A0A077YZL0_TRITR Loading...

Cation-transporting ATPase

AlphaFold DB , UniProt , Accession A0A077YZL0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 1,186 aa.

						>A0A077YZL0_TRITR|A0A077YZL0
MGVPLATVGRTAGVAVEIEDRNEILVWGYTFRRWKIALTAILSVFTLGLFSLVLHWKPVLFVQFLCDACPLESASIVLVRDDCYRWSLRRVYETCRGGGYLYLQNGGVLLEHYCLRYFTYRKQKFVWSTELKRFFLLTGYDQNITVHDMHNHDGWTSEHVDRLAASYGPNEINIELKSPLQLLISQAINPFYMFQLFSVTIWFSDTYYYYASIIVVLSVVSLFVDVYQIRKNQLALHNSIHKTDFVGVIRDGIVTTVSSTQLVPGDVIVIPNVGCVMTCDAVLIAGNCMLNESGLTGESMPVTKTALPVNSAYAKQMIYMEKYHAKHTLYSGTEVLQTRYYPAQLVKAIVTRTGFNTQKGQLVRSIMYPKPVDFAFTKDLLRFLFVLALLASVGMLYTIVLMGMRGCSIGKILVRALDLITICVPPALPAAMTIGIIAAESRLKKRLVYCISPNTLNTCGGINVVCFDKTGTLTEDGLNFLGAVSVSERLELKRLGWQKLYGFIFSRTFNGDLEDVDKKDASDGIVRCMASCHSLTRIDGKLVGDPLDLVMFKQSGWMLEEPAVNETAQFDTLVPTLVNAPDRSCEIGILKQFPFSSDLQRMSVLTRELSSSNIVLYCKGAPETVAKLCVADSLPSDYEHTLSSFTRKGYRVLALATRRLEAGFIKTNQLPREQVECEMDFLGLLVMDNRLKPETQPVINALKKANIRSVMVTGDNILTAVCVARECSIVDPSLPLYFVECVAVDGKMEVRLCPEEGSVHRYPTNPYKLDPTGEKPMFVKLEKNYVKRTYELAISGTVIGTIAEYFPHLIPKLVCMCNVFARMSPEQKTHLVNILQEMDYTVAMCGDGANDCGALKAAHAGISLSESEASIASPFTSKKPNIECVIDVIREGRAALTTSFGVFKYMAGYSLTQFLSVCLLYWLGTNMADFQFLLIDAALITMFSLFFGRTEASEVLAPKPPPVRILSVSSVASLFLQLLLMLAFQVTIFIYVTTQPWFVPHTYSLMGEVYPSYRASCVFMISIFQYITLVVVYSKSHPHRKTMMHNKLFFASIVVGTILCVVITVAPPDFAVELLVLKVPVDFKFRLFILLMAGVNFVACILTENFIVDLLIPKLTRHFKCGSTASPRYCQELSRVAGSIAWLDVSRKVEATDAFSLVKRQGSVSPTFAKNGETELLYRMESVKKL
					

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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	28.7	Very low	39.2	Very low	238 Å²	238	111.5 Å²	111.5	100%	1.172	65%	0.654	S	S	*	*				0	102	0	-72	176.4	-178.2	0	0	108.3	V3	M1-V3 PolarHBondContact O-N 3.17Å
2	G	37.9	Very low	40.9	Very low	77 Å²	77	110.5 Å²	110.5	79%	0.794	67%	0.668	S	S	*	*			trans	-80.3	97	175.2	0	0	0	0	0	108.9	P4	G2-P4 WeakPolarHBondContact O-CD 3.47Å; G2-P4 VanDerWaalsContact O-N 3.11Å
3	V	30.4	Very low	42.6	Very low	130 Å²	130	102.9 Å²	102.9	79%	0.788	63%	0.626	S	S	*	*			trans	-53.9	117.1	162.1	179.3	0	0	0	0	105.9	M1 L5	M1-V3 PolarHBondContact O-N 3.17Å; V3-L5 PolarHBondContact O-N 2.91Å
4	P	33.7	Very low	45	Very low	101 Å²	101	99.6 Å²	99.6	66%	0.656	61%	0.606	S	S	*	*			trans	-63.4	133.1	-175.4	24.1	-30	0	0	0	108.4	G2 A6	G2-P4 WeakPolarHBondContact O-CD 3.47Å; G2-P4 VanDerWaalsContact O-N 3.11Å; P4-A6 HydrophobicContact CB-CB 4.35Å; P4-A6 PolarHBondContact O-N 3.21Å
5	L	39.9	Very low	47.1	Very low	126 Å²	126	95.7 Å²	95.7	66%	0.66	59%	0.588	S	S	*	*			trans	-59.8	35.4	175.8	-80.7	110.1	0	0	0	113.9	V3 T7 L60	V3-L5 PolarHBondContact O-N 2.91Å; L5-T7 PolarHBondContact O-N 3.25Å; L5-L60 HydrophobicContact CD2-CD2 4.1Å
6	A	37.9	Very low	48.8	Very low	49 Å²	49	90.1 Å²	90.1	41%	0.405	55%	0.553	S	S	.	*	T	Hydrogen-bonded Turn	trans	-80.9	2.1	-158.2	0	0	0	0	0	116.2	P4	P4-A6 HydrophobicContact CB-CB 4.35Å; P4-A6 PolarHBondContact O-N 3.21Å
7	T	38.9	Very low	50	Low	126 Å²	126	93.2 Å²	93.2	77%	0.773	56%	0.56	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99	-11.1	-176.8	47.6	0	0	0	0	115.3	L5	L5-T7 PolarHBondContact O-N 3.25Å
8	V	41.6	Very low	50.9	Low	34 Å²	34	89.3 Å²	89.3	21%	0.206	54%	0.536	C	S	.	.	S	Bend	trans	-104.5	119.2	173.7	175.2	0	0	0	0	110.5	V59 Q63 L78	V8-V59 HydrophobicContact CB-CG1 4.16Å; V8-V59 HydrophobicContact CG1-CG1 3.92Å; V8-Q63 HydrophobicContact CG2-CG 3.43Å; V8-Q63 VanDerWaalsContact CG2-CG 3.43Å; V8-L78 HydrophobicContact CG1-CD2 4.49Å
9	G	45.6	Very low	51.1	Low	32 Å²	32	88.3 Å²	88.3	33%	0.33	53%	0.525	S	S	.	.	S	Bend	trans	105.1	5.4	179.8	0	0	0	0	0	116.3
10	R	45.5	Very low	51	Low	218 Å²	218	90.2 Å²	90.2	82%	0.823	53%	0.532	S	S	*	.			trans	-79	-27.2	170.9	-87.6	-167.9	178.1	-169.9	0.2	114	A12	R10-A12 PolarHBondContact O-N 3.1Å
11	T	51.2	Low	50.9	Low	96 Å²	96	94.9 Å²	94.9	59%	0.589	54%	0.541	S	S	*	.	S	Bend	trans	-70.9	125.2	166.9	51.9	0	0	0	0	107.4	G13 W27	T11-G13 PolarHBondContact O-N 3.3Å; T11-W27 PolarHBondContact O-NE1 3.27Å
12	A	60	Low	52.5	Low	99 Å²	99	88.1 Å²	88.1	82%	0.818	51%	0.509	S	S	*	.	P	Polyproline II helix	trans	-50	116.4	172.6	0	0	0	0	0	107.9	R10	R10-A12 PolarHBondContact O-N 3.1Å
13	G	63	Low	54.2	Low	12 Å²	12	88.9 Å²	88.9	12%	0.124	49%	0.492	C	S	.	.	P	Polyproline II helix	trans	-60.4	149.6	170.6	0	0	0	0	0	108.3	T11 A15 W27	T11-G13 PolarHBondContact O-N 3.3Å; G13-A15 PolarHBondContact O-N 3.19Å; G13-W27 VanDerWaalsContact CA-NE1 3.34Å
14	V	76.5	Confident	56.8	Low	57 Å²	57	82.9 Å²	82.9	35%	0.345	46%	0.456	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	119	172.2	-178.5	0	0	0	0	106.8	V16 V26 L71 R133	V14-V16 PolarHBondContact O-N 3.06Å; V14-V26 PolarHBondContact N-O 3.46Å; V14-V26 VanDerWaalsContact N-O 3.08Å; V14-V26 PolarHBondContact O-N 3.33Å; V14-L71 HydrophobicContact CB-CD1 3.69Å; V14-L71 HydrophobicContact CG1-CD1 4.25Å; V14-L71 HydrophobicContact CG2-CD1 3.52Å; V14-R133 HydrophobicContact CG1-CB 4.26Å
15	A	75.2	Confident	59.3	Low	41 Å²	41	80 Å²	80	34%	0.339	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	125.4	172.3	0	0	0	0	0	108.9	G13 E23 I24 L25	G13-A15 PolarHBondContact O-N 3.19Å; A15-E23 WeakPolarHBondContact CB-OE2 3.38Å; A15-I24 WeakPolarHBondContact CA-O 3.24Å; A15-L25 HydrophobicContact CB-CD2 4.1Å
16	V	75.6	Confident	61.7	Low	5 Å²	5	74 Å²	74	3%	0.03	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	118	173	-178.4	0	0	0	0	106.6	V14 I24 V26 F125 F134	V14-V16 PolarHBondContact O-N 3.06Å; V16-I24 HydrophobicContact CB-CG1 4.04Å; V16-I24 PolarHBondContact N-O 2.85Å; V16-I24 WeakPolarHBondContact O-CG1 3.31Å; V16-I24 PolarHBondContact O-N 3.06Å; V16-V26 HydrophobicContact CB-CG2 4.34Å; V16-V26 HydrophobicContact CG2-CB 4.47Å; V16-V26 HydrophobicContact CG2-CG2 3.84Å; V16-F125 HydrophobicContact CG1-CD1 3.68Å; V16-F125 HydrophobicContact CG1-CE1 3.71Å; V16-F134 WeakPolarHBondContact CG1-O 3.35Å
17	E	68.8	Low	64.1	Low	144 Å²	144	72.4 Å²	72.4	67%	0.673	39%	0.387	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67	134.5	175.2	-70.4	175.7	-175.2	0	0	109.9	E23	E17-E23 HydrophobicContact CG-CG 4.34Å
18	I	65.2	Low	66.6	Low	23 Å²	23	66.7 Å²	66.7	12%	0.118	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	-55.3	175.3	-61.2	-169.9	0	0	0	110.3	N22 I24 Y120 Q123 F125 L136	I18-N22 PolarHBondContact N-O 3.13Å; I18-I24 HydrophobicContact CD1-CB 4.17Å; I18-I24 HydrophobicContact CD1-CD1 4.03Å; I18-I24 HydrophobicContact CD1-CG1 3.86Å; I18-I24 HydrophobicContact CD1-CG2 3.39Å; I18-I24 HydrophobicContact CG1-CD1 4.29Å; I18-I24 HydrophobicContact CG1-CG1 3.92Å; I18-I24 HydrophobicContact CG1-CG2 4.26Å; I18-Y120 HydrophobicContact CD1-CD1 4.22Å; I18-Y120 HydrophobicContact CD1-CE1 4.12Å; I18-Q123 VanDerWaalsContact CG2-OE1 3.23Å; I18-F125 HydrophobicContact CD1-CZ 4.41Å; I18-F125 HydrophobicContact CG1-CE1 4.41Å; I18-F125 HydrophobicContact CG1-CZ 4.05Å; I18-L136 WeakPolarHBondContact O-CD2 3.34Å
19	E	54.6	Low	68.9	Low	70 Å²	70	65.7 Å²	65.7	33%	0.327	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-175.1	143.4	-175.7	-99.6	146.4	-166.7	0	0	108.4	R21 N22 Q123 Q361 R364	E19-R21 PolarHBondContact O-N 3.14Å; E19-N22 PolarHBondContact O-N 3.38Å; E19-Q123 PolarHBondContact OE1-NE2 2.84Å; E19-Q123 VanDerWaalsContact OE1-NE2 3.12Å; E19-Q361 PolarHBondContact OE1-NE2 3.22Å; E19-R364 IonicContact OE1-NH1 2.8Å; E19-R364 IonicContact OE2-NH1 3.88Å; E19-R364 IonicContact OE2-NH2 3.45Å
20	D	49.6	Very low	71.2	Confident	126 Å²	126	66.2 Å²	66.2	67%	0.674	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	25.4	62.5	168.8	-86.4	-1.1	0	0	0	115.2	K322	D20-K322 IonicContact OD1-NZ 3.88Å; D20-K322 IonicContact OD2-NZ 3.42Å; D20-K322 PolarHBondContact OD2-NZ 3.47Å
21	R	49.3	Very low	73.3	Confident	188 Å²	188	59.9 Å²	59.9	71%	0.709	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.8	6.3	173.8	-50.4	179.3	175.9	-172	-3.3	118.8	E19	E19-R21 PolarHBondContact O-N 3.14Å
22	N	62.1	Low	75.1	Confident	97 Å²	97	61.2 Å²	61.2	52%	0.519	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	128.1	170.2	-67.6	-31.9	0	0	0	111.4	I18 E19	I18-N22 PolarHBondContact N-O 3.13Å; E19-N22 PolarHBondContact O-N 3.38Å
23	E	74.5	Confident	76.5	Confident	93 Å²	93	67.3 Å²	67.3	44%	0.435	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	141.5	178.2	-69.1	178.9	-170.6	0	0	110.3	A15 E17	A15-E23 WeakPolarHBondContact CB-OE2 3.38Å; E17-E23 HydrophobicContact CG-CG 4.34Å
24	I	83.7	Confident	77.8	Confident	3 Å²	3	74.4 Å²	74.4	2%	0.015	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	141.9	163.1	50.9	168.1	0	0	0	109.9	A15 V16 I18 V26 V79 Y120 F125	A15-I24 WeakPolarHBondContact CA-O 3.24Å; V16-I24 HydrophobicContact CB-CG1 4.04Å; V16-I24 PolarHBondContact N-O 2.85Å; V16-I24 WeakPolarHBondContact O-CG1 3.31Å; V16-I24 PolarHBondContact O-N 3.06Å; I18-I24 HydrophobicContact CD1-CB 4.17Å; I18-I24 HydrophobicContact CD1-CD1 4.03Å; I18-I24 HydrophobicContact CD1-CG1 3.86Å; I18-I24 HydrophobicContact CD1-CG2 3.39Å; I18-I24 HydrophobicContact CG1-CD1 4.29Å; I18-I24 HydrophobicContact CG1-CG1 3.92Å; I18-I24 HydrophobicContact CG1-CG2 4.26Å; I24-V26 HydrophobicContact CD1-CG2 3.93Å; I24-V26 HydrophobicContact CG1-CG2 4.1Å; I24-V79 HydrophobicContact CB-CG1 3.98Å; I24-V79 HydrophobicContact CD1-CG1 3.93Å; I24-V79 HydrophobicContact CG2-CG1 4.03Å; I24-Y120 HydrophobicContact CD1-CD1 4.22Å; I24-Y120 HydrophobicContact CG2-CE1 4.03Å; I24-F125 HydrophobicContact CD1-CE1 4.34Å; I24-F125 HydrophobicContact CD1-CZ 4.14Å
25	L	87.5	Confident	78.5	Confident	41 Å²	41	73.2 Å²	73.2	22%	0.215	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	126.8	170.8	-64.1	172.9	0	0	0	109	A15 W27 R80	A15-L25 HydrophobicContact CB-CD2 4.1Å; L25-W27 HydrophobicContact CB-CE3 4.35Å; L25-W27 HydrophobicContact CB-CH2 3.3Å; L25-W27 HydrophobicContact CB-CZ2 4.11Å; L25-W27 HydrophobicContact CB-CZ3 3.43Å; L25-W27 VanDerWaalsContact CB-CZ3 3.43Å; L25-W27 HydrophobicContact CD1-CH2 3.86Å; L25-W27 HydrophobicContact CD1-CZ2 4.42Å; L25-W27 HydrophobicContact CG-CH2 4.24Å; L25-W27 WeakPolarHBondContact O-CZ3 3.29Å; L25-R80 HydrophobicContact CB-CB 4.47Å; L25-R80 PolarHBondContact N-O 3.2Å; L25-R80 PolarHBondContact O-N 2.94Å
26	V	88.8	Confident	79.2	Confident	1 Å²	1	74.7 Å²	74.7	1%	0.006	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	132.5	-175.6	-168.6	0	0	0	0	110.1	V14 V16 I24 L71 V77 V79 F118	V14-V26 PolarHBondContact N-O 3.46Å; V14-V26 VanDerWaalsContact N-O 3.08Å; V14-V26 PolarHBondContact O-N 3.33Å; V16-V26 HydrophobicContact CB-CG2 4.34Å; V16-V26 HydrophobicContact CG2-CB 4.47Å; V16-V26 HydrophobicContact CG2-CG2 3.84Å; I24-V26 HydrophobicContact CD1-CG2 3.93Å; I24-V26 HydrophobicContact CG1-CG2 4.1Å; V26-L71 HydrophobicContact CG1-CD2 3.83Å; V26-V77 HydrophobicContact CG1-CB 3.69Å; V26-V77 HydrophobicContact CG1-CG1 3.82Å; V26-V77 HydrophobicContact CG1-CG2 4.36Å; V26-V79 HydrophobicContact CG1-CG2 4.48Å; V26-V79 HydrophobicContact CG2-CG2 4.47Å; V26-F118 HydrophobicContact CG2-CZ 4.39Å
27	W	89.6	Confident	79.9	Confident	15 Å²	15	76.7 Å²	76.7	6%	0.057	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	137.1	173.8	-65.8	-94.5	0	0	0	110.6	T11 G13 L25 Y29 V77 L78 R80 W86	T11-W27 PolarHBondContact O-NE1 3.27Å; G13-W27 VanDerWaalsContact CA-NE1 3.34Å; L25-W27 HydrophobicContact CB-CE3 4.35Å; L25-W27 HydrophobicContact CB-CH2 3.3Å; L25-W27 HydrophobicContact CB-CZ2 4.11Å; L25-W27 HydrophobicContact CB-CZ3 3.43Å; L25-W27 VanDerWaalsContact CB-CZ3 3.43Å; L25-W27 HydrophobicContact CD1-CH2 3.86Å; L25-W27 HydrophobicContact CD1-CZ2 4.42Å; L25-W27 HydrophobicContact CG-CH2 4.24Å; L25-W27 WeakPolarHBondContact O-CZ3 3.29Å; W27-Y29 HydrophobicContact CB-CD2 4.26Å; W27-Y29 HydrophobicContact CB-CE2 3.51Å; W27-V77 CarbonylContact O-C 2.95Å; W27-V77 VanDerWaalsContact O-CA 3.29Å; W27-V77 WeakPolarHBondContact O-CA 3.24Å; W27-L78 HydrophobicContact CB-CB 4.48Å; W27-L78 PolarHBondContact N-O 2.88Å; W27-L78 PolarHBondContact O-N 2.95Å; W27-R80 HydrophobicContact CH2-CB 4.04Å; W27-R80 HydrophobicContact CZ3-CB 3.56Å; W27-W86 HydrophobicContact CE3-CH2 4.38Å; W27-W86 AromaticContact CE3-CZ3 3.76Å; W27-W86 HydrophobicContact CE3-CZ3 3.76Å; W27-W86 AromaticContact CH2-CH2 3.86Å; W27-W86 HydrophobicContact CH2-CH2 3.86Å; W27-W86 AromaticContact CH2-CZ3 3.99Å; W27-W86 HydrophobicContact CH2-CZ3 3.99Å; W27-W86 HydrophobicContact CZ2-CH2 4.44Å; W27-W86 HydrophobicContact CZ3-CE3 4.49Å; W27-W86 AromaticContact CZ3-CH2 3.84Å; W27-W86 HydrophobicContact CZ3-CH2 3.84Å; W27-W86 AromaticContact CZ3-CZ3 3.46Å; W27-W86 HydrophobicContact CZ3-CZ3 3.46Å; W27-W86 VanDerWaalsContact CZ3-CZ3 3.46Å
28	G	89.9	Confident	80.9	Confident	6 Å²	6	73.3 Å²	73.3	6%	0.062	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	135.4	179.1	0	0	0	0	0	112.9	C69 A74	G28-C69 CarbonylContact C-O 3.08Å; G28-C69 VanDerWaalsContact C-SG 3.56Å; G28-C69 PolarHBondContact O-N 3.04Å; G28-A74 VanDerWaalsContact CA-CB 3.44Å
29	Y	91.6	Very high	82.1	Confident	13 Å²	13	72.6 Å²	72.6	5%	0.051	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	147.5	177.7	-68.7	-84.8	0	0	0	112.2	W27 V62 C66 D67 A68 C69 S75 I76 L78	W27-Y29 HydrophobicContact CB-CD2 4.26Å; W27-Y29 HydrophobicContact CB-CE2 3.51Å; Y29-V62 HydrophobicContact CD1-CG1 3.06Å; Y29-V62 HydrophobicContact CD2-CG1 3.58Å; Y29-V62 HydrophobicContact CE1-CG1 3.19Å; Y29-V62 HydrophobicContact CE2-CG1 3.67Å; Y29-V62 HydrophobicContact CG-CG1 3.27Å; Y29-V62 VanDerWaalsContact CZ-CG1 3.5Å; Y29-C66 HydrophobicContact CD1-CB 4.28Å; Y29-D67 WeakPolarHBondContact CA-O 3.36Å; Y29-D67 WeakPolarHBondContact CD1-O 3.47Å; Y29-A68 HydrophobicContact CD1-CB 4.28Å; Y29-A68 HydrophobicContact CE1-CB 3.86Å; Y29-C69 VanDerWaalsContact CA-SG 3.5Å; Y29-C69 PolarHBondContact N-SG 2.65Å; Y29-S75 PolarHBondContact O-N 3.23Å; Y29-S75 VanDerWaalsContact O-N 3.12Å; Y29-S75 PolarHBondContact O-OG 3.48Å; Y29-I76 PolarHBondContact N-O 3.47Å; Y29-I76 PolarHBondContact O-N 3.47Å; Y29-I76 VanDerWaalsContact O-O 3.11Å; Y29-L78 HydrophobicContact CD2-CB 3.88Å; Y29-L78 HydrophobicContact CE2-CB 3.66Å; Y29-L78 HydrophobicContact CE2-CD2 3.93Å; Y29-L78 HydrophobicContact CE2-CG 4.46Å
30	T	92.3	Very high	83.8	Confident	42 Å²	42	71.6 Å²	71.6	26%	0.258	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	145.3	175.8	-165.3	0	0	0	0	111.6	C66 D67 C69 S75	T30-C66 CarbonylContact O-C 3.52Å; T30-C66 WeakPolarHBondContact O-CA 3.34Å; T30-C66 VanDerWaalsContact O-CB 3.29Å; T30-C66 WeakPolarHBondContact O-CB 3.28Å; T30-D67 PolarHBondContact N-O 3.45Å; T30-D67 PolarHBondContact O-N 3.36Å; T30-C69 HydrophobicContact CG2-CB 4.2Å; T30-S75 WeakPolarHBondContact CA-OG 3.29Å
31	F	90.3	Very high	85.8	Confident	86 Å²	86	69.8 Å²	69.8	38%	0.377	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	140.1	-179.4	-75.7	-70.5	0	0	0	112	I36 F61 L65 I76	F31-I36 HydrophobicContact CB-CD1 4.02Å; F31-I36 HydrophobicContact CD1-CD1 4.08Å; F31-I36 HydrophobicContact CD1-CG1 4.46Å; F31-I36 HydrophobicContact CG-CD1 4.35Å; F31-F61 HydrophobicContact CE1-CE1 4.31Å; F31-F61 HydrophobicContact CE1-CZ 4.39Å; F31-L65 HydrophobicContact CD1-CB 4.26Å; F31-L65 HydrophobicContact CE1-CB 4.25Å; F31-L65 HydrophobicContact CE1-CD2 4.2Å; F31-I76 HydrophobicContact CD2-CD1 4.16Å; F31-I76 HydrophobicContact CE1-CD1 4.09Å; F31-I76 HydrophobicContact CE2-CD1 3.17Å; F31-I76 HydrophobicContact CE2-CG1 3.94Å; F31-I76 HydrophobicContact CZ-CD1 3.13Å; F31-I76 HydrophobicContact CZ-CG1 4.34Å
32	R	89.4	Confident	87.8	Confident	124 Å²	124	63.6 Å²	63.6	47%	0.468	31%	0.306	S	S	.	.			trans	-116.1	130.2	172.4	-70.3	-63.4	-162.9	178.9	-2.1	111.3	W34 K35 I36 L65 D67	R32-W34 PolarHBondContact O-N 2.68Å; R32-K35 HydrophobicContact CB-CB 4.03Å; R32-K35 HydrophobicContact CB-CD 4.36Å; R32-K35 HydrophobicContact CB-CG 4.27Å; R32-K35 PolarHBondContact O-N 2.92Å; R32-I36 WeakPolarHBondContact O-CG1 3.37Å; R32-I36 PolarHBondContact O-N 2.77Å; R32-L65 PolarHBondContact N-O 3.17Å; R32-D67 HydrophobicContact CG-CB 4.24Å; R32-D67 WeakPolarHBondContact CG-OD2 3.46Å; R32-D67 IonicContact CZ-OD2 3.39Å; R32-D67 IonicContact NE-OD2 3.64Å; R32-D67 PolarHBondContact NE-OD2 2.96Å; R32-D67 IonicContact NH2-OD2 2.65Å
33	R	89.9	Confident	89.1	Confident	227 Å²	227	59.9 Å²	59.9	86%	0.857	29%	0.287	S	S	*	.	H	α-helix	trans	-57.2	-44.9	-177.9	-67.8	-174.2	178.2	-179.6	-0.3	113.3	I36 A37	R33-I36 PolarHBondContact O-N 3.15Å; R33-A37 WeakPolarHBondContact O-CB 3.38Å; R33-A37 PolarHBondContact O-N 3.45Å
34	W	90.5	Very high	89.9	Confident	161 Å²	161	60.8 Å²	60.8	61%	0.61	30%	0.299	S	S	*	.	H	α-helix	trans	-68.3	-36.5	-178.9	77.9	-94.8	0	0	0	112.6	R32 A37 L38	R32-W34 PolarHBondContact O-N 2.68Å; W34-A37 PolarHBondContact O-N 3.49Å; W34-L38 HydrophobicContact CZ3-CD2 4Å; W34-L38 WeakPolarHBondContact O-CB 3.38Å; W34-L38 PolarHBondContact O-N 3.39Å
35	K	90.1	Very high	90.2	Very high	32 Å²	32	68.8 Å²	68.8	14%	0.139	33%	0.334	C	S	.	.	H	α-helix	trans	-65.6	-41	174.4	-86.2	-168.6	173.2	-178.9	0	112.2	R32 L38 T39 Q63 F64 C66 D67	R32-K35 HydrophobicContact CB-CB 4.03Å; R32-K35 HydrophobicContact CB-CD 4.36Å; R32-K35 HydrophobicContact CB-CG 4.27Å; R32-K35 PolarHBondContact O-N 2.92Å; K35-L38 PolarHBondContact O-N 3.13Å; K35-T39 VanDerWaalsContact O-CB 3.31Å; K35-T39 WeakPolarHBondContact O-CB 3.49Å; K35-T39 PolarHBondContact O-N 3.03Å; K35-T39 PolarHBondContact O-OG1 3.36Å; K35-Q63 PolarHBondContact NZ-O 3.08Å; K35-F64 VanDerWaalsContact CB-O 3.24Å; K35-F64 WeakPolarHBondContact CB-O 3.31Å; K35-C66 PolarHBondContact NZ-O 3.32Å; K35-D67 VanDerWaalsContact CE-OD1 3.28Å; K35-D67 WeakPolarHBondContact CE-OD1 3.45Å; K35-D67 IonicContact NZ-OD1 3.65Å; K35-D67 PolarHBondContact NZ-OD1 3.29Å
36	I	89.4	Confident	90.2	Very high	71 Å²	71	69.5 Å²	69.5	36%	0.364	34%	0.34	S	S	.	.	H	α-helix	trans	-61.8	-46.6	172.2	-67.4	165.2	0	0	0	110.2	F31 R32 R33 T39 A40	F31-I36 HydrophobicContact CB-CD1 4.02Å; F31-I36 HydrophobicContact CD1-CD1 4.08Å; F31-I36 HydrophobicContact CD1-CG1 4.46Å; F31-I36 HydrophobicContact CG-CD1 4.35Å; R32-I36 WeakPolarHBondContact O-CG1 3.37Å; R32-I36 PolarHBondContact O-N 2.77Å; R33-I36 PolarHBondContact O-N 3.15Å; I36-T39 PolarHBondContact O-N 2.96Å; I36-A40 WeakPolarHBondContact O-CB 3.24Å; I36-A40 PolarHBondContact O-N 3.16Å
37	A	90.5	Very high	90	Very high	48 Å²	48	77.4 Å²	77.4	40%	0.397	38%	0.382	S	S	.	.	H	α-helix	trans	-61.1	-46.1	177.4	0	0	0	0	0	111.7	R33 W34 T39 A40 I41	R33-A37 WeakPolarHBondContact O-CB 3.38Å; R33-A37 PolarHBondContact O-N 3.45Å; W34-A37 PolarHBondContact O-N 3.49Å; A37-T39 VanDerWaalsContact C-N 3.35Å; A37-T39 PolarHBondContact O-N 3.03Å; A37-A40 PolarHBondContact O-N 2.98Å; A37-I41 WeakPolarHBondContact O-CB 3.3Å; A37-I41 VanDerWaalsContact O-CG1 3.22Å; A37-I41 WeakPolarHBondContact O-CG1 3.43Å; A37-I41 PolarHBondContact O-N 3.31Å
38	L	91.3	Very high	89.8	Confident	73 Å²	73	78.1 Å²	78.1	38%	0.382	39%	0.393	S	S	.	.	H	α-helix	trans	-59.1	-45.5	175	179.1	65.2	0	0	0	111.6	W34 K35 A40 I41 L42	W34-L38 HydrophobicContact CZ3-CD2 4Å; W34-L38 WeakPolarHBondContact O-CB 3.38Å; W34-L38 PolarHBondContact O-N 3.39Å; K35-L38 PolarHBondContact O-N 3.13Å; L38-A40 VanDerWaalsContact C-N 3.34Å; L38-A40 PolarHBondContact O-N 3.42Å; L38-I41 PolarHBondContact O-N 3.13Å; L38-L42 HydrophobicContact CD1-CD1 4.41Å; L38-L42 HydrophobicContact CD1-CG 4.48Å; L38-L42 HydrophobicContact CG-CD1 4.13Å; L38-L42 WeakPolarHBondContact O-CB 3.28Å; L38-L42 VanDerWaalsContact O-CG 3.31Å; L38-L42 WeakPolarHBondContact O-CG 3.31Å; L38-L42 PolarHBondContact O-N 3.32Å
39	T	89.6	Confident	89.5	Confident	7 Å²	7	83 Å²	83	4%	0.043	42%	0.417	C	S	.	.	H	α-helix	trans	-64.1	-39.7	177.8	-60.1	0	0	0	0	111.4	K35 I36 A37 L42 S43 F50 L54 F64 L65	K35-T39 VanDerWaalsContact O-CB 3.31Å; K35-T39 WeakPolarHBondContact O-CB 3.49Å; K35-T39 PolarHBondContact O-N 3.03Å; K35-T39 PolarHBondContact O-OG1 3.36Å; I36-T39 PolarHBondContact O-N 2.96Å; A37-T39 VanDerWaalsContact C-N 3.35Å; A37-T39 PolarHBondContact O-N 3.03Å; T39-L42 PolarHBondContact O-N 2.92Å; T39-S43 VanDerWaalsContact O-CB 3.24Å; T39-S43 WeakPolarHBondContact O-CB 3.24Å; T39-S43 PolarHBondContact O-N 3.25Å; T39-F50 HydrophobicContact CG2-CD1 4.24Å; T39-F50 HydrophobicContact CG2-CE1 4.02Å; T39-L54 HydrophobicContact CG2-CD1 3.56Å; T39-F64 PolarHBondContact OG1-O 3.49Å; T39-L65 HydrophobicContact CG2-CD1 3.95Å; T39-L65 HydrophobicContact CG2-CG 4.29Å
40	A	89.8	Confident	89.3	Confident	50 Å²	50	84.2 Å²	84.2	41%	0.413	42%	0.423	S	S	.	.	H	α-helix	trans	-64.7	-43.8	175.5	0	0	0	0	0	111.4	I36 A37 L38 S43 V44	I36-A40 WeakPolarHBondContact O-CB 3.24Å; I36-A40 PolarHBondContact O-N 3.16Å; A37-A40 PolarHBondContact O-N 2.98Å; L38-A40 VanDerWaalsContact C-N 3.34Å; L38-A40 PolarHBondContact O-N 3.42Å; A40-S43 WeakPolarHBondContact O-CB 3.06Å; A40-S43 PolarHBondContact O-N 3.46Å; A40-V44 WeakPolarHBondContact O-CG2 3.22Å; A40-V44 PolarHBondContact O-N 2.96Å
41	I	91.6	Very high	89.1	Confident	88 Å²	88	84.7 Å²	84.7	45%	0.451	43%	0.428	S	S	.	.	H	α-helix	trans	-59.5	-50.3	174.9	-69.6	164.2	0	0	0	110.4	A37 L38 S43 V44 F45	A37-I41 WeakPolarHBondContact O-CB 3.3Å; A37-I41 VanDerWaalsContact O-CG1 3.22Å; A37-I41 WeakPolarHBondContact O-CG1 3.43Å; A37-I41 PolarHBondContact O-N 3.31Å; L38-I41 PolarHBondContact O-N 3.13Å; I41-S43 VanDerWaalsContact C-N 3.26Å; I41-S43 PolarHBondContact O-N 3.38Å; I41-V44 PolarHBondContact O-N 3Å; I41-F45 HydrophobicContact CG2-CD2 3.58Å; I41-F45 HydrophobicContact CG2-CE2 3.43Å; I41-F45 VanDerWaalsContact CG2-CE2 3.43Å; I41-F45 WeakPolarHBondContact O-CD2 3.36Å; I41-F45 PolarHBondContact O-N 3.5Å
42	L	92	Very high	88.9	Confident	58 Å²	58	81.7 Å²	81.7	30%	0.304	42%	0.416	S	S	.	.	H	α-helix	trans	-60.5	-36.7	176.2	-72	171.3	0	0	0	112	L38 T39 T46 F50	L38-L42 HydrophobicContact CD1-CD1 4.41Å; L38-L42 HydrophobicContact CD1-CG 4.48Å; L38-L42 HydrophobicContact CG-CD1 4.13Å; L38-L42 WeakPolarHBondContact O-CB 3.28Å; L38-L42 VanDerWaalsContact O-CG 3.31Å; L38-L42 WeakPolarHBondContact O-CG 3.31Å; L38-L42 PolarHBondContact O-N 3.32Å; T39-L42 PolarHBondContact O-N 2.92Å; L42-T46 WeakPolarHBondContact O-CB 3.3Å; L42-T46 VanDerWaalsContact O-CG2 3.3Å; L42-T46 WeakPolarHBondContact O-CG2 3.36Å; L42-T46 PolarHBondContact O-N 3.42Å; L42-T46 PolarHBondContact O-OG1 3.37Å; L42-F50 HydrophobicContact CB-CD1 3.66Å; L42-F50 HydrophobicContact CB-CE1 3.95Å; L42-F50 HydrophobicContact CB-CG 4.22Å; L42-F50 HydrophobicContact CD1-CD1 4.3Å; L42-F50 HydrophobicContact CD1-CE1 3.73Å; L42-F50 HydrophobicContact CD1-CZ 3.98Å
43	S	89.6	Confident	88.7	Confident	19 Å²	19	78.4 Å²	78.4	13%	0.133	41%	0.409	C	S	.	.	H	α-helix	trans	-65.6	-44.9	175.9	-165.8	0	0	0	0	111.7	T39 A40 I41 T46 L47 G48 S51	T39-S43 VanDerWaalsContact O-CB 3.24Å; T39-S43 WeakPolarHBondContact O-CB 3.24Å; T39-S43 PolarHBondContact O-N 3.25Å; A40-S43 WeakPolarHBondContact O-CB 3.06Å; A40-S43 PolarHBondContact O-N 3.46Å; I41-S43 VanDerWaalsContact C-N 3.26Å; I41-S43 PolarHBondContact O-N 3.38Å; S43-T46 CarbonylContact O-C 3.54Å; S43-T46 PolarHBondContact O-N 3.24Å; S43-T46 PolarHBondContact O-OG1 2.97Å; S43-L47 PolarHBondContact O-N 2.89Å; S43-G48 PolarHBondContact O-N 3.45Å; S43-S51 VanDerWaalsContact CB-OG 3.31Å; S43-S51 WeakPolarHBondContact CB-OG 3.41Å; S43-S51 PolarHBondContact OG-OG 3.44Å
44	V	90.8	Very high	88.7	Confident	112 Å²	112	67.9 Å²	67.9	68%	0.679	37%	0.37	S	S	*	.	H	α-helix	trans	-61.6	-47.2	175.7	171.8	0	0	0	0	111	A40 I41 T46 L47	A40-V44 WeakPolarHBondContact O-CG2 3.22Å; A40-V44 PolarHBondContact O-N 2.96Å; I41-V44 PolarHBondContact O-N 3Å; V44-T46 PolarHBondContact O-N 2.87Å; V44-L47 PolarHBondContact O-N 3.47Å; V44-L47 VanDerWaalsContact O-N 3.12Å
45	F	89.9	Confident	88.4	Confident	170 Å²	170	66.2 Å²	66.2	75%	0.746	37%	0.369	S	S	*	.	H	α-helix	trans	-62.5	-27.6	178	-81.3	-63.1	0	0	0	113.7	I41	I41-F45 HydrophobicContact CG2-CD2 3.58Å; I41-F45 HydrophobicContact CG2-CE2 3.43Å; I41-F45 VanDerWaalsContact CG2-CE2 3.43Å; I41-F45 WeakPolarHBondContact O-CD2 3.36Å; I41-F45 PolarHBondContact O-N 3.5Å
46	T	87.4	Confident	88.1	Confident	56 Å²	56	69 Å²	69	34%	0.344	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.4	11.5	179	59.9	0	0	0	0	113.2	L42 S43 V44 G48 L49 F50	L42-T46 WeakPolarHBondContact O-CB 3.3Å; L42-T46 VanDerWaalsContact O-CG2 3.3Å; L42-T46 WeakPolarHBondContact O-CG2 3.36Å; L42-T46 PolarHBondContact O-N 3.42Å; L42-T46 PolarHBondContact O-OG1 3.37Å; S43-T46 CarbonylContact O-C 3.54Å; S43-T46 PolarHBondContact O-N 3.24Å; S43-T46 PolarHBondContact O-OG1 2.97Å; V44-T46 PolarHBondContact O-N 2.87Å; T46-G48 PolarHBondContact O-N 3.35Å; T46-G48 VanDerWaalsContact O-N 3.17Å; T46-L49 VanDerWaalsContact O-CB 3.27Å; T46-L49 WeakPolarHBondContact O-CB 3.49Å; T46-L49 PolarHBondContact O-N 2.97Å; T46-F50 HydrophobicContact CG2-CB 4.2Å; T46-F50 WeakPolarHBondContact OG1-CB 3.2Å; T46-F50 PolarHBondContact OG1-N 3.21Å
47	L	84.9	Confident	88	Confident	168 Å²	168	71.5 Å²	71.5	88%	0.88	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.1	36.6	-177	-58.5	173.3	0	0	0	113.2	S43 V44	S43-L47 PolarHBondContact O-N 2.89Å; V44-L47 PolarHBondContact O-N 3.47Å; V44-L47 VanDerWaalsContact O-N 3.12Å
48	G	84.3	Confident	87.8	Confident	29 Å²	29	71 Å²	71	30%	0.299	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	90.9	-11.5	179.2	0	0	0	0	0	115.3	S43 T46 F50 S51 L52	S43-G48 PolarHBondContact O-N 3.45Å; T46-G48 PolarHBondContact O-N 3.35Å; T46-G48 VanDerWaalsContact O-N 3.17Å; G48-F50 VanDerWaalsContact C-N 3.27Å; G48-F50 PolarHBondContact O-N 3.33Å; G48-S51 WeakPolarHBondContact O-CB 3.1Å; G48-S51 PolarHBondContact O-N 2.94Å; G48-S51 VanDerWaalsContact O-N 3.12Å; G48-L52 PolarHBondContact O-N 3.19Å
49	L	84.2	Confident	87.5	Confident	108 Å²	108	68.7 Å²	68.7	57%	0.565	37%	0.368	S	S	*	.	H	α-helix	trans	-59.6	-37.6	-177.7	-169.7	77	0	0	0	112	T46 L52 V53	T46-L49 VanDerWaalsContact O-CB 3.27Å; T46-L49 WeakPolarHBondContact O-CB 3.49Å; T46-L49 PolarHBondContact O-N 2.97Å; L49-L52 HydrophobicContact CD1-CD2 4.3Å; L49-L52 WeakPolarHBondContact O-CB 3.5Å; L49-L52 PolarHBondContact O-N 2.81Å; L49-V53 WeakPolarHBondContact O-CG2 3.48Å; L49-V53 PolarHBondContact O-N 3.37Å; L49-V53 VanDerWaalsContact O-N 3.08Å
50	F	88.1	Confident	87.4	Confident	40 Å²	40	70.3 Å²	70.3	18%	0.175	38%	0.376	C	S	.	.	H	α-helix	trans	-63.2	-47	176.2	-173.3	-114.1	0	0	0	111.8	T39 L42 T46 G48 L52 V53 L54 F64	T39-F50 HydrophobicContact CG2-CD1 4.24Å; T39-F50 HydrophobicContact CG2-CE1 4.02Å; L42-F50 HydrophobicContact CB-CD1 3.66Å; L42-F50 HydrophobicContact CB-CE1 3.95Å; L42-F50 HydrophobicContact CB-CG 4.22Å; L42-F50 HydrophobicContact CD1-CD1 4.3Å; L42-F50 HydrophobicContact CD1-CE1 3.73Å; L42-F50 HydrophobicContact CD1-CZ 3.98Å; T46-F50 HydrophobicContact CG2-CB 4.2Å; T46-F50 WeakPolarHBondContact OG1-CB 3.2Å; T46-F50 PolarHBondContact OG1-N 3.21Å; G48-F50 VanDerWaalsContact C-N 3.27Å; G48-F50 PolarHBondContact O-N 3.33Å; F50-L52 PolarHBondContact O-N 3.44Å; F50-V53 PolarHBondContact O-N 3.24Å; F50-V53 VanDerWaalsContact O-N 3.17Å; F50-L54 HydrophobicContact CD1-CD1 4.01Å; F50-L54 HydrophobicContact CD1-CG 4.47Å; F50-L54 HydrophobicContact CE1-CD1 3.68Å; F50-L54 HydrophobicContact CE1-CD2 4.49Å; F50-L54 HydrophobicContact CE1-CG 4.25Å; F50-L54 HydrophobicContact CZ-CD1 4.18Å; F50-L54 HydrophobicContact CZ-CD2 4.17Å; F50-L54 HydrophobicContact CZ-CG 4.37Å; F50-L54 WeakPolarHBondContact O-CG 3.4Å; F50-L54 PolarHBondContact O-N 2.86Å; F50-F64 HydrophobicContact CE1-CD1 4.24Å; F50-F64 HydrophobicContact CE1-CG 4.34Å; F50-F64 HydrophobicContact CE2-CE1 4.49Å; F50-F64 HydrophobicContact CE2-CE2 4.37Å; F50-F64 HydrophobicContact CE2-CZ 4.28Å; F50-F64 AromaticContact CZ-CD1 3.68Å; F50-F64 HydrophobicContact CZ-CD1 3.68Å; F50-F64 AromaticContact CZ-CD2 3.93Å; F50-F64 HydrophobicContact CZ-CD2 3.93Å; F50-F64 AromaticContact CZ-CE1 3.71Å; F50-F64 HydrophobicContact CZ-CE1 3.71Å; F50-F64 AromaticContact CZ-CE2 3.96Å; F50-F64 HydrophobicContact CZ-CE2 3.96Å; F50-F64 AromaticContact CZ-CG 3.79Å; F50-F64 HydrophobicContact CZ-CG 3.79Å; F50-F64 AromaticContact CZ-CZ 3.85Å; F50-F64 HydrophobicContact CZ-CZ 3.85Å
51	S	87.3	Confident	87.4	Confident	51 Å²	51	70.2 Å²	70.2	36%	0.357	37%	0.367	S	S	.	.	H	α-helix	trans	-59.4	-35.7	175.8	-70.5	0	0	0	0	112.5	S43 G48 L54 H55	S43-S51 VanDerWaalsContact CB-OG 3.31Å; S43-S51 WeakPolarHBondContact CB-OG 3.41Å; S43-S51 PolarHBondContact OG-OG 3.44Å; G48-S51 WeakPolarHBondContact O-CB 3.1Å; G48-S51 PolarHBondContact O-N 2.94Å; G48-S51 VanDerWaalsContact O-N 3.12Å; S51-L54 PolarHBondContact O-N 3.22Å; S51-H55 PolarHBondContact O-N 3.47Å
52	L	86.5	Confident	87.2	Confident	24 Å²	24	66 Å²	66	13%	0.126	35%	0.345	C	S	.	.	H	α-helix	trans	-64	-44.7	176.4	-169.3	73.9	0	0	0	111.9	G48 L49 F50 L54 H55 W56 I188 M193	G48-L52 PolarHBondContact O-N 3.19Å; L49-L52 HydrophobicContact CD1-CD2 4.3Å; L49-L52 WeakPolarHBondContact O-CB 3.5Å; L49-L52 PolarHBondContact O-N 2.81Å; F50-L52 PolarHBondContact O-N 3.44Å; L52-L54 VanDerWaalsContact C-N 3.32Å; L52-L54 PolarHBondContact O-N 3.48Å; L52-H55 WeakPolarHBondContact O-CB 3.29Å; L52-H55 PolarHBondContact O-N 3.07Å; L52-W56 HydrophobicContact CD1-CZ2 3.99Å; L52-W56 HydrophobicContact CD2-CH2 3.39Å; L52-W56 HydrophobicContact CD2-CZ2 3.51Å; L52-W56 HydrophobicContact CD2-CZ3 4.13Å; L52-W56 HydrophobicContact CG-CD2 4.35Å; L52-W56 HydrophobicContact CG-CH2 3.76Å; L52-W56 HydrophobicContact CG-CZ2 3.52Å; L52-W56 HydrophobicContact CG-CZ3 4.25Å; L52-W56 PolarHBondContact O-N 3.45Å; L52-I188 HydrophobicContact CD1-CB 4.36Å; L52-I188 HydrophobicContact CD1-CG1 4.28Å; L52-I188 HydrophobicContact CD1-CG2 3.64Å; L52-M193 HydrophobicContact CD2-CB 4.41Å; L52-M193 HydrophobicContact CD2-CG 3.88Å; L52-M193 HydrophobicContact CD2-SD 3.96Å
53	V	86.3	Confident	87	Confident	55 Å²	55	65.6 Å²	65.6	33%	0.333	34%	0.342	S	S	.	.	H	α-helix	trans	-62.7	-40.8	175.6	173.4	0	0	0	0	111.1	L49 F50 H55 W56 K57 L60	L49-V53 WeakPolarHBondContact O-CG2 3.48Å; L49-V53 PolarHBondContact O-N 3.37Å; L49-V53 VanDerWaalsContact O-N 3.08Å; F50-V53 PolarHBondContact O-N 3.24Å; F50-V53 VanDerWaalsContact O-N 3.17Å; V53-H55 VanDerWaalsContact C-N 3.33Å; V53-W56 PolarHBondContact O-N 3.46Å; V53-K57 PolarHBondContact O-N 2.88Å; V53-L60 HydrophobicContact CG1-CD1 4.25Å
54	L	88	Confident	87	Confident	5 Å²	5	68 Å²	68	3%	0.026	35%	0.35	C	S	.	.	H	α-helix	trans	-63.8	-39.2	175.1	-61.4	-177.9	0	0	0	111.6	T39 F50 S51 L52 W56 K57 L60 F61 F64 L65	T39-L54 HydrophobicContact CG2-CD1 3.56Å; F50-L54 HydrophobicContact CD1-CD1 4.01Å; F50-L54 HydrophobicContact CD1-CG 4.47Å; F50-L54 HydrophobicContact CE1-CD1 3.68Å; F50-L54 HydrophobicContact CE1-CD2 4.49Å; F50-L54 HydrophobicContact CE1-CG 4.25Å; F50-L54 HydrophobicContact CZ-CD1 4.18Å; F50-L54 HydrophobicContact CZ-CD2 4.17Å; F50-L54 HydrophobicContact CZ-CG 4.37Å; F50-L54 WeakPolarHBondContact O-CG 3.4Å; F50-L54 PolarHBondContact O-N 2.86Å; S51-L54 PolarHBondContact O-N 3.22Å; L52-L54 VanDerWaalsContact C-N 3.32Å; L52-L54 PolarHBondContact O-N 3.48Å; L54-W56 VanDerWaalsContact C-N 3.34Å; L54-W56 PolarHBondContact O-N 2.82Å; L54-K57 CarbonylContact O-C 3.44Å; L54-K57 VanDerWaalsContact O-C 3.27Å; L54-K57 PolarHBondContact O-N 3.27Å; L54-K57 VanDerWaalsContact O-O 3.11Å; L54-L60 HydrophobicContact CD2-CB 3.72Å; L54-F61 HydrophobicContact CB-CB 4.35Å; L54-F61 HydrophobicContact CB-CD2 4.23Å; L54-F64 HydrophobicContact CD1-CB 4.21Å; L54-F64 HydrophobicContact CD2-CB 4.26Å; L54-F64 HydrophobicContact CD2-CD2 3.7Å; L54-F64 HydrophobicContact CD2-CE2 4.46Å; L54-F64 HydrophobicContact CD2-CG 4.26Å; L54-L65 HydrophobicContact CD1-CD1 3.72Å
55	H	85.7	Confident	86.9	Confident	126 Å²	126	63.7 Å²	63.7	58%	0.583	32%	0.323	S	S	*	.	H	α-helix	trans	-60	-42.3	174.4	179.2	75.9	0	0	0	112.2	S51 L52 V53 K57	S51-H55 PolarHBondContact O-N 3.47Å; L52-H55 WeakPolarHBondContact O-CB 3.29Å; L52-H55 PolarHBondContact O-N 3.07Å; V53-H55 VanDerWaalsContact C-N 3.33Å; H55-K57 VanDerWaalsContact C-N 3.31Å; H55-K57 PolarHBondContact O-N 3.12Å
56	W	83.4	Confident	86.9	Confident	90 Å²	90	55.7 Å²	55.7	34%	0.341	29%	0.288	S	S	.	.	H	α-helix	trans	-73.8	-18.3	177.1	-61.1	-29.1	0	0	0	114	L52 V53 L54 I188 P190 M193	L52-W56 HydrophobicContact CD1-CZ2 3.99Å; L52-W56 HydrophobicContact CD2-CH2 3.39Å; L52-W56 HydrophobicContact CD2-CZ2 3.51Å; L52-W56 HydrophobicContact CD2-CZ3 4.13Å; L52-W56 HydrophobicContact CG-CD2 4.35Å; L52-W56 HydrophobicContact CG-CH2 3.76Å; L52-W56 HydrophobicContact CG-CZ2 3.52Å; L52-W56 HydrophobicContact CG-CZ3 4.25Å; L52-W56 PolarHBondContact O-N 3.45Å; V53-W56 PolarHBondContact O-N 3.46Å; L54-W56 VanDerWaalsContact C-N 3.34Å; L54-W56 PolarHBondContact O-N 2.82Å; W56-I188 VanDerWaalsContact CZ2-O 3.23Å; W56-I188 WeakPolarHBondContact CZ2-O 3.41Å; W56-I188 PolarHBondContact NE1-O 3.2Å; W56-P190 HydrophobicContact CD2-CG 4.11Å; W56-P190 HydrophobicContact CE3-CG 4.32Å; W56-P190 HydrophobicContact CH2-CB 3.96Å; W56-P190 HydrophobicContact CH2-CG 3.89Å; W56-P190 HydrophobicContact CZ2-CB 4.07Å; W56-P190 HydrophobicContact CZ2-CG 3.64Å; W56-P190 HydrophobicContact CZ3-CB 4.45Å; W56-P190 HydrophobicContact CZ3-CG 4.23Å; W56-M193 HydrophobicContact CZ2-CG 4.22Å
57	K	87.5	Confident	87	Confident	124 Å²	124	55.1 Å²	55.1	54%	0.539	28%	0.283	S	S	.	.			trans	-128.7	90.1	-176	-64.9	-63	-178.7	-171.8	0	111.7	V53 L54 H55 V59 L60 F61	V53-K57 PolarHBondContact O-N 2.88Å; L54-K57 CarbonylContact O-C 3.44Å; L54-K57 VanDerWaalsContact O-C 3.27Å; L54-K57 PolarHBondContact O-N 3.27Å; L54-K57 VanDerWaalsContact O-O 3.11Å; H55-K57 VanDerWaalsContact C-N 3.31Å; H55-K57 PolarHBondContact O-N 3.12Å; K57-V59 PolarHBondContact O-N 3Å; K57-V59 VanDerWaalsContact O-N 3.1Å; K57-L60 HydrophobicContact CB-CB 4Å; K57-L60 HydrophobicContact CB-CD1 3.79Å; K57-L60 HydrophobicContact CB-CG 3.92Å; K57-L60 HydrophobicContact CG-CD1 4.06Å; K57-L60 PolarHBondContact O-N 3.24Å; K57-F61 PolarHBondContact O-N 3.23Å
58	P	84.9	Confident	87.1	Confident	37 Å²	37	50.7 Å²	50.7	24%	0.24	27%	0.271	C	S	.	.	H	α-helix	trans	-55.4	-32.8	-180	-27.2	34.6	0	0	0	114.4	F61 V62 L78 W86	P58-F61 WeakPolarHBondContact O-CB 3.45Å; P58-F61 PolarHBondContact O-N 2.79Å; P58-V62 WeakPolarHBondContact O-CG2 3.39Å; P58-V62 PolarHBondContact O-N 3.33Å; P58-V62 VanDerWaalsContact O-N 3.08Å; P58-L78 HydrophobicContact CB-CD1 4.37Å; P58-W86 HydrophobicContact CB-CB 4.39Å
59	V	86.6	Confident	87.2	Confident	25 Å²	25	50.5 Å²	50.5	15%	0.152	27%	0.265	C	S	.	.	H	α-helix	trans	-65.4	-45	176.8	179.5	0	0	0	0	111.2	V8 K57 V62 Q63 W86	V8-V59 HydrophobicContact CB-CG1 4.16Å; V8-V59 HydrophobicContact CG1-CG1 3.92Å; K57-V59 PolarHBondContact O-N 3Å; K57-V59 VanDerWaalsContact O-N 3.1Å; V59-V62 PolarHBondContact O-N 3.02Å; V59-Q63 WeakPolarHBondContact O-CG 3.38Å; V59-Q63 PolarHBondContact O-N 3.11Å; V59-Q63 VanDerWaalsContact O-N 3.14Å; V59-W86 HydrophobicContact CG2-CB 3.98Å; V59-W86 HydrophobicContact CG2-CD2 3.62Å; V59-W86 HydrophobicContact CG2-CE3 4.31Å; V59-W86 HydrophobicContact CG2-CG 3.45Å; V59-W86 VanDerWaalsContact CG2-CG 3.45Å
60	L	87.3	Confident	87.3	Confident	41 Å²	41	49.8 Å²	49.8	22%	0.215	27%	0.266	C	S	.	.	H	α-helix	trans	-67.4	-40.1	176.1	-65.3	179.3	0	0	0	110.6	L5 V53 L54 K57 V62 Q63 F64	L5-L60 HydrophobicContact CD2-CD2 4.1Å; V53-L60 HydrophobicContact CG1-CD1 4.25Å; L54-L60 HydrophobicContact CD2-CB 3.72Å; K57-L60 HydrophobicContact CB-CB 4Å; K57-L60 HydrophobicContact CB-CD1 3.79Å; K57-L60 HydrophobicContact CB-CG 3.92Å; K57-L60 HydrophobicContact CG-CD1 4.06Å; K57-L60 PolarHBondContact O-N 3.24Å; L60-V62 VanDerWaalsContact C-N 3.29Å; L60-V62 PolarHBondContact O-N 2.86Å; L60-Q63 PolarHBondContact O-N 3.18Å; L60-Q63 VanDerWaalsContact O-N 3.14Å; L60-F64 WeakPolarHBondContact O-CD2 3.47Å; L60-F64 PolarHBondContact O-N 3.16Å
61	F	89.6	Confident	87.3	Confident	48 Å²	48	48.6 Å²	48.6	21%	0.211	26%	0.262	C	S	.	.	H	α-helix	trans	-51.6	-50.8	175.3	-179.5	-84.9	0	0	0	111.4	F31 L54 K57 P58 Q63 F64 L65 L88	F31-F61 HydrophobicContact CE1-CE1 4.31Å; F31-F61 HydrophobicContact CE1-CZ 4.39Å; L54-F61 HydrophobicContact CB-CB 4.35Å; L54-F61 HydrophobicContact CB-CD2 4.23Å; K57-F61 PolarHBondContact O-N 3.23Å; P58-F61 WeakPolarHBondContact O-CB 3.45Å; P58-F61 PolarHBondContact O-N 2.79Å; F61-Q63 PolarHBondContact O-N 3.32Å; F61-F64 PolarHBondContact O-N 3.27Å; F61-L65 HydrophobicContact CD2-CD1 3.92Å; F61-L65 HydrophobicContact CE1-CD2 4.36Å; F61-L65 HydrophobicContact CE2-CD1 4.06Å; F61-L65 HydrophobicContact CE2-CD2 3.88Å; F61-L65 HydrophobicContact CG-CD1 4.16Å; F61-L65 HydrophobicContact CZ-CD1 4.43Å; F61-L65 HydrophobicContact CZ-CD2 3.77Å; F61-L65 WeakPolarHBondContact O-CB 3.3Å; F61-L65 WeakPolarHBondContact O-CD1 3.17Å; F61-L65 PolarHBondContact O-N 3.14Å; F61-L88 HydrophobicContact CD1-CD1 4.28Å; F61-L88 HydrophobicContact CD1-CD2 3.77Å; F61-L88 HydrophobicContact CE1-CD2 3.53Å; F61-L88 HydrophobicContact CZ-CD2 4.25Å
62	V	88.1	Confident	87.2	Confident	1 Å²	1	50.7 Å²	50.7	1%	0.006	27%	0.266	C	S	.	.	H	α-helix	trans	-66.5	-38.2	-179.7	174.3	0	0	0	0	111.9	Y29 P58 V59 L60 F64 C66 L78 L88	Y29-V62 HydrophobicContact CD1-CG1 3.06Å; Y29-V62 HydrophobicContact CD2-CG1 3.58Å; Y29-V62 HydrophobicContact CE1-CG1 3.19Å; Y29-V62 HydrophobicContact CE2-CG1 3.67Å; Y29-V62 HydrophobicContact CG-CG1 3.27Å; Y29-V62 VanDerWaalsContact CZ-CG1 3.5Å; P58-V62 WeakPolarHBondContact O-CG2 3.39Å; P58-V62 PolarHBondContact O-N 3.33Å; P58-V62 VanDerWaalsContact O-N 3.08Å; V59-V62 PolarHBondContact O-N 3.02Å; L60-V62 VanDerWaalsContact C-N 3.29Å; L60-V62 PolarHBondContact O-N 2.86Å; V62-F64 PolarHBondContact O-N 3.4Å; V62-C66 HydrophobicContact CG1-CB 4.12Å; V62-C66 CarbonylContact O-C 3.55Å; V62-C66 WeakPolarHBondContact O-CA 3.11Å; V62-C66 WeakPolarHBondContact O-CB 3.4Å; V62-C66 PolarHBondContact O-N 2.93Å; V62-C66 VanDerWaalsContact O-O 3.05Å; V62-L78 HydrophobicContact CG2-CD1 4.36Å; V62-L88 HydrophobicContact CG2-CD1 3.33Å
63	Q	86.5	Confident	87.3	Confident	49 Å²	49	52.7 Å²	52.7	23%	0.229	28%	0.282	C	S	.	.	H	α-helix	trans	-61	-43.8	177.2	-74	174.9	-5.5	0	0	112.8	V8 K35 V59 L60 F61	V8-Q63 HydrophobicContact CG2-CG 3.43Å; V8-Q63 VanDerWaalsContact CG2-CG 3.43Å; K35-Q63 PolarHBondContact NZ-O 3.08Å; V59-Q63 WeakPolarHBondContact O-CG 3.38Å; V59-Q63 PolarHBondContact O-N 3.11Å; V59-Q63 VanDerWaalsContact O-N 3.14Å; L60-Q63 PolarHBondContact O-N 3.18Å; L60-Q63 VanDerWaalsContact O-N 3.14Å; F61-Q63 PolarHBondContact O-N 3.32Å
64	F	89	Confident	87.5	Confident	70 Å²	70	50 Å²	50	31%	0.307	27%	0.266	S	S	.	.	H	α-helix	trans	-84.7	-28.9	-174.2	-80.9	-78.3	0	0	0	114	K35 T39 F50 L54 L60 F61 V62	K35-F64 VanDerWaalsContact CB-O 3.24Å; K35-F64 WeakPolarHBondContact CB-O 3.31Å; T39-F64 PolarHBondContact OG1-O 3.49Å; F50-F64 HydrophobicContact CE1-CD1 4.24Å; F50-F64 HydrophobicContact CE1-CG 4.34Å; F50-F64 HydrophobicContact CE2-CE1 4.49Å; F50-F64 HydrophobicContact CE2-CE2 4.37Å; F50-F64 HydrophobicContact CE2-CZ 4.28Å; F50-F64 AromaticContact CZ-CD1 3.68Å; F50-F64 HydrophobicContact CZ-CD1 3.68Å; F50-F64 AromaticContact CZ-CD2 3.93Å; F50-F64 HydrophobicContact CZ-CD2 3.93Å; F50-F64 AromaticContact CZ-CE1 3.71Å; F50-F64 HydrophobicContact CZ-CE1 3.71Å; F50-F64 AromaticContact CZ-CE2 3.96Å; F50-F64 HydrophobicContact CZ-CE2 3.96Å; F50-F64 AromaticContact CZ-CG 3.79Å; F50-F64 HydrophobicContact CZ-CG 3.79Å; F50-F64 AromaticContact CZ-CZ 3.85Å; F50-F64 HydrophobicContact CZ-CZ 3.85Å; L54-F64 HydrophobicContact CD1-CB 4.21Å; L54-F64 HydrophobicContact CD2-CB 4.26Å; L54-F64 HydrophobicContact CD2-CD2 3.7Å; L54-F64 HydrophobicContact CD2-CE2 4.46Å; L54-F64 HydrophobicContact CD2-CG 4.26Å; L60-F64 WeakPolarHBondContact O-CD2 3.47Å; L60-F64 PolarHBondContact O-N 3.16Å; F61-F64 PolarHBondContact O-N 3.27Å; V62-F64 PolarHBondContact O-N 3.4Å
65	L	89.5	Confident	87.6	Confident	21 Å²	21	51.6 Å²	51.6	11%	0.11	28%	0.277	C	S	.	.	H	α-helix	trans	-103.6	-23.1	-177.6	-72.7	89.3	0	0	0	114.3	F31 R32 T39 L54 F61	F31-L65 HydrophobicContact CD1-CB 4.26Å; F31-L65 HydrophobicContact CE1-CB 4.25Å; F31-L65 HydrophobicContact CE1-CD2 4.2Å; R32-L65 PolarHBondContact N-O 3.17Å; T39-L65 HydrophobicContact CG2-CD1 3.95Å; T39-L65 HydrophobicContact CG2-CG 4.29Å; L54-L65 HydrophobicContact CD1-CD1 3.72Å; F61-L65 HydrophobicContact CD2-CD1 3.92Å; F61-L65 HydrophobicContact CE1-CD2 4.36Å; F61-L65 HydrophobicContact CE2-CD1 4.06Å; F61-L65 HydrophobicContact CE2-CD2 3.88Å; F61-L65 HydrophobicContact CG-CD1 4.16Å; F61-L65 HydrophobicContact CZ-CD1 4.43Å; F61-L65 HydrophobicContact CZ-CD2 3.77Å; F61-L65 WeakPolarHBondContact O-CB 3.3Å; F61-L65 WeakPolarHBondContact O-CD1 3.17Å; F61-L65 PolarHBondContact O-N 3.14Å
66	C	90.3	Very high	87.9	Confident	2 Å²	2	46.1 Å²	46.1	1%	0.014	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	161.2	-166.4	-54.4	0	0	0	0	113.3	Y29 T30 K35 V62	Y29-C66 HydrophobicContact CD1-CB 4.28Å; T30-C66 CarbonylContact O-C 3.52Å; T30-C66 WeakPolarHBondContact O-CA 3.34Å; T30-C66 VanDerWaalsContact O-CB 3.29Å; T30-C66 WeakPolarHBondContact O-CB 3.28Å; K35-C66 PolarHBondContact NZ-O 3.32Å; V62-C66 HydrophobicContact CG1-CB 4.12Å; V62-C66 CarbonylContact O-C 3.55Å; V62-C66 WeakPolarHBondContact O-CA 3.11Å; V62-C66 WeakPolarHBondContact O-CB 3.4Å; V62-C66 PolarHBondContact O-N 2.93Å; V62-C66 VanDerWaalsContact O-O 3.05Å
67	D	88.3	Confident	88.3	Confident	43 Å²	43	41.9 Å²	41.9	23%	0.23	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	148.1	165.7	-73.1	-17.1	0	0	0	110.3	Y29 T30 R32 K35	Y29-D67 WeakPolarHBondContact CA-O 3.36Å; Y29-D67 WeakPolarHBondContact CD1-O 3.47Å; T30-D67 PolarHBondContact N-O 3.45Å; T30-D67 PolarHBondContact O-N 3.36Å; R32-D67 HydrophobicContact CG-CB 4.24Å; R32-D67 WeakPolarHBondContact CG-OD2 3.46Å; R32-D67 IonicContact CZ-OD2 3.39Å; R32-D67 IonicContact NE-OD2 3.64Å; R32-D67 PolarHBondContact NE-OD2 2.96Å; R32-D67 IonicContact NH2-OD2 2.65Å; K35-D67 VanDerWaalsContact CE-OD1 3.28Å; K35-D67 WeakPolarHBondContact CE-OD1 3.45Å; K35-D67 IonicContact NZ-OD1 3.65Å; K35-D67 PolarHBondContact NZ-OD1 3.29Å
68	A	87.5	Confident	88.5	Confident	76 Å²	76	36 Å²	36	63%	0.628	21%	0.21	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-64.2	135.7	170.8	0	0	0	0	0	109.7	Y29	Y29-A68 HydrophobicContact CD1-CB 4.28Å; Y29-A68 HydrophobicContact CE1-CB 3.86Å
69	C	87.5	Confident	88.7	Confident	25 Å²	25	34.2 Å²	34.2	17%	0.169	20%	0.199	C	C	.	.			trans	-145.1	160.9	179.3	63.8	0	0	0	0	110.6	G28 Y29 T30 A74	G28-C69 CarbonylContact C-O 3.08Å; G28-C69 VanDerWaalsContact C-SG 3.56Å; G28-C69 PolarHBondContact O-N 3.04Å; Y29-C69 VanDerWaalsContact CA-SG 3.5Å; Y29-C69 PolarHBondContact N-SG 2.65Å; T30-C69 HydrophobicContact CG2-CB 4.2Å; C69-A74 VanDerWaalsContact SG-CA 3.59Å
70	P	86.4	Confident	88.7	Confident	93 Å²	93	36 Å²	36	60%	0.604	20%	0.203	S	C	*	.			trans	-56.4	142.9	171.4	-22.9	33.6	0	0	0	111.2	E72 S73 A74	P70-E72 PolarHBondContact O-N 3.03Å; P70-E72 VanDerWaalsContact O-N 3.12Å; P70-S73 PolarHBondContact O-N 3.2Å; P70-S73 PolarHBondContact O-OG 3.1Å; P70-A74 PolarHBondContact O-N 2.92Å
71	L	86.5	Confident	88.4	Confident	14 Å²	14	34.8 Å²	34.8	7%	0.073	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	-54.7	-32.4	-179.1	-74.6	172	0	0	0	113.1	V14 V26 S73 A74 V77 W127 F134	V14-L71 HydrophobicContact CB-CD1 3.69Å; V14-L71 HydrophobicContact CG1-CD1 4.25Å; V14-L71 HydrophobicContact CG2-CD1 3.52Å; V26-L71 HydrophobicContact CG1-CD2 3.83Å; L71-S73 VanDerWaalsContact C-N 3.26Å; L71-S73 PolarHBondContact O-N 2.83Å; L71-A74 WeakPolarHBondContact O-CB 3.48Å; L71-A74 PolarHBondContact O-N 3.23Å; L71-V77 HydrophobicContact CD2-CG1 4Å; L71-W127 HydrophobicContact CB-CH2 4.02Å; L71-W127 HydrophobicContact CB-CZ3 3.58Å; L71-F134 HydrophobicContact CB-CD2 4.42Å; L71-F134 HydrophobicContact CB-CE2 4.03Å; L71-F134 HydrophobicContact CD1-CD2 4.45Å; L71-F134 HydrophobicContact CD2-CD2 4.39Å; L71-F134 HydrophobicContact CD2-CE2 4.16Å
72	E	86.7	Confident	87.5	Confident	95 Å²	95	37 Å²	37	44%	0.444	21%	0.21	S	C	.	.	G	3₁₀ helix	trans	-56.1	-38.6	175.7	-171.5	173.6	-175.7	0	0	112.9	P70 R116 W127	P70-E72 PolarHBondContact O-N 3.03Å; P70-E72 VanDerWaalsContact O-N 3.12Å; E72-R116 PolarHBondContact O-NE 2.87Å; E72-R116 VanDerWaalsContact O-NE 3.17Å; E72-R116 PolarHBondContact O-NH1 3.49Å; E72-R116 PolarHBondContact O-NH2 3.05Å; E72-R116 VanDerWaalsContact O-NH2 3.13Å; E72-W127 HydrophobicContact CB-CH2 3.79Å; E72-W127 HydrophobicContact CB-CZ2 3.42Å; E72-W127 VanDerWaalsContact CB-CZ2 3.42Å; E72-W127 HydrophobicContact CG-CZ2 3.71Å
73	S	87.8	Confident	86.4	Confident	66 Å²	66	38.3 Å²	38.3	46%	0.462	22%	0.219	S	C	.	.	G	3₁₀ helix	trans	-101.6	-0	-177	65.7	0	0	0	0	113.7	P70 L71 S75 R116	P70-S73 PolarHBondContact O-N 3.2Å; P70-S73 PolarHBondContact O-OG 3.1Å; L71-S73 VanDerWaalsContact C-N 3.26Å; L71-S73 PolarHBondContact O-N 2.83Å; S73-S75 PolarHBondContact O-N 2.94Å; S73-R116 VanDerWaalsContact C-NH2 3.3Å
74	A	89.7	Confident	85.8	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	24%	0.24	C	C	.	.			trans	-73.5	123.8	-170.3	0	0	0	0	0	112.7	G28 C69 P70 L71 I76 V91 R116	G28-A74 VanDerWaalsContact CA-CB 3.44Å; C69-A74 VanDerWaalsContact SG-CA 3.59Å; P70-A74 PolarHBondContact O-N 2.92Å; L71-A74 WeakPolarHBondContact O-CB 3.48Å; L71-A74 PolarHBondContact O-N 3.23Å; A74-I76 VanDerWaalsContact C-N 3.34Å; A74-V91 WeakPolarHBondContact O-CB 3.48Å; A74-V91 WeakPolarHBondContact O-CG2 3.14Å; A74-R116 PolarHBondContact O-NH2 2.79Å
75	S	90.7	Very high	85.1	Confident	38 Å²	38	46.7 Å²	46.7	27%	0.266	25%	0.248	S	C	.	.	S	Bend	trans	-77.7	-24.8	171.4	59.8	0	0	0	0	112.6	Y29 T30 S73 V91	Y29-S75 PolarHBondContact O-N 3.23Å; Y29-S75 VanDerWaalsContact O-N 3.12Å; Y29-S75 PolarHBondContact O-OG 3.48Å; T30-S75 WeakPolarHBondContact CA-OG 3.29Å; S73-S75 PolarHBondContact O-N 2.94Å; S75-V91 PolarHBondContact O-N 3.39Å
76	I	92.3	Very high	84.9	Confident	11 Å²	11	49.1 Å²	49.1	6%	0.056	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	142.6	-178.8	-70.3	-174.8	0	0	0	108.4	Y29 F31 A74 L88 R89	Y29-I76 PolarHBondContact N-O 3.47Å; Y29-I76 PolarHBondContact O-N 3.47Å; Y29-I76 VanDerWaalsContact O-O 3.11Å; F31-I76 HydrophobicContact CD2-CD1 4.16Å; F31-I76 HydrophobicContact CE1-CD1 4.09Å; F31-I76 HydrophobicContact CE2-CD1 3.17Å; F31-I76 HydrophobicContact CE2-CG1 3.94Å; F31-I76 HydrophobicContact CZ-CD1 3.13Å; F31-I76 HydrophobicContact CZ-CG1 4.34Å; A74-I76 VanDerWaalsContact C-N 3.34Å; I76-L88 HydrophobicContact CD1-CD2 4.31Å; I76-L88 HydrophobicContact CG2-CD1 3.46Å; I76-L88 VanDerWaalsContact CG2-CD1 3.46Å; I76-L88 HydrophobicContact CG2-CD2 4.26Å; I76-L88 HydrophobicContact CG2-CG 3.62Å; I76-R89 CarbonylContact C-O 3.32Å; I76-R89 WeakPolarHBondContact CA-O 3.24Å; I76-R89 WeakPolarHBondContact CG2-O 3.36Å
77	V	91.5	Very high	84.7	Confident	0 Å²	0	50.3 Å²	50.3	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	136.3	169.3	-67	0	0	0	0	110.8	V26 W27 L71 V79 R89 V91 F118 F134	V26-V77 HydrophobicContact CG1-CB 3.69Å; V26-V77 HydrophobicContact CG1-CG1 3.82Å; V26-V77 HydrophobicContact CG1-CG2 4.36Å; W27-V77 CarbonylContact O-C 2.95Å; W27-V77 VanDerWaalsContact O-CA 3.29Å; W27-V77 WeakPolarHBondContact O-CA 3.24Å; L71-V77 HydrophobicContact CD2-CG1 4Å; V77-V79 HydrophobicContact CG2-CG2 4.16Å; V77-R89 HydrophobicContact CG2-CB 3.86Å; V77-R89 PolarHBondContact N-O 2.73Å; V77-R89 PolarHBondContact O-N 3.02Å; V77-V91 HydrophobicContact CB-CG2 4.46Å; V77-V91 HydrophobicContact CG1-CG2 3.66Å; V77-V91 HydrophobicContact CG2-CG2 4.31Å; V77-F118 HydrophobicContact CG2-CB 4.17Å; V77-F118 HydrophobicContact CG2-CD1 4.05Å; V77-F118 HydrophobicContact CG2-CD2 3.94Å; V77-F118 HydrophobicContact CG2-CE1 4.42Å; V77-F118 HydrophobicContact CG2-CE2 4.34Å; V77-F118 HydrophobicContact CG2-CG 3.79Å; V77-F134 HydrophobicContact CG1-CE2 4.34Å
