714-A718 PolarHBondContact O-N 3.4Å; A718-A720 PolarHBondContact O-N 2.83Å
719	C	51.4	Low	53.5	Low	116 Å²	116	116.8 Å²	116.8	78%	0.784	66%	0.661	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.5	-8.2	178.5	-164.7	0	0	0	0	113.4	K715	K715-C719 VanDerWaalsContact O-CB 3.22Å; K715-C719 WeakPolarHBondContact O-CB 3.34Å; K715-C719 PolarHBondContact O-N 3.22Å
720	A	47.1	Very low	51.4	Low	74 Å²	74	123.7 Å²	123.7	61%	0.612	69%	0.688	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.2	10.6	-176.3	0	0	0	0	0	115.2	K716 E717 A718 P722	K716-A720 WeakPolarHBondContact O-CB 3.41Å; K716-A720 PolarHBondContact O-N 3.29Å; E717-A720 PolarHBondContact O-N 3.32Å; A718-A720 PolarHBondContact O-N 2.83Å; A720-P722 VanDerWaalsContact O-CD 3.31Å; A720-P722 WeakPolarHBondContact O-CD 3.46Å
721	R	38.9	Very low	49.3	Very low	187 Å²	187	130.4 Å²	130.4	71%	0.706	71%	0.71	S	S	*	*			trans	-87.7	111.4	174.9	-75.6	-175.3	167	-172.3	-4.3	111.3	R922	R721-R922 PolarHBondContact NH2-O 3.49Å
722	P	47.5	Very low	48	Very low	120 Å²	120	134.1 Å²	134.1	78%	0.779	73%	0.73	S	S	*	*	P	Polyproline II helix	trans	-86.7	132.5	179.3	33.6	-33.2	0	0	0	112.5	A720	A720-P722 VanDerWaalsContact O-CD 3.31Å; A720-P722 WeakPolarHBondContact O-CD 3.46Å
723	G	36.4	Very low	45.8	Very low	76 Å²	76	133 Å²	133	78%	0.784	74%	0.743	S	S	*	*	P	Polyproline II helix	trans	-64.9	156.3	160.1	0	0	0	0	0	111.7
724	R	40.9	Very low	43.9	Very low	258 Å²	258	141.2 Å²	141.2	97%	0.974	77%	0.771	S	S	*	*	P	Polyproline II helix	trans	-91.9	141.4	-179.2	-76.3	-176	169	-160.5	0.1	112.5
725	G	34.5	Very low	41.7	Very low	83 Å²	83	141.1 Å²	141.1	86%	0.856	79%	0.787	S	S	*	*			trans	98.8	140.6	170.4	0	0	0	0	0	113.1
726	G	32.5	Very low	39.7	Very low	81 Å²	81	145.8 Å²	145.8	84%	0.835	80%	0.8	S	S	*	*			cis	-145.9	-174.5	0.5	0	0	0	0	0	112.5
727	R	38	Very low	39.6	Very low	264 Å²	264	142.7 Å²	142.7	100%	0.996	80%	0.797	S	S	*	*			trans	-81.8	145.3	-172.7	-66	173.5	174	165.4	-3.8	113.2
728	G	31.4	Very low	37.9	Very low	77 Å²	77	150.1 Å²	150.1	79%	0.794	82%	0.821	S	S	*	*			trans	-175.7	123.2	160.8	0	0	0	0	0	112.8
729	K	39.6	Very low	36.5	Very low	200 Å²	200	158.2 Å²	158.2	87%	0.87	84%	0.837	S	S	*	*			trans	-100.3	131.6	167.9	-75.5	-178.1	176.4	-179.8	0	108.7
730	H	28.8	Very low	35.3	Very low	181 Å²	181	164.5 Å²	164.5	84%	0.838	84%	0.844	S	S	*	*				-179.3	151.2	125.4	-107.2	-78.4	0	0	0	112.9
731	Y	30	Very low	34.3	Very low	214 Å²	214	170 Å²	170	84%	0.839	85%	0.854	S	S	*	*			trans	-124.1	167.5	153.6	-101.7	-101.2	0	0	0	106.2
732	P	47.9	Very low	33.7	Very low	125 Å²	125	168.4 Å²	168.4	81%	0.812	86%	0.858	S	S	*	*			cis	-125.9	178.4	1.9	41.1	-26.9	0	0	0	114.4
733	G	26.1	Very low	32.7	Very low	78 Å²	78	170.7 Å²	170.7	80%	0.804	86%	0.856	S	S	*	*			trans	-171	141.4	168.2	0	0	0	0	0	114
734	R	32.3	Very low	32.2	Very low	267 Å²	267	170.9 Å²	170.9	100%	1.008	84%	0.842	S	S	*	*			trans	-95.8	143	172.3	-71.9	178.5	171.2	-176.5	-2.7	110.2
735	G	25.1	Very low	31.4	Very low	81 Å²	81	166.2 Å²	166.2	84%	0.835	83%	0.828	S	S	*	*			trans	-180	128.9	167.6	0	0	0	0	0	114.5
736	R	27.1	Very low	31	Very low	245 Å²	245	168.5 Å²	168.5	93%	0.925	82%	0.817	S	S	*	*			trans	-121.1	174.5	165.8	-135.8	-155.2	162.1	-172.6	-1.8	107.8
737	P	54.6	Low	30.7	Very low	102 Å²	102	172.2 Å²	172.2	66%	0.662	81%	0.813	S	S	*	*				-117.2	170.6	-114.8	38.4	-23	0	0	0	113.7
738	R	25.4	Very low	30.2	Very low	254 Å²	254	168.6 Å²	168.6	96%	0.958	81%	0.807	S	S	*	*			trans	-160.1	150.9	147.2	-118.6	162.1	-175.5	177.7	0.4	115.6
739	R	30.9	Very low	30	Very low	239 Å²	239	174.6 Å²	174.6	90%	0.902	81%	0.814	S	S	*	*			trans	-75.4	148.6	170.8	-70.9	166.4	152.2	177.8	-8.8	111.6
740	R	26.6	Very low	29.4	Very low	249 Å²	249	173.7 Å²	173.7	94%	0.94	81%	0.813	S	S	*	*				-169.6	155.8	128.2	-99.3	166.7	-178.9	-167	-1.3	107.3
741	K	25.2	Very low	29.4	Very low	188 Å²	188	174.2 Å²	174.2	82%	0.817	82%	0.816	S	S	*	*			cis	157.9	161.8	-26	-142.4	-171.2	-179.2	-165.3	0	104.4
742	I	27.6	Very low	29.2	Very low	154 Å²	154	166.9 Å²	166.9	79%	0.79	81%	0.806	S	S	*	*			trans	80.5	132.5	167.8	-59.7	161.5	0	0	0	114.4
743	K	26	Very low	28.2	Very low	169 Å²	169	168.6 Å²	168.6	74%	0.735	81%	0.807	S	S	*	*			cis	-161.4	154.9	-16.2	-126.9	-169.6	155.8	-114.5	0	113.9
744	T	26	Very low	28.2	Very low	80 Å²	80	172.2 Å²	172.2	49%	0.491	80%	0.803	S	S	.	*			trans	3.3	133.8	146.8	55.7	0	0	0	0	122.3
745	K	23.6	Very low	28	Very low	159 Å²	159	167.7 Å²	167.7	69%	0.691	79%	0.793	S	S	*	*				-134.4	148.7	95.3	-87	-170.3	131.3	-124.6	0	107.1	E747	K745-E747 IonicContact NZ-OE1 2.79Å; K745-E747 PolarHBondContact NZ-OE1 3.34Å
746	E	26.8	Very low	28	Very low	132 Å²	132	173.1 Å²	173.1	62%	0.617	80%	0.797	S	S	*	*			cis	65.4	135.4	48	-64.1	149.5	-144.4	0	0	110.4
747	E	25.5	Very low	27.9	Very low	159 Å²	159	168.7 Å²	168.7	74%	0.743	79%	0.792	S	S	*	*			cis	-106.9	-168.6	18.5	-71.5	96.8	-145.9	0	0	115.8	K745	K745-E747 IonicContact NZ-OE1 2.79Å; K745-E747 PolarHBondContact NZ-OE1 3.34Å
748	E	28	Very low	26.7	Very low	187 Å²	187	172.3 Å²	172.3	87%	0.874	80%	0.8	S	S	*	*			trans	-117.2	159.4	-173	-59.9	164.8	138.6	0	0	110.9
749	E	26.8	Very low	26.7	Very low	204 Å²	204	168 Å²	168	95%	0.953	79%	0.791	S	S	*	*			trans	-167	160	145	-112.4	163.2	-158.7	0	0	110.7
750	E	27.5	Very low	26.5	Very low	181 Å²	181	165.2 Å²	165.2	85%	0.846	79%	0.788	S	S	*	*			trans	-142	179.2	-161.6	-166.8	165.3	-154.3	0	0	112.1
751	E	28.9	Very low	26.5	Very low	191 Å²	191	157 Å²	157	89%	0.893	78%	0.78	S	S	*	*			trans	75.3	178	171.4	-51.6	-163.1	158.1	0	0	117.3
752	G	25.6	Very low	26.7	Very low	61 Å²	61	156.4 Å²	156.4	63%	0.629	78%	0.781	S	S	*	*			trans	-176.5	-161.3	-168	0	0	0	0	0	112.8
753	L	26.6	Very low	26.8	Very low	160 Å²	160	156.2 Å²	156.2	84%	0.838	78%	0.777	S	S	*	*			trans	73	157.1	-160.6	-52.3	163.4	0	0	0	111.1
754	E	26.9	Very low	27	Very low	155 Å²	155	156.1 Å²	156.1	72%	0.724	78%	0.779	S	S	*	*			cis	-145.5	-147.6	6.7	-142.8	139.9	-125.4	0	0	111.6
755	E	27.2	Very low	27.1	Very low	171 Å²	171	155.4 Å²	155.4	80%	0.799	79%	0.787	S	S	*	*			trans	-77.8	-176.8	-163.7	-65.8	154.2	171.6	0	0	115
756	E	24.7	Very low	27.1	Very low	196 Å²	196	156.5 Å²	156.5	92%	0.916	80%	0.8	S	S	*	*				-161	173.1	75.2	-77.2	174.4	163.2	0	0	113.1
757	D	25	Very low	26.9	Very low	152 Å²	152	159 Å²	159	81%	0.813	81%	0.812	S	S	*	*			trans	-108.8	-167.2	-169.6	-86.6	-61.3	0	0	0	115.2
758	E	29.1	Very low	27.6	Very low	178 Å²	178	156.2 Å²	156.2	83%	0.832	81%	0.808	S	S	*	*			trans	73.9	151.8	158.8	-72.1	172	-162.8	0	0	119.6
759	E	27	Very low	28.1	Very low	163 Å²	163	152.8 Å²	152.8	76%	0.762	80%	0.802	S	S	*	*			cis	-163.7	177.4	-30.1	-149	175.7	-160	0	0	111.2
760	E	26.7	Very low	28.2	Very low	180 Å²	180	152.3 Å²	152.3	84%	0.841	80%	0.8	S	S	*	*			trans	66.1	138.3	157.6	-61.1	-157.6	133.9	0	0	125.7
761	G	26.5	Very low	28.1	Very low	76 Å²	76	148.3 Å²	148.3	78%	0.784	80%	0.798	S	S	*	*			trans	84.6	146.3	145	0	0	0	0	0	120.9
762	E	28.3	Very low	27.9	Very low	177 Å²	177	147.8 Å²	147.8	83%	0.827	80%	0.795	S	S	*	*			cis	-168.2	150.8	-15.8	-129	-175.7	-176.9	0	0	110.5
763	E	30.4	Very low	27.9	Very low	150 Å²	150	152.7 Å²	152.7	70%	0.701	80%	0.804	S	S	*	*			trans	49.6	160.2	154.8	-56.9	-140.3	112.4	0	0	121.8
764	Q	29.6	Very low	27.8	Very low	167 Å²	167	154.3 Å²	154.3	78%	0.78	81%	0.807	S	S	*	*			cis	-157.1	165.5	-12.2	-114.4	175.3	32.7	0	0	105.7
765	G	27.7	Very low	27.7	Very low	65 Å²	65	155 Å²	155	67%	0.67	81%	0.811	S	S	*	*			cis	177.4	-152.7	4.9	0	0	0	0	0	111.3
766	D	24.8	Very low	27.6	Very low	181 Å²	181	154.8 Å²	154.8	97%	0.968	82%	0.815	S	S	*	*			trans	79.6	135.1	177	-70.4	-16.9	0	0	0	120.7
767	E	22.8	Very low	27.5	Very low	184 Å²	184	149.6 Å²	149.6	86%	0.86	81%	0.806	S	S	*	*			trans	-129.5	-163.7	-161.7	-128.3	-165.3	169.6	0	0	108.9
768	P	39	Very low	28.5	Very low	101 Å²	101	147.4 Å²	147.4	66%	0.656	80%	0.799	S	S	*	*			cis	-128.8	-140.7	-35.6	41.6	-23.2	0	0	0	108.4
769	P	39.5	Very low	28.3	Very low	116 Å²	116	147.4 Å²	147.4	75%	0.753	80%	0.799	S	S	*	*			cis	-129.3	168.6	-25.9	37.9	-21.5	0	0	0	115.9
770	E	28.1	Very low	28.2	Very low	193 Å²	193	145.3 Å²	145.3	90%	0.902	80%	0.803	S	S	*	*			trans	-93.9	168.8	158.6	-66	-168.5	128.6	0	0	112.6
771	A	25.3	Very low	28.1	Very low	98 Å²	98	145 Å²	145	81%	0.81	81%	0.807	S	S	*	*			trans	-151.8	81.5	165.6	0	0	0	0	0	114.7
772	Q	25.4	Very low	28	Very low	180 Å²	180	144.4 Å²	144.4	84%	0.841	80%	0.801	S	S	*	*			trans	36.6	118.1	141.7	-62.6	179.2	-8	0	0	122.9
773	M	25.7	Very low	28	Very low	164 Å²	164	144.1 Å²	144.1	81%	0.808	80%	0.8	S	S	*	*				33.7	134.6	123.9	-59.4	175.6	65.9	0	0	122.7
774	Q	23.5	Very low	27.8	Very low	194 Å²	194	143.3 Å²	143.3	91%	0.907	80%	0.796	S	S	*	*				-166.1	179	114.3	-108.3	174.8	10.7	0	0	113.2
775	E	25.6	Very low	27.6	Very low	170 Å²	170	142.9 Å²	142.9	79%	0.794	79%	0.791	S	S	*	*			trans	-112.7	-170	-157.5	-59.9	178.9	104.5	0	0	115.1
776	D	24.7	Very low	27.5	Very low	165 Å²	165	144.6 Å²	144.6	88%	0.882	79%	0.789	S	S	*	*			trans	82.5	158.7	160.1	-76.4	-30.9	0	0	0	122.9
777	A	23.6	Very low	27.5	Very low	88 Å²	88	142.2 Å²	142.2	73%	0.727	78%	0.781	S	S	*	*			trans	-152.5	-174.2	-179	0	0	0	0	0	108.1
778	P	45.6	Very low	27.7	Very low	105 Å²	105	137 Å²	137	68%	0.682	78%	0.777	S	S	*	*			cis	-133	-167.4	-10.2	42.8	-25.6	0	0	0	113.8
779	Q	25.5	Very low	27.2	Very low	178 Å²	178	140.8 Å²	140.8	83%	0.832	79%	0.786	S	S	*	*			trans	66.9	134.1	156.8	-66.9	179.2	3.6	0	0	121.7
780	S	24.3	Very low	26.6	Very low	119 Å²	119	141.1 Å²	141.1	83%	0.832	79%	0.786	S	S	*	*				154.7	179.4	113.7	61.9	0	0	0	0	114.2
781	N	24.5	Very low	26.7	Very low	173 Å²	173	140 Å²	140	93%	0.925	78%	0.781	S	S	*	*			trans	-111.5	160.6	-166.2	-69	-27.2	0	0	0	114.2
782	G	25	Very low	27.2	Very low	64 Å²	64	140 Å²	140	66%	0.66	77%	0.773	S	S	*	*			trans	145.9	126	164	0	0	0	0	0	111
783	E	26.5	Very low	27.4	Very low	172 Å²	172	136.9 Å²	136.9	80%	0.804	77%	0.771	S	S	*	*				57.5	124.8	60.8	-61.6	-155.2	94.7	0	0	112.4
784	Q	27.1	Very low	27.8	Very low	132 Å²	132	134.4 Å²	134.4	62%	0.617	77%	0.767	S	S	*	*			cis	-155.1	-171.2	10.6	-111.9	172.2	43.5	0	0	107.9
785	K	25.7	Very low	28	Very low	158 Å²	158	134.1 Å²	134.1	69%	0.687	77%	0.765	S	S	*	*			cis	-163.1	170.5	16.8	-139.9	-176	178.9	80.6	0	112.5
786	T	24.7	Very low	28.2	Very low	102 Å²	102	132.9 Å²	132.9	63%	0.626	77%	0.77	S	S	*	*			trans	-5.1	158.1	148	56.8	0	0	0	0	122.3
787	T	25.1	Very low	28.5	Very low	131 Å²	131	133.9 Å²	133.9	80%	0.804	77%	0.769	S	S	*	*			cis	-173.1	160	-9.8	27	0	0	0	0	109.5
788	G	27.1	Very low	29.1	Very low	75 Å²	75	135 Å²	135	77%	0.773	77%	0.769	S	S	*	*			trans	-172.6	114.9	163	0	0	0	0	0	112.6
789	E	27.9	Very low	28.7	Very low	180 Å²	180	135.6 Å²	135.6	84%	0.841	77%	0.773	S	S	*	*			trans	-91.3	165.1	-174	-62.9	162.9	142.9	0	0	110.8
790	T	27.7	Very low	29.2	Very low	123 Å²	123	132.8 Å²	132.8	76%	0.755	77%	0.77	S	S	*	*				179.4	121.2	83.9	-58.5	0	0	0	0	111.9
791	E	30.7	Very low	29.8	Very low	168 Å²	168	133.1 Å²	133.1	79%	0.785	77%	0.769	S	S	*	*			trans	65.1	169.4	150.3	-59.2	-71.6	94	0	0	119
792	P	35.8	Very low	30.7	Very low	99 Å²	99	134.4 Å²	134.4	64%	0.643	77%	0.767	S	S	*	*				-137.2	172.8	-100.8	31.4	-5.7	0	0	0	117.9
793	S	28.5	Very low	31.3	Very low	115 Å²	115	143.2 Å²	143.2	80%	0.804	78%	0.78	S	S	*	*			trans	24	148.2	148.5	-60.4	0	0	0	0	122.9
794	P	34	Very low	31.9	Very low	111 Å²	111	141.4 Å²	141.4	72%	0.721	78%	0.78	S	S	*	*			cis	-143.7	-169.5	33.1	44.4	-25.3	0	0	0	117.2
795	E	27.7	Very low	32.4	Very low	188 Å²	188	144.3 Å²	144.3	88%	0.879	79%	0.791	S	S	*	*			trans	72.3	137.9	166.4	-64.5	-177.1	-178.3	0	0	118.7
796	T	30.2	Very low	33.3	Very low	144 Å²	144	143.7 Å²	143.7	88%	0.883	79%	0.794	S	S	*	*			trans	-129.5	99.1	-169.4	-48.1	0	0	0	0	110.7
797	E	31.8	Very low	34.4	Very low	186 Å²	186	146.8 Å²	146.8	87%	0.869	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-89.7	160.3	168.5	-82.5	-137.3	141	0	0	112.1
798	P	36.8	Very low	36.1	Very low	111 Å²	111	148.6 Å²	148.6	72%	0.721	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-78.9	158.6	-160.7	29.8	-36.4	0	0	0	115.5