78	L	91.5	Very high	84.8	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	118.2	168.7	-177.1	66	0	0	0	107.1	V8 W27 Y29 P58 V62 W86 L88	V8-L78 HydrophobicContact CG1-CD2 4.49Å; W27-L78 HydrophobicContact CB-CB 4.48Å; W27-L78 PolarHBondContact N-O 2.88Å; W27-L78 PolarHBondContact O-N 2.95Å; Y29-L78 HydrophobicContact CD2-CB 3.88Å; Y29-L78 HydrophobicContact CE2-CB 3.66Å; Y29-L78 HydrophobicContact CE2-CD2 3.93Å; Y29-L78 HydrophobicContact CE2-CG 4.46Å; P58-L78 HydrophobicContact CB-CD1 4.37Å; V62-L78 HydrophobicContact CG2-CD1 4.36Å; L78-W86 HydrophobicContact CD1-CB 4.32Å; L78-W86 HydrophobicContact CD1-CE3 3.93Å; L78-W86 HydrophobicContact CD2-CE3 3.55Å; L78-W86 HydrophobicContact CD2-CZ3 3.55Å; L78-W86 HydrophobicContact CG-CE3 3.54Å; L78-W86 HydrophobicContact CG-CZ3 3.84Å; L78-L88 HydrophobicContact CD1-CD1 4.38Å
79	V	89.3	Confident	85.1	Confident	0 Å²	0	51.5 Å²	51.5	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	128.1	-177.4	178.1	0	0	0	0	108.9	I24 V26 V77 W86 S87 R89 F118 Y120	I24-V79 HydrophobicContact CB-CG1 3.98Å; I24-V79 HydrophobicContact CD1-CG1 3.93Å; I24-V79 HydrophobicContact CG2-CG1 4.03Å; V26-V79 HydrophobicContact CG1-CG2 4.48Å; V26-V79 HydrophobicContact CG2-CG2 4.47Å; V77-V79 HydrophobicContact CG2-CG2 4.16Å; V79-W86 WeakPolarHBondContact O-CA 3.47Å; V79-S87 PolarHBondContact N-O 3.19Å; V79-S87 PolarHBondContact O-N 3.35Å; V79-R89 HydrophobicContact CG2-CG 4.5Å; V79-F118 HydrophobicContact CG2-CE2 4.28Å; V79-Y120 HydrophobicContact CB-CD2 4.33Å; V79-Y120 HydrophobicContact CB-CE2 4.32Å; V79-Y120 HydrophobicContact CG1-CD2 3.93Å; V79-Y120 HydrophobicContact CG1-CE1 4.34Å; V79-Y120 HydrophobicContact CG1-CE2 3.75Å; V79-Y120 HydrophobicContact CG1-CG 4.32Å; V79-Y120 HydrophobicContact CG2-CD2 4.47Å
80	R	87.3	Confident	85.3	Confident	64 Å²	64	58.3 Å²	58.3	24%	0.242	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	128.5	169.3	-166	-173.4	87	-174.1	7.1	109.7	L25 W27 R85 W86	L25-R80 HydrophobicContact CB-CB 4.47Å; L25-R80 PolarHBondContact N-O 3.2Å; L25-R80 PolarHBondContact O-N 2.94Å; W27-R80 HydrophobicContact CH2-CB 4.04Å; W27-R80 HydrophobicContact CZ3-CB 3.56Å; R80-R85 WeakPolarHBondContact CA-O 3.37Å; R80-W86 HydrophobicContact CB-CD2 4.36Å; R80-W86 HydrophobicContact CB-CE3 3.9Å; R80-W86 HydrophobicContact CB-CH2 4.22Å; R80-W86 HydrophobicContact CB-CZ3 3.85Å; R80-W86 HydrophobicContact CG-CD2 4.26Å; R80-W86 HydrophobicContact CG-CE3 4.28Å; R80-W86 HydrophobicContact CG-CH2 4.33Å; R80-W86 HydrophobicContact CG-CZ2 4.23Å; R80-W86 HydrophobicContact CG-CZ3 4.34Å
81	D	80.1	Confident	85.6	Confident	14 Å²	14	54.5 Å²	54.5	8%	0.075	25%	0.25	C	S	.	.			trans	-89.2	173.3	172.1	63	16.2	0	0	0	112.4	C83 Y84 R85 R121	D81-C83 PolarHBondContact O-N 2.96Å; D81-C83 VanDerWaalsContact O-N 3.09Å; D81-C83 WeakPolarHBondContact OD1-CA 3.3Å; D81-C83 WeakPolarHBondContact OD1-CB 3.36Å; D81-C83 PolarHBondContact OD1-N 2.8Å; D81-C83 VanDerWaalsContact OD1-N 3.12Å; D81-Y84 PolarHBondContact O-N 2.9Å; D81-Y84 PolarHBondContact OD1-N 3.3Å; D81-R85 PolarHBondContact N-O 3.48Å; D81-R85 WeakPolarHBondContact OD1-CB 3.28Å; D81-R85 PolarHBondContact OD1-N 2.91Å; D81-R121 IonicContact OD2-NH2 3.76Å; D81-R121 PolarHBondContact OD2-NH2 3.1Å
82	D	71.3	Confident	85.9	Confident	94 Å²	94	58.5 Å²	58.5	50%	0.503	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-17.1	175.5	-59.1	-43	0	0	0	113.3	Y84	D82-Y84 VanDerWaalsContact C-N 3.3Å
83	C	65.3	Low	86.1	Confident	29 Å²	29	59.7 Å²	59.7	20%	0.196	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.8	10	176	-60	0	0	0	0	112.9	D81 R85 K370 P371	D81-C83 PolarHBondContact O-N 2.96Å; D81-C83 VanDerWaalsContact O-N 3.09Å; D81-C83 WeakPolarHBondContact OD1-CA 3.3Å; D81-C83 WeakPolarHBondContact OD1-CB 3.36Å; D81-C83 PolarHBondContact OD1-N 2.8Å; D81-C83 VanDerWaalsContact OD1-N 3.12Å; C83-R85 PolarHBondContact O-N 3.15Å; C83-K370 VanDerWaalsContact SG-CE 3.53Å; C83-K370 WeakPolarHBondContact SG-CG 3.35Å; C83-P371 HydrophobicContact CB-CG 4.1Å
84	Y	72.8	Confident	86.2	Confident	171 Å²	171	58.9 Å²	58.9	67%	0.671	26%	0.263	S	S	*	.			trans	59.1	22.5	-177.1	-59.3	-89.8	0	0	0	114.4	D81 D82	D81-Y84 PolarHBondContact O-N 2.9Å; D81-Y84 PolarHBondContact OD1-N 3.3Å; D82-Y84 VanDerWaalsContact C-N 3.3Å
85	R	74.8	Confident	86.1	Confident	124 Å²	124	62.9 Å²	62.9	47%	0.468	29%	0.29	S	S	.	.			trans	-87.1	138.1	173	-70.1	-170	172.2	-169.1	-1.3	110.5	R80 D81 C83 P371 D373	R80-R85 WeakPolarHBondContact CA-O 3.37Å; D81-R85 PolarHBondContact N-O 3.48Å; D81-R85 WeakPolarHBondContact OD1-CB 3.28Å; D81-R85 PolarHBondContact OD1-N 2.91Å; C83-R85 PolarHBondContact O-N 3.15Å; R85-P371 VanDerWaalsContact CZ-CG 3.5Å; R85-D373 IonicContact CZ-OD1 3.56Å; R85-D373 IonicContact NH2-OD1 2.75Å; R85-D373 PolarHBondContact NH2-OD1 3.22Å
86	W	85.9	Confident	85.8	Confident	73 Å²	73	65 Å²	65	28%	0.277	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	129.5	179.7	-62.8	93.9	0	0	0	109.7	W27 P58 V59 L78 V79 R80	W27-W86 HydrophobicContact CE3-CH2 4.38Å; W27-W86 AromaticContact CE3-CZ3 3.76Å; W27-W86 HydrophobicContact CE3-CZ3 3.76Å; W27-W86 AromaticContact CH2-CH2 3.86Å; W27-W86 HydrophobicContact CH2-CH2 3.86Å; W27-W86 AromaticContact CH2-CZ3 3.99Å; W27-W86 HydrophobicContact CH2-CZ3 3.99Å; W27-W86 HydrophobicContact CZ2-CH2 4.44Å; W27-W86 HydrophobicContact CZ3-CE3 4.49Å; W27-W86 AromaticContact CZ3-CH2 3.84Å; W27-W86 HydrophobicContact CZ3-CH2 3.84Å; W27-W86 AromaticContact CZ3-CZ3 3.46Å; W27-W86 HydrophobicContact CZ3-CZ3 3.46Å; W27-W86 VanDerWaalsContact CZ3-CZ3 3.46Å; P58-W86 HydrophobicContact CB-CB 4.39Å; V59-W86 HydrophobicContact CG2-CB 3.98Å; V59-W86 HydrophobicContact CG2-CD2 3.62Å; V59-W86 HydrophobicContact CG2-CE3 4.31Å; V59-W86 HydrophobicContact CG2-CG 3.45Å; V59-W86 VanDerWaalsContact CG2-CG 3.45Å; L78-W86 HydrophobicContact CD1-CB 4.32Å; L78-W86 HydrophobicContact CD1-CE3 3.93Å; L78-W86 HydrophobicContact CD2-CE3 3.55Å; L78-W86 HydrophobicContact CD2-CZ3 3.55Å; L78-W86 HydrophobicContact CG-CE3 3.54Å; L78-W86 HydrophobicContact CG-CZ3 3.84Å; V79-W86 WeakPolarHBondContact O-CA 3.47Å; R80-W86 HydrophobicContact CB-CD2 4.36Å; R80-W86 HydrophobicContact CB-CE3 3.9Å; R80-W86 HydrophobicContact CB-CH2 4.22Å; R80-W86 HydrophobicContact CB-CZ3 3.85Å; R80-W86 HydrophobicContact CG-CD2 4.26Å; R80-W86 HydrophobicContact CG-CE3 4.28Å; R80-W86 HydrophobicContact CG-CH2 4.33Å; R80-W86 HydrophobicContact CG-CZ2 4.23Å; R80-W86 HydrophobicContact CG-CZ3 4.34Å
87	S	86	Confident	85.2	Confident	26 Å²	26	68.4 Å²	68.4	18%	0.182	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	139.3	173	71.8	0	0	0	0	111	V79 Y120	V79-S87 PolarHBondContact N-O 3.19Å; V79-S87 PolarHBondContact O-N 3.35Å; S87-Y120 WeakPolarHBondContact OG-CE2 3.18Å
88	L	90.4	Very high	84.7	Confident	56 Å²	56	70.5 Å²	70.5	29%	0.293	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	129	178	-161.3	82.3	0	0	0	109	F61 V62 I76 L78	F61-L88 HydrophobicContact CD1-CD1 4.28Å; F61-L88 HydrophobicContact CD1-CD2 3.77Å; F61-L88 HydrophobicContact CE1-CD2 3.53Å; F61-L88 HydrophobicContact CZ-CD2 4.25Å; V62-L88 HydrophobicContact CG2-CD1 3.33Å; I76-L88 HydrophobicContact CD1-CD2 4.31Å; I76-L88 HydrophobicContact CG2-CD1 3.46Å; I76-L88 VanDerWaalsContact CG2-CD1 3.46Å; I76-L88 HydrophobicContact CG2-CD2 4.26Å; I76-L88 HydrophobicContact CG2-CG 3.62Å; L78-L88 HydrophobicContact CD1-CD1 4.38Å
89	R	92.3	Very high	84.5	Confident	89 Å²	89	70.5 Å²	70.5	34%	0.336	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	137.7	174.8	-59.5	-64.6	174.6	178.4	0.2	110.6	I76 V77 V79 F118 T119 Y120	I76-R89 CarbonylContact C-O 3.32Å; I76-R89 WeakPolarHBondContact CA-O 3.24Å; I76-R89 WeakPolarHBondContact CG2-O 3.36Å; V77-R89 HydrophobicContact CG2-CB 3.86Å; V77-R89 PolarHBondContact N-O 2.73Å; V77-R89 PolarHBondContact O-N 3.02Å; V79-R89 HydrophobicContact CG2-CG 4.5Å; R89-F118 HydrophobicContact CB-CD2 4.46Å; R89-T119 WeakPolarHBondContact CD-O 3.46Å; R89-Y120 HydrophobicContact CG-CD2 4.41Å
90	R	92.6	Very high	84.4	Confident	167 Å²	167	71.4 Å²	71.4	63%	0.63	36%	0.355	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.1	139.2	173.6	-174.2	172.1	-178.5	176	0.4	109.3	Y92	R90-Y92 HydrophobicContact CB-CE2 4.22Å; R90-Y92 HydrophobicContact CG-CE1 4.2Å
91	V	93.1	Very high	84.5	Confident	13 Å²	13	68.6 Å²	68.6	8%	0.079	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	132.1	168.4	-176.1	0	0	0	0	107.6	A74 S75 V77 R116 F118 F134	A74-V91 WeakPolarHBondContact O-CB 3.48Å; A74-V91 WeakPolarHBondContact O-CG2 3.14Å; S75-V91 PolarHBondContact O-N 3.39Å; V77-V91 HydrophobicContact CB-CG2 4.46Å; V77-V91 HydrophobicContact CG1-CG2 3.66Å; V77-V91 HydrophobicContact CG2-CG2 4.31Å; V91-R116 HydrophobicContact CG1-CG 3.72Å; V91-F118 HydrophobicContact CG2-CB 4.43Å; V91-F134 HydrophobicContact CG1-CZ 4.27Å
92	Y	92.8	Very high	84.8	Confident	98 Å²	98	68.2 Å²	68.2	38%	0.384	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	145.3	175.9	-60.3	-81.9	0	0	0	109	R90 R116 Y117	R90-Y92 HydrophobicContact CB-CE2 4.22Å; R90-Y92 HydrophobicContact CG-CE1 4.2Å; Y92-R116 CarbonylContact O-C 3.59Å; Y92-R116 WeakPolarHBondContact O-CA 3.45Å; Y92-Y117 HydrophobicContact CD2-CE2 4.29Å; Y92-Y117 PolarHBondContact N-O 3.3Å; Y92-Y117 PolarHBondContact O-N 3.01Å
93	E	91	Very high	85.5	Confident	120 Å²	120	63.7 Å²	63.7	56%	0.561	32%	0.318	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-132.9	120.6	174.6	-173	167.1	-175.5	0	0	106.9	L115 R116	E93-L115 WeakPolarHBondContact CA-O 3.39Å; E93-R116 IonicContact OE2-NH1 2.78Å; E93-R116 PolarHBondContact OE2-NH1 2.71Å
94	T	90	Very high	86.1	Confident	49 Å²	49	65.7 Å²	65.7	30%	0.301	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	128.8	-176.3	54.5	0	0	0	0	108.7	Y100 C114 L115 Y117	T94-Y100 VanDerWaalsContact CB-OH 3.28Å; T94-Y100 WeakPolarHBondContact CB-OH 3.46Å; T94-Y100 WeakPolarHBondContact O-CE2 3.41Å; T94-Y100 PolarHBondContact O-OH 3.09Å; T94-Y100 PolarHBondContact OG1-OH 3.27Å; T94-Y100 VanDerWaalsContact OG1-OH 3.05Å; T94-C114 CarbonylContact O-C 3.5Å; T94-C114 WeakPolarHBondContact O-CA 3.3Å; T94-L115 PolarHBondContact N-O 2.81Å; T94-L115 PolarHBondContact O-N 3.32Å; T94-L115 PolarHBondContact OG1-O 3.28Å; T94-Y117 HydrophobicContact CG2-CE1 4.45Å
95	C	87.6	Confident	86.1	Confident	85 Å²	85	61.7 Å²	61.7	57%	0.574	32%	0.315	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.2	137.4	176.3	-57.7	0	0	0	0	109.4	Y113 C114	C95-Y113 WeakPolarHBondContact CA-O 3.44Å; C95-C114 HydrophobicContact CB-CB 4.17Å; C95-C114 WeakPolarHBondContact CB-SG 3.43Å; C95-C114 WeakPolarHBondContact SG-CB 3.48Å; C95-C114 CovalentContact SG-SG 2.05Å; C95-C114 PolarHBondContact SG-SG 2.84Å
96	R	83.8	Confident	86	Confident	82 Å²	82	57.3 Å²	57.3	31%	0.309	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	135.1	-177.9	-173.9	179.2	-178.6	174.3	2.6	109	G98 G99 Y100 Y113 D161	R96-G98 VanDerWaalsContact C-N 3.32Å; R96-G98 PolarHBondContact O-N 3.35Å; R96-G99 PolarHBondContact O-N 3.37Å; R96-Y100 HydrophobicContact CB-CD2 4.31Å; R96-Y100 HydrophobicContact CB-CE1 4.41Å; R96-Y100 HydrophobicContact CB-CE2 3.61Å; R96-Y113 PolarHBondContact N-O 2.67Å; R96-Y113 VanDerWaalsContact N-O 3.14Å; R96-D161 IonicContact CZ-OD1 2.63Å; R96-D161 IonicContact CZ-OD2 3.32Å; R96-D161 PolarHBondContact NH1-O 2.93Å; R96-D161 IonicContact NH1-OD1 3.82Å; R96-D161 PolarHBondContact NH1-OD1 3.48Å; R96-D161 IonicContact NH1-OD2 3.57Å; R96-D161 IonicContact NH2-OD1 2.67Å; R96-D161 PolarHBondContact NH2-OD1 2.93Å; R96-D161 IonicContact NH2-OD2 3.81Å; R96-D161 PolarHBondContact NH2-OD2 3.33Å
97	G	80.3	Confident	85.5	Confident	82 Å²	82	54.4 Å²	54.4	85%	0.845	30%	0.301	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-58.8	-38.7	-179.6	0	0	0	0	0	113.9	G99	G97-G99 PolarHBondContact O-N 3.01Å
98	G	80.8	Confident	85.3	Confident	44 Å²	44	57.1 Å²	57.1	45%	0.454	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	5.6	174	0	0	0	0	0	114.9	R96 R162	R96-G98 VanDerWaalsContact C-N 3.32Å; R96-G98 PolarHBondContact O-N 3.35Å; G98-R162 WeakPolarHBondContact O-CD 3.5Å; G98-R162 PolarHBondContact O-NE 3.14Å
99	G	87	Confident	85.1	Confident	0 Å²	0	56.7 Å²	56.7	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	65.8	-180	-175.9	0	0	0	0	0	114.6	R96 G97 H112	R96-G99 PolarHBondContact O-N 3.37Å; G97-G99 PolarHBondContact O-N 3.01Å; G99-H112 CarbonylContact C-O 3.56Å; G99-H112 WeakPolarHBondContact CA-O 3.31Å
100	Y	88	Confident	84.7	Confident	19 Å²	19	54.3 Å²	54.3	8%	0.075	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	145.2	177.6	-65.6	-87.1	0	0	0	108.6	T94 R96 E111 H112 L115 A165	T94-Y100 VanDerWaalsContact CB-OH 3.28Å; T94-Y100 WeakPolarHBondContact CB-OH 3.46Å; T94-Y100 WeakPolarHBondContact O-CE2 3.41Å; T94-Y100 PolarHBondContact O-OH 3.09Å; T94-Y100 PolarHBondContact OG1-OH 3.27Å; T94-Y100 VanDerWaalsContact OG1-OH 3.05Å; R96-Y100 HydrophobicContact CB-CD2 4.31Å; R96-Y100 HydrophobicContact CB-CE1 4.41Å; R96-Y100 HydrophobicContact CB-CE2 3.61Å; Y100-E111 WeakPolarHBondContact O-CA 3.31Å; Y100-H112 WeakPolarHBondContact CB-O 3.46Å; Y100-H112 PolarHBondContact N-O 3.38Å; Y100-H112 PolarHBondContact O-N 2.92Å; Y100-L115 HydrophobicContact CD1-CB 4.1Å; Y100-L115 HydrophobicContact CD1-CD2 4.12Å; Y100-L115 HydrophobicContact CD2-CB 3.85Å; Y100-L115 HydrophobicContact CE1-CB 4.17Å; Y100-L115 HydrophobicContact CE1-CD2 4.27Å; Y100-L115 HydrophobicContact CE2-CB 3.92Å; Y100-L115 HydrophobicContact CG-CB 3.94Å; Y100-A165 HydrophobicContact CD1-CB 3.85Å; Y100-A165 HydrophobicContact CE1-CB 3.9Å
101	L	89.5	Confident	84.3	Confident	6 Å²	6	50.9 Å²	50.9	3%	0.031	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	138.5	169.1	-70.4	175.9	0	0	0	109.5	L109 L110 E111 H159 R162 L163 S166	L101-L109 HydrophobicContact CB-CD2 4.34Å; L101-L109 HydrophobicContact CD1-CD1 4.39Å; L101-L109 HydrophobicContact CD2-CB 4.37Å; L101-L110 WeakPolarHBondContact CA-O 3.4Å; L101-E111 HydrophobicContact CD2-CB 4.03Å; L101-H159 HydrophobicContact CD1-CB 4.28Å; L101-R162 HydrophobicContact CB-CB 4.11Å; L101-R162 HydrophobicContact CD1-CB 3.81Å; L101-R162 HydrophobicContact CG-CB 3.81Å; L101-L163 HydrophobicContact CB-CD2 3.99Å; L101-L163 HydrophobicContact CB-CG 4.07Å; L101-S166 PolarHBondContact N-OG 2.85Å; L101-S166 WeakPolarHBondContact O-CB 3.34Å; L101-S166 PolarHBondContact O-OG 3.18Å
102	Y	85.7	Confident	84	Confident	5 Å²	5	52.8 Å²	52.8	2%	0.02	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	158.8	168	61.5	-96	0	0	0	110.4	L110 H112 F135 L137	Y102-L110 HydrophobicContact CD2-CB 4.47Å; Y102-L110 HydrophobicContact CE1-CB 4.47Å; Y102-L110 HydrophobicContact CE2-CB 4Å; Y102-L110 HydrophobicContact CE2-CD1 3.71Å; Y102-L110 HydrophobicContact CE2-CG 4.46Å; Y102-L110 PolarHBondContact N-O 3.36Å; Y102-L110 PolarHBondContact O-N 3.37Å; Y102-H112 AromaticContact CE1-CE1 3.81Å; Y102-H112 AromaticContact CE1-CG 3.97Å; Y102-H112 AromaticContact CE1-ND1 3.36Å; Y102-H112 WeakPolarHBondContact CE1-ND1 3.39Å; Y102-H112 AromaticContact CZ-CE1 3.68Å; Y102-H112 AromaticContact CZ-ND1 3.72Å; Y102-H112 PolarHBondContact OH-CE1 3.46Å; Y102-H112 PolarHBondContact OH-ND1 2.99Å; Y102-F135 HydrophobicContact CD2-CZ 4.17Å; Y102-F135 HydrophobicContact CE2-CE2 4.26Å; Y102-F135 AromaticContact CE2-CZ 3.58Å; Y102-F135 HydrophobicContact CE2-CZ 3.58Å; Y102-L137 HydrophobicContact CG-CD1 4.37Å
103	L	85.6	Confident	83.6	Confident	0 Å²	0	55.5 Å²	55.5	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	139.1	-176.8	-63	164.9	0	0	0	111	L109 Y140 W155 Y167 P264	L103-L109 HydrophobicContact CD2-CD2 3.73Å; L103-L109 HydrophobicContact CD2-CG 4.43Å; L103-Y140 HydrophobicContact CD1-CD2 3.92Å; L103-Y140 HydrophobicContact CD1-CG 4.39Å; L103-Y140 HydrophobicContact CD2-CD2 3.96Å; L103-Y140 HydrophobicContact CD2-CE2 4.5Å; L103-W155 HydrophobicContact CD2-CH2 4.46Å; L103-W155 HydrophobicContact CD2-CZ2 4.18Å; L103-Y167 WeakPolarHBondContact CB-OH 3.3Å; L103-Y167 PolarHBondContact N-OH 3.41Å; L103-P264 HydrophobicContact CD1-CB 3.74Å
104	Q	78.6	Confident	83.5	Confident	71 Å²	71	52.5 Å²	52.5	33%	0.332	31%	0.309	S	S	.	.			trans	-112.7	178.5	168.5	-151.5	-172.5	7	0	0	110.4	G106 G107 V108 L110	Q104-G106 PolarHBondContact O-N 3.21Å; Q104-G107 PolarHBondContact O-N 2.95Å; Q104-V108 PolarHBondContact N-O 2.99Å; Q104-L110 HydrophobicContact CB-CD1 4.05Å; Q104-L110 HydrophobicContact CB-CG 4.46Å; Q104-L110 HydrophobicContact CG-CD1 4.18Å
105	N	72.8	Confident	83.4	Confident	87 Å²	87	50.4 Å²	50.4	47%	0.465	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-46	131.2	169.9	-71.2	-15.1	0	0	0	111.5	Q142	N105-Q142 PolarHBondContact OD1-OE1 3.27Å; N105-Q142 VanDerWaalsContact OD1-OE1 3.05Å
106	G	72.3	Confident	83.6	Confident	31 Å²	31	48.1 Å²	48.1	32%	0.32	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	88.6	-0	-176.5	0	0	0	0	0	114.6	Q104 V108 Q142 N143	Q104-G106 PolarHBondContact O-N 3.21Å; G106-V108 VanDerWaalsContact C-N 3.29Å; G106-Q142 PolarHBondContact N-O 2.91Å; G106-N143 WeakPolarHBondContact CA-O 3.35Å
107	G	75.1	Confident	84.1	Confident	13 Å²	13	46.4 Å²	46.4	13%	0.134	27%	0.269	C	S	.	.	S	Bend	trans	78	13.5	-178.2	0	0	0	0	0	113.9	Q104	Q104-G107 PolarHBondContact O-N 2.95Å
108	V	82.9	Confident	84.7	Confident	83 Å²	83	42.5 Å²	42.5	50%	0.503	23%	0.229	S	C	.	.			trans	-73	134.1	179.4	-177.1	0	0	0	0	110.2	Q104 G106	Q104-V108 PolarHBondContact N-O 2.99Å; G106-V108 VanDerWaalsContact C-N 3.29Å
109	L	84.5	Confident	85.2	Confident	46 Å²	46	43 Å²	43	24%	0.241	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	125.8	173.9	-71	173.4	0	0	0	110.7	L101 L103 W155 L163	L101-L109 HydrophobicContact CB-CD2 4.34Å; L101-L109 HydrophobicContact CD1-CD1 4.39Å; L101-L109 HydrophobicContact CD2-CB 4.37Å; L103-L109 HydrophobicContact CD2-CD2 3.73Å; L103-L109 HydrophobicContact CD2-CG 4.43Å; L109-W155 HydrophobicContact CD1-CE3 4.25Å; L109-W155 HydrophobicContact CD1-CH2 3.74Å; L109-W155 HydrophobicContact CD1-CZ3 3.46Å; L109-W155 VanDerWaalsContact CD1-CZ3 3.46Å; L109-W155 HydrophobicContact CD2-CH2 3.96Å; L109-W155 HydrophobicContact CD2-CZ2 4.33Å; L109-W155 HydrophobicContact CD2-CZ3 4.44Å; L109-W155 HydrophobicContact CG-CH2 3.85Å; L109-W155 HydrophobicContact CG-CZ3 4.11Å; L109-L163 HydrophobicContact CD2-CD1 4.31Å; L109-L163 HydrophobicContact CD2-CD2 3.9Å; L109-L163 HydrophobicContact CD2-CG 4.4Å
110	L	83.9	Confident	85.3	Confident	40 Å²	40	43.5 Å²	43.5	21%	0.209	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	131.8	171.5	-72.7	177.3	0	0	0	111.3	L101 Y102 Q104	L101-L110 WeakPolarHBondContact CA-O 3.4Å; Y102-L110 HydrophobicContact CD2-CB 4.47Å; Y102-L110 HydrophobicContact CE1-CB 4.47Å; Y102-L110 HydrophobicContact CE2-CB 4Å; Y102-L110 HydrophobicContact CE2-CD1 3.71Å; Y102-L110 HydrophobicContact CE2-CG 4.46Å; Y102-L110 PolarHBondContact N-O 3.36Å; Y102-L110 PolarHBondContact O-N 3.37Å; Q104-L110 HydrophobicContact CB-CD1 4.05Å; Q104-L110 HydrophobicContact CB-CG 4.46Å; Q104-L110 HydrophobicContact CG-CD1 4.18Å
111	E	85.3	Confident	85.2	Confident	95 Å²	95	45.7 Å²	45.7	44%	0.444	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	129.8	178.9	172.1	160	-179.8	0	0	112.3	Y100 L101 R162	Y100-E111 WeakPolarHBondContact O-CA 3.31Å; L101-E111 HydrophobicContact CD2-CB 4.03Å; E111-R162 IonicContact OE1-NH2 3.24Å; E111-R162 PolarHBondContact OE1-NH2 3.49Å; E111-R162 IonicContact OE2-CZ 3.89Å; E111-R162 IonicContact OE2-NH1 3.76Å; E111-R162 PolarHBondContact OE2-NH1 3.25Å; E111-R162 IonicContact OE2-NH2 2.69Å; E111-R162 PolarHBondContact OE2-NH2 3.36Å
112	H	85.4	Confident	85.1	Confident	53 Å²	53	48.1 Å²	48.1	25%	0.245	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	137.9	174.8	-72.6	70.1	0	0	0	111	G99 Y100 Y102	G99-H112 CarbonylContact C-O 3.56Å; G99-H112 WeakPolarHBondContact CA-O 3.31Å; Y100-H112 WeakPolarHBondContact CB-O 3.46Å; Y100-H112 PolarHBondContact N-O 3.38Å; Y100-H112 PolarHBondContact O-N 2.92Å; Y102-H112 AromaticContact CE1-CE1 3.81Å; Y102-H112 AromaticContact CE1-CG 3.97Å; Y102-H112 AromaticContact CE1-ND1 3.36Å; Y102-H112 WeakPolarHBondContact CE1-ND1 3.39Å; Y102-H112 AromaticContact CZ-CE1 3.68Å; Y102-H112 AromaticContact CZ-ND1 3.72Å; Y102-H112 PolarHBondContact OH-CE1 3.46Å; Y102-H112 PolarHBondContact OH-ND1 2.99Å
113	Y	85.7	Confident	85.2	Confident	155 Å²	155	47.9 Å²	47.9	61%	0.608	24%	0.243	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-78.7	-29.4	176.5	-66	-73.4	0	0	0	113.6	C95 R96	C95-Y113 WeakPolarHBondContact CA-O 3.44Å; R96-Y113 PolarHBondContact N-O 2.67Å; R96-Y113 VanDerWaalsContact N-O 3.14Å
114	C	88.1	Confident	85.5	Confident	57 Å²	57	49.8 Å²	49.8	39%	0.385	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	128.4	179.6	-64.2	0	0	0	0	110.2	T94 C95	T94-C114 CarbonylContact O-C 3.5Å; T94-C114 WeakPolarHBondContact O-CA 3.3Å; C95-C114 HydrophobicContact CB-CB 4.17Å; C95-C114 WeakPolarHBondContact CB-SG 3.43Å; C95-C114 WeakPolarHBondContact SG-CB 3.48Å; C95-C114 CovalentContact SG-SG 2.05Å; C95-C114 PolarHBondContact SG-SG 2.84Å
115	L	89.2	Confident	86	Confident	4 Å²	4	46.4 Å²	46.4	2%	0.021	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	114.3	177.9	-170.5	74.8	0	0	0	109.4	E93 T94 Y100 Y117 V126	E93-L115 WeakPolarHBondContact CA-O 3.39Å; T94-L115 PolarHBondContact N-O 2.81Å; T94-L115 PolarHBondContact O-N 3.32Å; T94-L115 PolarHBondContact OG1-O 3.28Å; Y100-L115 HydrophobicContact CD1-CB 4.1Å; Y100-L115 HydrophobicContact CD1-CD2 4.12Å; Y100-L115 HydrophobicContact CD2-CB 3.85Å; Y100-L115 HydrophobicContact CE1-CB 4.17Å; Y100-L115 HydrophobicContact CE1-CD2 4.27Å; Y100-L115 HydrophobicContact CE2-CB 3.92Å; Y100-L115 HydrophobicContact CG-CB 3.94Å; L115-Y117 HydrophobicContact CD2-CD1 3.8Å; L115-Y117 HydrophobicContact CD2-CE1 4.17Å; L115-Y117 HydrophobicContact CG-CD1 3.95Å; L115-V126 HydrophobicContact CD1-CG1 3.56Å; L115-V126 HydrophobicContact CD1-CG2 4.18Å
116	R	92.1	Very high	86.9	Confident	37 Å²	37	42.4 Å²	42.4	14%	0.14	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	121	171.6	-173.4	-169.9	-166.3	92.9	4.1	109.3	E72 S73 A74 V91 Y92 E93 W127	E72-R116 PolarHBondContact O-NE 2.87Å; E72-R116 VanDerWaalsContact O-NE 3.17Å; E72-R116 PolarHBondContact O-NH1 3.49Å; E72-R116 PolarHBondContact O-NH2 3.05Å; E72-R116 VanDerWaalsContact O-NH2 3.13Å; S73-R116 VanDerWaalsContact C-NH2 3.3Å; A74-R116 PolarHBondContact O-NH2 2.79Å; V91-R116 HydrophobicContact CG1-CG 3.72Å; Y92-R116 CarbonylContact O-C 3.59Å; Y92-R116 WeakPolarHBondContact O-CA 3.45Å; E93-R116 IonicContact OE2-NH1 2.78Å; E93-R116 PolarHBondContact OE2-NH1 2.71Å; R116-W127 HydrophobicContact CB-CB 3.91Å; R116-W127 HydrophobicContact CG-CB 4.24Å; R116-W127 WeakPolarHBondContact O-CB 3.15Å; R116-W127 PolarHBondContact O-N 2.82Å
117	Y	92.7	Very high	87.7	Confident	47 Å²	47	42 Å²	42	18%	0.184	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	160.4	-176	71.4	-85.7	0	0	0	113.4	Y92 T94 L115 T119 K124 F125	Y92-Y117 HydrophobicContact CD2-CE2 4.29Å; Y92-Y117 PolarHBondContact N-O 3.3Å; Y92-Y117 PolarHBondContact O-N 3.01Å; T94-Y117 HydrophobicContact CG2-CE1 4.45Å; L115-Y117 HydrophobicContact CD2-CD1 3.8Å; L115-Y117 HydrophobicContact CD2-CE1 4.17Å; L115-Y117 HydrophobicContact CG-CD1 3.95Å; Y117-T119 HydrophobicContact CD2-CG2 4.27Å; Y117-T119 HydrophobicContact CE2-CG2 4.2Å; Y117-K124 HydrophobicContact CD2-CD 3.85Å; Y117-K124 HydrophobicContact CD2-CG 3.6Å; Y117-K124 HydrophobicContact CE2-CD 4.23Å; Y117-K124 HydrophobicContact CE2-CG 4.31Å; Y117-K124 HydrophobicContact CG-CD 4.1Å; Y117-K124 HydrophobicContact CG-CG 4.01Å; Y117-F125 CarbonylContact C-O 3.4Å; Y117-F125 WeakPolarHBondContact CA-O 3.44Å; Y117-F125 WeakPolarHBondContact CB-O 3.49Å
118	F	93.7	Very high	88.2	Confident	0 Å²	0	41.8 Å²	41.8	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	159.3	164.3	73	-91	0	0	0	110.2	V26 V77 V79 R89 V91 F125 F134	V26-F118 HydrophobicContact CG2-CZ 4.39Å; V77-F118 HydrophobicContact CG2-CB 4.17Å; V77-F118 HydrophobicContact CG2-CD1 4.05Å; V77-F118 HydrophobicContact CG2-CD2 3.94Å; V77-F118 HydrophobicContact CG2-CE1 4.42Å; V77-F118 HydrophobicContact CG2-CE2 4.34Å; V77-F118 HydrophobicContact CG2-CG 3.79Å; V79-F118 HydrophobicContact CG2-CE2 4.28Å; R89-F118 HydrophobicContact CB-CD2 4.46Å; V91-F118 HydrophobicContact CG2-CB 4.43Å; F118-F125 HydrophobicContact CD1-CB 3.9Å; F118-F125 HydrophobicContact CD2-CB 4.37Å; F118-F125 HydrophobicContact CD2-CD2 4.22Å; F118-F125 HydrophobicContact CE1-CB 3.49Å; F118-F125 VanDerWaalsContact CE1-CB 3.49Å; F118-F125 HydrophobicContact CE1-CG 4.09Å; F118-F125 HydrophobicContact CE2-CB 3.99Å; F118-F125 AromaticContact CE2-CD2 3.6Å; F118-F125 HydrophobicContact CE2-CD2 3.6Å; F118-F125 HydrophobicContact CE2-CE2 4.33Å; F118-F125 AromaticContact CE2-CG 3.88Å; F118-F125 HydrophobicContact CE2-CG 3.88Å; F118-F125 HydrophobicContact CG-CB 4.32Å; F118-F125 HydrophobicContact CZ-CB 3.53Å; F118-F125 HydrophobicContact CZ-CD1 4.24Å; F118-F125 AromaticContact CZ-CD2 3.82Å; F118-F125 HydrophobicContact CZ-CD2 3.82Å; F118-F125 AromaticContact CZ-CG 3.59Å; F118-F125 HydrophobicContact CZ-CG 3.59Å; F118-F125 PolarHBondContact N-O 2.81Å; F118-F125 PolarHBondContact O-N 3.18Å; F118-F134 AromaticContact CD1-CD1 3.76Å; F118-F134 HydrophobicContact CD1-CD1 3.76Å; F118-F134 HydrophobicContact CD1-CD2 4.21Å; F118-F134 AromaticContact CD1-CE1 3.9Å; F118-F134 HydrophobicContact CD1-CE1 3.9Å; F118-F134 HydrophobicContact CD1-CE2 4.33Å; F118-F134 AromaticContact CD1-CG 3.93Å; F118-F134 HydrophobicContact CD1-CG 3.93Å; F118-F134 HydrophobicContact CD1-CZ 4.19Å; F118-F134 HydrophobicContact CE1-CB 3.76Å; F118-F134 AromaticContact CE1-CD1 3.81Å; F118-F134 HydrophobicContact CE1-CD1 3.81Å; F118-F134 AromaticContact CE1-CD2 3.81Å; F118-F134 HydrophobicContact CE1-CD2 3.81Å; F118-F134 HydrophobicContact CE1-CE1 4.35Å; F118-F134 HydrophobicContact CE1-CE2 4.34Å; F118-F134 AromaticContact CE1-CG 3.52Å; F118-F134 HydrophobicContact CE1-CG 3.52Å
119	T	90.5	Very high	88.2	Confident	55 Å²	55	42 Å²	42	34%	0.337	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	131.5	176.2	55.1	0	0	0	0	111.3	R89 Y117 Q123	R89-T119 WeakPolarHBondContact CD-O 3.46Å; Y117-T119 HydrophobicContact CD2-CG2 4.27Å; Y117-T119 HydrophobicContact CE2-CG2 4.2Å; T119-Q123 CarbonylContact C-O 3.54Å; T119-Q123 WeakPolarHBondContact CA-O 3.21Å
120	Y	89.4	Confident	88.1	Confident	10 Å²	10	47 Å²	47	4%	0.039	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	127.9	175.1	179.3	-103.6	0	0	0	109.2	I18 I24 V79 S87 R89 K122 Q123	I18-Y120 HydrophobicContact CD1-CD1 4.22Å; I18-Y120 HydrophobicContact CD1-CE1 4.12Å; I24-Y120 HydrophobicContact CD1-CD1 4.22Å; I24-Y120 HydrophobicContact CG2-CE1 4.03Å; V79-Y120 HydrophobicContact CB-CD2 4.33Å; V79-Y120 HydrophobicContact CB-CE2 4.32Å; V79-Y120 HydrophobicContact CG1-CD2 3.93Å; V79-Y120 HydrophobicContact CG1-CE1 4.34Å; V79-Y120 HydrophobicContact CG1-CE2 3.75Å; V79-Y120 HydrophobicContact CG1-CG 4.32Å; V79-Y120 HydrophobicContact CG2-CD2 4.47Å; S87-Y120 WeakPolarHBondContact OG-CE2 3.18Å; R89-Y120 HydrophobicContact CG-CD2 4.41Å; Y120-K122 PolarHBondContact O-N 2.94Å; Y120-K122 VanDerWaalsContact O-N 3.12Å; Y120-Q123 PolarHBondContact N-O 3.35Å; Y120-Q123 PolarHBondContact O-N 3Å
121	R	86.2	Confident	87.9	Confident	64 Å²	64	49.3 Å²	49.3	24%	0.242	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	46	42.4	-175.6	-62.2	-176.8	-175.5	-160.1	2.6	113.8	D81 Q123 R364 Y368	D81-R121 IonicContact OD2-NH2 3.76Å; D81-R121 PolarHBondContact OD2-NH2 3.1Å; R121-Q123 PolarHBondContact O-N 3.18Å; R121-R364 WeakPolarHBondContact O-CD 3.47Å; R121-R364 PolarHBondContact O-NE 3.27Å; R121-Y368 HydrophobicContact CB-CD2 3.64Å; R121-Y368 HydrophobicContact CB-CE2 3.92Å; R121-Y368 HydrophobicContact CB-CG 4.05Å; R121-Y368 HydrophobicContact CG-CD1 4.23Å; R121-Y368 HydrophobicContact CG-CD2 3.95Å; R121-Y368 HydrophobicContact CG-CE2 4.46Å; R121-Y368 HydrophobicContact CG-CG 3.81Å; R121-Y368 PolarHBondContact NH1-O 3.46Å
122	K	87.6	Confident	87.8	Confident	57 Å²	57	51.7 Å²	51.7	25%	0.248	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.8	8.1	-178.2	-60.6	-73.5	-175.5	169.3	0	116.2	Y120 E175 F355 R364 M367 Y368	Y120-K122 PolarHBondContact O-N 2.94Å; Y120-K122 VanDerWaalsContact O-N 3.12Å; K122-E175 IonicContact NZ-OE1 3.53Å; K122-E175 PolarHBondContact NZ-OE1 3.34Å; K122-F355 HydrophobicContact CB-CB 4.29Å; K122-F355 HydrophobicContact CB-CD1 3.91Å; K122-F355 HydrophobicContact CB-CD2 3.77Å; K122-F355 HydrophobicContact CB-CE1 4.12Å; K122-F355 HydrophobicContact CB-CE2 4.01Å; K122-F355 HydrophobicContact CB-CG 3.7Å; K122-F355 HydrophobicContact CB-CZ 4.17Å; K122-F355 HydrophobicContact CD-CD2 4.43Å; K122-F355 HydrophobicContact CD-CE2 3.9Å; K122-F355 HydrophobicContact CD-CZ 4.06Å; K122-F355 HydrophobicContact CG-CD1 4.44Å; K122-F355 HydrophobicContact CG-CD2 4.37Å; K122-F355 HydrophobicContact CG-CE1 4.15Å; K122-F355 HydrophobicContact CG-CE2 4.09Å; K122-F355 HydrophobicContact CG-CZ 3.97Å; K122-R364 HydrophobicContact CB-CG 4.38Å; K122-M367 HydrophobicContact CG-CE 4.07Å; K122-Y368 HydrophobicContact CG-CE2 3.99Å
123	Q	88.5	Confident	87.9	Confident	1 Å²	1	54.6 Å²	54.6	1%	0.005	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	149.7	164.5	-81.4	169.8	-41.3	0	0	111.3	I18 E19 T119 Y120 R121 F125 L136 R364	I18-Q123 VanDerWaalsContact CG2-OE1 3.23Å; E19-Q123 PolarHBondContact OE1-NE2 2.84Å; E19-Q123 VanDerWaalsContact OE1-NE2 3.12Å; T119-Q123 CarbonylContact C-O 3.54Å; T119-Q123 WeakPolarHBondContact CA-O 3.21Å; Y120-Q123 PolarHBondContact N-O 3.35Å; Y120-Q123 PolarHBondContact O-N 3Å; R121-Q123 PolarHBondContact O-N 3.18Å; Q123-F125 HydrophobicContact CB-CE2 3.85Å; Q123-F125 HydrophobicContact CB-CZ 4.38Å; Q123-L136 HydrophobicContact CB-CD1 3.65Å; Q123-L136 HydrophobicContact CG-CD1 3.76Å; Q123-R364 VanDerWaalsContact CD-NH1 3.35Å; Q123-R364 VanDerWaalsContact CG-CZ 3.45Å; Q123-R364 VanDerWaalsContact NE2-NH2 3.17Å
124	K	90.4	Very high	88	Confident	40 Å²	40	47.3 Å²	47.3	17%	0.174	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	122.6	177.2	-167.7	178.6	-65.4	178.7	0	109.5	Y117 V126 L137 S166	Y117-K124 HydrophobicContact CD2-CD 3.85Å; Y117-K124 HydrophobicContact CD2-CG 3.6Å; Y117-K124 HydrophobicContact CE2-CD 4.23Å; Y117-K124 HydrophobicContact CE2-CG 4.31Å; Y117-K124 HydrophobicContact CG-CD 4.1Å; Y117-K124 HydrophobicContact CG-CG 4.01Å; K124-V126 HydrophobicContact CG-CG2 4.39Å; K124-L137 HydrophobicContact CB-CB 4.43Å; K124-L137 HydrophobicContact CB-CD2 4.47Å; K124-L137 HydrophobicContact CD-CD2 4.11Å; K124-L137 WeakPolarHBondContact O-CB 3.5Å; K124-L137 PolarHBondContact O-N 3.24Å; K124-S166 PolarHBondContact NZ-O 2.76Å
125	F	90.6	Very high	87.9	Confident	0 Å²	0	46.5 Å²	46.5	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	117.7	176.5	-68.3	-92.5	0	0	0	108.8	V16 I18 I24 Y117 F118 Q123 F134 F135 L136	V16-F125 HydrophobicContact CG1-CD1 3.68Å; V16-F125 HydrophobicContact CG1-CE1 3.71Å; I18-F125 HydrophobicContact CD1-CZ 4.41Å; I18-F125 HydrophobicContact CG1-CE1 4.41Å; I18-F125 HydrophobicContact CG1-CZ 4.05Å; I24-F125 HydrophobicContact CD1-CE1 4.34Å; I24-F125 HydrophobicContact CD1-CZ 4.14Å; Y117-F125 CarbonylContact C-O 3.4Å; Y117-F125 WeakPolarHBondContact CA-O 3.44Å; Y117-F125 WeakPolarHBondContact CB-O 3.49Å; F118-F125 HydrophobicContact CD1-CB 3.9Å; F118-F125 HydrophobicContact CD2-CB 4.37Å; F118-F125 HydrophobicContact CD2-CD2 4.22Å; F118-F125 HydrophobicContact CE1-CB 3.49Å; F118-F125 VanDerWaalsContact CE1-CB 3.49Å; F118-F125 HydrophobicContact CE1-CG 4.09Å; F118-F125 HydrophobicContact CE2-CB 3.99Å; F118-F125 AromaticContact CE2-CD2 3.6Å; F118-F125 HydrophobicContact CE2-CD2 3.6Å; F118-F125 HydrophobicContact CE2-CE2 4.33Å; F118-F125 AromaticContact CE2-CG 3.88Å; F118-F125 HydrophobicContact CE2-CG 3.88Å; F118-F125 HydrophobicContact CG-CB 4.32Å; F118-F125 HydrophobicContact CZ-CB 3.53Å; F118-F125 HydrophobicContact CZ-CD1 4.24Å; F118-F125 AromaticContact CZ-CD2 3.82Å; F118-F125 HydrophobicContact CZ-CD2 3.82Å; F118-F125 AromaticContact CZ-CG 3.59Å; F118-F125 HydrophobicContact CZ-CG 3.59Å; F118-F125 PolarHBondContact N-O 2.81Å; F118-F125 PolarHBondContact O-N 3.18Å; Q123-F125 HydrophobicContact CB-CE2 3.85Å; Q123-F125 HydrophobicContact CB-CZ 4.38Å; F125-F134 HydrophobicContact CB-CB 4.28Å; F125-F135 CarbonylContact C-O 3.57Å; F125-F135 VanDerWaalsContact CA-O 3.27Å; F125-F135 WeakPolarHBondContact CA-O 3.31Å; F125-L136 HydrophobicContact CD1-CB 4.41Å; F125-L136 HydrophobicContact CE1-CB 4.19Å; F125-L136 HydrophobicContact CE1-CD1 4.23Å; F125-L136 HydrophobicContact CZ-CD1 4.18Å
126	V	90.4	Very high	87.8	Confident	3 Å²	3	47.4 Å²	47.4	2%	0.018	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	142.5	-174.9	179.8	0	0	0	0	109.6	L115 K124 F134 F135 L137	L115-V126 HydrophobicContact CD1-CG1 3.56Å; L115-V126 HydrophobicContact CD1-CG2 4.18Å; K124-V126 HydrophobicContact CG-CG2 4.39Å; V126-F134 CarbonylContact O-C 3.58Å; V126-F134 VanDerWaalsContact O-CA 3.28Å; V126-F134 WeakPolarHBondContact O-CA 3.38Å; V126-F135 HydrophobicContact CB-CE1 4.16Å; V126-F135 HydrophobicContact CB-CZ 4.1Å; V126-F135 HydrophobicContact CG1-CE1 4.25Å; V126-F135 HydrophobicContact CG1-CZ 4.24Å; V126-F135 PolarHBondContact N-O 3.37Å; V126-F135 WeakPolarHBondContact O-CD1 3.42Å; V126-F135 WeakPolarHBondContact O-CE1 3.24Å; V126-F135 PolarHBondContact O-N 3.22Å; V126-L137 HydrophobicContact CG2-CB 4.19Å; V126-L137 HydrophobicContact CG2-CD1 4.37Å
127	W	89.9	Confident	87.6	Confident	23 Å²	23	45.9 Å²	45.9	9%	0.087	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	127.8	176.5	-179.9	-105.5	0	0	0	111.1	L71 E72 R116 K132 F134	L71-W127 HydrophobicContact CB-CH2 4.02Å; L71-W127 HydrophobicContact CB-CZ3 3.58Å; E72-W127 HydrophobicContact CB-CH2 3.79Å; E72-W127 HydrophobicContact CB-CZ2 3.42Å; E72-W127 VanDerWaalsContact CB-CZ2 3.42Å; E72-W127 HydrophobicContact CG-CZ2 3.71Å; R116-W127 HydrophobicContact CB-CB 3.91Å; R116-W127 HydrophobicContact CG-CB 4.24Å; R116-W127 WeakPolarHBondContact O-CB 3.15Å; R116-W127 PolarHBondContact O-N 2.82Å; W127-K132 HydrophobicContact CH2-CB 4.25Å; W127-K132 WeakPolarHBondContact CH2-O 3.27Å; W127-K132 HydrophobicContact CZ2-CB 4.32Å; W127-F134 HydrophobicContact CB-CD1 4.02Å; W127-F134 HydrophobicContact CB-CE1 3.75Å; W127-F134 HydrophobicContact CB-CZ 4.41Å; W127-F134 HydrophobicContact CE3-CD1 4.17Å; W127-F134 AromaticContact CE3-CD2 3.76Å; W127-F134 HydrophobicContact CE3-CD2 3.76Å; W127-F134 HydrophobicContact CE3-CE1 4.08Å; W127-F134 AromaticContact CE3-CE2 3.66Å; W127-F134 HydrophobicContact CE3-CE2 3.66Å; W127-F134 HydrophobicContact CE3-CG 4.01Å; W127-F134 AromaticContact CE3-CZ 3.82Å; W127-F134 HydrophobicContact CE3-CZ 3.82Å; W127-F134 HydrophobicContact CZ3-CD2 4.07Å; W127-F134 HydrophobicContact CZ3-CE2 4.03Å
128	S	85.6	Confident	87.2	Confident	8 Å²	8	44.6 Å²	44.6	6%	0.056	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	121	166.5	170.9	0	0	0	0	109.7	E130 L131 K132 R133	S128-E130 VanDerWaalsContact C-N 3.32Å; S128-E130 PolarHBondContact OG-N 2.95Å; S128-L131 PolarHBondContact OG-N 3.31Å; S128-K132 WeakPolarHBondContact O-CA 3.39Å; S128-K132 PolarHBondContact O-N 3.24Å; S128-R133 PolarHBondContact N-O 2.83Å
129	T	83.2	Confident	86.9	Confident	87 Å²	87	44.9 Å²	44.9	53%	0.534	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-36.7	175.3	-52.6	0	0	0	0	111.7
130	E	80.9	Confident	86.9	Confident	152 Å²	152	42.9 Å²	42.9	71%	0.71	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.7	-48.3	179.5	-64	175.5	178.4	0	0	112.1	S128 K132	S128-E130 VanDerWaalsContact C-N 3.32Å; S128-E130 PolarHBondContact OG-N 2.95Å; E130-K132 VanDerWaalsContact C-N 3.34Å
131	L	80.6	Confident	86.6	Confident	88 Å²	88	43.6 Å²	43.6	46%	0.461	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.1	-6.7	-176.9	-59.2	175	0	0	0	113.1	S128 R133	S128-L131 PolarHBondContact OG-N 3.31Å; L131-R133 HydrophobicContact CB-CG 3.75Å; L131-R133 PolarHBondContact O-N 2.88Å; L131-R133 VanDerWaalsContact O-N 3.08Å
132	K	83.6	Confident	86.3	Confident	145 Å²	145	43.5 Å²	43.5	63%	0.63	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	46.1	36.6	-173.1	-63.5	-170.8	175.7	-172.9	0	113.5	W127 S128 E130	W127-K132 HydrophobicContact CH2-CB 4.25Å; W127-K132 WeakPolarHBondContact CH2-O 3.27Å; W127-K132 HydrophobicContact CZ2-CB 4.32Å; S128-K132 WeakPolarHBondContact O-CA 3.39Å; S128-K132 PolarHBondContact O-N 3.24Å; E130-K132 VanDerWaalsContact C-N 3.34Å
133	R	86.3	Confident	86	Confident	113 Å²	113	45 Å²	45	43%	0.426	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	157.2	180	70.9	-174	-179.5	168.5	0.2	110.8	V14 S128 L131	V14-R133 HydrophobicContact CG1-CB 4.26Å; S128-R133 PolarHBondContact N-O 2.83Å; L131-R133 HydrophobicContact CB-CG 3.75Å; L131-R133 PolarHBondContact O-N 2.88Å; L131-R133 VanDerWaalsContact O-N 3.08Å
134	F	89.3	Confident	85.8	Confident	2 Å²	2	45 Å²	45	1%	0.009	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	139.2	166.1	-69.8	-81.8	0	0	0	109.5	V16 L71 V77 V91 F118 F125 V126 W127	V16-F134 WeakPolarHBondContact CG1-O 3.35Å; L71-F134 HydrophobicContact CB-CD2 4.42Å; L71-F134 HydrophobicContact CB-CE2 4.03Å; L71-F134 HydrophobicContact CD1-CD2 4.45Å; L71-F134 HydrophobicContact CD2-CD2 4.39Å; L71-F134 HydrophobicContact CD2-CE2 4.16Å; V77-F134 HydrophobicContact CG1-CE2 4.34Å; V91-F134 HydrophobicContact CG1-CZ 4.27Å; F118-F134 AromaticContact CD1-CD1 3.76Å; F118-F134 HydrophobicContact CD1-CD1 3.76Å; F118-F134 HydrophobicContact CD1-CD2 4.21Å; F118-F134 AromaticContact CD1-CE1 3.9Å; F118-F134 HydrophobicContact CD1-CE1 3.9Å; F118-F134 HydrophobicContact CD1-CE2 4.33Å; F118-F134 AromaticContact CD1-CG 3.93Å; F118-F134 HydrophobicContact CD1-CG 3.93Å; F118-F134 HydrophobicContact CD1-CZ 4.19Å; F118-F134 HydrophobicContact CE1-CB 3.76Å; F118-F134 AromaticContact CE1-CD1 3.81Å; F118-F134 HydrophobicContact CE1-CD1 3.81Å; F118-F134 AromaticContact CE1-CD2 3.81Å; F118-F134 HydrophobicContact CE1-CD2 3.81Å; F118-F134 HydrophobicContact CE1-CE1 4.35Å; F118-F134 HydrophobicContact CE1-CE2 4.34Å; F118-F134 AromaticContact CE1-CG 3.52Å; F118-F134 HydrophobicContact CE1-CG 3.52Å; F125-F134 HydrophobicContact CB-CB 4.28Å; V126-F134 CarbonylContact O-C 3.58Å; V126-F134 VanDerWaalsContact O-CA 3.28Å; V126-F134 WeakPolarHBondContact O-CA 3.38Å; W127-F134 HydrophobicContact CB-CD1 4.02Å; W127-F134 HydrophobicContact CB-CE1 3.75Å; W127-F134 HydrophobicContact CB-CZ 4.41Å; W127-F134 HydrophobicContact CE3-CD1 4.17Å; W127-F134 AromaticContact CE3-CD2 3.76Å; W127-F134 HydrophobicContact CE3-CD2 3.76Å; W127-F134 HydrophobicContact CE3-CE1 4.08Å; W127-F134 AromaticContact CE3-CE2 3.66Å; W127-F134 HydrophobicContact CE3-CE2 3.66Å; W127-F134 HydrophobicContact CE3-CG 4.01Å; W127-F134 AromaticContact CE3-CZ 3.82Å; W127-F134 HydrophobicContact CE3-CZ 3.82Å; W127-F134 HydrophobicContact CZ3-CD2 4.07Å; W127-F134 HydrophobicContact CZ3-CE2 4.03Å
135	F	86.2	Confident	85.5	Confident	40 Å²	40	44.5 Å²	44.5	18%	0.175	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	156.7	173	67.9	-81.1	0	0	0	109.7	Y102 F125 V126	Y102-F135 HydrophobicContact CD2-CZ 4.17Å; Y102-F135 HydrophobicContact CE2-CE2 4.26Å; Y102-F135 AromaticContact CE2-CZ 3.58Å; Y102-F135 HydrophobicContact CE2-CZ 3.58Å; F125-F135 CarbonylContact C-O 3.57Å; F125-F135 VanDerWaalsContact CA-O 3.27Å; F125-F135 WeakPolarHBondContact CA-O 3.31Å; V126-F135 HydrophobicContact CB-CE1 4.16Å; V126-F135 HydrophobicContact CB-CZ 4.1Å; V126-F135 HydrophobicContact CG1-CE1 4.25Å; V126-F135 HydrophobicContact CG1-CZ 4.24Å; V126-F135 PolarHBondContact N-O 3.37Å; V126-F135 WeakPolarHBondContact O-CD1 3.42Å; V126-F135 WeakPolarHBondContact O-CE1 3.24Å; V126-F135 PolarHBondContact O-N 3.22Å
136	L	86.6	Confident	85.1	Confident	24 Å²	24	44.7 Å²	44.7	13%	0.126	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	133.8	177.7	179.1	64.6	0	0	0	110.2	I18 Q123 F125 T138	I18-L136 WeakPolarHBondContact O-CD2 3.34Å; Q123-L136 HydrophobicContact CB-CD1 3.65Å; Q123-L136 HydrophobicContact CG-CD1 3.76Å; F125-L136 HydrophobicContact CD1-CB 4.41Å; F125-L136 HydrophobicContact CE1-CB 4.19Å; F125-L136 HydrophobicContact CE1-CD1 4.23Å; F125-L136 HydrophobicContact CZ-CD1 4.18Å; L136-T138 WeakPolarHBondContact O-CG2 3.34Å; L136-T138 PolarHBondContact O-N 2.97Å
137	L	87.3	Confident	84.7	Confident	5 Å²	5	47.4 Å²	47.4	3%	0.026	23%	0.231	C	C	.	.			trans	-69.1	109.3	172	-177.8	65.2	0	0	0	110.1	Y102 K124 V126 Y167 N356	Y102-L137 HydrophobicContact CG-CD1 4.37Å; K124-L137 HydrophobicContact CB-CB 4.43Å; K124-L137 HydrophobicContact CB-CD2 4.47Å; K124-L137 HydrophobicContact CD-CD2 4.11Å; K124-L137 WeakPolarHBondContact O-CB 3.5Å; K124-L137 PolarHBondContact O-N 3.24Å; V126-L137 HydrophobicContact CG2-CB 4.19Å; V126-L137 HydrophobicContact CG2-CD1 4.37Å; L137-Y167 HydrophobicContact CD1-CE1 3.95Å; L137-Y167 HydrophobicContact CD1-CE2 4.31Å; L137-Y167 HydrophobicContact CD2-CD1 3.69Å; L137-Y167 HydrophobicContact CD2-CE1 3.82Å; L137-Y167 HydrophobicContact CD2-CG 4.08Å; L137-Y167 HydrophobicContact CG-CD1 3.99Å; L137-Y167 HydrophobicContact CG-CE1 3.57Å; L137-N356 PolarHBondContact O-ND2 2.99Å
138	T	85.1	Confident	84.5	Confident	20 Å²	20	49.8 Å²	49.8	12%	0.123	25%	0.246	C	C	.	.			trans	-97.3	165.4	-172.6	51.1	0	0	0	0	112.3	L136 Q142 Y167	L136-T138 WeakPolarHBondContact O-CG2 3.34Å; L136-T138 PolarHBondContact O-N 2.97Å; T138-Q142 VanDerWaalsContact CB-CD 3.41Å; T138-Q142 VanDerWaalsContact CG2-CD 3.43Å; T138-Q142 HydrophobicContact CG2-CG 4.38Å; T138-Q142 PolarHBondContact OG1-OE1 3.17Å; T138-Y167 WeakPolarHBondContact O-CE1 3.24Å; T138-Y167 VanDerWaalsContact O-CZ 3.29Å; T138-Y167 PolarHBondContact O-OH 3.48Å
139	G	87.1	Confident	84.5	Confident	5 Å²	5	49.4 Å²	49.4	5%	0.052	24%	0.243	C	C	.	.			trans	-90.3	-166.4	-177.9	0	0	0	0	0	113.4	D141 T351	G139-D141 WeakPolarHBondContact CA-OD1 3.45Å; G139-D141 PolarHBondContact N-OD1 3.25Å; G139-D141 PolarHBondContact O-N 2.68Å; G139-D141 VanDerWaalsContact O-N 3.1Å; G139-T351 CarbonylContact C-O 3.51Å; G139-T351 WeakPolarHBondContact CA-O 3.2Å
140	Y	89.1	Confident	84.6	Confident	13 Å²	13	46.9 Å²	46.9	5%	0.051	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.1	60.2	170.5	-163.5	-97.5	0	0	0	110.1	L103 I144 M149 W155 I349 T351	L103-Y140 HydrophobicContact CD1-CD2 3.92Å; L103-Y140 HydrophobicContact CD1-CG 4.39Å; L103-Y140 HydrophobicContact CD2-CD2 3.96Å; L103-Y140 HydrophobicContact CD2-CE2 4.5Å; Y140-I144 VanDerWaalsContact C-CD1 3.43Å; Y140-I144 HydrophobicContact CD1-CD1 3.45Å; Y140-I144 VanDerWaalsContact CD1-CD1 3.45Å; Y140-I144 HydrophobicContact CD2-CD1 3.67Å; Y140-I144 HydrophobicContact CE1-CD1 3.54Å; Y140-I144 HydrophobicContact CE1-CG2 4.12Å; Y140-I144 HydrophobicContact CE2-CD1 3.74Å; Y140-I144 HydrophobicContact CG-CD1 3.52Å; Y140-M149 HydrophobicContact CE1-CG 4.3Å; Y140-W155 HydrophobicContact CE2-CZ2 4.48Å; Y140-I349 HydrophobicContact CD1-CG2 3.78Å; Y140-I349 HydrophobicContact CE1-CG2 4.09Å; Y140-T351 PolarHBondContact N-O 3.22Å; Y140-T351 WeakPolarHBondContact O-CG2 3.46Å
141	D	83.6	Confident	84.7	Confident	25 Å²	25	44 Å²	44	13%	0.134	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-143.3	-5.7	-173	64.2	-35.2	0	0	0	114.6	G139 Y319 R352	G139-D141 WeakPolarHBondContact CA-OD1 3.45Å; G139-D141 PolarHBondContact N-OD1 3.25Å; G139-D141 PolarHBondContact O-N 2.68Å; G139-D141 VanDerWaalsContact O-N 3.1Å; D141-Y319 HydrophobicContact CB-CD1 4.47Å; D141-Y319 HydrophobicContact CB-CE1 4.18Å; D141-R352 IonicContact OD2-CZ 2.93Å; D141-R352 IonicContact OD2-NE 3.79Å; D141-R352 PolarHBondContact OD2-NE 2.83Å; D141-R352 IonicContact OD2-NH2 3.6Å; D141-R352 PolarHBondContact OD2-NH2 3.49Å
142	Q	80.7	Confident	85	Confident	63 Å²	63	41.1 Å²	41.1	29%	0.294	20%	0.199	S	C	.	.	S	Bend	trans	-93.8	116.4	-176.5	-62.4	-163.6	-45.3	0	0	112.6	N105 G106 T138 I144	N105-Q142 PolarHBondContact OD1-OE1 3.27Å; N105-Q142 VanDerWaalsContact OD1-OE1 3.05Å; G106-Q142 PolarHBondContact N-O 2.91Å; T138-Q142 VanDerWaalsContact CB-CD 3.41Å; T138-Q142 VanDerWaalsContact CG2-CD 3.43Å; T138-Q142 HydrophobicContact CG2-CG 4.38Å; T138-Q142 PolarHBondContact OG1-OE1 3.17Å; Q142-I144 WeakPolarHBondContact O-CG1 3.39Å; Q142-I144 PolarHBondContact O-N 3.07Å; Q142-I144 VanDerWaalsContact O-N 3.14Å
143	N	80.8	Confident	85	Confident	89 Å²	89	40.4 Å²	40.4	48%	0.476	20%	0.201	S	C	.	.	S	Bend	trans	53.6	30.6	172.9	-75.3	-11.6	0	0	0	115.6	G106	G106-N143 WeakPolarHBondContact CA-O 3.35Å
144	I	84.5	Confident	85	Confident	1 Å²	1	35.9 Å²	35.9	1%	0.005	19%	0.19	C	C	.	.			trans	-89.7	135.7	179.4	-48.9	-174.4	0	0	0	109.4	Y140 Q142 D148 M149 I318 Y319	Y140-I144 VanDerWaalsContact C-CD1 3.43Å; Y140-I144 HydrophobicContact CD1-CD1 3.45Å; Y140-I144 VanDerWaalsContact CD1-CD1 3.45Å; Y140-I144 HydrophobicContact CD2-CD1 3.67Å; Y140-I144 HydrophobicContact CE1-CD1 3.54Å; Y140-I144 HydrophobicContact CE1-CG2 4.12Å; Y140-I144 HydrophobicContact CE2-CD1 3.74Å; Y140-I144 HydrophobicContact CG-CD1 3.52Å; Q142-I144 WeakPolarHBondContact O-CG1 3.39Å; Q142-I144 PolarHBondContact O-N 3.07Å; Q142-I144 VanDerWaalsContact O-N 3.14Å; I144-D148 HydrophobicContact CG2-CB 4.2Å; I144-M149 HydrophobicContact CB-CG 4.47Å; I144-M149 HydrophobicContact CG2-CG 3.7Å; I144-I318 CarbonylContact O-C 3.52Å; I144-I318 WeakPolarHBondContact O-CA 3.43Å; I144-Y319 PolarHBondContact O-N 3.05Å
145	T	84.3	Confident	85.1	Confident	29 Å²	29	36.9 Å²	36.9	18%	0.178	19%	0.194	C	C	.	.	B	Isolated β-bridge	trans	-77.1	149	176.4	79	0	0	0	0	111.4	H147 D148 M149 M317	T145-H147 PolarHBondContact O-N 3.19Å; T145-D148 WeakPolarHBondContact CB-OD2 3.44Å; T145-D148 PolarHBondContact O-N 3.08Å; T145-D148 VanDerWaalsContact O-N 3.14Å; T145-D148 PolarHBondContact OG1-N 3Å; T145-D148 VanDerWaalsContact OG1-N 3.1Å; T145-D148 PolarHBondContact OG1-OD2 2.93Å; T145-M149 WeakPolarHBondContact O-CG 3.42Å; T145-M149 PolarHBondContact O-N 3.04Å; T145-M149 VanDerWaalsContact O-N 3.09Å; T145-M317 CarbonylContact C-O 3.57Å; T145-M317 VanDerWaalsContact CA-O 3.3Å; T145-M317 WeakPolarHBondContact CA-O 3.48Å
146	V	82.8	Confident	85.3	Confident	3 Å²	3	37.5 Å²	37.5	2%	0.018	20%	0.201	C	C	.	.	H	α-helix	trans	-59	-32.8	175.7	171.8	0	0	0	0	111.1	H150 L307 M317	V146-H150 PolarHBondContact O-CD2 2.68Å; V146-H150 PolarHBondContact O-N 2.89Å; V146-H150 VanDerWaalsContact O-N 3.17Å; V146-L307 HydrophobicContact CG1-CB 4.22Å; V146-L307 HydrophobicContact CG1-CD1 4.28Å; V146-L307 HydrophobicContact CG1-CD2 4.48Å; V146-L307 HydrophobicContact CG2-CD2 4.46Å; V146-M317 HydrophobicContact CG2-CB 4.13Å; V146-M317 HydrophobicContact CG2-CG 4.16Å; V146-M317 PolarHBondContact N-O 3.42Å
147	H	82.1	Confident	85.4	Confident	61 Å²	61	39.5 Å²	39.5	28%	0.282	22%	0.217	S	C	.	.	H	α-helix	trans	-65.3	-45.6	174.8	-172.9	60.5	0	0	0	112.6	T145 M149 H150 N151 A314 K315	T145-H147 PolarHBondContact O-N 3.19Å; H147-M149 VanDerWaalsContact C-N 3.29Å; H147-M149 PolarHBondContact O-N 3.04Å; H147-H150 PolarHBondContact O-N 3.41Å; H147-N151 PolarHBondContact CD2-ND2 2.88Å; H147-N151 PolarHBondContact CE1-ND2 3.27Å; H147-N151 PolarHBondContact NE2-ND2 3.28Å; H147-N151 PolarHBondContact O-N 3.26Å; H147-N151 VanDerWaalsContact O-N 3.08Å; H147-N151 PolarHBondContact O-ND2 3.41Å; H147-A314 PolarHBondContact N-O 3.46Å; H147-K315 HydrophobicContact CB-CG 4.21Å
148	D	84.7	Confident	85.5	Confident	73 Å²	73	45.3 Å²	45.3	39%	0.39	24%	0.244	S	C	.	.	H	α-helix	trans	-66.5	-33.3	179.5	-58.7	-35.2	0	0	0	111.7	I144 T145 H152	I144-D148 HydrophobicContact CG2-CB 4.2Å; T145-D148 WeakPolarHBondContact CB-OD2 3.44Å; T145-D148 PolarHBondContact O-N 3.08Å; T145-D148 VanDerWaalsContact O-N 3.14Å; T145-D148 PolarHBondContact OG1-N 3Å; T145-D148 VanDerWaalsContact OG1-N 3.1Å; T145-D148 PolarHBondContact OG1-OD2 2.93Å; D148-H152 PolarHBondContact O-N 3.39Å
149	M	86.3	Confident	85.8	Confident	0 Å²	0	47.2 Å²	47.2	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-63.4	-45	171.6	-64.6	-169.3	80.4	0	0	111.5	Y140 I144 T145 H147 N151 H152 V282 L307 Y319 I349 T351	Y140-M149 HydrophobicContact CE1-CG 4.3Å; I144-M149 HydrophobicContact CB-CG 4.47Å; I144-M149 HydrophobicContact CG2-CG 3.7Å; T145-M149 WeakPolarHBondContact O-CG 3.42Å; T145-M149 PolarHBondContact O-N 3.04Å; T145-M149 VanDerWaalsContact O-N 3.09Å; H147-M149 VanDerWaalsContact C-N 3.29Å; H147-M149 PolarHBondContact O-N 3.04Å; M149-N151 VanDerWaalsContact C-N 3.34Å; M149-N151 PolarHBondContact O-N 3.38Å; M149-H152 WeakPolarHBondContact O-CB 3.44Å; M149-H152 PolarHBondContact O-N 3.24Å; M149-V282 HydrophobicContact CE-CB 3.72Å; M149-V282 HydrophobicContact CE-CG1 3.87Å; M149-V282 HydrophobicContact CE-CG2 4.01Å; M149-L307 HydrophobicContact CB-CD1 4.42Å; M149-L307 HydrophobicContact SD-CD1 4.03Å; M149-Y319 VanDerWaalsContact SD-CB 3.6Å; M149-Y319 HydrophobicContact SD-CD1 4.42Å; M149-Y319 HydrophobicContact SD-CD2 4.04Å; M149-Y319 HydrophobicContact SD-CG 3.76Å; M149-I349 HydrophobicContact CB-CD1 4.16Å; M149-I349 WeakPolarHBondContact O-CD1 3.44Å; M149-T351 HydrophobicContact CE-CG2 4.34Å
150	H	84.1	Confident	86	Confident	33 Å²	33	47.5 Å²	47.5	15%	0.153	25%	0.252	C	S	.	.	H	α-helix	trans	-66.1	-33.9	179.3	-87.9	-65.8	0	0	0	114	V146 H147 H152 I284 L307 V309	V146-H150 PolarHBondContact O-CD2 2.68Å; V146-H150 PolarHBondContact O-N 2.89Å; V146-H150 VanDerWaalsContact O-N 3.17Å; H147-H150 PolarHBondContact O-N 3.41Å; H150-H152 VanDerWaalsContact C-N 3.26Å; H150-H152 PolarHBondContact O-N 3.46Å; H150-I284 PolarHBondContact CE1-O 2.96Å; H150-L307 PolarHBondContact CE1-O 2.83Å; H150-L307 WeakPolarHBondContact NE2-CB 3.18Å; H150-L307 PolarHBondContact NE2-O 2.93Å; H150-V309 WeakPolarHBondContact CE1-CG2 3.37Å; H150-V309 WeakPolarHBondContact NE2-CG2 3.43Å
151	N	83.8	Confident	86.1	Confident	93 Å²	93	50.8 Å²	50.8	50%	0.497	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.6	3.8	179	-63	-23.4	0	0	0	113.3	H147 M149 D153	H147-N151 PolarHBondContact CD2-ND2 2.88Å; H147-N151 PolarHBondContact CE1-ND2 3.27Å; H147-N151 PolarHBondContact NE2-ND2 3.28Å; H147-N151 PolarHBondContact O-N 3.26Å; H147-N151 VanDerWaalsContact O-N 3.08Å; H147-N151 PolarHBondContact O-ND2 3.41Å; M149-N151 VanDerWaalsContact C-N 3.34Å; M149-N151 PolarHBondContact O-N 3.38Å; N151-D153 PolarHBondContact O-N 3.05Å
152	H	86.4	Confident	86.5	Confident	27 Å²	27	50.6 Å²	50.6	13%	0.125	27%	0.268	C	S	.	.			trans	-80.5	106.1	-179.1	-167.5	66	0	0	0	110.6	D148 M149 H150 G154 W155 G265 V267 I349	D148-H152 PolarHBondContact O-N 3.39Å; M149-H152 WeakPolarHBondContact O-CB 3.44Å; M149-H152 PolarHBondContact O-N 3.24Å; H150-H152 VanDerWaalsContact C-N 3.26Å; H150-H152 PolarHBondContact O-N 3.46Å; H152-G154 VanDerWaalsContact C-N 3.26Å; H152-G154 PolarHBondContact O-N 3.07Å; H152-W155 AromaticContact CE1-CH2 3.78Å; H152-W155 AromaticContact CE1-CZ2 3.88Å; H152-W155 AromaticContact CE1-CZ3 3.86Å; H152-W155 AromaticContact NE2-CE2 3.91Å; H152-G265 PolarHBondContact CD2-O 2.95Å; H152-G265 PolarHBondContact NE2-O 3.06Å; H152-V267 WeakPolarHBondContact O-CG2 3.26Å; H152-I349 HydrophobicContact CB-CD1 3.86Å
153	D	84.1	Confident	87	Confident	129 Å²	129	47.6 Å²	47.6	69%	0.69	25%	0.254	S	S	*	.			trans	-85.8	11.5	-177	-70.5	-39.3	0	0	0	114.3	N151	N151-D153 PolarHBondContact O-N 3.05Å
154	G	86.6	Confident	87.5	Confident	19 Å²	19	45 Å²	45	20%	0.196	25%	0.245	C	C	.	.			trans	90.8	171.6	-179.5	0	0	0	0	0	113.8	H152	H152-G154 VanDerWaalsContact C-N 3.26Å; H152-G154 PolarHBondContact O-N 3.07Å
155	W	91	Very high	87.8	Confident	22 Å²	22	46.5 Å²	46.5	8%	0.083	26%	0.258	C	S	.	.			trans	-85.6	154.1	-177.5	-66.3	127.7	0	0	0	112.9	L103 L109 Y140 H152 H159 V160 L163 R250 D251 P264 G265	L103-W155 HydrophobicContact CD2-CH2 4.46Å; L103-W155 HydrophobicContact CD2-CZ2 4.18Å; L109-W155 HydrophobicContact CD1-CE3 4.25Å; L109-W155 HydrophobicContact CD1-CH2 3.74Å; L109-W155 HydrophobicContact CD1-CZ3 3.46Å; L109-W155 VanDerWaalsContact CD1-CZ3 3.46Å; L109-W155 HydrophobicContact CD2-CH2 3.96Å; L109-W155 HydrophobicContact CD2-CZ2 4.33Å; L109-W155 HydrophobicContact CD2-CZ3 4.44Å; L109-W155 HydrophobicContact CG-CH2 3.85Å; L109-W155 HydrophobicContact CG-CZ3 4.11Å; Y140-W155 HydrophobicContact CE2-CZ2 4.48Å; H152-W155 AromaticContact CE1-CH2 3.78Å; H152-W155 AromaticContact CE1-CZ2 3.88Å; H152-W155 AromaticContact CE1-CZ3 3.86Å; H152-W155 AromaticContact NE2-CE2 3.91Å; W155-H159 HydrophobicContact CB-CB 4.36Å; W155-H159 HydrophobicContact CE3-CB 4.28Å; W155-H159 AromaticContact CE3-ND1 3.98Å; W155-V160 HydrophobicContact CB-CG2 3.59Å; W155-V160 HydrophobicContact CG-CG2 4.44Å; W155-L163 HydrophobicContact CD2-CD1 4.08Å; W155-L163 HydrophobicContact CG-CD1 4.2Å; W155-L163 HydrophobicContact CZ2-CD1 4.29Å; W155-R250 WeakPolarHBondContact O-CA 3.36Å; W155-D251 PolarHBondContact O-N 3.49Å; W155-P264 PolarHBondContact NE1-O 2.9Å; W155-G265 VanDerWaalsContact NE1-C 3.26Å; W155-G265 VanDerWaalsContact NE1-CA 3.28Å
156	T	90.8	Very high	88.1	Confident	53 Å²	53	45.1 Å²	45.1	33%	0.325	25%	0.249	S	C	.	.			trans	-77.1	154.3	165.6	61.5	0	0	0	0	110.3	E158 H159 V160 D251	T156-E158 PolarHBondContact O-N 3.21Å; T156-E158 VanDerWaalsContact O-N 3.15Å; T156-H159 PolarHBondContact O-N 2.94Å; T156-H159 VanDerWaalsContact O-N 3.08Å; T156-H159 VanDerWaalsContact OG1-CG 3.23Å; T156-H159 PolarHBondContact OG1-N 3.2Å; T156-H159 PolarHBondContact OG1-ND1 2.84Å; T156-H159 VanDerWaalsContact OG1-ND1 3.1Å; T156-V160 WeakPolarHBondContact O-CG2 3.24Å; T156-V160 PolarHBondContact O-N 3.47Å; T156-D251 WeakPolarHBondContact CA-OD1 3.37Å; T156-D251 VanDerWaalsContact CB-OD1 3.25Å; T156-D251 WeakPolarHBondContact CB-OD1 3.07Å
157	S	88.3	Confident	88.5	Confident	66 Å²	66	46.1 Å²	46.1	46%	0.462	25%	0.253	S	S	.	.	H	α-helix	trans	-56.6	-32.1	178.4	-68	0	0	0	0	113.2	D161 D251	S157-D161 PolarHBondContact O-N 2.88Å; S157-D251 VanDerWaalsContact CB-OD2 3.28Å; S157-D251 WeakPolarHBondContact CB-OD2 3.45Å; S157-D251 PolarHBondContact N-OD1 3.36Å; S157-D251 PolarHBondContact N-OD2 3.13Å; S157-D251 PolarHBondContact OG-OD2 2.68Å
158	E	89.2	Confident	88.9	Confident	128 Å²	128	44.1 Å²	44.1	60%	0.598	25%	0.248	S	C	*	.	H	α-helix	trans	-67.4	-46.7	175	-171.9	-172.2	160.1	0	0	112.3	T156 V160 D161 R162	T156-E158 PolarHBondContact O-N 3.21Å; T156-E158 VanDerWaalsContact O-N 3.15Å; E158-V160 VanDerWaalsContact C-N 3.28Å; E158-V160 PolarHBondContact O-N 3.4Å; E158-D161 PolarHBondContact O-N 3.47Å; E158-R162 WeakPolarHBondContact O-CG 3.4Å; E158-R162 PolarHBondContact O-N 3.31Å
159	H	91.5	Very high	89.2	Confident	59 Å²	59	44.3 Å²	44.3	27%	0.273	25%	0.254	S	S	.	.	H	α-helix	trans	-61.6	-39.9	177.2	-68.3	155.5	0	0	0	111.4	L101 W155 T156 R162 L163	L101-H159 HydrophobicContact CD1-CB 4.28Å; W155-H159 HydrophobicContact CB-CB 4.36Å; W155-H159 HydrophobicContact CE3-CB 4.28Å; W155-H159 AromaticContact CE3-ND1 3.98Å; T156-H159 PolarHBondContact O-N 2.94Å; T156-H159 VanDerWaalsContact O-N 3.08Å; T156-H159 VanDerWaalsContact OG1-CG 3.23Å; T156-H159 PolarHBondContact OG1-N 3.2Å; T156-H159 PolarHBondContact OG1-ND1 2.84Å; T156-H159 VanDerWaalsContact OG1-ND1 3.1Å; H159-R162 PolarHBondContact O-N 2.86Å; H159-L163 WeakPolarHBondContact O-CB 3.43Å; H159-L163 WeakPolarHBondContact O-CG 3.19Å; H159-L163 PolarHBondContact O-N 3.46Å
160	V	90.7	Very high	89.4	Confident	11 Å²	11	44.7 Å²	44.7	7%	0.067	26%	0.256	C	S	.	.	H	α-helix	trans	-60.3	-47.7	178.1	173.1	0	0	0	0	111.5	W155 T156 E158 R162 L163 A164 R250 V263	W155-V160 HydrophobicContact CB-CG2 3.59Å; W155-V160 HydrophobicContact CG-CG2 4.44Å; T156-V160 WeakPolarHBondContact O-CG2 3.24Å; T156-V160 PolarHBondContact O-N 3.47Å; E158-V160 VanDerWaalsContact C-N 3.28Å; E158-V160 PolarHBondContact O-N 3.4Å; V160-R162 VanDerWaalsContact C-N 3.27Å; V160-R162 PolarHBondContact O-N 2.9Å; V160-L163 PolarHBondContact O-N 3.12Å; V160-A164 WeakPolarHBondContact O-CB 3.48Å; V160-A164 PolarHBondContact O-N 2.93Å; V160-R250 HydrophobicContact CG2-CG 4.46Å; V160-V263 HydrophobicContact CG1-CG2 4.29Å; V160-V263 HydrophobicContact CG2-CG2 4.32Å
161	D	91.3	Very high	89.5	Confident	83 Å²	83	46 Å²	46	44%	0.444	26%	0.262	S	S	.	.	H	α-helix	trans	-60.9	-38.3	-180	177.6	32.6	0	0	0	111.9	R96 S157 E158 A165	R96-D161 IonicContact CZ-OD1 2.63Å; R96-D161 IonicContact CZ-OD2 3.32Å; R96-D161 PolarHBondContact NH1-O 2.93Å; R96-D161 IonicContact NH1-OD1 3.82Å; R96-D161 PolarHBondContact NH1-OD1 3.48Å; R96-D161 IonicContact NH1-OD2 3.57Å; R96-D161 IonicContact NH2-OD1 2.67Å; R96-D161 PolarHBondContact NH2-OD1 2.93Å; R96-D161 IonicContact NH2-OD2 3.81Å; R96-D161 PolarHBondContact NH2-OD2 3.33Å; S157-D161 PolarHBondContact O-N 2.88Å; E158-D161 PolarHBondContact O-N 3.47Å; D161-A165 PolarHBondContact O-N 3.16Å
162	R	92.1	Very high	89.5	Confident	20 Å²	20	42.6 Å²	42.6	8%	0.075	24%	0.244	C	C	.	.	H	α-helix	trans	-73.7	-39	178.5	-64.2	173.2	65.7	-172	-6.2	112.6	G98 L101 E111 E158 H159 V160 A165 S166	G98-R162 WeakPolarHBondContact O-CD 3.5Å; G98-R162 PolarHBondContact O-NE 3.14Å; L101-R162 HydrophobicContact CB-CB 4.11Å; L101-R162 HydrophobicContact CD1-CB 3.81Å; L101-R162 HydrophobicContact CG-CB 3.81Å; E111-R162 IonicContact OE1-NH2 3.24Å; E111-R162 PolarHBondContact OE1-NH2 3.49Å; E111-R162 IonicContact OE2-CZ 3.89Å; E111-R162 IonicContact OE2-NH1 3.76Å; E111-R162 PolarHBondContact OE2-NH1 3.25Å; E111-R162 IonicContact OE2-NH2 2.69Å; E111-R162 PolarHBondContact OE2-NH2 3.36Å; E158-R162 WeakPolarHBondContact O-CG 3.4Å; E158-R162 PolarHBondContact O-N 3.31Å; H159-R162 PolarHBondContact O-N 2.86Å; V160-R162 VanDerWaalsContact C-N 3.27Å; V160-R162 PolarHBondContact O-N 2.9Å; R162-A165 WeakPolarHBondContact O-CB 3.45Å; R162-A165 PolarHBondContact O-N 2.85Å; R162-S166 PolarHBondContact O-N 2.99Å; R162-S166 PolarHBondContact O-OG 3.17Å
163	L	92.3	Very high	89.2	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-67.3	-43.7	173.4	-77	166.5	0	0	0	111.4	L101 L109 W155 H159 V160 A165 S166 Y167 V263	L101-L163 HydrophobicContact CB-CD2 3.99Å; L101-L163 HydrophobicContact CB-CG 4.07Å; L109-L163 HydrophobicContact CD2-CD1 4.31Å; L109-L163 HydrophobicContact CD2-CD2 3.9Å; L109-L163 HydrophobicContact CD2-CG 4.4Å; W155-L163 HydrophobicContact CD2-CD1 4.08Å; W155-L163 HydrophobicContact CG-CD1 4.2Å; W155-L163 HydrophobicContact CZ2-CD1 4.29Å; H159-L163 WeakPolarHBondContact O-CB 3.43Å; H159-L163 WeakPolarHBondContact O-CG 3.19Å; H159-L163 PolarHBondContact O-N 3.46Å; V160-L163 PolarHBondContact O-N 3.12Å; L163-A165 PolarHBondContact O-N 3.36Å; L163-S166 PolarHBondContact O-N 3.36Å; L163-Y167 HydrophobicContact CD2-CD2 4.26Å; L163-Y167 HydrophobicContact CD2-CE2 3.86Å; L163-Y167 WeakPolarHBondContact O-CD2 3.37Å; L163-Y167 PolarHBondContact O-N 2.89Å; L163-V263 HydrophobicContact CB-CB 4.13Å; L163-V263 HydrophobicContact CB-CG1 4.16Å; L163-V263 HydrophobicContact CB-CG2 4.2Å; L163-V263 HydrophobicContact CD1-CG2 4.19Å
164	A	91.6	Very high	88.8	Confident	35 Å²	35	38.6 Å²	38.6	29%	0.289	22%	0.223	S	C	.	.	H	α-helix	trans	-59.8	-33.8	177.3	0	0	0	0	0	111.5	V160 S166 G168 V263	V160-A164 WeakPolarHBondContact O-CB 3.48Å; V160-A164 PolarHBondContact O-N 2.93Å; A164-S166 VanDerWaalsContact C-N 3.35Å; A164-S166 PolarHBondContact O-N 3.45Å; A164-G168 WeakPolarHBondContact O-CA 3.44Å; A164-G168 PolarHBondContact O-N 3.34Å; A164-V263 HydrophobicContact CB-CG1 3.92Å
165	A	90.1	Very high	88.4	Confident	32 Å²	32	44.5 Å²	44.5	26%	0.264	25%	0.246	S	C	.	.	H	α-helix	trans	-61.6	-40.7	172.3	0	0	0	0	0	113	Y100 D161 R162 L163	Y100-A165 HydrophobicContact CD1-CB 3.85Å; Y100-A165 HydrophobicContact CE1-CB 3.9Å; D161-A165 PolarHBondContact O-N 3.16Å; R162-A165 WeakPolarHBondContact O-CB 3.45Å; R162-A165 PolarHBondContact O-N 2.85Å; L163-A165 PolarHBondContact O-N 3.36Å
166	S	90.4	Very high	88	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-80.2	-46	-176.5	-59	0	0	0	0	112.7	L101 K124 R162 L163 A164	L101-S166 PolarHBondContact N-OG 2.85Å; L101-S166 WeakPolarHBondContact O-CB 3.34Å; L101-S166 PolarHBondContact O-OG 3.18Å; K124-S166 PolarHBondContact NZ-O 2.76Å; R162-S166 PolarHBondContact O-N 2.99Å; R162-S166 PolarHBondContact O-OG 3.17Å; L163-S166 PolarHBondContact O-N 3.36Å; A164-S166 VanDerWaalsContact C-N 3.35Å; A164-S166 PolarHBondContact O-N 3.45Å
167	Y	90.8	Very high	87.7	Confident	25 Å²	25	48.9 Å²	48.9	10%	0.098	26%	0.263	C	S	.	.	H	α-helix	trans	-81.9	-33.4	-178.6	-73.7	-89.4	0	0	0	112.1	L103 L137 T138 L163 P264	L103-Y167 WeakPolarHBondContact CB-OH 3.3Å; L103-Y167 PolarHBondContact N-OH 3.41Å; L137-Y167 HydrophobicContact CD1-CE1 3.95Å; L137-Y167 HydrophobicContact CD1-CE2 4.31Å; L137-Y167 HydrophobicContact CD2-CD1 3.69Å; L137-Y167 HydrophobicContact CD2-CE1 3.82Å; L137-Y167 HydrophobicContact CD2-CG 4.08Å; L137-Y167 HydrophobicContact CG-CD1 3.99Å; L137-Y167 HydrophobicContact CG-CE1 3.57Å; T138-Y167 WeakPolarHBondContact O-CE1 3.24Å; T138-Y167 VanDerWaalsContact O-CZ 3.29Å; T138-Y167 PolarHBondContact O-OH 3.48Å; L163-Y167 HydrophobicContact CD2-CD2 4.26Å; L163-Y167 HydrophobicContact CD2-CE2 3.86Å; L163-Y167 WeakPolarHBondContact O-CD2 3.37Å; L163-Y167 PolarHBondContact O-N 2.89Å; Y167-P264 HydrophobicContact CD1-CG 3.79Å; Y167-P264 HydrophobicContact CD2-CG 4.47Å; Y167-P264 HydrophobicContact CE1-CG 3.73Å; Y167-P264 HydrophobicContact CE2-CG 4.44Å; Y167-P264 HydrophobicContact CG-CG 4.18Å
168	G	89.9	Confident	87.8	Confident	18 Å²	18	47.9 Å²	47.9	19%	0.186	26%	0.256	C	S	.	.			trans	81.4	-176.5	-168.1	0	0	0	0	0	111.9	A164	A164-G168 WeakPolarHBondContact O-CA 3.44Å; A164-G168 PolarHBondContact O-N 3.34Å
169	P	91.1	Very high	87.8	Confident	78 Å²	78	45.4 Å²	45.4	51%	0.506	25%	0.251	S	S	.	.			trans	-67.1	144.7	179.5	27.7	-33.9	0	0	0	112.1	E171 T260	P169-E171 HydrophobicContact CB-CG 4.03Å; P169-E171 HydrophobicContact CG-CG 3.88Å; P169-E171 PolarHBondContact O-N 3.37Å; P169-T260 CarbonylContact C-O 3.5Å; P169-T260 VanDerWaalsContact CA-O 3.3Å; P169-T260 WeakPolarHBondContact CA-O 3.42Å
170	N	91.1	Very high	87.8	Confident	8 Å²	8	48 Å²	48	4%	0.043	27%	0.266	C	S	.	.	S	Bend	trans	-74.8	70.5	171.8	177.8	43.7	0	0	0	110.6	S259 T260 L262 T353 G354	N170-S259 WeakPolarHBondContact CB-O 3.33Å; N170-S259 PolarHBondContact ND2-O 2.95Å; N170-T260 PolarHBondContact N-O 2.99Å; N170-L262 HydrophobicContact CB-CB 4.18Å; N170-L262 WeakPolarHBondContact CB-O 3.38Å; N170-T353 HydrophobicContact CB-CG2 4.2Å; N170-T353 WeakPolarHBondContact OD1-CA 3.43Å; N170-T353 VanDerWaalsContact OD1-CB 3.32Å; N170-T353 WeakPolarHBondContact OD1-CB 3.45Å; N170-G354 PolarHBondContact OD1-N 3.22Å
171	E	86.5	Confident	87.8	Confident	59 Å²	59	53 Å²	53	28%	0.276	29%	0.289	S	S	.	.			trans	-136.4	142.5	175.5	60.9	174.4	-151.4	0	0	111.3	P169 N173	P169-E171 HydrophobicContact CB-CG 4.03Å; P169-E171 HydrophobicContact CG-CG 3.88Å; P169-E171 PolarHBondContact O-N 3.37Å; E171-N173 VanDerWaalsContact C-N 3.3Å; E171-N173 HydrophobicContact CG-CB 3.9Å; E171-N173 PolarHBondContact O-N 3.02Å; E171-N173 VanDerWaalsContact OE1-CB 3.24Å; E171-N173 WeakPolarHBondContact OE1-CB 3.49Å; E171-N173 PolarHBondContact OE1-ND2 3.5Å
172	I	83.8	Confident	87.6	Confident	23 Å²	23	49.2 Å²	49.2	12%	0.118	27%	0.269	C	S	.	.			trans	-93.2	70.4	170.8	-55.8	176.8	0	0	0	107.4	I240 F355 K359 V363	I172-I240 HydrophobicContact CB-CG2 3.93Å; I172-I240 HydrophobicContact CG2-CG2 3.68Å; I172-F355 HydrophobicContact CB-CE1 4.44Å; I172-F355 HydrophobicContact CG2-CD1 4Å; I172-F355 HydrophobicContact CG2-CE1 3.42Å; I172-F355 VanDerWaalsContact CG2-CE1 3.42Å; I172-F355 HydrophobicContact CG2-CZ 3.79Å; I172-K359 HydrophobicContact CD1-CD 4.44Å; I172-K359 HydrophobicContact CD1-CG 4.09Å; I172-V363 HydrophobicContact CG2-CB 4.36Å; I172-V363 HydrophobicContact CG2-CG1 3.95Å
173	N	80.4	Confident	87.6	Confident	51 Å²	51	50.9 Å²	50.9	27%	0.273	28%	0.279	S	S	.	.			trans	-88.1	121	-174.2	-169.7	-3.3	0	0	0	112.3	E171	E171-N173 VanDerWaalsContact C-N 3.3Å; E171-N173 HydrophobicContact CG-CB 3.9Å; E171-N173 PolarHBondContact O-N 3.02Å; E171-N173 VanDerWaalsContact OE1-CB 3.24Å; E171-N173 WeakPolarHBondContact OE1-CB 3.49Å; E171-N173 PolarHBondContact OE1-ND2 3.5Å
174	I	75.7	Confident	87.5	Confident	21 Å²	21	55.2 Å²	55.2	11%	0.108	30%	0.301	C	S	.	.			trans	-97.9	103.8	173.5	-57.7	-179.5	0	0	0	108.4	L176 L236 H237 I240 M367	I174-L176 PolarHBondContact O-N 3.5Å; I174-L236 HydrophobicContact CD1-CD2 3.64Å; I174-L236 HydrophobicContact CD1-CG 3.72Å; I174-H237 PolarHBondContact O-ND1 3.33Å; I174-I240 HydrophobicContact CD1-CD1 3.66Å; I174-M367 HydrophobicContact CD1-SD 3.81Å; I174-M367 HydrophobicContact CG1-SD 3.93Å
175	E	78.6	Confident	87.3	Confident	143 Å²	143	56 Å²	56	67%	0.668	30%	0.304	S	S	*	.			trans	-57.2	117.7	174.9	-72.5	161	-117.7	0	0	111.4	K122 K177	K122-E175 IonicContact NZ-OE1 3.53Å; K122-E175 PolarHBondContact NZ-OE1 3.34Å; E175-K177 PolarHBondContact O-N 3.18Å
176	L	81.4	Confident	87.1	Confident	58 Å²	58	56.8 Å²	56.8	30%	0.304	30%	0.302	S	S	.	.			trans	-77.4	112.3	177	-78.2	-178.6	0	0	0	109.9	I174 Q233 L234 H237	I174-L176 PolarHBondContact O-N 3.5Å; L176-Q233 HydrophobicContact CD2-CB 3.94Å; L176-L234 HydrophobicContact CD1-CD2 3.87Å; L176-L234 HydrophobicContact CD2-CD2 4.29Å; L176-H237 HydrophobicContact CD2-CB 3.98Å; L176-H237 HydrophobicContact CG-CB 4.42Å
177	K	85.8	Confident	87	Confident	109 Å²	109	58 Å²	58	47%	0.474	31%	0.313	S	S	.	.			trans	-64.6	139.7	173.6	-66.2	-175.6	-179.1	-179.4	0	110.3	E175 L182 R230	E175-K177 PolarHBondContact O-N 3.18Å; K177-L182 HydrophobicContact CB-CD1 4.49Å; K177-L182 HydrophobicContact CB-CD2 3.8Å; K177-L182 HydrophobicContact CB-CG 3.89Å; K177-L182 HydrophobicContact CD-CD2 3.8Å; K177-L182 HydrophobicContact CG-CD2 4.43Å; K177-R230 PolarHBondContact O-NH1 3.12Å
178	S	90.3	Very high	86.8	Confident	45 Å²	45	59 Å²	59	32%	0.315	32%	0.32	S	S	.	.			trans	-67.8	150.9	177.3	75.4	0	0	0	0	110.9	L180 Q181 L182	S178-L180 PolarHBondContact O-N 2.91Å; S178-Q181 PolarHBondContact O-N 2.78Å; S178-Q181 VanDerWaalsContact O-N 3.13Å; S178-Q181 WeakPolarHBondContact OG-CB 3.39Å; S178-Q181 VanDerWaalsContact OG-CG 3.25Å; S178-Q181 WeakPolarHBondContact OG-CG 3.34Å; S178-Q181 PolarHBondContact OG-N 3.31Å; S178-L182 WeakPolarHBondContact O-CG 3.3Å; S178-L182 PolarHBondContact O-N 3.33Å
179	P	89.1	Confident	86.5	Confident	75 Å²	75	61.5 Å²	61.5	49%	0.487	33%	0.329	S	S	.	.	H	α-helix	trans	-54.8	-37	177.6	-26.7	35	0	0	0	113.1	L182 L183	P179-L182 PolarHBondContact O-N 2.67Å; P179-L183 WeakPolarHBondContact O-CB 3.3Å; P179-L183 PolarHBondContact O-N 3.14Å
180	L	90.4	Very high	86	Confident	114 Å²	114	61 Å²	61	60%	0.597	33%	0.325	S	S	*	.	H	α-helix	trans	-67.7	-43.2	177.7	-177.1	64.9	0	0	0	112.4	S178 L182 L183 I184	S178-L180 PolarHBondContact O-N 2.91Å; L180-L182 VanDerWaalsContact C-N 3.29Å; L180-L182 PolarHBondContact O-N 3.01Å; L180-L183 PolarHBondContact O-N 2.78Å; L180-I184 HydrophobicContact CD1-CD1 4.31Å; L180-I184 HydrophobicContact CG-CD1 4.09Å; L180-I184 WeakPolarHBondContact O-CG1 3.37Å; L180-I184 PolarHBondContact O-N 3.41Å
181	Q	90.6	Very high	85.5	Confident	117 Å²	117	62.8 Å²	62.8	55%	0.547	33%	0.333	S	S	.	.	H	α-helix	trans	-62.9	-39.3	175.4	-74.5	172.5	-0.7	0	0	111.3	S178 S185	S178-Q181 PolarHBondContact O-N 2.78Å; S178-Q181 VanDerWaalsContact O-N 3.13Å; S178-Q181 WeakPolarHBondContact OG-CB 3.39Å; S178-Q181 VanDerWaalsContact OG-CG 3.25Å; S178-Q181 WeakPolarHBondContact OG-CG 3.34Å; S178-Q181 PolarHBondContact OG-N 3.31Å; Q181-S185 WeakPolarHBondContact O-CB 3.16Å; Q181-S185 PolarHBondContact O-N 3.24Å; Q181-S185 PolarHBondContact O-OG 2.94Å
182	L	88.3	Confident	85.4	Confident	3 Å²	3	61.1 Å²	61.1	2%	0.016	32%	0.324	C	S	.	.	H	α-helix	trans	-61.8	-49.8	173.9	-70.1	176	0	0	0	110.7	K177 S178 P179 L180 I184 S185 Q186 V226 I229 R230	K177-L182 HydrophobicContact CB-CD1 4.49Å; K177-L182 HydrophobicContact CB-CD2 3.8Å; K177-L182 HydrophobicContact CB-CG 3.89Å; K177-L182 HydrophobicContact CD-CD2 3.8Å; K177-L182 HydrophobicContact CG-CD2 4.43Å; S178-L182 WeakPolarHBondContact O-CG 3.3Å; S178-L182 PolarHBondContact O-N 3.33Å; P179-L182 PolarHBondContact O-N 2.67Å; L180-L182 VanDerWaalsContact C-N 3.29Å; L180-L182 PolarHBondContact O-N 3.01Å; L182-I184 PolarHBondContact O-N 3.4Å; L182-S185 WeakPolarHBondContact CA-OG 3.28Å; L182-S185 PolarHBondContact O-N 2.99Å; L182-S185 VanDerWaalsContact O-N 3.16Å; L182-S185 PolarHBondContact O-OG 3.4Å; L182-Q186 WeakPolarHBondContact O-CG 3.43Å; L182-Q186 PolarHBondContact O-N 2.8Å; L182-V226 HydrophobicContact CB-CG1 4.04Å; L182-I229 HydrophobicContact CD1-CG2 4.18Å; L182-I229 HydrophobicContact CD2-CG2 3.9Å; L182-R230 HydrophobicContact CD1-CB 4.24Å
183	L	91.5	Very high	85.5	Confident	55 Å²	55	62.7 Å²	62.7	29%	0.288	33%	0.331	S	S	.	.	H	α-helix	trans	-55.6	-50.4	178.5	-177.9	67.9	0	0	0	112.1	P179 L180 S185 Q186 A187 L222 V226	P179-L183 WeakPolarHBondContact O-CB 3.3Å; P179-L183 PolarHBondContact O-N 3.14Å; L180-L183 PolarHBondContact O-N 2.78Å; L183-S185 VanDerWaalsContact C-N 3.32Å; L183-S185 PolarHBondContact O-N 3.22Å; L183-Q186 PolarHBondContact O-N 3.41Å; L183-A187 WeakPolarHBondContact O-CB 3.45Å; L183-A187 PolarHBondContact O-N 2.82Å; L183-L222 HydrophobicContact CD1-CB 4.44Å; L183-V226 HydrophobicContact CB-CG2 4.24Å; L183-V226 HydrophobicContact CD1-CG2 4.08Å
184	I	90.1	Very high	85.8	Confident	90 Å²	90	62.6 Å²	62.6	46%	0.462	33%	0.328	S	S	.	.	H	α-helix	trans	-60.6	-44.3	178.3	-66.9	168.1	0	0	0	110.5	L180 L182 Q186 A187 I188	L180-I184 HydrophobicContact CD1-CD1 4.31Å; L180-I184 HydrophobicContact CG-CD1 4.09Å; L180-I184 WeakPolarHBondContact O-CG1 3.37Å; L180-I184 PolarHBondContact O-N 3.41Å; L182-I184 PolarHBondContact O-N 3.4Å; I184-Q186 VanDerWaalsContact C-N 3.3Å; I184-Q186 PolarHBondContact O-N 3.24Å; I184-A187 PolarHBondContact O-N 3.44Å; I184-I188 HydrophobicContact CG2-CD1 3.65Å; I184-I188 HydrophobicContact CG2-CG1 4.49Å; I184-I188 WeakPolarHBondContact O-CB 3.35Å; I184-I188 VanDerWaalsContact O-CG1 3.31Å; I184-I188 WeakPolarHBondContact O-CG1 3.39Å; I184-I188 PolarHBondContact O-N 2.84Å
185	S	86.5	Confident	86.3	Confident	51 Å²	51	62.4 Å²	62.4	36%	0.357	33%	0.327	S	S	.	.	H	α-helix	trans	-64.7	-33	179.7	73.2	0	0	0	0	113.4	Q181 L182 L183	Q181-S185 WeakPolarHBondContact O-CB 3.16Å; Q181-S185 PolarHBondContact O-N 3.24Å; Q181-S185 PolarHBondContact O-OG 2.94Å; L182-S185 WeakPolarHBondContact CA-OG 3.28Å; L182-S185 PolarHBondContact O-N 2.99Å; L182-S185 VanDerWaalsContact O-N 3.16Å; L182-S185 PolarHBondContact O-OG 3.4Å; L183-S185 VanDerWaalsContact C-N 3.32Å; L183-S185 PolarHBondContact O-N 3.22Å
186	Q	86.6	Confident	86.8	Confident	49 Å²	49	60.4 Å²	60.4	23%	0.229	32%	0.321	C	S	.	.	H	α-helix	trans	-78	-41.6	175.9	-65.8	-48.7	-47.2	0	0	111.6	L182 L183 I184 I188 N189 Y192 L222 V226 I229	L182-Q186 WeakPolarHBondContact O-CG 3.43Å; L182-Q186 PolarHBondContact O-N 2.8Å; L183-Q186 PolarHBondContact O-N 3.41Å; I184-Q186 VanDerWaalsContact C-N 3.3Å; I184-Q186 PolarHBondContact O-N 3.24Å; Q186-I188 VanDerWaalsContact C-N 3.25Å; Q186-I188 PolarHBondContact O-N 3.4Å; Q186-N189 WeakPolarHBondContact O-CB 3.25Å; Q186-N189 PolarHBondContact O-N 3.42Å; Q186-Y192 WeakPolarHBondContact O-CD2 3.45Å; Q186-L222 HydrophobicContact CB-CD2 3.99Å; Q186-V226 HydrophobicContact CB-CG2 4.45Å; Q186-V226 HydrophobicContact CG-CG2 4.13Å; Q186-I229 HydrophobicContact CG-CD1 4.09Å
187	A	88	Confident	87.2	Confident	27 Å²	27	61.7 Å²	61.7	22%	0.223	32%	0.324	C	S	.	.	H	α-helix	trans	-61.2	-34.4	178.2	0	0	0	0	0	112.3	L183 I184 N189 Y192 M193	L183-A187 WeakPolarHBondContact O-CB 3.45Å; L183-A187 PolarHBondContact O-N 2.82Å; I184-A187 PolarHBondContact O-N 3.44Å; A187-N189 PolarHBondContact O-N 3.46Å; A187-N189 VanDerWaalsContact O-N 3.13Å; A187-Y192 WeakPolarHBondContact O-CB 3.24Å; A187-M193 WeakPolarHBondContact O-CE 3.32Å
188	I	87.9	Confident	87.3	Confident	46 Å²	46	56.6 Å²	56.6	24%	0.236	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.3	2.5	176.9	-74.5	171.4	0	0	0	113.2	L52 W56 I184 Q186	L52-I188 HydrophobicContact CD1-CB 4.36Å; L52-I188 HydrophobicContact CD1-CG1 4.28Å; L52-I188 HydrophobicContact CD1-CG2 3.64Å; W56-I188 VanDerWaalsContact CZ2-O 3.23Å; W56-I188 WeakPolarHBondContact CZ2-O 3.41Å; W56-I188 PolarHBondContact NE1-O 3.2Å; I184-I188 HydrophobicContact CG2-CD1 3.65Å; I184-I188 HydrophobicContact CG2-CG1 4.49Å; I184-I188 WeakPolarHBondContact O-CB 3.35Å; I184-I188 VanDerWaalsContact O-CG1 3.31Å; I184-I188 WeakPolarHBondContact O-CG1 3.39Å; I184-I188 PolarHBondContact O-N 2.84Å; Q186-I188 VanDerWaalsContact C-N 3.25Å; Q186-I188 PolarHBondContact O-N 3.4Å
189	N	82.2	Confident	87.4	Confident	70 Å²	70	54.9 Å²	54.9	37%	0.374	29%	0.29	S	S	.	.	S	Bend	trans	-62.2	136.8	173.2	-171.6	-51	0	0	0	110.9	Q186 A187 F191 Y192 M193	Q186-N189 WeakPolarHBondContact O-CB 3.25Å; Q186-N189 PolarHBondContact O-N 3.42Å; A187-N189 PolarHBondContact O-N 3.46Å; A187-N189 VanDerWaalsContact O-N 3.13Å; N189-F191 PolarHBondContact O-N 3.12Å; N189-F191 PolarHBondContact OD1-N 3.43Å; N189-Y192 HydrophobicContact CB-CD2 3.95Å; N189-Y192 PolarHBondContact O-N 2.92Å; N189-Y192 VanDerWaalsContact O-N 3.13Å; N189-M193 WeakPolarHBondContact O-CG 3.13Å; N189-M193 PolarHBondContact O-N 3.17Å; N189-M193 VanDerWaalsContact O-N 3.12Å
190	P	80.7	Confident	87.5	Confident	66 Å²	66	55.4 Å²	55.4	43%	0.429	29%	0.291	S	S	.	.	H	α-helix	trans	-48.2	-32.7	177.8	-29.6	32.8	0	0	0	115.2	W56 F194	W56-P190 HydrophobicContact CD2-CG 4.11Å; W56-P190 HydrophobicContact CE3-CG 4.32Å; W56-P190 HydrophobicContact CH2-CB 3.96Å; W56-P190 HydrophobicContact CH2-CG 3.89Å; W56-P190 HydrophobicContact CZ2-CB 4.07Å; W56-P190 HydrophobicContact CZ2-CG 3.64Å; W56-P190 HydrophobicContact CZ3-CB 4.45Å; W56-P190 HydrophobicContact CZ3-CG 4.23Å; P190-F194 WeakPolarHBondContact O-CB 3.38Å; P190-F194 PolarHBondContact O-N 3.29Å
191	F	80.5	Confident	87.5	Confident	47 Å²	47	50.7 Å²	50.7	21%	0.206	27%	0.267	C	S	.	.	H	α-helix	trans	-69.5	-50.1	179.2	172.1	-106.6	0	0	0	113.3	N189 M193 F194 Q195 P426 P429	N189-F191 PolarHBondContact O-N 3.12Å; N189-F191 PolarHBondContact OD1-N 3.43Å; F191-M193 PolarHBondContact O-N 3.08Å; F191-F194 WeakPolarHBondContact O-CB 3.5Å; F191-F194 PolarHBondContact O-N 3.03Å; F191-F194 VanDerWaalsContact O-N 3.13Å; F191-Q195 VanDerWaalsContact CE1-CD 3.43Å; F191-Q195 HydrophobicContact CE1-CG 4.27Å; F191-Q195 VanDerWaalsContact CE1-NE2 3.31Å; F191-Q195 HydrophobicContact CE2-CG 4.16Å; F191-Q195 VanDerWaalsContact CZ-CD 3.45Å; F191-Q195 HydrophobicContact CZ-CG 4.04Å; F191-Q195 PolarHBondContact O-N 2.92Å; F191-P426 VanDerWaalsContact CE2-O 3.26Å; F191-P426 WeakPolarHBondContact CE2-O 3.29Å; F191-P426 WeakPolarHBondContact CZ-O 3.38Å; F191-P429 HydrophobicContact CD1-CG 4.34Å; F191-P429 HydrophobicContact CD2-CG 3.5Å; F191-P429 HydrophobicContact CE1-CB 4.46Å; F191-P429 HydrophobicContact CE1-CG 4.19Å; F191-P429 HydrophobicContact CE2-CB 4.36Å; F191-P429 HydrophobicContact CE2-CG 3.33Å; F191-P429 HydrophobicContact CG-CG 3.98Å; F191-P429 HydrophobicContact CZ-CB 4.22Å; F191-P429 HydrophobicContact CZ-CG 3.66Å
192	Y	85.2	Confident	87.5	Confident	24 Å²	24	45.8 Å²	45.8	9%	0.094	24%	0.243	C	C	.	.	H	α-helix	trans	-64.9	-32.8	177.1	-70.7	-65.3	0	0	0	111.6	Q186 A187 N189 Q195 L196 S221 L222 D225	Q186-Y192 WeakPolarHBondContact O-CD2 3.45Å; A187-Y192 WeakPolarHBondContact O-CB 3.24Å; N189-Y192 HydrophobicContact CB-CD2 3.95Å; N189-Y192 PolarHBondContact O-N 2.92Å; N189-Y192 VanDerWaalsContact O-N 3.13Å; Y192-Q195 PolarHBondContact O-N 3.37Å; Y192-L196 WeakPolarHBondContact O-CB 3.46Å; Y192-L196 PolarHBondContact O-N 3.12Å; Y192-S221 PolarHBondContact OH-OG 3.06Å; Y192-S221 VanDerWaalsContact OH-OG 3.06Å; Y192-L222 HydrophobicContact CD1-CD1 4.1Å; Y192-L222 HydrophobicContact CD1-CD2 4.2Å; Y192-L222 HydrophobicContact CD1-CG 4.05Å; Y192-L222 HydrophobicContact CD2-CD2 3.64Å; Y192-L222 HydrophobicContact CD2-CG 4.38Å; Y192-L222 HydrophobicContact CE1-CD1 4.16Å; Y192-L222 HydrophobicContact CE1-CD2 3.92Å; Y192-L222 HydrophobicContact CE1-CG 3.64Å; Y192-L222 HydrophobicContact CE2-CD2 3.32Å; Y192-L222 HydrophobicContact CE2-CG 4.02Å; Y192-L222 HydrophobicContact CG-CD1 4.44Å; Y192-L222 HydrophobicContact CG-CD2 4.1Å; Y192-L222 HydrophobicContact CG-CG 4.42Å; Y192-L222 VanDerWaalsContact CZ-CD2 3.47Å; Y192-D225 PolarHBondContact OH-OD2 3.45Å
193	M	86.4	Confident	87.6	Confident	56 Å²	56	49.5 Å²	49.5	28%	0.276	26%	0.259	S	S	.	.	H	α-helix	trans	-65.4	-39.7	173.2	-67.3	-71.1	110.3	0	0	112	L52 W56 A187 N189 F191 L196 F197	L52-M193 HydrophobicContact CD2-CB 4.41Å; L52-M193 HydrophobicContact CD2-CG 3.88Å; L52-M193 HydrophobicContact CD2-SD 3.96Å; W56-M193 HydrophobicContact CZ2-CG 4.22Å; A187-M193 WeakPolarHBondContact O-CE 3.32Å; N189-M193 WeakPolarHBondContact O-CG 3.13Å; N189-M193 PolarHBondContact O-N 3.17Å; N189-M193 VanDerWaalsContact O-N 3.12Å; F191-M193 PolarHBondContact O-N 3.08Å; M193-L196 HydrophobicContact CE-CD2 4.41Å; M193-F197 WeakPolarHBondContact O-CB 3.34Å; M193-F197 PolarHBondContact O-N 3.41Å
194	F	85.1	Confident	87.4	Confident	48 Å²	48	50.7 Å²	50.7	21%	0.211	27%	0.272	C	S	.	.	H	α-helix	trans	-66.4	-41.5	172.6	-177.7	-100.8	0	0	0	112.1	P190 F191 L196 F197 S198 V424	P190-F194 WeakPolarHBondContact O-CB 3.38Å; P190-F194 PolarHBondContact O-N 3.29Å; F191-F194 WeakPolarHBondContact O-CB 3.5Å; F191-F194 PolarHBondContact O-N 3.03Å; F191-F194 VanDerWaalsContact O-N 3.13Å; F194-L196 PolarHBondContact O-N 3.3Å; F194-F197 HydrophobicContact CD2-CD1 4.29Å; F194-F197 HydrophobicContact CE2-CD1 4.21Å; F194-F197 WeakPolarHBondContact O-CB 3.44Å; F194-F197 PolarHBondContact O-N 3.49Å; F194-S198 WeakPolarHBondContact CE1-OG 3.35Å; F194-S198 PolarHBondContact O-N 3.39Å; F194-S198 PolarHBondContact O-OG 3.34Å; F194-S198 VanDerWaalsContact O-OG 3.09Å; F194-V424 HydrophobicContact CD1-CG1 3.97Å; F194-V424 HydrophobicContact CE1-CB 3.63Å; F194-V424 HydrophobicContact CE1-CG1 3.42Å; F194-V424 VanDerWaalsContact CE1-CG1 3.42Å; F194-V424 HydrophobicContact CE2-CB 4.42Å; F194-V424 HydrophobicContact CE2-CG1 4.47Å; F194-V424 HydrophobicContact CZ-CB 3.51Å; F194-V424 HydrophobicContact CZ-CG1 3.72Å; F194-V424 HydrophobicContact CZ-CG2 4.18Å
195	Q	87.5	Confident	87.1	Confident	17 Å²	17	47.4 Å²	47.4	8%	0.079	26%	0.256	C	S	.	.	H	α-helix	trans	-61.7	-42.8	175.2	-72	-178.5	-38.4	0	0	112.2	F191 Y192 F197 S198 V199 S218 P426	F191-Q195 VanDerWaalsContact CE1-CD 3.43Å; F191-Q195 HydrophobicContact CE1-CG 4.27Å; F191-Q195 VanDerWaalsContact CE1-NE2 3.31Å; F191-Q195 HydrophobicContact CE2-CG 4.16Å; F191-Q195 VanDerWaalsContact CZ-CD 3.45Å; F191-Q195 HydrophobicContact CZ-CG 4.04Å; F191-Q195 PolarHBondContact O-N 2.92Å; Y192-Q195 PolarHBondContact O-N 3.37Å; Q195-F197 VanDerWaalsContact C-N 3.31Å; Q195-F197 PolarHBondContact O-N 3.41Å; Q195-S198 PolarHBondContact O-N 2.98Å; Q195-V199 WeakPolarHBondContact O-CB 3.5Å; Q195-V199 VanDerWaalsContact O-CG2 3.26Å; Q195-V199 WeakPolarHBondContact O-CG2 3.47Å; Q195-V199 PolarHBondContact O-N 3.43Å; Q195-S218 PolarHBondContact OE1-OG 2.91Å; Q195-S218 VanDerWaalsContact OE1-OG 3.1Å; Q195-P426 HydrophobicContact CG-CB 4.45Å
196	L	89.4	Confident	87	Confident	101 Å²	101	48.3 Å²	48.3	53%	0.529	26%	0.259	S	S	.	.	H	α-helix	trans	-60.4	-42.7	175.2	179.7	62.8	0	0	0	111.3	Y192 M193 F194 T200	Y192-L196 WeakPolarHBondContact O-CB 3.46Å; Y192-L196 PolarHBondContact O-N 3.12Å; M193-L196 HydrophobicContact CE-CD2 4.41Å; F194-L196 PolarHBondContact O-N 3.3Å; L196-T200 WeakPolarHBondContact O-CB 3.28Å; L196-T200 PolarHBondContact O-N 3.18Å; L196-T200 PolarHBondContact O-OG1 2.91Å
197	F	88.6	Confident	86.9	Confident	86 Å²	86	46.7 Å²	46.7	38%	0.377	25%	0.251	S	S	.	.	H	α-helix	trans	-59.8	-48.9	173.7	171.2	-102.8	0	0	0	111.9	M193 F194 Q195 T200 I201 T421	M193-F197 WeakPolarHBondContact O-CB 3.34Å; M193-F197 PolarHBondContact O-N 3.41Å; F194-F197 HydrophobicContact CD2-CD1 4.29Å; F194-F197 HydrophobicContact CE2-CD1 4.21Å; F194-F197 WeakPolarHBondContact O-CB 3.44Å; F194-F197 PolarHBondContact O-N 3.49Å; Q195-F197 VanDerWaalsContact C-N 3.31Å; Q195-F197 PolarHBondContact O-N 3.41Å; F197-T200 PolarHBondContact O-N 3.37Å; F197-I201 HydrophobicContact CD1-CD1 4Å; F197-I201 HydrophobicContact CD2-CD1 4.29Å; F197-I201 HydrophobicContact CE1-CD1 3.46Å; F197-I201 VanDerWaalsContact CE1-CD1 3.46Å; F197-I201 HydrophobicContact CE2-CD1 3.79Å; F197-I201 HydrophobicContact CG-CD1 4.4Å; F197-I201 HydrophobicContact CZ-CD1 3.35Å; F197-I201 PolarHBondContact O-N 3.09Å; F197-I201 VanDerWaalsContact O-N 3.16Å; F197-T421 HydrophobicContact CE1-CG2 4.38Å
198	S	89.3	Confident	87	Confident	1 Å²	1	51.3 Å²	51.3	1%	0.007	26%	0.264	C	S	.	.	H	α-helix	trans	-61.6	-46.2	178.2	-57	0	0	0	0	112.5	F194 Q195 T200 I201 W202	F194-S198 WeakPolarHBondContact CE1-OG 3.35Å; F194-S198 PolarHBondContact O-N 3.39Å; F194-S198 PolarHBondContact O-OG 3.34Å; F194-S198 VanDerWaalsContact O-OG 3.09Å; Q195-S198 PolarHBondContact O-N 2.98Å; S198-T200 VanDerWaalsContact C-N 3.28Å; S198-T200 PolarHBondContact O-N 2.85Å; S198-I201 PolarHBondContact O-N 3.04Å; S198-I201 VanDerWaalsContact O-N 3.14Å; S198-W202 VanDerWaalsContact O-CD2 3.31Å; S198-W202 VanDerWaalsContact O-CG 3.25Å; S198-W202 PolarHBondContact O-N 3.48Å
199	V	91.6	Very high	87	Confident	10 Å²	10	56.1 Å²	56.1	6%	0.061	28%	0.28	C	S	.	.	H	α-helix	trans	-60.2	-39	177.8	165.6	0	0	0	0	111.6	Q195 I201 W202 F203 A211 I214 V215	Q195-V199 WeakPolarHBondContact O-CB 3.5Å; Q195-V199 VanDerWaalsContact O-CG2 3.26Å; Q195-V199 WeakPolarHBondContact O-CG2 3.47Å; Q195-V199 PolarHBondContact O-N 3.43Å; V199-I201 VanDerWaalsContact C-N 3.34Å; V199-I201 PolarHBondContact O-N 3Å; V199-W202 HydrophobicContact CG2-CE3 4.16Å; V199-W202 HydrophobicContact CG2-CZ3 4.18Å; V199-W202 PolarHBondContact O-N 2.73Å; V199-F203 HydrophobicContact CG1-CD2 3.52Å; V199-F203 HydrophobicContact CG1-CE2 3.36Å; V199-F203 VanDerWaalsContact O-CD2 3.24Å; V199-F203 WeakPolarHBondContact O-CD2 3.22Å; V199-F203 PolarHBondContact O-N 2.92Å; V199-A211 HydrophobicContact CG1-CB 4.46Å; V199-I214 HydrophobicContact CG2-CB 4.45Å; V199-I214 HydrophobicContact CG2-CG2 4.07Å; V199-V215 HydrophobicContact CB-CG2 4.38Å; V199-V215 HydrophobicContact CG1-CG2 3.53Å; V199-V215 HydrophobicContact CG2-CG2 3.96Å
200	T	90.8	Very high	87.1	Confident	85 Å²	85	53.4 Å²	53.4	52%	0.521	26%	0.264	S	S	.	.	H	α-helix	trans	-63.5	-41.2	177.1	-55.8	0	0	0	0	111.4	L196 F197 S198 S204	L196-T200 WeakPolarHBondContact O-CB 3.28Å; L196-T200 PolarHBondContact O-N 3.18Å; L196-T200 PolarHBondContact O-OG1 2.91Å; F197-T200 PolarHBondContact O-N 3.37Å; S198-T200 VanDerWaalsContact C-N 3.28Å; S198-T200 PolarHBondContact O-N 2.85Å; T200-S204 PolarHBondContact O-N 3.04Å; T200-S204 VanDerWaalsContact O-N 3.17Å
201	I	90.6	Very high	87.6	Confident	16 Å²	16	50.3 Å²	50.3	8%	0.082	24%	0.244	C	C	.	.	H	α-helix	trans	-65.3	-46.3	175.6	-67.7	166.2	0	0	0	110.7	F197 S198 V199 F203 S204 D205 V414 L417 D418 T421	F197-I201 HydrophobicContact CD1-CD1 4Å; F197-I201 HydrophobicContact CD2-CD1 4.29Å; F197-I201 HydrophobicContact CE1-CD1 3.46Å; F197-I201 VanDerWaalsContact CE1-CD1 3.46Å; F197-I201 HydrophobicContact CE2-CD1 3.79Å; F197-I201 HydrophobicContact CG-CD1 4.4Å; F197-I201 HydrophobicContact CZ-CD1 3.35Å; F197-I201 PolarHBondContact O-N 3.09Å; F197-I201 VanDerWaalsContact O-N 3.16Å; S198-I201 PolarHBondContact O-N 3.04Å; S198-I201 VanDerWaalsContact O-N 3.14Å; V199-I201 VanDerWaalsContact C-N 3.34Å; V199-I201 PolarHBondContact O-N 3Å; I201-F203 PolarHBondContact O-N 3.13Å; I201-S204 CarbonylContact O-C 3.57Å; I201-S204 WeakPolarHBondContact O-CA 3.47Å; I201-S204 VanDerWaalsContact O-CB 3.3Å; I201-S204 WeakPolarHBondContact O-CB 3.42Å; I201-S204 PolarHBondContact O-N 3.09Å; I201-D205 PolarHBondContact O-N 3.04Å; I201-V414 HydrophobicContact CG2-CG1 4.39Å; I201-L417 HydrophobicContact CD1-CB 3.79Å; I201-D418 HydrophobicContact CG2-CB 4.02Å; I201-T421 HydrophobicContact CD1-CG2 3.79Å
202	W	90.2	Very high	88.1	Confident	13 Å²	13	50.7 Å²	50.7	5%	0.049	25%	0.253	C	S	.	.	H	α-helix	trans	-65.3	-37.6	-178.6	-62	-27.8	0	0	0	113.3	S198 V199 S204 D205 T206 Y207 Y210 A211 I214 D418 T421 P426	S198-W202 VanDerWaalsContact O-CD2 3.31Å; S198-W202 VanDerWaalsContact O-CG 3.25Å; S198-W202 PolarHBondContact O-N 3.48Å; V199-W202 HydrophobicContact CG2-CE3 4.16Å; V199-W202 HydrophobicContact CG2-CZ3 4.18Å; V199-W202 PolarHBondContact O-N 2.73Å; W202-S204 VanDerWaalsContact C-N 3.28Å; W202-S204 PolarHBondContact O-N 3.38Å; W202-D205 CarbonylContact O-C 3.58Å; W202-D205 PolarHBondContact O-N 2.97Å; W202-D205 VanDerWaalsContact O-N 3.16Å; W202-T206 PolarHBondContact O-N 3.32Å; W202-Y207 HydrophobicContact CG-CD1 4.45Å; W202-Y207 PolarHBondContact O-N 3.32Å; W202-Y210 HydrophobicContact CD2-CD1 4.36Å; W202-Y210 AromaticContact CE3-CD1 3.97Å; W202-Y210 HydrophobicContact CE3-CD1 3.97Å; W202-Y210 HydrophobicContact CE3-CE1 4.22Å; W202-Y210 HydrophobicContact CH2-CD1 4.14Å; W202-Y210 AromaticContact CH2-CE1 3.54Å; W202-Y210 HydrophobicContact CH2-CE1 3.54Å; W202-Y210 HydrophobicContact CZ2-CD1 4.49Å; W202-Y210 AromaticContact CZ2-CE1 3.99Å; W202-Y210 HydrophobicContact CZ2-CE1 3.99Å; W202-Y210 AromaticContact CZ3-CD1 3.87Å; W202-Y210 HydrophobicContact CZ3-CD1 3.87Å; W202-Y210 AromaticContact CZ3-CE1 3.67Å; W202-Y210 HydrophobicContact CZ3-CE1 3.67Å; W202-A211 HydrophobicContact CB-CB 3.99Å; W202-A211 HydrophobicContact CE3-CB 4.32Å; W202-I214 HydrophobicContact CZ3-CB 4.32Å; W202-I214 HydrophobicContact CZ3-CG1 4.04Å; W202-I214 HydrophobicContact CZ3-CG2 4.33Å; W202-D418 PolarHBondContact NE1-OD1 3.08Å; W202-T421 PolarHBondContact NE1-OG1 2.98Å; W202-P426 HydrophobicContact CH2-CG 4.18Å
203	F	90.9	Very high	88.3	Confident	82 Å²	82	52.9 Å²	52.9	36%	0.36	27%	0.265	S	S	.	.	H	α-helix	trans	-64.6	-34.3	171.1	-80.6	-54.9	0	0	0	112.3	V199 I201 D205 T206 Y208 A211	V199-F203 HydrophobicContact CG1-CD2 3.52Å; V199-F203 HydrophobicContact CG1-CE2 3.36Å; V199-F203 VanDerWaalsContact O-CD2 3.24Å; V199-F203 WeakPolarHBondContact O-CD2 3.22Å; V199-F203 PolarHBondContact O-N 2.92Å; I201-F203 PolarHBondContact O-N 3.13Å; F203-D205 VanDerWaalsContact C-N 3.28Å; F203-D205 PolarHBondContact O-N 3.32Å; F203-T206 PolarHBondContact O-N 2.99Å; F203-Y208 AromaticContact CD1-CD1 3.62Å; F203-Y208 HydrophobicContact CD1-CD1 3.62Å; F203-Y208 HydrophobicContact CD1-CE1 4.16Å; F203-Y208 AromaticContact CE1-CD1 3.94Å; F203-Y208 HydrophobicContact CE1-CD1 3.94Å; F203-A211 HydrophobicContact CD1-CB 4.23Å; F203-A211 HydrophobicContact CD2-CB 4.24Å; F203-A211 HydrophobicContact CE1-CB 3.98Å; F203-A211 HydrophobicContact CE2-CB 4Å; F203-A211 HydrophobicContact CG-CB 4.34Å; F203-A211 HydrophobicContact CZ-CB 3.86Å
204	S	87.7	Confident	88.3	Confident	80 Å²	80	51 Å²	51	56%	0.559	26%	0.256	S	S	*	.	H	α-helix	trans	-69.6	-25.4	173.3	-174.1	0	0	0	0	113.1	T200 I201 W202	T200-S204 PolarHBondContact O-N 3.04Å; T200-S204 VanDerWaalsContact O-N 3.17Å; I201-S204 CarbonylContact O-C 3.57Å; I201-S204 WeakPolarHBondContact O-CA 3.47Å; I201-S204 VanDerWaalsContact O-CB 3.3Å; I201-S204 WeakPolarHBondContact O-CB 3.42Å; I201-S204 PolarHBondContact O-N 3.09Å; W202-S204 VanDerWaalsContact C-N 3.28Å; W202-S204 PolarHBondContact O-N 3.38Å
205	D	83.7	Confident	88.6	Confident	20 Å²	20	51.4 Å²	51.4	11%	0.107	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.9	16.9	178.3	-159.5	52.9	0	0	0	112.7	I201 W202 F203 Y207 V414 R415	I201-D205 PolarHBondContact O-N 3.04Å; W202-D205 CarbonylContact O-C 3.58Å; W202-D205 PolarHBondContact O-N 2.97Å; W202-D205 VanDerWaalsContact O-N 3.16Å; F203-D205 VanDerWaalsContact C-N 3.28Å; F203-D205 PolarHBondContact O-N 3.32Å; D205-Y207 PolarHBondContact O-N 3.02Å; D205-Y207 VanDerWaalsContact O-N 3.13Å; D205-V414 HydrophobicContact CB-CG1 3.89Å; D205-R415 VanDerWaalsContact CG-CZ 3.45Å; D205-R415 IonicContact OD1-CZ 3.03Å; D205-R415 IonicContact OD1-NE 3.36Å; D205-R415 PolarHBondContact OD1-NE 2.75Å; D205-R415 IonicContact OD1-NH1 3.21Å; D205-R415 PolarHBondContact OD1-NH1 3.4Å; D205-R415 IonicContact OD1-NH2 3.13Å; D205-R415 PolarHBondContact OD1-NH2 3.11Å; D205-R415 IonicContact OD2-CZ 2.97Å; D205-R415 IonicContact OD2-NH1 3.31Å; D205-R415 PolarHBondContact OD2-NH1 3.24Å; D205-R415 IonicContact OD2-NH2 2.98Å; D205-R415 PolarHBondContact OD2-NH2 3.28Å
206	T	83.8	Confident	88.7	Confident	70 Å²	70	55 Å²	55	43%	0.429	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.7	15	-179.4	66.4	0	0	0	0	116.1	W202 F203 Y208	W202-T206 PolarHBondContact O-N 3.32Å; F203-T206 PolarHBondContact O-N 2.99Å; T206-Y208 HydrophobicContact CG2-CE2 4.26Å; T206-Y208 WeakPolarHBondContact O-CD2 3.48Å; T206-Y208 WeakPolarHBondContact O-CE2 3.46Å; T206-Y208 PolarHBondContact O-N 3.27Å
207	Y	85.7	Confident	88.6	Confident	16 Å²	16	55.2 Å²	55.2	6%	0.063	29%	0.287	C	S	.	.			trans	-84.4	58.2	179.3	-168.1	-161.8	0	0	0	112.4	W202 D205 Y209 Y210 A211 D929 F932 L933	W202-Y207 HydrophobicContact CG-CD1 4.45Å; W202-Y207 PolarHBondContact O-N 3.32Å; D205-Y207 PolarHBondContact O-N 3.02Å; D205-Y207 VanDerWaalsContact O-N 3.13Å; Y207-Y209 PolarHBondContact O-N 3.43Å; Y207-Y210 HydrophobicContact CD1-CD1 4.29Å; Y207-Y210 VanDerWaalsContact CE1-CB 3.48Å; Y207-Y210 AromaticContact CE1-CD1 3.69Å; Y207-Y210 HydrophobicContact CE1-CD1 3.69Å; Y207-Y210 AromaticContact CE1-CG 3.78Å; Y207-Y210 HydrophobicContact CE1-CG 3.78Å; Y207-Y210 AromaticContact CZ-CG 3.79Å; Y207-Y210 WeakPolarHBondContact OH-CB 3.4Å; Y207-A211 WeakPolarHBondContact O-CB 3.2Å; Y207-A211 PolarHBondContact O-N 3.47Å; Y207-D929 HydrophobicContact CD2-CB 3.73Å; Y207-D929 VanDerWaalsContact CD2-CG 3.4Å; Y207-D929 WeakPolarHBondContact CD2-OD2 3.45Å; Y207-D929 HydrophobicContact CE2-CB 3.5Å; Y207-D929 VanDerWaalsContact CE2-CB 3.5Å; Y207-D929 PolarHBondContact OH-O 2.93Å; Y207-F932 HydrophobicContact CE1-CB 4.23Å; Y207-F932 HydrophobicContact CE1-CD2 4.43Å; Y207-F932 WeakPolarHBondContact OH-CB 3.45Å; Y207-L933 PolarHBondContact OH-N 3.2Å
208	Y	88.9	Confident	88.5	Confident	124 Å²	124	51.9 Å²	51.9	49%	0.486	27%	0.274	S	S	.	.	H	α-helix	trans	-61.6	-38.6	-169	-57.5	-72	0	0	0	114.3	F203 T206 S212	F203-Y208 AromaticContact CD1-CD1 3.62Å; F203-Y208 HydrophobicContact CD1-CD1 3.62Å; F203-Y208 HydrophobicContact CD1-CE1 4.16Å; F203-Y208 AromaticContact CE1-CD1 3.94Å; F203-Y208 HydrophobicContact CE1-CD1 3.94Å; T206-Y208 HydrophobicContact CG2-CE2 4.26Å; T206-Y208 WeakPolarHBondContact O-CD2 3.48Å; T206-Y208 WeakPolarHBondContact O-CE2 3.46Å; T206-Y208 PolarHBondContact O-N 3.27Å; Y208-S212 VanDerWaalsContact O-CB 3.28Å; Y208-S212 WeakPolarHBondContact O-CB 3.46Å; Y208-S212 PolarHBondContact O-N 3.17Å; Y208-S212 PolarHBondContact O-OG 2.85Å
209	Y	88	Confident	88.5	Confident	147 Å²	147	55 Å²	55	58%	0.576	29%	0.293	S	S	*	.	H	α-helix	trans	-65.9	-54.2	-172.3	-64.8	-75.1	0	0	0	112.3	Y207 S212 I213	Y207-Y209 PolarHBondContact O-N 3.43Å; Y209-S212 PolarHBondContact O-N 3.13Å; Y209-I213 WeakPolarHBondContact O-CG1 3.38Å; Y209-I213 PolarHBondContact O-N 3.33Å; Y209-I213 VanDerWaalsContact O-N 3.12Å
210	Y	85.2	Confident	88.4	Confident	13 Å²	13	58.5 Å²	58.5	5%	0.051	31%	0.314	C	S	.	.	H	α-helix	trans	-68.5	-41.7	-178.3	-176.5	-108.3	0	0	0	111.7	W202 Y207 S212 I213 I214 L933 D936	W202-Y210 HydrophobicContact CD2-CD1 4.36Å; W202-Y210 AromaticContact CE3-CD1 3.97Å; W202-Y210 HydrophobicContact CE3-CD1 3.97Å; W202-Y210 HydrophobicContact CE3-CE1 4.22Å; W202-Y210 HydrophobicContact CH2-CD1 4.14Å; W202-Y210 AromaticContact CH2-CE1 3.54Å; W202-Y210 HydrophobicContact CH2-CE1 3.54Å; W202-Y210 HydrophobicContact CZ2-CD1 4.49Å; W202-Y210 AromaticContact CZ2-CE1 3.99Å; W202-Y210 HydrophobicContact CZ2-CE1 3.99Å; W202-Y210 AromaticContact CZ3-CD1 3.87Å; W202-Y210 HydrophobicContact CZ3-CD1 3.87Å; W202-Y210 AromaticContact CZ3-CE1 3.67Å; W202-Y210 HydrophobicContact CZ3-CE1 3.67Å; Y207-Y210 HydrophobicContact CD1-CD1 4.29Å; Y207-Y210 VanDerWaalsContact CE1-CB 3.48Å; Y207-Y210 AromaticContact CE1-CD1 3.69Å; Y207-Y210 HydrophobicContact CE1-CD1 3.69Å; Y207-Y210 AromaticContact CE1-CG 3.78Å; Y207-Y210 HydrophobicContact CE1-CG 3.78Å; Y207-Y210 AromaticContact CZ-CG 3.79Å; Y207-Y210 WeakPolarHBondContact OH-CB 3.4Å; Y210-S212 VanDerWaalsContact C-N 3.28Å; Y210-S212 PolarHBondContact O-N 3.12Å; Y210-I213 PolarHBondContact O-N 3.31Å; Y210-I214 HydrophobicContact CD1-CG1 4.28Å; Y210-I214 HydrophobicContact CE1-CD1 4.46Å; Y210-I214 HydrophobicContact CE1-CG1 3.95Å; Y210-I214 HydrophobicContact CE2-CD1 4.29Å; Y210-I214 HydrophobicContact CE2-CG1 4.29Å; Y210-I214 WeakPolarHBondContact O-CG1 3.26Å; Y210-I214 PolarHBondContact O-N 3.37Å; Y210-L933 HydrophobicContact CD2-CD1 4.07Å; Y210-D936 HydrophobicContact CE2-CB 3.85Å; Y210-D936 PolarHBondContact OH-OD2 2.96Å; Y210-D936 VanDerWaalsContact OH-OD2 3.12Å
211	A	89.8	Confident	88	Confident	0 Å²	0	56.8 Å²	56.8	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-54.3	-45.5	173.6	0	0	0	0	0	111.6	V199 W202 F203 Y207 I213 I214 V215	V199-A211 HydrophobicContact CG1-CB 4.46Å; W202-A211 HydrophobicContact CB-CB 3.99Å; W202-A211 HydrophobicContact CE3-CB 4.32Å; F203-A211 HydrophobicContact CD1-CB 4.23Å; F203-A211 HydrophobicContact CD2-CB 4.24Å; F203-A211 HydrophobicContact CE1-CB 3.98Å; F203-A211 HydrophobicContact CE2-CB 4Å; F203-A211 HydrophobicContact CG-CB 4.34Å; F203-A211 HydrophobicContact CZ-CB 3.86Å; Y207-A211 WeakPolarHBondContact O-CB 3.2Å; Y207-A211 PolarHBondContact O-N 3.47Å; A211-I213 PolarHBondContact O-N 3.07Å; A211-I214 PolarHBondContact O-N 3.35Å; A211-V215 VanDerWaalsContact O-CG2 3.3Å; A211-V215 WeakPolarHBondContact O-CG2 3.43Å; A211-V215 PolarHBondContact O-N 3.26Å