799	P	36.9	Very low	38.4	Very low	118 Å²	118	148.4 Å²	148.4	77%	0.766	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-67.6	154.8	-180	28	-35.9	0	0	0	113.7
800	P	35.8	Very low	41.2	Very low	119 Å²	119	142.1 Å²	142.1	77%	0.773	75%	0.754	S	S	*	*	P	Polyproline II helix	trans	-66.5	158.2	-170.8	25.9	-35.4	0	0	0	114.7
801	P	37.5	Very low	44	Very low	127 Å²	127	144.3 Å²	144.3	83%	0.825	76%	0.756	S	S	*	*	P	Polyproline II helix	trans	-69.6	147.3	-166.8	26.8	-35.5	0	0	0	114.5
802	K	42	Very low	46.8	Very low	199 Å²	199	137.2 Å²	137.2	87%	0.865	72%	0.723	S	S	*	*	P	Polyproline II helix	trans	-63	140.6	174	-64.1	173.4	-178.9	173.4	0	110.5	V804	K802-V804 PolarHBondContact O-N 2.93Å
803	R	38.5	Very low	49.5	Very low	250 Å²	250	136.1 Å²	136.1	94%	0.943	72%	0.715	S	S	*	*	P	Polyproline II helix	trans	-57.3	120.4	171.5	-71	-177.4	176.3	-179.9	-1.6	110
804	V	39.5	Very low	52.5	Low	133 Å²	133	138.7 Å²	138.7	81%	0.806	71%	0.714	S	S	*	*	P	Polyproline II helix	trans	-68.3	132.2	172.2	179	0	0	0	0	108.6	K802	K802-V804 PolarHBondContact O-N 2.93Å
805	K	37.3	Very low	55.2	Low	193 Å²	193	139.1 Å²	139.1	84%	0.839	71%	0.707	S	S	*	*			trans	-85.7	111.3	174.7	-166.6	-179.4	-176.6	-172.5	0	107.9
806	I	43.4	Very low	58.3	Low	146 Å²	146	131.1 Å²	131.1	75%	0.749	67%	0.669	S	S	*	*			trans	-70.6	132.7	178.3	-61.2	174.5	0	0	0	108.6
807	E	48.2	Very low	61.3	Low	166 Å²	166	128.6 Å²	128.6	78%	0.776	65%	0.647	S	S	*	*			trans	-90.2	115.4	174.1	-64.5	-175.3	142.3	0	0	109.4	T809	E807-T809 PolarHBondContact O-N 3.1Å
808	E	60.5	Low	64.2	Low	170 Å²	170	124.7 Å²	124.7	79%	0.794	63%	0.629	S	S	*	*			trans	-78.7	87.5	179.3	-67.3	-175.2	149.3	0	0	111.2	G840	E808-G840 WeakPolarHBondContact O-CA 3.21Å
809	T	76.7	Confident	66.9	Low	71 Å²	71	120.8 Å²	120.8	44%	0.436	60%	0.602	S	S	.	*	P	Polyproline II helix	trans	-58.9	142.8	172.1	58.9	0	0	0	0	112	E807 Q811 K838	E807-T809 PolarHBondContact O-N 3.1Å; T809-Q811 PolarHBondContact O-N 3.46Å; T809-K838 HydrophobicContact CG2-CB 4.34Å; T809-K838 HydrophobicContact CG2-CG 4.33Å
810	F	85.9	Confident	69.6	Low	47 Å²	47	116 Å²	116	21%	0.206	57%	0.57	C	S	.	*	P	Polyproline II helix	trans	-67.6	124.5	-178.3	-166.4	-86.3	0	0	0	111.1	L812 I837 G840 F843 L844 F914	F810-L812 HydrophobicContact CD1-CD2 4.03Å; F810-L812 HydrophobicContact CE1-CD2 3.98Å; F810-I837 HydrophobicContact CB-CG1 4.22Å; F810-I837 WeakPolarHBondContact CB-O 3.38Å; F810-I837 PolarHBondContact N-O 2.78Å; F810-I837 VanDerWaalsContact O-CG1 3.29Å; F810-I837 WeakPolarHBondContact O-CG1 3.2Å; F810-G840 WeakPolarHBondContact CD2-O 3.3Å; F810-F843 HydrophobicContact CB-CB 3.95Å; F810-F843 HydrophobicContact CB-CD1 4.06Å; F810-F843 HydrophobicContact CB-CG 4.14Å; F810-F843 AromaticContact CD1-CD1 3.38Å; F810-F843 HydrophobicContact CD1-CD1 3.38Å; F810-F843 AromaticContact CD1-CE1 3.66Å; F810-F843 HydrophobicContact CD1-CE1 3.66Å; F810-F843 HydrophobicContact CD1-CG 4.28Å; F810-F843 HydrophobicContact CD2-CB 4.34Å; F810-F843 HydrophobicContact CD2-CD1 4.02Å; F810-F843 AromaticContact CE1-CD1 3.77Å; F810-F843 HydrophobicContact CE1-CD1 3.77Å; F810-F843 AromaticContact CE1-CE1 3.84Å; F810-F843 HydrophobicContact CE1-CE1 3.84Å; F810-F843 HydrophobicContact CE2-CD1 4.35Å; F810-F843 HydrophobicContact CG-CB 4.11Å; F810-F843 AromaticContact CG-CD1 3.53Å; F810-F843 HydrophobicContact CG-CD1 3.53Å; F810-F843 HydrophobicContact CG-CE1 4.28Å; F810-F843 HydrophobicContact CG-CG 4.09Å; F810-F843 HydrophobicContact CZ-CD1 4.24Å; F810-L844 HydrophobicContact CE1-CD2 4.42Å; F810-L844 HydrophobicContact CE2-CD1 3.8Å; F810-L844 HydrophobicContact CE2-CD2 4.1Å; F810-L844 HydrophobicContact CE2-CG 3.7Å; F810-L844 HydrophobicContact CZ-CD1 4.08Å; F810-L844 HydrophobicContact CZ-CD2 3.75Å; F810-L844 HydrophobicContact CZ-CG 3.91Å; F810-F914 HydrophobicContact CE1-CE1 4.26Å
811	Q	87.1	Confident	72.3	Confident	169 Å²	169	117 Å²	117	79%	0.79	56%	0.564	S	S	*	*	P	Polyproline II helix	trans	-90.7	122.2	-178.6	-63.2	-173.1	7.5	0	0	111.1	T809	T809-Q811 PolarHBondContact O-N 3.46Å
812	L	89	Confident	75	Confident	20 Å²	20	114.1 Å²	114.1	11%	0.105	54%	0.542	C	S	.	.	P	Polyproline II helix	trans	-93.1	134.6	172.8	-66	178.7	0	0	0	110.8	F810 Q816 Q817 I820 M834 I837 F843 F914	F810-L812 HydrophobicContact CD1-CD2 4.03Å; F810-L812 HydrophobicContact CE1-CD2 3.98Å; L812-Q816 HydrophobicContact CB-CB 4.49Å; L812-Q816 HydrophobicContact CD2-CB 4.45Å; L812-Q817 HydrophobicContact CB-CG 3.71Å; L812-Q817 HydrophobicContact CD1-CG 4.3Å; L812-Q817 PolarHBondContact O-NE2 3.08Å; L812-I820 HydrophobicContact CD1-CD1 4.07Å; L812-M834 HydrophobicContact CD1-CE 4.21Å; L812-M834 HydrophobicContact CD1-SD 3.57Å; L812-M834 VanDerWaalsContact CD1-SD 3.57Å; L812-I837 HydrophobicContact CD1-CD1 3.68Å; L812-I837 HydrophobicContact CG-CD1 3.86Å; L812-F843 HydrophobicContact CD2-CE1 3.97Å; L812-F843 HydrophobicContact CD2-CZ 4.15Å; L812-F914 HydrophobicContact CD2-CE1 3.45Å; L812-F914 VanDerWaalsContact CD2-CE1 3.45Å; L812-F914 HydrophobicContact CD2-CZ 3.56Å
813	T	92.6	Very high	77.5	Confident	75 Å²	75	104.9 Å²	104.9	46%	0.46	50%	0.502	S	S	.	.	P	Polyproline II helix	trans	-67.7	152.9	171.5	71.3	0	0	0	0	110.8	Q815 Q816 Q817	T813-Q815 PolarHBondContact O-N 3.05Å; T813-Q815 VanDerWaalsContact O-N 3.16Å; T813-Q816 WeakPolarHBondContact O-CB 3.37Å; T813-Q816 PolarHBondContact O-N 2.87Å; T813-Q816 WeakPolarHBondContact OG1-CG 3.45Å; T813-Q816 PolarHBondContact OG1-N 2.76Å; T813-Q816 PolarHBondContact OG1-OE1 3.28Å; T813-Q817 WeakPolarHBondContact O-CG 3.47Å; T813-Q817 PolarHBondContact O-N 2.83Å
814	E	90.3	Very high	80	Confident	169 Å²	169	96.7 Å²	96.7	79%	0.79	49%	0.488	S	S	*	.	H	α-helix	trans	-54.4	-36.1	176	-61.6	-178.7	158.7	0	0	111.9	Q817 Q818	E814-Q817 PolarHBondContact O-N 3.04Å; E814-Q818 WeakPolarHBondContact O-CB 3.26Å; E814-Q818 PolarHBondContact O-N 3.07Å
815	Q	91.6	Very high	82.5	Confident	121 Å²	121	92.9 Å²	92.9	57%	0.565	47%	0.47	S	S	*	.	H	α-helix	trans	-64.6	-41.7	175.7	-167.6	-175.9	33	0	0	112.4	T813 L819	T813-Q815 PolarHBondContact O-N 3.05Å; T813-Q815 VanDerWaalsContact O-N 3.16Å; Q815-L819 HydrophobicContact CG-CD1 4.12Å; Q815-L819 VanDerWaalsContact O-CB 3.3Å; Q815-L819 WeakPolarHBondContact O-CB 3.28Å; Q815-L819 VanDerWaalsContact O-CG 3.27Å; Q815-L819 WeakPolarHBondContact O-CG 3.4Å; Q815-L819 PolarHBondContact O-N 2.97Å
816	Q	92.3	Very high	85.2	Confident	19 Å²	19	83.8 Å²	83.8	9%	0.089	43%	0.431	C	S	.	.	H	α-helix	trans	-64.8	-46.5	174.3	-74.3	165.6	-23.2	0	0	110.6	L812 T813 Q818 L819 I820 L910 Q913 F914	L812-Q816 HydrophobicContact CB-CB 4.49Å; L812-Q816 HydrophobicContact CD2-CB 4.45Å; T813-Q816 WeakPolarHBondContact O-CB 3.37Å; T813-Q816 PolarHBondContact O-N 2.87Å; T813-Q816 WeakPolarHBondContact OG1-CG 3.45Å; T813-Q816 PolarHBondContact OG1-N 2.76Å; T813-Q816 PolarHBondContact OG1-OE1 3.28Å; Q816-Q818 PolarHBondContact O-N 3.09Å; Q816-L819 PolarHBondContact O-N 2.9Å; Q816-I820 WeakPolarHBondContact O-CB 3.46Å; Q816-I820 WeakPolarHBondContact O-CD1 3.19Å; Q816-I820 WeakPolarHBondContact O-CG1 3.37Å; Q816-I820 PolarHBondContact O-N 2.99Å; Q816-L910 HydrophobicContact CB-CD2 4.29Å; Q816-L910 HydrophobicContact CG-CD2 4.35Å; Q816-Q913 VanDerWaalsContact CG-OE1 3.32Å; Q816-F914 HydrophobicContact CB-CZ 4.17Å; Q816-F914 HydrophobicContact CG-CE1 4.23Å; Q816-F914 HydrophobicContact CG-CZ 4.05Å
817	Q	92.7	Very high	87.6	Confident	91 Å²	91	82.9 Å²	82.9	43%	0.425	42%	0.421	S	S	.	.	H	α-helix	trans	-58.6	-46.4	178.9	-64.4	178	40.4	0	0	111.7	L812 T813 E814 I820 Q821	L812-Q817 HydrophobicContact CB-CG 3.71Å; L812-Q817 HydrophobicContact CD1-CG 4.3Å; L812-Q817 PolarHBondContact O-NE2 3.08Å; T813-Q817 WeakPolarHBondContact O-CG 3.47Å; T813-Q817 PolarHBondContact O-N 2.83Å; E814-Q817 PolarHBondContact O-N 3.04Å; Q817-I820 PolarHBondContact O-N 3.35Å; Q817-Q821 WeakPolarHBondContact O-CG 3.41Å; Q817-Q821 PolarHBondContact O-N 3.15Å; Q817-Q821 VanDerWaalsContact O-N 3.14Å
818	Q	93.4	Very high	89.7	Confident	104 Å²	104	83.4 Å²	83.4	49%	0.486	42%	0.421	S	S	.	.	H	α-helix	trans	-62.8	-49.5	175.9	-175.2	62.2	57.4	0	0	111.4	E814 Q816 I820 Q821 D822	E814-Q818 WeakPolarHBondContact O-CB 3.26Å; E814-Q818 PolarHBondContact O-N 3.07Å; Q816-Q818 PolarHBondContact O-N 3.09Å; Q818-I820 PolarHBondContact O-N 2.86Å; Q818-Q821 PolarHBondContact O-N 3.34Å; Q818-D822 PolarHBondContact NE2-OD1 3.3Å; Q818-D822 VanDerWaalsContact O-CB 3.28Å; Q818-D822 WeakPolarHBondContact O-CB 3.43Å; Q818-D822 PolarHBondContact O-N 3.06Å
819	L	93.3	Very high	91.3	Very high	30 Å²	30	77.1 Å²	77.1	16%	0.157	39%	0.393	C	S	.	.	H	α-helix	trans	-60.1	-33	-179.7	-79.5	171.3	0	0	0	113	Q815 Q816 D822 D823 I909 L910	Q815-L819 HydrophobicContact CG-CD1 4.12Å; Q815-L819 VanDerWaalsContact O-CB 3.3Å; Q815-L819 WeakPolarHBondContact O-CB 3.28Å; Q815-L819 VanDerWaalsContact O-CG 3.27Å; Q815-L819 WeakPolarHBondContact O-CG 3.4Å; Q815-L819 PolarHBondContact O-N 2.97Å; Q816-L819 PolarHBondContact O-N 2.9Å; L819-D822 WeakPolarHBondContact O-CB 3.19Å; L819-D823 PolarHBondContact O-N 3.3Å; L819-I909 HydrophobicContact CD1-CG2 3.71Å; L819-L910 HydrophobicContact CB-CD1 4.02Å; L819-L910 HydrophobicContact CB-CD2 3.58Å; L819-L910 HydrophobicContact CB-CG 3.81Å; L819-L910 HydrophobicContact CD1-CD2 4.19Å; L819-L910 HydrophobicContact CD1-CG 4.44Å
820	I	95.1	Very high	92.2	Very high	17 Å²	17	74 Å²	74	9%	0.087	37%	0.373	C	S	.	.	H	α-helix	trans	-67.3	-50.8	175.1	-74.1	165.5	0	0	0	110.8	L812 Q816 Q817 Q818 D822 D823 W830 M834 L910 F914	L812-I820 HydrophobicContact CD1-CD1 4.07Å; Q816-I820 WeakPolarHBondContact O-CB 3.46Å; Q816-I820 WeakPolarHBondContact O-CD1 3.19Å; Q816-I820 WeakPolarHBondContact O-CG1 3.37Å; Q816-I820 PolarHBondContact O-N 2.99Å; Q817-I820 PolarHBondContact O-N 3.35Å; Q818-I820 PolarHBondContact O-N 2.86Å; I820-D822 PolarHBondContact O-N 3.45Å; I820-D823 PolarHBondContact O-N 2.84Å; I820-W830 HydrophobicContact CB-CD2 4.42Å; I820-W830 HydrophobicContact CB-CE3 4.46Å; I820-W830 HydrophobicContact CD1-CE3 4Å; I820-W830 HydrophobicContact CD1-CZ3 3.88Å; I820-W830 HydrophobicContact CG1-CD2 4.01Å; I820-W830 HydrophobicContact CG1-CE3 3.71Å; I820-W830 HydrophobicContact CG1-CH2 4.12Å; I820-W830 HydrophobicContact CG1-CZ2 4.39Å; I820-W830 HydrophobicContact CG1-CZ3 3.74Å; I820-W830 HydrophobicContact CG2-CB 3.8Å; I820-W830 HydrophobicContact CG2-CD2 3.91Å; I820-W830 HydrophobicContact CG2-CE3 4.01Å; I820-W830 HydrophobicContact CG2-CG 3.82Å; I820-M834 HydrophobicContact CD1-CE 3.89Å; I820-M834 HydrophobicContact CD1-SD 4.43Å; I820-L910 HydrophobicContact CG1-CD1 3.76Å; I820-L910 HydrophobicContact CG1-CD2 3.94Å; I820-F914 HydrophobicContact CD1-CE2 4.4Å; I820-F914 HydrophobicContact CD1-CZ 4.17Å
821	Q	92.3	Very high	92.4	Very high	141 Å²	141	75.3 Å²	75.3	66%	0.659	38%	0.382	S	S	*	.	H	α-helix	trans	-60.1	-36.2	176.2	-67.1	175.7	29	0	0	111.7	Q817 Q818 D823	Q817-Q821 WeakPolarHBondContact O-CG 3.41Å; Q817-Q821 PolarHBondContact O-N 3.15Å; Q817-Q821 VanDerWaalsContact O-N 3.14Å; Q818-Q821 PolarHBondContact O-N 3.34Å; Q821-D823 VanDerWaalsContact C-N 3.26Å; Q821-D823 PolarHBondContact O-N 3.19Å
822	D	92.8	Very high	92.7	Very high	66 Å²	66	71 Å²	71	35%	0.353	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-22.9	176.4	-106.5	66.8	0	0	0	113.5	Q818 L819 I820 A824 K906	Q818-D822 PolarHBondContact NE2-OD1 3.3Å; Q818-D822 VanDerWaalsContact O-CB 3.28Å; Q818-D822 WeakPolarHBondContact O-CB 3.43Å; Q818-D822 PolarHBondContact O-N 3.06Å; L819-D822 WeakPolarHBondContact O-CB 3.19Å; I820-D822 PolarHBondContact O-N 3.45Å; D822-A824 VanDerWaalsContact C-N 3.29Å; D822-A824 PolarHBondContact O-N 3.49Å; D822-A824 VanDerWaalsContact O-N 3.15Å; D822-K906 HydrophobicContact CB-CD 3.92Å; D822-K906 VanDerWaalsContact CB-NZ 3.35Å; D822-K906 VanDerWaalsContact O-CD 3.28Å; D822-K906 WeakPolarHBondContact O-CD 3.46Å; D822-K906 PolarHBondContact O-NZ 2.95Å; D822-K906 WeakPolarHBondContact OD2-CE 3.19Å; D822-K906 IonicContact OD2-NZ 3.49Å; D822-K906 PolarHBondContact OD2-NZ 3.18Å