212	S	91.5	Very high	87.9	Confident	55 Å²	55	57.2 Å²	57.2	39%	0.385	31%	0.308	S	S	.	.	H	α-helix	trans	-63.6	-42.2	178.3	-59.6	0	0	0	0	112.7	Y208 Y209 Y210 I214 V215 V216	Y208-S212 VanDerWaalsContact O-CB 3.28Å; Y208-S212 WeakPolarHBondContact O-CB 3.46Å; Y208-S212 PolarHBondContact O-N 3.17Å; Y208-S212 PolarHBondContact O-OG 2.85Å; Y209-S212 PolarHBondContact O-N 3.13Å; Y210-S212 VanDerWaalsContact C-N 3.28Å; Y210-S212 PolarHBondContact O-N 3.12Å; S212-I214 PolarHBondContact O-N 2.9Å; S212-V215 PolarHBondContact O-N 2.81Å; S212-V216 WeakPolarHBondContact O-CG2 3.35Å; S212-V216 PolarHBondContact O-N 3.27Å
213	I	88.8	Confident	87.9	Confident	71 Å²	71	62.9 Å²	62.9	36%	0.364	33%	0.333	S	S	.	.	H	α-helix	trans	-60.9	-46.6	177.1	-68.9	166.9	0	0	0	110.7	Y209 Y210 A211 V215 V216 L217 L933	Y209-I213 WeakPolarHBondContact O-CG1 3.38Å; Y209-I213 PolarHBondContact O-N 3.33Å; Y209-I213 VanDerWaalsContact O-N 3.12Å; Y210-I213 PolarHBondContact O-N 3.31Å; A211-I213 PolarHBondContact O-N 3.07Å; I213-V215 VanDerWaalsContact C-N 3.35Å; I213-V215 PolarHBondContact O-N 3.27Å; I213-V216 PolarHBondContact O-N 3Å; I213-L217 HydrophobicContact CG2-CD1 3.94Å; I213-L217 HydrophobicContact CG2-CG 4.45Å; I213-L217 WeakPolarHBondContact O-CG 3.44Å; I213-L217 PolarHBondContact O-N 2.84Å; I213-L933 HydrophobicContact CD1-CD1 3.75Å
214	I	86.8	Confident	87.6	Confident	16 Å²	16	63.1 Å²	63.1	8%	0.082	34%	0.341	C	S	.	.	H	α-helix	trans	-64.6	-39.5	179.5	-64.5	-62.7	0	0	0	111.3	V199 W202 Y210 A211 S212 L217 S218 P426	V199-I214 HydrophobicContact CG2-CB 4.45Å; V199-I214 HydrophobicContact CG2-CG2 4.07Å; W202-I214 HydrophobicContact CZ3-CB 4.32Å; W202-I214 HydrophobicContact CZ3-CG1 4.04Å; W202-I214 HydrophobicContact CZ3-CG2 4.33Å; Y210-I214 HydrophobicContact CD1-CG1 4.28Å; Y210-I214 HydrophobicContact CE1-CD1 4.46Å; Y210-I214 HydrophobicContact CE1-CG1 3.95Å; Y210-I214 HydrophobicContact CE2-CD1 4.29Å; Y210-I214 HydrophobicContact CE2-CG1 4.29Å; Y210-I214 WeakPolarHBondContact O-CG1 3.26Å; Y210-I214 PolarHBondContact O-N 3.37Å; A211-I214 PolarHBondContact O-N 3.35Å; S212-I214 PolarHBondContact O-N 2.9Å; I214-L217 PolarHBondContact O-N 3.12Å; I214-S218 VanDerWaalsContact O-CB 3.3Å; I214-S218 WeakPolarHBondContact O-CB 3.31Å; I214-S218 PolarHBondContact O-N 2.82Å; I214-S218 PolarHBondContact O-OG 3.45Å; I214-P426 HydrophobicContact CD1-CG 4.3Å
215	V	91.3	Very high	87.2	Confident	57 Å²	57	62.3 Å²	62.3	35%	0.345	33%	0.33	S	S	.	.	H	α-helix	trans	-59.6	-50.2	174.4	169.6	0	0	0	0	110.9	V199 A211 S212 I213 L217 S218 V219	V199-V215 HydrophobicContact CB-CG2 4.38Å; V199-V215 HydrophobicContact CG1-CG2 3.53Å; V199-V215 HydrophobicContact CG2-CG2 3.96Å; A211-V215 VanDerWaalsContact O-CG2 3.3Å; A211-V215 WeakPolarHBondContact O-CG2 3.43Å; A211-V215 PolarHBondContact O-N 3.26Å; S212-V215 PolarHBondContact O-N 2.81Å; I213-V215 VanDerWaalsContact C-N 3.35Å; I213-V215 PolarHBondContact O-N 3.27Å; V215-L217 PolarHBondContact O-N 3.04Å; V215-S218 PolarHBondContact O-N 3.43Å; V215-V219 HydrophobicContact CG1-CG2 4.39Å; V215-V219 VanDerWaalsContact O-CG2 3.3Å; V215-V219 WeakPolarHBondContact O-CG2 3.5Å; V215-V219 PolarHBondContact O-N 3.35Å
216	V	91	Very high	87.5	Confident	92 Å²	92	62 Å²	62	56%	0.558	33%	0.329	S	S	*	.	H	α-helix	trans	-59	-47.5	179.5	171.7	0	0	0	0	111	S212 I213 S218 V219 V220	S212-V216 WeakPolarHBondContact O-CG2 3.35Å; S212-V216 PolarHBondContact O-N 3.27Å; I213-V216 PolarHBondContact O-N 3Å; V216-S218 VanDerWaalsContact C-N 3.34Å; V216-S218 PolarHBondContact O-N 2.95Å; V216-V219 PolarHBondContact O-N 3.33Å; V216-V220 WeakPolarHBondContact O-CG2 3.12Å; V216-V220 PolarHBondContact O-N 2.95Å
217	L	85.4	Confident	87.7	Confident	106 Å²	106	66.2 Å²	66.2	56%	0.555	34%	0.338	S	S	*	.	H	α-helix	trans	-61.9	-40.6	178.3	-71.7	174.5	0	0	0	112.4	I213 I214 V215 V220 S221	I213-L217 HydrophobicContact CG2-CD1 3.94Å; I213-L217 HydrophobicContact CG2-CG 4.45Å; I213-L217 WeakPolarHBondContact O-CG 3.44Å; I213-L217 PolarHBondContact O-N 2.84Å; I214-L217 PolarHBondContact O-N 3.12Å; V215-L217 PolarHBondContact O-N 3.04Å; L217-V220 PolarHBondContact O-N 2.97Å; L217-S221 WeakPolarHBondContact O-CB 3.32Å; L217-S221 PolarHBondContact O-N 2.89Å
218	S	86.7	Confident	87.4	Confident	16 Å²	16	69.7 Å²	69.7	11%	0.112	36%	0.355	C	S	.	.	H	α-helix	trans	-67.7	-41.4	-179.4	-56	0	0	0	0	111.6	Q195 I214 V215 V216 S221 L222	Q195-S218 PolarHBondContact OE1-OG 2.91Å; Q195-S218 VanDerWaalsContact OE1-OG 3.1Å; I214-S218 VanDerWaalsContact O-CB 3.3Å; I214-S218 WeakPolarHBondContact O-CB 3.31Å; I214-S218 PolarHBondContact O-N 2.82Å; I214-S218 PolarHBondContact O-OG 3.45Å; V215-S218 PolarHBondContact O-N 3.43Å; V216-S218 VanDerWaalsContact C-N 3.34Å; V216-S218 PolarHBondContact O-N 2.95Å; S218-S221 PolarHBondContact O-N 2.67Å; S218-L222 WeakPolarHBondContact O-CB 3.06Å; S218-L222 WeakPolarHBondContact O-CG 3.44Å; S218-L222 PolarHBondContact O-N 3.1Å
219	V	90.9	Very high	87.1	Confident	67 Å²	67	66.1 Å²	66.1	41%	0.406	34%	0.344	S	S	.	.	H	α-helix	trans	-62.7	-48.3	175.7	171.3	0	0	0	0	110.7	V215 V216 S221 L222 F223	V215-V219 HydrophobicContact CG1-CG2 4.39Å; V215-V219 VanDerWaalsContact O-CG2 3.3Å; V215-V219 WeakPolarHBondContact O-CG2 3.5Å; V215-V219 PolarHBondContact O-N 3.35Å; V216-V219 PolarHBondContact O-N 3.33Å; V219-S221 PolarHBondContact O-N 2.95Å; V219-L222 PolarHBondContact O-N 3.48Å; V219-F223 HydrophobicContact CG1-CD2 3.67Å; V219-F223 HydrophobicContact CG1-CE2 3.42Å; V219-F223 VanDerWaalsContact CG1-CE2 3.42Å; V219-F223 WeakPolarHBondContact O-CD2 3.47Å; V219-F223 PolarHBondContact O-N 2.98Å; V219-F223 VanDerWaalsContact O-N 3.08Å
220	V	88.5	Confident	87.1	Confident	83 Å²	83	62 Å²	62	50%	0.503	33%	0.328	S	S	.	.	H	α-helix	trans	-60.9	-44.9	177.5	172.9	0	0	0	0	111.3	V216 L217 L222 F223 V224	V216-V220 WeakPolarHBondContact O-CG2 3.12Å; V216-V220 PolarHBondContact O-N 2.95Å; L217-V220 PolarHBondContact O-N 2.97Å; V220-L222 PolarHBondContact O-N 3.45Å; V220-F223 PolarHBondContact O-N 3.47Å; V220-V224 WeakPolarHBondContact O-CG2 3.28Å; V220-V224 PolarHBondContact O-N 3.3Å
221	S	83.2	Confident	86.9	Confident	48 Å²	48	67 Å²	67	34%	0.336	35%	0.349	S	S	.	.	H	α-helix	trans	-58	-47.7	176.9	-174.2	0	0	0	0	111.8	Y192 L217 S218 V219 F223 V224 D225	Y192-S221 PolarHBondContact OH-OG 3.06Å; Y192-S221 VanDerWaalsContact OH-OG 3.06Å; L217-S221 WeakPolarHBondContact O-CB 3.32Å; L217-S221 PolarHBondContact O-N 2.89Å; S218-S221 PolarHBondContact O-N 2.67Å; V219-S221 PolarHBondContact O-N 2.95Å; S221-F223 VanDerWaalsContact C-N 3.34Å; S221-F223 PolarHBondContact O-N 2.99Å; S221-V224 PolarHBondContact O-N 3.47Å; S221-D225 WeakPolarHBondContact O-CB 3.48Å; S221-D225 VanDerWaalsContact O-CG 3.28Å; S221-D225 PolarHBondContact O-N 3.29Å
222	L	87.8	Confident	86.1	Confident	25 Å²	25	71.1 Å²	71.1	13%	0.131	37%	0.371	C	S	.	.	H	α-helix	trans	-60.2	-42.1	178.9	-79.5	168.7	0	0	0	112.3	L183 Q186 Y192 S218 V219 V220 D225 V226	L183-L222 HydrophobicContact CD1-CB 4.44Å; Q186-L222 HydrophobicContact CB-CD2 3.99Å; Y192-L222 HydrophobicContact CD1-CD1 4.1Å; Y192-L222 HydrophobicContact CD1-CD2 4.2Å; Y192-L222 HydrophobicContact CD1-CG 4.05Å; Y192-L222 HydrophobicContact CD2-CD2 3.64Å; Y192-L222 HydrophobicContact CD2-CG 4.38Å; Y192-L222 HydrophobicContact CE1-CD1 4.16Å; Y192-L222 HydrophobicContact CE1-CD2 3.92Å; Y192-L222 HydrophobicContact CE1-CG 3.64Å; Y192-L222 HydrophobicContact CE2-CD2 3.32Å; Y192-L222 HydrophobicContact CE2-CG 4.02Å; Y192-L222 HydrophobicContact CG-CD1 4.44Å; Y192-L222 HydrophobicContact CG-CD2 4.1Å; Y192-L222 HydrophobicContact CG-CG 4.42Å; Y192-L222 VanDerWaalsContact CZ-CD2 3.47Å; S218-L222 WeakPolarHBondContact O-CB 3.06Å; S218-L222 WeakPolarHBondContact O-CG 3.44Å; S218-L222 PolarHBondContact O-N 3.1Å; V219-L222 PolarHBondContact O-N 3.48Å; V220-L222 PolarHBondContact O-N 3.45Å; L222-D225 PolarHBondContact O-N 3.08Å; L222-V226 WeakPolarHBondContact O-CB 3.3Å; L222-V226 VanDerWaalsContact O-CG2 3.24Å; L222-V226 WeakPolarHBondContact O-CG2 3.26Å; L222-V226 PolarHBondContact O-N 3.33Å
223	F	90.3	Very high	85.4	Confident	132 Å²	132	70.5 Å²	70.5	58%	0.579	36%	0.362	S	S	*	.	H	α-helix	trans	-64.4	-44.3	177.5	-81.7	-64.7	0	0	0	112.4	V219 V220 S221 Y227	V219-F223 HydrophobicContact CG1-CD2 3.67Å; V219-F223 HydrophobicContact CG1-CE2 3.42Å; V219-F223 VanDerWaalsContact CG1-CE2 3.42Å; V219-F223 WeakPolarHBondContact O-CD2 3.47Å; V219-F223 PolarHBondContact O-N 2.98Å; V219-F223 VanDerWaalsContact O-N 3.08Å; V220-F223 PolarHBondContact O-N 3.47Å; S221-F223 VanDerWaalsContact C-N 3.34Å; S221-F223 PolarHBondContact O-N 2.99Å; F223-Y227 VanDerWaalsContact O-CB 3.3Å; F223-Y227 WeakPolarHBondContact O-CB 3.36Å; F223-Y227 PolarHBondContact O-N 3.44Å
224	V	84.2	Confident	85.1	Confident	88 Å²	88	70.1 Å²	70.1	53%	0.533	36%	0.361	S	S	.	.	H	α-helix	trans	-62.6	-44.7	177.5	172.5	0	0	0	0	110.9	V220 S221 Y227 Q228	V220-V224 WeakPolarHBondContact O-CG2 3.28Å; V220-V224 PolarHBondContact O-N 3.3Å; S221-V224 PolarHBondContact O-N 3.47Å; V224-Y227 PolarHBondContact O-N 3.4Å; V224-Q228 WeakPolarHBondContact O-CB 3.32Å; V224-Q228 PolarHBondContact O-N 3.43Å
225	D	80.3	Confident	84.4	Confident	63 Å²	63	72 Å²	72	34%	0.337	38%	0.379	S	S	.	.	H	α-helix	trans	-64	-45.3	-180	-70.9	-24.7	0	0	0	111.9	Y192 S221 L222 Y227 Q228 I229	Y192-D225 PolarHBondContact OH-OD2 3.45Å; S221-D225 WeakPolarHBondContact O-CB 3.48Å; S221-D225 VanDerWaalsContact O-CG 3.28Å; S221-D225 PolarHBondContact O-N 3.29Å; L222-D225 PolarHBondContact O-N 3.08Å; D225-Y227 PolarHBondContact O-N 3.03Å; D225-Q228 PolarHBondContact O-N 3.48Å; D225-I229 VanDerWaalsContact O-CG1 3.26Å; D225-I229 WeakPolarHBondContact O-CG1 3.28Å; D225-I229 PolarHBondContact O-N 3.43Å
226	V	89.2	Confident	83.4	Confident	14 Å²	14	71.8 Å²	71.8	9%	0.085	38%	0.375	C	S	.	.	H	α-helix	trans	-63.2	-43	176.8	171	0	0	0	0	111.2	L182 L183 Q186 L222 I229 R230	L182-V226 HydrophobicContact CB-CG1 4.04Å; L183-V226 HydrophobicContact CB-CG2 4.24Å; L183-V226 HydrophobicContact CD1-CG2 4.08Å; Q186-V226 HydrophobicContact CB-CG2 4.45Å; Q186-V226 HydrophobicContact CG-CG2 4.13Å; L222-V226 WeakPolarHBondContact O-CB 3.3Å; L222-V226 VanDerWaalsContact O-CG2 3.24Å; L222-V226 WeakPolarHBondContact O-CG2 3.26Å; L222-V226 PolarHBondContact O-N 3.33Å; V226-I229 PolarHBondContact O-N 2.98Å; V226-R230 VanDerWaalsContact O-CB 3.31Å; V226-R230 WeakPolarHBondContact O-CB 3.31Å; V226-R230 PolarHBondContact O-N 3.05Å
227	Y	88.1	Confident	82.7	Confident	158 Å²	158	69.5 Å²	69.5	62%	0.62	36%	0.358	S	S	*	.	H	α-helix	trans	-60.4	-45.8	176.6	176.5	-101	0	0	0	111.6	F223 V224 D225 R230 K231	F223-Y227 VanDerWaalsContact O-CB 3.3Å; F223-Y227 WeakPolarHBondContact O-CB 3.36Å; F223-Y227 PolarHBondContact O-N 3.44Å; V224-Y227 PolarHBondContact O-N 3.4Å; D225-Y227 PolarHBondContact O-N 3.03Å; Y227-R230 PolarHBondContact O-N 2.95Å; Y227-K231 WeakPolarHBondContact O-CB 3.46Å; Y227-K231 PolarHBondContact O-N 2.95Å
228	Q	80	Confident	82.1	Confident	89 Å²	89	70.1 Å²	70.1	42%	0.416	36%	0.362	S	S	.	.	H	α-helix	trans	-65.9	-43.5	-179.8	-173.9	60.9	21.5	0	0	112.1	V224 D225 R230 K231 N232	V224-Q228 WeakPolarHBondContact O-CB 3.32Å; V224-Q228 PolarHBondContact O-N 3.43Å; D225-Q228 PolarHBondContact O-N 3.48Å; Q228-R230 VanDerWaalsContact C-N 3.31Å; Q228-R230 PolarHBondContact O-N 2.95Å; Q228-K231 PolarHBondContact O-N 3.47Å; Q228-N232 PolarHBondContact NE2-OD1 3.23Å; Q228-N232 VanDerWaalsContact O-CG 3.32Å; Q228-N232 PolarHBondContact O-N 3.14Å
229	I	81.5	Confident	81.1	Confident	49 Å²	49	73.3 Å²	73.3	25%	0.251	39%	0.385	S	S	.	.	H	α-helix	trans	-60.8	-43.9	175.3	-68.2	165.8	0	0	0	110.3	L182 Q186 D225 V226 N232 Q233	L182-I229 HydrophobicContact CD1-CG2 4.18Å; L182-I229 HydrophobicContact CD2-CG2 3.9Å; Q186-I229 HydrophobicContact CG-CD1 4.09Å; D225-I229 VanDerWaalsContact O-CG1 3.26Å; D225-I229 WeakPolarHBondContact O-CG1 3.28Å; D225-I229 PolarHBondContact O-N 3.43Å; V226-I229 PolarHBondContact O-N 2.98Å; I229-N232 PolarHBondContact O-N 3.22Å; I229-Q233 WeakPolarHBondContact O-CG 3.42Å; I229-Q233 PolarHBondContact O-N 3.33Å
230	R	87.7	Confident	80	Confident	61 Å²	61	71.4 Å²	71.4	23%	0.23	37%	0.372	C	S	.	.	H	α-helix	trans	-63.4	-44.7	179.4	-177.1	62.3	-178.8	163.6	4.1	111.7	K177 L182 V226 Y227 Q228 N232 Q233 L234	K177-R230 PolarHBondContact O-NH1 3.12Å; L182-R230 HydrophobicContact CD1-CB 4.24Å; V226-R230 VanDerWaalsContact O-CB 3.31Å; V226-R230 WeakPolarHBondContact O-CB 3.31Å; V226-R230 PolarHBondContact O-N 3.05Å; Y227-R230 PolarHBondContact O-N 2.95Å; Q228-R230 VanDerWaalsContact C-N 3.31Å; Q228-R230 PolarHBondContact O-N 2.95Å; R230-N232 VanDerWaalsContact C-N 3.34Å; R230-N232 PolarHBondContact O-N 3.47Å; R230-Q233 PolarHBondContact O-N 3.46Å; R230-L234 HydrophobicContact CG-CD1 4.22Å; R230-L234 WeakPolarHBondContact O-CG 3.31Å; R230-L234 PolarHBondContact O-N 3.33Å
231	K	82.7	Confident	78.7	Confident	117 Å²	117	71 Å²	71	51%	0.509	36%	0.364	S	S	.	.	H	α-helix	trans	-58.5	-45.3	176.1	-177	179.8	176.6	-178.8	0	111.6	Y227 Q228 L234 A235	Y227-K231 WeakPolarHBondContact O-CB 3.46Å; Y227-K231 PolarHBondContact O-N 2.95Å; Q228-K231 PolarHBondContact O-N 3.47Å; K231-L234 PolarHBondContact O-N 3.41Å; K231-A235 PolarHBondContact O-N 3.14Å
232	N	72	Confident	77.9	Confident	86 Å²	86	76.2 Å²	76.2	46%	0.46	38%	0.381	S	S	.	.	H	α-helix	trans	-65.3	-39.2	178.1	-71.3	-6.5	0	0	0	112.4	Q228 I229 R230 A235 L236	Q228-N232 PolarHBondContact NE2-OD1 3.23Å; Q228-N232 VanDerWaalsContact O-CG 3.32Å; Q228-N232 PolarHBondContact O-N 3.14Å; I229-N232 PolarHBondContact O-N 3.22Å; R230-N232 VanDerWaalsContact C-N 3.34Å; R230-N232 PolarHBondContact O-N 3.47Å; N232-A235 PolarHBondContact O-N 3Å; N232-L236 PolarHBondContact O-N 2.96Å; N232-L236 VanDerWaalsContact O-N 3.1Å
233	Q	77.6	Confident	77.3	Confident	42 Å²	42	79 Å²	79	20%	0.196	40%	0.399	C	S	.	.	H	α-helix	trans	-64.3	-40.4	175.1	-75.9	-177.6	-17.9	0	0	112.4	L176 I229 R230 H237	L176-Q233 HydrophobicContact CD2-CB 3.94Å; I229-Q233 WeakPolarHBondContact O-CG 3.42Å; I229-Q233 PolarHBondContact O-N 3.33Å; R230-Q233 PolarHBondContact O-N 3.46Å; Q233-H237 VanDerWaalsContact O-CB 3.25Å; Q233-H237 WeakPolarHBondContact O-CB 3.48Å; Q233-H237 PolarHBondContact O-N 3.08Å
234	L	82.6	Confident	76.9	Confident	64 Å²	64	76 Å²	76	34%	0.335	39%	0.389	S	S	.	.	H	α-helix	trans	-66.4	-42.1	176.8	-72.6	169.3	0	0	0	111.9	L176 R230 K231 H237 N238	L176-L234 HydrophobicContact CD1-CD2 3.87Å; L176-L234 HydrophobicContact CD2-CD2 4.29Å; R230-L234 HydrophobicContact CG-CD1 4.22Å; R230-L234 WeakPolarHBondContact O-CG 3.31Å; R230-L234 PolarHBondContact O-N 3.33Å; K231-L234 PolarHBondContact O-N 3.41Å; L234-H237 PolarHBondContact O-N 3.22Å; L234-N238 WeakPolarHBondContact O-CB 3.35Å; L234-N238 PolarHBondContact O-N 2.9Å; L234-N238 PolarHBondContact O-ND2 2.82Å; L234-N238 PolarHBondContact O-OD1 3.36Å
235	A	71.3	Confident	77.1	Confident	55 Å²	55	79.2 Å²	79.2	46%	0.455	40%	0.396	S	S	.	.	H	α-helix	trans	-59.2	-48.8	175.7	0	0	0	0	0	111.4	K231 N232 H237 N238 S239	K231-A235 PolarHBondContact O-N 3.14Å; N232-A235 PolarHBondContact O-N 3Å; A235-H237 PolarHBondContact O-N 2.96Å; A235-N238 PolarHBondContact O-N 3.42Å; A235-S239 PolarHBondContact O-N 2.97Å; A235-S239 VanDerWaalsContact O-N 3.14Å; A235-S239 PolarHBondContact O-OG 2.98Å; A235-S239 VanDerWaalsContact O-OG 3.11Å
236	L	70.4	Confident	77.5	Confident	52 Å²	52	77.3 Å²	77.3	27%	0.272	39%	0.387	S	S	.	.	H	α-helix	trans	-63.4	-41.2	178	-172.7	68.9	0	0	0	112.5	I174 N232 S239 I240	I174-L236 HydrophobicContact CD1-CD2 3.64Å; I174-L236 HydrophobicContact CD1-CG 3.72Å; N232-L236 PolarHBondContact O-N 2.96Å; N232-L236 VanDerWaalsContact O-N 3.1Å; L236-S239 PolarHBondContact O-N 3.31Å; L236-I240 HydrophobicContact CD1-CD1 3.77Å; L236-I240 HydrophobicContact CG-CD1 4Å; L236-I240 WeakPolarHBondContact O-CG1 3.13Å
237	H	77.1	Confident	77.6	Confident	44 Å²	44	77.3 Å²	77.3	20%	0.204	39%	0.39	C	S	.	.	H	α-helix	trans	-62.5	-45.7	177.8	-178.8	86.4	0	0	0	111.6	I174 L176 Q233 L234 A235 S239 I240 H241	I174-H237 PolarHBondContact O-ND1 3.33Å; L176-H237 HydrophobicContact CD2-CB 3.98Å; L176-H237 HydrophobicContact CG-CB 4.42Å; Q233-H237 VanDerWaalsContact O-CB 3.25Å; Q233-H237 WeakPolarHBondContact O-CB 3.48Å; Q233-H237 PolarHBondContact O-N 3.08Å; L234-H237 PolarHBondContact O-N 3.22Å; A235-H237 PolarHBondContact O-N 2.96Å; H237-S239 VanDerWaalsContact C-N 3.33Å; H237-S239 PolarHBondContact O-N 3.46Å; H237-I240 PolarHBondContact O-N 3.22Å; H237-H241 PolarHBondContact O-N 3.49Å
238	N	72.5	Confident	77.9	Confident	119 Å²	119	69.8 Å²	69.8	64%	0.636	36%	0.361	S	S	*	.	H	α-helix	trans	-68.2	-28.9	-179.6	-68.4	-8.5	0	0	0	113.3	L234 A235	L234-N238 WeakPolarHBondContact O-CB 3.35Å; L234-N238 PolarHBondContact O-N 2.9Å; L234-N238 PolarHBondContact O-ND2 2.82Å; L234-N238 PolarHBondContact O-OD1 3.36Å; A235-N238 PolarHBondContact O-N 3.42Å
239	S	65.2	Low	78.5	Confident	84 Å²	84	66.3 Å²	66.3	59%	0.587	35%	0.345	S	S	*	.	H	α-helix	trans	-77.5	-23	-179	-65.2	0	0	0	0	114.4	A235 L236 H237	A235-S239 PolarHBondContact O-N 2.97Å; A235-S239 VanDerWaalsContact O-N 3.14Å; A235-S239 PolarHBondContact O-OG 2.98Å; A235-S239 VanDerWaalsContact O-OG 3.11Å; L236-S239 PolarHBondContact O-N 3.31Å; H237-S239 VanDerWaalsContact C-N 3.33Å; H237-S239 PolarHBondContact O-N 3.46Å
240	I	67.3	Low	79	Confident	26 Å²	26	65.1 Å²	65.1	13%	0.133	34%	0.337	C	S	.	.	H	α-helix	trans	-103.6	-32	-169.7	-62.5	174.3	0	0	0	112.1	I172 I174 L236 H237 K242 V363	I172-I240 HydrophobicContact CB-CG2 3.93Å; I172-I240 HydrophobicContact CG2-CG2 3.68Å; I174-I240 HydrophobicContact CD1-CD1 3.66Å; L236-I240 HydrophobicContact CD1-CD1 3.77Å; L236-I240 HydrophobicContact CG-CD1 4Å; L236-I240 WeakPolarHBondContact O-CG1 3.13Å; H237-I240 PolarHBondContact O-N 3.22Å; I240-K242 PolarHBondContact O-N 2.94Å; I240-V363 HydrophobicContact CD1-CG1 3.81Å; I240-V363 HydrophobicContact CD1-CG2 4.21Å
241	H	61.8	Low	79	Confident	75 Å²	75	66.5 Å²	66.5	35%	0.347	35%	0.349	S	S	.	.			trans	-78.8	103.1	-171.4	-154.6	-84.3	0	0	0	111.8	H237	H237-H241 PolarHBondContact O-N 3.49Å
242	K	66.4	Low	79.2	Confident	157 Å²	157	64 Å²	64	68%	0.683	36%	0.356	S	S	*	.			trans	-125.7	128.5	166.4	-72.5	-173.6	179.2	-177.6	0	109	I240	I240-K242 PolarHBondContact O-N 2.94Å
243	T	74.4	Confident	80	Confident	84 Å²	84	65.3 Å²	65.3	52%	0.515	36%	0.362	S	S	.	.			trans	-117.5	138.8	174.4	51.5	0	0	0	0	108.4	T260	T243-T260 HydrophobicContact CG2-CG2 3.9Å
244	D	82.3	Confident	80.6	Confident	70 Å²	70	66.8 Å²	66.8	37%	0.374	37%	0.374	S	S	.	.			trans	-138.6	178.8	179.3	-151.1	-14.1	0	0	0	110.3	S259	D244-S259 PolarHBondContact N-OG 2.99Å; D244-S259 VanDerWaalsContact N-OG 3.09Å; D244-S259 VanDerWaalsContact O-CB 3.28Å; D244-S259 WeakPolarHBondContact O-CB 3.29Å; D244-S259 PolarHBondContact O-N 3.34Å; D244-S259 PolarHBondContact O-OG 3.05Å
245	F	88.4	Confident	81	Confident	154 Å²	154	66.2 Å²	66.2	68%	0.675	37%	0.373	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.5	137.6	171.7	-68.6	-86.2	0	0	0	110.4	T256 V257	F245-T256 HydrophobicContact CB-CG2 3.89Å; F245-V257 WeakPolarHBondContact CA-O 3.34Å
246	V	89.5	Confident	82	Confident	23 Å²	23	68.7 Å²	68.7	14%	0.139	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	137.2	-175	-173.5	0	0	0	0	109.4	V257 L262 I268	V246-V257 PolarHBondContact N-O 3.29Å; V246-V257 PolarHBondContact O-N 3.19Å; V246-L262 HydrophobicContact CB-CD1 4.49Å; V246-L262 HydrophobicContact CG2-CD1 4.25Å; V246-I268 HydrophobicContact CG1-CB 3.96Å; V246-I268 HydrophobicContact CG1-CG2 3.72Å
247	G	92.1	Very high	83.1	Confident	15 Å²	15	67 Å²	67	16%	0.155	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	127.6	170.7	0	0	0	0	0	110.6	T255 I268 V269	G247-T255 CarbonylContact C-O 3.6Å; G247-T255 WeakPolarHBondContact CA-O 3.39Å; G247-I268 CarbonylContact O-C 3.59Å; G247-I268 VanDerWaalsContact O-CA 3.29Å; G247-I268 WeakPolarHBondContact O-CA 3.35Å; G247-V269 PolarHBondContact O-N 3.35Å
248	V	93.4	Very high	83.8	Confident	0 Å²	0	66.2 Å²	66.2	0%	0	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	139.8	-178.7	-174.7	0	0	0	0	109.7	R250 V254 T255 V257 L262 D266 V267 I268	V248-R250 HydrophobicContact CG1-CG 3.85Å; V248-V254 CarbonylContact O-C 3.58Å; V248-V254 WeakPolarHBondContact O-CA 3.43Å; V248-T255 PolarHBondContact N-O 3.06Å; V248-T255 PolarHBondContact O-N 3.45Å; V248-T255 PolarHBondContact O-OG1 3.45Å; V248-V257 HydrophobicContact CB-CG2 4.18Å; V248-V257 HydrophobicContact CG2-CG2 3.42Å; V248-V257 VanDerWaalsContact CG2-CG2 3.42Å; V248-L262 HydrophobicContact CG2-CD2 3.41Å; V248-L262 VanDerWaalsContact CG2-CD2 3.41Å; V248-D266 HydrophobicContact CG1-CB 3.96Å; V248-V267 CarbonylContact C-O 3.55Å; V248-V267 WeakPolarHBondContact CA-O 3.49Å; V248-I268 HydrophobicContact CG2-CG2 3.98Å
249	I	92.6	Very high	84.7	Confident	15 Å²	15	60.7 Å²	60.7	8%	0.077	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	110.8	171.9	-56.6	176.8	0	0	0	108.4	I253 V254 V267 V269 K347	I249-I253 WeakPolarHBondContact CA-O 3.34Å; I249-V254 HydrophobicContact CG1-CG2 4.04Å; I249-V267 HydrophobicContact CB-CB 4.28Å; I249-V267 HydrophobicContact CB-CG1 4.49Å; I249-V267 HydrophobicContact CD1-CG1 3.9Å; I249-V267 HydrophobicContact CG1-CG1 4.38Å; I249-V267 PolarHBondContact N-O 3.26Å; I249-V269 HydrophobicContact CD1-CG2 4.3Å; I249-V269 HydrophobicContact CG1-CG2 4.11Å; I249-K347 HydrophobicContact CD1-CD 3.97Å; I249-K347 HydrophobicContact CD1-CG 4.43Å
250	R	91.4	Very high	85.9	Confident	25 Å²	25	58.1 Å²	58.1	9%	0.094	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	135.8	174.3	-65.5	-179.8	177.1	171.3	-0.3	108.8	W155 V160 V248 G252 I253 Q261 D266	W155-R250 WeakPolarHBondContact O-CA 3.36Å; V160-R250 HydrophobicContact CG2-CG 4.46Å; V248-R250 HydrophobicContact CG1-CG 3.85Å; R250-G252 PolarHBondContact O-N 3.22Å; R250-G252 VanDerWaalsContact O-N 3.1Å; R250-I253 PolarHBondContact N-O 3.46Å; R250-I253 PolarHBondContact O-N 2.92Å; R250-I253 VanDerWaalsContact O-O 3.12Å; R250-Q261 PolarHBondContact NH2-O 3.3Å; R250-D266 IonicContact CZ-OD2 2.69Å; R250-D266 IonicContact NE-OD1 3.29Å; R250-D266 IonicContact NE-OD2 2.73Å; R250-D266 IonicContact NH2-OD1 2.61Å; R250-D266 IonicContact NH2-OD2 2.79Å; R250-D266 PolarHBondContact NH2-OD2 3.02Å
251	D	88.4	Confident	87.1	Confident	89 Å²	89	61.8 Å²	61.8	48%	0.476	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.9	32.4	-175.1	-54.4	-56.9	0	0	0	113	W155 T156 S157 I253	W155-D251 PolarHBondContact O-N 3.49Å; T156-D251 WeakPolarHBondContact CA-OD1 3.37Å; T156-D251 VanDerWaalsContact CB-OD1 3.25Å; T156-D251 WeakPolarHBondContact CB-OD1 3.07Å; S157-D251 VanDerWaalsContact CB-OD2 3.28Å; S157-D251 WeakPolarHBondContact CB-OD2 3.45Å; S157-D251 PolarHBondContact N-OD1 3.36Å; S157-D251 PolarHBondContact N-OD2 3.13Å; S157-D251 PolarHBondContact OG-OD2 2.68Å; D251-I253 VanDerWaalsContact C-N 3.27Å; D251-I253 PolarHBondContact O-N 3.26Å
252	G	85.7	Confident	88.6	Confident	64 Å²	64	58.2 Å²	58.2	66%	0.66	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.4	-1.8	-177.5	0	0	0	0	0	115.9	R250	R250-G252 PolarHBondContact O-N 3.22Å; R250-G252 VanDerWaalsContact O-N 3.1Å
253	I	90	Very high	89.9	Confident	114 Å²	114	50.8 Å²	50.8	59%	0.585	29%	0.293	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.2	137.2	-176.5	-57.4	169.8	0	0	0	110.1	I249 R250 D251 T255	I249-I253 WeakPolarHBondContact CA-O 3.34Å; R250-I253 PolarHBondContact N-O 3.46Å; R250-I253 PolarHBondContact O-N 2.92Å; R250-I253 VanDerWaalsContact O-O 3.12Å; D251-I253 VanDerWaalsContact C-N 3.27Å; D251-I253 PolarHBondContact O-N 3.26Å; I253-T255 HydrophobicContact CG2-CG2 4.34Å; I253-T255 PolarHBondContact O-N 3.17Å
254	V	89.6	Confident	90.8	Very high	74 Å²	74	46.9 Å²	46.9	45%	0.448	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	116.2	173	-176.5	0	0	0	0	109	V248 I249 V269 L345	V248-V254 CarbonylContact O-C 3.58Å; V248-V254 WeakPolarHBondContact O-CA 3.43Å; I249-V254 HydrophobicContact CG1-CG2 4.04Å; V254-V269 HydrophobicContact CG1-CG2 4.17Å; V254-V269 HydrophobicContact CG2-CG2 4.29Å; V254-L345 HydrophobicContact CG2-CD1 4.1Å
255	T	91.9	Very high	91.3	Very high	52 Å²	52	43.5 Å²	43.5	32%	0.319	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	139.1	179.1	58.1	0	0	0	0	110.1	G247 V248 I253	G247-T255 CarbonylContact C-O 3.6Å; G247-T255 WeakPolarHBondContact CA-O 3.39Å; V248-T255 PolarHBondContact N-O 3.06Å; V248-T255 PolarHBondContact O-N 3.45Å; V248-T255 PolarHBondContact O-OG1 3.45Å; I253-T255 HydrophobicContact CG2-CG2 4.34Å; I253-T255 PolarHBondContact O-N 3.17Å
256	T	91.6	Very high	91.5	Very high	107 Å²	107	36.2 Å²	36.2	66%	0.656	22%	0.219	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-89	120.3	175.5	-54.1	0	0	0	0	109.3	F245	F245-T256 HydrophobicContact CB-CG2 3.89Å
257	V	92.6	Very high	91.8	Very high	16 Å²	16	35.2 Å²	35.2	10%	0.097	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	161.5	-180	-60.1	0	0	0	0	110.5	F245 V246 V248 L262	F245-V257 WeakPolarHBondContact CA-O 3.34Å; V246-V257 PolarHBondContact N-O 3.29Å; V246-V257 PolarHBondContact O-N 3.19Å; V248-V257 HydrophobicContact CB-CG2 4.18Å; V248-V257 HydrophobicContact CG2-CG2 3.42Å; V248-V257 VanDerWaalsContact CG2-CG2 3.42Å; V257-L262 HydrophobicContact CG2-CD2 4.35Å
258	S	92.5	Very high	91.8	Very high	28 Å²	28	34.6 Å²	34.6	20%	0.196	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	140.8	171.2	177.7	0	0	0	0	110	T260 Q261	S258-T260 PolarHBondContact O-N 3.37Å; S258-T260 PolarHBondContact OG-N 3.04Å; S258-T260 PolarHBondContact OG-OG1 2.7Å; S258-Q261 WeakPolarHBondContact O-CB 3.19Å; S258-Q261 PolarHBondContact O-N 3.07Å
259	S	90.6	Very high	91.8	Very high	2 Å²	2	35.6 Å²	35.6	1%	0.014	21%	0.212	C	C	.	.	G	3₁₀ helix	trans	-53.4	-25.8	174.4	66.9	0	0	0	0	113.2	N170 D244 Q261 L262 T278	N170-S259 WeakPolarHBondContact CB-O 3.33Å; N170-S259 PolarHBondContact ND2-O 2.95Å; D244-S259 PolarHBondContact N-OG 2.99Å; D244-S259 VanDerWaalsContact N-OG 3.09Å; D244-S259 VanDerWaalsContact O-CB 3.28Å; D244-S259 WeakPolarHBondContact O-CB 3.29Å; D244-S259 PolarHBondContact O-N 3.34Å; D244-S259 PolarHBondContact O-OG 3.05Å; S259-Q261 VanDerWaalsContact C-N 3.28Å; S259-Q261 PolarHBondContact O-N 3.18Å; S259-L262 WeakPolarHBondContact O-CG 3.49Å; S259-T278 WeakPolarHBondContact CB-OG1 3.43Å
260	T	91.2	Very high	91.7	Very high	30 Å²	30	35.3 Å²	35.3	18%	0.184	21%	0.211	C	C	.	.	G	3₁₀ helix	trans	-69.8	-20.7	176.9	60.1	0	0	0	0	113.9	P169 N170 T243 S258	P169-T260 CarbonylContact C-O 3.5Å; P169-T260 VanDerWaalsContact CA-O 3.3Å; P169-T260 WeakPolarHBondContact CA-O 3.42Å; N170-T260 PolarHBondContact N-O 2.99Å; T243-T260 HydrophobicContact CG2-CG2 3.9Å; S258-T260 PolarHBondContact O-N 3.37Å; S258-T260 PolarHBondContact OG-N 3.04Å; S258-T260 PolarHBondContact OG-OG1 2.7Å
261	Q	92.5	Very high	91.5	Very high	103 Å²	103	36.9 Å²	36.9	48%	0.481	22%	0.224	S	C	.	.	G	3₁₀ helix	trans	-95.3	5.6	-178.5	-62.8	-179.1	-10.2	0	0	113.3	R250 S258 S259	R250-Q261 PolarHBondContact NH2-O 3.3Å; S258-Q261 WeakPolarHBondContact O-CB 3.19Å; S258-Q261 PolarHBondContact O-N 3.07Å; S259-Q261 VanDerWaalsContact C-N 3.28Å; S259-Q261 PolarHBondContact O-N 3.18Å
262	L	93.6	Very high	90.9	Very high	1 Å²	1	37.1 Å²	37.1	1%	0.005	23%	0.226	C	C	.	.			trans	-71.3	136.7	176.8	-65.6	176.8	0	0	0	110.7	N170 V246 V248 V257 S259 I268 C279	N170-L262 HydrophobicContact CB-CB 4.18Å; N170-L262 WeakPolarHBondContact CB-O 3.38Å; V246-L262 HydrophobicContact CB-CD1 4.49Å; V246-L262 HydrophobicContact CG2-CD1 4.25Å; V248-L262 HydrophobicContact CG2-CD2 3.41Å; V248-L262 VanDerWaalsContact CG2-CD2 3.41Å; V257-L262 HydrophobicContact CG2-CD2 4.35Å; S259-L262 WeakPolarHBondContact O-CG 3.49Å; L262-I268 HydrophobicContact CD2-CG2 3.85Å; L262-C279 HydrophobicContact CD1-CB 4.5Å
263	V	94	Very high	90.3	Very high	1 Å²	1	39.7 Å²	39.7	1%	0.006	23%	0.228	C	C	.	.			trans	-120.8	153.8	173.9	-63.7	0	0	0	0	110.8	V160 L163 A164 G265 D266	V160-V263 HydrophobicContact CG1-CG2 4.29Å; V160-V263 HydrophobicContact CG2-CG2 4.32Å; L163-V263 HydrophobicContact CB-CB 4.13Å; L163-V263 HydrophobicContact CB-CG1 4.16Å; L163-V263 HydrophobicContact CB-CG2 4.2Å; L163-V263 HydrophobicContact CD1-CG2 4.19Å; A164-V263 HydrophobicContact CB-CG1 3.92Å; V263-G265 PolarHBondContact O-N 3.43Å; V263-D266 PolarHBondContact N-OD2 3.05Å; V263-D266 WeakPolarHBondContact O-CB 3.14Å; V263-D266 PolarHBondContact O-N 3.19Å; V263-D266 VanDerWaalsContact O-N 3.08Å
264	P	93.3	Very high	89.7	Confident	1 Å²	1	36 Å²	36	1%	0.006	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.9	134.1	172.5	-27.1	37.7	0	0	0	112.2	L103 W155 Y167 T353	L103-P264 HydrophobicContact CD1-CB 3.74Å; W155-P264 PolarHBondContact NE1-O 2.9Å; Y167-P264 HydrophobicContact CD1-CG 3.79Å; Y167-P264 HydrophobicContact CD2-CG 4.47Å; Y167-P264 HydrophobicContact CE1-CG 3.73Å; Y167-P264 HydrophobicContact CE2-CG 4.44Å; Y167-P264 HydrophobicContact CG-CG 4.18Å; P264-T353 HydrophobicContact CG-CG2 4.18Å
265	G	91.5	Very high	89.6	Confident	0 Å²	0	33.7 Å²	33.7	0%	0	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	91.4	-13.8	-173.3	0	0	0	0	0	114.7	H152 W155 V263 V267 V350	H152-G265 PolarHBondContact CD2-O 2.95Å; H152-G265 PolarHBondContact NE2-O 3.06Å; W155-G265 VanDerWaalsContact NE1-C 3.26Å; W155-G265 VanDerWaalsContact NE1-CA 3.28Å; V263-G265 PolarHBondContact O-N 3.43Å; G265-V267 PolarHBondContact O-N 2.99Å; G265-V350 PolarHBondContact N-O 3.06Å
266	D	94.1	Very high	89.4	Confident	0 Å²	0	33.4 Å²	33.4	0%	0	20%	0.204	C	C	.	.			trans	-55.3	135.7	174.5	-88.7	-16.9	0	0	0	110.8	V248 R250 V263 I349 V350	V248-D266 HydrophobicContact CG1-CB 3.96Å; R250-D266 IonicContact CZ-OD2 2.69Å; R250-D266 IonicContact NE-OD1 3.29Å; R250-D266 IonicContact NE-OD2 2.73Å; R250-D266 IonicContact NH2-OD1 2.61Å; R250-D266 IonicContact NH2-OD2 2.79Å; R250-D266 PolarHBondContact NH2-OD2 3.02Å; V263-D266 PolarHBondContact N-OD2 3.05Å; V263-D266 WeakPolarHBondContact O-CB 3.14Å; V263-D266 PolarHBondContact O-N 3.19Å; V263-D266 VanDerWaalsContact O-N 3.08Å; D266-I349 WeakPolarHBondContact O-CA 3.48Å; D266-V350 HydrophobicContact CB-CB 4.38Å; D266-V350 HydrophobicContact CB-CG2 4.05Å; D266-V350 WeakPolarHBondContact O-CG2 3.34Å; D266-V350 PolarHBondContact O-N 3.23Å
267	V	94.3	Very high	89.4	Confident	3 Å²	3	28.7 Å²	28.7	2%	0.018	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	109.7	173.7	-179.4	0	0	0	0	108.4	H152 V248 I249 G265 I284 K347 A348 I349	H152-V267 WeakPolarHBondContact O-CG2 3.26Å; V248-V267 CarbonylContact C-O 3.55Å; V248-V267 WeakPolarHBondContact CA-O 3.49Å; I249-V267 HydrophobicContact CB-CB 4.28Å; I249-V267 HydrophobicContact CB-CG1 4.49Å; I249-V267 HydrophobicContact CD1-CG1 3.9Å; I249-V267 HydrophobicContact CG1-CG1 4.38Å; I249-V267 PolarHBondContact N-O 3.26Å; G265-V267 PolarHBondContact O-N 2.99Å; V267-I284 HydrophobicContact CG1-CD1 4.4Å; V267-K347 HydrophobicContact CG1-CB 4.26Å; V267-K347 HydrophobicContact CG1-CD 4.41Å; V267-A348 CarbonylContact C-O 3.58Å; V267-A348 WeakPolarHBondContact CA-O 3.38Å; V267-I349 HydrophobicContact CG2-CG1 4.05Å
268	I	94	Very high	89.3	Confident	2 Å²	2	29.1 Å²	29.1	1%	0.01	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	146.8	179.2	56.8	169.6	0	0	0	111.4	V246 G247 V248 L262 I270 M277 A281 K347 A348 V350	V246-I268 HydrophobicContact CG1-CB 3.96Å; V246-I268 HydrophobicContact CG1-CG2 3.72Å; G247-I268 CarbonylContact O-C 3.59Å; G247-I268 VanDerWaalsContact O-CA 3.29Å; G247-I268 WeakPolarHBondContact O-CA 3.35Å; V248-I268 HydrophobicContact CG2-CG2 3.98Å; L262-I268 HydrophobicContact CD2-CG2 3.85Å; I268-I270 HydrophobicContact CD1-CD1 3.69Å; I268-I270 HydrophobicContact CG1-CD1 4.14Å; I268-M277 HydrophobicContact CD1-CE 3.86Å; I268-A281 HydrophobicContact CD1-CB 3.88Å; I268-K347 WeakPolarHBondContact O-CA 3.31Å; I268-A348 HydrophobicContact CD1-CB 4.31Å; I268-A348 HydrophobicContact CG1-CB 3.96Å; I268-A348 VanDerWaalsContact CG1-O 3.24Å; I268-A348 WeakPolarHBondContact CG1-O 3.36Å; I268-A348 PolarHBondContact N-O 3.41Å; I268-A348 PolarHBondContact O-N 2.93Å; I268-V350 HydrophobicContact CD1-CG2 4.38Å; I268-V350 HydrophobicContact CG1-CG2 4.36Å; I268-V350 HydrophobicContact CG2-CG2 3.76Å
269	V	92.2	Very high	89.3	Confident	21 Å²	21	27.8 Å²	27.8	13%	0.127	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	121.6	171.9	-179.1	0	0	0	0	108.4	G247 I249 V254 L345 V346	G247-V269 PolarHBondContact O-N 3.35Å; I249-V269 HydrophobicContact CD1-CG2 4.3Å; I249-V269 HydrophobicContact CG1-CG2 4.11Å; V254-V269 HydrophobicContact CG1-CG2 4.17Å; V254-V269 HydrophobicContact CG2-CG2 4.29Å; V269-L345 HydrophobicContact CG1-CB 4.24Å; V269-L345 HydrophobicContact CG1-CD2 4.28Å; V269-L345 HydrophobicContact CG2-CD1 4.41Å; V269-V346 WeakPolarHBondContact CA-O 3.4Å
270	I	90.8	Very high	89.4	Confident	9 Å²	9	27.8 Å²	27.8	5%	0.046	17%	0.167	C	C	.	.	P	Polyproline II helix	trans	-85.5	124.5	-179.9	-51	-58.9	0	0	0	109	I268 M277 L329 V335 T338 V346	I268-I270 HydrophobicContact CD1-CD1 3.69Å; I268-I270 HydrophobicContact CG1-CD1 4.14Å; I270-M277 HydrophobicContact CD1-CE 4.21Å; I270-M277 HydrophobicContact CD1-SD 3.99Å; I270-L329 HydrophobicContact CD1-CD1 4.1Å; I270-L329 HydrophobicContact CG1-CD1 4.25Å; I270-V335 HydrophobicContact CG2-CB 4.46Å; I270-V335 HydrophobicContact CG2-CG1 3.96Å; I270-V335 HydrophobicContact CG2-CG2 4.16Å; I270-T338 HydrophobicContact CB-CG2 4.15Å; I270-T338 HydrophobicContact CG2-CG2 3.56Å; I270-V346 HydrophobicContact CB-CB 4.28Å; I270-V346 HydrophobicContact CB-CG1 3.94Å; I270-V346 HydrophobicContact CG1-CG1 4.16Å; I270-V346 PolarHBondContact N-O 3.19Å
271	P	86.4	Confident	89.5	Confident	57 Å²	57	26.3 Å²	26.3	37%	0.37	16%	0.158	S	C	.	.	P	Polyproline II helix	trans	-67.8	157.3	179.1	29.5	-35.9	0	0	0	112.1	C275 T338	P271-C275 HydrophobicContact CG-CB 3.59Å; P271-T338 WeakPolarHBondContact O-CG2 3.3Å
272	N	77.2	Confident	89.6	Confident	95 Å²	95	21.4 Å²	21.4	51%	0.508	14%	0.136	S	C	.	.	S	Bend	trans	-76.3	-35.6	-179.7	54.6	-11.4	0	0	0	114	T338 Y340	N272-T338 WeakPolarHBondContact CA-OG1 3.37Å; N272-Y340 HydrophobicContact CB-CE1 4.21Å
273	V	73.3	Confident	89.4	Confident	117 Å²	117	21.4 Å²	21.4	71%	0.709	14%	0.135	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-92.1	120.4	172.7	-172.4	0	0	0	0	106.7
274	G	76.8	Confident	89.2	Confident	38 Å²	38	22.2 Å²	22.2	39%	0.392	14%	0.139	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-41.1	152	-162.5	0	0	0	0	0	118.3	V335	G274-V335 CarbonylContact C-O 3.29Å; G274-V335 WeakPolarHBondContact CA-O 3.17Å
275	C	87.7	Confident	88.7	Confident	24 Å²	24	23.2 Å²	23.2	16%	0.162	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	158.5	-178.2	67.4	0	0	0	0	112	P271 E334 V335	P271-C275 HydrophobicContact CG-CB 3.59Å; C275-E334 CarbonylContact O-C 3.47Å; C275-V335 PolarHBondContact N-O 3.23Å; C275-V335 WeakPolarHBondContact O-CB 3.16Å; C275-V335 PolarHBondContact O-N 2.88Å
276	V	88.2	Confident	88.2	Confident	47 Å²	47	23.9 Å²	23.9	29%	0.285	16%	0.155	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	125.8	173.4	-178.2	0	0	0	0	110.1	T278 E334	V276-T278 PolarHBondContact O-N 3.4Å; V276-E334 HydrophobicContact CG2-CB 4.47Å; V276-E334 HydrophobicContact CG2-CG 4.37Å
277	M	91.1	Very high	87.5	Confident	7 Å²	7	26.8 Å²	26.8	3%	0.034	17%	0.17	C	C	.	.			trans	-65.8	126	174.3	-64.5	-55.8	-59.2	0	0	109.9	I268 I270 A281 L290 L329 Y330 G332 T333 V335	I268-M277 HydrophobicContact CD1-CE 3.86Å; I270-M277 HydrophobicContact CD1-CE 4.21Å; I270-M277 HydrophobicContact CD1-SD 3.99Å; M277-A281 HydrophobicContact CE-CB 4.11Å; M277-L290 HydrophobicContact CG-CD2 4.19Å; M277-L329 HydrophobicContact CE-CB 3.81Å; M277-L329 HydrophobicContact CE-CD1 3.88Å; M277-L329 HydrophobicContact CG-CB 4.3Å; M277-L329 HydrophobicContact SD-CB 4.35Å; M277-L329 HydrophobicContact SD-CD1 4.04Å; M277-Y330 VanDerWaalsContact CB-O 3.27Å; M277-Y330 WeakPolarHBondContact CB-O 3.48Å; M277-G332 PolarHBondContact O-N 3.47Å; M277-T333 WeakPolarHBondContact CB-O 3.31Å; M277-T333 WeakPolarHBondContact CG-OG1 3.34Å; M277-T333 PolarHBondContact N-O 3.27Å; M277-V335 HydrophobicContact CG-CG2 3.92Å; M277-V335 HydrophobicContact SD-CG2 3.74Å
278	T	89.4	Confident	87	Confident	25 Å²	25	26.6 Å²	26.6	15%	0.153	17%	0.169	C	C	.	.			trans	-103.4	-11.5	178.4	52.2	0	0	0	0	113	S259 V276 S331	S259-T278 WeakPolarHBondContact CB-OG1 3.43Å; V276-T278 PolarHBondContact O-N 3.4Å; T278-S331 VanDerWaalsContact C-OG 3.23Å; T278-S331 PolarHBondContact O-OG 3.33Å
279	C	92.3	Very high	86.3	Confident	1 Å²	1	26.9 Å²	26.9	1%	0.007	17%	0.171	C	C	.	.	S	Bend	trans	-134.7	167	178.9	55	0	0	0	0	109.9	L262 S331 V350 R352 T353	L262-C279 HydrophobicContact CD1-CB 4.5Å; C279-S331 WeakPolarHBondContact O-CA 3.33Å; C279-S331 PolarHBondContact O-N 3.42Å; C279-V350 HydrophobicContact CB-CG1 3.93Å; C279-R352 WeakPolarHBondContact CB-O 3.39Å; C279-T353 HydrophobicContact CB-CG2 4.43Å
280	D	93.6	Very high	85.9	Confident	1 Å²	1	25.9 Å²	25.9	1%	0.005	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	132.2	166.5	-63	-14.1	0	0	0	107.7	L329 S331 V350 T351 R352 T357 Q358	D280-L329 CarbonylContact C-O 3.54Å; D280-L329 WeakPolarHBondContact CA-O 3.25Å; D280-S331 WeakPolarHBondContact OD1-CB 3.24Å; D280-S331 PolarHBondContact OD1-N 3.12Å; D280-V350 CarbonylContact O-C 3.57Å; D280-T351 PolarHBondContact O-N 2.91Å; D280-T351 PolarHBondContact O-OG1 3.34Å; D280-R352 HydrophobicContact CB-CB 4.18Å; D280-R352 PolarHBondContact N-O 3.41Å; D280-R352 VanDerWaalsContact N-O 3.12Å; D280-R352 PolarHBondContact O-N 2.97Å; D280-T357 WeakPolarHBondContact OD2-CA 3.24Å; D280-Q358 PolarHBondContact OD2-N 3.11Å
281	A	94.1	Very high	85.4	Confident	0 Å²	0	27.3 Å²	27.3	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	155.7	-176.8	0	0	0	0	0	111.7	I268 M277 T328 L329 A348 I349	I268-A281 HydrophobicContact CD1-CB 3.88Å; M277-A281 HydrophobicContact CE-CB 4.11Å; A281-T328 CarbonylContact O-C 3.59Å; A281-T328 WeakPolarHBondContact O-CA 3.28Å; A281-T328 WeakPolarHBondContact O-CG2 3.35Å; A281-L329 PolarHBondContact N-O 3.27Å; A281-L329 PolarHBondContact O-N 3.24Å; A281-A348 HydrophobicContact CB-CB 3.97Å; A281-I349 CarbonylContact C-O 3.54Å; A281-I349 WeakPolarHBondContact CA-O 3.47Å; A281-I349 WeakPolarHBondContact CB-O 3.41Å
282	V	93.3	Very high	85	Confident	0 Å²	0	25.1 Å²	25.1	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	124.4	178.3	174.4	0	0	0	0	109.7	M149 I284 L307 Y319 H327 T328 A348 I349 T351	M149-V282 HydrophobicContact CE-CB 3.72Å; M149-V282 HydrophobicContact CE-CG1 3.87Å; M149-V282 HydrophobicContact CE-CG2 4.01Å; V282-I284 PolarHBondContact O-N 3.27Å; V282-L307 HydrophobicContact CG1-CD1 3.37Å; V282-L307 HydrophobicContact CG1-CD2 4.48Å; V282-L307 HydrophobicContact CG1-CG 3.75Å; V282-Y319 HydrophobicContact CB-CE2 4.41Å; V282-Y319 HydrophobicContact CG1-CD2 4.41Å; V282-Y319 HydrophobicContact CG1-CE2 4.07Å; V282-Y319 HydrophobicContact CG2-CD2 4.26Å; V282-Y319 HydrophobicContact CG2-CE1 4.18Å; V282-Y319 HydrophobicContact CG2-CE2 3.41Å; V282-Y319 VanDerWaalsContact CG2-CE2 3.41Å; V282-Y319 VanDerWaalsContact CG2-OH 3.27Å; V282-Y319 WeakPolarHBondContact CG2-OH 3.33Å; V282-H327 CarbonylContact C-O 3.44Å; V282-H327 WeakPolarHBondContact CA-O 3.35Å; V282-H327 HydrophobicContact CG1-CB 4.5Å; V282-T328 HydrophobicContact CG2-CG2 4.26Å; V282-A348 CarbonylContact O-C 3.48Å; V282-A348 WeakPolarHBondContact O-CA 3.37Å; V282-A348 WeakPolarHBondContact O-CB 3.23Å; V282-I349 PolarHBondContact N-O 2.92Å; V282-I349 PolarHBondContact O-N 2.94Å; V282-T351 HydrophobicContact CB-CG2 4.24Å; V282-T351 HydrophobicContact CG2-CG2 3.46Å; V282-T351 VanDerWaalsContact CG2-CG2 3.46Å
283	L	90.6	Very high	84.4	Confident	0 Å²	0	22.5 Å²	22.5	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72	121.8	-177.5	-163.2	64.9	0	0	0	110.3	G286 C288 A306 L307 H327 L329 V346 A348	L283-G286 WeakPolarHBondContact CD2-O 3.09Å; L283-C288 HydrophobicContact CD2-CB 4.47Å; L283-A306 HydrophobicContact CG-CB 4.36Å; L283-A306 CarbonylContact O-C 3.57Å; L283-A306 WeakPolarHBondContact O-CA 3.33Å; L283-L307 PolarHBondContact O-N 3.07Å; L283-H327 WeakPolarHBondContact CB-O 3.42Å; L283-H327 PolarHBondContact N-O 3.5Å; L283-L329 HydrophobicContact CD1-CD1 4.4Å; L283-V346 HydrophobicContact CD1-CG1 3.75Å; L283-A348 HydrophobicContact CD1-CB 4.21Å
284	I	88.7	Confident	83.9	Confident	18 Å²	18	17.8 Å²	17.8	9%	0.092	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	-23.8	177.8	55.5	166.2	0	0	0	112.1	H150 V267 V282 K347 I349	H150-I284 PolarHBondContact CE1-O 2.96Å; V267-I284 HydrophobicContact CG1-CD1 4.4Å; V282-I284 PolarHBondContact O-N 3.27Å; I284-K347 HydrophobicContact CD1-CB 3.92Å; I284-K347 HydrophobicContact CG1-CB 3.73Å; I284-K347 WeakPolarHBondContact CG1-O 3.48Å; I284-K347 PolarHBondContact N-O 2.99Å; I284-I349 HydrophobicContact CD1-CD1 4.14Å; I284-I349 HydrophobicContact CD1-CG1 4.07Å; I284-I349 HydrophobicContact CG2-CD1 3.86Å; I284-I349 HydrophobicContact CG2-CG1 4.24Å
285	A	84	Confident	83.3	Confident	22 Å²	22	17.3 Å²	17.3	18%	0.182	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	139.9	175.6	0	0	0	0	0	111.5	V346 K347	A285-V346 WeakPolarHBondContact O-CA 3.14Å; A285-V346 WeakPolarHBondContact O-CG1 3.41Å; A285-K347 HydrophobicContact CB-CB 4.15Å; A285-K347 PolarHBondContact N-O 3.44Å; A285-K347 VanDerWaalsContact N-O 3.11Å; A285-K347 PolarHBondContact O-N 2.86Å
286	G	80.6	Confident	82.1	Confident	15 Å²	15	17.5 Å²	17.5	16%	0.155	11%	0.11	C	C	.	.	S	Bend	trans	82.6	-177.4	-178.2	0	0	0	0	0	114.3	L283 A306	L283-G286 WeakPolarHBondContact CD2-O 3.09Å; G286-A306 WeakPolarHBondContact O-CB 3.31Å; G286-A306 PolarHBondContact O-N 3.38Å
287	N	80	Confident	80.4	Confident	60 Å²	60	16.7 Å²	16.7	32%	0.321	11%	0.111	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	147.4	174.7	-60.7	-34.8	0	0	0	109.9	K304 T305 T338 R339	N287-K304 WeakPolarHBondContact CA-O 3.05Å; N287-K304 WeakPolarHBondContact CB-O 3.26Å; N287-T305 WeakPolarHBondContact OD1-CA 3.37Å; N287-T338 CarbonylContact O-C 3.56Å; N287-T338 WeakPolarHBondContact O-CA 3.13Å; N287-R339 HydrophobicContact CB-CB 4.26Å; N287-R339 PolarHBondContact N-O 3.31Å; N287-R339 PolarHBondContact O-N 3.2Å
288	C	83.4	Confident	78.7	Confident	0 Å²	0	21.4 Å²	21.4	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	136	-179.5	-64	0	0	0	0	110.2	L283 L290 K304 L329 V335	L283-C288 HydrophobicContact CD2-CB 4.47Å; C288-L290 HydrophobicContact CB-CD1 3.75Å; C288-L290 HydrophobicContact CB-CG 4.43Å; C288-K304 PolarHBondContact N-O 2.71Å; C288-K304 PolarHBondContact O-N 3.06Å; C288-L329 HydrophobicContact CB-CD2 4.17Å; C288-V335 HydrophobicContact CB-CG1 4.36Å
289	M	78.6	Confident	76.9	Confident	7 Å²	7	24.3 Å²	24.3	3%	0.034	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	120.8	166.6	-65.3	-61.8	-57.8	0	0	107.9	P301 T303 V335 L336 Q337 T536	M289-P301 HydrophobicContact CE-CB 4.25Å; M289-T303 WeakPolarHBondContact CE-OG1 3.16Å; M289-T303 HydrophobicContact SD-CG2 3.64Å; M289-T303 PolarHBondContact SD-OG1 3.31Å; M289-V335 CarbonylContact O-C 3.58Å; M289-V335 WeakPolarHBondContact O-CA 3.41Å; M289-L336 PolarHBondContact O-N 3.03Å; M289-Q337 HydrophobicContact CB-CB 4.44Å; M289-Q337 PolarHBondContact N-O 2.9Å; M289-T536 HydrophobicContact CE-CG2 3.95Å; M289-T536 HydrophobicContact SD-CG2 4.49Å
290	L	83.3	Confident	75.4	Confident	0 Å²	0	26.7 Å²	26.7	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	142.2	-178.5	-60.3	100	0	0	0	112	M277 C288 E292 P301 V302 K304 L329 T333 E334 V335	M277-L290 HydrophobicContact CG-CD2 4.19Å; C288-L290 HydrophobicContact CB-CD1 3.75Å; C288-L290 HydrophobicContact CB-CG 4.43Å; L290-E292 HydrophobicContact CB-CG 4.13Å; L290-P301 CarbonylContact O-C 3.58Å; L290-P301 WeakPolarHBondContact O-CA 3.41Å; L290-V302 PolarHBondContact N-O 3.23Å; L290-V302 PolarHBondContact O-N 2.85Å; L290-K304 HydrophobicContact CD1-CB 3.84Å; L290-K304 HydrophobicContact CD1-CG 3.27Å; L290-L329 HydrophobicContact CD1-CD2 3.64Å; L290-L329 HydrophobicContact CD2-CB 4.45Å; L290-L329 HydrophobicContact CD2-CD2 3.97Å; L290-L329 HydrophobicContact CG-CD2 4.42Å; L290-T333 WeakPolarHBondContact CD2-OG1 3.4Å; L290-E334 CarbonylContact C-O 3.58Å; L290-E334 VanDerWaalsContact CA-O 3.23Å; L290-E334 WeakPolarHBondContact CA-O 3.37Å; L290-V335 HydrophobicContact CD2-CG2 3.76Å; L290-V335 HydrophobicContact CG-CG2 4.13Å
291	N	80.6	Confident	74.4	Confident	39 Å²	39	27.5 Å²	27.5	21%	0.209	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	103.6	159.1	-178	2	0	0	0	108.5	S293 E334 L336	N291-S293 WeakPolarHBondContact OD1-CB 3.3Å; N291-S293 PolarHBondContact OD1-N 3.13Å; N291-S293 VanDerWaalsContact OD1-N 3.1Å; N291-S293 PolarHBondContact OD1-OG 3.4Å; N291-E334 HydrophobicContact CB-CB 4.28Å; N291-E334 PolarHBondContact N-O 3.23Å; N291-E334 PolarHBondContact O-N 3.1Å; N291-E334 VanDerWaalsContact O-N 3.15Å; N291-L336 HydrophobicContact CB-CD1 4.16Å; N291-L336 HydrophobicContact CB-CD2 4.08Å; N291-L336 HydrophobicContact CB-CG 4.14Å
292	E	79.1	Confident	73.4	Confident	11 Å²	11	29.7 Å²	29.7	5%	0.051	18%	0.184	C	C	.	.			trans	-93	7.7	176.7	-57.3	-161	144.8	0	0	113.2	L290 G294 L295 T296 K304 T333	L290-E292 HydrophobicContact CB-CG 4.13Å; E292-G294 PolarHBondContact O-N 3.21Å; E292-L295 PolarHBondContact O-N 3.27Å; E292-T296 HydrophobicContact CB-CG2 4.17Å; E292-T296 PolarHBondContact O-N 3.27Å; E292-T296 PolarHBondContact O-OG1 3.26Å; E292-K304 WeakPolarHBondContact OE1-CE 3.42Å; E292-K304 IonicContact OE1-NZ 3.11Å; E292-K304 PolarHBondContact OE1-NZ 3.25Å; E292-K304 IonicContact OE2-NZ 3.48Å; E292-K304 PolarHBondContact OE2-NZ 3.07Å; E292-T333 HydrophobicContact CB-CG2 4.13Å; E292-T333 HydrophobicContact CG-CG2 3.8Å
293	S	63	Low	72.6	Confident	41 Å²	41	31 Å²	31	29%	0.287	19%	0.193	S	C	.	.	H	α-helix	trans	-53.7	-31.5	-175.1	60.1	0	0	0	0	114.3	N291 L295 G297 E298	N291-S293 WeakPolarHBondContact OD1-CB 3.3Å; N291-S293 PolarHBondContact OD1-N 3.13Å; N291-S293 VanDerWaalsContact OD1-N 3.1Å; N291-S293 PolarHBondContact OD1-OG 3.4Å; S293-L295 VanDerWaalsContact C-N 3.31Å; S293-L295 PolarHBondContact O-N 2.72Å; S293-G297 WeakPolarHBondContact O-CA 3.45Å; S293-G297 PolarHBondContact O-N 3.42Å; S293-E298 WeakPolarHBondContact CA-O 3.43Å; S293-E298 WeakPolarHBondContact CB-O 3.45Å; S293-E298 PolarHBondContact N-O 3.43Å
294	G	63.2	Low	72.3	Confident	18 Å²	18	31.5 Å²	31.5	19%	0.186	20%	0.195	C	C	.	.	H	α-helix	trans	-60.9	-37.1	174.2	0	0	0	0	0	113.4	E292 E868	E292-G294 PolarHBondContact O-N 3.21Å; G294-E868 VanDerWaalsContact O-OE2 3.07Å
295	L	65.6	Low	71.9	Confident	27 Å²	27	32.4 Å²	32.4	14%	0.141	20%	0.201	C	C	.	.	H	α-helix	trans	-97.4	-43.6	-175.9	-69	176.5	0	0	0	113.8	E292 S293 Y330 T333 K359 A849	E292-L295 PolarHBondContact O-N 3.27Å; S293-L295 VanDerWaalsContact C-N 3.31Å; S293-L295 PolarHBondContact O-N 2.72Å; L295-Y330 HydrophobicContact CD1-CG 4.06Å; L295-T333 HydrophobicContact CD1-CG2 3.46Å; L295-T333 VanDerWaalsContact CD1-CG2 3.46Å; L295-T333 HydrophobicContact CG-CG2 4.22Å; L295-K359 HydrophobicContact CD2-CB 4.24Å; L295-A849 VanDerWaalsContact O-CB 3.27Å; L295-A849 WeakPolarHBondContact O-CB 3.24Å
296	T	60.7	Low	71.9	Confident	29 Å²	29	32.5 Å²	32.5	18%	0.178	20%	0.202	C	C	.	.	H	α-helix	trans	-94.2	-22.8	-176	61.9	0	0	0	0	112	E292 E298 N850	E292-T296 HydrophobicContact CB-CG2 4.17Å; E292-T296 PolarHBondContact O-N 3.27Å; E292-T296 PolarHBondContact O-OG1 3.26Å; T296-E298 PolarHBondContact O-N 3.16Å; T296-E298 PolarHBondContact OG1-N 3.38Å; T296-N850 PolarHBondContact O-N 3.19Å; T296-N850 PolarHBondContact O-ND2 3.01Å; T296-N850 VanDerWaalsContact O-ND2 3.15Å; T296-N850 PolarHBondContact O-OD1 3.27Å
297	G	53.1	Low	71.9	Confident	29 Å²	29	32 Å²	32	30%	0.299	20%	0.196	S	C	.	.			trans	79.3	-6.7	-171.9	0	0	0	0	0	113.1	S293 S299	S293-G297 WeakPolarHBondContact O-CA 3.45Å; S293-G297 PolarHBondContact O-N 3.42Å; G297-S299 PolarHBondContact O-N 3.38Å
298	E	55.6	Low	71.5	Confident	107 Å²	107	32.4 Å²	32.4	50%	0.5	20%	0.202	S	C	.	.			trans	-75.6	116.4	176.2	-62.7	-176.8	171.6	0	0	108.1	S293 T296 M300	S293-E298 WeakPolarHBondContact CA-O 3.43Å; S293-E298 WeakPolarHBondContact CB-O 3.45Å; S293-E298 PolarHBondContact N-O 3.43Å; T296-E298 PolarHBondContact O-N 3.16Å; T296-E298 PolarHBondContact OG1-N 3.38Å; E298-M300 PolarHBondContact O-N 2.91Å; E298-M300 VanDerWaalsContact O-N 3.14Å
299	S	51	Low	70.7	Confident	85 Å²	85	36.2 Å²	36.2	59%	0.594	23%	0.225	S	C	*	.			trans	-70.9	-4.1	-175.5	52.7	0	0	0	0	114	G297	G297-S299 PolarHBondContact O-N 3.38Å
300	M	62.5	Low	69.6	Low	52 Å²	52	43.5 Å²	43.5	26%	0.256	26%	0.264	S	S	.	.	S	Bend	trans	-102.9	139.3	-173.4	-63	-60.5	137.2	0	0	111.6	E298 V543 G544 P546 L549	E298-M300 PolarHBondContact O-N 2.91Å; E298-M300 VanDerWaalsContact O-N 3.14Å; M300-V543 HydrophobicContact SD-CG1 4.36Å; M300-G544 WeakPolarHBondContact CB-O 3.45Å; M300-G544 WeakPolarHBondContact CG-O 3.37Å; M300-P546 HydrophobicContact CG-CG 4.14Å; M300-L549 HydrophobicContact SD-CD1 4.17Å
301	P	70.8	Confident	68.3	Low	17 Å²	17	45.7 Å²	45.7	11%	0.11	28%	0.279	C	S	.	.			trans	-64.2	146.8	178.9	-20.3	32.4	0	0	0	113.1	M289 L290 L336 I538 V543	M289-P301 HydrophobicContact CE-CB 4.25Å; L290-P301 CarbonylContact O-C 3.58Å; L290-P301 WeakPolarHBondContact O-CA 3.41Å; P301-L336 HydrophobicContact CB-CD1 3.77Å; P301-L336 HydrophobicContact CG-CD1 3.61Å; P301-I538 HydrophobicContact CG-CD1 4.47Å; P301-V543 HydrophobicContact CG-CG1 3.57Å
302	V	73.4	Confident	67.1	Low	46 Å²	46	48.6 Å²	48.6	28%	0.279	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	135.7	179.1	-179.5	0	0	0	0	110	L290	L290-V302 PolarHBondContact N-O 3.23Å; L290-V302 PolarHBondContact O-N 2.85Å
303	T	76.7	Confident	65.9	Low	29 Å²	29	56 Å²	56	18%	0.178	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	121.4	174.1	-43.3	0	0	0	0	110.8	M289	M289-T303 WeakPolarHBondContact CE-OG1 3.16Å; M289-T303 HydrophobicContact SD-CG2 3.64Å; M289-T303 PolarHBondContact SD-OG1 3.31Å
304	K	83.8	Confident	65.7	Low	10 Å²	10	54.4 Å²	54.4	4%	0.043	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	145.2	169.8	-58.1	-68.4	-179.6	161	0	110.7	N287 C288 L290 E292 A325 K326 L329	N287-K304 WeakPolarHBondContact CA-O 3.05Å; N287-K304 WeakPolarHBondContact CB-O 3.26Å; C288-K304 PolarHBondContact N-O 2.71Å; C288-K304 PolarHBondContact O-N 3.06Å; L290-K304 HydrophobicContact CD1-CB 3.84Å; L290-K304 HydrophobicContact CD1-CG 3.27Å; E292-K304 WeakPolarHBondContact OE1-CE 3.42Å; E292-K304 IonicContact OE1-NZ 3.11Å; E292-K304 PolarHBondContact OE1-NZ 3.25Å; E292-K304 IonicContact OE2-NZ 3.48Å; E292-K304 PolarHBondContact OE2-NZ 3.07Å; K304-A325 PolarHBondContact NZ-O 2.93Å; K304-K326 WeakPolarHBondContact CA-O 3.07Å; K304-K326 WeakPolarHBondContact CB-O 3.26Å; K304-K326 VanDerWaalsContact CD-O 3.28Å; K304-K326 WeakPolarHBondContact CD-O 3.12Å; K304-L329 HydrophobicContact CB-CD2 3.92Å; K304-L329 HydrophobicContact CG-CD2 3.95Å
305	T	80.8	Confident	65.6	Low	36 Å²	36	60.6 Å²	60.6	22%	0.221	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	151.8	-175.9	55.5	0	0	0	0	111	N287 K326 H327	N287-T305 WeakPolarHBondContact OD1-CA 3.37Å; T305-K326 PolarHBondContact N-O 2.91Å; T305-K326 VanDerWaalsContact N-O 3.15Å; T305-H327 WeakPolarHBondContact O-CA 3.04Å; T305-H327 PolarHBondContact O-ND1 2.96Å; T305-H327 PolarHBondContact OG1-CE1 3.32Å; T305-H327 PolarHBondContact OG1-ND1 3.23Å
306	A	83.3	Confident	65.6	Low	25 Å²	25	67 Å²	67	21%	0.207	38%	0.378	C	S	.	.	P	Polyproline II helix	trans	-61	151.4	175.8	0	0	0	0	0	112.5	L283 G286 H327	L283-A306 HydrophobicContact CG-CB 4.36Å; L283-A306 CarbonylContact O-C 3.57Å; L283-A306 WeakPolarHBondContact O-CA 3.33Å; G286-A306 WeakPolarHBondContact O-CB 3.31Å; G286-A306 PolarHBondContact O-N 3.38Å; A306-H327 PolarHBondContact O-CE1 2.95Å; A306-H327 PolarHBondContact O-ND1 2.7Å; A306-H327 VanDerWaalsContact O-ND1 3.15Å
307	L	80.9	Confident	66.3	Low	3 Å²	3	69.5 Å²	69.5	2%	0.016	39%	0.388	C	S	.	.	P	Polyproline II helix	trans	-54.8	134.3	172.5	-82.1	173.7	0	0	0	110.6	V146 M149 H150 V282 L283 V309 H324 H327	V146-L307 HydrophobicContact CG1-CB 4.22Å; V146-L307 HydrophobicContact CG1-CD1 4.28Å; V146-L307 HydrophobicContact CG1-CD2 4.48Å; V146-L307 HydrophobicContact CG2-CD2 4.46Å; M149-L307 HydrophobicContact CB-CD1 4.42Å; M149-L307 HydrophobicContact SD-CD1 4.03Å; H150-L307 PolarHBondContact CE1-O 2.83Å; H150-L307 WeakPolarHBondContact NE2-CB 3.18Å; H150-L307 PolarHBondContact NE2-O 2.93Å; V282-L307 HydrophobicContact CG1-CD1 3.37Å; V282-L307 HydrophobicContact CG1-CD2 4.48Å; V282-L307 HydrophobicContact CG1-CG 3.75Å; L283-L307 PolarHBondContact O-N 3.07Å; L307-V309 PolarHBondContact O-N 3.21Å; L307-H324 HydrophobicContact CD2-CB 4.44Å; L307-H327 HydrophobicContact CD2-CB 3.8Å; L307-H327 HydrophobicContact CG-CB 3.93Å
308	P	71.7	Confident	67.7	Low	69 Å²	69	71.4 Å²	71.4	45%	0.448	39%	0.391	S	S	.	.	P	Polyproline II helix	trans	-70.6	117.9	-178.6	26.5	-32.4	0	0	0	112.1
309	V	66.2	Low	69	Low	80 Å²	80	66.6 Å²	66.6	49%	0.485	37%	0.368	S	S	.	.			trans	-76.3	-42.6	178.4	-176.4	0	0	0	0	112.3	H150 L307 S311	H150-V309 WeakPolarHBondContact CE1-CG2 3.37Å; H150-V309 WeakPolarHBondContact NE2-CG2 3.43Å; L307-V309 PolarHBondContact O-N 3.21Å; V309-S311 VanDerWaalsContact C-N 3.35Å; V309-S311 PolarHBondContact O-N 3.12Å
310	N	57	Low	70.2	Confident	161 Å²	161	67.2 Å²	67.2	86%	0.861	36%	0.363	S	S	*	.			trans	-87.4	16.1	-160.1	-74.7	-6.2	0	0	0	116.1
311	S	55.3	Low	70.8	Confident	45 Å²	45	66.8 Å²	66.8	32%	0.315	36%	0.36	S	S	.	.			trans	-81.8	132.6	169.7	75.6	0	0	0	0	108.7	V309 Y313 A314	V309-S311 VanDerWaalsContact C-N 3.35Å; V309-S311 PolarHBondContact O-N 3.12Å; S311-Y313 PolarHBondContact O-N 2.98Å; S311-A314 WeakPolarHBondContact O-CB 3.46Å; S311-A314 PolarHBondContact O-N 3.45Å; S311-A314 PolarHBondContact OG-N 3.22Å; S311-A314 VanDerWaalsContact OG-N 3.13Å
312	A	54.5	Low	70.8	Confident	100 Å²	100	73.3 Å²	73.3	83%	0.826	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.2	-16	168.2	0	0	0	0	0	112.6
313	Y	55.3	Low	70.6	Confident	168 Å²	168	76.3 Å²	76.3	66%	0.659	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.4	-10.4	176.9	-58.5	-77.2	0	0	0	115	S311 K315 Q316 M317	S311-Y313 PolarHBondContact O-N 2.98Å; Y313-K315 VanDerWaalsContact C-N 3.26Å; Y313-K315 PolarHBondContact O-N 3.25Å; Y313-Q316 PolarHBondContact O-N 2.88Å; Y313-M317 PolarHBondContact O-N 3.32Å
314	A	58.5	Low	70.8	Confident	6 Å²	6	75.3 Å²	75.3	5%	0.05	39%	0.387	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-32.9	-174	0	0	0	0	0	113.4	H147 S311 Q316	H147-A314 PolarHBondContact N-O 3.46Å; S311-A314 WeakPolarHBondContact O-CB 3.46Å; S311-A314 PolarHBondContact O-N 3.45Å; S311-A314 PolarHBondContact OG-N 3.22Å; S311-A314 VanDerWaalsContact OG-N 3.13Å; A314-Q316 VanDerWaalsContact C-N 3.28Å; A314-Q316 PolarHBondContact O-N 2.91Å
315	K	61.7	Low	70.4	Confident	149 Å²	149	76.3 Å²	76.3	65%	0.648	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.4	-21.3	175.5	-70.7	-173.7	176.8	-175.9	0	114	H147 Y313	H147-K315 HydrophobicContact CB-CG 4.21Å; Y313-K315 VanDerWaalsContact C-N 3.26Å; Y313-K315 PolarHBondContact O-N 3.25Å
316	Q	65.9	Low	70.1	Confident	162 Å²	162	77.6 Å²	77.6	76%	0.757	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.8	-11	-178.8	-65	179.5	-1.9	0	0	112.6	Y313 A314	Y313-Q316 PolarHBondContact O-N 2.88Å; A314-Q316 VanDerWaalsContact C-N 3.28Å; A314-Q316 PolarHBondContact O-N 2.91Å
317	M	74.9	Confident	70.2	Confident	80 Å²	80	77.6 Å²	77.6	39%	0.394	40%	0.395	S	S	.	.	P	Polyproline II helix	trans	-86.9	121.5	-175	-163.5	171.6	-169.2	0	0	110.2	T145 V146 Y313 H324	T145-M317 CarbonylContact C-O 3.57Å; T145-M317 VanDerWaalsContact CA-O 3.3Å; T145-M317 WeakPolarHBondContact CA-O 3.48Å; V146-M317 HydrophobicContact CG2-CB 4.13Å; V146-M317 HydrophobicContact CG2-CG 4.16Å; V146-M317 PolarHBondContact N-O 3.42Å; Y313-M317 PolarHBondContact O-N 3.32Å; M317-H324 VanDerWaalsContact CE-NE2 3.25Å; M317-H324 WeakPolarHBondContact CE-NE2 3.49Å
318	I	81.6	Confident	70.6	Confident	70 Å²	70	77.6 Å²	77.6	36%	0.359	40%	0.395	S	S	.	.	B	Isolated β-bridge	trans	-88.1	133.5	176.1	-65.6	171.7	0	0	0	108.9	I144 M320 H324	I144-I318 CarbonylContact O-C 3.52Å; I144-I318 WeakPolarHBondContact O-CA 3.43Å; I318-M320 HydrophobicContact CG2-CG 4.46Å; I318-M320 PolarHBondContact O-N 3.24Å; I318-H324 PolarHBondContact O-CE1 3.06Å
319	Y	82.6	Confident	71.6	Confident	5 Å²	5	74.3 Å²	74.3	2%	0.02	37%	0.374	C	S	.	.	P	Polyproline II helix	trans	-61.7	125.8	170.8	173.6	-98.7	0	0	0	109.7	D141 I144 M149 V282 H324 T328 T351	D141-Y319 HydrophobicContact CB-CD1 4.47Å; D141-Y319 HydrophobicContact CB-CE1 4.18Å; I144-Y319 PolarHBondContact O-N 3.05Å; M149-Y319 VanDerWaalsContact SD-CB 3.6Å; M149-Y319 HydrophobicContact SD-CD1 4.42Å; M149-Y319 HydrophobicContact SD-CD2 4.04Å; M149-Y319 HydrophobicContact SD-CG 3.76Å; V282-Y319 HydrophobicContact CB-CE2 4.41Å; V282-Y319 HydrophobicContact CG1-CD2 4.41Å; V282-Y319 HydrophobicContact CG1-CE2 4.07Å; V282-Y319 HydrophobicContact CG2-CD2 4.26Å; V282-Y319 HydrophobicContact CG2-CE1 4.18Å; V282-Y319 HydrophobicContact CG2-CE2 3.41Å; V282-Y319 VanDerWaalsContact CG2-CE2 3.41Å; V282-Y319 VanDerWaalsContact CG2-OH 3.27Å; V282-Y319 WeakPolarHBondContact CG2-OH 3.33Å; Y319-H324 HydrophobicContact CD2-CB 3.78Å; Y319-H324 AromaticContact CD2-CG 4Å; Y319-H324 HydrophobicContact CE2-CB 3.58Å; Y319-T328 PolarHBondContact OH-OG1 3.32Å; Y319-T351 HydrophobicContact CE1-CG2 4.49Å
320	M	77.7	Confident	72.8	Confident	99 Å²	99	71.9 Å²	71.9	49%	0.488	36%	0.356	S	S	.	.			trans	-137.4	118.6	174.3	-70.2	-156	121.3	0	0	108	I318 K322 Y323 H324	I318-M320 HydrophobicContact CG2-CG 4.46Å; I318-M320 PolarHBondContact O-N 3.24Å; M320-K322 PolarHBondContact O-N 3.41Å; M320-K322 VanDerWaalsContact O-N 3.17Å; M320-Y323 HydrophobicContact CB-CD2 3.91Å; M320-Y323 PolarHBondContact O-N 3.31Å; M320-Y323 HydrophobicContact SD-CD2 4.12Å; M320-Y323 HydrophobicContact SD-CE2 4.16Å; M320-H324 PolarHBondContact N-ND1 3.13Å; M320-H324 VanDerWaalsContact N-ND1 3.11Å; M320-H324 WeakPolarHBondContact O-CB 3.37Å; M320-H324 PolarHBondContact O-N 2.98Å; M320-H324 PolarHBondContact O-ND1 3.29Å
321	E	75.3	Confident	74.3	Confident	43 Å²	43	64.4 Å²	64.4	20%	0.201	32%	0.317	C	S	.	.	H	α-helix	trans	-48.9	-44.2	-179	-177.5	179.6	-175.5	0	0	112.6	Y323 H324 A325 Y330 R352	E321-Y323 VanDerWaalsContact C-N 3.26Å; E321-Y323 PolarHBondContact O-N 3.49Å; E321-H324 PolarHBondContact O-N 3.21Å; E321-A325 WeakPolarHBondContact O-CA 3.37Å; E321-A325 WeakPolarHBondContact O-CB 3.37Å; E321-A325 PolarHBondContact O-N 2.89Å; E321-Y330 WeakPolarHBondContact OE1-CE1 3.38Å; E321-R352 IonicContact OE1-NH1 3.24Å; E321-R352 IonicContact OE2-CZ 3.82Å; E321-R352 IonicContact OE2-NH1 2.97Å; E321-R352 PolarHBondContact OE2-NH1 3.39Å; E321-R352 IonicContact OE2-NH2 2.82Å; E321-R352 PolarHBondContact OE2-NH2 3.35Å
322	K	68.8	Low	75.6	Confident	153 Å²	153	63.2 Å²	63.2	67%	0.665	31%	0.311	S	S	*	.	H	α-helix	trans	-57.5	-35.2	179.8	-70.5	178.7	179	166.1	0	113.5	D20 M320	D20-K322 IonicContact OD1-NZ 3.88Å; D20-K322 IonicContact OD2-NZ 3.42Å; D20-K322 PolarHBondContact OD2-NZ 3.47Å; M320-K322 PolarHBondContact O-N 3.41Å; M320-K322 VanDerWaalsContact O-N 3.17Å
323	Y	70.1	Confident	77.1	Confident	109 Å²	109	58.5 Å²	58.5	43%	0.427	27%	0.272	S	S	.	.	H	α-helix	trans	-95.9	-24.6	-179.6	-65.1	-61	0	0	0	113.1	M320 E321 R1160	M320-Y323 HydrophobicContact CB-CD2 3.91Å; M320-Y323 PolarHBondContact O-N 3.31Å; M320-Y323 HydrophobicContact SD-CD2 4.12Å; M320-Y323 HydrophobicContact SD-CE2 4.16Å; E321-Y323 VanDerWaalsContact C-N 3.26Å; E321-Y323 PolarHBondContact O-N 3.49Å; Y323-R1160 PolarHBondContact OH-NH2 3.17Å
324	H	80.8	Confident	78.5	Confident	8 Å²	8	54.6 Å²	54.6	4%	0.037	26%	0.26	C	S	.	.	H	α-helix	trans	-110.6	13.1	-173.1	-58.8	92.3	0	0	0	113.5	L307 M317 I318 Y319 M320 E321 K326 H327 T328	L307-H324 HydrophobicContact CD2-CB 4.44Å; M317-H324 VanDerWaalsContact CE-NE2 3.25Å; M317-H324 WeakPolarHBondContact CE-NE2 3.49Å; I318-H324 PolarHBondContact O-CE1 3.06Å; Y319-H324 HydrophobicContact CD2-CB 3.78Å; Y319-H324 AromaticContact CD2-CG 4Å; Y319-H324 HydrophobicContact CE2-CB 3.58Å; M320-H324 PolarHBondContact N-ND1 3.13Å; M320-H324 VanDerWaalsContact N-ND1 3.11Å; M320-H324 WeakPolarHBondContact O-CB 3.37Å; M320-H324 PolarHBondContact O-N 2.98Å; M320-H324 PolarHBondContact O-ND1 3.29Å; E321-H324 PolarHBondContact O-N 3.21Å; H324-K326 PolarHBondContact O-N 3Å; H324-H327 WeakPolarHBondContact O-CA 3.43Å; H324-H327 WeakPolarHBondContact O-CB 3.49Å; H324-H327 PolarHBondContact O-N 3.47Å; H324-T328 PolarHBondContact O-N 2.96Å; H324-T328 PolarHBondContact O-OG1 2.96Å; H324-T328 VanDerWaalsContact O-OG1 3.13Å
325	A	76.5	Confident	79.9	Confident	31 Å²	31	54.3 Å²	54.3	26%	0.256	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.6	-21.7	177.5	0	0	0	0	0	114.6	K304 E321 H327 T328 Y330	K304-A325 PolarHBondContact NZ-O 2.93Å; E321-A325 WeakPolarHBondContact O-CA 3.37Å; E321-A325 WeakPolarHBondContact O-CB 3.37Å; E321-A325 PolarHBondContact O-N 2.89Å; A325-H327 VanDerWaalsContact C-N 3.31Å; A325-T328 PolarHBondContact O-N 3.03Å; A325-Y330 VanDerWaalsContact CB-OH 3.31Å; A325-Y330 WeakPolarHBondContact CB-OH 3.48Å
326	K	74.5	Confident	80.9	Confident	63 Å²	63	49.6 Å²	49.6	27%	0.274	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74	-19.9	174.4	-63.9	-174.7	173.4	-166.6	0	114.9	K304 T305 H324 F595 S596	K304-K326 WeakPolarHBondContact CA-O 3.07Å; K304-K326 WeakPolarHBondContact CB-O 3.26Å; K304-K326 VanDerWaalsContact CD-O 3.28Å; K304-K326 WeakPolarHBondContact CD-O 3.12Å; T305-K326 PolarHBondContact N-O 2.91Å; T305-K326 VanDerWaalsContact N-O 3.15Å; H324-K326 PolarHBondContact O-N 3Å; K326-F595 WeakPolarHBondContact CE-O 3.48Å; K326-F595 PolarHBondContact NZ-O 2.93Å; K326-S596 WeakPolarHBondContact CE-OG 3.19Å; K326-S596 PolarHBondContact NZ-OG 3Å
327	H	85.4	Confident	81.4	Confident	26 Å²	26	44.8 Å²	44.8	12%	0.12	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.6	-5.7	177.2	-49.2	-66.8	0	0	0	110.7	V282 L283 T305 A306 L307 H324 A325	V282-H327 CarbonylContact C-O 3.44Å; V282-H327 WeakPolarHBondContact CA-O 3.35Å; V282-H327 HydrophobicContact CG1-CB 4.5Å; L283-H327 WeakPolarHBondContact CB-O 3.42Å; L283-H327 PolarHBondContact N-O 3.5Å; T305-H327 WeakPolarHBondContact O-CA 3.04Å; T305-H327 PolarHBondContact O-ND1 2.96Å; T305-H327 PolarHBondContact OG1-CE1 3.32Å; T305-H327 PolarHBondContact OG1-ND1 3.23Å; A306-H327 PolarHBondContact O-CE1 2.95Å; A306-H327 PolarHBondContact O-ND1 2.7Å; A306-H327 VanDerWaalsContact O-ND1 3.15Å; L307-H327 HydrophobicContact CD2-CB 3.8Å; L307-H327 HydrophobicContact CG-CB 3.93Å; H324-H327 WeakPolarHBondContact O-CA 3.43Å; H324-H327 WeakPolarHBondContact O-CB 3.49Å; H324-H327 PolarHBondContact O-N 3.47Å; A325-H327 VanDerWaalsContact C-N 3.31Å
328	T	89.5	Confident	81.4	Confident	2 Å²	2	41.4 Å²	41.4	1%	0.012	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	130	-177.7	-46.8	0	0	0	0	110.5	A281 V282 Y319 H324 A325 Y330	A281-T328 CarbonylContact O-C 3.59Å; A281-T328 WeakPolarHBondContact O-CA 3.28Å; A281-T328 WeakPolarHBondContact O-CG2 3.35Å; V282-T328 HydrophobicContact CG2-CG2 4.26Å; Y319-T328 PolarHBondContact OH-OG1 3.32Å; H324-T328 PolarHBondContact O-N 2.96Å; H324-T328 PolarHBondContact O-OG1 2.96Å; H324-T328 VanDerWaalsContact O-OG1 3.13Å; A325-T328 PolarHBondContact O-N 3.03Å; T328-Y330 HydrophobicContact CG2-CD1 4.18Å; T328-Y330 HydrophobicContact CG2-CE1 3.8Å
329	L	91.4	Very high	80.8	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	126.8	170	-48.7	-175.7	0	0	0	107.6	I270 M277 D280 A281 L283 C288 L290 K304 A348	I270-L329 HydrophobicContact CD1-CD1 4.1Å; I270-L329 HydrophobicContact CG1-CD1 4.25Å; M277-L329 HydrophobicContact CE-CB 3.81Å; M277-L329 HydrophobicContact CE-CD1 3.88Å; M277-L329 HydrophobicContact CG-CB 4.3Å; M277-L329 HydrophobicContact SD-CB 4.35Å; M277-L329 HydrophobicContact SD-CD1 4.04Å; D280-L329 CarbonylContact C-O 3.54Å; D280-L329 WeakPolarHBondContact CA-O 3.25Å; A281-L329 PolarHBondContact N-O 3.27Å; A281-L329 PolarHBondContact O-N 3.24Å; L283-L329 HydrophobicContact CD1-CD1 4.4Å; C288-L329 HydrophobicContact CB-CD2 4.17Å; L290-L329 HydrophobicContact CD1-CD2 3.64Å; L290-L329 HydrophobicContact CD2-CB 4.45Å; L290-L329 HydrophobicContact CD2-CD2 3.97Å; L290-L329 HydrophobicContact CG-CD2 4.42Å; K304-L329 HydrophobicContact CB-CD2 3.92Å; K304-L329 HydrophobicContact CG-CD2 3.95Å; L329-A348 HydrophobicContact CD1-CB 4.19Å
330	Y	90.9	Very high	79.9	Confident	29 Å²	29	46.9 Å²	46.9	11%	0.114	22%	0.218	C	C	.	.	P	Polyproline II helix	trans	-102.5	146.6	-174.8	-63.2	-75	0	0	0	112.3	M277 L295 E321 A325 T328 G332 T333 Q358	M277-Y330 VanDerWaalsContact CB-O 3.27Å; M277-Y330 WeakPolarHBondContact CB-O 3.48Å; L295-Y330 HydrophobicContact CD1-CG 4.06Å; E321-Y330 WeakPolarHBondContact OE1-CE1 3.38Å; A325-Y330 VanDerWaalsContact CB-OH 3.31Å; A325-Y330 WeakPolarHBondContact CB-OH 3.48Å; T328-Y330 HydrophobicContact CG2-CD1 4.18Å; T328-Y330 HydrophobicContact CG2-CE1 3.8Å; Y330-G332 PolarHBondContact O-N 3.01Å; Y330-T333 WeakPolarHBondContact O-CB 3.44Å; Y330-T333 WeakPolarHBondContact O-CG2 3.48Å; Y330-T333 PolarHBondContact O-N 3.12Å; Y330-T333 PolarHBondContact O-OG1 2.83Å; Y330-Q358 HydrophobicContact CD1-CB 3.91Å; Y330-Q358 HydrophobicContact CD1-CG 4.3Å
331	S	88.8	Confident	79	Confident	5 Å²	5	48.5 Å²	48.5	4%	0.035	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	134.5	176.1	-176	0	0	0	0	111.4	T278 C279 D280 K359	T278-S331 VanDerWaalsContact C-OG 3.23Å; T278-S331 PolarHBondContact O-OG 3.33Å; C279-S331 WeakPolarHBondContact O-CA 3.33Å; C279-S331 PolarHBondContact O-N 3.42Å; D280-S331 WeakPolarHBondContact OD1-CB 3.24Å; D280-S331 PolarHBondContact OD1-N 3.12Å; S331-K359 WeakPolarHBondContact O-CB 3.49Å
332	G	82.4	Confident	78	Confident	19 Å²	19	52.1 Å²	52.1	20%	0.196	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	90.1	-10.9	-177	0	0	0	0	0	115.3	M277 Y330	M277-G332 PolarHBondContact O-N 3.47Å; Y330-G332 PolarHBondContact O-N 3.01Å
333	T	86.2	Confident	77.6	Confident	1 Å²	1	49.7 Å²	49.7	1%	0.006	26%	0.255	C	S	.	.			trans	-75.8	147.9	172.2	63.2	0	0	0	0	110.4	M277 L290 E292 L295 Y330	M277-T333 WeakPolarHBondContact CB-O 3.31Å; M277-T333 WeakPolarHBondContact CG-OG1 3.34Å; M277-T333 PolarHBondContact N-O 3.27Å; L290-T333 WeakPolarHBondContact CD2-OG1 3.4Å; E292-T333 HydrophobicContact CB-CG2 4.13Å; E292-T333 HydrophobicContact CG-CG2 3.8Å; L295-T333 HydrophobicContact CD1-CG2 3.46Å; L295-T333 VanDerWaalsContact CD1-CG2 3.46Å; L295-T333 HydrophobicContact CG-CG2 4.22Å; Y330-T333 WeakPolarHBondContact O-CB 3.44Å; Y330-T333 WeakPolarHBondContact O-CG2 3.48Å; Y330-T333 PolarHBondContact O-N 3.12Å; Y330-T333 PolarHBondContact O-OG1 2.83Å
334	E	86.1	Confident	77.6	Confident	87 Å²	87	49.6 Å²	49.6	41%	0.407	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	116.9	177	-179.5	179.4	-159.6	0	0	109.2	C275 V276 L290 N291 L336	C275-E334 CarbonylContact O-C 3.47Å; V276-E334 HydrophobicContact CG2-CB 4.47Å; V276-E334 HydrophobicContact CG2-CG 4.37Å; L290-E334 CarbonylContact C-O 3.58Å; L290-E334 VanDerWaalsContact CA-O 3.23Å; L290-E334 WeakPolarHBondContact CA-O 3.37Å; N291-E334 HydrophobicContact CB-CB 4.28Å; N291-E334 PolarHBondContact N-O 3.23Å; N291-E334 PolarHBondContact O-N 3.1Å; N291-E334 VanDerWaalsContact O-N 3.15Å; E334-L336 HydrophobicContact CG-CD2 4.2Å; E334-L336 PolarHBondContact O-N 3.15Å
335	V	87.2	Confident	77.7	Confident	0 Å²	0	53.7 Å²	53.7	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	111.8	167.4	-177.5	0	0	0	0	106.8	I270 G274 C275 M277 C288 M289 L290 T338	I270-V335 HydrophobicContact CG2-CB 4.46Å; I270-V335 HydrophobicContact CG2-CG1 3.96Å; I270-V335 HydrophobicContact CG2-CG2 4.16Å; G274-V335 CarbonylContact C-O 3.29Å; G274-V335 WeakPolarHBondContact CA-O 3.17Å; C275-V335 PolarHBondContact N-O 3.23Å; C275-V335 WeakPolarHBondContact O-CB 3.16Å; C275-V335 PolarHBondContact O-N 2.88Å; M277-V335 HydrophobicContact CG-CG2 3.92Å; M277-V335 HydrophobicContact SD-CG2 3.74Å; C288-V335 HydrophobicContact CB-CG1 4.36Å; M289-V335 CarbonylContact O-C 3.58Å; M289-V335 WeakPolarHBondContact O-CA 3.41Å; L290-V335 HydrophobicContact CD2-CG2 3.76Å; L290-V335 HydrophobicContact CG-CG2 4.13Å; V335-T338 HydrophobicContact CG1-CG2 4.07Å
336	L	81.8	Confident	78.2	Confident	49 Å²	49	52.4 Å²	52.4	26%	0.257	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	-44.6	177.6	-59.6	174.8	0	0	0	110.4	M289 N291 P301 E334 I538	M289-L336 PolarHBondContact O-N 3.03Å; N291-L336 HydrophobicContact CB-CD1 4.16Å; N291-L336 HydrophobicContact CB-CD2 4.08Å; N291-L336 HydrophobicContact CB-CG 4.14Å; P301-L336 HydrophobicContact CB-CD1 3.77Å; P301-L336 HydrophobicContact CG-CD1 3.61Å; E334-L336 HydrophobicContact CG-CD2 4.2Å; E334-L336 PolarHBondContact O-N 3.15Å; L336-I538 HydrophobicContact CD1-CD1 3.72Å
337	Q	76.5	Confident	79	Confident	62 Å²	62	52.7 Å²	52.7	29%	0.29	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156	146	-175.7	-167.7	-177	23.7	0	0	110.8	M289	M289-Q337 HydrophobicContact CB-CB 4.44Å; M289-Q337 PolarHBondContact N-O 2.9Å
338	T	76.4	Confident	79.4	Confident	8 Å²	8	51.4 Å²	51.4	5%	0.049	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	143.6	167.8	65.1	0	0	0	0	111.8	I270 P271 N272 N287 V335 V346	I270-T338 HydrophobicContact CB-CG2 4.15Å; I270-T338 HydrophobicContact CG2-CG2 3.56Å; P271-T338 WeakPolarHBondContact O-CG2 3.3Å; N272-T338 WeakPolarHBondContact CA-OG1 3.37Å; N287-T338 CarbonylContact O-C 3.56Å; N287-T338 WeakPolarHBondContact O-CA 3.13Å; V335-T338 HydrophobicContact CG1-CG2 4.07Å; T338-V346 HydrophobicContact CG2-CG1 4.33Å; T338-V346 HydrophobicContact CG2-CG2 4.4Å
339	R	68.7	Low	79.6	Confident	76 Å²	76	51.3 Å²	51.3	29%	0.287	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	127	167.8	-59.4	179.5	176.2	-176	-4.2	108.9	N287 T536 E561	N287-R339 HydrophobicContact CB-CB 4.26Å; N287-R339 PolarHBondContact N-O 3.31Å; N287-R339 PolarHBondContact O-N 3.2Å; R339-T536 VanDerWaalsContact NH2-CG2 3.33Å; R339-E561 IonicContact NH2-OE1 3.44Å
340	Y	64.1	Low	79.8	Confident	114 Å²	114	51.3 Å²	51.3	45%	0.447	26%	0.264	S	S	.	.			trans	-143.1	160.1	-174.7	63.4	-81	0	0	0	112.2	N272 V346	N272-Y340 HydrophobicContact CB-CE1 4.21Å; Y340-V346 HydrophobicContact CG-CG2 4.43Å
341	Y	57.9	Low	79.9	Confident	134 Å²	134	50.1 Å²	50.1	53%	0.525	26%	0.259	S	S	.	.			trans	-80.2	138.9	167.4	-61.6	-77	0	0	0	108.6	A343 Q344	Y341-A343 PolarHBondContact O-N 2.76Å; Y341-Q344 PolarHBondContact O-N 3.17Å
342	P	54.4	Low	80.1	Confident	118 Å²	118	51.6 Å²	51.6	77%	0.766	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.3	-22.7	-174.4	-28.5	33.7	0	0	0	115.9
343	A	59.4	Low	80.6	Confident	103 Å²	103	51.2 Å²	51.2	85%	0.851	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.4	2.9	179.5	0	0	0	0	0	115.2	Y341	Y341-A343 PolarHBondContact O-N 2.76Å
344	Q	71.6	Confident	80.8	Confident	106 Å²	106	51.4 Å²	51.4	50%	0.495	26%	0.261	S	S	.	.			trans	-126.6	128.7	-174.7	-68.8	-172.6	-13.8	0	0	112.7	Y341	Y341-Q344 PolarHBondContact O-N 3.17Å
345	L	82.8	Confident	80.8	Confident	94 Å²	94	48.5 Å²	48.5	49%	0.492	25%	0.247	S	C	.	.			trans	-71.1	142.2	168.7	-63.2	174	0	0	0	110.3	V254 V269 K347	V254-L345 HydrophobicContact CG2-CD1 4.1Å; V269-L345 HydrophobicContact CG1-CB 4.24Å; V269-L345 HydrophobicContact CG1-CD2 4.28Å; V269-L345 HydrophobicContact CG2-CD1 4.41Å; L345-K347 HydrophobicContact CB-CG 4.37Å; L345-K347 PolarHBondContact O-N 3.02Å
346	V	87.4	Confident	80.9	Confident	4 Å²	4	49.7 Å²	49.7	2%	0.024	25%	0.253	C	S	.	.			trans	-77.1	115.4	170.9	-177.3	0	0	0	0	108.4	V269 I270 L283 A285 T338 Y340	V269-V346 WeakPolarHBondContact CA-O 3.4Å; I270-V346 HydrophobicContact CB-CB 4.28Å; I270-V346 HydrophobicContact CB-CG1 3.94Å; I270-V346 HydrophobicContact CG1-CG1 4.16Å; I270-V346 PolarHBondContact N-O 3.19Å; L283-V346 HydrophobicContact CD1-CG1 3.75Å; A285-V346 WeakPolarHBondContact O-CA 3.14Å; A285-V346 WeakPolarHBondContact O-CG1 3.41Å; T338-V346 HydrophobicContact CG2-CG1 4.33Å; T338-V346 HydrophobicContact CG2-CG2 4.4Å; Y340-V346 HydrophobicContact CG-CG2 4.43Å
347	K	91.5	Very high	81.3	Confident	69 Å²	69	47.3 Å²	47.3	30%	0.3	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	138.1	-172.8	-62.7	-178.9	-174.9	-176	0	110.9	I249 V267 I268 I284 A285 L345	I249-K347 HydrophobicContact CD1-CD 3.97Å; I249-K347 HydrophobicContact CD1-CG 4.43Å; V267-K347 HydrophobicContact CG1-CB 4.26Å; V267-K347 HydrophobicContact CG1-CD 4.41Å; I268-K347 WeakPolarHBondContact O-CA 3.31Å; I284-K347 HydrophobicContact CD1-CB 3.92Å; I284-K347 HydrophobicContact CG1-CB 3.73Å; I284-K347 WeakPolarHBondContact CG1-O 3.48Å; I284-K347 PolarHBondContact N-O 2.99Å; A285-K347 HydrophobicContact CB-CB 4.15Å; A285-K347 PolarHBondContact N-O 3.44Å; A285-K347 VanDerWaalsContact N-O 3.11Å; A285-K347 PolarHBondContact O-N 2.86Å; L345-K347 HydrophobicContact CB-CG 4.37Å; L345-K347 PolarHBondContact O-N 3.02Å
348	A	93.2	Very high	81.6	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	150.5	172	0	0	0	0	0	111.2	V267 I268 A281 V282 L283 L329	V267-A348 CarbonylContact C-O 3.58Å; V267-A348 WeakPolarHBondContact CA-O 3.38Å; I268-A348 HydrophobicContact CD1-CB 4.31Å; I268-A348 HydrophobicContact CG1-CB 3.96Å; I268-A348 VanDerWaalsContact CG1-O 3.24Å; I268-A348 WeakPolarHBondContact CG1-O 3.36Å; I268-A348 PolarHBondContact N-O 3.41Å; I268-A348 PolarHBondContact O-N 2.93Å; A281-A348 HydrophobicContact CB-CB 3.97Å; V282-A348 CarbonylContact O-C 3.48Å; V282-A348 WeakPolarHBondContact O-CA 3.37Å; V282-A348 WeakPolarHBondContact O-CB 3.23Å; L283-A348 HydrophobicContact CD1-CB 4.21Å; L329-A348 HydrophobicContact CD1-CB 4.19Å
349	I	94.2	Very high	81.8	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	126	177.6	-65.4	171.1	0	0	0	109.3	Y140 M149 H152 D266 V267 A281 V282 I284 T351	Y140-I349 HydrophobicContact CD1-CG2 3.78Å; Y140-I349 HydrophobicContact CE1-CG2 4.09Å; M149-I349 HydrophobicContact CB-CD1 4.16Å; M149-I349 WeakPolarHBondContact O-CD1 3.44Å; H152-I349 HydrophobicContact CB-CD1 3.86Å; D266-I349 WeakPolarHBondContact O-CA 3.48Å; V267-I349 HydrophobicContact CG2-CG1 4.05Å; A281-I349 CarbonylContact C-O 3.54Å; A281-I349 WeakPolarHBondContact CA-O 3.47Å; A281-I349 WeakPolarHBondContact CB-O 3.41Å; V282-I349 PolarHBondContact N-O 2.92Å; V282-I349 PolarHBondContact O-N 2.94Å; I284-I349 HydrophobicContact CD1-CD1 4.14Å; I284-I349 HydrophobicContact CD1-CG1 4.07Å; I284-I349 HydrophobicContact CG2-CD1 3.86Å; I284-I349 HydrophobicContact CG2-CG1 4.24Å; I349-T351 PolarHBondContact O-N 3.12Å
350	V	94.7	Very high	82.5	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	119	175.7	179.5	0	0	0	0	109.5	G265 D266 I268 C279 D280 T353	G265-V350 PolarHBondContact N-O 3.06Å; D266-V350 HydrophobicContact CB-CB 4.38Å; D266-V350 HydrophobicContact CB-CG2 4.05Å; D266-V350 WeakPolarHBondContact O-CG2 3.34Å; D266-V350 PolarHBondContact O-N 3.23Å; I268-V350 HydrophobicContact CD1-CG2 4.38Å; I268-V350 HydrophobicContact CG1-CG2 4.36Å; I268-V350 HydrophobicContact CG2-CG2 3.76Å; C279-V350 HydrophobicContact CB-CG1 3.93Å; D280-V350 CarbonylContact O-C 3.57Å; V350-T353 HydrophobicContact CG1-CG2 3.57Å
351	T	92.6	Very high	83.2	Confident	3 Å²	3	41.2 Å²	41.2	2%	0.018	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	-45.6	177.2	54.9	0	0	0	0	111.4	G139 Y140 M149 D280 V282 Y319 I349	G139-T351 CarbonylContact C-O 3.51Å; G139-T351 WeakPolarHBondContact CA-O 3.2Å; Y140-T351 PolarHBondContact N-O 3.22Å; Y140-T351 WeakPolarHBondContact O-CG2 3.46Å; M149-T351 HydrophobicContact CE-CG2 4.34Å; D280-T351 PolarHBondContact O-N 2.91Å; D280-T351 PolarHBondContact O-OG1 3.34Å; V282-T351 HydrophobicContact CB-CG2 4.24Å; V282-T351 HydrophobicContact CG2-CG2 3.46Å; V282-T351 VanDerWaalsContact CG2-CG2 3.46Å; Y319-T351 HydrophobicContact CE1-CG2 4.49Å; I349-T351 PolarHBondContact O-N 3.12Å
352	R	92.7	Very high	83.9	Confident	36 Å²	36	36.4 Å²	36.4	14%	0.136	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	149.4	-177.8	-54.7	-173	-173.7	137.5	0.6	111.5	D141 C279 D280 E321 N356 T357	D141-R352 IonicContact OD2-CZ 2.93Å; D141-R352 IonicContact OD2-NE 3.79Å; D141-R352 PolarHBondContact OD2-NE 2.83Å; D141-R352 IonicContact OD2-NH2 3.6Å; D141-R352 PolarHBondContact OD2-NH2 3.49Å; C279-R352 WeakPolarHBondContact CB-O 3.39Å; D280-R352 HydrophobicContact CB-CB 4.18Å; D280-R352 PolarHBondContact N-O 3.41Å; D280-R352 VanDerWaalsContact N-O 3.12Å; D280-R352 PolarHBondContact O-N 2.97Å; E321-R352 IonicContact OE1-NH1 3.24Å; E321-R352 IonicContact OE2-CZ 3.82Å; E321-R352 IonicContact OE2-NH1 2.97Å; E321-R352 PolarHBondContact OE2-NH1 3.39Å; E321-R352 IonicContact OE2-NH2 2.82Å; E321-R352 PolarHBondContact OE2-NH2 3.35Å; R352-N356 HydrophobicContact CB-CB 4.37Å; R352-N356 WeakPolarHBondContact CD-O 3.42Å; R352-T357 HydrophobicContact CB-CG2 4.33Å; R352-T357 VanDerWaalsContact O-CG2 3.29Å; R352-T357 WeakPolarHBondContact O-CG2 3.48Å
353	T	93.4	Very high	85	Confident	11 Å²	11	31.2 Å²	31.2	7%	0.067	17%	0.168	C	C	.	.			trans	-130.9	155.4	-179.4	57.5	0	0	0	0	112	N170 P264 C279 V350 F355 N356	N170-T353 HydrophobicContact CB-CG2 4.2Å; N170-T353 WeakPolarHBondContact OD1-CA 3.43Å; N170-T353 VanDerWaalsContact OD1-CB 3.32Å; N170-T353 WeakPolarHBondContact OD1-CB 3.45Å; P264-T353 HydrophobicContact CG-CG2 4.18Å; C279-T353 HydrophobicContact CB-CG2 4.43Å; V350-T353 HydrophobicContact CG1-CG2 3.57Å; T353-F355 PolarHBondContact O-N 3.13Å; T353-N356 WeakPolarHBondContact O-CB 3.38Å; T353-N356 PolarHBondContact O-N 2.74Å; T353-N356 VanDerWaalsContact O-N 3.16Å
354	G	89.5	Confident	85.9	Confident	6 Å²	6	27.3 Å²	27.3	6%	0.062	13%	0.131	C	C	.	.	G	3₁₀ helix	trans	55	-128.8	175.9	0	0	0	0	0	113.3	N170 N356 T357	N170-G354 PolarHBondContact OD1-N 3.22Å; G354-N356 PolarHBondContact O-N 3.17Å; G354-T357 PolarHBondContact O-N 2.95Å; G354-T357 PolarHBondContact O-OG1 3Å
355	F	87.9	Confident	85.8	Confident	26 Å²	26	24.6 Å²	24.6	11%	0.114	12%	0.124	C	C	.	.	G	3₁₀ helix	trans	-70.6	-9.1	-178	-75.9	-68.8	0	0	0	115.3	K122 I172 T353 G360 R364 M367	K122-F355 HydrophobicContact CB-CB 4.29Å; K122-F355 HydrophobicContact CB-CD1 3.91Å; K122-F355 HydrophobicContact CB-CD2 3.77Å; K122-F355 HydrophobicContact CB-CE1 4.12Å; K122-F355 HydrophobicContact CB-CE2 4.01Å; K122-F355 HydrophobicContact CB-CG 3.7Å; K122-F355 HydrophobicContact CB-CZ 4.17Å; K122-F355 HydrophobicContact CD-CD2 4.43Å; K122-F355 HydrophobicContact CD-CE2 3.9Å; K122-F355 HydrophobicContact CD-CZ 4.06Å; K122-F355 HydrophobicContact CG-CD1 4.44Å; K122-F355 HydrophobicContact CG-CD2 4.37Å; K122-F355 HydrophobicContact CG-CE1 4.15Å; K122-F355 HydrophobicContact CG-CE2 4.09Å; K122-F355 HydrophobicContact CG-CZ 3.97Å; I172-F355 HydrophobicContact CB-CE1 4.44Å; I172-F355 HydrophobicContact CG2-CD1 4Å; I172-F355 HydrophobicContact CG2-CE1 3.42Å; I172-F355 VanDerWaalsContact CG2-CE1 3.42Å; I172-F355 HydrophobicContact CG2-CZ 3.79Å; T353-F355 PolarHBondContact O-N 3.13Å; F355-G360 CarbonylContact O-C 3.51Å; F355-R364 HydrophobicContact CD1-CG 3.79Å; F355-R364 WeakPolarHBondContact O-CD 3.41Å; F355-M367 HydrophobicContact CD1-CE 4.28Å; F355-M367 HydrophobicContact CE1-CE 3.51Å; F355-M367 HydrophobicContact CZ-CE 4.21Å
356	N	88.7	Confident	85	Confident	24 Å²	24	21.4 Å²	21.4	13%	0.128	11%	0.107	C	C	.	.	G	3₁₀ helix	trans	-87.7	-14.7	174.9	-70.8	-9.4	0	0	0	112.3	L137 R352 T353 G354	L137-N356 PolarHBondContact O-ND2 2.99Å; R352-N356 HydrophobicContact CB-CB 4.37Å; R352-N356 WeakPolarHBondContact CD-O 3.42Å; T353-N356 WeakPolarHBondContact O-CB 3.38Å; T353-N356 PolarHBondContact O-N 2.74Å; T353-N356 VanDerWaalsContact O-N 3.16Å; G354-N356 PolarHBondContact O-N 3.17Å
357	T	89.5	Confident	84.4	Confident	0 Å²	0	23.2 Å²	23.2	0%	0	12%	0.116	C	C	.	.	S	Bend	trans	-65.2	162	174.8	59.9	0	0	0	0	112	D280 R352 G354 K359 G360 Q361	D280-T357 WeakPolarHBondContact OD2-CA 3.24Å; R352-T357 HydrophobicContact CB-CG2 4.33Å; R352-T357 VanDerWaalsContact O-CG2 3.29Å; R352-T357 WeakPolarHBondContact O-CG2 3.48Å; G354-T357 PolarHBondContact O-N 2.95Å; G354-T357 PolarHBondContact O-OG1 3Å; T357-K359 VanDerWaalsContact C-N 3.28Å; T357-K359 PolarHBondContact O-N 2.82Å; T357-G360 CarbonylContact O-C 3.27Å; T357-G360 WeakPolarHBondContact O-CA 3.49Å; T357-G360 PolarHBondContact O-N 2.9Å; T357-G360 PolarHBondContact OG1-N 3.34Å; T357-Q361 WeakPolarHBondContact O-CG 3.33Å; T357-Q361 PolarHBondContact O-N 3.41Å
358	Q	82.6	Confident	83.4	Confident	52 Å²	52	23.5 Å²	23.5	24%	0.243	12%	0.115	C	C	.	.	H	α-helix	trans	-56.3	-43.2	175.1	-169.5	64.9	6.1	0	0	111.6	D280 Y330 Q361 L362	D280-Q358 PolarHBondContact OD2-N 3.11Å; Y330-Q358 HydrophobicContact CD1-CB 3.91Å; Y330-Q358 HydrophobicContact CD1-CG 4.3Å; Q358-Q361 PolarHBondContact O-N 2.88Å; Q358-L362 PolarHBondContact O-N 3.17Å
359	K	81.8	Confident	82	Confident	38 Å²	38	26.1 Å²	26.1	17%	0.165	13%	0.132	C	C	.	.	H	α-helix	trans	-63.9	-42.3	171.9	-178.6	170.4	-176.6	169.5	0	112.5	I172 L295 S331 T357 Q361 L362 V363	I172-K359 HydrophobicContact CD1-CD 4.44Å; I172-K359 HydrophobicContact CD1-CG 4.09Å; L295-K359 HydrophobicContact CD2-CB 4.24Å; S331-K359 WeakPolarHBondContact O-CB 3.49Å; T357-K359 VanDerWaalsContact C-N 3.28Å; T357-K359 PolarHBondContact O-N 2.82Å; K359-Q361 VanDerWaalsContact C-N 3.32Å; K359-Q361 PolarHBondContact O-N 3.11Å; K359-L362 WeakPolarHBondContact O-CB 3.43Å; K359-L362 PolarHBondContact O-N 3.35Å; K359-V363 HydrophobicContact CG-CG2 4.46Å; K359-V363 VanDerWaalsContact O-CG2 3.3Å; K359-V363 WeakPolarHBondContact O-CG2 3.43Å; K359-V363 PolarHBondContact O-N 2.88Å
360	G	83	Confident	80.5	Confident	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-59.7	-41	175.6	0	0	0	0	0	112.9	F355 T357 V363 R364	F355-G360 CarbonylContact O-C 3.51Å; T357-G360 CarbonylContact O-C 3.27Å; T357-G360 WeakPolarHBondContact O-CA 3.49Å; T357-G360 PolarHBondContact O-N 2.9Å; T357-G360 PolarHBondContact OG1-N 3.34Å; G360-V363 PolarHBondContact O-N 3.48Å; G360-R364 WeakPolarHBondContact O-CB 3.31Å; G360-R364 VanDerWaalsContact O-CG 3.3Å; G360-R364 WeakPolarHBondContact O-CG 3.42Å; G360-R364 PolarHBondContact O-N 3.41Å
361	Q	78.3	Confident	78.8	Confident	41 Å²	41	31.1 Å²	31.1	19%	0.192	16%	0.157	C	C	.	.	H	α-helix	trans	-65.7	-44.5	174.1	-73.3	177.5	-6.9	0	0	111.3	E19 T357 Q358 K359 V363 R364 S365	E19-Q361 PolarHBondContact OE1-NE2 3.22Å; T357-Q361 WeakPolarHBondContact O-CG 3.33Å; T357-Q361 PolarHBondContact O-N 3.41Å; Q358-Q361 PolarHBondContact O-N 2.88Å; K359-Q361 VanDerWaalsContact C-N 3.32Å; K359-Q361 PolarHBondContact O-N 3.11Å; Q361-V363 PolarHBondContact O-N 3.22Å; Q361-R364 WeakPolarHBondContact O-CB 3.37Å; Q361-R364 PolarHBondContact O-N 3.38Å; Q361-S365 PolarHBondContact O-N 3.36Å
362	L	73.8	Confident	77.2	Confident	33 Å²	33	33.5 Å²	33.5	17%	0.173	17%	0.171	C	C	.	.	H	α-helix	trans	-56.3	-50.7	172.9	-171	85.3	0	0	0	110.7	Q358 K359 R364 S365 I366 C852 E868	Q358-L362 PolarHBondContact O-N 3.17Å; K359-L362 WeakPolarHBondContact O-CB 3.43Å; K359-L362 PolarHBondContact O-N 3.35Å; L362-R364 VanDerWaalsContact C-N 3.34Å; L362-R364 PolarHBondContact O-N 2.94Å; L362-S365 WeakPolarHBondContact O-CB 3.42Å; L362-S365 PolarHBondContact O-N 3.48Å; L362-S365 VanDerWaalsContact O-N 3.11Å; L362-S365 PolarHBondContact O-OG 2.05Å; L362-I366 HydrophobicContact CG-CD1 4.29Å; L362-I366 WeakPolarHBondContact O-CG1 3.11Å; L362-I366 PolarHBondContact O-N 2.89Å; L362-C852 HydrophobicContact CD1-CB 3.96Å; L362-E868 WeakPolarHBondContact CD2-OE2 3.48Å
363	V	77	Confident	75.4	Confident	10 Å²	10	37 Å²	37	6%	0.061	19%	0.193	C	C	.	.	H	α-helix	trans	-62.2	-39.4	178.4	173.8	0	0	0	0	111.6	I172 I240 K359 G360 Q361 I366 M367	I172-V363 HydrophobicContact CG2-CB 4.36Å; I172-V363 HydrophobicContact CG2-CG1 3.95Å; I240-V363 HydrophobicContact CD1-CG1 3.81Å; I240-V363 HydrophobicContact CD1-CG2 4.21Å; K359-V363 HydrophobicContact CG-CG2 4.46Å; K359-V363 VanDerWaalsContact O-CG2 3.3Å; K359-V363 WeakPolarHBondContact O-CG2 3.43Å; K359-V363 PolarHBondContact O-N 2.88Å; G360-V363 PolarHBondContact O-N 3.48Å; Q361-V363 PolarHBondContact O-N 3.22Å; V363-I366 WeakPolarHBondContact O-CB 3.43Å; V363-I366 PolarHBondContact O-N 2.83Å; V363-M367 HydrophobicContact CG1-CE 4.06Å; V363-M367 HydrophobicContact CG1-CG 4.31Å; V363-M367 HydrophobicContact CG1-SD 4.34Å; V363-M367 WeakPolarHBondContact O-CG 3.1Å; V363-M367 PolarHBondContact O-N 3.47Å
364	R	78	Confident	73.9	Confident	21 Å²	21	37.9 Å²	37.9	8%	0.079	20%	0.196	C	C	.	.	H	α-helix	trans	-62.4	-41.2	173.2	-80.7	171.7	54.5	-125.9	-12.8	112	E19 R121 K122 Q123 F355 G360 Q361 L362 I366 M367 Y368	E19-R364 IonicContact OE1-NH1 2.8Å; E19-R364 IonicContact OE2-NH1 3.88Å; E19-R364 IonicContact OE2-NH2 3.45Å; R121-R364 WeakPolarHBondContact O-CD 3.47Å; R121-R364 PolarHBondContact O-NE 3.27Å; K122-R364 HydrophobicContact CB-CG 4.38Å; Q123-R364 VanDerWaalsContact CD-NH1 3.35Å; Q123-R364 VanDerWaalsContact CG-CZ 3.45Å; Q123-R364 VanDerWaalsContact NE2-NH2 3.17Å; F355-R364 HydrophobicContact CD1-CG 3.79Å; F355-R364 WeakPolarHBondContact O-CD 3.41Å; G360-R364 WeakPolarHBondContact O-CB 3.31Å; G360-R364 VanDerWaalsContact O-CG 3.3Å; G360-R364 WeakPolarHBondContact O-CG 3.42Å; G360-R364 PolarHBondContact O-N 3.41Å; Q361-R364 WeakPolarHBondContact O-CB 3.37Å; Q361-R364 PolarHBondContact O-N 3.38Å; L362-R364 VanDerWaalsContact C-N 3.34Å; L362-R364 PolarHBondContact O-N 2.94Å; R364-I366 PolarHBondContact O-N 2.92Å; R364-M367 HydrophobicContact CG-CE 4.25Å; R364-M367 PolarHBondContact O-N 3.24Å; R364-Y368 PolarHBondContact O-N 2.8Å
365	S	68.4	Low	72.7	Confident	49 Å²	49	39 Å²	39	34%	0.343	20%	0.204	S	C	.	.	H	α-helix	trans	-63	-34.1	175.9	85.7	0	0	0	0	111.5	Q361 L362	Q361-S365 PolarHBondContact O-N 3.36Å; L362-S365 WeakPolarHBondContact O-CB 3.42Å; L362-S365 PolarHBondContact O-N 3.48Å; L362-S365 VanDerWaalsContact O-N 3.11Å; L362-S365 PolarHBondContact O-OG 2.05Å
366	I	67.8	Low	71.9	Confident	26 Å²	26	38 Å²	38	13%	0.133	20%	0.2	C	C	.	.	H	α-helix	trans	-71.9	-43.6	175.2	-64.7	165.8	0	0	0	111.7	L362 V363 R364 I871 A872	L362-I366 HydrophobicContact CG-CD1 4.29Å; L362-I366 WeakPolarHBondContact O-CG1 3.11Å; L362-I366 PolarHBondContact O-N 2.89Å; V363-I366 WeakPolarHBondContact O-CB 3.43Å; V363-I366 PolarHBondContact O-N 2.83Å; R364-I366 PolarHBondContact O-N 2.92Å; I366-I871 HydrophobicContact CG2-CG2 4.45Å; I366-A872 HydrophobicContact CG1-CB 4.33Å
367	M	73	Confident	71	Confident	43 Å²	43	40.8 Å²	40.8	21%	0.212	22%	0.218	C	C	.	.	H	α-helix	trans	-73.6	-34.9	-178.4	-73	-167.7	-60.3	0	0	113.7	K122 I174 F355 V363 R364 P369	K122-M367 HydrophobicContact CG-CE 4.07Å; I174-M367 HydrophobicContact CD1-SD 3.81Å; I174-M367 HydrophobicContact CG1-SD 3.93Å; F355-M367 HydrophobicContact CD1-CE 4.28Å; F355-M367 HydrophobicContact CE1-CE 3.51Å; F355-M367 HydrophobicContact CZ-CE 4.21Å; V363-M367 HydrophobicContact CG1-CE 4.06Å; V363-M367 HydrophobicContact CG1-CG 4.31Å; V363-M367 HydrophobicContact CG1-SD 4.34Å; V363-M367 WeakPolarHBondContact O-CG 3.1Å; V363-M367 PolarHBondContact O-N 3.47Å; R364-M367 HydrophobicContact CG-CE 4.25Å; R364-M367 PolarHBondContact O-N 3.24Å; M367-P369 WeakPolarHBondContact O-CD 3.44Å
368	Y	71.9	Confident	70.2	Confident	75 Å²	75	46.6 Å²	46.6	29%	0.294	24%	0.243	S	C	.	.	S	Bend	trans	-123.8	60.9	-175.8	-54.8	-69.1	0	0	0	111	R121 K122 R364	R121-Y368 HydrophobicContact CB-CD2 3.64Å; R121-Y368 HydrophobicContact CB-CE2 3.92Å; R121-Y368 HydrophobicContact CB-CG 4.05Å; R121-Y368 HydrophobicContact CG-CD1 4.23Å; R121-Y368 HydrophobicContact CG-CD2 3.95Å; R121-Y368 HydrophobicContact CG-CE2 4.46Å; R121-Y368 HydrophobicContact CG-CG 3.81Å; R121-Y368 PolarHBondContact NH1-O 3.46Å; K122-Y368 HydrophobicContact CG-CE2 3.99Å; R364-Y368 PolarHBondContact O-N 2.8Å
369	P	63	Low	70	Confident	55 Å²	55	44.6 Å²	44.6	36%	0.357	23%	0.234	S	C	.	.	P	Polyproline II helix	trans	-63.8	154.8	-178.8	29.3	-35.6	0	0	0	110.9	M367 K856	M367-P369 WeakPolarHBondContact O-CD 3.44Å; P369-K856 HydrophobicContact CB-CD 4.34Å; P369-K856 HydrophobicContact CB-CG 3.94Å
370	K	62.6	Low	69.8	Low	76 Å²	76	44.2 Å²	44.2	33%	0.33	23%	0.234	S	C	.	.	P	Polyproline II helix	trans	-58.6	125.3	167.3	-163.5	177.2	-178.4	176.2	0	107.4	C83 V372 E837	C83-K370 VanDerWaalsContact SG-CE 3.53Å; C83-K370 WeakPolarHBondContact SG-CG 3.35Å; K370-V372 PolarHBondContact O-N 3.39Å; K370-E837 IonicContact NZ-OE1 2.65Å
371	P	60.4	Low	69.5	Low	29 Å²	29	49.6 Å²	49.6	19%	0.188	26%	0.262	C	S	.	.	P	Polyproline II helix	trans	-65.9	125.9	-177.7	26.3	-34.4	0	0	0	110.7	C83 R85 D373	C83-P371 HydrophobicContact CB-CG 4.1Å; R85-P371 VanDerWaalsContact CZ-CG 3.5Å; P371-D373 VanDerWaalsContact C-N 3.31Å; P371-D373 PolarHBondContact O-N 2.88Å
372	V	58.5	Low	69.7	Low	52 Å²	52	53.5 Å²	53.5	32%	0.315	28%	0.275	S	S	.	.			trans	-78.8	87.3	167.9	-171.8	0	0	0	0	107.2	K370 F374 T458 H859	K370-V372 PolarHBondContact O-N 3.39Å; V372-F374 VanDerWaalsContact C-N 3.33Å; V372-F374 PolarHBondContact O-N 2.78Å; V372-T458 HydrophobicContact CG1-CG2 4.26Å; V372-H859 HydrophobicContact CG1-CB 4.32Å; V372-H859 WeakPolarHBondContact CG1-CD2 3.35Å
373	D	54	Low	70	Confident	111 Å²	111	52.6 Å²	52.6	59%	0.594	27%	0.269	S	S	*	.			trans	-71	85.9	-179.5	-84.8	-6.3	0	0	0	110.1	R85 P371 A375	R85-D373 IonicContact CZ-OD1 3.56Å; R85-D373 IonicContact NH2-OD1 2.75Å; R85-D373 PolarHBondContact NH2-OD1 3.22Å; P371-D373 VanDerWaalsContact C-N 3.31Å; P371-D373 PolarHBondContact O-N 2.88Å; D373-A375 PolarHBondContact O-N 3.45Å
374	F	62.7	Low	70.2	Confident	29 Å²	29	54 Å²	54	13%	0.127	28%	0.276	C	S	.	.			trans	-75.2	126.5	-179.6	-165.1	-122.4	0	0	0	111.6	V372 F376 T377 T458 L896 V963	V372-F374 VanDerWaalsContact C-N 3.33Å; V372-F374 PolarHBondContact O-N 2.78Å; F374-F376 HydrophobicContact CD1-CB 3.27Å; F374-F376 HydrophobicContact CD1-CG 4.32Å; F374-F376 HydrophobicContact CE1-CB 3.14Å; F374-F376 AromaticContact CE1-CG 3.98Å; F374-F376 HydrophobicContact CE1-CG 3.98Å; F374-F376 HydrophobicContact CG-CB 4.37Å; F374-F376 HydrophobicContact CZ-CB 4.19Å; F374-F376 PolarHBondContact O-N 3.16Å; F374-F376 VanDerWaalsContact O-N 3.17Å; F374-T377 PolarHBondContact O-N 2.87Å; F374-T458 HydrophobicContact CD2-CG2 3.95Å; F374-T458 HydrophobicContact CE2-CG2 4.12Å; F374-L896 HydrophobicContact CE1-CD1 4.04Å; F374-L896 HydrophobicContact CZ-CD1 4.11Å; F374-L896 HydrophobicContact CZ-CD2 4.29Å; F374-V963 HydrophobicContact CD2-CG1 4.3Å; F374-V963 HydrophobicContact CE2-CG1 3.41Å; F374-V963 VanDerWaalsContact CE2-CG1 3.41Å; F374-V963 HydrophobicContact CZ-CG1 3.57Å
375	A	64.4	Low	70.4	Confident	28 Å²	28	60.2 Å²	60.2	23%	0.231	30%	0.304	C	S	.	.	H	α-helix	trans	-57.7	-32	-176.6	0	0	0	0	0	113.2	D373 T377 K378 D379 R964	D373-A375 PolarHBondContact O-N 3.45Å; A375-T377 PolarHBondContact O-N 3.43Å; A375-K378 PolarHBondContact O-N 2.86Å; A375-D379 VanDerWaalsContact O-CB 3.25Å; A375-D379 WeakPolarHBondContact O-CB 3.33Å; A375-D379 PolarHBondContact O-N 3.33Å; A375-R964 HydrophobicContact CB-CG 4.08Å
376	F	70.5	Confident	71.1	Confident	7 Å²	7	61.2 Å²	61.2	3%	0.031	31%	0.308	C	S	.	.	H	α-helix	trans	-58.2	-50.1	-179.5	-179.2	-89	0	0	0	112.8	F374 K378 D379 L380 M432 L896 F900 I965	F374-F376 HydrophobicContact CD1-CB 3.27Å; F374-F376 HydrophobicContact CD1-CG 4.32Å; F374-F376 HydrophobicContact CE1-CB 3.14Å; F374-F376 AromaticContact CE1-CG 3.98Å; F374-F376 HydrophobicContact CE1-CG 3.98Å; F374-F376 HydrophobicContact CG-CB 4.37Å; F374-F376 HydrophobicContact CZ-CB 4.19Å; F374-F376 PolarHBondContact O-N 3.16Å; F374-F376 VanDerWaalsContact O-N 3.17Å; F376-K378 VanDerWaalsContact C-N 3.32Å; F376-K378 PolarHBondContact O-N 2.85Å; F376-D379 PolarHBondContact O-N 3.35Å; F376-L380 WeakPolarHBondContact O-CB 3.16Å; F376-L380 PolarHBondContact O-N 2.92Å; F376-M432 HydrophobicContact CE1-CE 3.56Å; F376-M432 HydrophobicContact CZ-CE 3.45Å; F376-M432 VanDerWaalsContact CZ-CE 3.45Å; F376-L896 HydrophobicContact CD2-CD1 4.23Å; F376-F900 AromaticContact CD2-CD2 3.87Å; F376-F900 HydrophobicContact CD2-CD2 3.87Å; F376-F900 AromaticContact CD2-CE2 3.33Å; F376-F900 HydrophobicContact CD2-CE2 3.33Å; F376-F900 AromaticContact CD2-CZ 3.86Å; F376-F900 HydrophobicContact CD2-CZ 3.86Å; F376-F900 AromaticContact CE2-CD2 3.51Å; F376-F900 HydrophobicContact CE2-CD2 3.51Å; F376-F900 AromaticContact CE2-CE2 3.49Å; F376-F900 HydrophobicContact CE2-CE2 3.49Å; F376-F900 VanDerWaalsContact CE2-CE2 3.49Å; F376-F900 HydrophobicContact CE2-CG 4.16Å; F376-F900 HydrophobicContact CE2-CZ 4.13Å; F376-I965 HydrophobicContact CD1-CD1 4.09Å; F376-I965 HydrophobicContact CD2-CD1 3.39Å; F376-I965 HydrophobicContact CD2-CG1 3.2Å; F376-I965 HydrophobicContact CE1-CD1 3.91Å; F376-I965 HydrophobicContact CE2-CD1 3.21Å; F376-I965 HydrophobicContact CE2-CG1 3.27Å; F376-I965 HydrophobicContact CG-CD1 3.8Å; F376-I965 HydrophobicContact CG-CG1 3.97Å; F376-I965 HydrophobicContact CZ-CD1 3.44Å; F376-I965 VanDerWaalsContact CZ-CD1 3.44Å; F376-I965 HydrophobicContact CZ-CG1 4.06Å; F376-I965 WeakPolarHBondContact O-CD1 3.47Å
377	T	70	Confident	71.8	Confident	82 Å²	82	60.2 Å²	60.2	50%	0.503	30%	0.303	S	S	.	.	H	α-helix	trans	-67.5	-35.9	-177.3	-50.3	0	0	0	0	111.4	F374 A375 L380 L381	F374-T377 PolarHBondContact O-N 2.87Å; A375-T377 PolarHBondContact O-N 3.43Å; T377-L380 WeakPolarHBondContact O-CB 3.39Å; T377-L380 PolarHBondContact O-N 3.11Å; T377-L381 PolarHBondContact O-N 2.91Å
378	K	73.4	Confident	72.3	Confident	122 Å²	122	59.8 Å²	59.8	53%	0.53	31%	0.306	S	S	.	.	H	α-helix	trans	-67.5	-42.7	174.7	-171.4	178.5	-170.9	174.1	0	111.6	A375 F376 L380 L381 R382	A375-K378 PolarHBondContact O-N 2.86Å; F376-K378 VanDerWaalsContact C-N 3.32Å; F376-K378 PolarHBondContact O-N 2.85Å; K378-L380 VanDerWaalsContact C-N 3.33Å; K378-L381 PolarHBondContact O-N 2.95Å; K378-R382 VanDerWaalsContact CE-NH2 3.34Å; K378-R382 WeakPolarHBondContact O-CG 3.46Å; K378-R382 PolarHBondContact O-N 3.14Å; K378-R382 VanDerWaalsContact O-N 3.11Å