823	D	94.7	Very high	92.8	Very high	4 Å²	4	70 Å²	70	2%	0.021	36%	0.357	C	S	.	.			trans	-89.7	55.1	-176.2	-169.1	18	0	0	0	113.1	L819 I820 Q821 A825 N826 K827 W830 N904 K906	L819-D823 PolarHBondContact O-N 3.3Å; I820-D823 PolarHBondContact O-N 2.84Å; Q821-D823 VanDerWaalsContact C-N 3.26Å; Q821-D823 PolarHBondContact O-N 3.19Å; D823-A825 PolarHBondContact O-N 2.85Å; D823-N826 PolarHBondContact O-N 2.92Å; D823-N826 WeakPolarHBondContact OD2-CB 3.36Å; D823-N826 PolarHBondContact OD2-ND2 3.16Å; D823-K827 PolarHBondContact O-N 3.36Å; D823-W830 PolarHBondContact OD2-NE1 3.4Å; D823-N904 PolarHBondContact OD1-ND2 3.09Å; D823-N904 PolarHBondContact OD2-ND2 2.98Å; D823-K906 HydrophobicContact CB-CB 4.13Å
824	A	92.4	Very high	92.7	Very high	79 Å²	79	68.8 Å²	68.8	65%	0.653	35%	0.347	S	S	*	.	G	3₁₀ helix	trans	-54.7	-25.5	-174.7	0	0	0	0	0	115.1	D822 N826 K827	D822-A824 VanDerWaalsContact C-N 3.29Å; D822-A824 PolarHBondContact O-N 3.49Å; D822-A824 VanDerWaalsContact O-N 3.15Å; A824-N826 PolarHBondContact O-N 3.46Å; A824-K827 PolarHBondContact O-N 2.97Å
825	A	90.8	Very high	92.7	Very high	52 Å²	52	68.1 Å²	68.1	43%	0.43	34%	0.344	S	S	.	.	G	3₁₀ helix	trans	-67.3	-26.2	177.2	0	0	0	0	0	113.1	D823 T865 S869	D823-A825 PolarHBondContact O-N 2.85Å; A825-T865 HydrophobicContact CB-CG2 3.9Å; A825-S869 PolarHBondContact O-OG 3.27Å
826	N	95.2	Very high	92.6	Very high	2 Å²	2	64.3 Å²	64.3	1%	0.011	33%	0.325	C	S	.	.	G	3₁₀ helix	trans	-106.5	9.1	178.5	-73.4	-39.8	0	0	0	113.1	D823 A824 K828 L829 W830 F851 T865 N871 N904	D823-N826 PolarHBondContact O-N 2.92Å; D823-N826 WeakPolarHBondContact OD2-CB 3.36Å; D823-N826 PolarHBondContact OD2-ND2 3.16Å; A824-N826 PolarHBondContact O-N 3.46Å; N826-K828 VanDerWaalsContact C-N 3.28Å; N826-K828 PolarHBondContact O-N 2.87Å; N826-L829 WeakPolarHBondContact O-CA 3.44Å; N826-L829 WeakPolarHBondContact O-CB 3.39Å; N826-L829 PolarHBondContact O-N 3.17Å; N826-W830 PolarHBondContact O-N 2.93Å; N826-W830 VanDerWaalsContact O-N 3.07Å; N826-F851 HydrophobicContact CB-CE1 4.16Å; N826-T865 PolarHBondContact ND2-OG1 3.42Å; N826-T865 WeakPolarHBondContact OD1-CG2 3.49Å; N826-N871 PolarHBondContact ND2-OD1 2.71Å; N826-N871 PolarHBondContact OD1-ND2 2.96Å; N826-N871 PolarHBondContact OD1-OD1 3.23Å; N826-N904 PolarHBondContact ND2-ND2 3.31Å; N826-N904 VanDerWaalsContact ND2-ND2 3.11Å
827	K	93.1	Very high	92.4	Very high	128 Å²	128	65.5 Å²	65.5	56%	0.557	33%	0.332	S	S	*	.	H	α-helix	trans	-44.9	-50	-169	-167.9	-164.5	166.2	-176.6	0	113.1	D823 A824 L829 W830 D831	D823-K827 PolarHBondContact O-N 3.36Å; A824-K827 PolarHBondContact O-N 2.97Å; K827-L829 VanDerWaalsContact C-N 3.31Å; K827-L829 PolarHBondContact O-N 3.09Å; K827-W830 CarbonylContact O-C 3.53Å; K827-W830 PolarHBondContact O-N 3Å; K827-W830 VanDerWaalsContact O-N 3.08Å; K827-D831 VanDerWaalsContact CE-OD1 3.28Å; K827-D831 WeakPolarHBondContact CE-OD1 3.49Å; K827-D831 VanDerWaalsContact CE-OD2 3.26Å; K827-D831 WeakPolarHBondContact CE-OD2 3.47Å; K827-D831 PolarHBondContact O-N 3.48Å
828	K	92.5	Very high	92	Very high	176 Å²	176	68.5 Å²	68.5	77%	0.765	34%	0.344	S	S	*	.	H	α-helix	trans	-57.7	-38.1	179.3	-66.4	-171	175.7	-169.7	0	114.4	N826 E832	N826-K828 VanDerWaalsContact C-N 3.28Å; N826-K828 PolarHBondContact O-N 2.87Å; K828-E832 WeakPolarHBondContact O-CB 3.48Å; K828-E832 PolarHBondContact O-N 2.87Å
829	L	93.1	Very high	91.6	Very high	39 Å²	39	67.9 Å²	67.9	20%	0.204	34%	0.341	C	S	.	.	H	α-helix	trans	-74.6	-31.2	178.8	-60.3	176.9	0	0	0	111.3	N826 K827 A833 I850 F851 N871	N826-L829 WeakPolarHBondContact O-CA 3.44Å; N826-L829 WeakPolarHBondContact O-CB 3.39Å; N826-L829 PolarHBondContact O-N 3.17Å; K827-L829 VanDerWaalsContact C-N 3.31Å; K827-L829 PolarHBondContact O-N 3.09Å; L829-A833 VanDerWaalsContact O-CB 3.3Å; L829-A833 WeakPolarHBondContact O-CB 3.47Å; L829-A833 PolarHBondContact O-N 3.33Å; L829-I850 HydrophobicContact CB-CG2 3.71Å; L829-I850 HydrophobicContact CD2-CG2 4.23Å; L829-I850 HydrophobicContact CG-CG2 4.4Å; L829-F851 HydrophobicContact CB-CE1 4.03Å; L829-F851 HydrophobicContact CB-CZ 3.93Å; L829-F851 HydrophobicContact CD1-CE1 4.05Å; L829-N871 WeakPolarHBondContact CD1-ND2 3.06Å
830	W	95.4	Very high	91	Very high	4 Å²	4	66.6 Å²	66.6	2%	0.015	34%	0.335	C	S	.	.	H	α-helix	trans	-74.4	-41.4	171.4	-74.1	120.8	0	0	0	112.2	I820 D823 N826 K827 A833 M834 L847 F851 L907 L910 F914	I820-W830 HydrophobicContact CB-CD2 4.42Å; I820-W830 HydrophobicContact CB-CE3 4.46Å; I820-W830 HydrophobicContact CD1-CE3 4Å; I820-W830 HydrophobicContact CD1-CZ3 3.88Å; I820-W830 HydrophobicContact CG1-CD2 4.01Å; I820-W830 HydrophobicContact CG1-CE3 3.71Å; I820-W830 HydrophobicContact CG1-CH2 4.12Å; I820-W830 HydrophobicContact CG1-CZ2 4.39Å; I820-W830 HydrophobicContact CG1-CZ3 3.74Å; I820-W830 HydrophobicContact CG2-CB 3.8Å; I820-W830 HydrophobicContact CG2-CD2 3.91Å; I820-W830 HydrophobicContact CG2-CE3 4.01Å; I820-W830 HydrophobicContact CG2-CG 3.82Å; D823-W830 PolarHBondContact OD2-NE1 3.4Å; N826-W830 PolarHBondContact O-N 2.93Å; N826-W830 VanDerWaalsContact O-N 3.07Å; K827-W830 CarbonylContact O-C 3.53Å; K827-W830 PolarHBondContact O-N 3Å; K827-W830 VanDerWaalsContact O-N 3.08Å; W830-A833 HydrophobicContact CE3-CB 4.38Å; W830-A833 PolarHBondContact O-N 2.89Å; W830-M834 HydrophobicContact CE3-CE 4Å; W830-M834 HydrophobicContact CZ3-CE 4.44Å; W830-M834 VanDerWaalsContact O-CG 3.29Å; W830-M834 WeakPolarHBondContact O-CG 3.33Å; W830-M834 PolarHBondContact O-N 3.05Å; W830-L847 HydrophobicContact CE3-CD1 4.23Å; W830-L847 HydrophobicContact CH2-CD1 4.39Å; W830-L847 HydrophobicContact CH2-CD2 4.34Å; W830-L847 HydrophobicContact CZ3-CD1 3.62Å; W830-L847 HydrophobicContact CZ3-CD2 4.18Å; W830-L847 HydrophobicContact CZ3-CG 4.32Å; W830-F851 AromaticContact CD2-CE2 3.95Å; W830-F851 HydrophobicContact CD2-CE2 3.95Å; W830-F851 AromaticContact CD2-CZ 3.7Å; W830-F851 HydrophobicContact CD2-CZ 3.7Å; W830-F851 AromaticContact CE2-CE2 3.82Å; W830-F851 AromaticContact CE2-CZ 3.43Å; W830-F851 VanDerWaalsContact CE2-CZ 3.43Å; W830-F851 AromaticContact CE3-CE2 3.93Å; W830-F851 HydrophobicContact CE3-CE2 3.93Å; W830-F851 HydrophobicContact CE3-CZ 4.17Å; W830-F851 HydrophobicContact CG-CZ 4.17Å; W830-F851 HydrophobicContact CH2-CD2 4.36Å; W830-F851 AromaticContact CH2-CE2 3.67Å; W830-F851 HydrophobicContact CH2-CE2 3.67Å; W830-F851 HydrophobicContact CH2-CZ 4.15Å; W830-F851 HydrophobicContact CZ2-CD2 4.48Å; W830-F851 HydrophobicContact CZ2-CE1 4.46Å; W830-F851 AromaticContact CZ2-CE2 3.67Å; W830-F851 HydrophobicContact CZ2-CE2 3.67Å; W830-F851 AromaticContact CZ2-CZ 3.66Å; W830-F851 HydrophobicContact CZ2-CZ 3.66Å; W830-F851 AromaticContact CZ3-CE2 3.83Å; W830-F851 HydrophobicContact CZ3-CE2 3.83Å; W830-F851 HydrophobicContact CZ3-CZ 4.4Å; W830-F851 AromaticContact NE1-CZ 3.77Å; W830-L907 HydrophobicContact CH2-CD1 4.34Å; W830-L907 HydrophobicContact CZ2-CD1 3.58Å; W830-L910 HydrophobicContact CH2-CB 3.99Å; W830-L910 HydrophobicContact CH2-CD1 3.73Å; W830-L910 HydrophobicContact CH2-CG 4.37Å; W830-L910 HydrophobicContact CZ2-CB 4.11Å; W830-L910 HydrophobicContact CZ2-CD1 3.32Å; W830-L910 HydrophobicContact CZ2-CG 4.32Å; W830-F914 HydrophobicContact CH2-CD2 4.48Å; W830-F914 AromaticContact CH2-CE2 3.98Å; W830-F914 HydrophobicContact CH2-CE2 3.98Å; W830-F914 HydrophobicContact CZ3-CE2 4.04Å
831	D	91.8	Very high	90	Very high	76 Å²	76	70.9 Å²	70.9	41%	0.406	36%	0.364	S	S	.	.	H	α-helix	trans	-56	-51.3	172.6	-63	-31.6	0	0	0	109.4	K827 A833 M834 E835	K827-D831 VanDerWaalsContact CE-OD1 3.28Å; K827-D831 WeakPolarHBondContact CE-OD1 3.49Å; K827-D831 VanDerWaalsContact CE-OD2 3.26Å; K827-D831 WeakPolarHBondContact CE-OD2 3.47Å; K827-D831 PolarHBondContact O-N 3.48Å; D831-A833 PolarHBondContact O-N 3.49Å; D831-M834 PolarHBondContact O-N 2.87Å; D831-E835 PolarHBondContact O-N 3.43Å
832	E	92	Very high	89.4	Confident	78 Å²	78	67.4 Å²	67.4	36%	0.364	35%	0.35	S	S	.	.	H	α-helix	trans	-56.5	-45.9	173.8	-175.3	-167.5	153.6	0	0	112.4	K828 M834 E835 H836 K846 I850	K828-E832 WeakPolarHBondContact O-CB 3.48Å; K828-E832 PolarHBondContact O-N 2.87Å; E832-M834 VanDerWaalsContact C-N 3.33Å; E832-M834 PolarHBondContact O-N 2.77Å; E832-E835 PolarHBondContact O-N 3.46Å; E832-H836 PolarHBondContact O-CD2 3.2Å; E832-K846 IonicContact OE1-NZ 3.23Å; E832-I850 HydrophobicContact CB-CD1 4.46Å; E832-I850 HydrophobicContact CG-CD1 4.09Å
833	A	91.2	Very high	89.2	Confident	0 Å²	0	64.3 Å²	64.3	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-61.7	-39.6	178.1	0	0	0	0	0	112.7	L829 W830 D831 E835 H836 F843 L847 I850	L829-A833 VanDerWaalsContact O-CB 3.3Å; L829-A833 WeakPolarHBondContact O-CB 3.47Å; L829-A833 PolarHBondContact O-N 3.33Å; W830-A833 HydrophobicContact CE3-CB 4.38Å; W830-A833 PolarHBondContact O-N 2.89Å; D831-A833 PolarHBondContact O-N 3.49Å; A833-E835 VanDerWaalsContact C-N 3.29Å; A833-E835 PolarHBondContact O-N 2.87Å; A833-H836 PolarHBondContact O-N 3.16Å; A833-F843 WeakPolarHBondContact O-CE2 3.38Å; A833-L847 HydrophobicContact CB-CD1 3.53Å; A833-I850 HydrophobicContact CB-CD1 3.84Å
834	M	91.7	Very high	88.8	Confident	49 Å²	49	66.3 Å²	66.3	24%	0.241	34%	0.343	C	S	.	.	H	α-helix	trans	-68	-25.9	-177.5	-69.8	-48.4	99.1	0	0	112.9	L812 I820 W830 D831 E832 H836 I837 F843	L812-M834 HydrophobicContact CD1-CE 4.21Å; L812-M834 HydrophobicContact CD1-SD 3.57Å; L812-M834 VanDerWaalsContact CD1-SD 3.57Å; I820-M834 HydrophobicContact CD1-CE 3.89Å; I820-M834 HydrophobicContact CD1-SD 4.43Å; W830-M834 HydrophobicContact CE3-CE 4Å; W830-M834 HydrophobicContact CZ3-CE 4.44Å; W830-M834 VanDerWaalsContact O-CG 3.29Å; W830-M834 WeakPolarHBondContact O-CG 3.33Å; W830-M834 PolarHBondContact O-N 3.05Å; D831-M834 PolarHBondContact O-N 2.87Å; E832-M834 VanDerWaalsContact C-N 3.33Å; E832-M834 PolarHBondContact O-N 2.77Å; M834-H836 PolarHBondContact O-N 2.82Å; M834-I837 VanDerWaalsContact O-CB 3.3Å; M834-I837 WeakPolarHBondContact O-CB 3.35Å; M834-I837 WeakPolarHBondContact O-CG2 3.32Å; M834-I837 PolarHBondContact O-N 3.25Å; M834-I837 VanDerWaalsContact O-N 3.15Å; M834-I837 HydrophobicContact SD-CD1 4.46Å; M834-F843 HydrophobicContact CE-CE2 3.87Å; M834-F843 HydrophobicContact CE-CZ 3.8Å
835	E	90.1	Very high	88.4	Confident	155 Å²	155	70 Å²	70	72%	0.724	34%	0.341	S	S	*	.	H	α-helix	trans	-59.5	-35.5	174.6	-65	-173.2	171	0	0	111.6	D831 E832 A833 I837	D831-E835 PolarHBondContact O-N 3.43Å; E832-E835 PolarHBondContact O-N 3.46Å; A833-E835 VanDerWaalsContact C-N 3.29Å; A833-E835 PolarHBondContact O-N 2.87Å; E835-I837 VanDerWaalsContact C-N 3.34Å; E835-I837 PolarHBondContact O-N 2.87Å
836	H	88.6	Confident	88.3	Confident	40 Å²	40	70.1 Å²	70.1	19%	0.185	33%	0.331	C	S	.	.	G	3₁₀ helix	trans	-83.9	2.7	179.7	-65.1	-78.7	0	0	0	114.5	E832 A833 M834 K838 E839 K846	E832-H836 PolarHBondContact O-CD2 3.2Å; A833-H836 PolarHBondContact O-N 3.16Å; M834-H836 PolarHBondContact O-N 2.82Å; H836-K838 PolarHBondContact O-N 3.09Å; H836-K838 VanDerWaalsContact O-N 3.11Å; H836-E839 IonicContact CE1-OE1 3.7Å; H836-E839 IonicContact CG-OE1 3.72Å; H836-E839 IonicContact ND1-OE1 2.82Å; H836-E839 PolarHBondContact ND1-OE1 2.75Å; H836-E839 IonicContact ND1-OE2 3Å; H836-E839 WeakPolarHBondContact O-CB 3.41Å; H836-E839 PolarHBondContact O-N 3.41Å; H836-K846 HydrophobicContact CB-CB 4.35Å; H836-K846 HydrophobicContact CB-CG 4.13Å; H836-K846 VanDerWaalsContact NE2-CE 3.32Å; H836-K846 WeakPolarHBondContact NE2-CE 3.3Å; H836-K846 PolarHBondContact NE2-NZ 3.08Å
837	I	88.5	Confident	88.2	Confident	45 Å²	45	70 Å²	70	23%	0.231	33%	0.331	C	S	.	.	G	3₁₀ helix	trans	-58.9	-26.7	-179.6	-161.5	173.7	0	0	0	113.3	F810 L812 M834 E835 E839 F843	F810-I837 HydrophobicContact CB-CG1 4.22Å; F810-I837 WeakPolarHBondContact CB-O 3.38Å; F810-I837 PolarHBondContact N-O 2.78Å; F810-I837 VanDerWaalsContact O-CG1 3.29Å; F810-I837 WeakPolarHBondContact O-CG1 3.2Å; L812-I837 HydrophobicContact CD1-CD1 3.68Å; L812-I837 HydrophobicContact CG-CD1 3.86Å; M834-I837 VanDerWaalsContact O-CB 3.3Å; M834-I837 WeakPolarHBondContact O-CB 3.35Å; M834-I837 WeakPolarHBondContact O-CG2 3.32Å; M834-I837 PolarHBondContact O-N 3.25Å; M834-I837 VanDerWaalsContact O-N 3.15Å; M834-I837 HydrophobicContact SD-CD1 4.46Å; E835-I837 VanDerWaalsContact C-N 3.34Å; E835-I837 PolarHBondContact O-N 2.87Å; I837-E839 PolarHBondContact O-N 3.38Å; I837-F843 HydrophobicContact CB-CD2 4.26Å; I837-F843 HydrophobicContact CB-CE2 4.36Å; I837-F843 HydrophobicContact CG1-CE2 4.49Å
838	K	84.9	Confident	88.1	Confident	154 Å²	154	68.4 Å²	68.4	67%	0.67	33%	0.325	S	S	*	.	G	3₁₀ helix	trans	-71.3	-17.3	179.1	-62.6	178.1	-177.1	172.6	0	113.3	T809 H836 G840	T809-K838 HydrophobicContact CG2-CB 4.34Å; T809-K838 HydrophobicContact CG2-CG 4.33Å; H836-K838 PolarHBondContact O-N 3.09Å; H836-K838 VanDerWaalsContact O-N 3.11Å; K838-G840 PolarHBondContact O-N 3.34Å; K838-G840 VanDerWaalsContact O-N 3.17Å
839	E	83.7	Confident	87.9	Confident	90 Å²	90	65.8 Å²	65.8	42%	0.421	32%	0.316	S	S	.	.	G	3₁₀ helix	trans	-78.5	7.8	-177.8	-55.1	-176.4	-176	0	0	114.4	H836 I837 N842	H836-E839 IonicContact CE1-OE1 3.7Å; H836-E839 IonicContact CG-OE1 3.72Å; H836-E839 IonicContact ND1-OE1 2.82Å; H836-E839 PolarHBondContact ND1-OE1 2.75Å; H836-E839 IonicContact ND1-OE2 3Å; H836-E839 WeakPolarHBondContact O-CB 3.41Å; H836-E839 PolarHBondContact O-N 3.41Å; I837-E839 PolarHBondContact O-N 3.38Å; E839-N842 HydrophobicContact CB-CB 4Å; E839-N842 PolarHBondContact O-N 2.93Å; E839-N842 VanDerWaalsContact O-N 3.17Å
840	G	81.8	Confident	87.9	Confident	3 Å²	3	65.2 Å²	65.2	3%	0.031	31%	0.312	C	S	.	.	G	3₁₀ helix	trans	57.9	-127	175.1	0	0	0	0	0	111.7	E808 F810 K838 N842 F843	E808-G840 WeakPolarHBondContact O-CA 3.21Å; F810-G840 WeakPolarHBondContact CD2-O 3.3Å; K838-G840 PolarHBondContact O-N 3.34Å; K838-G840 VanDerWaalsContact O-N 3.17Å; G840-N842 PolarHBondContact O-N 3.18Å; G840-F843 VanDerWaalsContact O-CB 3.29Å; G840-F843 WeakPolarHBondContact O-CB 3.35Å; G840-F843 PolarHBondContact O-N 3.1Å
841	P	73.6	Confident	87.9	Confident	107 Å²	107	65 Å²	65	70%	0.695	31%	0.312	S	S	*	.	G	3₁₀ helix	trans	-55.7	-18.5	179.5	-27.5	35.9	0	0	0	116.2
842	N	78.7	Confident	88	Confident	68 Å²	68	65.7 Å²	65.7	36%	0.364	31%	0.314	S	S	.	.	G	3₁₀ helix	trans	-79.2	-20.4	176.8	-66.7	-59.8	0	0	0	113.7	E839 G840 L844 R845 K846	E839-N842 HydrophobicContact CB-CB 4Å; E839-N842 PolarHBondContact O-N 2.93Å; E839-N842 VanDerWaalsContact O-N 3.17Å; G840-N842 PolarHBondContact O-N 3.18Å; N842-L844 VanDerWaalsContact C-N 3.25Å; N842-L844 PolarHBondContact O-N 3.36Å; N842-R845 WeakPolarHBondContact O-CA 3.2Å; N842-R845 WeakPolarHBondContact O-CB 3.43Å; N842-R845 PolarHBondContact O-N 2.9Å; N842-R845 PolarHBondContact OD1-NH1 3.14Å; N842-K846 PolarHBondContact O-N 3.32Å
843	F	89.8	Confident	88.1	Confident	1 Å²	1	62 Å²	62	0%	0.004	30%	0.296	C	S	.	.	H	α-helix	trans	-50.7	-44.8	177	166.6	-103.9	0	0	0	112.1	F810 L812 A833 M834 I837 G840 R845 K846 L847 F914	F810-F843 HydrophobicContact CB-CB 3.95Å; F810-F843 HydrophobicContact CB-CD1 4.06Å; F810-F843 HydrophobicContact CB-CG 4.14Å; F810-F843 AromaticContact CD1-CD1 3.38Å; F810-F843 HydrophobicContact CD1-CD1 3.38Å; F810-F843 AromaticContact CD1-CE1 3.66Å; F810-F843 HydrophobicContact CD1-CE1 3.66Å; F810-F843 HydrophobicContact CD1-CG 4.28Å; F810-F843 HydrophobicContact CD2-CB 4.34Å; F810-F843 HydrophobicContact CD2-CD1 4.02Å; F810-F843 AromaticContact CE1-CD1 3.77Å; F810-F843 HydrophobicContact CE1-CD1 3.77Å; F810-F843 AromaticContact CE1-CE1 3.84Å; F810-F843 HydrophobicContact CE1-CE1 3.84Å; F810-F843 HydrophobicContact CE2-CD1 4.35Å; F810-F843 HydrophobicContact CG-CB 4.11Å; F810-F843 AromaticContact CG-CD1 3.53Å; F810-F843 HydrophobicContact CG-CD1 3.53Å; F810-F843 HydrophobicContact CG-CE1 4.28Å; F810-F843 HydrophobicContact CG-CG 4.09Å; F810-F843 HydrophobicContact CZ-CD1 4.24Å; L812-F843 HydrophobicContact CD2-CE1 3.97Å; L812-F843 HydrophobicContact CD2-CZ 4.15Å; A833-F843 WeakPolarHBondContact O-CE2 3.38Å; M834-F843 HydrophobicContact CE-CE2 3.87Å; M834-F843 HydrophobicContact CE-CZ 3.8Å; I837-F843 HydrophobicContact CB-CD2 4.26Å; I837-F843 HydrophobicContact CB-CE2 4.36Å; I837-F843 HydrophobicContact CG1-CE2 4.49Å; G840-F843 VanDerWaalsContact O-CB 3.29Å; G840-F843 WeakPolarHBondContact O-CB 3.35Å; G840-F843 PolarHBondContact O-N 3.1Å; F843-R845 VanDerWaalsContact C-N 3.29Å; F843-R845 PolarHBondContact O-N 2.78Å; F843-K846 PolarHBondContact O-N 3.25Å; F843-K846 VanDerWaalsContact O-N 3.17Å; F843-L847 HydrophobicContact CE2-CD1 4.25Å; F843-L847 HydrophobicContact CZ-CD1 3.96Å; F843-L847 PolarHBondContact O-N 3.03Å; F843-F914 HydrophobicContact CE1-CE1 4.09Å; F843-F914 HydrophobicContact CE1-CZ 4.47Å
844	L	86.9	Confident	88	Confident	46 Å²	46	65.3 Å²	65.3	24%	0.241	32%	0.317	C	S	.	.	H	α-helix	trans	-61.6	-34	177.8	-65.7	177.7	0	0	0	112.9	F810 N842 L847 E848 F914 F915	F810-L844 HydrophobicContact CE1-CD2 4.42Å; F810-L844 HydrophobicContact CE2-CD1 3.8Å; F810-L844 HydrophobicContact CE2-CD2 4.1Å; F810-L844 HydrophobicContact CE2-CG 3.7Å; F810-L844 HydrophobicContact CZ-CD1 4.08Å; F810-L844 HydrophobicContact CZ-CD2 3.75Å; F810-L844 HydrophobicContact CZ-CG 3.91Å; N842-L844 VanDerWaalsContact C-N 3.25Å; N842-L844 PolarHBondContact O-N 3.36Å; L844-L847 PolarHBondContact O-N 2.9Å; L844-E848 PolarHBondContact O-N 2.77Å; L844-F914 HydrophobicContact CD2-CB 4.01Å; L844-F914 HydrophobicContact CD2-CD1 3.76Å; L844-F914 HydrophobicContact CD2-CG 4.22Å; L844-F915 HydrophobicContact CB-CE1 4.35Å; L844-F915 VanDerWaalsContact O-CZ 3.3Å; L844-F915 WeakPolarHBondContact O-CZ 3.29Å
845	R	84.3	Confident	87.7	Confident	158 Å²	158	65.8 Å²	65.8	60%	0.596	32%	0.324	S	S	*	.	H	α-helix	trans	-69.3	-37.5	176.9	-63.8	172.5	167	166.3	-9.3	111.8	N842 F843 Q849	N842-R845 WeakPolarHBondContact O-CA 3.2Å; N842-R845 WeakPolarHBondContact O-CB 3.43Å; N842-R845 PolarHBondContact O-N 2.9Å; N842-R845 PolarHBondContact OD1-NH1 3.14Å; F843-R845 VanDerWaalsContact C-N 3.29Å; F843-R845 PolarHBondContact O-N 2.78Å; R845-Q849 VanDerWaalsContact O-CG 3.3Å; R845-Q849 WeakPolarHBondContact O-CG 3.29Å; R845-Q849 PolarHBondContact O-N 3.36Å; R845-Q849 PolarHBondContact O-NE2 3.22Å
846	K	87.9	Confident	87.6	Confident	53 Å²	53	60.4 Å²	60.4	23%	0.23	30%	0.303	C	S	.	.	H	α-helix	trans	-67.1	-42.7	172.9	-172.9	82.8	-167.7	-148.8	0	110.3	E832 H836 N842 F843 E848 Q849 I850	E832-K846 IonicContact OE1-NZ 3.23Å; H836-K846 HydrophobicContact CB-CB 4.35Å; H836-K846 HydrophobicContact CB-CG 4.13Å; H836-K846 VanDerWaalsContact NE2-CE 3.32Å; H836-K846 WeakPolarHBondContact NE2-CE 3.3Å; H836-K846 PolarHBondContact NE2-NZ 3.08Å; N842-K846 PolarHBondContact O-N 3.32Å; F843-K846 PolarHBondContact O-N 3.25Å; F843-K846 VanDerWaalsContact O-N 3.17Å; K846-E848 VanDerWaalsContact C-N 3.33Å; K846-E848 PolarHBondContact O-N 3.38Å; K846-Q849 WeakPolarHBondContact O-CB 3.45Å; K846-Q849 PolarHBondContact O-N 3.06Å; K846-I850 HydrophobicContact CG-CD1 3.85Å; K846-I850 HydrophobicContact CG-CG1 4.46Å; K846-I850 WeakPolarHBondContact O-CG1 3.4Å; K846-I850 PolarHBondContact O-N 3.11Å
847	L	91.9	Very high	87.6	Confident	0 Å²	0	66 Å²	66	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-60.2	-41.3	177.2	-150.6	79.8	0	0	0	112.9	W830 A833 F843 L844 Q849 I850 F851 F914 F915	W830-L847 HydrophobicContact CE3-CD1 4.23Å; W830-L847 HydrophobicContact CH2-CD1 4.39Å; W830-L847 HydrophobicContact CH2-CD2 4.34Å; W830-L847 HydrophobicContact CZ3-CD1 3.62Å; W830-L847 HydrophobicContact CZ3-CD2 4.18Å; W830-L847 HydrophobicContact CZ3-CG 4.32Å; A833-L847 HydrophobicContact CB-CD1 3.53Å; F843-L847 HydrophobicContact CE2-CD1 4.25Å; F843-L847 HydrophobicContact CZ-CD1 3.96Å; F843-L847 PolarHBondContact O-N 3.03Å; L844-L847 PolarHBondContact O-N 2.9Å; L847-Q849 VanDerWaalsContact C-N 3.3Å; L847-Q849 PolarHBondContact O-N 3.46Å; L847-I850 PolarHBondContact O-N 3.45Å; L847-F851 HydrophobicContact CD1-CD2 4.49Å; L847-F851 HydrophobicContact CD1-CE2 4.24Å; L847-F851 HydrophobicContact CG-CD2 4.23Å; L847-F851 HydrophobicContact CG-CE2 4.44Å; L847-F851 PolarHBondContact O-N 2.78Å; L847-F914 HydrophobicContact CD2-CB 3.99Å; L847-F914 HydrophobicContact CD2-CD1 4.21Å; L847-F914 HydrophobicContact CD2-CD2 3.21Å; L847-F914 HydrophobicContact CD2-CE2 3.61Å; L847-F914 HydrophobicContact CD2-CG 3.55Å; L847-F914 HydrophobicContact CD2-CZ 4.26Å; L847-F915 HydrophobicContact CB-CZ 4.28Å; L847-F915 HydrophobicContact CD2-CE2 4.17Å
848	E	91.1	Very high	87.7	Confident	94 Å²	94	68.2 Å²	68.2	44%	0.439	34%	0.339	S	S	.	.	H	α-helix	trans	-61.5	-39.6	176.7	-165.1	-173.6	178.6	0	0	111.7	L844 K846 M852 L859 F915	L844-E848 PolarHBondContact O-N 2.77Å; K846-E848 VanDerWaalsContact C-N 3.33Å; K846-E848 PolarHBondContact O-N 3.38Å; E848-M852 PolarHBondContact O-N 2.97Å; E848-M852 VanDerWaalsContact O-N 3.15Å; E848-L859 HydrophobicContact CG-CB 4.19Å; E848-L859 HydrophobicContact CG-CD1 4.27Å; E848-L859 HydrophobicContact CG-CD2 4.48Å; E848-F915 HydrophobicContact CB-CE1 3.92Å; E848-F915 HydrophobicContact CB-CZ 3.75Å; E848-F915 HydrophobicContact CG-CE1 4.27Å; E848-F915 HydrophobicContact CG-CZ 4.35Å
849	Q	88.5	Confident	88.2	Confident	122 Å²	122	61.3 Å²	61.3	57%	0.57	31%	0.309	S	S	*	.	H	α-helix	trans	-69.7	-47.6	179	-67.9	167.3	31.6	0	0	112.1	R845 K846 L847 F851 M852	R845-Q849 VanDerWaalsContact O-CG 3.3Å; R845-Q849 WeakPolarHBondContact O-CG 3.29Å; R845-Q849 PolarHBondContact O-N 3.36Å; R845-Q849 PolarHBondContact O-NE2 3.22Å; K846-Q849 WeakPolarHBondContact O-CB 3.45Å; K846-Q849 PolarHBondContact O-N 3.06Å; L847-Q849 VanDerWaalsContact C-N 3.3Å; L847-Q849 PolarHBondContact O-N 3.46Å; Q849-F851 VanDerWaalsContact C-N 3.26Å; Q849-F851 PolarHBondContact O-N 2.69Å; Q849-M852 VanDerWaalsContact O-CB 3.28Å; Q849-M852 WeakPolarHBondContact O-CB 3.43Å; Q849-M852 PolarHBondContact O-N 3.23Å; Q849-M852 VanDerWaalsContact O-N 3.16Å
850	I	93.4	Very high	88.7	Confident	26 Å²	26	57 Å²	57	13%	0.133	29%	0.289	C	S	.	.	H	α-helix	trans	-59.5	-37.7	-179.1	-72	172.4	0	0	0	111.4	L829 E832 A833 K846 L847	L829-I850 HydrophobicContact CB-CG2 3.71Å; L829-I850 HydrophobicContact CD2-CG2 4.23Å; L829-I850 HydrophobicContact CG-CG2 4.4Å; E832-I850 HydrophobicContact CB-CD1 4.46Å; E832-I850 HydrophobicContact CG-CD1 4.09Å; A833-I850 HydrophobicContact CB-CD1 3.84Å; K846-I850 HydrophobicContact CG-CD1 3.85Å; K846-I850 HydrophobicContact CG-CG1 4.46Å; K846-I850 WeakPolarHBondContact O-CG1 3.4Å; K846-I850 PolarHBondContact O-N 3.11Å; L847-I850 PolarHBondContact O-N 3.45Å
851	F	95.9	Very high	89.4	Confident	0 Å²	0	58.2 Å²	58.2	0%	0	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.4	20.5	178.9	-62.9	-69.7	0	0	0	114.1	N826 L829 W830 L847 Q849 L859 A860 L907 L911	N826-F851 HydrophobicContact CB-CE1 4.16Å; L829-F851 HydrophobicContact CB-CE1 4.03Å; L829-F851 HydrophobicContact CB-CZ 3.93Å; L829-F851 HydrophobicContact CD1-CE1 4.05Å; W830-F851 AromaticContact CD2-CE2 3.95Å; W830-F851 HydrophobicContact CD2-CE2 3.95Å; W830-F851 AromaticContact CD2-CZ 3.7Å; W830-F851 HydrophobicContact CD2-CZ 3.7Å; W830-F851 AromaticContact CE2-CE2 3.82Å; W830-F851 AromaticContact CE2-CZ 3.43Å; W830-F851 VanDerWaalsContact CE2-CZ 3.43Å; W830-F851 AromaticContact CE3-CE2 3.93Å; W830-F851 HydrophobicContact CE3-CE2 3.93Å; W830-F851 HydrophobicContact CE3-CZ 4.17Å; W830-F851 HydrophobicContact CG-CZ 4.17Å; W830-F851 HydrophobicContact CH2-CD2 4.36Å; W830-F851 AromaticContact CH2-CE2 3.67Å; W830-F851 HydrophobicContact CH2-CE2 3.67Å; W830-F851 HydrophobicContact CH2-CZ 4.15Å; W830-F851 HydrophobicContact CZ2-CD2 4.48Å; W830-F851 HydrophobicContact CZ2-CE1 4.46Å; W830-F851 AromaticContact CZ2-CE2 3.67Å; W830-F851 HydrophobicContact CZ2-CE2 3.67Å; W830-F851 AromaticContact CZ2-CZ 3.66Å; W830-F851 HydrophobicContact CZ2-CZ 3.66Å; W830-F851 AromaticContact CZ3-CE2 3.83Å; W830-F851 HydrophobicContact CZ3-CE2 3.83Å; W830-F851 HydrophobicContact CZ3-CZ 4.4Å; W830-F851 AromaticContact NE1-CZ 3.77Å; L847-F851 HydrophobicContact CD1-CD2 4.49Å; L847-F851 HydrophobicContact CD1-CE2 4.24Å; L847-F851 HydrophobicContact CG-CD2 4.23Å; L847-F851 HydrophobicContact CG-CE2 4.44Å; L847-F851 PolarHBondContact O-N 2.78Å; Q849-F851 VanDerWaalsContact C-N 3.26Å; Q849-F851 PolarHBondContact O-N 2.69Å; F851-L859 HydrophobicContact CB-CD1 3.95Å; F851-A860 WeakPolarHBondContact O-CB 3.42Å; F851-A860 PolarHBondContact O-N 2.91Å; F851-L907 HydrophobicContact CB-CD1 4.43Å; F851-L907 HydrophobicContact CD1-CD1 3.5Å; F851-L907 HydrophobicContact CD1-CD2 3.61Å; F851-L907 HydrophobicContact CD1-CG 4.22Å; F851-L907 HydrophobicContact CD2-CD1 4.09Å; F851-L907 HydrophobicContact CE1-CD1 3.67Å; F851-L907 HydrophobicContact CE1-CD2 4.03Å; F851-L907 HydrophobicContact CE2-CD1 4.24Å; F851-L907 HydrophobicContact CG-CD1 3.73Å; F851-L907 HydrophobicContact CG-CD2 4.39Å; F851-L907 HydrophobicContact CZ-CD1 4.04Å; F851-L911 HydrophobicContact CB-CD1 4.17Å; F851-L911 HydrophobicContact CB-CD2 4.11Å; F851-L911 HydrophobicContact CD2-CD2 4.34Å; F851-L911 HydrophobicContact CG-CD2 4.42Å