379	D	77.5	Confident	72.9	Confident	9 Å²	9	61.4 Å²	61.4	5%	0.048	32%	0.319	C	S	.	.	H	α-helix	trans	-70.1	-31.7	178	-71.9	-11.6	0	0	0	111.6	A375 F376 R382 F383 R964 I965 L966	A375-D379 VanDerWaalsContact O-CB 3.25Å; A375-D379 WeakPolarHBondContact O-CB 3.33Å; A375-D379 PolarHBondContact O-N 3.33Å; F376-D379 PolarHBondContact O-N 3.35Å; D379-R382 PolarHBondContact O-N 3.37Å; D379-R382 IonicContact OD1-NH1 3Å; D379-R382 PolarHBondContact OD1-NH1 3.31Å; D379-F383 VanDerWaalsContact O-CB 3.24Å; D379-F383 WeakPolarHBondContact O-CB 3.43Å; D379-F383 PolarHBondContact O-N 3.34Å; D379-R964 WeakPolarHBondContact OD2-CB 3.39Å; D379-I965 HydrophobicContact CB-CB 4.08Å; D379-I965 HydrophobicContact CB-CG1 4.5Å; D379-L966 HydrophobicContact CB-CB 4.44Å
380	L	78.2	Confident	74	Confident	31 Å²	31	61.9 Å²	61.9	16%	0.162	32%	0.318	C	S	.	.	H	α-helix	trans	-57.5	-52.6	171.4	172.8	62.4	0	0	0	110.6	F376 T377 K378 R382 F383 L384 L428 F903 I965	F376-L380 WeakPolarHBondContact O-CB 3.16Å; F376-L380 PolarHBondContact O-N 2.92Å; T377-L380 WeakPolarHBondContact O-CB 3.39Å; T377-L380 PolarHBondContact O-N 3.11Å; K378-L380 VanDerWaalsContact C-N 3.33Å; L380-R382 VanDerWaalsContact C-N 3.33Å; L380-R382 PolarHBondContact O-N 3.05Å; L380-F383 PolarHBondContact O-N 2.93Å; L380-L384 WeakPolarHBondContact O-CG 3.46Å; L380-L384 PolarHBondContact O-N 3.09Å; L380-L428 HydrophobicContact CD1-CD2 4.09Å; L380-F903 HydrophobicContact CD1-CD2 3.48Å; L380-F903 VanDerWaalsContact CD1-CD2 3.48Å; L380-F903 HydrophobicContact CD1-CE2 3.15Å; L380-F903 HydrophobicContact CD1-CZ 4.07Å; L380-I965 HydrophobicContact CB-CD1 3.95Å
381	L	75.9	Confident	75.1	Confident	113 Å²	113	58.2 Å²	58.2	59%	0.592	30%	0.303	S	S	*	.	H	α-helix	trans	-62.6	-38.9	178.1	-68.4	174.9	0	0	0	112.4	T377 K378 F383 L384 F385	T377-L381 PolarHBondContact O-N 2.91Å; K378-L381 PolarHBondContact O-N 2.95Å; L381-F383 VanDerWaalsContact C-N 3.35Å; L381-L384 HydrophobicContact CD2-CD1 4.43Å; L381-L384 PolarHBondContact O-N 3.35Å; L381-F385 PolarHBondContact O-N 3.25Å; L381-F385 VanDerWaalsContact O-N 3.15Å
382	R	83	Confident	76.4	Confident	123 Å²	123	59.3 Å²	59.3	46%	0.464	31%	0.311	S	S	.	.	H	α-helix	trans	-65.5	-39.2	174.3	-71.7	166	170.4	174.4	-12	112	K378 D379 L380 F385 V386	K378-R382 VanDerWaalsContact CE-NH2 3.34Å; K378-R382 WeakPolarHBondContact O-CG 3.46Å; K378-R382 PolarHBondContact O-N 3.14Å; K378-R382 VanDerWaalsContact O-N 3.11Å; D379-R382 PolarHBondContact O-N 3.37Å; D379-R382 IonicContact OD1-NH1 3Å; D379-R382 PolarHBondContact OD1-NH1 3.31Å; L380-R382 VanDerWaalsContact C-N 3.33Å; L380-R382 PolarHBondContact O-N 3.05Å; R382-F385 WeakPolarHBondContact O-CB 3.28Å; R382-F385 PolarHBondContact O-N 3.49Å; R382-V386 WeakPolarHBondContact O-CG2 3.45Å; R382-V386 PolarHBondContact O-N 3.08Å
383	F	80.4	Confident	77.9	Confident	13 Å²	13	61.4 Å²	61.4	6%	0.057	32%	0.324	C	S	.	.	H	α-helix	trans	-69.1	-39.5	178.3	-170.2	-85.8	0	0	0	111.2	D379 L380 L381 F385 V386 L387 F903 A907 L966 L974	D379-F383 VanDerWaalsContact O-CB 3.24Å; D379-F383 WeakPolarHBondContact O-CB 3.43Å; D379-F383 PolarHBondContact O-N 3.34Å; L380-F383 PolarHBondContact O-N 2.93Å; L381-F383 VanDerWaalsContact C-N 3.35Å; F383-F385 PolarHBondContact O-N 3.37Å; F383-V386 CarbonylContact O-C 3.6Å; F383-V386 WeakPolarHBondContact O-CA 3.4Å; F383-V386 WeakPolarHBondContact O-CB 3.22Å; F383-V386 PolarHBondContact O-N 3.39Å; F383-L387 HydrophobicContact CD1-CD1 3.8Å; F383-L387 HydrophobicContact CD1-CD2 4.33Å; F383-L387 HydrophobicContact CD1-CG 3.71Å; F383-L387 HydrophobicContact CE1-CD1 3.65Å; F383-L387 HydrophobicContact CE1-CD2 3.59Å; F383-L387 HydrophobicContact CE1-CG 3.47Å; F383-L387 VanDerWaalsContact CE1-CG 3.47Å; F383-L387 HydrophobicContact CZ-CD2 4.1Å; F383-L387 HydrophobicContact CZ-CG 4.35Å; F383-L387 PolarHBondContact O-N 2.8Å; F383-F903 HydrophobicContact CB-CZ 3.9Å; F383-F903 AromaticContact CD1-CE1 3.88Å; F383-F903 HydrophobicContact CD1-CE1 3.88Å; F383-F903 HydrophobicContact CD1-CE2 4.06Å; F383-F903 AromaticContact CD1-CZ 3.17Å; F383-F903 HydrophobicContact CD1-CZ 3.17Å; F383-F903 HydrophobicContact CD2-CE1 4.47Å; F383-F903 HydrophobicContact CD2-CZ 4.35Å; F383-F903 HydrophobicContact CE1-CE1 4Å; F383-F903 AromaticContact CE1-CZ 3.66Å; F383-F903 HydrophobicContact CE1-CZ 3.66Å; F383-F903 HydrophobicContact CG-CE1 4.08Å; F383-F903 AromaticContact CG-CZ 3.54Å; F383-F903 HydrophobicContact CG-CZ 3.54Å; F383-F903 HydrophobicContact CZ-CE1 4.45Å; F383-F903 HydrophobicContact CZ-CZ 4.48Å; F383-A907 HydrophobicContact CE1-CB 3.92Å; F383-L966 HydrophobicContact CB-CD1 3.91Å; F383-L966 HydrophobicContact CD2-CD1 3.76Å; F383-L966 HydrophobicContact CG-CD1 4.35Å; F383-L974 HydrophobicContact CE1-CD1 4.09Å; F383-L974 HydrophobicContact CE2-CD1 3.91Å; F383-L974 HydrophobicContact CZ-CD1 3.31Å
384	L	80.6	Confident	79.5	Confident	40 Å²	40	56.4 Å²	56.4	21%	0.209	30%	0.298	C	S	.	.	H	α-helix	trans	-56.7	-38.2	170.6	-70.8	177.7	0	0	0	111.6	L380 L381 L387 A388 V424 L428	L380-L384 WeakPolarHBondContact O-CG 3.46Å; L380-L384 PolarHBondContact O-N 3.09Å; L381-L384 HydrophobicContact CD2-CD1 4.43Å; L381-L384 PolarHBondContact O-N 3.35Å; L384-L387 HydrophobicContact CD2-CD1 4.23Å; L384-L387 PolarHBondContact O-N 3.13Å; L384-A388 WeakPolarHBondContact O-CB 3.2Å; L384-A388 PolarHBondContact O-N 3.1Å; L384-V424 HydrophobicContact CD2-CG1 4.19Å; L384-L428 HydrophobicContact CD2-CD2 3.98Å
385	F	82.7	Confident	80.8	Confident	152 Å²	152	57.3 Å²	57.3	67%	0.667	30%	0.303	S	S	*	.	H	α-helix	trans	-65.9	-37.7	172.5	-178.6	-98.2	0	0	0	112.9	L381 R382 F383 A388 L389	L381-F385 PolarHBondContact O-N 3.25Å; L381-F385 VanDerWaalsContact O-N 3.15Å; R382-F385 WeakPolarHBondContact O-CB 3.28Å; R382-F385 PolarHBondContact O-N 3.49Å; F383-F385 PolarHBondContact O-N 3.37Å; F385-A388 PolarHBondContact O-N 3.19Å; F385-L389 PolarHBondContact O-N 3.16Å
386	V	83.1	Confident	82.1	Confident	70 Å²	70	61.2 Å²	61.2	42%	0.424	32%	0.32	S	S	.	.	H	α-helix	trans	-65.1	-41	173.1	174.7	0	0	0	0	111.3	R382 F383 A388 L389 L390	R382-V386 WeakPolarHBondContact O-CG2 3.45Å; R382-V386 PolarHBondContact O-N 3.08Å; F383-V386 CarbonylContact O-C 3.6Å; F383-V386 WeakPolarHBondContact O-CA 3.4Å; F383-V386 WeakPolarHBondContact O-CB 3.22Å; F383-V386 PolarHBondContact O-N 3.39Å; V386-A388 VanDerWaalsContact C-N 3.32Å; V386-A388 PolarHBondContact O-N 3.14Å; V386-L389 WeakPolarHBondContact O-CB 3.49Å; V386-L389 PolarHBondContact O-N 3.4Å; V386-L390 PolarHBondContact O-N 3.35Å
387	L	82.9	Confident	83.1	Confident	5 Å²	5	65 Å²	65	3%	0.026	33%	0.334	C	S	.	.	H	α-helix	trans	-61.6	-41	172.8	-69.3	179.6	0	0	0	111.4	F383 L384 L389 L390 A391 A907 L911	F383-L387 HydrophobicContact CD1-CD1 3.8Å; F383-L387 HydrophobicContact CD1-CD2 4.33Å; F383-L387 HydrophobicContact CD1-CG 3.71Å; F383-L387 HydrophobicContact CE1-CD1 3.65Å; F383-L387 HydrophobicContact CE1-CD2 3.59Å; F383-L387 HydrophobicContact CE1-CG 3.47Å; F383-L387 VanDerWaalsContact CE1-CG 3.47Å; F383-L387 HydrophobicContact CZ-CD2 4.1Å; F383-L387 HydrophobicContact CZ-CG 4.35Å; F383-L387 PolarHBondContact O-N 2.8Å; L384-L387 HydrophobicContact CD2-CD1 4.23Å; L384-L387 PolarHBondContact O-N 3.13Å; L387-L389 VanDerWaalsContact C-N 3.32Å; L387-L389 PolarHBondContact O-N 2.94Å; L387-L390 PolarHBondContact O-N 2.87Å; L387-A391 WeakPolarHBondContact O-CB 3.25Å; L387-A391 PolarHBondContact O-N 3.49Å; L387-A907 HydrophobicContact CD1-CB 4.3Å; L387-L911 HydrophobicContact CD2-CD1 3.66Å; L387-L911 HydrophobicContact CD2-CD2 3.9Å; L387-L911 HydrophobicContact CD2-CG 3.92Å
388	A	81.8	Confident	83.9	Confident	34 Å²	34	61 Å²	61	28%	0.281	31%	0.31	S	S	.	.	H	α-helix	trans	-64.1	-35.6	175.2	0	0	0	0	0	112.5	L384 F385 V386 A391 S392	L384-A388 WeakPolarHBondContact O-CB 3.2Å; L384-A388 PolarHBondContact O-N 3.1Å; F385-A388 PolarHBondContact O-N 3.19Å; V386-A388 VanDerWaalsContact C-N 3.32Å; V386-A388 PolarHBondContact O-N 3.14Å; A388-A391 PolarHBondContact O-N 3.43Å; A388-S392 PolarHBondContact O-N 3.45Å
389	L	86.1	Confident	84.8	Confident	109 Å²	109	58.4 Å²	58.4	57%	0.571	30%	0.301	S	S	*	.	H	α-helix	trans	-66.5	-40.4	172.5	-171.6	98.8	0	0	0	111.7	F385 V386 L387 A391 S392 V393	F385-L389 PolarHBondContact O-N 3.16Å; V386-L389 WeakPolarHBondContact O-CB 3.49Å; V386-L389 PolarHBondContact O-N 3.4Å; L387-L389 VanDerWaalsContact C-N 3.32Å; L387-L389 PolarHBondContact O-N 2.94Å; L389-A391 VanDerWaalsContact C-N 3.33Å; L389-S392 PolarHBondContact O-N 2.74Å; L389-S392 PolarHBondContact O-OG 2.68Å; L389-V393 PolarHBondContact O-N 2.83Å
390	L	84.6	Confident	85.4	Confident	64 Å²	64	61.8 Å²	61.8	34%	0.335	32%	0.322	S	S	.	.	H	α-helix	trans	-66.3	-39.8	174.7	-177.4	58.3	0	0	0	111.1	V386 L387 S392 V393 G394 L911 L978	V386-L390 PolarHBondContact O-N 3.35Å; L387-L390 PolarHBondContact O-N 2.87Å; L390-S392 VanDerWaalsContact C-N 3.29Å; L390-S392 PolarHBondContact O-N 3.09Å; L390-V393 WeakPolarHBondContact O-CB 3.29Å; L390-V393 PolarHBondContact O-N 3.25Å; L390-G394 PolarHBondContact O-N 3.25Å; L390-L911 HydrophobicContact CD2-CD1 4.25Å; L390-L911 HydrophobicContact CD2-CD2 3.59Å; L390-L911 HydrophobicContact CG-CD2 4.39Å; L390-L978 HydrophobicContact CD2-CD2 4.31Å
391	A	86.2	Confident	86	Confident	0 Å²	0	61.3 Å²	61.3	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-62.2	-35.1	174.6	0	0	0	0	0	112.2	L387 A388 L389 V393 G394 M395 I420 C423	L387-A391 WeakPolarHBondContact O-CB 3.25Å; L387-A391 PolarHBondContact O-N 3.49Å; A388-A391 PolarHBondContact O-N 3.43Å; L389-A391 VanDerWaalsContact C-N 3.33Å; A391-V393 VanDerWaalsContact C-N 3.29Å; A391-V393 PolarHBondContact O-N 3.42Å; A391-G394 CarbonylContact O-C 3.38Å; A391-G394 PolarHBondContact O-N 3.46Å; A391-G394 VanDerWaalsContact O-N 3.14Å; A391-M395 WeakPolarHBondContact O-CB 3.37Å; A391-M395 PolarHBondContact O-N 3.17Å; A391-I420 HydrophobicContact CB-CG1 4.31Å; A391-C423 HydrophobicContact CB-CB 3.82Å
392	S	88.9	Confident	86.5	Confident	52 Å²	52	56.9 Å²	56.9	36%	0.364	30%	0.296	S	S	.	.	H	α-helix	trans	-67.7	-27.8	178.2	75.8	0	0	0	0	113.1	A388 L389 L390 M395 L396	A388-S392 PolarHBondContact O-N 3.45Å; L389-S392 PolarHBondContact O-N 2.74Å; L389-S392 PolarHBondContact O-OG 2.68Å; L390-S392 VanDerWaalsContact C-N 3.29Å; L390-S392 PolarHBondContact O-N 3.09Å; S392-M395 WeakPolarHBondContact O-CB 3.3Å; S392-M395 PolarHBondContact O-N 3.17Å; S392-L396 WeakPolarHBondContact O-CB 3.46Å; S392-L396 PolarHBondContact O-N 3.41Å
393	V	90.1	Very high	86.7	Confident	96 Å²	96	53.2 Å²	53.2	58%	0.582	30%	0.296	S	S	*	.	H	α-helix	trans	-65.5	-45.1	169.9	179.1	0	0	0	0	110.4	L389 L390 A391 M395 L396 Y397	L389-V393 PolarHBondContact O-N 2.83Å; L390-V393 WeakPolarHBondContact O-CB 3.29Å; L390-V393 PolarHBondContact O-N 3.25Å; A391-V393 VanDerWaalsContact C-N 3.29Å; A391-V393 PolarHBondContact O-N 3.42Å; V393-M395 VanDerWaalsContact C-N 3.32Å; V393-M395 PolarHBondContact O-N 3Å; V393-L396 PolarHBondContact O-N 2.94Å; V393-Y397 PolarHBondContact O-N 2.95Å
394	G	87.5	Confident	87.1	Confident	5 Å²	5	60 Å²	60	5%	0.052	33%	0.33	C	S	.	.	H	α-helix	trans	-64	-37.4	174	0	0	0	0	0	112.9	L390 A391 Y397 T398 L419	L390-G394 PolarHBondContact O-N 3.25Å; A391-G394 CarbonylContact O-C 3.38Å; A391-G394 PolarHBondContact O-N 3.46Å; A391-G394 VanDerWaalsContact O-N 3.14Å; G394-Y397 WeakPolarHBondContact O-CB 3.43Å; G394-Y397 PolarHBondContact O-N 3.48Å; G394-T398 WeakPolarHBondContact O-CB 3.37Å; G394-T398 PolarHBondContact O-N 3.34Å; G394-T398 PolarHBondContact O-OG1 2.65Å; G394-L419 WeakPolarHBondContact O-CD2 3.24Å
395	M	88.6	Confident	87.3	Confident	48 Å²	48	62.1 Å²	62.1	24%	0.236	34%	0.335	C	S	.	.	H	α-helix	trans	-60.3	-48.1	175.2	-174.4	-168.6	178.4	0	0	110.5	A391 S392 V393 T398 I399 A416 L417 I420	A391-M395 WeakPolarHBondContact O-CB 3.37Å; A391-M395 PolarHBondContact O-N 3.17Å; S392-M395 WeakPolarHBondContact O-CB 3.3Å; S392-M395 PolarHBondContact O-N 3.17Å; V393-M395 VanDerWaalsContact C-N 3.32Å; V393-M395 PolarHBondContact O-N 3Å; M395-T398 PolarHBondContact O-N 3.5Å; M395-I399 HydrophobicContact CE-CD1 4.03Å; M395-I399 HydrophobicContact CG-CD1 4Å; M395-I399 VanDerWaalsContact O-CG1 3.28Å; M395-I399 WeakPolarHBondContact O-CG1 3.23Å; M395-I399 PolarHBondContact O-N 2.84Å; M395-A416 HydrophobicContact CE-CB 4.12Å; M395-A416 HydrophobicContact CG-CB 3.73Å; M395-L417 HydrophobicContact CE-CD2 4.12Å; M395-I420 HydrophobicContact SD-CD1 3.96Å
396	L	91.7	Very high	87.3	Confident	110 Å²	110	58 Å²	58	58%	0.576	34%	0.336	S	S	*	.	H	α-helix	trans	-61.9	-45	176.9	-178.4	62.6	0	0	0	111.8	S392 V393 T398 I399 V400	S392-L396 WeakPolarHBondContact O-CB 3.46Å; S392-L396 PolarHBondContact O-N 3.41Å; V393-L396 PolarHBondContact O-N 2.94Å; L396-T398 VanDerWaalsContact C-N 3.27Å; L396-T398 PolarHBondContact O-N 3.4Å; L396-I399 PolarHBondContact O-N 2.86Å; L396-V400 HydrophobicContact CD1-CG2 4.34Å; L396-V400 WeakPolarHBondContact O-CG2 3.42Å; L396-V400 PolarHBondContact O-N 3.45Å
397	Y	91.4	Very high	87.3	Confident	86 Å²	86	55.9 Å²	55.9	34%	0.337	32%	0.324	S	S	.	.	H	α-helix	trans	-54.5	-45	173.7	167	-101.5	0	0	0	111.7	V393 G394 V400 L401 C918	V393-Y397 PolarHBondContact O-N 2.95Å; G394-Y397 WeakPolarHBondContact O-CB 3.43Å; G394-Y397 PolarHBondContact O-N 3.48Å; Y397-V400 PolarHBondContact O-N 3.31Å; Y397-L401 HydrophobicContact CE1-CD2 4.11Å; Y397-L401 VanDerWaalsContact O-CB 3.24Å; Y397-L401 WeakPolarHBondContact O-CB 3.44Å; Y397-L401 PolarHBondContact O-N 2.93Å; Y397-C918 HydrophobicContact CE1-CB 4.34Å
398	T	88.1	Confident	87.5	Confident	0 Å²	0	58.8 Å²	58.8	0%	0	35%	0.345	C	S	.	.	H	α-helix	trans	-67.7	-43.1	-178.6	-57.5	0	0	0	0	111.3	G394 M395 L396 L401 M402 Y921	G394-T398 WeakPolarHBondContact O-CB 3.37Å; G394-T398 PolarHBondContact O-N 3.34Å; G394-T398 PolarHBondContact O-OG1 2.65Å; M395-T398 PolarHBondContact O-N 3.5Å; L396-T398 VanDerWaalsContact C-N 3.27Å; L396-T398 PolarHBondContact O-N 3.4Å; T398-L401 PolarHBondContact O-N 3.29Å; T398-M402 HydrophobicContact CG2-CG 4.25Å; T398-M402 HydrophobicContact CG2-SD 3.72Å; T398-M402 WeakPolarHBondContact O-CB 3.24Å; T398-M402 VanDerWaalsContact O-CG 3.3Å; T398-M402 WeakPolarHBondContact O-CG 3.5Å; T398-M402 PolarHBondContact O-N 2.91Å; T398-Y921 HydrophobicContact CG2-CD2 3.57Å; T398-Y921 HydrophobicContact CG2-CE2 3.63Å; T398-Y921 WeakPolarHBondContact OG1-CD2 3.32Å
399	I	90.5	Very high	87.8	Confident	66 Å²	66	64.1 Å²	64.1	34%	0.338	37%	0.367	S	S	.	.	H	α-helix	trans	-61.2	-47.9	177.1	-69.5	165.9	0	0	0	110.9	M395 L396 G403 I412 A416	M395-I399 HydrophobicContact CE-CD1 4.03Å; M395-I399 HydrophobicContact CG-CD1 4Å; M395-I399 VanDerWaalsContact O-CG1 3.28Å; M395-I399 WeakPolarHBondContact O-CG1 3.23Å; M395-I399 PolarHBondContact O-N 2.84Å; L396-I399 PolarHBondContact O-N 2.86Å; I399-G403 WeakPolarHBondContact O-CA 3.26Å; I399-G403 PolarHBondContact O-N 2.87Å; I399-I412 HydrophobicContact CB-CG2 4.4Å; I399-I412 HydrophobicContact CG1-CG2 4.04Å; I399-I412 HydrophobicContact CG2-CG2 4.43Å; I399-A416 HydrophobicContact CD1-CB 4.19Å; I399-A416 HydrophobicContact CG1-CB 3.85Å
400	V	91.6	Very high	87.8	Confident	81 Å²	81	61.2 Å²	61.2	49%	0.491	36%	0.363	S	S	.	.	H	α-helix	trans	-62.4	-48.1	179.2	172.8	0	0	0	0	110.2	L396 Y397 G403 M404	L396-V400 HydrophobicContact CD1-CG2 4.34Å; L396-V400 WeakPolarHBondContact O-CG2 3.42Å; L396-V400 PolarHBondContact O-N 3.45Å; Y397-V400 PolarHBondContact O-N 3.31Å; V400-G403 PolarHBondContact O-N 2.89Å; V400-M404 HydrophobicContact CG1-SD 4.14Å; V400-M404 VanDerWaalsContact O-CG 3.29Å; V400-M404 WeakPolarHBondContact O-CG 3.22Å; V400-M404 PolarHBondContact O-N 2.95Å
401	L	89.6	Confident	87.7	Confident	20 Å²	20	63 Å²	63	11%	0.105	37%	0.368	C	S	.	.	H	α-helix	trans	-62.9	-46.5	-178.1	-179.2	65	0	0	0	112.5	Y397 T398 M404 R405 Y921 W922	Y397-L401 HydrophobicContact CE1-CD2 4.11Å; Y397-L401 VanDerWaalsContact O-CB 3.24Å; Y397-L401 WeakPolarHBondContact O-CB 3.44Å; Y397-L401 PolarHBondContact O-N 2.93Å; T398-L401 PolarHBondContact O-N 3.29Å; L401-M404 PolarHBondContact O-N 3.13Å; L401-R405 PolarHBondContact O-N 3.49Å; L401-Y921 VanDerWaalsContact CD2-O 3.31Å; L401-Y921 WeakPolarHBondContact CD2-O 3.3Å; L401-W922 HydrophobicContact CD1-CE3 4.23Å; L401-W922 HydrophobicContact CD1-CZ3 4.46Å
402	M	86.4	Confident	87.8	Confident	21 Å²	21	64 Å²	64	10%	0.103	37%	0.374	C	S	.	.	H	α-helix	trans	-73.9	-31	179.6	-65.3	-177.1	73.8	0	0	112.3	T398 R405 G406 C407 I412 R415	T398-M402 HydrophobicContact CG2-CG 4.25Å; T398-M402 HydrophobicContact CG2-SD 3.72Å; T398-M402 WeakPolarHBondContact O-CB 3.24Å; T398-M402 VanDerWaalsContact O-CG 3.3Å; T398-M402 WeakPolarHBondContact O-CG 3.5Å; T398-M402 PolarHBondContact O-N 2.91Å; M402-R405 PolarHBondContact O-N 3.36Å; M402-G406 PolarHBondContact O-N 3.47Å; M402-C407 HydrophobicContact CB-CB 4.24Å; M402-C407 HydrophobicContact CE-CB 4.03Å; M402-C407 PolarHBondContact O-N 2.91Å; M402-I412 HydrophobicContact CB-CD1 4.25Å; M402-I412 HydrophobicContact CB-CG1 3.79Å; M402-I412 HydrophobicContact CE-CG1 4.28Å; M402-R415 HydrophobicContact CE-CB 4.32Å; M402-R415 HydrophobicContact CE-CG 4.1Å; M402-R415 HydrophobicContact SD-CB 3.9Å; M402-R415 HydrophobicContact SD-CG 4.3Å
403	G	87.9	Confident	87.8	Confident	45 Å²	45	66.5 Å²	66.5	46%	0.464	38%	0.382	S	S	.	.	H	α-helix	trans	-62.1	-44	171.3	0	0	0	0	0	111.8	I399 V400 R405 G406	I399-G403 WeakPolarHBondContact O-CA 3.26Å; I399-G403 PolarHBondContact O-N 2.87Å; V400-G403 PolarHBondContact O-N 2.89Å; G403-R405 PolarHBondContact O-N 3Å; G403-G406 PolarHBondContact O-N 3.03Å; G403-G406 VanDerWaalsContact O-N 3.1Å
404	M	88.7	Confident	87.7	Confident	156 Å²	156	63.1 Å²	63.1	77%	0.768	36%	0.362	S	S	*	.	H	α-helix	trans	-61.9	-26	174.2	-72.5	175.9	68	0	0	113.4	V400 L401	V400-M404 HydrophobicContact CG1-SD 4.14Å; V400-M404 VanDerWaalsContact O-CG 3.29Å; V400-M404 WeakPolarHBondContact O-CG 3.22Å; V400-M404 PolarHBondContact O-N 2.95Å; L401-M404 PolarHBondContact O-N 3.13Å
405	R	83.7	Confident	87.6	Confident	84 Å²	84	64.1 Å²	64.1	32%	0.317	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.4	-6.6	176.8	-71.7	-176	-176.8	146.2	3.4	114.4	L401 M402 G403 C407 Y921 W922	L401-R405 PolarHBondContact O-N 3.49Å; M402-R405 PolarHBondContact O-N 3.36Å; G403-R405 PolarHBondContact O-N 3Å; R405-C407 VanDerWaalsContact C-N 3.34Å; R405-Y921 VanDerWaalsContact CZ-O 3.3Å; R405-Y921 PolarHBondContact NH1-O 3.33Å; R405-Y921 PolarHBondContact NH2-O 3.03Å; R405-W922 PolarHBondContact NH2-O 3.49Å
406	G	83	Confident	87.6	Confident	67 Å²	67	61.9 Å²	61.9	69%	0.691	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.5	28.9	-176.1	0	0	0	0	0	113.9	M402 G403	M402-G406 PolarHBondContact O-N 3.47Å; G403-G406 PolarHBondContact O-N 3.03Å; G403-G406 VanDerWaalsContact O-N 3.1Å
407	C	83.9	Confident	87.4	Confident	25 Å²	25	58.6 Å²	58.6	17%	0.169	34%	0.336	C	S	.	.			trans	-65.4	151.2	174.1	-63	0	0	0	0	111.4	M402 R405 I412	M402-C407 HydrophobicContact CB-CB 4.24Å; M402-C407 HydrophobicContact CE-CB 4.03Å; M402-C407 PolarHBondContact O-N 2.91Å; R405-C407 VanDerWaalsContact C-N 3.34Å; C407-I412 HydrophobicContact CB-CD1 4.26Å; C407-I412 HydrophobicContact CB-CG1 3.94Å; C407-I412 WeakPolarHBondContact O-CD1 3.31Å
408	S	87.5	Confident	87.2	Confident	66 Å²	66	54.9 Å²	54.9	46%	0.462	32%	0.322	S	S	.	.			trans	-60.1	140.6	175.5	61.7	0	0	0	0	111.8	G410 K411 I412	S408-G410 VanDerWaalsContact C-N 3.26Å; S408-G410 PolarHBondContact O-N 2.87Å; S408-K411 PolarHBondContact O-N 2.84Å; S408-K411 WeakPolarHBondContact OG-CB 3.35Å; S408-K411 VanDerWaalsContact OG-CG 3.24Å; S408-K411 WeakPolarHBondContact OG-CG 3.31Å; S408-I412 WeakPolarHBondContact O-CG1 3.35Å; S408-I412 PolarHBondContact O-N 2.88Å
409	I	87.7	Confident	87.2	Confident	146 Å²	146	54.9 Å²	54.9	75%	0.749	32%	0.322	S	S	*	.	H	α-helix	trans	-53.1	-42.2	-178.6	-60.7	170	0	0	0	112.1	K411 I412 L413	I409-K411 PolarHBondContact O-N 2.81Å; I409-I412 PolarHBondContact O-N 3.43Å; I409-L413 PolarHBondContact O-N 3.26Å
410	G	85.6	Confident	86.9	Confident	48 Å²	48	53.4 Å²	53.4	50%	0.495	31%	0.314	S	S	.	.	H	α-helix	trans	-58.4	-47.8	177.9	0	0	0	0	0	112.8	S408 I412 L413 V414	S408-G410 VanDerWaalsContact C-N 3.26Å; S408-G410 PolarHBondContact O-N 2.87Å; G410-I412 PolarHBondContact O-N 3.44Å; G410-L413 PolarHBondContact O-N 3.49Å; G410-V414 WeakPolarHBondContact O-CG2 3.42Å; G410-V414 PolarHBondContact O-N 3.26Å
411	K	83.9	Confident	86.7	Confident	100 Å²	100	49.7 Å²	49.7	44%	0.435	29%	0.292	S	S	.	.	H	α-helix	trans	-63.1	-40	175.6	-70.2	-172.9	179.9	-151.9	0	112.5	S408 I409 L413 R415 E1008	S408-K411 PolarHBondContact O-N 2.84Å; S408-K411 WeakPolarHBondContact OG-CB 3.35Å; S408-K411 VanDerWaalsContact OG-CG 3.24Å; S408-K411 WeakPolarHBondContact OG-CG 3.31Å; I409-K411 PolarHBondContact O-N 2.81Å; K411-L413 VanDerWaalsContact C-N 3.31Å; K411-L413 PolarHBondContact O-N 2.78Å; K411-R415 WeakPolarHBondContact O-CB 3.44Å; K411-R415 VanDerWaalsContact O-CG 3.24Å; K411-R415 WeakPolarHBondContact O-CG 3.3Å; K411-R415 PolarHBondContact O-N 2.87Å; K411-R415 VanDerWaalsContact O-N 3.08Å; K411-E1008 IonicContact NZ-OE1 3.13Å; K411-E1008 PolarHBondContact NZ-OE1 3.37Å; K411-E1008 VanDerWaalsContact NZ-OE1 3.13Å
412	I	88	Confident	86.6	Confident	23 Å²	23	49.5 Å²	49.5	12%	0.118	29%	0.291	C	S	.	.	H	α-helix	trans	-59.7	-46.2	176.1	-62.6	175.6	0	0	0	110	I399 M402 C407 S408 I409 G410 A416	I399-I412 HydrophobicContact CB-CG2 4.4Å; I399-I412 HydrophobicContact CG1-CG2 4.04Å; I399-I412 HydrophobicContact CG2-CG2 4.43Å; M402-I412 HydrophobicContact CB-CD1 4.25Å; M402-I412 HydrophobicContact CB-CG1 3.79Å; M402-I412 HydrophobicContact CE-CG1 4.28Å; C407-I412 HydrophobicContact CB-CD1 4.26Å; C407-I412 HydrophobicContact CB-CG1 3.94Å; C407-I412 WeakPolarHBondContact O-CD1 3.31Å; S408-I412 WeakPolarHBondContact O-CG1 3.35Å; S408-I412 PolarHBondContact O-N 2.88Å; I409-I412 PolarHBondContact O-N 3.43Å; G410-I412 PolarHBondContact O-N 3.44Å; I412-A416 WeakPolarHBondContact O-CB 3.16Å; I412-A416 PolarHBondContact O-N 3Å
413	L	88.6	Confident	86.7	Confident	104 Å²	104	48.5 Å²	48.5	55%	0.545	29%	0.286	S	S	.	.	H	α-helix	trans	-65.8	-47.6	-177.5	-172.8	142.3	0	0	0	112.2	I409 G410 K411 A416 L417	I409-L413 PolarHBondContact O-N 3.26Å; G410-L413 PolarHBondContact O-N 3.49Å; K411-L413 VanDerWaalsContact C-N 3.31Å; K411-L413 PolarHBondContact O-N 2.78Å; L413-A416 PolarHBondContact O-N 3.42Å; L413-L417 HydrophobicContact CD2-CD1 3.62Å; L413-L417 HydrophobicContact CD2-CG 4.49Å; L413-L417 HydrophobicContact CG-CD1 4.2Å; L413-L417 WeakPolarHBondContact O-CB 3.29Å; L413-L417 VanDerWaalsContact O-CG 3.31Å; L413-L417 WeakPolarHBondContact O-CG 3.18Å; L413-L417 PolarHBondContact O-N 3.49Å
414	V	88.1	Confident	86.5	Confident	24 Å²	24	47.3 Å²	47.3	15%	0.145	27%	0.269	C	S	.	.	H	α-helix	trans	-59.9	-48.4	178	173.7	0	0	0	0	110.7	I201 D205 G410 A416 L417 D418	I201-V414 HydrophobicContact CG2-CG1 4.39Å; D205-V414 HydrophobicContact CB-CG1 3.89Å; G410-V414 WeakPolarHBondContact O-CG2 3.42Å; G410-V414 PolarHBondContact O-N 3.26Å; V414-A416 PolarHBondContact O-N 3.37Å; V414-L417 PolarHBondContact O-N 2.94Å; V414-D418 VanDerWaalsContact O-CB 3.3Å; V414-D418 WeakPolarHBondContact O-CB 3.42Å; V414-D418 PolarHBondContact O-N 2.83Å
415	R	85	Confident	86.1	Confident	27 Å²	27	40 Å²	40	10%	0.102	23%	0.234	C	C	.	.	H	α-helix	trans	-67.6	-36.3	-178.9	-66.2	-66	179.8	-170	-6	113.6	D205 M402 K411 L419 N926 E1008	D205-R415 VanDerWaalsContact CG-CZ 3.45Å; D205-R415 IonicContact OD1-CZ 3.03Å; D205-R415 IonicContact OD1-NE 3.36Å; D205-R415 PolarHBondContact OD1-NE 2.75Å; D205-R415 IonicContact OD1-NH1 3.21Å; D205-R415 PolarHBondContact OD1-NH1 3.4Å; D205-R415 IonicContact OD1-NH2 3.13Å; D205-R415 PolarHBondContact OD1-NH2 3.11Å; D205-R415 IonicContact OD2-CZ 2.97Å; D205-R415 IonicContact OD2-NH1 3.31Å; D205-R415 PolarHBondContact OD2-NH1 3.24Å; D205-R415 IonicContact OD2-NH2 2.98Å; D205-R415 PolarHBondContact OD2-NH2 3.28Å; M402-R415 HydrophobicContact CE-CB 4.32Å; M402-R415 HydrophobicContact CE-CG 4.1Å; M402-R415 HydrophobicContact SD-CB 3.9Å; M402-R415 HydrophobicContact SD-CG 4.3Å; K411-R415 WeakPolarHBondContact O-CB 3.44Å; K411-R415 VanDerWaalsContact O-CG 3.24Å; K411-R415 WeakPolarHBondContact O-CG 3.3Å; K411-R415 PolarHBondContact O-N 2.87Å; K411-R415 VanDerWaalsContact O-N 3.08Å; R415-L419 PolarHBondContact O-N 2.89Å; R415-N926 PolarHBondContact NH1-ND2 3.09Å; R415-E1008 IonicContact NH2-OE2 2.82Å; R415-E1008 PolarHBondContact NH2-OE2 3.48Å
416	A	88.2	Confident	85.8	Confident	1 Å²	1	36.4 Å²	36.4	1%	0.008	22%	0.221	C	C	.	.	H	α-helix	trans	-67.2	-40.3	176.3	0	0	0	0	0	111.7	M395 I399 I412 L413 V414	M395-A416 HydrophobicContact CE-CB 4.12Å; M395-A416 HydrophobicContact CG-CB 3.73Å; I399-A416 HydrophobicContact CD1-CB 4.19Å; I399-A416 HydrophobicContact CG1-CB 3.85Å; I412-A416 WeakPolarHBondContact O-CB 3.16Å; I412-A416 PolarHBondContact O-N 3Å; L413-A416 PolarHBondContact O-N 3.42Å; V414-A416 PolarHBondContact O-N 3.37Å
417	L	88.6	Confident	85.6	Confident	41 Å²	41	34.6 Å²	34.6	22%	0.215	20%	0.2	C	C	.	.	H	α-helix	trans	-74.7	-37.4	177.1	-68.3	177.8	0	0	0	112.7	I201 M395 L413 V414 L419 I420 T421	I201-L417 HydrophobicContact CD1-CB 3.79Å; M395-L417 HydrophobicContact CE-CD2 4.12Å; L413-L417 HydrophobicContact CD2-CD1 3.62Å; L413-L417 HydrophobicContact CD2-CG 4.49Å; L413-L417 HydrophobicContact CG-CD1 4.2Å; L413-L417 WeakPolarHBondContact O-CB 3.29Å; L413-L417 VanDerWaalsContact O-CG 3.31Å; L413-L417 WeakPolarHBondContact O-CG 3.18Å; L413-L417 PolarHBondContact O-N 3.49Å; V414-L417 PolarHBondContact O-N 2.94Å; L417-L419 PolarHBondContact O-N 2.8Å; L417-I420 HydrophobicContact CD2-CD1 4.26Å; L417-I420 WeakPolarHBondContact O-CB 3.36Å; L417-I420 PolarHBondContact O-N 3Å; L417-T421 PolarHBondContact O-N 2.88Å
418	D	86.8	Confident	85.5	Confident	7 Å²	7	33.7 Å²	33.7	4%	0.037	19%	0.193	C	C	.	.	H	α-helix	trans	-55.1	-39	176	-179.2	46	0	0	0	111.6	I201 W202 V414 I420 T421 I422	I201-D418 HydrophobicContact CG2-CB 4.02Å; W202-D418 PolarHBondContact NE1-OD1 3.08Å; V414-D418 VanDerWaalsContact O-CB 3.3Å; V414-D418 WeakPolarHBondContact O-CB 3.42Å; V414-D418 PolarHBondContact O-N 2.83Å; D418-I420 PolarHBondContact O-N 2.94Å; D418-T421 WeakPolarHBondContact O-CA 3.43Å; D418-T421 WeakPolarHBondContact O-CB 3.18Å; D418-T421 PolarHBondContact O-N 3.48Å; D418-T421 PolarHBondContact O-OG1 2.99Å; D418-T421 PolarHBondContact OD1-OG1 3.49Å; D418-I422 PolarHBondContact O-N 2.88Å
419	L	87.8	Confident	85	Confident	0 Å²	0	33 Å²	33	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-60.3	-30.6	177.1	-161.8	69.8	0	0	0	113.8	G394 R415 L417 I422 C423 F914 V917 Y921	G394-L419 WeakPolarHBondContact O-CD2 3.24Å; R415-L419 PolarHBondContact O-N 2.89Å; L417-L419 PolarHBondContact O-N 2.8Å; L419-I422 HydrophobicContact CD1-CD1 4.44Å; L419-C423 PolarHBondContact O-N 2.91Å; L419-F914 HydrophobicContact CD1-CD2 3.49Å; L419-F914 VanDerWaalsContact CD1-CD2 3.49Å; L419-F914 HydrophobicContact CD1-CE2 3.87Å; L419-F914 HydrophobicContact CD1-CG 4.47Å; L419-F914 HydrophobicContact CD2-CD2 3.98Å; L419-F914 HydrophobicContact CD2-CE2 3.43Å; L419-F914 VanDerWaalsContact CD2-CE2 3.43Å; L419-F914 HydrophobicContact CD2-CZ 4.39Å; L419-F914 HydrophobicContact CG-CD2 3.5Å; L419-F914 HydrophobicContact CG-CE2 3.48Å; L419-F914 VanDerWaalsContact CG-CE2 3.48Å; L419-V917 HydrophobicContact CD1-CB 4.4Å; L419-V917 HydrophobicContact CD1-CG1 3.97Å; L419-Y921 HydrophobicContact CD1-CE2 4.47Å
420	I	84.9	Confident	84.6	Confident	36 Å²	36	28.8 Å²	28.8	19%	0.185	17%	0.174	C	C	.	.	H	α-helix	trans	-69.6	-38.4	173.2	-59.6	175.2	0	0	0	110.2	A391 M395 L417 D418 I422 C423 V424	A391-I420 HydrophobicContact CB-CG1 4.31Å; M395-I420 HydrophobicContact SD-CD1 3.96Å; L417-I420 HydrophobicContact CD2-CD1 4.26Å; L417-I420 WeakPolarHBondContact O-CB 3.36Å; L417-I420 PolarHBondContact O-N 3Å; D418-I420 PolarHBondContact O-N 2.94Å; I420-I422 VanDerWaalsContact C-N 3.31Å; I420-I422 PolarHBondContact O-N 3.46Å; I420-C423 PolarHBondContact O-N 3.41Å; I420-V424 PolarHBondContact O-N 3.42Å
421	T	87.3	Confident	84.6	Confident	2 Å²	2	26.7 Å²	26.7	1%	0.012	15%	0.152	C	C	.	.	H	α-helix	trans	-66.7	-33.7	178.4	79.6	0	0	0	0	112.1	F197 I201 W202 L417 D418	F197-T421 HydrophobicContact CE1-CG2 4.38Å; I201-T421 HydrophobicContact CD1-CG2 3.79Å; W202-T421 PolarHBondContact NE1-OG1 2.98Å; L417-T421 PolarHBondContact O-N 2.88Å; D418-T421 WeakPolarHBondContact O-CA 3.43Å; D418-T421 WeakPolarHBondContact O-CB 3.18Å; D418-T421 PolarHBondContact O-N 3.48Å; D418-T421 PolarHBondContact O-OG1 2.99Å; D418-T421 PolarHBondContact OD1-OG1 3.49Å
422	I	88.1	Confident	84.4	Confident	16 Å²	16	22.7 Å²	22.7	8%	0.082	14%	0.135	C	C	.	.	H	α-helix	trans	-65.7	-44.9	175.8	-64.8	171.2	0	0	0	111.2	D418 L419 I420 V424 S910 Q913 F914 V917	D418-I422 PolarHBondContact O-N 2.88Å; L419-I422 HydrophobicContact CD1-CD1 4.44Å; I420-I422 VanDerWaalsContact C-N 3.31Å; I420-I422 PolarHBondContact O-N 3.46Å; I422-V424 VanDerWaalsContact C-N 3.3Å; I422-V424 PolarHBondContact O-N 2.98Å; I422-S910 WeakPolarHBondContact O-CB 3.45Å; I422-Q913 HydrophobicContact CG2-CB 4.18Å; I422-Q913 HydrophobicContact CG2-CG 3.84Å; I422-F914 HydrophobicContact CG2-CB 4.25Å; I422-V917 HydrophobicContact CD1-CB 4.49Å; I422-V917 HydrophobicContact CD1-CG1 4.32Å; I422-V917 HydrophobicContact CD1-CG2 4.08Å
423	C	87	Confident	84.2	Confident	0 Å²	0	25 Å²	25	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-65.5	-29.9	-177.9	-80.7	0	0	0	0	114	A391 L419 I420 P425 S910 F914	A391-C423 HydrophobicContact CB-CB 3.82Å; L419-C423 PolarHBondContact O-N 2.91Å; I420-C423 PolarHBondContact O-N 3.41Å; C423-P425 WeakPolarHBondContact O-CD 3.31Å; C423-S910 PolarHBondContact O-OG 3.21Å; C423-F914 WeakPolarHBondContact SG-CD2 3.25Å; C423-F914 VanDerWaalsContact SG-CG 3.51Å
424	V	83.7	Confident	84	Confident	20 Å²	20	22.2 Å²	22.2	12%	0.121	14%	0.135	C	C	.	.	S	Bend	trans	-104.8	93.9	-176.9	179.9	0	0	0	0	109.5	F194 L384 I420 I422	F194-V424 HydrophobicContact CD1-CG1 3.97Å; F194-V424 HydrophobicContact CE1-CB 3.63Å; F194-V424 HydrophobicContact CE1-CG1 3.42Å; F194-V424 VanDerWaalsContact CE1-CG1 3.42Å; F194-V424 HydrophobicContact CE2-CB 4.42Å; F194-V424 HydrophobicContact CE2-CG1 4.47Å; F194-V424 HydrophobicContact CZ-CB 3.51Å; F194-V424 HydrophobicContact CZ-CG1 3.72Å; F194-V424 HydrophobicContact CZ-CG2 4.18Å; L384-V424 HydrophobicContact CD2-CG1 4.19Å; I420-V424 PolarHBondContact O-N 3.42Å; I422-V424 VanDerWaalsContact C-N 3.3Å; I422-V424 PolarHBondContact O-N 2.98Å
425	P	80.6	Confident	83.8	Confident	4 Å²	4	21.1 Å²	21.1	3%	0.026	13%	0.129	C	C	.	.			trans	-65.1	123.1	-171.1	23.5	-35.1	0	0	0	112.5	C423 A427 L428 M906 Y909	C423-P425 WeakPolarHBondContact O-CD 3.31Å; P425-A427 PolarHBondContact O-N 3.32Å; P425-L428 HydrophobicContact CB-CB 4.37Å; P425-L428 HydrophobicContact CG-CB 3.87Å; P425-L428 HydrophobicContact CG-CD2 4.36Å; P425-L428 WeakPolarHBondContact O-CB 3.5Å; P425-L428 PolarHBondContact O-N 3.44Å; P425-M906 HydrophobicContact CG-CB 4.14Å; P425-Y909 HydrophobicContact CB-CE1 4.07Å; P425-Y909 WeakPolarHBondContact CB-OH 3.44Å
426	P	77.5	Confident	84	Confident	7 Å²	7	20.2 Å²	20.2	5%	0.045	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-25.6	-179.6	28.5	-36.9	0	0	0	112.1	F191 Q195 W202 I214 L428	F191-P426 VanDerWaalsContact CE2-O 3.26Å; F191-P426 WeakPolarHBondContact CE2-O 3.29Å; F191-P426 WeakPolarHBondContact CZ-O 3.38Å; Q195-P426 HydrophobicContact CG-CB 4.45Å; W202-P426 HydrophobicContact CH2-CG 4.18Å; I214-P426 HydrophobicContact CD1-CG 4.3Å; P426-L428 VanDerWaalsContact C-N 3.29Å; P426-L428 PolarHBondContact O-N 3.29Å
427	A	79.4	Confident	84	Confident	29 Å²	29	24.6 Å²	24.6	24%	0.24	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-5.5	-179.9	0	0	0	0	0	113.9	P425 A430 A431 M906	P425-A427 PolarHBondContact O-N 3.32Å; A427-A430 PolarHBondContact O-N 3.4Å; A427-A431 WeakPolarHBondContact O-CB 3.44Å; A427-A431 PolarHBondContact O-N 2.9Å; A427-M906 HydrophobicContact CB-CE 3.61Å
428	L	81.5	Confident	84	Confident	7 Å²	7	23.5 Å²	23.5	4%	0.037	15%	0.145	C	C	.	.	H	α-helix	trans	-59	-51.2	-170.5	170.2	66.9	0	0	0	113.9	L380 L384 P425 P426 A430 A431 M432 F903 M906	L380-L428 HydrophobicContact CD1-CD2 4.09Å; L384-L428 HydrophobicContact CD2-CD2 3.98Å; P425-L428 HydrophobicContact CB-CB 4.37Å; P425-L428 HydrophobicContact CG-CB 3.87Å; P425-L428 HydrophobicContact CG-CD2 4.36Å; P425-L428 WeakPolarHBondContact O-CB 3.5Å; P425-L428 PolarHBondContact O-N 3.44Å; P426-L428 VanDerWaalsContact C-N 3.29Å; P426-L428 PolarHBondContact O-N 3.29Å; L428-A430 VanDerWaalsContact C-N 3.29Å; L428-A430 PolarHBondContact O-N 3.45Å; L428-A431 PolarHBondContact O-N 2.73Å; L428-M432 HydrophobicContact CD1-CG 4.03Å; L428-M432 HydrophobicContact CD1-SD 4.45Å; L428-M432 WeakPolarHBondContact O-CG 3.35Å; L428-M432 PolarHBondContact O-N 3.33Å; L428-M432 VanDerWaalsContact O-N 3.08Å; L428-F903 HydrophobicContact CD1-CD2 3.96Å; L428-F903 HydrophobicContact CD2-CD2 4.27Å; L428-F903 HydrophobicContact CD2-CE2 4.29Å; L428-M906 HydrophobicContact CD1-CB 3.66Å; L428-M906 HydrophobicContact CD1-CG 3.81Å
429	P	77.6	Confident	84.2	Confident	52 Å²	52	23.2 Å²	23.2	34%	0.338	14%	0.144	S	C	.	.	H	α-helix	trans	-62.8	-35.4	178.8	-26.8	39.2	0	0	0	113.6	F191 M432 T433	F191-P429 HydrophobicContact CD1-CG 4.34Å; F191-P429 HydrophobicContact CD2-CG 3.5Å; F191-P429 HydrophobicContact CE1-CB 4.46Å; F191-P429 HydrophobicContact CE1-CG 4.19Å; F191-P429 HydrophobicContact CE2-CB 4.36Å; F191-P429 HydrophobicContact CE2-CG 3.33Å; F191-P429 HydrophobicContact CG-CG 3.98Å; F191-P429 HydrophobicContact CZ-CB 4.22Å; F191-P429 HydrophobicContact CZ-CG 3.66Å; P429-M432 PolarHBondContact O-N 2.91Å; P429-T433 PolarHBondContact O-N 3.5Å; P429-T433 VanDerWaalsContact O-N 3.13Å; P429-T433 PolarHBondContact O-OG1 2.81Å
430	A	79.5	Confident	84.4	Confident	56 Å²	56	25.9 Å²	25.9	46%	0.463	16%	0.156	S	C	.	.	H	α-helix	trans	-64.8	-48.3	176.7	0	0	0	0	0	111	A427 L428 M432 T433 I434	A427-A430 PolarHBondContact O-N 3.4Å; L428-A430 VanDerWaalsContact C-N 3.29Å; L428-A430 PolarHBondContact O-N 3.45Å; A430-M432 VanDerWaalsContact C-N 3.29Å; A430-M432 PolarHBondContact O-N 2.88Å; A430-T433 PolarHBondContact O-N 3.45Å; A430-T433 VanDerWaalsContact O-N 3.14Å; A430-I434 WeakPolarHBondContact O-CD1 3.39Å; A430-I434 WeakPolarHBondContact O-CG1 3.42Å; A430-I434 PolarHBondContact O-N 3Å; A430-I434 VanDerWaalsContact O-N 3.1Å
431	A	83.8	Confident	84.7	Confident	4 Å²	4	27.1 Å²	27.1	3%	0.033	17%	0.168	C	C	.	.	H	α-helix	trans	-59.3	-39.6	178.4	0	0	0	0	0	112.7	A427 L428 V902 M906	A427-A431 WeakPolarHBondContact O-CB 3.44Å; A427-A431 PolarHBondContact O-N 2.9Å; L428-A431 PolarHBondContact O-N 2.73Å; A431-V902 HydrophobicContact CB-CG1 3.64Å; A431-M906 HydrophobicContact CB-CE 3.71Å; A431-M906 HydrophobicContact CB-CG 4.45Å; A431-M906 HydrophobicContact CB-SD 4.38Å
432	M	81.2	Confident	85	Confident	16 Å²	16	28.4 Å²	28.4	8%	0.079	17%	0.173	C	C	.	.	H	α-helix	trans	-63.2	-42.8	175.9	-68.7	-63.6	-58.3	0	0	112.3	F376 L428 P429 A430 G435 V902 F903	F376-M432 HydrophobicContact CE1-CE 3.56Å; F376-M432 HydrophobicContact CZ-CE 3.45Å; F376-M432 VanDerWaalsContact CZ-CE 3.45Å; L428-M432 HydrophobicContact CD1-CG 4.03Å; L428-M432 HydrophobicContact CD1-SD 4.45Å; L428-M432 WeakPolarHBondContact O-CG 3.35Å; L428-M432 PolarHBondContact O-N 3.33Å; L428-M432 VanDerWaalsContact O-N 3.08Å; P429-M432 PolarHBondContact O-N 2.91Å; A430-M432 VanDerWaalsContact C-N 3.29Å; A430-M432 PolarHBondContact O-N 2.88Å; M432-G435 PolarHBondContact O-N 3.24Å; M432-V902 HydrophobicContact SD-CB 4.11Å; M432-V902 HydrophobicContact SD-CG1 3.96Å; M432-F903 HydrophobicContact SD-CB 4.13Å
433	T	82.4	Confident	85.2	Confident	71 Å²	71	27.6 Å²	27.6	44%	0.436	17%	0.169	S	C	.	.	H	α-helix	trans	-68.3	-37.2	-177.3	-55.3	0	0	0	0	111.8	P429 A430 G435 I436 I437	P429-T433 PolarHBondContact O-N 3.5Å; P429-T433 VanDerWaalsContact O-N 3.13Å; P429-T433 PolarHBondContact O-OG1 2.81Å; A430-T433 PolarHBondContact O-N 3.45Å; A430-T433 VanDerWaalsContact O-N 3.14Å; T433-G435 VanDerWaalsContact C-N 3.31Å; T433-G435 PolarHBondContact O-N 3.43Å; T433-I436 WeakPolarHBondContact O-CB 3.32Å; T433-I436 PolarHBondContact O-N 3.32Å; T433-I436 VanDerWaalsContact O-N 3.12Å; T433-I437 HydrophobicContact CG2-CD1 3.79Å; T433-I437 HydrophobicContact CG2-CG1 4.22Å; T433-I437 WeakPolarHBondContact O-CG1 3.4Å; T433-I437 PolarHBondContact O-N 3.49Å
434	I	84.5	Confident	85.5	Confident	46 Å²	46	33.4 Å²	33.4	24%	0.236	19%	0.194	C	C	.	.	H	α-helix	trans	-57.8	-41.8	179	-70	155.5	0	0	0	112.1	A430 I436 I437 A438 L945	A430-I434 WeakPolarHBondContact O-CD1 3.39Å; A430-I434 WeakPolarHBondContact O-CG1 3.42Å; A430-I434 PolarHBondContact O-N 3Å; A430-I434 VanDerWaalsContact O-N 3.1Å; I434-I436 VanDerWaalsContact C-N 3.32Å; I434-I436 PolarHBondContact O-N 3.3Å; I434-I437 PolarHBondContact O-N 3.12Å; I434-A438 WeakPolarHBondContact O-CB 3.29Å; I434-A438 PolarHBondContact O-N 2.97Å; I434-L945 HydrophobicContact CD1-CD2 3.55Å; I434-L945 HydrophobicContact CD1-CG 4.4Å; I434-L945 HydrophobicContact CG1-CD2 4.4Å
435	G	84.8	Confident	85.9	Confident	1 Å²	1	40.5 Å²	40.5	1%	0.01	22%	0.223	C	C	.	.	H	α-helix	trans	-64.1	-37	178	0	0	0	0	0	113.1	M432 T433 A439	M432-G435 PolarHBondContact O-N 3.24Å; T433-G435 VanDerWaalsContact C-N 3.31Å; T433-G435 PolarHBondContact O-N 3.43Å; G435-A439 PolarHBondContact O-N 2.84Å
436	I	88.2	Confident	86.4	Confident	8 Å²	8	45.3 Å²	45.3	4%	0.041	24%	0.241	C	C	.	.	H	α-helix	trans	-69.3	-47.3	177.4	-61.9	169.4	0	0	0	110.2	T433 I434 A438 A439 E440 P453 L456	T433-I436 WeakPolarHBondContact O-CB 3.32Å; T433-I436 PolarHBondContact O-N 3.32Å; T433-I436 VanDerWaalsContact O-N 3.12Å; I434-I436 VanDerWaalsContact C-N 3.32Å; I434-I436 PolarHBondContact O-N 3.3Å; I436-A438 VanDerWaalsContact C-N 3.28Å; I436-A438 PolarHBondContact O-N 3.03Å; I436-A439 PolarHBondContact O-N 2.97Å; I436-A439 VanDerWaalsContact O-N 3.09Å; I436-E440 PolarHBondContact O-N 2.7Å; I436-P453 HydrophobicContact CG2-CB 3.61Å; I436-P453 VanDerWaalsContact CG2-O 3.23Å; I436-P453 WeakPolarHBondContact CG2-O 3.45Å; I436-L456 HydrophobicContact CG2-CB 4.5Å; I436-L456 HydrophobicContact CG2-CD2 4.29Å
437	I	88	Confident	87.1	Confident	93 Å²	93	48.4 Å²	48.4	48%	0.477	26%	0.257	S	S	.	.	H	α-helix	trans	-59.7	-40.2	178.2	-68	170.4	0	0	0	111.1	T433 I434 A439 E440 S441	T433-I437 HydrophobicContact CG2-CD1 3.79Å; T433-I437 HydrophobicContact CG2-CG1 4.22Å; T433-I437 WeakPolarHBondContact O-CG1 3.4Å; T433-I437 PolarHBondContact O-N 3.49Å; I434-I437 PolarHBondContact O-N 3.12Å; I437-A439 VanDerWaalsContact C-N 3.33Å; I437-A439 PolarHBondContact O-N 3.35Å; I437-E440 PolarHBondContact O-N 2.8Å; I437-S441 WeakPolarHBondContact O-CB 3.41Å; I437-S441 PolarHBondContact O-N 3.17Å
438	A	89.4	Confident	87.7	Confident	19 Å²	19	47.1 Å²	47.1	16%	0.157	25%	0.246	C	C	.	.	H	α-helix	trans	-62.7	-40.5	176.4	0	0	0	0	0	112	I434 I436 R442 R949	I434-A438 WeakPolarHBondContact O-CB 3.29Å; I434-A438 PolarHBondContact O-N 2.97Å; I436-A438 VanDerWaalsContact C-N 3.28Å; I436-A438 PolarHBondContact O-N 3.03Å; A438-R442 WeakPolarHBondContact O-CG 3.21Å; A438-R442 PolarHBondContact O-N 3.18Å; A438-R949 HydrophobicContact CB-CG 4.39Å
439	A	91.9	Very high	88.1	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-70.2	-39.2	176.7	0	0	0	0	0	112.6	G435 I436 I437 S441 R442 L443 L456 A895	G435-A439 PolarHBondContact O-N 2.84Å; I436-A439 PolarHBondContact O-N 2.97Å; I436-A439 VanDerWaalsContact O-N 3.09Å; I437-A439 VanDerWaalsContact C-N 3.33Å; I437-A439 PolarHBondContact O-N 3.35Å; A439-S441 PolarHBondContact O-N 3.02Å; A439-R442 VanDerWaalsContact CA-NH2 3.32Å; A439-R442 VanDerWaalsContact CB-NH2 3.32Å; A439-R442 PolarHBondContact O-N 3.44Å; A439-L443 PolarHBondContact O-N 3.23Å; A439-L456 HydrophobicContact CB-CD2 3.46Å; A439-L456 VanDerWaalsContact CB-CD2 3.46Å; A439-A895 HydrophobicContact CB-CB 4.1Å
440	E	90.5	Very high	88.4	Confident	57 Å²	57	48.8 Å²	48.8	27%	0.266	25%	0.247	S	C	.	.	H	α-helix	trans	-58.9	-45.6	171.8	-178.6	-174	160.4	0	0	111.7	I436 I437 R442 L443 K444 C450	I436-E440 PolarHBondContact O-N 2.7Å; I437-E440 PolarHBondContact O-N 2.8Å; E440-R442 VanDerWaalsContact C-N 3.25Å; E440-R442 PolarHBondContact O-N 2.84Å; E440-L443 PolarHBondContact O-N 2.9Å; E440-L443 VanDerWaalsContact O-N 3.17Å; E440-K444 WeakPolarHBondContact O-CB 3.32Å; E440-K444 PolarHBondContact O-N 3.36Å; E440-C450 HydrophobicContact CG-CB 4.04Å
441	S	91.2	Very high	88.3	Confident	62 Å²	62	51 Å²	51	43%	0.434	25%	0.25	S	S	.	.	H	α-helix	trans	-59	-36.9	176.5	-175.4	0	0	0	0	112.2	I437 A439 K445	I437-S441 WeakPolarHBondContact O-CB 3.41Å; I437-S441 PolarHBondContact O-N 3.17Å; A439-S441 PolarHBondContact O-N 3.02Å; S441-K445 WeakPolarHBondContact O-CG 3.11Å; S441-K445 PolarHBondContact O-N 3.07Å
442	R	93.6	Very high	87.9	Confident	28 Å²	28	52.6 Å²	52.6	11%	0.106	26%	0.261	C	S	.	.	H	α-helix	trans	-69.9	-40.4	175.2	-69.1	-171.9	-58.9	-93.8	0.3	112.6	A438 A439 E440 K444 K445 R446 E891	A438-R442 WeakPolarHBondContact O-CG 3.21Å; A438-R442 PolarHBondContact O-N 3.18Å; A439-R442 VanDerWaalsContact CA-NH2 3.32Å; A439-R442 VanDerWaalsContact CB-NH2 3.32Å; A439-R442 PolarHBondContact O-N 3.44Å; E440-R442 VanDerWaalsContact C-N 3.25Å; E440-R442 PolarHBondContact O-N 2.84Å; R442-K444 VanDerWaalsContact C-N 3.35Å; R442-K445 WeakPolarHBondContact O-CB 3.22Å; R442-K445 PolarHBondContact O-N 3.2Å; R442-R446 PolarHBondContact O-N 2.87Å; R442-E891 IonicContact CZ-OE2 3.31Å; R442-E891 VanDerWaalsContact CZ-OE2 3.3Å; R442-E891 IonicContact NE-OE1 3.17Å; R442-E891 PolarHBondContact NE-OE1 3.09Å; R442-E891 VanDerWaalsContact NE-OE1 3.11Å; R442-E891 IonicContact NE-OE2 3.8Å; R442-E891 PolarHBondContact NE-OE2 3.39Å; R442-E891 IonicContact NH2-OE2 3.66Å; R442-E891 PolarHBondContact NH2-OE2 3.38Å
443	L	93.5	Very high	87.7	Confident	0 Å²	0	54.2 Å²	54.2	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-62.8	-42.1	173.3	-76.7	175.8	0	0	0	111.7	A439 E440 K445 R446 L447 V448 L456 F875 D887 V888 E891	A439-L443 PolarHBondContact O-N 3.23Å; E440-L443 PolarHBondContact O-N 2.9Å; E440-L443 VanDerWaalsContact O-N 3.17Å; L443-K445 VanDerWaalsContact C-N 3.26Å; L443-K445 PolarHBondContact O-N 3.5Å; L443-R446 CarbonylContact O-C 2.9Å; L443-R446 VanDerWaalsContact O-CA 3.3Å; L443-R446 WeakPolarHBondContact O-CA 3.24Å; L443-R446 WeakPolarHBondContact O-CB 3.49Å; L443-R446 PolarHBondContact O-N 2.9Å; L443-L447 PolarHBondContact O-N 3.35Å; L443-V448 CarbonylContact C-O 3.47Å; L443-V448 HydrophobicContact CB-CB 4.25Å; L443-V448 HydrophobicContact CD2-CB 4.34Å; L443-V448 HydrophobicContact CD2-CG1 4.47Å; L443-V448 PolarHBondContact O-N 3.46Å; L443-V448 VanDerWaalsContact O-O 3.12Å; L443-L456 HydrophobicContact CD1-CD1 3.52Å; L443-L456 HydrophobicContact CD1-CD2 4.48Å; L443-F875 HydrophobicContact CD1-CE1 4.17Å; L443-D887 HydrophobicContact CD2-CB 4.33Å; L443-V888 HydrophobicContact CD2-CG2 4.36Å; L443-E891 HydrophobicContact CD1-CB 4.31Å; L443-E891 HydrophobicContact CD2-CB 4.01Å; L443-E891 HydrophobicContact CD2-CG 3.87Å; L443-E891 HydrophobicContact CG-CB 4.05Å; L443-E891 HydrophobicContact CG-CG 4.04Å
444	K	91.9	Very high	87.4	Confident	122 Å²	122	57 Å²	57	53%	0.53	29%	0.285	S	S	.	.	H	α-helix	trans	-58.9	-38.4	176.6	-171.8	178.4	-179	178.2	0	112.1	E440 R442 R446 L447 V448 Y449	E440-K444 WeakPolarHBondContact O-CB 3.32Å; E440-K444 PolarHBondContact O-N 3.36Å; R442-K444 VanDerWaalsContact C-N 3.35Å; K444-R446 PolarHBondContact O-N 2.94Å; K444-L447 PolarHBondContact O-N 2.99Å; K444-V448 WeakPolarHBondContact CA-O 3.35Å; K444-V448 PolarHBondContact N-O 2.93Å; K444-V448 VanDerWaalsContact N-O 3.15Å; K444-Y449 HydrophobicContact CD-CE1 4.4Å; K444-Y449 HydrophobicContact CG-CD1 4.23Å; K444-Y449 HydrophobicContact CG-CE1 3.95Å
445	K	92.8	Very high	87.4	Confident	169 Å²	169	56 Å²	56	74%	0.735	28%	0.282	S	S	*	.	H	α-helix	trans	-64.3	-24.4	173.1	-70.1	176.6	-176.7	-175.2	0	113.2	S441 R442 L443 L447	S441-K445 WeakPolarHBondContact O-CG 3.11Å; S441-K445 PolarHBondContact O-N 3.07Å; R442-K445 WeakPolarHBondContact O-CB 3.22Å; R442-K445 PolarHBondContact O-N 3.2Å; L443-K445 VanDerWaalsContact C-N 3.26Å; L443-K445 PolarHBondContact O-N 3.5Å; K445-L447 VanDerWaalsContact C-N 3.3Å
446	R	91.9	Very high	87.5	Confident	105 Å²	105	56 Å²	56	40%	0.396	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.2	12.7	173.6	-62	177.2	176.5	-81.8	-9.4	112.9	R442 L443 K444 V448 D887 R890	R442-R446 PolarHBondContact O-N 2.87Å; L443-R446 CarbonylContact O-C 2.9Å; L443-R446 VanDerWaalsContact O-CA 3.3Å; L443-R446 WeakPolarHBondContact O-CA 3.24Å; L443-R446 WeakPolarHBondContact O-CB 3.49Å; L443-R446 PolarHBondContact O-N 2.9Å; K444-R446 PolarHBondContact O-N 2.94Å; R446-V448 PolarHBondContact O-N 3.02Å; R446-D887 IonicContact CZ-OD1 3.05Å; R446-D887 IonicContact NE-OD1 3.19Å; R446-D887 IonicContact NH1-OD1 2.6Å; R446-D887 PolarHBondContact NH1-OD1 2.84Å; R446-D887 IonicContact NH1-OD2 3.31Å; R446-R890 VanDerWaalsContact CZ-NH2 3.25Å; R446-R890 VanDerWaalsContact NH1-NH2 3.15Å
447	L	92.1	Very high	87.5	Confident	72 Å²	72	56.1 Å²	56.1	38%	0.377	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.2	23.6	-178.1	-51.3	174.8	0	0	0	114.3	L443 K444 K445 K878 K879	L443-L447 PolarHBondContact O-N 3.35Å; K444-L447 PolarHBondContact O-N 2.99Å; K445-L447 VanDerWaalsContact C-N 3.3Å; L447-K878 HydrophobicContact CB-CB 4.23Å; L447-K878 PolarHBondContact O-N 3.29Å; L447-K878 VanDerWaalsContact O-N 3.08Å; L447-K879 HydrophobicContact CD1-CG 4.44Å
448	V	92.2	Very high	87.4	Confident	1 Å²	1	52 Å²	52	1%	0.006	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	116.1	171.8	-177.7	0	0	0	0	108.6	L443 K444 R446 F875 T876 C884 V888	L443-V448 CarbonylContact C-O 3.47Å; L443-V448 HydrophobicContact CB-CB 4.25Å; L443-V448 HydrophobicContact CD2-CB 4.34Å; L443-V448 HydrophobicContact CD2-CG1 4.47Å; L443-V448 PolarHBondContact O-N 3.46Å; L443-V448 VanDerWaalsContact O-O 3.12Å; K444-V448 WeakPolarHBondContact CA-O 3.35Å; K444-V448 PolarHBondContact N-O 2.93Å; K444-V448 VanDerWaalsContact N-O 3.15Å; R446-V448 PolarHBondContact O-N 3.02Å; V448-F875 HydrophobicContact CG1-CB 4.38Å; V448-F875 HydrophobicContact CG1-CD1 4.34Å; V448-T876 WeakPolarHBondContact CA-O 3.41Å; V448-C884 HydrophobicContact CG2-CB 3.68Å; V448-V888 HydrophobicContact CG1-CG2 3.83Å
449	Y	88.7	Confident	87.5	Confident	80 Å²	80	51.1 Å²	51.1	31%	0.314	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	138.8	-179.4	-64	-98	0	0	0	109.5	K444 F875 T876 K878	K444-Y449 HydrophobicContact CD-CE1 4.4Å; K444-Y449 HydrophobicContact CG-CD1 4.23Å; K444-Y449 HydrophobicContact CG-CE1 3.95Å; Y449-F875 CarbonylContact O-C 3.56Å; Y449-F875 VanDerWaalsContact O-CA 3.25Å; Y449-F875 WeakPolarHBondContact O-CA 3.48Å; Y449-T876 PolarHBondContact N-O 3.11Å; Y449-T876 PolarHBondContact O-N 3.25Å; Y449-K878 HydrophobicContact CD2-CG 4.3Å; Y449-K878 HydrophobicContact CE2-CD 3.69Å; Y449-K878 HydrophobicContact CE2-CG 3.78Å
450	C	84.4	Confident	87.4	Confident	14 Å²	14	51.1 Å²	51.1	10%	0.095	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	126.3	177.3	-175.7	0	0	0	0	109	E440 S452 P874 F875	E440-C450 HydrophobicContact CG-CB 4.04Å; C450-S452 VanDerWaalsContact SG-C 3.55Å; C450-S452 PolarHBondContact SG-O 3Å; C450-S452 VanDerWaalsContact SG-O 3.42Å; C450-P874 CarbonylContact C-O 3.56Å; C450-P874 WeakPolarHBondContact CA-O 3.43Å; C450-F875 HydrophobicContact CB-CD1 3.95Å; C450-F875 HydrophobicContact CB-CE1 3.85Å; C450-F875 WeakPolarHBondContact SG-CE1 3.36Å