852	M	94.1	Very high	90.4	Very high	90 Å²	90	56.2 Å²	56.2	44%	0.443	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	129.7	173.4	-178.2	174	49.8	0	0	111.5	E848 Q849 V854 Q857	E848-M852 PolarHBondContact O-N 2.97Å; E848-M852 VanDerWaalsContact O-N 3.15Å; Q849-M852 VanDerWaalsContact O-CB 3.28Å; Q849-M852 WeakPolarHBondContact O-CB 3.43Å; Q849-M852 PolarHBondContact O-N 3.23Å; Q849-M852 VanDerWaalsContact O-N 3.16Å; M852-V854 PolarHBondContact O-N 2.81Å; M852-Q857 HydrophobicContact SD-CB 4.31Å
853	C	92.8	Very high	91.3	Very high	0 Å²	0	53 Å²	53	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	113.9	175.2	169.9	0	0	0	0	111.1	C855 C856 Q857 E858 A860 C873	C853-C855 PolarHBondContact O-N 3.47Å; C853-C856 PolarHBondContact O-N 3Å; C853-C856 VanDerWaalsContact O-N 3.15Å; C853-C856 VanDerWaalsContact SG-SG 3.7Å; C853-Q857 PolarHBondContact O-N 3.33Å; C853-E858 PolarHBondContact N-O 3.27Å; C853-A860 HydrophobicContact CB-CB 4.11Å; C853-C873 HydrophobicContact CB-CB 4.41Å; C853-C873 WeakPolarHBondContact CB-SG 3.47Å; C853-C873 PolarHBondContact SG-N 3.34Å; C853-C873 PolarHBondContact SG-SG 2.86Å
854	V	89.7	Confident	91.6	Very high	71 Å²	71	52.9 Å²	52.9	43%	0.43	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.8	-29.8	179.2	70.9	0	0	0	0	114.7	M852 V872 P889 A890	M852-V854 PolarHBondContact O-N 2.81Å; V854-V872 HydrophobicContact CG1-CG2 4.49Å; V854-P889 HydrophobicContact CG1-CB 4Å; V854-A890 HydrophobicContact CB-CB 4.44Å; V854-A890 HydrophobicContact CG1-CB 3.98Å
855	C	85.9	Confident	92.1	Very high	59 Å²	59	51.6 Å²	51.6	40%	0.399	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.6	-28.5	-175.5	-61.9	0	0	0	0	114.9	C853 C876 P889	C853-C855 PolarHBondContact O-N 3.47Å; C855-C876 HydrophobicContact CB-CB 3.47Å; C855-C876 VanDerWaalsContact CB-CB 3.47Å; C855-P889 WeakPolarHBondContact SG-CB 3.47Å
856	C	87.3	Confident	92.6	Very high	42 Å²	42	44.3 Å²	44.3	28%	0.284	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-118.7	-12.6	-179.4	61.3	0	0	0	0	113.6	C853 E858	C853-C856 PolarHBondContact O-N 3Å; C853-C856 VanDerWaalsContact O-N 3.15Å; C853-C856 VanDerWaalsContact SG-SG 3.7Å; C856-E858 HydrophobicContact CB-CG 4.41Å; C856-E858 PolarHBondContact O-N 3.43Å; C856-E858 PolarHBondContact SG-OE2 2.91Å; C856-E858 VanDerWaalsContact SG-OE2 3.34Å
857	Q	89.7	Confident	92.8	Very high	157 Å²	157	46.7 Å²	46.7	73%	0.734	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.4	37.3	-178.8	-56.4	-177.8	-4.3	0	0	112.6	M852 C853	M852-Q857 HydrophobicContact SD-CB 4.31Å; C853-Q857 PolarHBondContact O-N 3.33Å
858	E	90.3	Very high	92.8	Very high	92 Å²	92	48 Å²	48	43%	0.43	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	158.9	175	-55.8	165.2	147.9	0	0	108.3	C853 C856 A860 R922	C853-E858 PolarHBondContact N-O 3.27Å; C856-E858 HydrophobicContact CB-CG 4.41Å; C856-E858 PolarHBondContact O-N 3.43Å; C856-E858 PolarHBondContact SG-OE2 2.91Å; C856-E858 VanDerWaalsContact SG-OE2 3.34Å; E858-A860 PolarHBondContact O-N 3.28Å; E858-R922 IonicContact OE2-CZ 2.75Å; E858-R922 VanDerWaalsContact OE2-CZ 3.3Å; E858-R922 IonicContact OE2-NE 2.71Å; E858-R922 PolarHBondContact OE2-NE 3.43Å; E858-R922 IonicContact OE2-NH2 3.35Å; E858-R922 PolarHBondContact OE2-NH2 3.27Å
859	L	94.8	Very high	92.9	Very high	8 Å²	8	46.5 Å²	46.5	4%	0.042	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-51	132	169.1	-173.2	57.9	0	0	0	111.3	E848 F851 F861 L911 F915 Y918 R922	E848-L859 HydrophobicContact CG-CB 4.19Å; E848-L859 HydrophobicContact CG-CD1 4.27Å; E848-L859 HydrophobicContact CG-CD2 4.48Å; F851-L859 HydrophobicContact CB-CD1 3.95Å; L859-F861 PolarHBondContact O-N 3.38Å; L859-L911 HydrophobicContact CD1-CD1 3.92Å; L859-L911 HydrophobicContact CD1-CD2 3.85Å; L859-L911 HydrophobicContact CD1-CG 4.44Å; L859-L911 HydrophobicContact CD2-CB 4.46Å; L859-L911 HydrophobicContact CD2-CD2 4.3Å; L859-L911 HydrophobicContact CG-CD1 4.1Å; L859-L911 HydrophobicContact CG-CD2 4.39Å; L859-F915 HydrophobicContact CD1-CE2 4.49Å; L859-F915 HydrophobicContact CD2-CB 4.04Å; L859-F915 HydrophobicContact CD2-CD1 4.19Å; L859-F915 HydrophobicContact CD2-CD2 3.23Å; L859-F915 HydrophobicContact CD2-CE1 4.48Å; L859-F915 HydrophobicContact CD2-CE2 3.59Å; L859-F915 HydrophobicContact CD2-CG 3.55Å; L859-F915 HydrophobicContact CD2-CZ 4.21Å; L859-Y918 HydrophobicContact CB-CD2 3.95Å; L859-Y918 HydrophobicContact CB-CE2 4.03Å; L859-Y918 HydrophobicContact CD2-CD1 4.5Å; L859-Y918 HydrophobicContact CD2-CD2 3.63Å; L859-Y918 HydrophobicContact CD2-CE2 3.79Å; L859-Y918 HydrophobicContact CD2-CG 4.01Å; L859-Y918 HydrophobicContact CG-CD2 3.89Å; L859-Y918 HydrophobicContact CG-CE2 3.69Å; L859-R922 PolarHBondContact O-NH2 2.79Å
860	A	95.1	Very high	93.2	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	24%	0.24	C	C	.	.			trans	-63.9	125.5	-168.2	0	0	0	0	0	112.6	F851 C853 E858 P863 L911 Y918	F851-A860 WeakPolarHBondContact O-CB 3.42Å; F851-A860 PolarHBondContact O-N 2.91Å; C853-A860 HydrophobicContact CB-CB 4.11Å; E858-A860 PolarHBondContact O-N 3.28Å; A860-P863 HydrophobicContact CB-CB 4.04Å; A860-L911 WeakPolarHBondContact O-CD1 3.33Å; A860-Y918 PolarHBondContact O-OH 3Å
861	F	95.3	Very high	93.3	Very high	28 Å²	28	43.4 Å²	43.4	12%	0.123	24%	0.237	C	C	.	.	S	Bend	trans	-111.5	130	177.2	178.9	-115	0	0	0	110.8	L859 C873 R922	L859-F861 PolarHBondContact O-N 3.38Å; F861-C873 PolarHBondContact N-SG 2.94Å; F861-C873 WeakPolarHBondContact O-CA 3.41Å; F861-C873 WeakPolarHBondContact O-CB 3.34Å; F861-R922 HydrophobicContact CB-CB 4.42Å; F861-R922 HydrophobicContact CD1-CB 3.37Å; F861-R922 HydrophobicContact CD1-CG 4.38Å; F861-R922 HydrophobicContact CD2-CB 4.23Å; F861-R922 HydrophobicContact CE1-CB 3.51Å; F861-R922 WeakPolarHBondContact CE1-OXT 3.45Å; F861-R922 HydrophobicContact CE2-CB 4.36Å; F861-R922 HydrophobicContact CG-CB 3.75Å; F861-R922 HydrophobicContact CG-CG 4.31Å; F861-R922 HydrophobicContact CZ-CB 4Å
862	Q	95.3	Very high	93.3	Very high	65 Å²	65	43.4 Å²	43.4	30%	0.304	24%	0.237	S	C	.	.	S	Bend	trans	46.1	61.1	-163.1	-57.4	-175.4	14.1	0	0	111	I864 K874 Q903 Q908	Q862-I864 PolarHBondContact O-N 3.25Å; Q862-K874 HydrophobicContact CB-CB 3.96Å; Q862-K874 HydrophobicContact CB-CD 4.42Å; Q862-K874 VanDerWaalsContact O-CB 3.23Å; Q862-K874 WeakPolarHBondContact O-CB 3.32Å; Q862-K874 PolarHBondContact O-N 3.03Å; Q862-Q903 HydrophobicContact CB-CG 4.37Å; Q862-Q908 VanDerWaalsContact CA-OE1 3.32Å
863	P	97.1	Very high	93.5	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61	132.3	-174.7	24.3	-32.9	0	0	0	111.5	A860 Q903 N904 L907	A860-P863 HydrophobicContact CB-CB 4.04Å; P863-Q903 WeakPolarHBondContact O-CA 3.47Å; P863-N904 PolarHBondContact O-N 2.76Å; P863-L907 HydrophobicContact CB-CD2 3.71Å; P863-L907 HydrophobicContact CB-CG 4.4Å; P863-L907 HydrophobicContact CG-CB 4.08Å; P863-L907 HydrophobicContact CG-CD2 3.73Å; P863-L907 HydrophobicContact CG-CG 3.86Å
864	I	97.4	Very high	93.6	Very high	0 Å²	0	42 Å²	42	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	113.1	159.2	-49.1	-56.1	0	0	0	105.7	Q862 V872 K874 L877 Y899 M901 N902 Q903	Q862-I864 PolarHBondContact O-N 3.25Å; I864-V872 PolarHBondContact N-O 3.33Å; I864-V872 PolarHBondContact O-N 3.38Å; I864-K874 HydrophobicContact CD1-CB 3.79Å; I864-K874 HydrophobicContact CD1-CD 4.13Å; I864-K874 HydrophobicContact CD1-CG 3.89Å; I864-K874 HydrophobicContact CG1-CB 3.91Å; I864-K874 HydrophobicContact CG1-CG 4.31Å; I864-L877 HydrophobicContact CB-CD2 4Å; I864-L877 HydrophobicContact CG1-CD2 4.18Å; I864-L877 HydrophobicContact CG2-CD2 3.77Å; I864-Y899 HydrophobicContact CG2-CE1 4.31Å; I864-M901 HydrophobicContact CD1-CB 4.08Å; I864-M901 WeakPolarHBondContact CD1-O 3.4Å; I864-M901 HydrophobicContact CG1-CB 4.3Å; I864-N902 WeakPolarHBondContact CD1-O 3.3Å; I864-Q903 HydrophobicContact CD1-CB 4.36Å
865	T	96.5	Very high	93.8	Very high	19 Å²	19	42.3 Å²	42.3	12%	0.117	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	118.7	164	-47.9	0	0	0	0	106.9	A825 N826 N871 N904	A825-T865 HydrophobicContact CB-CG2 3.9Å; N826-T865 PolarHBondContact ND2-OG1 3.42Å; N826-T865 WeakPolarHBondContact OD1-CG2 3.49Å; T865-N871 WeakPolarHBondContact CB-OD1 3.33Å; T865-N871 PolarHBondContact OG1-OD1 3.2Å; T865-N904 WeakPolarHBondContact OG1-CB 3.48Å; T865-N904 PolarHBondContact OG1-ND2 3.41Å
866	T	94.5	Very high	94.3	Very high	5 Å²	5	40.6 Å²	40.6	3%	0.031	22%	0.219	C	C	.	.			trans	-75.8	163.1	179.3	57.5	0	0	0	0	111.6	C868 S869 H870 L895 Y899	T866-C868 PolarHBondContact O-N 3.29Å; T866-C868 VanDerWaalsContact O-N 3.08Å; T866-C868 PolarHBondContact OG1-SG 2.71Å; T866-S869 WeakPolarHBondContact O-CA 3.31Å; T866-S869 PolarHBondContact O-N 3.49Å; T866-H870 PolarHBondContact N-O 3.15Å; T866-H870 PolarHBondContact OG1-N 3.2Å; T866-H870 VanDerWaalsContact OG1-N 3.1Å; T866-H870 PolarHBondContact OG1-O 3.49Å; T866-L895 HydrophobicContact CG2-CD1 4.04Å; T866-L895 HydrophobicContact CG2-CD2 4.31Å; T866-Y899 WeakPolarHBondContact CA-OH 3.24Å
867	V	91.7	Very high	94.6	Very high	102 Å²	102	38.6 Å²	38.6	62%	0.618	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-17.5	171.5	-69.8	0	0	0	0	114	L895 Y899	V867-L895 HydrophobicContact CG2-CD2 3.76Å; V867-Y899 HydrophobicContact CG1-CE2 3.93Å; V867-Y899 HydrophobicContact CG2-CE2 4.07Å; V867-Y899 PolarHBondContact N-OH 2.9Å
868	C	92.8	Very high	94.8	Very high	28 Å²	28	34.2 Å²	34.2	19%	0.189	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.7	23	170.5	43.9	0	0	0	0	112.9	T866 H870 H893	T866-C868 PolarHBondContact O-N 3.29Å; T866-C868 VanDerWaalsContact O-N 3.08Å; T866-C868 PolarHBondContact OG1-SG 2.71Å; C868-H870 VanDerWaalsContact C-N 3.3Å; C868-H870 PolarHBondContact O-CE1 3.5Å; C868-H870 PolarHBondContact O-N 3.32Å; C868-H870 PolarHBondContact O-ND1 3.2Å; C868-H893 HydrophobicContact CB-CB 4.1Å
869	S	92.3	Very high	94.9	Very high	62 Å²	62	38.7 Å²	38.7	43%	0.434	20%	0.198	S	C	.	.	S	Bend	trans	53.8	31	176.6	-66.3	0	0	0	0	116.6	A825 T866	A825-S869 PolarHBondContact O-OG 3.27Å; T866-S869 WeakPolarHBondContact O-CA 3.31Å; T866-S869 PolarHBondContact O-N 3.49Å
870	H	94.7	Very high	94.7	Very high	72 Å²	72	39.3 Å²	39.3	33%	0.333	20%	0.203	S	C	.	.			trans	-104.7	138	173.1	-69.6	75.6	0	0	0	111	T866 C868 A890	T866-H870 PolarHBondContact N-O 3.15Å; T866-H870 PolarHBondContact OG1-N 3.2Å; T866-H870 VanDerWaalsContact OG1-N 3.1Å; T866-H870 PolarHBondContact OG1-O 3.49Å; C868-H870 VanDerWaalsContact C-N 3.3Å; C868-H870 PolarHBondContact O-CE1 3.5Å; C868-H870 PolarHBondContact O-N 3.32Å; C868-H870 PolarHBondContact O-ND1 3.2Å; H870-A890 HydrophobicContact CB-CB 3.98Å; H870-A890 WeakPolarHBondContact CD2-CB 3.36Å
871	N	96.9	Very high	94.6	Very high	12 Å²	12	40.6 Å²	40.6	6%	0.064	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	122.9	-179.9	-67.4	-68.3	0	0	0	111.7	N826 L829 T865 L907	N826-N871 PolarHBondContact ND2-OD1 2.71Å; N826-N871 PolarHBondContact OD1-ND2 2.96Å; N826-N871 PolarHBondContact OD1-OD1 3.23Å; L829-N871 WeakPolarHBondContact CD1-ND2 3.06Å; T865-N871 WeakPolarHBondContact CB-OD1 3.33Å; T865-N871 PolarHBondContact OG1-OD1 3.2Å; N871-L907 HydrophobicContact CB-CD2 4.2Å; N871-L907 VanDerWaalsContact OD1-CD2 3.32Å; N871-L907 WeakPolarHBondContact OD1-CD2 3.32Å
872	V	95.9	Very high	94.4	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	134.1	-178.5	-174.8	0	0	0	0	109.8	V854 I864 K874 C876 L877 P889	V854-V872 HydrophobicContact CG1-CG2 4.49Å; I864-V872 PolarHBondContact N-O 3.33Å; I864-V872 PolarHBondContact O-N 3.38Å; V872-K874 PolarHBondContact O-N 2.94Å; V872-C876 HydrophobicContact CG1-CB 4.1Å; V872-L877 HydrophobicContact CG1-CB 4.08Å; V872-P889 HydrophobicContact CG1-CG 4.42Å
873	C	97.1	Very high	94.1	Very high	3 Å²	3	49.4 Å²	49.4	2%	0.02	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-53.4	131.7	173.9	-61.9	0	0	0	0	110.7	C853 F861 T875 C876 L877	C853-C873 HydrophobicContact CB-CB 4.41Å; C853-C873 WeakPolarHBondContact CB-SG 3.47Å; C853-C873 PolarHBondContact SG-N 3.34Å; C853-C873 PolarHBondContact SG-SG 2.86Å; F861-C873 PolarHBondContact N-SG 2.94Å; F861-C873 WeakPolarHBondContact O-CA 3.41Å; F861-C873 WeakPolarHBondContact O-CB 3.34Å; C873-T875 VanDerWaalsContact C-N 3.26Å; C873-T875 PolarHBondContact O-N 2.93Å; C873-C876 HydrophobicContact CB-CB 4.05Å; C873-C876 WeakPolarHBondContact O-CA 3.43Å; C873-C876 WeakPolarHBondContact O-CB 3.06Å; C873-C876 PolarHBondContact O-N 2.76Å; C873-L877 PolarHBondContact O-N 3.07Å
874	K	95.4	Very high	93.8	Very high	56 Å²	56	52.4 Å²	52.4	24%	0.243	28%	0.278	C	S	.	.	H	α-helix	trans	-51.2	-42.7	179.8	-178	172.6	-170.8	177.3	0	113.7	Q862 I864 V872 C876 L877 Q878	Q862-K874 HydrophobicContact CB-CB 3.96Å; Q862-K874 HydrophobicContact CB-CD 4.42Å; Q862-K874 VanDerWaalsContact O-CB 3.23Å; Q862-K874 WeakPolarHBondContact O-CB 3.32Å; Q862-K874 PolarHBondContact O-N 3.03Å; I864-K874 HydrophobicContact CD1-CB 3.79Å; I864-K874 HydrophobicContact CD1-CD 4.13Å; I864-K874 HydrophobicContact CD1-CG 3.89Å; I864-K874 HydrophobicContact CG1-CB 3.91Å; I864-K874 HydrophobicContact CG1-CG 4.31Å; V872-K874 PolarHBondContact O-N 2.94Å; K874-C876 VanDerWaalsContact C-N 3.3Å; K874-C876 PolarHBondContact O-N 2.71Å; K874-L877 PolarHBondContact O-N 3.44Å; K874-Q878 VanDerWaalsContact O-CB 3.3Å; K874-Q878 WeakPolarHBondContact O-CB 3.39Å; K874-Q878 WeakPolarHBondContact O-CG 3.28Å; K874-Q878 PolarHBondContact O-N 2.83Å
875	T	94.8	Very high	93.5	Very high	78 Å²	78	55.7 Å²	55.7	48%	0.479	30%	0.298	S	S	.	.	H	α-helix	trans	-62.6	-35.4	176.4	50.9	0	0	0	0	112.5	C873 R879	C873-T875 VanDerWaalsContact C-N 3.26Å; C873-T875 PolarHBondContact O-N 2.93Å; T875-R879 WeakPolarHBondContact O-CB 3.45Å; T875-R879 PolarHBondContact O-N 3.44Å; T875-R879 VanDerWaalsContact O-N 3.08Å
876	C	94.9	Very high	93.4	Very high	24 Å²	24	57.9 Å²	57.9	16%	0.162	31%	0.305	C	S	.	.	H	α-helix	trans	-75.1	-44.4	178.6	-68.4	0	0	0	0	112	C855 V872 C873 K874 R879 S880	C855-C876 HydrophobicContact CB-CB 3.47Å; C855-C876 VanDerWaalsContact CB-CB 3.47Å; V872-C876 HydrophobicContact CG1-CB 4.1Å; C873-C876 HydrophobicContact CB-CB 4.05Å; C873-C876 WeakPolarHBondContact O-CA 3.43Å; C873-C876 WeakPolarHBondContact O-CB 3.06Å; C873-C876 PolarHBondContact O-N 2.76Å; K874-C876 VanDerWaalsContact C-N 3.3Å; K874-C876 PolarHBondContact O-N 2.71Å; C876-R879 WeakPolarHBondContact O-CB 3.19Å; C876-R879 PolarHBondContact O-N 2.57Å; C876-R879 VanDerWaalsContact O-N 3.12Å; C876-S880 PolarHBondContact O-N 2.9Å; C876-S880 VanDerWaalsContact O-N 3.08Å
877	L	94.6	Very high	93.3	Very high	0 Å²	0	59.8 Å²	59.8	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-65.7	-40.4	176.4	-168.8	64.1	0	0	0	111.3	I864 V872 C873 K874 R879 S880 F881 P889 L895 Y899 M901	I864-L877 HydrophobicContact CB-CD2 4Å; I864-L877 HydrophobicContact CG1-CD2 4.18Å; I864-L877 HydrophobicContact CG2-CD2 3.77Å; V872-L877 HydrophobicContact CG1-CB 4.08Å; C873-L877 PolarHBondContact O-N 3.07Å; K874-L877 PolarHBondContact O-N 3.44Å; L877-R879 VanDerWaalsContact C-N 3.28Å; L877-R879 PolarHBondContact O-N 3.04Å; L877-S880 WeakPolarHBondContact O-CB 3.3Å; L877-S880 PolarHBondContact O-N 3.44Å; L877-F881 HydrophobicContact CD1-CD1 4.47Å; L877-F881 HydrophobicContact CD1-CE1 4.19Å; L877-F881 HydrophobicContact CG-CE1 4.42Å; L877-F881 PolarHBondContact O-N 3.2Å; L877-P889 HydrophobicContact CD1-CG 4Å; L877-L895 HydrophobicContact CD1-CD1 4.03Å; L877-Y899 HydrophobicContact CD2-CE1 4.46Å; L877-M901 HydrophobicContact CB-CE 4.48Å; L877-M901 HydrophobicContact CB-SD 4.15Å; L877-M901 HydrophobicContact CD2-CE 4.24Å; L877-M901 HydrophobicContact CD2-CG 3.98Å; L877-M901 HydrophobicContact CD2-SD 4.01Å; L877-M901 HydrophobicContact CG-CE 3.84Å; L877-M901 HydrophobicContact CG-SD 3.94Å
878	Q	94.3	Very high	93.3	Very high	64 Å²	64	55 Å²	55	30%	0.299	29%	0.287	S	S	.	.	H	α-helix	trans	-59.4	-36	170.3	-75.5	-179.4	0.1	0	0	112.7	K874 F881 R882 M901	K874-Q878 VanDerWaalsContact O-CB 3.3Å; K874-Q878 WeakPolarHBondContact O-CB 3.39Å; K874-Q878 WeakPolarHBondContact O-CG 3.28Å; K874-Q878 PolarHBondContact O-N 2.83Å; Q878-F881 PolarHBondContact O-N 3Å; Q878-R882 WeakPolarHBondContact O-CB 3.47Å; Q878-R882 VanDerWaalsContact O-CG 3.24Å; Q878-R882 WeakPolarHBondContact O-CG 3.19Å; Q878-R882 PolarHBondContact O-N 3.12Å; Q878-M901 HydrophobicContact CB-SD 4.41Å; Q878-M901 HydrophobicContact CG-SD 3.55Å; Q878-M901 VanDerWaalsContact CG-SD 3.55Å
879	R	91.9	Very high	93.2	Very high	186 Å²	186	55.5 Å²	55.5	70%	0.702	29%	0.291	S	S	*	.	H	α-helix	trans	-66.8	-37.8	176.3	-166.4	177.3	-170.6	157.1	3.9	111.9	T875 C876 L877 A883	T875-R879 WeakPolarHBondContact O-CB 3.45Å; T875-R879 PolarHBondContact O-N 3.44Å; T875-R879 VanDerWaalsContact O-N 3.08Å; C876-R879 WeakPolarHBondContact O-CB 3.19Å; C876-R879 PolarHBondContact O-N 2.57Å; C876-R879 VanDerWaalsContact O-N 3.12Å; L877-R879 VanDerWaalsContact C-N 3.28Å; L877-R879 PolarHBondContact O-N 3.04Å; R879-A883 PolarHBondContact O-N 3.33Å
880	S	90.4	Very high	92.9	Very high	22 Å²	22	54.6 Å²	54.6	15%	0.154	29%	0.286	C	S	.	.	H	α-helix	trans	-60.5	-51	172.3	-166.4	0	0	0	0	111.4	C876 L877 R882 A883 A884 V885	C876-S880 PolarHBondContact O-N 2.9Å; C876-S880 VanDerWaalsContact O-N 3.08Å; L877-S880 WeakPolarHBondContact O-CB 3.3Å; L877-S880 PolarHBondContact O-N 3.44Å; S880-R882 VanDerWaalsContact C-N 3.35Å; S880-R882 PolarHBondContact O-N 2.95Å; S880-A883 CarbonylContact O-C 3.59Å; S880-A883 WeakPolarHBondContact O-CA 3.33Å; S880-A883 WeakPolarHBondContact O-CB 3.31Å; S880-A883 PolarHBondContact O-N 2.85Å; S880-A884 PolarHBondContact O-N 2.91Å; S880-V885 CarbonylContact C-O 3.48Å; S880-V885 PolarHBondContact O-N 3Å; S880-V885 WeakPolarHBondContact OG-CB 3.42Å; S880-V885 WeakPolarHBondContact OG-CG1 3.4Å; S880-V885 PolarHBondContact OG-O 3.47Å
881	F	92.3	Very high	92.7	Very high	27 Å²	27	53.8 Å²	53.8	12%	0.118	29%	0.289	C	S	.	.	H	α-helix	trans	-65.1	-35.8	-179.3	-85.3	50.2	0	0	0	112.7	L877 Q878 A883 A884 V885 Y886 L895 G896 Y899 M901	L877-F881 HydrophobicContact CD1-CD1 4.47Å; L877-F881 HydrophobicContact CD1-CE1 4.19Å; L877-F881 HydrophobicContact CG-CE1 4.42Å; L877-F881 PolarHBondContact O-N 3.2Å; Q878-F881 PolarHBondContact O-N 3Å; F881-A883 PolarHBondContact O-N 2.91Å; F881-A884 WeakPolarHBondContact O-CA 3.25Å; F881-A884 PolarHBondContact O-N 3.11Å; F881-V885 PolarHBondContact N-O 3.5Å; F881-Y886 HydrophobicContact CB-CD1 4.48Å; F881-Y886 HydrophobicContact CD1-CD1 4.39Å; F881-Y886 AromaticContact CD2-CD1 3.58Å; F881-Y886 HydrophobicContact CD2-CD1 3.58Å; F881-Y886 HydrophobicContact CD2-CE1 4.02Å; F881-Y886 AromaticContact CE2-CD1 3.75Å; F881-Y886 HydrophobicContact CE2-CD1 3.75Å; F881-Y886 AromaticContact CG-CD1 3.91Å; F881-Y886 HydrophobicContact CG-CD1 3.91Å; F881-Y886 HydrophobicContact CG-CE1 4.35Å; F881-Y886 HydrophobicContact CZ-CD1 4.22Å; F881-L895 HydrophobicContact CE1-CD1 4.23Å; F881-L895 HydrophobicContact CZ-CB 4.07Å; F881-L895 HydrophobicContact CZ-CD1 4.41Å; F881-G896 VanDerWaalsContact CE2-O 3.29Å; F881-G896 WeakPolarHBondContact CE2-O 3.45Å; F881-G896 WeakPolarHBondContact CZ-O 3.38Å; F881-Y899 HydrophobicContact CZ-CG 4.35Å; F881-M901 HydrophobicContact CB-CE 3.79Å; F881-M901 HydrophobicContact CD1-CE 3.44Å; F881-M901 VanDerWaalsContact CD1-CE 3.44Å; F881-M901 HydrophobicContact CD2-CE 3.37Å; F881-M901 HydrophobicContact CE1-CE 3.82Å; F881-M901 HydrophobicContact CE2-CE 3.75Å; F881-M901 HydrophobicContact CG-CE 3.22Å; F881-M901 HydrophobicContact CZ-CE 3.97Å
882	R	91.4	Very high	92.4	Very high	207 Å²	207	63.1 Å²	63.1	78%	0.781	32%	0.323	S	S	*	.	H	α-helix	trans	-65	-23.4	171.8	-74.2	174.6	-169	-180	7	113.4	Q878 S880 A884	Q878-R882 WeakPolarHBondContact O-CB 3.47Å; Q878-R882 VanDerWaalsContact O-CG 3.24Å; Q878-R882 WeakPolarHBondContact O-CG 3.19Å; Q878-R882 PolarHBondContact O-N 3.12Å; S880-R882 VanDerWaalsContact C-N 3.35Å; S880-R882 PolarHBondContact O-N 2.95Å; R882-A884 VanDerWaalsContact C-N 3.26Å
883	A	88.5	Confident	92.1	Very high	70 Å²	70	67.9 Å²	67.9	58%	0.579	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.4	11.3	171.5	0	0	0	0	0	113	R879 S880 F881 V885	R879-A883 PolarHBondContact O-N 3.33Å; S880-A883 CarbonylContact O-C 3.59Å; S880-A883 WeakPolarHBondContact O-CA 3.33Å; S880-A883 WeakPolarHBondContact O-CB 3.31Å; S880-A883 PolarHBondContact O-N 2.85Å; F881-A883 PolarHBondContact O-N 2.91Å; A883-V885 HydrophobicContact CB-CG2 4.47Å; A883-V885 PolarHBondContact O-N 3.15Å
884	A	90.6	Very high	91.9	Very high	63 Å²	63	72.7 Å²	72.7	52%	0.521	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.6	25	-172.5	0	0	0	0	0	114.6	S880 F881 R882 Y886	S880-A884 PolarHBondContact O-N 2.91Å; F881-A884 WeakPolarHBondContact O-CA 3.25Å; F881-A884 PolarHBondContact O-N 3.11Å; R882-A884 VanDerWaalsContact C-N 3.26Å; A884-Y886 HydrophobicContact CB-CE2 3.91Å; A884-Y886 VanDerWaalsContact O-CD2 3.25Å; A884-Y886 WeakPolarHBondContact O-CD2 3.24Å; A884-Y886 VanDerWaalsContact O-CE2 3.24Å; A884-Y886 WeakPolarHBondContact O-CE2 3.25Å
885	V	91.1	Very high	91.8	Very high	69 Å²	69	70.9 Å²	70.9	42%	0.418	36%	0.363	S	S	.	.			trans	-101.7	98	173.5	-178.7	0	0	0	0	108.6	S880 F881 A883	S880-V885 CarbonylContact C-O 3.48Å; S880-V885 PolarHBondContact O-N 3Å; S880-V885 WeakPolarHBondContact OG-CB 3.42Å; S880-V885 WeakPolarHBondContact OG-CG1 3.4Å; S880-V885 PolarHBondContact OG-O 3.47Å; F881-V885 PolarHBondContact N-O 3.5Å; A883-V885 HydrophobicContact CB-CG2 4.47Å; A883-V885 PolarHBondContact O-N 3.15Å
886	Y	94.4	Very high	91.7	Very high	66 Å²	66	68.4 Å²	68.4	26%	0.259	35%	0.354	S	S	.	.			trans	-92.2	8.5	-173	-54.9	-74.1	0	0	0	114	F881 A884 L895 K897	F881-Y886 HydrophobicContact CB-CD1 4.48Å; F881-Y886 HydrophobicContact CD1-CD1 4.39Å; F881-Y886 AromaticContact CD2-CD1 3.58Å; F881-Y886 HydrophobicContact CD2-CD1 3.58Å; F881-Y886 HydrophobicContact CD2-CE1 4.02Å; F881-Y886 AromaticContact CE2-CD1 3.75Å; F881-Y886 HydrophobicContact CE2-CD1 3.75Å; F881-Y886 AromaticContact CG-CD1 3.91Å; F881-Y886 HydrophobicContact CG-CD1 3.91Å; F881-Y886 HydrophobicContact CG-CE1 4.35Å; F881-Y886 HydrophobicContact CZ-CD1 4.22Å; A884-Y886 HydrophobicContact CB-CE2 3.91Å; A884-Y886 VanDerWaalsContact O-CD2 3.25Å; A884-Y886 WeakPolarHBondContact O-CD2 3.24Å; A884-Y886 VanDerWaalsContact O-CE2 3.24Å; A884-Y886 WeakPolarHBondContact O-CE2 3.25Å; Y886-L895 VanDerWaalsContact O-CB 3.25Å; Y886-L895 WeakPolarHBondContact O-CB 3.28Å; Y886-L895 PolarHBondContact O-N 3.44Å; Y886-K897 HydrophobicContact CD1-CB 4.2Å; Y886-K897 HydrophobicContact CD1-CG 4.02Å; Y886-K897 HydrophobicContact CD2-CG 3.83Å; Y886-K897 HydrophobicContact CE1-CB 4.12Å; Y886-K897 HydrophobicContact CE1-CG 3.99Å; Y886-K897 HydrophobicContact CE2-CD 4.11Å; Y886-K897 HydrophobicContact CE2-CG 3.8Å; Y886-K897 HydrophobicContact CG-CG 3.93Å