451	I	78	Confident	87.3	Confident	102 Å²	102	48.6 Å²	48.6	52%	0.523	24%	0.243	S	C	.	.	S	Bend	trans	-92	-29.9	177.1	-60.7	174.8	0	0	0	110.6	S870 P874	I451-S870 WeakPolarHBondContact CD1-O 3.29Å; I451-P874 PolarHBondContact N-O 3.32Å
452	S	74.2	Confident	87.4	Confident	39 Å²	39	45.7 Å²	45.7	27%	0.273	22%	0.223	S	C	.	.			trans	-121.9	93.1	-176.9	60.3	0	0	0	0	112	C450 N454 T455 P874	C450-S452 VanDerWaalsContact SG-C 3.55Å; C450-S452 PolarHBondContact SG-O 3Å; C450-S452 VanDerWaalsContact SG-O 3.42Å; S452-N454 PolarHBondContact O-N 3.42Å; S452-T455 PolarHBondContact O-N 2.99Å; S452-T455 PolarHBondContact O-OG1 3Å; S452-T455 WeakPolarHBondContact OG-CG2 3.41Å; S452-T455 PolarHBondContact OG-OG1 3.08Å; S452-P874 WeakPolarHBondContact OG-CB 2.94Å
453	P	77.1	Confident	87.4	Confident	50 Å²	50	45.6 Å²	45.6	33%	0.325	22%	0.224	S	C	.	.	H	α-helix	trans	-54.6	-34.5	-173.3	-28.7	35.2	0	0	0	114.7	I436 T455 L456	I436-P453 HydrophobicContact CG2-CB 3.61Å; I436-P453 VanDerWaalsContact CG2-O 3.23Å; I436-P453 WeakPolarHBondContact CG2-O 3.45Å; P453-T455 VanDerWaalsContact C-N 3.26Å; P453-T455 PolarHBondContact O-N 3.38Å; P453-L456 VanDerWaalsContact O-CB 3.25Å; P453-L456 WeakPolarHBondContact O-CB 3.21Å; P453-L456 PolarHBondContact O-N 3.37Å; P453-L456 VanDerWaalsContact O-N 3.15Å
454	N	77	Confident	87.5	Confident	130 Å²	130	45.6 Å²	45.6	70%	0.695	22%	0.224	S	C	*	.	H	α-helix	trans	-63.5	-25.5	-180	-69.7	-29	0	0	0	114.1	S452 L456	S452-N454 PolarHBondContact O-N 3.42Å; N454-L456 PolarHBondContact O-N 3.27Å
455	T	83.2	Confident	87.8	Confident	25 Å²	25	39.8 Å²	39.8	15%	0.153	20%	0.199	C	C	.	.	H	α-helix	trans	-70.6	-22.3	177.9	57.7	0	0	0	0	112	S452 P453 N457 T458 C459 P874	S452-T455 PolarHBondContact O-N 2.99Å; S452-T455 PolarHBondContact O-OG1 3Å; S452-T455 WeakPolarHBondContact OG-CG2 3.41Å; S452-T455 PolarHBondContact OG-OG1 3.08Å; P453-T455 VanDerWaalsContact C-N 3.26Å; P453-T455 PolarHBondContact O-N 3.38Å; T455-N457 VanDerWaalsContact C-N 3.33Å; T455-N457 PolarHBondContact O-N 3.46Å; T455-T458 WeakPolarHBondContact O-CA 3.2Å; T455-T458 WeakPolarHBondContact O-CB 3.34Å; T455-T458 PolarHBondContact O-N 3.44Å; T455-C459 PolarHBondContact O-N 3.48Å; T455-C459 PolarHBondContact O-SG 3.08Å; T455-C459 VanDerWaalsContact O-SG 3.34Å; T455-P874 HydrophobicContact CG2-CB 4Å; T455-P874 HydrophobicContact CG2-CG 4.47Å
456	L	88.4	Confident	88	Confident	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-60	-41.1	-180	-172	58.7	0	0	0	112.9	I436 A439 L443 P453 N454 T458 C459 F875 G892 A895	I436-L456 HydrophobicContact CG2-CB 4.5Å; I436-L456 HydrophobicContact CG2-CD2 4.29Å; A439-L456 HydrophobicContact CB-CD2 3.46Å; A439-L456 VanDerWaalsContact CB-CD2 3.46Å; L443-L456 HydrophobicContact CD1-CD1 3.52Å; L443-L456 HydrophobicContact CD1-CD2 4.48Å; P453-L456 VanDerWaalsContact O-CB 3.25Å; P453-L456 WeakPolarHBondContact O-CB 3.21Å; P453-L456 PolarHBondContact O-N 3.37Å; P453-L456 VanDerWaalsContact O-N 3.15Å; N454-L456 PolarHBondContact O-N 3.27Å; L456-T458 PolarHBondContact O-N 2.97Å; L456-C459 VanDerWaalsContact O-CB 3.3Å; L456-C459 WeakPolarHBondContact O-CB 3.46Å; L456-C459 PolarHBondContact O-N 3Å; L456-F875 HydrophobicContact CB-CZ 4.47Å; L456-F875 HydrophobicContact CD1-CE1 4.16Å; L456-F875 HydrophobicContact CD1-CZ 4.22Å; L456-G892 WeakPolarHBondContact O-CA 3.43Å; L456-A895 HydrophobicContact CD2-CB 4.24Å; L456-A895 HydrophobicContact CG-CB 4.07Å
457	N	87.8	Confident	88.2	Confident	10 Å²	10	26.7 Å²	26.7	5%	0.053	15%	0.145	C	C	.	.	H	α-helix	trans	-65.3	-31.5	174.1	-83.7	-16.6	0	0	0	112.3	T455 C459 G460 A895 L896 S899	T455-N457 VanDerWaalsContact C-N 3.33Å; T455-N457 PolarHBondContact O-N 3.46Å; N457-C459 VanDerWaalsContact C-N 3.28Å; N457-C459 PolarHBondContact O-N 2.9Å; N457-G460 PolarHBondContact O-N 3.05Å; N457-A895 WeakPolarHBondContact OD1-CB 3.49Å; N457-A895 PolarHBondContact OD1-O 3.42Å; N457-L896 HydrophobicContact CB-CD1 4.16Å; N457-L896 PolarHBondContact OD1-N 2.84Å; N457-S899 PolarHBondContact ND2-OG 3.06Å; N457-S899 PolarHBondContact OD1-OG 3.24Å
458	T	86.3	Confident	88.2	Confident	7 Å²	7	23.8 Å²	23.8	4%	0.043	13%	0.13	C	C	.	.	H	α-helix	trans	-67.9	-33.3	176.8	-48.6	0	0	0	0	110.7	V372 F374 T455 L456 G460 G461 T841 H859	V372-T458 HydrophobicContact CG1-CG2 4.26Å; F374-T458 HydrophobicContact CD2-CG2 3.95Å; F374-T458 HydrophobicContact CE2-CG2 4.12Å; T455-T458 WeakPolarHBondContact O-CA 3.2Å; T455-T458 WeakPolarHBondContact O-CB 3.34Å; T455-T458 PolarHBondContact O-N 3.44Å; L456-T458 PolarHBondContact O-N 2.97Å; T458-G460 PolarHBondContact O-N 3.21Å; T458-G460 VanDerWaalsContact O-N 3.1Å; T458-G461 PolarHBondContact O-N 2.87Å; T458-T841 HydrophobicContact CG2-CG2 4.26Å; T458-H859 HydrophobicContact CG2-CB 3.72Å
459	C	90.9	Very high	88	Confident	0 Å²	0	23.8 Å²	23.8	0%	0	13%	0.13	C	C	.	.	G	3₁₀ helix	trans	-59	-24	175	-59.2	0	0	0	0	113.3	T455 L456 N457 G461 I462 A860 F875 V888	T455-C459 PolarHBondContact O-N 3.48Å; T455-C459 PolarHBondContact O-SG 3.08Å; T455-C459 VanDerWaalsContact O-SG 3.34Å; L456-C459 VanDerWaalsContact O-CB 3.3Å; L456-C459 WeakPolarHBondContact O-CB 3.46Å; L456-C459 PolarHBondContact O-N 3Å; N457-C459 VanDerWaalsContact C-N 3.28Å; N457-C459 PolarHBondContact O-N 2.9Å; C459-G461 PolarHBondContact O-N 3.45Å; C459-I462 VanDerWaalsContact CA-CD1 3.46Å; C459-I462 HydrophobicContact CB-CD1 3.75Å; C459-I462 WeakPolarHBondContact O-CD1 3.5Å; C459-I462 WeakPolarHBondContact O-CG1 3.33Å; C459-I462 PolarHBondContact O-N 3.48Å; C459-A860 VanDerWaalsContact SG-CB 3.51Å; C459-F875 WeakPolarHBondContact SG-CE2 3.43Å; C459-F875 VanDerWaalsContact SG-CZ 3.6Å; C459-V888 HydrophobicContact CB-CG1 4.05Å; C459-V888 VanDerWaalsContact SG-CG1 3.58Å
460	G	89.3	Confident	87.8	Confident	0 Å²	0	22.5 Å²	22.5	0%	0	13%	0.131	C	C	.	.	G	3₁₀ helix	trans	-62.4	-27.2	174.4	0	0	0	0	0	114.2	N457 T458 G892 R893 P961	N457-G460 PolarHBondContact O-N 3.05Å; T458-G460 PolarHBondContact O-N 3.21Å; T458-G460 VanDerWaalsContact O-N 3.1Å; G460-G892 VanDerWaalsContact CA-C 3.48Å; G460-R893 WeakPolarHBondContact O-CG 3.19Å; G460-P961 WeakPolarHBondContact O-CD 3.36Å
461	G	89.7	Confident	87.6	Confident	5 Å²	5	22 Å²	22	5%	0.052	13%	0.127	C	C	.	.	G	3₁₀ helix	trans	-92.4	-2.9	-178.9	0	0	0	0	0	115.2	T458 C459 N463 T841	T458-G461 PolarHBondContact O-N 2.87Å; C459-G461 PolarHBondContact O-N 3.45Å; G461-N463 PolarHBondContact O-N 3.02Å; G461-T841 WeakPolarHBondContact O-CB 3.42Å; G461-T841 PolarHBondContact O-OG1 3.33Å
462	I	93.3	Very high	88.2	Confident	0 Å²	0	17.1 Å²	17.1	0%	0	10%	0.102	C	C	.	.			trans	-56.5	126.9	-174.7	-69.1	163.4	0	0	0	110.7	C459 V465 I707 T841 A843 A860 I889	C459-I462 VanDerWaalsContact CA-CD1 3.46Å; C459-I462 HydrophobicContact CB-CD1 3.75Å; C459-I462 WeakPolarHBondContact O-CD1 3.5Å; C459-I462 WeakPolarHBondContact O-CG1 3.33Å; C459-I462 PolarHBondContact O-N 3.48Å; I462-V465 HydrophobicContact CG2-CG2 4Å; I462-I707 HydrophobicContact CG2-CG2 4.31Å; I462-T841 WeakPolarHBondContact CA-O 3.43Å; I462-T841 HydrophobicContact CG1-CG2 4.17Å; I462-A843 HydrophobicContact CD1-CB 3.84Å; I462-A843 HydrophobicContact CG1-CB 4.23Å; I462-A843 HydrophobicContact CG2-CB 4.06Å; I462-A860 HydrophobicContact CD1-CB 3.86Å; I462-I889 HydrophobicContact CB-CG1 4.31Å; I462-I889 HydrophobicContact CD1-CG1 3.79Å; I462-I889 HydrophobicContact CG2-CD1 4.05Å; I462-I889 HydrophobicContact CG2-CG1 4.28Å
463	N	92.7	Very high	89	Confident	26 Å²	26	15.2 Å²	15.2	14%	0.139	9%	0.089	C	C	.	.			trans	-129.9	-8.4	177.2	61.1	1.2	0	0	0	113.1	G461 R708 Y840 T841	G461-N463 PolarHBondContact O-N 3.02Å; N463-R708 PolarHBondContact O-N 3.33Å; N463-Y840 WeakPolarHBondContact OD1-CD1 3.3Å; N463-T841 PolarHBondContact N-O 3.38Å; N463-T841 PolarHBondContact OD1-N 3.15Å; N463-T841 PolarHBondContact OD1-O 2.95Å
464	V	95.5	Very high	89.5	Confident	0 Å²	0	12.9 Å²	12.9	0%	0	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	138.2	169.6	66.1	0	0	0	0	110.7	R708 V710 Y840 T841 V842 A843	V464-R708 CarbonylContact C-O 3.56Å; V464-R708 VanDerWaalsContact CA-O 3.24Å; V464-R708 WeakPolarHBondContact CA-O 3.25Å; V464-R708 HydrophobicContact CB-CB 4.24Å; V464-R708 HydrophobicContact CG2-CB 4Å; V464-R708 HydrophobicContact CG2-CG 4.07Å; V464-V710 HydrophobicContact CG2-CG2 3.74Å; V464-Y840 HydrophobicContact CB-CD1 3.86Å; V464-Y840 HydrophobicContact CB-CE1 4.34Å; V464-Y840 HydrophobicContact CB-CG 4.43Å; V464-Y840 HydrophobicContact CG1-CD1 3.76Å; V464-Y840 HydrophobicContact CG1-CG 3.88Å; V464-T841 PolarHBondContact N-O 3.09Å; V464-V842 HydrophobicContact CG1-CB 4.08Å; V464-V842 HydrophobicContact CG1-CG1 4.17Å; V464-V842 HydrophobicContact CG1-CG2 3.74Å; V464-A843 PolarHBondContact O-N 3.02Å
465	V	97.4	Very high	89.9	Confident	0 Å²	0	10 Å²	10	0%	0	6%	0.056	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	123.1	172.8	-170.5	0	0	0	0	108.5	I462 F467 L702 I707 R708 S709 V710 A843 V885 I889	I462-V465 HydrophobicContact CG2-CG2 4Å; V465-F467 HydrophobicContact CB-CD2 4.43Å; V465-F467 HydrophobicContact CB-CE2 3.7Å; V465-F467 HydrophobicContact CB-CZ 3.98Å; V465-F467 HydrophobicContact CG1-CD1 4.42Å; V465-F467 HydrophobicContact CG1-CD2 4.07Å; V465-F467 HydrophobicContact CG1-CE1 3.89Å; V465-F467 HydrophobicContact CG1-CE2 3.48Å; V465-F467 VanDerWaalsContact CG1-CE2 3.48Å; V465-F467 HydrophobicContact CG1-CZ 3.38Å; V465-L702 HydrophobicContact CG2-CD1 4.32Å; V465-I707 HydrophobicContact CG2-CG2 3.76Å; V465-R708 PolarHBondContact N-O 3.35Å; V465-S709 CarbonylContact O-C 3.58Å; V465-S709 WeakPolarHBondContact O-CA 3.42Å; V465-V710 PolarHBondContact O-N 3.45Å; V465-A843 CarbonylContact C-O 3.58Å; V465-A843 WeakPolarHBondContact CA-O 3.38Å; V465-A843 HydrophobicContact CB-CB 4.47Å; V465-A843 HydrophobicContact CG1-CB 4.16Å; V465-A843 HydrophobicContact CG2-CB 4.18Å; V465-V885 HydrophobicContact CG1-CG1 4.06Å; V465-V885 HydrophobicContact CG2-CG1 4.12Å; V465-I889 HydrophobicContact CG2-CD1 4.16Å
466	C	97.3	Very high	89.3	Confident	0 Å²	0	14.3 Å²	14.3	0%	0	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	133.8	170.9	-59.2	0	0	0	0	108.8	V710 V712 A843 M844 C845	C466-V710 CarbonylContact C-O 3.48Å; C466-V710 VanDerWaalsContact CA-O 3.29Å; C466-V710 WeakPolarHBondContact CA-O 3.21Å; C466-V712 HydrophobicContact CB-CG2 4.07Å; C466-A843 PolarHBondContact N-O 3.21Å; C466-M844 HydrophobicContact CB-SD 3.46Å; C466-M844 WeakPolarHBondContact CB-SD 3.43Å; C466-M844 CarbonylContact O-C 3.22Å; C466-M844 WeakPolarHBondContact O-CA 3.45Å; C466-C845 PolarHBondContact O-N 3.46Å
467	F	96.3	Very high	88.3	Confident	0 Å²	0	16 Å²	16	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	131.9	179.3	-66.5	-83.6	0	0	0	109.5	V465 T472 L473 I699 L702 V710 V712 C845 I882 V885	V465-F467 HydrophobicContact CB-CD2 4.43Å; V465-F467 HydrophobicContact CB-CE2 3.7Å; V465-F467 HydrophobicContact CB-CZ 3.98Å; V465-F467 HydrophobicContact CG1-CD1 4.42Å; V465-F467 HydrophobicContact CG1-CD2 4.07Å; V465-F467 HydrophobicContact CG1-CE1 3.89Å; V465-F467 HydrophobicContact CG1-CE2 3.48Å; V465-F467 VanDerWaalsContact CG1-CE2 3.48Å; V465-F467 HydrophobicContact CG1-CZ 3.38Å; F467-T472 HydrophobicContact CD1-CG2 4.33Å; F467-L473 HydrophobicContact CB-CD1 3.85Å; F467-L473 HydrophobicContact CB-CD2 4.09Å; F467-L473 HydrophobicContact CB-CG 4.03Å; F467-L473 HydrophobicContact CD1-CD2 4.05Å; F467-L473 HydrophobicContact CG-CD2 4.07Å; F467-I699 HydrophobicContact CD2-CD1 4.11Å; F467-I699 HydrophobicContact CE2-CD1 3.62Å; F467-I699 HydrophobicContact CZ-CD1 3.96Å; F467-L702 HydrophobicContact CE2-CD1 4.03Å; F467-L702 HydrophobicContact CZ-CD1 3.73Å; F467-V710 PolarHBondContact N-O 2.95Å; F467-V712 PolarHBondContact O-N 2.77Å; F467-C845 HydrophobicContact CD1-CB 3.82Å; F467-C845 HydrophobicContact CE1-CB 4.05Å; F467-I882 HydrophobicContact CD1-CD1 4.42Å; F467-I882 HydrophobicContact CD1-CG2 3.99Å; F467-I882 HydrophobicContact CE1-CB 4.01Å; F467-I882 HydrophobicContact CE1-CD1 3.85Å; F467-I882 HydrophobicContact CE1-CG2 3.91Å; F467-I882 HydrophobicContact CZ-CD1 4.25Å; F467-V885 HydrophobicContact CE1-CG2 3.99Å; F467-V885 HydrophobicContact CZ-CG1 4.42Å; F467-V885 HydrophobicContact CZ-CG2 4.45Å
468	D	92.8	Very high	87.8	Confident	11 Å²	11	16.5 Å²	16.5	6%	0.059	10%	0.098	C	C	.	.			trans	-67.3	159.5	156.8	-166.4	68.6	0	0	0	110.1	T470 T472 L473 V712 K828 M844 C845	D468-T470 PolarHBondContact OD2-N 2.84Å; D468-T470 VanDerWaalsContact OD2-N 3.08Å; D468-T472 VanDerWaalsContact O-CB 3.25Å; D468-T472 WeakPolarHBondContact O-CB 3.25Å; D468-T472 VanDerWaalsContact O-CG2 3.3Å; D468-T472 WeakPolarHBondContact O-CG2 3.39Å; D468-L473 WeakPolarHBondContact O-CG 3.4Å; D468-V712 WeakPolarHBondContact CA-O 3.27Å; D468-V712 VanDerWaalsContact OD1-O 3.11Å; D468-K828 IonicContact OD1-NZ 2.97Å; D468-K828 PolarHBondContact OD1-NZ 3.28Å; D468-M844 HydrophobicContact CB-CE 4.39Å; D468-C845 PolarHBondContact N-O 3.38Å
469	K	88.8	Confident	87.4	Confident	0 Å²	0	18.6 Å²	18.6	0%	0	11%	0.109	C	C	.	.	S	Bend	trans	-91.7	-61.4	-178	179.5	-151.8	154.4	-166.7	0	111	T472 L473 T474 N689 M711 T713 D715 V723	K469-T472 PolarHBondContact O-N 3.23Å; K469-L473 PolarHBondContact O-N 3.47Å; K469-T474 HydrophobicContact CG-CG2 4.18Å; K469-T474 PolarHBondContact O-N 2.99Å; K469-T474 PolarHBondContact O-OG1 2.89Å; K469-N689 WeakPolarHBondContact CE-ND2 3.48Å; K469-N689 PolarHBondContact NZ-ND2 3.26Å; K469-M711 HydrophobicContact CB-CG 4.5Å; K469-M711 HydrophobicContact CB-SD 4.25Å; K469-M711 HydrophobicContact CG-SD 4.33Å; K469-T713 HydrophobicContact CB-CG2 4.38Å; K469-D715 HydrophobicContact CD-CB 4.36Å; K469-D715 VanDerWaalsContact CD-OD2 3.27Å; K469-D715 WeakPolarHBondContact CD-OD2 3.45Å; K469-D715 WeakPolarHBondContact CE-OD2 3.29Å; K469-D715 IonicContact NZ-OD2 2.9Å; K469-D715 PolarHBondContact NZ-OD2 3.13Å; K469-V723 HydrophobicContact CG-CG1 4.31Å
470	T	82.7	Confident	87	Confident	54 Å²	54	20 Å²	20	33%	0.331	12%	0.115	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.7	134	-168.4	-58.8	0	0	0	0	108.4	D468 T472 D715	D468-T470 PolarHBondContact OD2-N 2.84Å; D468-T470 VanDerWaalsContact OD2-N 3.08Å; T470-T472 PolarHBondContact O-N 3.09Å; T470-D715 PolarHBondContact OG1-OD2 3.39Å
471	G	81.2	Confident	86.6	Confident	2 Å²	2	21.6 Å²	21.6	2%	0.021	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.7	-6.6	-175.3	0	0	0	0	0	117	T474 D476 K692 D847	G471-T474 CarbonylContact C-O 3.6Å; G471-T474 VanDerWaalsContact CA-O 3.26Å; G471-T474 WeakPolarHBondContact CA-O 3.43Å; G471-T474 PolarHBondContact N-O 3.12Å; G471-D476 WeakPolarHBondContact CA-OD1 3.37Å; G471-K692 PolarHBondContact O-NZ 2.81Å; G471-D847 VanDerWaalsContact CA-OD2 3.23Å; G471-D847 WeakPolarHBondContact CA-OD2 3.42Å
472	T	89.6	Confident	86.2	Confident	0 Å²	0	21.5 Å²	21.5	0%	0	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100	-63.2	173.4	-65.7	0	0	0	0	111.5	F467 D468 K469 T470 G846 D847 L864 I882	F467-T472 HydrophobicContact CD1-CG2 4.33Å; D468-T472 VanDerWaalsContact O-CB 3.25Å; D468-T472 WeakPolarHBondContact O-CB 3.25Å; D468-T472 VanDerWaalsContact O-CG2 3.3Å; D468-T472 WeakPolarHBondContact O-CG2 3.39Å; K469-T472 PolarHBondContact O-N 3.23Å; T470-T472 PolarHBondContact O-N 3.09Å; T472-G846 WeakPolarHBondContact OG1-CA 3.37Å; T472-D847 PolarHBondContact OG1-N 2.91Å; T472-D847 PolarHBondContact OG1-OD1 3.1Å; T472-D847 VanDerWaalsContact OG1-OD1 3.09Å; T472-L864 HydrophobicContact CG2-CD1 3.95Å; T472-I882 HydrophobicContact CG2-CG2 3.88Å
473	L	91.8	Very high	85.6	Confident	0 Å²	0	22.3 Å²	22.3	0%	0	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91	-37.2	178.5	-65.4	172.5	0	0	0	112.1	F467 D468 K469 K692 T695 M711 I729 I882	F467-L473 HydrophobicContact CB-CD1 3.85Å; F467-L473 HydrophobicContact CB-CD2 4.09Å; F467-L473 HydrophobicContact CB-CG 4.03Å; F467-L473 HydrophobicContact CD1-CD2 4.05Å; F467-L473 HydrophobicContact CG-CD2 4.07Å; D468-L473 WeakPolarHBondContact O-CG 3.4Å; K469-L473 PolarHBondContact O-N 3.47Å; L473-K692 PolarHBondContact O-N 2.97Å; L473-T695 HydrophobicContact CB-CG2 4.1Å; L473-T695 HydrophobicContact CD2-CG2 3.49Å; L473-T695 VanDerWaalsContact CD2-CG2 3.49Å; L473-T695 HydrophobicContact CG-CG2 4.37Å; L473-T695 PolarHBondContact O-OG1 3.24Å; L473-M711 HydrophobicContact CD1-CE 3.53Å; L473-M711 HydrophobicContact CD1-CG 4.5Å; L473-I729 HydrophobicContact CD1-CD1 3.98Å; L473-I882 HydrophobicContact CD2-CD1 3.83Å; L473-I882 HydrophobicContact CD2-CG2 4.49Å
474	T	87.6	Confident	85	Confident	0 Å²	0	21.8 Å²	21.8	0%	0	13%	0.127	C	C	.	.	B	Isolated β-bridge	trans	-101.4	163	176	67.4	0	0	0	0	110.4	K469 G471 N689 R690 L691 K692 V723	K469-T474 HydrophobicContact CG-CG2 4.18Å; K469-T474 PolarHBondContact O-N 2.99Å; K469-T474 PolarHBondContact O-OG1 2.89Å; G471-T474 CarbonylContact C-O 3.6Å; G471-T474 VanDerWaalsContact CA-O 3.26Å; G471-T474 WeakPolarHBondContact CA-O 3.43Å; G471-T474 PolarHBondContact N-O 3.12Å; T474-N689 HydrophobicContact CG2-CB 4.04Å; T474-R690 CarbonylContact C-O 3.51Å; T474-R690 VanDerWaalsContact CA-O 3.24Å; T474-R690 WeakPolarHBondContact CA-O 3.29Å; T474-R690 VanDerWaalsContact CB-O 3.31Å; T474-R690 WeakPolarHBondContact CB-O 3.14Å; T474-L691 HydrophobicContact CG2-CD2 4.12Å; T474-K692 WeakPolarHBondContact O-CE 3.25Å; T474-V723 HydrophobicContact CG2-CG1 3.8Å; T474-V723 HydrophobicContact CG2-CG2 4.41Å
475	E	84.6	Confident	84.3	Confident	69 Å²	69	21.9 Å²	21.9	32%	0.322	13%	0.128	S	C	.	.			trans	-60.8	157.5	165.9	-63.4	175.1	179.7	0	0	110.6	G477 R690 K692	E475-G477 PolarHBondContact O-N 3.19Å; E475-R690 PolarHBondContact N-O 2.97Å; E475-K692 HydrophobicContact CG-CG 4.24Å
476	D	71.2	Confident	83	Confident	116 Å²	116	24.1 Å²	24.1	62%	0.62	14%	0.141	S	C	*	.	S	Bend	trans	-67.9	-20.9	-179.2	-56.9	-4.5	0	0	0	112.2	G471	G471-D476 WeakPolarHBondContact CA-OD1 3.37Å
477	G	68.1	Low	81.1	Confident	35 Å²	35	27 Å²	27	36%	0.361	16%	0.162	S	C	.	.	S	Bend	trans	-93.5	163.1	-174.8	0	0	0	0	0	114.9	E475	E475-G477 PolarHBondContact O-N 3.19Å
478	L	76.1	Confident	79	Confident	22 Å²	22	29.2 Å²	29.2	12%	0.115	17%	0.172	C	C	.	.			trans	-105.5	129.2	169	-80.2	141.3	0	0	0	109.1	L547 V550 R651 M687 N689	L478-L547 HydrophobicContact CD1-CB 4.11Å; L478-V550 WeakPolarHBondContact O-CG2 3.46Å; L478-R651 VanDerWaalsContact CD2-CD 3.47Å; L478-M687 HydrophobicContact CD2-CB 4.18Å; L478-M687 HydrophobicContact CD2-SD 4.29Å; L478-N689 WeakPolarHBondContact CD2-OD1 3.42Å
479	N	79.3	Confident	77	Confident	51 Å²	51	30.5 Å²	30.5	27%	0.273	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	118.8	173.9	-71.1	-38.4	0	0	0	109.4	L481 M687 D688	N479-L481 PolarHBondContact O-N 3.43Å; N479-M687 CarbonylContact O-C 3.49Å; N479-M687 WeakPolarHBondContact O-CA 3.39Å; N479-M687 WeakPolarHBondContact O-CB 3.19Å; N479-D688 PolarHBondContact N-O 3.36Å; N479-D688 PolarHBondContact O-N 3.08Å
480	F	82.1	Confident	75.1	Confident	30 Å²	30	38 Å²	38	13%	0.132	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	122.3	169.3	-174.1	-102.7	0	0	0	109.6	G482 A483 F509 M529 V550 Q554 L685 M687	F480-G482 VanDerWaalsContact CZ-C 3.43Å; F480-A483 HydrophobicContact CZ-CB 4.32Å; F480-F509 HydrophobicContact CE1-CD2 4.32Å; F480-F509 HydrophobicContact CE1-CE2 4.16Å; F480-F509 HydrophobicContact CZ-CE2 4.27Å; F480-M529 HydrophobicContact CE2-CE 4.05Å; F480-M529 HydrophobicContact CZ-CE 4.05Å; F480-V550 HydrophobicContact CB-CG1 3.63Å; F480-Q554 HydrophobicContact CB-CG 3.85Å; F480-Q554 HydrophobicContact CD1-CB 4.26Å; F480-Q554 HydrophobicContact CD1-CG 3.76Å; F480-Q554 HydrophobicContact CD2-CG 4.48Å; F480-Q554 HydrophobicContact CE1-CB 4.45Å; F480-Q554 HydrophobicContact CE1-CG 4.42Å; F480-Q554 HydrophobicContact CG-CB 4.45Å; F480-Q554 HydrophobicContact CG-CG 3.78Å; F480-L685 HydrophobicContact CE2-CB 4.42Å; F480-L685 HydrophobicContact CE2-CD2 3.92Å; F480-L685 HydrophobicContact CZ-CD2 4.3Å; F480-M687 HydrophobicContact CD2-CG 4.36Å
481	L	79.8	Confident	73.4	Confident	33 Å²	33	42.6 Å²	42.6	17%	0.173	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	-40.4	176.1	-58.1	178.7	0	0	0	111.6	N479 F505 Y650 V686 D688	N479-L481 PolarHBondContact O-N 3.43Å; L481-F505 HydrophobicContact CB-CE1 4.13Å; L481-F505 HydrophobicContact CB-CZ 4.47Å; L481-F505 HydrophobicContact CD1-CZ 4.42Å; L481-F505 HydrophobicContact CD2-CE1 3.82Å; L481-F505 HydrophobicContact CD2-CZ 4.4Å; L481-F505 HydrophobicContact CG-CE1 4.39Å; L481-Y650 HydrophobicContact CD1-CD1 3.33Å; L481-Y650 HydrophobicContact CD1-CE1 3.23Å; L481-Y650 HydrophobicContact CD1-CG 4.1Å; L481-V686 HydrophobicContact CB-CG1 4.49Å; L481-V686 WeakPolarHBondContact CB-O 3.43Å; L481-V686 HydrophobicContact CD1-CG1 4.08Å; L481-V686 PolarHBondContact N-O 3.49Å; L481-D688 HydrophobicContact CD1-CB 3.86Å; L481-D688 HydrophobicContact CD2-CB 4.13Å; L481-D688 HydrophobicContact CG-CB 4.12Å
482	G	81.9	Confident	71.7	Confident	2 Å²	2	44.3 Å²	44.3	2%	0.021	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	167.2	177.9	-179.9	0	0	0	0	0	113.7	F480 V686	F480-G482 VanDerWaalsContact CZ-C 3.43Å; G482-V686 PolarHBondContact N-O 2.93Å; G482-V686 PolarHBondContact O-N 2.84Å
483	A	81.7	Confident	69.8	Low	18 Å²	18	53.8 Å²	53.8	15%	0.149	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	143.9	174.4	0	0	0	0	0	110.6	F480 I525 L684 L685	F480-A483 HydrophobicContact CZ-CB 4.32Å; A483-I525 HydrophobicContact CB-CG2 4.07Å; A483-L684 CarbonylContact C-O 3.59Å; A483-L684 WeakPolarHBondContact CA-O 3.44Å; A483-L685 HydrophobicContact CB-CD2 3.67Å
484	V	80.5	Confident	67.7	Low	14 Å²	14	64.8 Å²	64.8	9%	0.085	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	102.8	176.1	-175.1	0	0	0	0	108.5	I504 F645 G683 L684 V686	V484-I504 HydrophobicContact CG2-CD1 4.24Å; V484-F645 HydrophobicContact CG2-CE2 3.78Å; V484-F645 HydrophobicContact CG2-CZ 3.75Å; V484-G683 CarbonylContact O-C 3.51Å; V484-G683 WeakPolarHBondContact O-CA 3.36Å; V484-L684 HydrophobicContact CB-CB 4.39Å; V484-L684 PolarHBondContact N-O 3Å; V484-L684 PolarHBondContact O-N 2.67Å; V484-V686 HydrophobicContact CG2-CG2 4.36Å
485	S	79	Confident	65.7	Low	3 Å²	3	69.8 Å²	69.8	2%	0.021	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	158.2	176.9	-175.6	0	0	0	0	112.8	S487 R489	S485-S487 PolarHBondContact OG-N 3.17Å; S485-R489 PolarHBondContact O-NE 3.29Å
486	V	70.5	Confident	63.9	Low	47 Å²	47	68.7 Å²	68.7	29%	0.285	36%	0.358	S	S	.	.	S	Bend	trans	-71.7	-42.3	170.9	177.6	0	0	0	0	111	F681 L682	V486-F681 HydrophobicContact CG2-CD1 3.56Å; V486-F681 HydrophobicContact CG2-CE1 3.87Å; V486-L682 PolarHBondContact N-O 3.46Å
487	S	57.3	Low	62.7	Low	61 Å²	61	69.8 Å²	69.8	43%	0.427	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-37.2	-171.3	-52.1	0	0	0	0	114.9	S485 R489 L490 A521	S485-S487 PolarHBondContact OG-N 3.17Å; S487-R489 PolarHBondContact O-N 3.49Å; S487-L490 PolarHBondContact O-N 3.01Å; S487-A521 WeakPolarHBondContact OG-CB 3.25Å
488	E	52.8	Low	61.7	Low	45 Å²	45	76.7 Å²	76.7	21%	0.21	38%	0.376	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-14.2	-179.1	-66	176	164.7	0	0	112.1	L492 R507	E488-L492 VanDerWaalsContact O-CD1 3.29Å; E488-L492 WeakPolarHBondContact O-CD1 3.13Å; E488-L492 WeakPolarHBondContact O-CG 3.41Å; E488-L492 PolarHBondContact O-N 3.5Å; E488-R507 IonicContact OE1-NH1 3.71Å; E488-R507 PolarHBondContact OE1-NH1 2.91Å
489	R	51.4	Low	60.4	Low	39 Å²	39	82 Å²	82	15%	0.147	40%	0.398	C	S	.	.	H	α-helix	trans	-78.2	-24	-178.8	-96.3	-170.6	-87.1	-166.2	-7.9	115.5	S485 S487 E491 L492 K493 D637 T641	S485-R489 PolarHBondContact O-NE 3.29Å; S487-R489 PolarHBondContact O-N 3.49Å; R489-E491 PolarHBondContact O-N 3.01Å; R489-L492 HydrophobicContact CG-CD1 4.39Å; R489-L492 PolarHBondContact O-N 3.37Å; R489-K493 PolarHBondContact O-N 2.61Å; R489-D637 IonicContact NH1-OD1 3.14Å; R489-D637 PolarHBondContact NH1-OD1 3.35Å; R489-D637 IonicContact NH1-OD2 2.66Å; R489-D637 PolarHBondContact NH1-OD2 3.03Å; R489-T641 PolarHBondContact NH1-OG1 2.76Å
490	L	47.7	Very low	58.8	Low	157 Å²	157	81.1 Å²	81.1	82%	0.822	39%	0.393	S	S	*	.	H	α-helix	trans	-63.7	-31.3	174.9	-93.8	152.6	0	0	0	111.4	S487	S487-L490 PolarHBondContact O-N 3.01Å
491	E	47.1	Very low	57	Low	151 Å²	151	83.1 Å²	83.1	71%	0.706	40%	0.4	S	S	*	.	H	α-helix	trans	-82.6	-33.4	174.1	-64	-167.2	150.8	0	0	113.1	R489 K493 R494	R489-E491 PolarHBondContact O-N 3.01Å; E491-K493 PolarHBondContact O-N 3.45Å; E491-R494 PolarHBondContact O-N 2.85Å
492	L	46.8	Very low	55.4	Low	37 Å²	37	83.7 Å²	83.7	19%	0.194	41%	0.414	C	S	.	.	H	α-helix	trans	-71.3	-19.7	-175.3	-80.2	157.6	0	0	0	115.5	E488 R489 R494 L495 L500 F503	E488-L492 VanDerWaalsContact O-CD1 3.29Å; E488-L492 WeakPolarHBondContact O-CD1 3.13Å; E488-L492 WeakPolarHBondContact O-CG 3.41Å; E488-L492 PolarHBondContact O-N 3.5Å; R489-L492 HydrophobicContact CG-CD1 4.39Å; R489-L492 PolarHBondContact O-N 3.37Å; L492-R494 PolarHBondContact O-N 2.95Å; L492-L495 PolarHBondContact O-N 2.96Å; L492-L500 HydrophobicContact CD1-CD1 3.82Å; L492-L500 HydrophobicContact CD2-CD1 3.88Å; L492-L500 HydrophobicContact CG-CD1 4.38Å; L492-F503 HydrophobicContact CD2-CD1 4.45Å
493	K	47.9	Very low	53.7	Low	200 Å²	200	88 Å²	88	87%	0.87	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.9	-18.9	171.9	-95.3	-174.9	178.1	176.7	0	113	R489 E491	R489-K493 PolarHBondContact O-N 2.61Å; E491-K493 PolarHBondContact O-N 3.45Å
494	R	47.8	Very low	52.1	Low	231 Å²	231	88 Å²	88	87%	0.872	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.9	-20.2	-179.6	-72.7	-177.9	168.6	147.7	-2.6	115.7	E491 L492	E491-R494 PolarHBondContact O-N 2.85Å; L492-R494 PolarHBondContact O-N 2.95Å
495	L	45.4	Very low	50.5	Low	104 Å²	104	91.9 Å²	91.9	55%	0.545	45%	0.446	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.7	-5.7	-160.3	-83.1	152.6	0	0	0	117	L492 K499	L492-L495 PolarHBondContact O-N 2.96Å; L495-K499 HydrophobicContact CD2-CD 4.13Å
496	G	46.7	Very low	48.7	Very low	47 Å²	47	95.6 Å²	95.6	49%	0.485	47%	0.472	S	S	.	.			trans	76.7	156.8	173.5	0	0	0	0	0	115.8	Q498 K499 L500	G496-Q498 PolarHBondContact O-N 2.96Å; G496-K499 PolarHBondContact O-N 3.19Å; G496-L500 PolarHBondContact O-N 2.88Å
497	W	46.5	Very low	47.4	Very low	138 Å²	138	95.8 Å²	95.8	52%	0.523	47%	0.467	S	S	.	.	H	α-helix	trans	-69.9	-31.8	-163.6	-102.3	97.3	0	0	0	116.5	K499 L500 Y501	W497-K499 VanDerWaalsContact C-N 3.27Å; W497-K499 PolarHBondContact O-N 3.37Å; W497-L500 HydrophobicContact CD2-CD2 3.94Å; W497-L500 HydrophobicContact CE3-CD2 3.67Å; W497-L500 HydrophobicContact CH2-CD2 3.79Å; W497-L500 HydrophobicContact CZ2-CD2 4.05Å; W497-L500 HydrophobicContact CZ3-CD2 3.59Å; W497-L500 WeakPolarHBondContact O-CB 3.4Å; W497-L500 PolarHBondContact O-N 2.9Å; W497-Y501 PolarHBondContact O-N 3.13Å
498	Q	47.3	Very low	46.5	Very low	180 Å²	180	97.1 Å²	97.1	84%	0.841	47%	0.473	S	S	*	.	H	α-helix	trans	-64.8	-32.7	176.9	-80	109.5	-12.5	0	0	112.2	G496 G502	G496-Q498 PolarHBondContact O-N 2.96Å; Q498-G502 PolarHBondContact O-N 3.2Å
499	K	48.8	Very low	46.3	Very low	135 Å²	135	96.9 Å²	96.9	59%	0.587	47%	0.472	S	S	*	.	H	α-helix	trans	-76.6	-32.6	174.5	-75.9	-174.8	177.3	-178.1	0	112.4	L495 G496 W497 Y501 G502 F503	L495-K499 HydrophobicContact CD2-CD 4.13Å; G496-K499 PolarHBondContact O-N 3.19Å; W497-K499 VanDerWaalsContact C-N 3.27Å; W497-K499 PolarHBondContact O-N 3.37Å; K499-Y501 VanDerWaalsContact C-N 3.27Å; K499-Y501 PolarHBondContact O-N 3.4Å; K499-G502 CarbonylContact O-C 3.57Å; K499-G502 PolarHBondContact O-N 3.43Å; K499-F503 WeakPolarHBondContact O-CB 3.21Å; K499-F503 PolarHBondContact O-N 3.24Å
500	L	45.4	Very low	45.4	Very low	31 Å²	31	100 Å²	100	16%	0.162	49%	0.491	C	S	.	.	H	α-helix	trans	-56.7	-40.6	173.2	-177	71.4	0	0	0	111.8	L492 G496 W497 F503 I504	L492-L500 HydrophobicContact CD1-CD1 3.82Å; L492-L500 HydrophobicContact CD2-CD1 3.88Å; L492-L500 HydrophobicContact CG-CD1 4.38Å; G496-L500 PolarHBondContact O-N 2.88Å; W497-L500 HydrophobicContact CD2-CD2 3.94Å; W497-L500 HydrophobicContact CE3-CD2 3.67Å; W497-L500 HydrophobicContact CH2-CD2 3.79Å; W497-L500 HydrophobicContact CZ2-CD2 4.05Å; W497-L500 HydrophobicContact CZ3-CD2 3.59Å; W497-L500 WeakPolarHBondContact O-CB 3.4Å; W497-L500 PolarHBondContact O-N 2.9Å; L500-F503 PolarHBondContact O-N 3.04Å; L500-I504 HydrophobicContact CD1-CD1 4.26Å; L500-I504 HydrophobicContact CG-CD1 4.01Å; L500-I504 VanDerWaalsContact O-CG1 3.25Å; L500-I504 WeakPolarHBondContact O-CG1 3.44Å; L500-I504 PolarHBondContact O-N 3.47Å
501	Y	44.4	Very low	44.8	Very low	73 Å²	73	95.9 Å²	95.9	29%	0.286	49%	0.487	S	S	.	.	H	α-helix	trans	-61.4	-57.9	172.3	-128.7	-111.4	0	0	0	110	W497 K499 F503 I504 F505 K648 Y650	W497-Y501 PolarHBondContact O-N 3.13Å; K499-Y501 VanDerWaalsContact C-N 3.27Å; K499-Y501 PolarHBondContact O-N 3.4Å; Y501-F503 PolarHBondContact O-N 3.47Å; Y501-F503 VanDerWaalsContact O-N 3.12Å; Y501-I504 PolarHBondContact O-N 2.99Å; Y501-F505 AromaticContact CD1-CD2 3.86Å; Y501-F505 HydrophobicContact CD1-CD2 3.86Å; Y501-F505 AromaticContact CD1-CE2 3.48Å; Y501-F505 HydrophobicContact CD1-CE2 3.48Å; Y501-F505 VanDerWaalsContact CD1-CE2 3.48Å; Y501-F505 HydrophobicContact CE1-CD2 4.25Å; Y501-F505 AromaticContact CE1-CE2 3.43Å; Y501-F505 HydrophobicContact CE1-CE2 3.43Å; Y501-F505 VanDerWaalsContact CE1-CE2 3.43Å; Y501-F505 HydrophobicContact CE1-CZ 4.18Å; Y501-F505 HydrophobicContact CG-CD2 4.35Å; Y501-F505 HydrophobicContact CG-CE2 4.11Å; Y501-F505 AromaticContact CZ-CE2 3.99Å; Y501-F505 WeakPolarHBondContact O-CD2 3.11Å; Y501-F505 PolarHBondContact O-N 2.94Å; Y501-F505 VanDerWaalsContact O-N 3.15Å; Y501-K648 PolarHBondContact OH-NZ 2.86Å; Y501-Y650 PolarHBondContact OH-OH 3.18Å
502	G	46.4	Very low	43.9	Very low	45 Å²	45	96.4 Å²	96.4	46%	0.464	50%	0.495	S	S	.	.	H	α-helix	trans	-54.3	-34.3	178.4	0	0	0	0	0	114.4	Q498 K499 S506	Q498-G502 PolarHBondContact O-N 3.2Å; K499-G502 CarbonylContact O-C 3.57Å; K499-G502 PolarHBondContact O-N 3.43Å; G502-S506 VanDerWaalsContact O-CB 3.28Å; G502-S506 WeakPolarHBondContact O-CB 3.46Å; G502-S506 PolarHBondContact O-N 3.25Å; G502-S506 PolarHBondContact O-OG 2.82Å
503	F	46.6	Very low	43.1	Very low	92 Å²	92	98.9 Å²	98.9	40%	0.404	51%	0.508	S	S	.	.	H	α-helix	trans	-77.5	-40.8	-177.9	-169.9	-96	0	0	0	113.3	L492 K499 L500 Y501 F505 S506	L492-F503 HydrophobicContact CD2-CD1 4.45Å; K499-F503 WeakPolarHBondContact O-CB 3.21Å; K499-F503 PolarHBondContact O-N 3.24Å; L500-F503 PolarHBondContact O-N 3.04Å; Y501-F503 PolarHBondContact O-N 3.47Å; Y501-F503 VanDerWaalsContact O-N 3.12Å; F503-F505 PolarHBondContact O-N 2.93Å; F503-S506 PolarHBondContact O-N 3.12Å; F503-S506 PolarHBondContact O-OG 2.64Å
504	I	48.3	Very low	42.4	Very low	18 Å²	18	98.5 Å²	98.5	9%	0.092	51%	0.509	C	S	.	.	H	α-helix	trans	-60.8	-36.7	171	-67.7	166.5	0	0	0	110	V484 L500 Y501 F645	V484-I504 HydrophobicContact CG2-CD1 4.24Å; L500-I504 HydrophobicContact CD1-CD1 4.26Å; L500-I504 HydrophobicContact CG-CD1 4.01Å; L500-I504 VanDerWaalsContact O-CG1 3.25Å; L500-I504 WeakPolarHBondContact O-CG1 3.44Å; L500-I504 PolarHBondContact O-N 3.47Å; Y501-I504 PolarHBondContact O-N 2.99Å; I504-F645 HydrophobicContact CD1-CE1 4.33Å; I504-F645 HydrophobicContact CD1-CZ 3.92Å
505	F	46.5	Very low	41.6	Very low	96 Å²	96	95.1 Å²	95.1	42%	0.421	51%	0.508	S	S	.	.	H	α-helix	trans	-83.4	-18.1	-179.3	-76.9	-72.9	0	0	0	114.9	L481 Y501 F503	L481-F505 HydrophobicContact CB-CE1 4.13Å; L481-F505 HydrophobicContact CB-CZ 4.47Å; L481-F505 HydrophobicContact CD1-CZ 4.42Å; L481-F505 HydrophobicContact CD2-CE1 3.82Å; L481-F505 HydrophobicContact CD2-CZ 4.4Å; L481-F505 HydrophobicContact CG-CE1 4.39Å; Y501-F505 AromaticContact CD1-CD2 3.86Å; Y501-F505 HydrophobicContact CD1-CD2 3.86Å; Y501-F505 AromaticContact CD1-CE2 3.48Å; Y501-F505 HydrophobicContact CD1-CE2 3.48Å; Y501-F505 VanDerWaalsContact CD1-CE2 3.48Å; Y501-F505 HydrophobicContact CE1-CD2 4.25Å; Y501-F505 AromaticContact CE1-CE2 3.43Å; Y501-F505 HydrophobicContact CE1-CE2 3.43Å; Y501-F505 VanDerWaalsContact CE1-CE2 3.43Å; Y501-F505 HydrophobicContact CE1-CZ 4.18Å; Y501-F505 HydrophobicContact CG-CD2 4.35Å; Y501-F505 HydrophobicContact CG-CE2 4.11Å; Y501-F505 AromaticContact CZ-CE2 3.99Å; Y501-F505 WeakPolarHBondContact O-CD2 3.11Å; Y501-F505 PolarHBondContact O-N 2.94Å; Y501-F505 VanDerWaalsContact O-N 3.15Å; F503-F505 PolarHBondContact O-N 2.93Å
506	S	40.9	Very low	40.9	Very low	81 Å²	81	94.1 Å²	94.1	57%	0.566	51%	0.506	S	S	*	.	H	α-helix	trans	-86.3	-16.2	-176.4	69.5	0	0	0	0	114.3	G502 F503 T508	G502-S506 VanDerWaalsContact O-CB 3.28Å; G502-S506 WeakPolarHBondContact O-CB 3.46Å; G502-S506 PolarHBondContact O-N 3.25Å; G502-S506 PolarHBondContact O-OG 2.82Å; F503-S506 PolarHBondContact O-N 3.12Å; F503-S506 PolarHBondContact O-OG 2.64Å; S506-T508 PolarHBondContact O-N 2.98Å
507	R	43.4	Very low	40.1	Very low	50 Å²	50	99 Å²	99	19%	0.189	52%	0.521	C	S	.	.			trans	-96.1	80.8	177.3	-118.5	-174.8	178.9	178.4	-1.4	110.7	E488	E488-R507 IonicContact OE1-NH1 3.71Å; E488-R507 PolarHBondContact OE1-NH1 2.91Å
508	T	39.3	Very low	39.6	Very low	90 Å²	90	100.6 Å²	100.6	55%	0.552	53%	0.532	S	S	*	.			trans	-66.8	124	144.2	18.1	0	0	0	0	106.6	S506 N510	S506-T508 PolarHBondContact O-N 2.98Å; T508-N510 PolarHBondContact O-N 3.39Å
509	F	46.9	Very low	38.9	Very low	40 Å²	40	100 Å²	100	18%	0.175	53%	0.526	C	S	.	.	S	Bend	trans	-67	17.8	177.5	-72.2	-86.7	0	0	0	113.5	F480 V526 Q554	F480-F509 HydrophobicContact CE1-CD2 4.32Å; F480-F509 HydrophobicContact CE1-CE2 4.16Å; F480-F509 HydrophobicContact CZ-CE2 4.27Å; F509-V526 HydrophobicContact CD1-CG2 4.13Å; F509-V526 HydrophobicContact CE1-CG2 3.85Å; F509-Q554 WeakPolarHBondContact CB-O 3.3Å
510	N	33.3	Very low	38.9	Very low	103 Å²	103	100 Å²	100	55%	0.551	53%	0.532	S	S	*	.	S	Bend	trans	-92.8	116.6	179.7	-73.3	-10.3	0	0	0	110.5	T508 D512	T508-N510 PolarHBondContact O-N 3.39Å; N510-D512 PolarHBondContact O-N 2.9Å
511	G	34.8	Very low	38.9	Very low	72 Å²	72	99.2 Å²	99.2	74%	0.742	53%	0.531	S	S	*	.	S	Bend	trans	86.7	-53.8	146.2	0	0	0	0	0	118.2
512	D	28	Very low	39.3	Very low	162 Å²	162	97.2 Å²	97.2	87%	0.866	53%	0.527	S	S	*	.			trans	-112.8	62	-159.8	-61.6	-23.5	0	0	0	113	N510	N510-D512 PolarHBondContact O-N 2.9Å
513	L	31	Very low	40.4	Very low	89 Å²	89	97.6 Å²	97.6	47%	0.466	52%	0.519	S	S	.	.			trans	-111.3	74.7	179.3	-82.7	155	0	0	0	111.3
514	E	32.8	Very low	42	Very low	192 Å²	192	93.5 Å²	93.5	90%	0.897	50%	0.503	S	S	*	.	S	Bend	trans	-89.1	-12.4	170.3	-79.6	-167.8	155.4	0	0	114.6
515	D	30.5	Very low	43.8	Very low	159 Å²	159	92.9 Å²	92.9	85%	0.85	50%	0.5	S	S	*	.	S	Bend	trans	-134.3	35	-166.6	-87	-31.4	0	0	0	117.5
516	V	31.2	Very low	45.7	Very low	84 Å²	84	89.3 Å²	89.3	51%	0.509	49%	0.486	S	S	.	.	S	Bend	trans	-130.9	111.6	165.9	-174.1	0	0	0	0	110.8	K518	V516-K518 PolarHBondContact O-N 3.18Å
517	D	30.9	Very low	47.9	Very low	149 Å²	149	87.8 Å²	87.8	80%	0.797	47%	0.467	S	S	*	.			trans	-34.8	119.1	174.4	-100.9	-43.5	0	0	0	113	K519	D517-K519 PolarHBondContact O-N 3.23Å
518	K	34.4	Very low	50.1	Low	172 Å²	172	85.4 Å²	85.4	75%	0.748	46%	0.458	S	S	*	.			trans	-68.2	31.8	-178.6	-77.6	-176.5	170.2	-177.2	0	114.8	V516	V516-K518 PolarHBondContact O-N 3.18Å
519	K	34.2	Very low	52.5	Low	167 Å²	167	81.1 Å²	81.1	73%	0.726	43%	0.432	S	S	*	.			trans	-106.7	101.4	-176.9	-76.3	-177.4	176.1	174.9	0	114	D517	D517-K519 PolarHBondContact O-N 3.23Å
520	D	48.7	Very low	54.5	Low	134 Å²	134	79.2 Å²	79.2	72%	0.717	42%	0.424	S	S	*	.	S	Bend	trans	101	-49.6	139.1	-55.7	-27.9	0	0	0	120.4
521	A	44.1	Very low	57.1	Low	15 Å²	15	74.3 Å²	74.3	12%	0.124	40%	0.398	C	S	.	.	S	Bend	trans	-110.8	-35.4	-172.1	0	0	0	0	0	117.4	S487 D523 G524 I525	S487-A521 WeakPolarHBondContact OG-CB 3.25Å; A521-D523 PolarHBondContact O-N 3.4Å; A521-G524 PolarHBondContact O-N 3.22Å; A521-G524 VanDerWaalsContact O-N 3.15Å; A521-I525 PolarHBondContact O-N 2.82Å
522	S	53	Low	59.7	Low	31 Å²	31	70.9 Å²	70.9	22%	0.217	36%	0.362	C	S	.	.	H	α-helix	trans	-59.1	-36	171.4	50.4	0	0	0	0	110.7	I525 V526	S522-I525 PolarHBondContact O-N 3.37Å; S522-V526 WeakPolarHBondContact O-CG2 3.42Å; S522-V526 PolarHBondContact O-N 3.28Å; S522-V526 VanDerWaalsContact O-N 3.11Å
523	D	69.5	Low	62.5	Low	53 Å²	53	63.2 Å²	63.2	28%	0.283	32%	0.321	S	S	.	.	H	α-helix	trans	-63.7	-38.5	175.4	-161.2	15.5	0	0	0	112.4	A521 R527	A521-D523 PolarHBondContact O-N 3.4Å; D523-R527 VanDerWaalsContact CG-NH2 3.25Å; D523-R527 WeakPolarHBondContact O-CB 3.28Å; D523-R527 VanDerWaalsContact O-CG 3.28Å; D523-R527 WeakPolarHBondContact O-CG 3.46Å; D523-R527 PolarHBondContact O-N 2.84Å; D523-R527 IonicContact OD1-CZ 3.82Å; D523-R527 IonicContact OD1-NE 3.74Å; D523-R527 IonicContact OD1-NH1 2.77Å; D523-R527 PolarHBondContact OD1-NH1 2.74Å; D523-R527 VanDerWaalsContact OD1-NH1 3.14Å; D523-R527 IonicContact OD1-NH2 2.79Å; D523-R527 PolarHBondContact OD1-NH2 2.99Å; D523-R527 IonicContact OD2-CZ 2.81Å; D523-R527 IonicContact OD2-NH1 3.14Å; D523-R527 PolarHBondContact OD2-NH1 3.24Å; D523-R527 IonicContact OD2-NH2 2.7Å; D523-R527 PolarHBondContact OD2-NH2 2.71Å
524	G	81.1	Confident	64.8	Low	7 Å²	7	60.1 Å²	60.1	7%	0.072	31%	0.307	C	S	.	.	H	α-helix	trans	-64.9	-38.9	174.1	0	0	0	0	0	113.6	A521 C528	A521-G524 PolarHBondContact O-N 3.22Å; A521-G524 VanDerWaalsContact O-N 3.15Å; G524-C528 VanDerWaalsContact O-CB 3.28Å; G524-C528 WeakPolarHBondContact O-CB 3.41Å; G524-C528 PolarHBondContact O-N 3.29Å
525	I	84.9	Confident	67.1	Low	4 Å²	4	51 Å²	51	2%	0.021	27%	0.265	C	S	.	.	H	α-helix	trans	-66	-48.2	176.4	-69.6	175.4	0	0	0	110.7	A483 A521 S522 C528 M529 L655 L682 L685	A483-I525 HydrophobicContact CB-CG2 4.07Å; A521-I525 PolarHBondContact O-N 2.82Å; S522-I525 PolarHBondContact O-N 3.37Å; I525-C528 WeakPolarHBondContact O-CB 3.34Å; I525-C528 PolarHBondContact O-N 3.14Å; I525-M529 HydrophobicContact CG2-CG 4.37Å; I525-M529 HydrophobicContact CG2-SD 3.84Å; I525-M529 WeakPolarHBondContact O-CG 3.4Å; I525-M529 PolarHBondContact O-N 2.97Å; I525-L655 HydrophobicContact CB-CD1 4.44Å; I525-L655 HydrophobicContact CG1-CD1 4.42Å; I525-L655 HydrophobicContact CG2-CD1 3.88Å; I525-L682 HydrophobicContact CG1-CB 4.16Å; I525-L685 HydrophobicContact CG2-CD2 4.26Å
526	V	86.3	Confident	69.2	Low	22 Å²	22	43.6 Å²	43.6	13%	0.133	23%	0.225	C	C	.	.	H	α-helix	trans	-62.7	-45.2	179.9	175.1	0	0	0	0	110.5	F509 S522 C528 M529 A530 W557	F509-V526 HydrophobicContact CD1-CG2 4.13Å; F509-V526 HydrophobicContact CE1-CG2 3.85Å; S522-V526 WeakPolarHBondContact O-CG2 3.42Å; S522-V526 PolarHBondContact O-N 3.28Å; S522-V526 VanDerWaalsContact O-N 3.11Å; V526-C528 VanDerWaalsContact C-N 3.3Å; V526-C528 PolarHBondContact O-N 3.38Å; V526-M529 PolarHBondContact O-N 3.46Å; V526-A530 VanDerWaalsContact O-CB 3.28Å; V526-A530 WeakPolarHBondContact O-CB 3.32Å; V526-A530 PolarHBondContact O-N 3.49Å; V526-W557 HydrophobicContact CG1-CZ2 4.49Å; V526-W557 VanDerWaalsContact CG1-NE1 3.33Å
527	R	87.5	Confident	71.4	Confident	48 Å²	48	46 Å²	46	18%	0.181	23%	0.225	C	C	.	.	H	α-helix	trans	-60.2	-38.4	174.3	-72.9	-171	-172	96.2	4.5	112.8	D523 S531 W557 I587 Y617	D523-R527 VanDerWaalsContact CG-NH2 3.25Å; D523-R527 WeakPolarHBondContact O-CB 3.28Å; D523-R527 VanDerWaalsContact O-CG 3.28Å; D523-R527 WeakPolarHBondContact O-CG 3.46Å; D523-R527 PolarHBondContact O-N 2.84Å; D523-R527 IonicContact OD1-CZ 3.82Å; D523-R527 IonicContact OD1-NE 3.74Å; D523-R527 IonicContact OD1-NH1 2.77Å; D523-R527 PolarHBondContact OD1-NH1 2.74Å; D523-R527 VanDerWaalsContact OD1-NH1 3.14Å; D523-R527 IonicContact OD1-NH2 2.79Å; D523-R527 PolarHBondContact OD1-NH2 2.99Å; D523-R527 IonicContact OD2-CZ 2.81Å; D523-R527 IonicContact OD2-NH1 3.14Å; D523-R527 PolarHBondContact OD2-NH1 3.24Å; D523-R527 IonicContact OD2-NH2 2.7Å; D523-R527 PolarHBondContact OD2-NH2 2.71Å; R527-S531 WeakPolarHBondContact O-CB 3.41Å; R527-S531 PolarHBondContact O-N 3.48Å; R527-S531 PolarHBondContact O-OG 2.88Å; R527-W557 HydrophobicContact CG-CH2 4.05Å; R527-W557 HydrophobicContact CG-CZ2 4.2Å; R527-I587 HydrophobicContact CB-CD1 4.13Å; R527-I587 HydrophobicContact CG-CD1 3.81Å; R527-Y617 HydrophobicContact CB-CE1 4.19Å; R527-Y617 HydrophobicContact CB-CE2 4.38Å; R527-Y617 WeakPolarHBondContact CB-OH 3.39Å; R527-Y617 WeakPolarHBondContact CD-OH 3.5Å
528	C	89.9	Confident	73.1	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-66.5	-44	174.8	-172.5	0	0	0	0	111.5	G524 I525 V526 A530 S531 C532 Y617 L655 L682	G524-C528 VanDerWaalsContact O-CB 3.28Å; G524-C528 WeakPolarHBondContact O-CB 3.41Å; G524-C528 PolarHBondContact O-N 3.29Å; I525-C528 WeakPolarHBondContact O-CB 3.34Å; I525-C528 PolarHBondContact O-N 3.14Å; V526-C528 VanDerWaalsContact C-N 3.3Å; V526-C528 PolarHBondContact O-N 3.38Å; C528-A530 VanDerWaalsContact C-N 3.32Å; C528-A530 PolarHBondContact O-N 3.26Å; C528-S531 PolarHBondContact O-N 3.17Å; C528-C532 WeakPolarHBondContact O-CA 3.47Å; C528-C532 WeakPolarHBondContact O-CB 3.25Å; C528-C532 PolarHBondContact O-N 3.32Å; C528-Y617 HydrophobicContact CB-CD1 3.62Å; C528-Y617 HydrophobicContact CB-CE1 4.25Å; C528-Y617 HydrophobicContact CB-CG 4.18Å; C528-L655 HydrophobicContact CB-CD1 4.34Å; C528-L682 HydrophobicContact CB-CD1 4.05Å
529	M	89.2	Confident	74.8	Confident	1 Å²	1	41.1 Å²	41.1	1%	0.005	21%	0.206	C	C	.	.	H	α-helix	trans	-63.1	-38.3	175.7	-71	173.8	61.5	0	0	112.6	F480 I525 V526 M551 Q554 L655 L685	F480-M529 HydrophobicContact CE2-CE 4.05Å; F480-M529 HydrophobicContact CZ-CE 4.05Å; I525-M529 HydrophobicContact CG2-CG 4.37Å; I525-M529 HydrophobicContact CG2-SD 3.84Å; I525-M529 WeakPolarHBondContact O-CG 3.4Å; I525-M529 PolarHBondContact O-N 2.97Å; V526-M529 PolarHBondContact O-N 3.46Å; M529-M551 HydrophobicContact CB-CB 4.5Å; M529-M551 HydrophobicContact CB-CE 4.27Å; M529-M551 HydrophobicContact CE-CB 4.41Å; M529-M551 VanDerWaalsContact CE-O 3.27Å; M529-M551 WeakPolarHBondContact CE-O 3.42Å; M529-M551 HydrophobicContact CG-CE 4.07Å; M529-Q554 HydrophobicContact CE-CB 3.75Å; M529-L655 HydrophobicContact CG-CD1 4.41Å; M529-L685 HydrophobicContact CG-CD1 4.17Å; M529-L685 HydrophobicContact CG-CD2 4.22Å; M529-L685 HydrophobicContact SD-CD2 3.68Å
530	A	88.5	Confident	76.5	Confident	0 Å²	0	35.3 Å²	35.3	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-75.3	-30.8	179.9	0	0	0	0	0	113.3	V526 C528 H533 F552 W557 V578	V526-A530 VanDerWaalsContact O-CB 3.28Å; V526-A530 WeakPolarHBondContact O-CB 3.32Å; V526-A530 PolarHBondContact O-N 3.49Å; C528-A530 VanDerWaalsContact C-N 3.32Å; C528-A530 PolarHBondContact O-N 3.26Å; A530-H533 PolarHBondContact O-CD2 2.68Å; A530-H533 PolarHBondContact O-NE2 3.04Å; A530-F552 WeakPolarHBondContact O-CD2 3.23Å; A530-F552 VanDerWaalsContact O-CE2 3.27Å; A530-F552 WeakPolarHBondContact O-CE2 3.3Å; A530-W557 HydrophobicContact CB-CB 3.86Å; A530-W557 HydrophobicContact CB-CD2 3.55Å; A530-W557 HydrophobicContact CB-CE3 3.83Å; A530-W557 HydrophobicContact CB-CG 3.58Å; A530-V578 WeakPolarHBondContact O-CG1 3.41Å
531	S	88.2	Confident	78	Confident	0 Å²	0	36.5 Å²	36.5	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-109.8	-30.1	-174.1	64.4	0	0	0	0	114.8	R527 C528 H533 I589 Y617	R527-S531 WeakPolarHBondContact O-CB 3.41Å; R527-S531 PolarHBondContact O-N 3.48Å; R527-S531 PolarHBondContact O-OG 2.88Å; C528-S531 PolarHBondContact O-N 3.17Å; S531-H533 VanDerWaalsContact C-N 3.27Å; S531-H533 PolarHBondContact O-N 2.85Å; S531-I589 WeakPolarHBondContact O-CD1 3.42Å; S531-Y617 WeakPolarHBondContact OG-CD2 3.3Å
532	C	89.9	Confident	79.8	Confident	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.202	C	C	.	.	S	Bend	trans	-84.2	69.6	-176.8	-161.7	0	0	0	0	110.7	C528 V604 Y617 K619	C528-C532 WeakPolarHBondContact O-CA 3.47Å; C528-C532 WeakPolarHBondContact O-CB 3.25Å; C528-C532 PolarHBondContact O-N 3.32Å; C532-V604 HydrophobicContact CB-CG2 3.84Å; C532-Y617 PolarHBondContact SG-O 2.86Å; C532-Y617 VanDerWaalsContact SG-O 3.37Å; C532-K619 HydrophobicContact CB-CD 4.47Å; C532-K619 WeakPolarHBondContact O-CD 3.47Å; C532-K619 WeakPolarHBondContact O-CE 2.95Å; C532-K619 PolarHBondContact O-NZ 3.41Å
533	H	86.5	Confident	80.8	Confident	1 Å²	1	38.7 Å²	38.7	1%	0.005	20%	0.201	C	C	.	.			trans	-147.6	165.5	178.2	67.3	67.6	0	0	0	112.2	A530 S531 L535 D548 F552	A530-H533 PolarHBondContact O-CD2 2.68Å; A530-H533 PolarHBondContact O-NE2 3.04Å; S531-H533 VanDerWaalsContact C-N 3.27Å; S531-H533 PolarHBondContact O-N 2.85Å; H533-L535 HydrophobicContact CB-CD1 4.49Å; H533-L535 HydrophobicContact CB-CG 4.05Å; H533-L535 WeakPolarHBondContact ND1-CB 3.47Å; H533-L535 PolarHBondContact ND1-N 3.25Å; H533-L535 VanDerWaalsContact ND1-N 3.14Å; H533-D548 VanDerWaalsContact CA-OD2 3.3Å; H533-D548 WeakPolarHBondContact CA-OD2 3.47Å; H533-D548 HydrophobicContact CB-CB 3.97Å; H533-D548 WeakPolarHBondContact CB-OD2 3.06Å; H533-F552 AromaticContact CD2-CD2 3.43Å; H533-F552 VanDerWaalsContact CD2-CD2 3.43Å; H533-F552 WeakPolarHBondContact CD2-CD2 3.13Å; H533-F552 AromaticContact CD2-CE2 3.95Å; H533-F552 AromaticContact NE2-CD2 3.42Å; H533-F552 WeakPolarHBondContact NE2-CD2 3.25Å; H533-F552 AromaticContact NE2-CE2 3.44Å; H533-F552 WeakPolarHBondContact NE2-CE2 3.17Å
534	S	79.2	Confident	81	Confident	24 Å²	24	36.3 Å²	36.3	17%	0.168	19%	0.189	C	C	.	.			trans	-112.2	20.6	171.6	-66.2	0	0	0	0	112.8	D548 Q592	S534-D548 PolarHBondContact N-OD2 2.88Å; S534-Q592 PolarHBondContact OG-OE1 3.15Å
535	L	81.4	Confident	80.7	Confident	1 Å²	1	39.6 Å²	39.6	1%	0.005	21%	0.205	C	C	.	.			trans	-58.8	149.3	172.7	-55.4	179.8	0	0	0	112.6	H533 L542 D548 L549 F552 L559	H533-L535 HydrophobicContact CB-CD1 4.49Å; H533-L535 HydrophobicContact CB-CG 4.05Å; H533-L535 WeakPolarHBondContact ND1-CB 3.47Å; H533-L535 PolarHBondContact ND1-N 3.25Å; H533-L535 VanDerWaalsContact ND1-N 3.14Å; L535-L542 HydrophobicContact CB-CD2 4.17Å; L535-L542 HydrophobicContact CD1-CD2 4.17Å; L535-D548 HydrophobicContact CD1-CB 4.47Å; L535-D548 HydrophobicContact CD2-CB 3.55Å; L535-D548 HydrophobicContact CG-CB 3.88Å; L535-L549 HydrophobicContact CD1-CD2 4.21Å; L535-L549 HydrophobicContact CD2-CB 4.43Å; L535-L549 HydrophobicContact CD2-CD2 3.6Å; L535-L549 HydrophobicContact CD2-CG 3.66Å; L535-F552 HydrophobicContact CD1-CB 3.32Å; L535-F552 HydrophobicContact CD1-CD1 4Å; L535-F552 HydrophobicContact CD1-CD2 4.21Å; L535-F552 HydrophobicContact CD1-CG 3.58Å; L535-L559 HydrophobicContact CB-CD2 4.25Å
536	T	75.2	Confident	80.1	Confident	3 Å²	3	41.5 Å²	41.5	2%	0.018	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	166.1	175.5	56.3	0	0	0	0	110.5	M289 R339 V543 E561	M289-T536 HydrophobicContact CE-CG2 3.95Å; M289-T536 HydrophobicContact SD-CG2 4.49Å; R339-T536 VanDerWaalsContact NH2-CG2 3.33Å; T536-V543 PolarHBondContact N-O 3.15Å; T536-V543 PolarHBondContact O-N 3.3Å; T536-V543 PolarHBondContact OG1-O 3.46Å; T536-E561 WeakPolarHBondContact CA-OE1 3.46Å; T536-E561 WeakPolarHBondContact CB-OE1 3.46Å
537	R	76.8	Confident	79.8	Confident	134 Å²	134	41.1 Å²	41.1	51%	0.506	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	104.6	179	-156.8	173.9	-172.1	-173	-0.9	110.5	G540 K541 E561	R537-G540 PolarHBondContact NE-O 3.08Å; R537-G540 PolarHBondContact NH2-O 3.15Å; R537-K541 WeakPolarHBondContact CA-O 3.08Å; R537-E561 WeakPolarHBondContact CA-OE2 3.28Å; R537-E561 WeakPolarHBondContact CB-OE2 3.49Å; R537-E561 PolarHBondContact N-OE2 3.14Å