887	T	93.4	Very high	91.4	Very high	45 Å²	45	74.1 Å²	74.1	28%	0.276	38%	0.376	S	S	.	.	B	Isolated β-bridge	trans	-91.1	158.4	177.4	52.3	0	0	0	0	111.9	P889 R892 H893 D894	T887-P889 WeakPolarHBondContact O-CD 3.42Å; T887-R892 WeakPolarHBondContact CB-O 3.35Å; T887-R892 VanDerWaalsContact CG2-O 3.3Å; T887-R892 WeakPolarHBondContact CG2-O 3.13Å; T887-H893 CarbonylContact C-O 3.6Å; T887-H893 WeakPolarHBondContact CA-O 3.47Å; T887-D894 HydrophobicContact CG2-CB 4.41Å
888	C	92.2	Very high	91.1	Very high	0 Å²	0	81.3 Å²	81.3	0%	0	41%	0.414	C	S	.	.			trans	-63.2	123.4	171.2	179.8	0	0	0	0	110.2	A890 R892 H893 L895	C888-A890 PolarHBondContact O-N 3Å; C888-A890 VanDerWaalsContact O-N 3.09Å; C888-R892 WeakPolarHBondContact O-CA 3.41Å; C888-R892 PolarHBondContact O-N 3.46Å; C888-H893 HydrophobicContact CB-CB 4.45Å; C888-H893 PolarHBondContact N-O 3.07Å; C888-L895 HydrophobicContact CB-CD1 4.18Å; C888-L895 HydrophobicContact CB-CD2 4.34Å; C888-L895 HydrophobicContact CB-CG 4.29Å
889	P	89.7	Confident	91.1	Very high	40 Å²	40	80.4 Å²	80.4	26%	0.26	41%	0.408	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-17.4	-178.2	-28.6	37.5	0	0	0	116	V854 C855 V872 L877 T887	V854-P889 HydrophobicContact CG1-CB 4Å; C855-P889 WeakPolarHBondContact SG-CB 3.47Å; V872-P889 HydrophobicContact CG1-CG 4.42Å; L877-P889 HydrophobicContact CD1-CG 4Å; T887-P889 WeakPolarHBondContact O-CD 3.42Å
890	A	86.4	Confident	91.1	Very high	42 Å²	42	76.3 Å²	76.3	35%	0.347	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87	-62.1	178.7	0	0	0	0	0	112.1	V854 H870 C888	V854-A890 HydrophobicContact CB-CB 4.44Å; V854-A890 HydrophobicContact CG1-CB 3.98Å; H870-A890 HydrophobicContact CB-CB 3.98Å; H870-A890 WeakPolarHBondContact CD2-CB 3.36Å; C888-A890 PolarHBondContact O-N 3Å; C888-A890 VanDerWaalsContact O-N 3.09Å
891	C	90.3	Very high	91.2	Very high	56 Å²	56	76.7 Å²	76.7	38%	0.378	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.9	1.5	-172.7	61.1	0	0	0	0	114.9	H893	C891-H893 PolarHBondContact O-N 3.3Å
892	R	90.5	Very high	91.2	Very high	207 Å²	207	81 Å²	81	78%	0.781	43%	0.427	S	S	*	.			trans	60.6	6	-178	-53.4	-178.8	-176.7	169.4	3.1	116.5	T887 C888 D894	T887-R892 WeakPolarHBondContact CB-O 3.35Å; T887-R892 VanDerWaalsContact CG2-O 3.3Å; T887-R892 WeakPolarHBondContact CG2-O 3.13Å; C888-R892 WeakPolarHBondContact O-CA 3.41Å; C888-R892 PolarHBondContact O-N 3.46Å; R892-D894 PolarHBondContact O-N 3.38Å
893	H	89.6	Confident	91.4	Very high	100 Å²	100	74 Å²	74	46%	0.463	40%	0.404	S	S	.	.			trans	-52.1	134.1	169.8	-175.9	92.6	0	0	0	110.8	C868 T887 C888 C891	C868-H893 HydrophobicContact CB-CB 4.1Å; T887-H893 CarbonylContact C-O 3.6Å; T887-H893 WeakPolarHBondContact CA-O 3.47Å; C888-H893 HydrophobicContact CB-CB 4.45Å; C888-H893 PolarHBondContact N-O 3.07Å; C891-H893 PolarHBondContact O-N 3.3Å
894	D	93.6	Very high	91.8	Very high	105 Å²	105	71.6 Å²	71.6	56%	0.561	38%	0.381	S	S	*	.	B	Isolated β-bridge	trans	-70.8	131.9	179.6	-165.7	4.7	0	0	0	110.7	T887 R892 G896	T887-D894 HydrophobicContact CG2-CB 4.41Å; R892-D894 PolarHBondContact O-N 3.38Å; D894-G896 PolarHBondContact OD1-N 2.97Å
895	L	93	Very high	92	Very high	17 Å²	17	75.8 Å²	75.8	9%	0.089	39%	0.388	C	S	.	.			trans	-102.5	-13	176.3	-55.7	172.9	0	0	0	111.2	T866 V867 L877 F881 Y886 C888 Y899	T866-L895 HydrophobicContact CG2-CD1 4.04Å; T866-L895 HydrophobicContact CG2-CD2 4.31Å; V867-L895 HydrophobicContact CG2-CD2 3.76Å; L877-L895 HydrophobicContact CD1-CD1 4.03Å; F881-L895 HydrophobicContact CE1-CD1 4.23Å; F881-L895 HydrophobicContact CZ-CB 4.07Å; F881-L895 HydrophobicContact CZ-CD1 4.41Å; Y886-L895 VanDerWaalsContact O-CB 3.25Å; Y886-L895 WeakPolarHBondContact O-CB 3.28Å; Y886-L895 PolarHBondContact O-N 3.44Å; C888-L895 HydrophobicContact CB-CD1 4.18Å; C888-L895 HydrophobicContact CB-CD2 4.34Å; C888-L895 HydrophobicContact CB-CG 4.29Å; L895-Y899 HydrophobicContact CB-CD1 4.43Å; L895-Y899 HydrophobicContact CB-CD2 3.67Å; L895-Y899 HydrophobicContact CB-CE2 4.21Å; L895-Y899 HydrophobicContact CB-CG 3.78Å; L895-Y899 HydrophobicContact CD1-CD1 4.47Å; L895-Y899 HydrophobicContact CD2-CD2 4.34Å; L895-Y899 HydrophobicContact CD2-CE2 4.01Å; L895-Y899 HydrophobicContact CG-CD2 4.49Å; L895-Y899 WeakPolarHBondContact O-CB 3.28Å; L895-Y899 WeakPolarHBondContact O-CD2 3.37Å
896	G	92	Very high	92.2	Very high	27 Å²	27	76.1 Å²	76.1	28%	0.278	38%	0.383	S	S	.	.			trans	78.1	161.8	-175.1	0	0	0	0	0	113.6	F881 D894 D898	F881-G896 VanDerWaalsContact CE2-O 3.29Å; F881-G896 WeakPolarHBondContact CE2-O 3.45Å; F881-G896 WeakPolarHBondContact CZ-O 3.38Å; D894-G896 PolarHBondContact OD1-N 2.97Å; G896-D898 VanDerWaalsContact C-N 3.33Å; G896-D898 PolarHBondContact O-N 2.99Å
897	K	88.4	Confident	92.2	Very high	143 Å²	143	73 Å²	73	62%	0.622	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-35.1	-175	-63.8	-171.5	178.3	174.6	0	113.3	Y886 Y899	Y886-K897 HydrophobicContact CD1-CB 4.2Å; Y886-K897 HydrophobicContact CD1-CG 4.02Å; Y886-K897 HydrophobicContact CD2-CG 3.83Å; Y886-K897 HydrophobicContact CE1-CB 4.12Å; Y886-K897 HydrophobicContact CE1-CG 3.99Å; Y886-K897 HydrophobicContact CE2-CD 4.11Å; Y886-K897 HydrophobicContact CE2-CG 3.8Å; Y886-K897 HydrophobicContact CG-CG 3.93Å; K897-Y899 VanDerWaalsContact C-N 3.32Å; K897-Y899 PolarHBondContact O-N 3.02Å
898	D	89.3	Confident	92.3	Very high	152 Å²	152	71.5 Å²	71.5	81%	0.813	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.1	18.3	-172	-50.2	-75.2	0	0	0	112.4	G896 V900	G896-D898 VanDerWaalsContact C-N 3.33Å; G896-D898 PolarHBondContact O-N 2.99Å; D898-V900 PolarHBondContact O-N 2.82Å
899	Y	93.5	Very high	92.5	Very high	45 Å²	45	75.3 Å²	75.3	18%	0.176	38%	0.381	C	S	.	.			trans	-59	122	-178	-170.2	-98.7	0	0	0	113	I864 T866 V867 L877 F881 L895 K897 M901	I864-Y899 HydrophobicContact CG2-CE1 4.31Å; T866-Y899 WeakPolarHBondContact CA-OH 3.24Å; V867-Y899 HydrophobicContact CG1-CE2 3.93Å; V867-Y899 HydrophobicContact CG2-CE2 4.07Å; V867-Y899 PolarHBondContact N-OH 2.9Å; L877-Y899 HydrophobicContact CD2-CE1 4.46Å; F881-Y899 HydrophobicContact CZ-CG 4.35Å; L895-Y899 HydrophobicContact CB-CD1 4.43Å; L895-Y899 HydrophobicContact CB-CD2 3.67Å; L895-Y899 HydrophobicContact CB-CE2 4.21Å; L895-Y899 HydrophobicContact CB-CG 3.78Å; L895-Y899 HydrophobicContact CD1-CD1 4.47Å; L895-Y899 HydrophobicContact CD2-CD2 4.34Å; L895-Y899 HydrophobicContact CD2-CE2 4.01Å; L895-Y899 HydrophobicContact CG-CD2 4.49Å; L895-Y899 WeakPolarHBondContact O-CB 3.28Å; L895-Y899 WeakPolarHBondContact O-CD2 3.37Å; K897-Y899 VanDerWaalsContact C-N 3.32Å; K897-Y899 PolarHBondContact O-N 3.02Å; Y899-M901 HydrophobicContact CD1-CG 4.08Å; Y899-M901 PolarHBondContact O-N 3.44Å
900	V	91.6	Very high	92.7	Very high	99 Å²	99	73.4 Å²	73.4	60%	0.6	37%	0.368	S	S	*	.			trans	-81.4	103.3	-179.3	-171.5	0	0	0	0	110.2	D898 N902	D898-V900 PolarHBondContact O-N 2.82Å; V900-N902 PolarHBondContact O-N 2.64Å
901	M	92.5	Very high	93.1	Very high	31 Å²	31	71.4 Å²	71.4	15%	0.153	35%	0.352	C	S	.	.			trans	-73.4	69.9	179.5	-59.3	-174.7	-169.5	0	0	112.8	I864 L877 Q878 F881 Y899	I864-M901 HydrophobicContact CD1-CB 4.08Å; I864-M901 WeakPolarHBondContact CD1-O 3.4Å; I864-M901 HydrophobicContact CG1-CB 4.3Å; L877-M901 HydrophobicContact CB-CE 4.48Å; L877-M901 HydrophobicContact CB-SD 4.15Å; L877-M901 HydrophobicContact CD2-CE 4.24Å; L877-M901 HydrophobicContact CD2-CG 3.98Å; L877-M901 HydrophobicContact CD2-SD 4.01Å; L877-M901 HydrophobicContact CG-CE 3.84Å; L877-M901 HydrophobicContact CG-SD 3.94Å; Q878-M901 HydrophobicContact CB-SD 4.41Å; Q878-M901 HydrophobicContact CG-SD 3.55Å; Q878-M901 VanDerWaalsContact CG-SD 3.55Å; F881-M901 HydrophobicContact CB-CE 3.79Å; F881-M901 HydrophobicContact CD1-CE 3.44Å; F881-M901 VanDerWaalsContact CD1-CE 3.44Å; F881-M901 HydrophobicContact CD2-CE 3.37Å; F881-M901 HydrophobicContact CE1-CE 3.82Å; F881-M901 HydrophobicContact CE2-CE 3.75Å; F881-M901 HydrophobicContact CG-CE 3.22Å; F881-M901 HydrophobicContact CZ-CE 3.97Å; Y899-M901 HydrophobicContact CD1-CG 4.08Å; Y899-M901 PolarHBondContact O-N 3.44Å
902	N	92.8	Very high	93.3	Very high	116 Å²	116	71.3 Å²	71.3	62%	0.62	35%	0.347	S	S	*	.			trans	-71.5	127.3	174.4	-71.7	-39.8	0	0	0	110.9	I864 V900	I864-N902 WeakPolarHBondContact CD1-O 3.3Å; V900-N902 PolarHBondContact O-N 2.64Å
903	Q	95.8	Very high	93.4	Very high	61 Å²	61	64.1 Å²	64.1	29%	0.285	32%	0.323	S	S	.	.			trans	-77.5	129	178.3	179.7	-176.8	-11.2	0	0	110.5	Q862 P863 I864 K905	Q862-Q903 HydrophobicContact CB-CG 4.37Å; P863-Q903 WeakPolarHBondContact O-CA 3.47Å; I864-Q903 HydrophobicContact CD1-CB 4.36Å; Q903-K905 PolarHBondContact O-N 3.28Å
904	N	96.3	Very high	93.5	Very high	19 Å²	19	59.9 Å²	59.9	10%	0.102	30%	0.303	C	S	.	.			trans	-73	97.2	168	-169.9	-21.5	0	0	0	109.5	D823 N826 P863 T865 K906 L907 Q908	D823-N904 PolarHBondContact OD1-ND2 3.09Å; D823-N904 PolarHBondContact OD2-ND2 2.98Å; N826-N904 PolarHBondContact ND2-ND2 3.31Å; N826-N904 VanDerWaalsContact ND2-ND2 3.11Å; P863-N904 PolarHBondContact O-N 2.76Å; T865-N904 WeakPolarHBondContact OG1-CB 3.48Å; T865-N904 PolarHBondContact OG1-ND2 3.41Å; N904-K906 VanDerWaalsContact C-N 3.34Å; N904-K906 PolarHBondContact OD1-N 2.9Å; N904-K906 VanDerWaalsContact OD1-N 3.09Å; N904-L907 HydrophobicContact CB-CB 4.21Å; N904-L907 PolarHBondContact OD1-N 2.73Å; N904-Q908 PolarHBondContact O-N 3.08Å
905	K	95.1	Very high	93.5	Very high	152 Å²	152	56.6 Å²	56.6	66%	0.661	28%	0.284	S	S	*	.	H	α-helix	trans	-71.1	-29.1	178.4	-64.6	-177.4	-178.3	178.3	0	112.7	Q903 Q908 I909	Q903-K905 PolarHBondContact O-N 3.28Å; K905-Q908 PolarHBondContact O-N 3.12Å; K905-I909 WeakPolarHBondContact O-CD1 3.27Å; K905-I909 VanDerWaalsContact O-CG1 3.27Å; K905-I909 WeakPolarHBondContact O-CG1 3.42Å; K905-I909 PolarHBondContact O-N 3.03Å
906	K	94.7	Very high	93.3	Very high	75 Å²	75	61.1 Å²	61.1	33%	0.326	31%	0.314	S	S	.	.	H	α-helix	trans	-68.8	-51.6	-178.4	-68.3	173.4	163.2	-173.7	0	109.8	D822 D823 N904 Q908 I909 L910	D822-K906 HydrophobicContact CB-CD 3.92Å; D822-K906 VanDerWaalsContact CB-NZ 3.35Å; D822-K906 VanDerWaalsContact O-CD 3.28Å; D822-K906 WeakPolarHBondContact O-CD 3.46Å; D822-K906 PolarHBondContact O-NZ 2.95Å; D822-K906 WeakPolarHBondContact OD2-CE 3.19Å; D822-K906 IonicContact OD2-NZ 3.49Å; D822-K906 PolarHBondContact OD2-NZ 3.18Å; D823-K906 HydrophobicContact CB-CB 4.13Å; N904-K906 VanDerWaalsContact C-N 3.34Å; N904-K906 PolarHBondContact OD1-N 2.9Å; N904-K906 VanDerWaalsContact OD1-N 3.09Å; K906-Q908 VanDerWaalsContact C-N 3.33Å; K906-Q908 PolarHBondContact O-N 3.09Å; K906-I909 PolarHBondContact O-N 2.83Å; K906-L910 WeakPolarHBondContact O-CG 3.47Å; K906-L910 PolarHBondContact O-N 3.37Å
907	L	96	Very high	92.7	Very high	0 Å²	0	61 Å²	61	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-56.9	-43.8	170.8	-179.2	59.3	0	0	0	112	W830 F851 P863 N871 N904 I909 L910 L911	W830-L907 HydrophobicContact CH2-CD1 4.34Å; W830-L907 HydrophobicContact CZ2-CD1 3.58Å; F851-L907 HydrophobicContact CB-CD1 4.43Å; F851-L907 HydrophobicContact CD1-CD1 3.5Å; F851-L907 HydrophobicContact CD1-CD2 3.61Å; F851-L907 HydrophobicContact CD1-CG 4.22Å; F851-L907 HydrophobicContact CD2-CD1 4.09Å; F851-L907 HydrophobicContact CE1-CD1 3.67Å; F851-L907 HydrophobicContact CE1-CD2 4.03Å; F851-L907 HydrophobicContact CE2-CD1 4.24Å; F851-L907 HydrophobicContact CG-CD1 3.73Å; F851-L907 HydrophobicContact CG-CD2 4.39Å; F851-L907 HydrophobicContact CZ-CD1 4.04Å; P863-L907 HydrophobicContact CB-CD2 3.71Å; P863-L907 HydrophobicContact CB-CG 4.4Å; P863-L907 HydrophobicContact CG-CB 4.08Å; P863-L907 HydrophobicContact CG-CD2 3.73Å; P863-L907 HydrophobicContact CG-CG 3.86Å; N871-L907 HydrophobicContact CB-CD2 4.2Å; N871-L907 VanDerWaalsContact OD1-CD2 3.32Å; N871-L907 WeakPolarHBondContact OD1-CD2 3.32Å; N904-L907 HydrophobicContact CB-CB 4.21Å; N904-L907 PolarHBondContact OD1-N 2.73Å; L907-I909 PolarHBondContact O-N 3.36Å; L907-L910 PolarHBondContact O-N 3.48Å; L907-L911 HydrophobicContact CD1-CD1 3.92Å; L907-L911 HydrophobicContact CD1-CD2 4.11Å; L907-L911 HydrophobicContact CD1-CG 3.77Å; L907-L911 HydrophobicContact CG-CD1 3.94Å; L907-L911 HydrophobicContact CG-CG 4.18Å; L907-L911 VanDerWaalsContact O-CG 3.31Å; L907-L911 WeakPolarHBondContact O-CG 3.33Å; L907-L911 PolarHBondContact O-N 2.98Å
908	Q	95.3	Very high	92.7	Very high	15 Å²	15	56.1 Å²	56.1	7%	0.07	29%	0.291	C	S	.	.	H	α-helix	trans	-57.2	-48.1	177.6	-176.5	61.4	63.4	0	0	112.3	Q862 N904 K905 K906 L910 L911 D912 Y918	Q862-Q908 VanDerWaalsContact CA-OE1 3.32Å; N904-Q908 PolarHBondContact O-N 3.08Å; K905-Q908 PolarHBondContact O-N 3.12Å; K906-Q908 VanDerWaalsContact C-N 3.33Å; K906-Q908 PolarHBondContact O-N 3.09Å; Q908-L910 PolarHBondContact O-N 3.02Å; Q908-L911 PolarHBondContact O-N 2.87Å; Q908-D912 PolarHBondContact NE2-OD2 3.23Å; Q908-D912 PolarHBondContact O-N 3.3Å; Q908-D912 VanDerWaalsContact O-OD2 3.11Å; Q908-Y918 PolarHBondContact NE2-OH 2.96Å
909	I	95.3	Very high	92.3	Very high	80 Å²	80	50.3 Å²	50.3	41%	0.41	26%	0.263	S	S	.	.	H	α-helix	trans	-63.3	-42.8	179.6	-66.8	162.3	0	0	0	110.7	L819 K905 K906 L907 D912 Q913	L819-I909 HydrophobicContact CD1-CG2 3.71Å; K905-I909 WeakPolarHBondContact O-CD1 3.27Å; K905-I909 VanDerWaalsContact O-CG1 3.27Å; K905-I909 WeakPolarHBondContact O-CG1 3.42Å; K905-I909 PolarHBondContact O-N 3.03Å; K906-I909 PolarHBondContact O-N 2.83Å; L907-I909 PolarHBondContact O-N 3.36Å; I909-D912 PolarHBondContact O-N 3.08Å; I909-Q913 WeakPolarHBondContact O-CG 3.27Å; I909-Q913 PolarHBondContact O-N 2.95Å
910	L	95.4	Very high	91.4	Very high	0 Å²	0	57 Å²	57	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-60.9	-45.7	176.4	-74.6	167.5	0	0	0	111.9	Q816 L819 I820 W830 K906 L907 Q908 D912 Q913 F914	Q816-L910 HydrophobicContact CB-CD2 4.29Å; Q816-L910 HydrophobicContact CG-CD2 4.35Å; L819-L910 HydrophobicContact CB-CD1 4.02Å; L819-L910 HydrophobicContact CB-CD2 3.58Å; L819-L910 HydrophobicContact CB-CG 3.81Å; L819-L910 HydrophobicContact CD1-CD2 4.19Å; L819-L910 HydrophobicContact CD1-CG 4.44Å; I820-L910 HydrophobicContact CG1-CD1 3.76Å; I820-L910 HydrophobicContact CG1-CD2 3.94Å; W830-L910 HydrophobicContact CH2-CB 3.99Å; W830-L910 HydrophobicContact CH2-CD1 3.73Å; W830-L910 HydrophobicContact CH2-CG 4.37Å; W830-L910 HydrophobicContact CZ2-CB 4.11Å; W830-L910 HydrophobicContact CZ2-CD1 3.32Å; W830-L910 HydrophobicContact CZ2-CG 4.32Å; K906-L910 WeakPolarHBondContact O-CG 3.47Å; K906-L910 PolarHBondContact O-N 3.37Å; L907-L910 PolarHBondContact O-N 3.48Å; Q908-L910 PolarHBondContact O-N 3.02Å; L910-D912 PolarHBondContact O-N 3.05Å; L910-Q913 PolarHBondContact O-N 2.94Å; L910-Q913 VanDerWaalsContact O-N 3.15Å; L910-F914 HydrophobicContact CB-CD2 4.25Å; L910-F914 HydrophobicContact CB-CE2 4.18Å; L910-F914 HydrophobicContact CD2-CE2 3.95Å; L910-F914 WeakPolarHBondContact O-CD2 3.33Å; L910-F914 PolarHBondContact O-N 3.31Å
911	L	95.1	Very high	90	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-66.8	-35.9	177.7	-63.9	-177.7	0	0	0	112.4	F851 L859 A860 L907 Q908 Q913 F915 Y918	F851-L911 HydrophobicContact CB-CD1 4.17Å; F851-L911 HydrophobicContact CB-CD2 4.11Å; F851-L911 HydrophobicContact CD2-CD2 4.34Å; F851-L911 HydrophobicContact CG-CD2 4.42Å; L859-L911 HydrophobicContact CD1-CD1 3.92Å; L859-L911 HydrophobicContact CD1-CD2 3.85Å; L859-L911 HydrophobicContact CD1-CG 4.44Å; L859-L911 HydrophobicContact CD2-CB 4.46Å; L859-L911 HydrophobicContact CD2-CD2 4.3Å; L859-L911 HydrophobicContact CG-CD1 4.1Å; L859-L911 HydrophobicContact CG-CD2 4.39Å; A860-L911 WeakPolarHBondContact O-CD1 3.33Å; L907-L911 HydrophobicContact CD1-CD1 3.92Å; L907-L911 HydrophobicContact CD1-CD2 4.11Å; L907-L911 HydrophobicContact CD1-CG 3.77Å; L907-L911 HydrophobicContact CG-CD1 3.94Å; L907-L911 HydrophobicContact CG-CG 4.18Å; L907-L911 VanDerWaalsContact O-CG 3.31Å; L907-L911 WeakPolarHBondContact O-CG 3.33Å; L907-L911 PolarHBondContact O-N 2.98Å; Q908-L911 PolarHBondContact O-N 2.87Å; L911-Q913 VanDerWaalsContact C-N 3.29Å; L911-Q913 PolarHBondContact O-N 3.18Å; L911-F915 HydrophobicContact CD2-CD2 4.31Å; L911-F915 HydrophobicContact CD2-CE2 4.07Å; L911-F915 WeakPolarHBondContact O-CB 3.42Å; L911-F915 WeakPolarHBondContact O-CD2 3.42Å; L911-F915 PolarHBondContact O-N 3.42Å; L911-Y918 HydrophobicContact CB-CE1 3.76Å; L911-Y918 WeakPolarHBondContact CB-OH 3.23Å
912	D	92.7	Very high	88.8	Confident	53 Å²	53	58.8 Å²	58.8	28%	0.283	31%	0.309	S	S	.	.	H	α-helix	trans	-67.1	-28.1	172.3	-77.6	-53.4	0	0	0	112.9	Q908 I909 L910 P916 Y918 S919	Q908-D912 PolarHBondContact NE2-OD2 3.23Å; Q908-D912 PolarHBondContact O-N 3.3Å; Q908-D912 VanDerWaalsContact O-OD2 3.11Å; I909-D912 PolarHBondContact O-N 3.08Å; L910-D912 PolarHBondContact O-N 3.05Å; D912-P916 WeakPolarHBondContact O-CA 3.21Å; D912-Y918 WeakPolarHBondContact OD1-CE1 3.3Å; D912-S919 WeakPolarHBondContact OD1-CB 3.22Å; D912-S919 PolarHBondContact OD1-OG 3.34Å
913	Q	92.8	Very high	88.6	Confident	56 Å²	56	56 Å²	56	26%	0.262	29%	0.293	S	S	.	.	H	α-helix	trans	-79.5	-42.5	174.4	-74.1	-179.6	-10.8	0	0	113	Q816 I909 L910 L911	Q816-Q913 VanDerWaalsContact CG-OE1 3.32Å; I909-Q913 WeakPolarHBondContact O-CG 3.27Å; I909-Q913 PolarHBondContact O-N 2.95Å; L910-Q913 PolarHBondContact O-N 2.94Å; L910-Q913 VanDerWaalsContact O-N 3.15Å; L911-Q913 VanDerWaalsContact C-N 3.29Å; L911-Q913 PolarHBondContact O-N 3.18Å
914	F	92.7	Very high	88.3	Confident	11 Å²	11	55.7 Å²	55.7	5%	0.048	29%	0.294	C	S	.	.	H	α-helix	trans	-75.9	-27.3	179.4	-71.5	-56.9	0	0	0	113.2	F810 L812 Q816 I820 W830 F843 L844 L847 L910	F810-F914 HydrophobicContact CE1-CE1 4.26Å; L812-F914 HydrophobicContact CD2-CE1 3.45Å; L812-F914 VanDerWaalsContact CD2-CE1 3.45Å; L812-F914 HydrophobicContact CD2-CZ 3.56Å; Q816-F914 HydrophobicContact CB-CZ 4.17Å; Q816-F914 HydrophobicContact CG-CE1 4.23Å; Q816-F914 HydrophobicContact CG-CZ 4.05Å; I820-F914 HydrophobicContact CD1-CE2 4.4Å; I820-F914 HydrophobicContact CD1-CZ 4.17Å; W830-F914 HydrophobicContact CH2-CD2 4.48Å; W830-F914 AromaticContact CH2-CE2 3.98Å; W830-F914 HydrophobicContact CH2-CE2 3.98Å; W830-F914 HydrophobicContact CZ3-CE2 4.04Å; F843-F914 HydrophobicContact CE1-CE1 4.09Å; F843-F914 HydrophobicContact CE1-CZ 4.47Å; L844-F914 HydrophobicContact CD2-CB 4.01Å; L844-F914 HydrophobicContact CD2-CD1 3.76Å; L844-F914 HydrophobicContact CD2-CG 4.22Å; L847-F914 HydrophobicContact CD2-CB 3.99Å; L847-F914 HydrophobicContact CD2-CD1 4.21Å; L847-F914 HydrophobicContact CD2-CD2 3.21Å; L847-F914 HydrophobicContact CD2-CE2 3.61Å; L847-F914 HydrophobicContact CD2-CG 3.55Å; L847-F914 HydrophobicContact CD2-CZ 4.26Å; L910-F914 HydrophobicContact CB-CD2 4.25Å; L910-F914 HydrophobicContact CB-CE2 4.18Å; L910-F914 HydrophobicContact CD2-CE2 3.95Å; L910-F914 WeakPolarHBondContact O-CD2 3.33Å; L910-F914 PolarHBondContact O-N 3.31Å
915	F	92.4	Very high	87.8	Confident	36 Å²	36	57.7 Å²	57.7	16%	0.158	30%	0.304	C	S	.	.	S	Bend	trans	-130.2	69.8	-179.7	-51.7	-89.1	0	0	0	111.1	L844 L847 E848 L859 L911 G917 Y918	L844-F915 HydrophobicContact CB-CE1 4.35Å; L844-F915 VanDerWaalsContact O-CZ 3.3Å; L844-F915 WeakPolarHBondContact O-CZ 3.29Å; L847-F915 HydrophobicContact CB-CZ 4.28Å; L847-F915 HydrophobicContact CD2-CE2 4.17Å; E848-F915 HydrophobicContact CB-CE1 3.92Å; E848-F915 HydrophobicContact CB-CZ 3.75Å; E848-F915 HydrophobicContact CG-CE1 4.27Å; E848-F915 HydrophobicContact CG-CZ 4.35Å; L859-F915 HydrophobicContact CD1-CE2 4.49Å; L859-F915 HydrophobicContact CD2-CB 4.04Å; L859-F915 HydrophobicContact CD2-CD1 4.19Å; L859-F915 HydrophobicContact CD2-CD2 3.23Å; L859-F915 HydrophobicContact CD2-CE1 4.48Å; L859-F915 HydrophobicContact CD2-CE2 3.59Å; L859-F915 HydrophobicContact CD2-CG 3.55Å; L859-F915 HydrophobicContact CD2-CZ 4.21Å; L911-F915 HydrophobicContact CD2-CD2 4.31Å; L911-F915 HydrophobicContact CD2-CE2 4.07Å; L911-F915 WeakPolarHBondContact O-CB 3.42Å; L911-F915 WeakPolarHBondContact O-CD2 3.42Å; L911-F915 PolarHBondContact O-N 3.42Å; F915-G917 PolarHBondContact O-N 3.44Å; F915-Y918 HydrophobicContact CB-CD1 4.17Å; F915-Y918 HydrophobicContact CB-CG 4.17Å; F915-Y918 WeakPolarHBondContact O-CD1 3.43Å; F915-Y918 PolarHBondContact O-N 3.44Å
916	P	89.2	Confident	87.4	Confident	113 Å²	113	52.2 Å²	52.2	73%	0.734	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.8	110	-173.4	-29.5	37.5	0	0	0	113.6	D912	D912-P916 WeakPolarHBondContact O-CA 3.21Å
917	G	79.5	Confident	86.9	Confident	25 Å²	25	50.8 Å²	50.8	26%	0.258	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	93.9	3	178	0	0	0	0	0	116.6	F915 S919 K920	F915-G917 PolarHBondContact O-N 3.44Å; G917-S919 PolarHBondContact O-N 3.44Å; G917-K920 VanDerWaalsContact O-CB 3.3Å; G917-K920 WeakPolarHBondContact O-CB 3.31Å; G917-K920 PolarHBondContact O-N 3.28Å
918	Y	88.6	Confident	86.3	Confident	39 Å²	39	54.1 Å²	54.1	15%	0.153	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-20.9	175.1	94.4	-72.7	0	0	0	113.9	L859 A860 Q908 L911 D912 F915 R922	L859-Y918 HydrophobicContact CB-CD2 3.95Å; L859-Y918 HydrophobicContact CB-CE2 4.03Å; L859-Y918 HydrophobicContact CD2-CD1 4.5Å; L859-Y918 HydrophobicContact CD2-CD2 3.63Å; L859-Y918 HydrophobicContact CD2-CE2 3.79Å; L859-Y918 HydrophobicContact CD2-CG 4.01Å; L859-Y918 HydrophobicContact CG-CD2 3.89Å; L859-Y918 HydrophobicContact CG-CE2 3.69Å; A860-Y918 PolarHBondContact O-OH 3Å; Q908-Y918 PolarHBondContact NE2-OH 2.96Å; L911-Y918 HydrophobicContact CB-CE1 3.76Å; L911-Y918 WeakPolarHBondContact CB-OH 3.23Å; D912-Y918 WeakPolarHBondContact OD1-CE1 3.3Å; F915-Y918 HydrophobicContact CB-CD1 4.17Å; F915-Y918 HydrophobicContact CB-CG 4.17Å; F915-Y918 WeakPolarHBondContact O-CD1 3.43Å; F915-Y918 PolarHBondContact O-N 3.44Å; Y918-R922 PolarHBondContact O-NH1 3.35Å
919	S	82	Confident	85.7	Confident	31 Å²	31	56.9 Å²	56.9	22%	0.217	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.7	-14.3	175.4	49.7	0	0	0	0	114	D912 G917 G921 R922	D912-S919 WeakPolarHBondContact OD1-CB 3.22Å; D912-S919 PolarHBondContact OD1-OG 3.34Å; G917-S919 PolarHBondContact O-N 3.44Å; S919-G921 PolarHBondContact O-N 2.82Å; S919-R922 PolarHBondContact O-N 3.21Å
920	K	74.5	Confident	84.9	Confident	185 Å²	185	55.2 Å²	55.2	80%	0.804	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.1	99.1	-178.6	-67.5	176.3	-180	176.2	0	110.5	G917	G917-K920 VanDerWaalsContact O-CB 3.3Å; G917-K920 WeakPolarHBondContact O-CB 3.31Å; G917-K920 PolarHBondContact O-N 3.28Å
921	G	60.9	Low	84.1	Confident	70 Å²	70	59.8 Å²	59.8	72%	0.722	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	113.6	-0.3	175.4	0	0	0	0	0	115.4	S919	S919-G921 PolarHBondContact O-N 2.82Å
922	R	68.4	Low	83.1	Confident	98 Å²	98	65.2 Å²	65.2	37%	0.37	36%	0.364	S	S	.	.			trans	-85.2	0	175.9	-51.9	-77.4	-84.7	-60.4	-1.2	112.4	R721 E858 L859 F861 Y918 S919	R721-R922 PolarHBondContact NH2-O 3.49Å; E858-R922 IonicContact OE2-CZ 2.75Å; E858-R922 VanDerWaalsContact OE2-CZ 3.3Å; E858-R922 IonicContact OE2-NE 2.71Å; E858-R922 PolarHBondContact OE2-NE 3.43Å; E858-R922 IonicContact OE2-NH2 3.35Å; E858-R922 PolarHBondContact OE2-NH2 3.27Å; L859-R922 PolarHBondContact O-NH2 2.79Å; F861-R922 HydrophobicContact CB-CB 4.42Å; F861-R922 HydrophobicContact CD1-CB 3.37Å; F861-R922 HydrophobicContact CD1-CG 4.38Å; F861-R922 HydrophobicContact CD2-CB 4.23Å; F861-R922 HydrophobicContact CE1-CB 3.51Å; F861-R922 WeakPolarHBondContact CE1-OXT 3.45Å; F861-R922 HydrophobicContact CE2-CB 4.36Å; F861-R922 HydrophobicContact CG-CB 3.75Å; F861-R922 HydrophobicContact CG-CG 4.31Å; F861-R922 HydrophobicContact CZ-CB 4Å; Y918-R922 PolarHBondContact O-NH1 3.35Å; S919-R922 PolarHBondContact O-N 3.21Å

Retrieved 922 of 922 residues in 253.6 ms (Link to these results)

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