538	I	67.4	Low	79.7	Confident	54 Å²	54	39.1 Å²	39.1	28%	0.277	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	126	176	-54.6	177.9	0	0	0	107.8	P301 L336 G540 K541 V543	P301-I538 HydrophobicContact CG-CD1 4.47Å; L336-I538 HydrophobicContact CD1-CD1 3.72Å; I538-G540 PolarHBondContact O-N 3.23Å; I538-G540 VanDerWaalsContact O-N 3.09Å; I538-K541 PolarHBondContact N-O 3.17Å; I538-K541 PolarHBondContact O-N 3.42Å; I538-V543 HydrophobicContact CB-CG2 4.19Å; I538-V543 HydrophobicContact CD1-CB 4.4Å; I538-V543 HydrophobicContact CG1-CG2 4.47Å
539	D	68.5	Low	79.3	Confident	164 Å²	164	40.2 Å²	40.2	88%	0.877	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	48.7	38.9	-178.8	-58.6	-35.4	0	0	0	113.7	K541	D539-K541 PolarHBondContact O-N 3.26Å
540	G	71.6	Confident	79.1	Confident	46 Å²	46	41.6 Å²	41.6	47%	0.474	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.6	-8	-179.6	0	0	0	0	0	115.8	R537 I538	R537-G540 PolarHBondContact NE-O 3.08Å; R537-G540 PolarHBondContact NH2-O 3.15Å; I538-G540 PolarHBondContact O-N 3.23Å; I538-G540 VanDerWaalsContact O-N 3.09Å
541	K	79.3	Confident	79	Confident	159 Å²	159	41.6 Å²	41.6	69%	0.691	22%	0.222	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-95.2	141.5	176.7	-68.1	179.5	-178.6	173.2	0	111.4	R537 I538 D539 V543	R537-K541 WeakPolarHBondContact CA-O 3.08Å; I538-K541 PolarHBondContact N-O 3.17Å; I538-K541 PolarHBondContact O-N 3.42Å; D539-K541 PolarHBondContact O-N 3.26Å; K541-V543 HydrophobicContact CB-CG2 4.44Å; K541-V543 PolarHBondContact O-N 3.11Å
542	L	81	Confident	79	Confident	59 Å²	59	41.8 Å²	41.8	31%	0.309	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	123.2	169.9	-83.4	154.7	0	0	0	109.6	L535 L549 F552 L559	L535-L542 HydrophobicContact CB-CD2 4.17Å; L535-L542 HydrophobicContact CD1-CD2 4.17Å; L542-L549 HydrophobicContact CB-CD2 3.99Å; L542-F552 HydrophobicContact CD1-CD1 3.96Å; L542-F552 HydrophobicContact CD1-CE1 3.85Å; L542-F552 HydrophobicContact CD2-CD1 4.34Å; L542-F552 HydrophobicContact CD2-CE1 4.22Å; L542-L559 HydrophobicContact CD2-CB 3.96Å; L542-L559 HydrophobicContact CD2-CD2 3.49Å; L542-L559 VanDerWaalsContact CD2-CD2 3.49Å; L542-L559 HydrophobicContact CD2-CG 4.37Å
543	V	74.6	Confident	78.8	Confident	33 Å²	33	48.4 Å²	48.4	20%	0.2	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	136.1	-178.8	-167.1	0	0	0	0	109.4	M300 P301 T536 I538 K541	M300-V543 HydrophobicContact SD-CG1 4.36Å; P301-V543 HydrophobicContact CG-CG1 3.57Å; T536-V543 PolarHBondContact N-O 3.15Å; T536-V543 PolarHBondContact O-N 3.3Å; T536-V543 PolarHBondContact OG1-O 3.46Å; I538-V543 HydrophobicContact CB-CG2 4.19Å; I538-V543 HydrophobicContact CD1-CB 4.4Å; I538-V543 HydrophobicContact CG1-CG2 4.47Å; K541-V543 HydrophobicContact CB-CG2 4.44Å; K541-V543 PolarHBondContact O-N 3.11Å
544	G	73.2	Confident	78.7	Confident	3 Å²	3	50.4 Å²	50.4	3%	0.031	26%	0.261	C	S	.	.	S	Bend	trans	159.6	-167.7	178.2	0	0	0	0	0	111	M300 L549	M300-G544 WeakPolarHBondContact CB-O 3.45Å; M300-G544 WeakPolarHBondContact CG-O 3.37Å; G544-L549 VanDerWaalsContact O-CD1 3.3Å; G544-L549 WeakPolarHBondContact O-CD1 3.39Å
545	D	74.8	Confident	78.9	Confident	75 Å²	75	49.7 Å²	49.7	40%	0.401	26%	0.256	S	S	.	.			trans	-53.9	138.9	-175.5	-174.9	-77.1	0	0	0	112.6	L547 D548 L549	D545-L547 VanDerWaalsContact C-N 3.28Å; D545-L547 PolarHBondContact O-N 3.29Å; D545-L547 WeakPolarHBondContact OD1-CA 3.36Å; D545-L547 WeakPolarHBondContact OD1-CB 3.46Å; D545-L547 PolarHBondContact OD1-N 3.32Å; D545-D548 HydrophobicContact CB-CB 4.08Å; D545-D548 WeakPolarHBondContact O-CB 3.32Å; D545-D548 PolarHBondContact O-N 3.38Å; D545-D548 VanDerWaalsContact O-N 3.08Å; D545-L549 WeakPolarHBondContact O-CG 3.38Å; D545-L549 PolarHBondContact O-N 2.82Å
546	P	72.6	Confident	78.9	Confident	45 Å²	45	51.2 Å²	51.2	29%	0.292	27%	0.272	S	S	.	.	H	α-helix	trans	-58.5	-35.7	-178.9	-24.6	35.4	0	0	0	114	M300 L549 V550	M300-P546 HydrophobicContact CG-CG 4.14Å; P546-L549 PolarHBondContact O-N 3.27Å; P546-V550 WeakPolarHBondContact O-CB 3.26Å; P546-V550 WeakPolarHBondContact O-CG2 3.34Å; P546-V550 PolarHBondContact O-N 3.09Å
547	L	80	Confident	79.4	Confident	13 Å²	13	52.2 Å²	52.2	7%	0.068	28%	0.275	C	S	.	.	H	α-helix	trans	-66	-43.8	175.9	176.9	162.7	0	0	0	110.1	L478 D545 V550 M551 L653 M687	L478-L547 HydrophobicContact CD1-CB 4.11Å; D545-L547 VanDerWaalsContact C-N 3.28Å; D545-L547 PolarHBondContact O-N 3.29Å; D545-L547 WeakPolarHBondContact OD1-CA 3.36Å; D545-L547 WeakPolarHBondContact OD1-CB 3.46Å; D545-L547 PolarHBondContact OD1-N 3.32Å; L547-V550 PolarHBondContact O-N 3.24Å; L547-M551 HydrophobicContact CD2-CG 4.35Å; L547-M551 HydrophobicContact CD2-SD 3.39Å; L547-M551 WeakPolarHBondContact CD2-SD 3.4Å; L547-M551 HydrophobicContact CG-SD 4.35Å; L547-M551 WeakPolarHBondContact O-CB 3.27Å; L547-M551 VanDerWaalsContact O-CG 3.27Å; L547-M551 WeakPolarHBondContact O-CG 3.01Å; L547-M551 PolarHBondContact O-N 3.34Å; L547-L653 HydrophobicContact CD1-CD1 3.69Å; L547-L653 HydrophobicContact CD1-CD2 4.27Å; L547-L653 HydrophobicContact CD1-CG 4.44Å; L547-L653 HydrophobicContact CD2-CD1 3.77Å; L547-L653 HydrophobicContact CG-CD1 3.87Å; L547-M687 HydrophobicContact CD1-CE 4.17Å; L547-M687 HydrophobicContact CG-CE 4.3Å; L547-M687 HydrophobicContact CG-SD 4.37Å
548	D	84.8	Confident	79.9	Confident	7 Å²	7	49.9 Å²	49.9	4%	0.037	27%	0.271	C	S	.	.	H	α-helix	trans	-62.9	-44.3	175.9	-73.7	13.3	0	0	0	111.1	H533 S534 L535 D545 V550 M551 F552 K619	H533-D548 VanDerWaalsContact CA-OD2 3.3Å; H533-D548 WeakPolarHBondContact CA-OD2 3.47Å; H533-D548 HydrophobicContact CB-CB 3.97Å; H533-D548 WeakPolarHBondContact CB-OD2 3.06Å; S534-D548 PolarHBondContact N-OD2 2.88Å; L535-D548 HydrophobicContact CD1-CB 4.47Å; L535-D548 HydrophobicContact CD2-CB 3.55Å; L535-D548 HydrophobicContact CG-CB 3.88Å; D545-D548 HydrophobicContact CB-CB 4.08Å; D545-D548 WeakPolarHBondContact O-CB 3.32Å; D545-D548 PolarHBondContact O-N 3.38Å; D545-D548 VanDerWaalsContact O-N 3.08Å; D548-V550 PolarHBondContact O-N 3.34Å; D548-M551 PolarHBondContact O-N 3.22Å; D548-F552 VanDerWaalsContact O-CB 3.22Å; D548-F552 WeakPolarHBondContact O-CB 3.47Å; D548-F552 PolarHBondContact O-N 3.41Å; D548-K619 WeakPolarHBondContact OD1-CE 3.5Å; D548-K619 IonicContact OD1-NZ 3.86Å; D548-K619 PolarHBondContact OD1-NZ 2.78Å; D548-K619 IonicContact OD2-NZ 2.76Å
549	L	83.3	Confident	80.7	Confident	22 Å²	22	47.7 Å²	47.7	12%	0.115	26%	0.26	C	S	.	.	H	α-helix	trans	-61.6	-45.2	178.2	-76.6	172.8	0	0	0	111.4	M300 L535 L542 G544 D545 P546 K553	M300-L549 HydrophobicContact SD-CD1 4.17Å; L535-L549 HydrophobicContact CD1-CD2 4.21Å; L535-L549 HydrophobicContact CD2-CB 4.43Å; L535-L549 HydrophobicContact CD2-CD2 3.6Å; L535-L549 HydrophobicContact CD2-CG 3.66Å; L542-L549 HydrophobicContact CB-CD2 3.99Å; G544-L549 VanDerWaalsContact O-CD1 3.3Å; G544-L549 WeakPolarHBondContact O-CD1 3.39Å; D545-L549 WeakPolarHBondContact O-CG 3.38Å; D545-L549 PolarHBondContact O-N 2.82Å; P546-L549 PolarHBondContact O-N 3.27Å; L549-K553 VanDerWaalsContact O-CB 3.24Å; L549-K553 WeakPolarHBondContact O-CB 3.43Å; L549-K553 WeakPolarHBondContact O-CG 3.42Å; L549-K553 PolarHBondContact O-N 3.47Å
550	V	83.8	Confident	81.3	Confident	30 Å²	30	43.2 Å²	43.2	18%	0.182	23%	0.234	C	C	.	.	H	α-helix	trans	-65.3	-48.3	178.5	169	0	0	0	0	110.1	L478 F480 P546 L547 D548 F552 K553 Q554	L478-V550 WeakPolarHBondContact O-CG2 3.46Å; F480-V550 HydrophobicContact CB-CG1 3.63Å; P546-V550 WeakPolarHBondContact O-CB 3.26Å; P546-V550 WeakPolarHBondContact O-CG2 3.34Å; P546-V550 PolarHBondContact O-N 3.09Å; L547-V550 PolarHBondContact O-N 3.24Å; D548-V550 PolarHBondContact O-N 3.34Å; V550-F552 PolarHBondContact O-N 3.38Å; V550-K553 PolarHBondContact O-N 3.4Å; V550-Q554 HydrophobicContact CG1-CG 4.41Å; V550-Q554 WeakPolarHBondContact O-CB 3.49Å; V550-Q554 WeakPolarHBondContact O-CG 3.24Å; V550-Q554 PolarHBondContact O-N 2.93Å
551	M	86.6	Confident	81.3	Confident	1 Å²	1	43.4 Å²	43.4	1%	0.005	22%	0.222	C	C	.	.	H	α-helix	trans	-58.7	-47.7	177.1	-76.5	177.5	42.8	0	0	112.4	M529 L547 D548 Q554 S555 K619 L653 L685	M529-M551 HydrophobicContact CB-CB 4.5Å; M529-M551 HydrophobicContact CB-CE 4.27Å; M529-M551 HydrophobicContact CE-CB 4.41Å; M529-M551 VanDerWaalsContact CE-O 3.27Å; M529-M551 WeakPolarHBondContact CE-O 3.42Å; M529-M551 HydrophobicContact CG-CE 4.07Å; L547-M551 HydrophobicContact CD2-CG 4.35Å; L547-M551 HydrophobicContact CD2-SD 3.39Å; L547-M551 WeakPolarHBondContact CD2-SD 3.4Å; L547-M551 HydrophobicContact CG-SD 4.35Å; L547-M551 WeakPolarHBondContact O-CB 3.27Å; L547-M551 VanDerWaalsContact O-CG 3.27Å; L547-M551 WeakPolarHBondContact O-CG 3.01Å; L547-M551 PolarHBondContact O-N 3.34Å; D548-M551 PolarHBondContact O-N 3.22Å; M551-Q554 PolarHBondContact O-N 2.86Å; M551-S555 PolarHBondContact O-N 3.21Å; M551-K619 HydrophobicContact CE-CD 3.57Å; M551-K619 HydrophobicContact SD-CD 3.87Å; M551-L653 HydrophobicContact SD-CD1 4.1Å; M551-L685 HydrophobicContact CE-CD1 3.99Å; M551-L685 HydrophobicContact CG-CD1 3.96Å; M551-L685 HydrophobicContact SD-CD1 3.69Å
552	F	88.7	Confident	80.4	Confident	4 Å²	4	38.2 Å²	38.2	2%	0.018	21%	0.205	C	C	.	.	H	α-helix	trans	-67	-44.6	-178	-171.3	-94.7	0	0	0	111.6	A530 H533 L535 L542 D548 V550 Q554 S555 G556 W557 L559 V578	A530-F552 WeakPolarHBondContact O-CD2 3.23Å; A530-F552 VanDerWaalsContact O-CE2 3.27Å; A530-F552 WeakPolarHBondContact O-CE2 3.3Å; H533-F552 AromaticContact CD2-CD2 3.43Å; H533-F552 VanDerWaalsContact CD2-CD2 3.43Å; H533-F552 WeakPolarHBondContact CD2-CD2 3.13Å; H533-F552 AromaticContact CD2-CE2 3.95Å; H533-F552 AromaticContact NE2-CD2 3.42Å; H533-F552 WeakPolarHBondContact NE2-CD2 3.25Å; H533-F552 AromaticContact NE2-CE2 3.44Å; H533-F552 WeakPolarHBondContact NE2-CE2 3.17Å; L535-F552 HydrophobicContact CD1-CB 3.32Å; L535-F552 HydrophobicContact CD1-CD1 4Å; L535-F552 HydrophobicContact CD1-CD2 4.21Å; L535-F552 HydrophobicContact CD1-CG 3.58Å; L542-F552 HydrophobicContact CD1-CD1 3.96Å; L542-F552 HydrophobicContact CD1-CE1 3.85Å; L542-F552 HydrophobicContact CD2-CD1 4.34Å; L542-F552 HydrophobicContact CD2-CE1 4.22Å; D548-F552 VanDerWaalsContact O-CB 3.22Å; D548-F552 WeakPolarHBondContact O-CB 3.47Å; D548-F552 PolarHBondContact O-N 3.41Å; V550-F552 PolarHBondContact O-N 3.38Å; F552-Q554 VanDerWaalsContact C-N 3.27Å; F552-Q554 PolarHBondContact O-N 3.08Å; F552-S555 WeakPolarHBondContact O-CB 3.36Å; F552-S555 PolarHBondContact O-N 3.18Å; F552-S555 PolarHBondContact O-OG 2.9Å; F552-G556 PolarHBondContact O-N 3.45Å; F552-W557 WeakPolarHBondContact CE1-O 3.23Å; F552-W557 HydrophobicContact CE2-CB 4.48Å; F552-W557 HydrophobicContact CZ-CB 4.43Å; F552-W557 WeakPolarHBondContact CZ-O 3.18Å; F552-L559 HydrophobicContact CE1-CB 4.1Å; F552-L559 HydrophobicContact CE2-CB 4.41Å; F552-L559 HydrophobicContact CZ-CB 3.66Å; F552-V578 HydrophobicContact CE2-CG1 4.02Å
553	K	85.7	Confident	79	Confident	138 Å²	138	38 Å²	38	60%	0.6	21%	0.212	S	C	*	.	H	α-helix	trans	-59.1	-39.1	174	-76.3	176.3	-179.6	179.1	0	112.1	L549 V550 S555 G556	L549-K553 VanDerWaalsContact O-CB 3.24Å; L549-K553 WeakPolarHBondContact O-CB 3.43Å; L549-K553 WeakPolarHBondContact O-CG 3.42Å; L549-K553 PolarHBondContact O-N 3.47Å; V550-K553 PolarHBondContact O-N 3.4Å; K553-S555 VanDerWaalsContact C-N 3.3Å; K553-G556 PolarHBondContact O-N 3.43Å
554	Q	83.7	Confident	77.9	Confident	44 Å²	44	41.2 Å²	41.2	21%	0.206	23%	0.231	C	C	.	.	H	α-helix	trans	-73.2	-21	176.7	-67.6	-66	-30.3	0	0	112.9	F480 F509 M529 V550 M551 F552 G556	F480-Q554 HydrophobicContact CB-CG 3.85Å; F480-Q554 HydrophobicContact CD1-CB 4.26Å; F480-Q554 HydrophobicContact CD1-CG 3.76Å; F480-Q554 HydrophobicContact CD2-CG 4.48Å; F480-Q554 HydrophobicContact CE1-CB 4.45Å; F480-Q554 HydrophobicContact CE1-CG 4.42Å; F480-Q554 HydrophobicContact CG-CB 4.45Å; F480-Q554 HydrophobicContact CG-CG 3.78Å; F509-Q554 WeakPolarHBondContact CB-O 3.3Å; M529-Q554 HydrophobicContact CE-CB 3.75Å; V550-Q554 HydrophobicContact CG1-CG 4.41Å; V550-Q554 WeakPolarHBondContact O-CB 3.49Å; V550-Q554 WeakPolarHBondContact O-CG 3.24Å; V550-Q554 PolarHBondContact O-N 2.93Å; M551-Q554 PolarHBondContact O-N 2.86Å; F552-Q554 VanDerWaalsContact C-N 3.27Å; F552-Q554 PolarHBondContact O-N 3.08Å; Q554-G556 VanDerWaalsContact C-N 3.3Å
555	S	84	Confident	76.5	Confident	9 Å²	9	48.2 Å²	48.2	6%	0.063	27%	0.268	C	S	.	.	H	α-helix	trans	-70.4	-29.4	172.6	77.8	0	0	0	0	112.3	M551 F552 K553 W557	M551-S555 PolarHBondContact O-N 3.21Å; F552-S555 WeakPolarHBondContact O-CB 3.36Å; F552-S555 PolarHBondContact O-N 3.18Å; F552-S555 PolarHBondContact O-OG 2.9Å; K553-S555 VanDerWaalsContact C-N 3.3Å; S555-W557 VanDerWaalsContact C-N 3.25Å; S555-W557 PolarHBondContact O-N 3.5Å; S555-W557 PolarHBondContact OG-N 3.42Å
556	G	80.7	Confident	74.7	Confident	33 Å²	33	51.4 Å²	51.4	34%	0.34	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.9	-0	-174.3	0	0	0	0	0	114.9	F552 K553 Q554 P581	F552-G556 PolarHBondContact O-N 3.45Å; K553-G556 PolarHBondContact O-N 3.43Å; Q554-G556 VanDerWaalsContact C-N 3.3Å; G556-P581 WeakPolarHBondContact O-CG 3.37Å
557	W	87.1	Confident	73.3	Confident	23 Å²	23	53.2 Å²	53.2	9%	0.087	29%	0.291	C	S	.	.			trans	-78.9	162.1	-177.2	-71.1	41.5	0	0	0	111.8	V526 R527 A530 F552 S555 V578 N579 A580 C585 I587	V526-W557 HydrophobicContact CG1-CZ2 4.49Å; V526-W557 VanDerWaalsContact CG1-NE1 3.33Å; R527-W557 HydrophobicContact CG-CH2 4.05Å; R527-W557 HydrophobicContact CG-CZ2 4.2Å; A530-W557 HydrophobicContact CB-CB 3.86Å; A530-W557 HydrophobicContact CB-CD2 3.55Å; A530-W557 HydrophobicContact CB-CE3 3.83Å; A530-W557 HydrophobicContact CB-CG 3.58Å; F552-W557 WeakPolarHBondContact CE1-O 3.23Å; F552-W557 HydrophobicContact CE2-CB 4.48Å; F552-W557 HydrophobicContact CZ-CB 4.43Å; F552-W557 WeakPolarHBondContact CZ-O 3.18Å; S555-W557 VanDerWaalsContact C-N 3.25Å; S555-W557 PolarHBondContact O-N 3.5Å; S555-W557 PolarHBondContact OG-N 3.42Å; W557-V578 HydrophobicContact CE3-CB 4.27Å; W557-V578 HydrophobicContact CE3-CG2 4.14Å; W557-V578 HydrophobicContact CZ3-CG2 4.38Å; W557-N579 WeakPolarHBondContact CA-O 3.46Å; W557-N579 WeakPolarHBondContact CB-O 3.37Å; W557-N579 VanDerWaalsContact CE3-C 3.5Å; W557-A580 HydrophobicContact CD2-CB 4.28Å; W557-A580 HydrophobicContact CE3-CB 4.43Å; W557-A580 HydrophobicContact CH2-CB 4.13Å; W557-A580 HydrophobicContact CZ2-CB 3.97Å; W557-A580 HydrophobicContact CZ3-CB 4.34Å; W557-C585 HydrophobicContact CH2-CB 3.97Å; W557-I587 HydrophobicContact CH2-CD1 3.81Å; W557-I587 HydrophobicContact CH2-CG1 4.45Å; W557-I587 HydrophobicContact CZ3-CD1 3.7Å; W557-I587 HydrophobicContact CZ3-CG1 4.07Å
558	M	85.5	Confident	71.6	Confident	86 Å²	86	57 Å²	57	42%	0.424	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	137.8	178.8	-65.2	-171.8	-69.5	0	0	111.2	V578 N579	M558-V578 WeakPolarHBondContact O-CA 3.38Å; M558-N579 PolarHBondContact N-O 3.48Å; M558-N579 PolarHBondContact O-N 3.36Å
559	L	86	Confident	69.6	Low	7 Å²	7	64.5 Å²	64.5	4%	0.037	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	120.6	177.8	-173	70.2	0	0	0	109.7	L535 L542 F552 T576 V578	L535-L559 HydrophobicContact CB-CD2 4.25Å; L542-L559 HydrophobicContact CD2-CB 3.96Å; L542-L559 HydrophobicContact CD2-CD2 3.49Å; L542-L559 VanDerWaalsContact CD2-CD2 3.49Å; L542-L559 HydrophobicContact CD2-CG 4.37Å; F552-L559 HydrophobicContact CE1-CB 4.1Å; F552-L559 HydrophobicContact CE2-CB 4.41Å; F552-L559 HydrophobicContact CZ-CB 3.66Å; L559-T576 HydrophobicContact CD1-CG2 3.39Å; L559-T576 HydrophobicContact CG-CG2 4.14Å; L559-V578 HydrophobicContact CD1-CG1 3.49Å; L559-V578 VanDerWaalsContact CD1-CG1 3.49Å
560	E	80.4	Confident	67.5	Low	70 Å²	70	70.1 Å²	70.1	33%	0.327	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	118.2	173.9	-70.3	-179.2	-170.3	0	0	109.3	L577 N579 R583	E560-L577 HydrophobicContact CB-CB 4.32Å; E560-L577 PolarHBondContact N-O 3.22Å; E560-L577 PolarHBondContact O-N 3.45Å; E560-N579 PolarHBondContact OE1-ND2 3.48Å; E560-N579 VanDerWaalsContact OE1-ND2 3.11Å; E560-N579 PolarHBondContact OE2-ND2 2.84Å; E560-N579 VanDerWaalsContact OE2-ND2 3.1Å; E560-R583 IonicContact OE1-NH2 2.65Å; E560-R583 PolarHBondContact OE1-NH2 3.11Å
561	E	70.5	Confident	65.4	Low	50 Å²	50	77.5 Å²	77.5	23%	0.234	42%	0.421	C	S	.	.			trans	-104.5	142.4	174.3	-71.2	-173.7	145.5	0	0	109.7	R339 T536 R537 A563 T576	R339-E561 IonicContact NH2-OE1 3.44Å; T536-E561 WeakPolarHBondContact CA-OE1 3.46Å; T536-E561 WeakPolarHBondContact CB-OE1 3.46Å; R537-E561 WeakPolarHBondContact CA-OE2 3.28Å; R537-E561 WeakPolarHBondContact CB-OE2 3.49Å; R537-E561 PolarHBondContact N-OE2 3.14Å; E561-A563 PolarHBondContact O-N 3.1Å; E561-T576 HydrophobicContact CG-CG2 3.91Å
562	P	61.5	Low	63.3	Low	50 Å²	50	82.3 Å²	82.3	33%	0.325	45%	0.45	S	S	.	.			trans	-63.3	131.5	173.4	25.3	-31.9	0	0	0	110	V564 V574	P562-V564 PolarHBondContact O-N 3.4Å; P562-V574 HydrophobicContact CB-CB 4.19Å; P562-V574 HydrophobicContact CB-CG1 4.24Å; P562-V574 HydrophobicContact CG-CB 4.36Å
563	A	52	Low	61.2	Low	55 Å²	55	88.3 Å²	88.3	46%	0.455	48%	0.482	S	S	.	.			trans	-61.2	137.2	176.7	0	0	0	0	0	110.2	E561 N565 E566	E561-A563 PolarHBondContact O-N 3.1Å; A563-N565 PolarHBondContact O-N 3.46Å; A563-E566 PolarHBondContact O-N 2.86Å
564	V	50	Low	59.7	Low	101 Å²	101	85.4 Å²	85.4	61%	0.612	48%	0.476	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50	-28.8	-177.7	-179.6	0	0	0	0	112.8	P562 T567	P562-V564 PolarHBondContact O-N 3.4Å; V564-T567 PolarHBondContact O-OG1 3.47Å
565	N	44.1	Very low	58.9	Low	150 Å²	150	85 Å²	85	80%	0.802	48%	0.477	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.1	-16	-177.3	-68	-9.2	0	0	0	115.2	A563	A563-N565 PolarHBondContact O-N 3.46Å
566	E	38.6	Very low	58.6	Low	142 Å²	142	85.4 Å²	85.4	66%	0.664	48%	0.479	S	S	*	.	G	3₁₀ helix	trans	-95.9	-1.8	-172.3	-73.6	-175.9	166	0	0	114.4	A563 A568	A563-E566 PolarHBondContact O-N 2.86Å; E566-A568 PolarHBondContact O-N 3.48Å; E566-A568 VanDerWaalsContact O-N 3.11Å
567	T	41.9	Very low	58.7	Low	83 Å²	83	85.6 Å²	85.6	51%	0.509	47%	0.472	S	S	.	.	G	3₁₀ helix	trans	-71.3	-2.4	177.5	47.8	0	0	0	0	114.3	V564	V564-T567 PolarHBondContact O-OG1 3.47Å
568	A	44.1	Very low	58.7	Low	93 Å²	93	84.5 Å²	84.5	77%	0.769	47%	0.468	S	S	*	.	G	3₁₀ helix	trans	-78.2	-13.4	176.9	0	0	0	0	0	114.7	E566	E566-A568 PolarHBondContact O-N 3.48Å; E566-A568 VanDerWaalsContact O-N 3.11Å
569	Q	42.9	Very low	58.7	Low	163 Å²	163	80.4 Å²	80.4	76%	0.762	45%	0.448	S	S	*	.	S	Bend	trans	-113	-3.4	-170.1	-73.2	-166.5	8.4	0	0	117.1
570	F	39.1	Very low	58.5	Low	141 Å²	141	80.2 Å²	80.2	62%	0.618	45%	0.447	S	S	*	.			trans	-132.8	119.8	178.8	-63.3	-78	0	0	0	111.7	T572	F570-T572 PolarHBondContact O-N 2.94Å
571	D	41.1	Very low	58.3	Low	185 Å²	185	81.1 Å²	81.1	99%	0.989	46%	0.459	S	S	*	.	S	Bend	trans	-60	1.4	172.6	-88.6	-29.5	0	0	0	114
572	T	41.2	Very low	58.6	Low	101 Å²	101	83.3 Å²	83.3	62%	0.62	47%	0.472	S	S	*	.	S	Bend	trans	-125.6	123.2	-177.4	40.7	0	0	0	0	110.5	F570 V574	F570-T572 PolarHBondContact O-N 2.94Å; T572-V574 PolarHBondContact O-N 2.92Å; T572-V574 VanDerWaalsContact O-N 3.1Å
573	L	46.2	Very low	59.1	Low	131 Å²	131	88 Å²	88	69%	0.686	48%	0.484	S	S	*	.			trans	-37.3	114	168.7	-86.7	138.8	0	0	0	110.7	P575	L573-P575 WeakPolarHBondContact O-CD 3.38Å
574	V	54.3	Low	60.1	Low	77 Å²	77	89.4 Å²	89.4	47%	0.467	49%	0.49	S	S	.	.			trans	-76.5	109.6	161.5	-175.2	0	0	0	0	106.1	P562 T572	P562-V574 HydrophobicContact CB-CB 4.19Å; P562-V574 HydrophobicContact CB-CG1 4.24Å; P562-V574 HydrophobicContact CG-CB 4.36Å; T572-V574 PolarHBondContact O-N 2.92Å; T572-V574 VanDerWaalsContact O-N 3.1Å
575	P	67	Low	61.6	Low	35 Å²	35	85 Å²	85	23%	0.227	46%	0.464	C	S	.	.	P	Polyproline II helix	trans	-65.9	157.2	176.9	29.6	-34.4	0	0	0	109.9	L573 L577 I589 L590	L573-P575 WeakPolarHBondContact O-CD 3.38Å; P575-L577 PolarHBondContact O-N 3.34Å; P575-I589 WeakPolarHBondContact CB-O 3.44Å; P575-L590 HydrophobicContact CB-CD2 4.29Å; P575-L590 HydrophobicContact CG-CD2 4.34Å
576	T	76.8	Confident	63.5	Low	18 Å²	18	80.6 Å²	80.6	11%	0.11	44%	0.438	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.1	127.8	166.6	-55.7	0	0	0	0	108.9	L559 E561 I589	L559-T576 HydrophobicContact CD1-CG2 3.39Å; L559-T576 HydrophobicContact CG-CG2 4.14Å; E561-T576 HydrophobicContact CG-CG2 3.91Å; T576-I589 HydrophobicContact CG2-CD1 4.48Å; T576-I589 PolarHBondContact O-N 3.18Å
577	L	83.3	Confident	65.8	Low	37 Å²	37	74 Å²	74	19%	0.194	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	137.6	-177.2	-66.3	170.2	0	0	0	110	E560 P575	E560-L577 HydrophobicContact CB-CB 4.32Å; E560-L577 PolarHBondContact N-O 3.22Å; E560-L577 PolarHBondContact O-N 3.45Å; P575-L577 PolarHBondContact O-N 3.34Å
578	V	86.6	Confident	67.9	Low	0 Å²	0	70.2 Å²	70.2	0%	0	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	124.6	168	-62.8	0	0	0	0	109.4	A530 F552 W557 M558 L559 I587 I589	A530-V578 WeakPolarHBondContact O-CG1 3.41Å; F552-V578 HydrophobicContact CE2-CG1 4.02Å; W557-V578 HydrophobicContact CE3-CB 4.27Å; W557-V578 HydrophobicContact CE3-CG2 4.14Å; W557-V578 HydrophobicContact CZ3-CG2 4.38Å; M558-V578 WeakPolarHBondContact O-CA 3.38Å; L559-V578 HydrophobicContact CD1-CG1 3.49Å; L559-V578 VanDerWaalsContact CD1-CG1 3.49Å; V578-I587 HydrophobicContact CG2-CB 3.74Å; V578-I587 HydrophobicContact CG2-CG2 4.32Å; V578-I587 PolarHBondContact N-O 3.07Å; V578-I587 PolarHBondContact O-N 2.89Å; V578-I589 HydrophobicContact CG1-CD1 4.22Å
579	N	84.7	Confident	69.8	Low	0 Å²	0	66.2 Å²	66.2	0%	0	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	134.4	-171.9	-63.4	-21.5	0	0	0	109.8	W557 M558 E560 E586	W557-N579 WeakPolarHBondContact CA-O 3.46Å; W557-N579 WeakPolarHBondContact CB-O 3.37Å; W557-N579 VanDerWaalsContact CE3-C 3.5Å; M558-N579 PolarHBondContact N-O 3.48Å; M558-N579 PolarHBondContact O-N 3.36Å; E560-N579 PolarHBondContact OE1-ND2 3.48Å; E560-N579 VanDerWaalsContact OE1-ND2 3.11Å; E560-N579 PolarHBondContact OE2-ND2 2.84Å; E560-N579 VanDerWaalsContact OE2-ND2 3.1Å; N579-E586 VanDerWaalsContact OD1-CG 3.31Å; N579-E586 WeakPolarHBondContact OD1-CG 3.34Å
580	A	82.3	Confident	71.6	Confident	3 Å²	3	60.6 Å²	60.6	3%	0.025	33%	0.326	C	S	.	.			trans	-60.7	154.7	169.8	0	0	0	0	0	111	W557 D582 R583 C585	W557-A580 HydrophobicContact CD2-CB 4.28Å; W557-A580 HydrophobicContact CE3-CB 4.43Å; W557-A580 HydrophobicContact CH2-CB 4.13Å; W557-A580 HydrophobicContact CZ2-CB 3.97Å; W557-A580 HydrophobicContact CZ3-CB 4.34Å; A580-D582 WeakPolarHBondContact CB-OD1 3.41Å; A580-D582 PolarHBondContact O-N 3.06Å; A580-R583 PolarHBondContact O-N 3.37Å; A580-C585 HydrophobicContact CB-CB 4.32Å; A580-C585 PolarHBondContact N-O 2.86Å
581	P	75.6	Confident	73.5	Confident	88 Å²	88	56.6 Å²	56.6	57%	0.571	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.5	-34.8	-179.9	-20.1	26.7	0	0	0	113.8	G556	G556-P581 WeakPolarHBondContact O-CG 3.37Å
582	D	76.7	Confident	75.4	Confident	96 Å²	96	49.8 Å²	49.8	51%	0.513	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.2	3.3	178.8	63.7	-9.9	0	0	0	113.3	A580 S584	A580-D582 WeakPolarHBondContact CB-OD1 3.41Å; A580-D582 PolarHBondContact O-N 3.06Å; D582-S584 VanDerWaalsContact CG-CB 3.48Å; D582-S584 PolarHBondContact O-N 2.7Å; D582-S584 VanDerWaalsContact O-N 3.13Å; D582-S584 VanDerWaalsContact OD1-CB 3.24Å; D582-S584 WeakPolarHBondContact OD1-CB 3.47Å; D582-S584 PolarHBondContact OD1-N 2.85Å; D582-S584 VanDerWaalsContact OD1-N 3.07Å; D582-S584 PolarHBondContact OD1-OG 3.2Å; D582-S584 WeakPolarHBondContact OD2-CB 3.45Å; D582-S584 PolarHBondContact OD2-OG 3.26Å; D582-S584 VanDerWaalsContact OD2-OG 3.09Å
583	R	72.4	Confident	77.4	Confident	149 Å²	149	45.8 Å²	45.8	56%	0.562	25%	0.245	S	C	*	.	S	Bend	trans	52.3	25.3	-171.4	-64.1	-172.8	167.4	-163.8	-11.3	114	E560 A580 C585	E560-R583 IonicContact OE1-NH2 2.65Å; E560-R583 PolarHBondContact OE1-NH2 3.11Å; A580-R583 PolarHBondContact O-N 3.37Å; R583-C585 VanDerWaalsContact C-N 3.29Å; R583-C585 PolarHBondContact O-N 2.87Å
584	S	74.4	Confident	78.6	Confident	84 Å²	84	41.1 Å²	41.1	59%	0.587	22%	0.222	S	C	*	.	S	Bend	trans	-71.7	-25.4	176.6	61	0	0	0	0	113.2	D582	D582-S584 VanDerWaalsContact CG-CB 3.48Å; D582-S584 PolarHBondContact O-N 2.7Å; D582-S584 VanDerWaalsContact O-N 3.13Å; D582-S584 VanDerWaalsContact OD1-CB 3.24Å; D582-S584 WeakPolarHBondContact OD1-CB 3.47Å; D582-S584 PolarHBondContact OD1-N 2.85Å; D582-S584 VanDerWaalsContact OD1-N 3.07Å; D582-S584 PolarHBondContact OD1-OG 3.2Å; D582-S584 WeakPolarHBondContact OD2-CB 3.45Å; D582-S584 PolarHBondContact OD2-OG 3.26Å; D582-S584 VanDerWaalsContact OD2-OG 3.09Å
585	C	79.8	Confident	79.8	Confident	10 Å²	10	42.6 Å²	42.6	7%	0.068	22%	0.222	C	C	.	.			trans	-141	128	-175.5	-172.2	0	0	0	0	109.5	W557 A580 R583 E608	W557-C585 HydrophobicContact CH2-CB 3.97Å; A580-C585 HydrophobicContact CB-CB 4.32Å; A580-C585 PolarHBondContact N-O 2.86Å; R583-C585 VanDerWaalsContact C-N 3.29Å; R583-C585 PolarHBondContact O-N 2.87Å; C585-E608 PolarHBondContact SG-OE1 3.49Å
586	E	84	Confident	79.8	Confident	56 Å²	56	41.4 Å²	41.4	26%	0.262	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	121.6	177.4	-59	-169.3	171.4	0	0	109	N579 E608 L609	N579-E586 VanDerWaalsContact OD1-CG 3.31Å; N579-E586 WeakPolarHBondContact OD1-CG 3.34Å; E586-E608 WeakPolarHBondContact O-CA 3.35Å; E586-L609 HydrophobicContact CB-CD1 3.9Å; E586-L609 HydrophobicContact CB-CG 4.3Å; E586-L609 PolarHBondContact O-N 3.35Å; E586-L609 VanDerWaalsContact O-N 3.16Å; E586-L609 WeakPolarHBondContact OE2-CD1 3.49Å
587	I	87.1	Confident	79.3	Confident	3 Å²	3	44.9 Å²	44.9	2%	0.015	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	121.6	-176	-58	174	0	0	0	109.1	R527 W557 V578 T606	R527-I587 HydrophobicContact CB-CD1 4.13Å; R527-I587 HydrophobicContact CG-CD1 3.81Å; W557-I587 HydrophobicContact CH2-CD1 3.81Å; W557-I587 HydrophobicContact CH2-CG1 4.45Å; W557-I587 HydrophobicContact CZ3-CD1 3.7Å; W557-I587 HydrophobicContact CZ3-CG1 4.07Å; V578-I587 HydrophobicContact CG2-CB 3.74Å; V578-I587 HydrophobicContact CG2-CG2 4.32Å; V578-I587 PolarHBondContact N-O 3.07Å; V578-I587 PolarHBondContact O-N 2.89Å; I587-T606 HydrophobicContact CG2-CG2 3.99Å
588	G	86.2	Confident	78.5	Confident	5 Å²	5	48.6 Å²	48.6	5%	0.052	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	127.3	171.5	0	0	0	0	0	111.9	L590 T606 R607	G588-L590 PolarHBondContact O-N 2.86Å; G588-T606 CarbonylContact O-C 3.5Å; G588-T606 VanDerWaalsContact O-CA 3.25Å; G588-T606 WeakPolarHBondContact O-CA 3.49Å; G588-R607 PolarHBondContact N-O 3.07Å; G588-R607 PolarHBondContact O-N 3.2Å
589	I	84.5	Confident	78.1	Confident	9 Å²	9	51.2 Å²	51.2	5%	0.046	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	104.1	172.2	-56.1	173.4	0	0	0	108.8	S531 P575 T576 V578 Q592 V604	S531-I589 WeakPolarHBondContact O-CD1 3.42Å; P575-I589 WeakPolarHBondContact CB-O 3.44Å; T576-I589 HydrophobicContact CG2-CD1 4.48Å; T576-I589 PolarHBondContact O-N 3.18Å; V578-I589 HydrophobicContact CG1-CD1 4.22Å; I589-Q592 HydrophobicContact CG2-CG 3.61Å; I589-V604 HydrophobicContact CG2-CB 4.47Å
590	L	80.9	Confident	77.9	Confident	45 Å²	45	53.1 Å²	53.1	24%	0.236	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	-42.4	-172.7	-59.2	179.8	0	0	0	113	P575 G588 L605 R607 I614 F664	P575-L590 HydrophobicContact CB-CD2 4.29Å; P575-L590 HydrophobicContact CG-CD2 4.34Å; G588-L590 PolarHBondContact O-N 2.86Å; L590-L605 HydrophobicContact CB-CB 4.41Å; L590-L605 WeakPolarHBondContact CB-O 3.22Å; L590-L605 PolarHBondContact N-O 3.23Å; L590-R607 HydrophobicContact CD1-CB 3.65Å; L590-R607 HydrophobicContact CD2-CB 4.42Å; L590-R607 HydrophobicContact CG-CB 4.15Å; L590-I614 HydrophobicContact CD1-CD1 4.32Å; L590-I614 HydrophobicContact CD1-CG1 4.31Å; L590-F664 HydrophobicContact CB-CD2 4.21Å; L590-F664 HydrophobicContact CB-CE2 3.71Å; L590-F664 HydrophobicContact CD1-CD2 3.77Å; L590-F664 HydrophobicContact CD1-CE2 4.15Å; L590-F664 HydrophobicContact CG-CD2 4.47Å; L590-F664 HydrophobicContact CG-CE2 4.38Å
591	K	79.3	Confident	78.2	Confident	56 Å²	56	54.2 Å²	54.2	24%	0.243	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	134	-179.3	-169.9	-175.6	-167	165.6	0	109.5	F593 V604 L605 N668	K591-F593 HydrophobicContact CD-CE1 4.26Å; K591-F593 HydrophobicContact CD-CE2 4.3Å; K591-F593 HydrophobicContact CD-CZ 3.86Å; K591-V604 CarbonylContact O-C 3.6Å; K591-V604 WeakPolarHBondContact O-CA 3.22Å; K591-L605 HydrophobicContact CB-CB 4.13Å; K591-L605 HydrophobicContact CB-CD1 4.04Å; K591-L605 HydrophobicContact CB-CG 4.45Å; K591-L605 HydrophobicContact CD-CD1 4.14Å; K591-L605 PolarHBondContact N-O 3.2Å; K591-L605 PolarHBondContact O-N 3.49Å; K591-N668 VanDerWaalsContact CD-OD1 3.25Å; K591-N668 WeakPolarHBondContact CD-OD1 3.43Å; K591-N668 VanDerWaalsContact CE-OD1 3.31Å; K591-N668 WeakPolarHBondContact CE-OD1 3.34Å; K591-N668 PolarHBondContact NZ-O 3.01Å; K591-N668 PolarHBondContact NZ-OD1 3.1Å
592	Q	79.6	Confident	78.9	Confident	43 Å²	43	50.3 Å²	50.3	20%	0.201	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	130.7	175.9	-58.5	-179.4	12.1	0	0	109.5	S534 I589 P594 V604	S534-Q592 PolarHBondContact OG-OE1 3.15Å; I589-Q592 HydrophobicContact CG2-CG 3.61Å; Q592-P594 WeakPolarHBondContact O-CD 3.48Å; Q592-V604 HydrophobicContact CB-CG1 4.33Å; Q592-V604 HydrophobicContact CG-CG1 4.03Å
593	F	83	Confident	79.6	Confident	16 Å²	16	45.7 Å²	45.7	7%	0.07	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	94.7	163.6	-60.6	-79.3	0	0	0	107.4	K591 M602 S603 L605 R672 V675	K591-F593 HydrophobicContact CD-CE1 4.26Å; K591-F593 HydrophobicContact CD-CE2 4.3Å; K591-F593 HydrophobicContact CD-CZ 3.86Å; F593-M602 WeakPolarHBondContact O-CA 3.38Å; F593-M602 WeakPolarHBondContact O-CB 3.4Å; F593-S603 CarbonylContact C-O 3.43Å; F593-S603 WeakPolarHBondContact CA-O 3.36Å; F593-S603 WeakPolarHBondContact CB-O 3.18Å; F593-S603 WeakPolarHBondContact CB-OG 3.47Å; F593-S603 VanDerWaalsContact CD2-OG 3.24Å; F593-S603 WeakPolarHBondContact CD2-OG 3.39Å; F593-S603 PolarHBondContact N-O 3.04Å; F593-S603 PolarHBondContact O-N 3.32Å; F593-L605 HydrophobicContact CE2-CD1 4.1Å; F593-L605 HydrophobicContact CE2-CG 4.04Å; F593-L605 HydrophobicContact CZ-CD1 4.49Å; F593-R672 HydrophobicContact CD1-CB 4.07Å; F593-R672 HydrophobicContact CD1-CG 3.82Å; F593-R672 HydrophobicContact CE1-CB 4.01Å; F593-R672 HydrophobicContact CE1-CG 4.19Å; F593-R672 HydrophobicContact CG-CG 4.3Å; F593-V675 HydrophobicContact CE2-CB 4.34Å; F593-V675 HydrophobicContact CE2-CG1 3.91Å; F593-V675 HydrophobicContact CZ-CB 4.33Å; F593-V675 HydrophobicContact CZ-CG1 4.36Å; F593-V675 HydrophobicContact CZ-CG2 4.17Å
594	P	73.1	Confident	80.4	Confident	33 Å²	33	38.6 Å²	38.6	21%	0.214	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63	160.1	-172.4	26.3	-35.2	0	0	0	111.9	Q592 S596 R672	Q592-P594 WeakPolarHBondContact O-CD 3.48Å; P594-S596 PolarHBondContact O-N 3.43Å; P594-R672 PolarHBondContact O-NH1 2.9Å
595	F	78.1	Confident	81.1	Confident	108 Å²	108	34.6 Å²	34.6	47%	0.474	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.9	138.6	178.6	-178.4	-97.3	0	0	0	111.1	K326 Q600 R601 M602	K326-F595 WeakPolarHBondContact CE-O 3.48Å; K326-F595 PolarHBondContact NZ-O 2.93Å; F595-Q600 VanDerWaalsContact CE2-C 3.43Å; F595-R601 WeakPolarHBondContact CA-O 3.38Å; F595-M602 HydrophobicContact CB-CB 4Å; F595-M602 HydrophobicContact CB-SD 4.47Å
596	S	68.1	Low	81.5	Confident	10 Å²	10	34.2 Å²	34.2	7%	0.07	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	129.6	172.1	-154.5	0	0	0	0	109.9	K326 P594 D598 L599 Q600 R601	K326-S596 WeakPolarHBondContact CE-OG 3.19Å; K326-S596 PolarHBondContact NZ-OG 3Å; P594-S596 PolarHBondContact O-N 3.43Å; S596-D598 PolarHBondContact O-N 3.17Å; S596-L599 PolarHBondContact O-N 3.45Å; S596-Q600 VanDerWaalsContact O-CA 3.23Å; S596-Q600 WeakPolarHBondContact O-CA 3.02Å; S596-Q600 PolarHBondContact O-N 3.25Å; S596-R601 PolarHBondContact N-O 3.32Å
597	S	66.6	Low	81.7	Confident	92 Å²	92	37 Å²	37	64%	0.643	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-35.2	172.5	-56.5	0	0	0	0	111.7	Q600	S597-Q600 WeakPolarHBondContact O-CG 3.18Å
598	D	66.1	Low	81.5	Confident	114 Å²	114	39.5 Å²	39.5	61%	0.61	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.8	-40.4	177	-62.8	-37	0	0	0	113	S596	S596-D598 PolarHBondContact O-N 3.17Å
599	L	77.3	Confident	80.9	Confident	55 Å²	55	45 Å²	45	29%	0.288	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.4	-14	-178.8	-55.9	172.8	0	0	0	113	S596 R601 T624	S596-L599 PolarHBondContact O-N 3.45Å; L599-R601 HydrophobicContact CB-CG 4.29Å; L599-R601 WeakPolarHBondContact O-CG 3.19Å; L599-R601 PolarHBondContact O-N 3.03Å; L599-R601 VanDerWaalsContact O-N 3.15Å; L599-R601 PolarHBondContact O-NH1 3.32Å; L599-T624 WeakPolarHBondContact O-CG2 3.25Å
600	Q	80.4	Confident	80.3	Confident	40 Å²	40	49.1 Å²	49.1	19%	0.187	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	52.8	29	-179.1	-49.6	-175.8	-79.3	0	0	115.6	F595 S596 S597 G620 A621 T624	F595-Q600 VanDerWaalsContact CE2-C 3.43Å; S596-Q600 VanDerWaalsContact O-CA 3.23Å; S596-Q600 WeakPolarHBondContact O-CA 3.02Å; S596-Q600 PolarHBondContact O-N 3.25Å; S597-Q600 WeakPolarHBondContact O-CG 3.18Å; Q600-G620 CarbonylContact O-C 3.37Å; Q600-G620 VanDerWaalsContact O-CA 3.31Å; Q600-G620 WeakPolarHBondContact O-CA 3.41Å; Q600-A621 HydrophobicContact CB-CB 3.73Å; Q600-A621 PolarHBondContact O-N 3.3Å; Q600-T624 PolarHBondContact OE1-OG1 2.85Å
601	R	89.6	Confident	80.1	Confident	26 Å²	26	48.6 Å²	48.6	10%	0.098	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	159.7	-178.8	68.1	-172.3	178.8	-101.9	6.5	112.8	F595 S596 L599 K619 T624 L628 R672 E676	F595-R601 WeakPolarHBondContact CA-O 3.38Å; S596-R601 PolarHBondContact N-O 3.32Å; L599-R601 HydrophobicContact CB-CG 4.29Å; L599-R601 WeakPolarHBondContact O-CG 3.19Å; L599-R601 PolarHBondContact O-N 3.03Å; L599-R601 VanDerWaalsContact O-N 3.15Å; L599-R601 PolarHBondContact O-NH1 3.32Å; R601-K619 CarbonylContact C-O 3.58Å; R601-K619 WeakPolarHBondContact CA-O 3.49Å; R601-T624 HydrophobicContact CB-CG2 4.44Å; R601-T624 HydrophobicContact CG-CG2 4.37Å; R601-T624 VanDerWaalsContact NH1-CG2 3.34Å; R601-L628 VanDerWaalsContact CD-CD1 3.45Å; R601-L628 VanDerWaalsContact NE-CD1 3.34Å; R601-R672 PolarHBondContact O-NH2 3.01Å; R601-E676 IonicContact CZ-OE2 3.25Å; R601-E676 VanDerWaalsContact CZ-OE2 3.26Å; R601-E676 IonicContact NE-OE1 3.83Å; R601-E676 IonicContact NE-OE2 2.76Å; R601-E676 PolarHBondContact NE-OE2 2.83Å; R601-E676 IonicContact NH2-OE2 3.26Å; R601-E676 PolarHBondContact NH2-OE2 3.34Å
602	M	89.4	Confident	79.9	Confident	6 Å²	6	50.5 Å²	50.5	3%	0.03	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	152.7	166.6	70.9	179.2	-81.1	0	0	110.6	F593 F595 V604 C618 K619	F593-M602 WeakPolarHBondContact O-CA 3.38Å; F593-M602 WeakPolarHBondContact O-CB 3.4Å; F595-M602 HydrophobicContact CB-CB 4Å; F595-M602 HydrophobicContact CB-SD 4.47Å; M602-V604 HydrophobicContact CE-CG1 4.4Å; M602-C618 WeakPolarHBondContact O-CA 3.3Å; M602-C618 PolarHBondContact O-SG 3.03Å; M602-K619 HydrophobicContact CG-CD 4.17Å; M602-K619 HydrophobicContact CG-CG 3.5Å; M602-K619 PolarHBondContact N-O 2.6Å; M602-K619 PolarHBondContact O-N 3.12Å; M602-K619 VanDerWaalsContact O-O 3.05Å; M602-K619 HydrophobicContact SD-CD 4.29Å; M602-K619 WeakPolarHBondContact SD-CE 3.13Å; M602-K619 HydrophobicContact SD-CG 4.25Å
603	S	91.7	Very high	80	Confident	0 Å²	0	52 Å²	52	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	155.2	177.2	62.1	0	0	0	0	111.1	F593 Y617 E676	F593-S603 CarbonylContact C-O 3.43Å; F593-S603 WeakPolarHBondContact CA-O 3.36Å; F593-S603 WeakPolarHBondContact CB-O 3.18Å; F593-S603 WeakPolarHBondContact CB-OG 3.47Å; F593-S603 VanDerWaalsContact CD2-OG 3.24Å; F593-S603 WeakPolarHBondContact CD2-OG 3.39Å; F593-S603 PolarHBondContact N-O 3.04Å; F593-S603 PolarHBondContact O-N 3.32Å; S603-Y617 CarbonylContact C-O 3.58Å; S603-Y617 WeakPolarHBondContact CA-O 3.38Å; S603-E676 WeakPolarHBondContact OG-CG 3.46Å; S603-E676 PolarHBondContact OG-OE1 2.9Å
604	V	89.5	Confident	80.2	Confident	0 Å²	0	51.5 Å²	51.5	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	132.6	179.6	-63.4	0	0	0	0	109.2	C532 I589 K591 Q592 M602 T606 L616 Y617	C532-V604 HydrophobicContact CB-CG2 3.84Å; I589-V604 HydrophobicContact CG2-CB 4.47Å; K591-V604 CarbonylContact O-C 3.6Å; K591-V604 WeakPolarHBondContact O-CA 3.22Å; Q592-V604 HydrophobicContact CB-CG1 4.33Å; Q592-V604 HydrophobicContact CG-CG1 4.03Å; M602-V604 HydrophobicContact CE-CG1 4.4Å; V604-T606 HydrophobicContact CB-CG2 4.37Å; V604-T606 HydrophobicContact CG2-CG2 3.81Å; V604-L616 WeakPolarHBondContact O-CA 3.45Å; V604-Y617 PolarHBondContact N-O 3.39Å; V604-Y617 PolarHBondContact O-N 2.94Å
605	L	88.7	Confident	81	Confident	0 Å²	0	51 Å²	51	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	125.4	166.8	-69.7	174.7	0	0	0	108.2	L590 K591 F593 I614 L616 L660 T667 V675	L590-L605 HydrophobicContact CB-CB 4.41Å; L590-L605 WeakPolarHBondContact CB-O 3.22Å; L590-L605 PolarHBondContact N-O 3.23Å; K591-L605 HydrophobicContact CB-CB 4.13Å; K591-L605 HydrophobicContact CB-CD1 4.04Å; K591-L605 HydrophobicContact CB-CG 4.45Å; K591-L605 HydrophobicContact CD-CD1 4.14Å; K591-L605 PolarHBondContact N-O 3.2Å; K591-L605 PolarHBondContact O-N 3.49Å; F593-L605 HydrophobicContact CE2-CD1 4.1Å; F593-L605 HydrophobicContact CE2-CG 4.04Å; F593-L605 HydrophobicContact CZ-CD1 4.49Å; L605-I614 HydrophobicContact CB-CG2 4.31Å; L605-I614 HydrophobicContact CD2-CG2 3.83Å; L605-L616 HydrophobicContact CD2-CB 4.28Å; L605-L616 HydrophobicContact CD2-CD1 3.71Å; L605-L616 HydrophobicContact CG-CD1 4.21Å; L605-L660 HydrophobicContact CD2-CD1 3.62Å; L605-T667 HydrophobicContact CD1-CG2 3.75Å; L605-T667 HydrophobicContact CD2-CG2 4.04Å; L605-V675 HydrophobicContact CD2-CG1 3.88Å; L605-V675 HydrophobicContact CG-CG1 4.47Å
606	T	88.7	Confident	81.6	Confident	2 Å²	2	45.9 Å²	45.9	1%	0.012	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	156.8	-177.8	65.2	0	0	0	0	110.7	I587 G588 V604 I614 V615 Y617	I587-T606 HydrophobicContact CG2-CG2 3.99Å; G588-T606 CarbonylContact O-C 3.5Å; G588-T606 VanDerWaalsContact O-CA 3.25Å; G588-T606 WeakPolarHBondContact O-CA 3.49Å; V604-T606 HydrophobicContact CB-CG2 4.37Å; V604-T606 HydrophobicContact CG2-CG2 3.81Å; T606-I614 WeakPolarHBondContact O-CA 3.48Å; T606-V615 PolarHBondContact N-O 3.09Å; T606-V615 PolarHBondContact O-N 3.34Å; T606-V615 PolarHBondContact OG1-O 3.08Å; T606-Y617 HydrophobicContact CG2-CD2 3.85Å; T606-Y617 HydrophobicContact CG2-CE2 4.32Å; T606-Y617 WeakPolarHBondContact OG1-CD2 3.23Å; T606-Y617 VanDerWaalsContact OG1-CE2 3.25Å; T606-Y617 WeakPolarHBondContact OG1-CE2 3.04Å
607	R	86.9	Confident	82.9	Confident	115 Å²	115	46.1 Å²	46.1	43%	0.434	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	131.1	170.2	176	177.8	178.9	-167.2	-1.1	109.1	G588 L590 S611	G588-R607 PolarHBondContact N-O 3.07Å; G588-R607 PolarHBondContact O-N 3.2Å; L590-R607 HydrophobicContact CD1-CB 3.65Å; L590-R607 HydrophobicContact CD2-CB 4.42Å; L590-R607 HydrophobicContact CG-CB 4.15Å; R607-S611 PolarHBondContact NE-O 3.3Å; R607-S611 VanDerWaalsContact NE-O 3.13Å
608	E	84.1	Confident	84.2	Confident	55 Å²	55	41.8 Å²	41.8	26%	0.257	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	141.7	172.5	-164.1	-179.9	160.6	0	0	109.8	C585 E586 S610 S611	C585-E608 PolarHBondContact SG-OE1 3.49Å; E586-E608 WeakPolarHBondContact O-CA 3.35Å; E608-S610 VanDerWaalsContact CG-OG 3.29Å; E608-S610 WeakPolarHBondContact CG-OG 3.36Å; E608-S610 PolarHBondContact O-N 3.34Å; E608-S610 PolarHBondContact OE1-OG 3.43Å; E608-S611 PolarHBondContact O-N 2.91Å; E608-S611 VanDerWaalsContact O-N 3.08Å
609	L	73.9	Confident	85.5	Confident	120 Å²	120	36.7 Å²	36.7	63%	0.628	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-34.2	178.8	-73	-179.6	0	0	0	112.9	E586 S611	E586-L609 HydrophobicContact CB-CD1 3.9Å; E586-L609 HydrophobicContact CB-CG 4.3Å; E586-L609 PolarHBondContact O-N 3.35Å; E586-L609 VanDerWaalsContact O-N 3.16Å; E586-L609 WeakPolarHBondContact OE2-CD1 3.49Å; L609-S611 PolarHBondContact O-N 2.73Å
610	S	72.2	Confident	86.1	Confident	96 Å²	96	34.1 Å²	34.1	67%	0.671	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71	-14.4	178.4	66.2	0	0	0	0	113.4	E608	E608-S610 VanDerWaalsContact CG-OG 3.29Å; E608-S610 WeakPolarHBondContact CG-OG 3.36Å; E608-S610 PolarHBondContact O-N 3.34Å; E608-S610 PolarHBondContact OE1-OG 3.43Å
611	S	76.2	Confident	86.4	Confident	34 Å²	34	33 Å²	33	24%	0.238	18%	0.184	C	C	.	.			trans	-125.9	142.3	-169.7	-167.2	0	0	0	0	112.9	R607 E608 L609 N613	R607-S611 PolarHBondContact NE-O 3.3Å; R607-S611 VanDerWaalsContact NE-O 3.13Å; E608-S611 PolarHBondContact O-N 2.91Å; E608-S611 VanDerWaalsContact O-N 3.08Å; L609-S611 PolarHBondContact O-N 2.73Å; S611-N613 VanDerWaalsContact C-N 3.28Å; S611-N613 PolarHBondContact OG-N 3.04Å
612	S	74.4	Confident	86.4	Confident	96 Å²	96	32.2 Å²	32.2	67%	0.671	18%	0.181	S	C	*	.	S	Bend	trans	-80.2	-12	168.3	51.4	0	0	0	0	112.7
613	N	81.5	Confident	86.1	Confident	75 Å²	75	35.6 Å²	35.6	40%	0.401	20%	0.197	S	C	.	.			trans	-79.5	136.8	-173.9	-64.8	-32	0	0	0	111.6	S611	S611-N613 VanDerWaalsContact C-N 3.28Å; S611-N613 PolarHBondContact OG-N 3.04Å
614	I	86.9	Confident	85.8	Confident	4 Å²	4	36.3 Å²	36.3	2%	0.021	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	128.5	171.6	-62.5	179.9	0	0	0	107.8	L590 L605 T606 L660 F664 T667	L590-I614 HydrophobicContact CD1-CD1 4.32Å; L590-I614 HydrophobicContact CD1-CG1 4.31Å; L605-I614 HydrophobicContact CB-CG2 4.31Å; L605-I614 HydrophobicContact CD2-CG2 3.83Å; T606-I614 WeakPolarHBondContact O-CA 3.48Å; I614-L660 HydrophobicContact CB-CB 4.36Å; I614-L660 HydrophobicContact CG2-CD1 4.36Å; I614-L660 PolarHBondContact O-N 2.84Å; I614-F664 VanDerWaalsContact CD1-CA 3.5Å; I614-F664 HydrophobicContact CD1-CB 4.02Å; I614-F664 HydrophobicContact CD1-CD2 4.44Å; I614-T667 HydrophobicContact CG2-CG2 4.46Å
615	V	90	Very high	85.9	Confident	23 Å²	23	36.3 Å²	36.3	14%	0.139	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	125.1	179.2	-175.4	0	0	0	0	108.9	T606 Y617 T657 R658 R659	T606-V615 PolarHBondContact N-O 3.09Å; T606-V615 PolarHBondContact O-N 3.34Å; T606-V615 PolarHBondContact OG1-O 3.08Å; V615-Y617 HydrophobicContact CB-CE2 4.23Å; V615-Y617 HydrophobicContact CG1-CD2 4.29Å; V615-Y617 HydrophobicContact CG1-CE1 4.07Å; V615-Y617 HydrophobicContact CG1-CE2 3.79Å; V615-T657 WeakPolarHBondContact CG1-OG1 3.3Å; V615-R658 WeakPolarHBondContact CA-O 3.42Å; V615-R659 HydrophobicContact CG2-CG 4.45Å
616	L	92	Very high	85.9	Confident	0 Å²	0	37.1 Å²	37.1	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	130.9	167.9	-174.3	73.9	0	0	0	108.6	V604 L605 T657 R658 V675 M679	V604-L616 WeakPolarHBondContact O-CA 3.45Å; L605-L616 HydrophobicContact CD2-CB 4.28Å; L605-L616 HydrophobicContact CD2-CD1 3.71Å; L605-L616 HydrophobicContact CG-CD1 4.21Å; L616-T657 CarbonylContact O-C 3.57Å; L616-T657 WeakPolarHBondContact O-CA 3.42Å; L616-T657 PolarHBondContact O-OG1 2.91Å; L616-R658 HydrophobicContact CB-CB 4.13Å; L616-R658 HydrophobicContact CD2-CB 4.36Å; L616-R658 PolarHBondContact N-O 3Å; L616-R658 PolarHBondContact O-N 2.98Å; L616-V675 HydrophobicContact CD1-CG1 3.54Å; L616-V675 HydrophobicContact CD2-CG1 3.9Å; L616-V675 VanDerWaalsContact CD2-O 3.29Å; L616-V675 WeakPolarHBondContact CD2-O 3.24Å; L616-V675 HydrophobicContact CG-CG1 4.28Å; L616-M679 HydrophobicContact CD2-CG 4.36Å; L616-M679 HydrophobicContact CD2-SD 3.81Å
617	Y	94.2	Very high	85.9	Confident	16 Å²	16	44 Å²	44	6%	0.063	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	129.9	164.7	-68.7	-71.3	0	0	0	109.1	R527 C528 S531 C532 S603 V604 T606 V615 L682	R527-Y617 HydrophobicContact CB-CE1 4.19Å; R527-Y617 HydrophobicContact CB-CE2 4.38Å; R527-Y617 WeakPolarHBondContact CB-OH 3.39Å; R527-Y617 WeakPolarHBondContact CD-OH 3.5Å; C528-Y617 HydrophobicContact CB-CD1 3.62Å; C528-Y617 HydrophobicContact CB-CE1 4.25Å; C528-Y617 HydrophobicContact CB-CG 4.18Å; S531-Y617 WeakPolarHBondContact OG-CD2 3.3Å; C532-Y617 PolarHBondContact SG-O 2.86Å; C532-Y617 VanDerWaalsContact SG-O 3.37Å; S603-Y617 CarbonylContact C-O 3.58Å; S603-Y617 WeakPolarHBondContact CA-O 3.38Å; V604-Y617 PolarHBondContact N-O 3.39Å; V604-Y617 PolarHBondContact O-N 2.94Å; T606-Y617 HydrophobicContact CG2-CD2 3.85Å; T606-Y617 HydrophobicContact CG2-CE2 4.32Å; T606-Y617 WeakPolarHBondContact OG1-CD2 3.23Å; T606-Y617 VanDerWaalsContact OG1-CE2 3.25Å; T606-Y617 WeakPolarHBondContact OG1-CE2 3.04Å; V615-Y617 HydrophobicContact CB-CE2 4.23Å; V615-Y617 HydrophobicContact CG1-CD2 4.29Å; V615-Y617 HydrophobicContact CG1-CE1 4.07Å; V615-Y617 HydrophobicContact CG1-CE2 3.79Å; Y617-L682 HydrophobicContact CD1-CD1 4.36Å
618	C	93.8	Very high	86	Confident	0 Å²	0	40.3 Å²	40.3	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	137.8	-178.2	-179.7	0	0	0	0	110.1	M602 L655 A656 M679	M602-C618 WeakPolarHBondContact O-CA 3.3Å; M602-C618 PolarHBondContact O-SG 3.03Å; C618-L655 WeakPolarHBondContact O-CA 3.46Å; C618-A656 PolarHBondContact N-O 3.29Å; C618-A656 PolarHBondContact O-N 3.27Å; C618-M679 HydrophobicContact CB-CE 4.16Å; C618-M679 HydrophobicContact CB-SD 3.56Å; C618-M679 VanDerWaalsContact CB-SD 3.56Å
619	K	93.2	Very high	86.4	Confident	7 Å²	7	38.3 Å²	38.3	3%	0.03	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	147.5	167.7	74.2	-176.3	-177.9	-172.5	0	111.2	C532 D548 M551 R601 M602 A654 L655	C532-K619 HydrophobicContact CB-CD 4.47Å; C532-K619 WeakPolarHBondContact O-CD 3.47Å; C532-K619 WeakPolarHBondContact O-CE 2.95Å; C532-K619 PolarHBondContact O-NZ 3.41Å; D548-K619 WeakPolarHBondContact OD1-CE 3.5Å; D548-K619 IonicContact OD1-NZ 3.86Å; D548-K619 PolarHBondContact OD1-NZ 2.78Å; D548-K619 IonicContact OD2-NZ 2.76Å; M551-K619 HydrophobicContact CE-CD 3.57Å; M551-K619 HydrophobicContact SD-CD 3.87Å; R601-K619 CarbonylContact C-O 3.58Å; R601-K619 WeakPolarHBondContact CA-O 3.49Å; M602-K619 HydrophobicContact CG-CD 4.17Å; M602-K619 HydrophobicContact CG-CG 3.5Å; M602-K619 PolarHBondContact N-O 2.6Å; M602-K619 PolarHBondContact O-N 3.12Å; M602-K619 VanDerWaalsContact O-O 3.05Å; M602-K619 HydrophobicContact SD-CD 4.29Å; M602-K619 WeakPolarHBondContact SD-CE 3.13Å; M602-K619 HydrophobicContact SD-CG 4.25Å; K619-A654 VanDerWaalsContact CA-O 3.31Å; K619-A654 WeakPolarHBondContact CA-O 3.45Å; K619-L655 HydrophobicContact CB-CD2 3.46Å; K619-L655 VanDerWaalsContact CB-CD2 3.46Å
620	G	90.8	Very high	87.1	Confident	2 Å²	2	35.3 Å²	35.3	2%	0.021	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	176.4	-167.3	179.2	0	0	0	0	0	114.1	Q600 A654	Q600-G620 CarbonylContact O-C 3.37Å; Q600-G620 VanDerWaalsContact O-CA 3.31Å; Q600-G620 WeakPolarHBondContact O-CA 3.41Å; G620-A654 PolarHBondContact N-O 2.87Å; G620-A654 VanDerWaalsContact N-O 3.1Å; G620-A654 PolarHBondContact O-N 3.36Å
621	A	87.3	Confident	87.7	Confident	17 Å²	17	34.3 Å²	34.3	14%	0.14	20%	0.203	C	C	.	.			trans	-60.4	130.4	174.8	0	0	0	0	0	110	Q600 E623 T624 V625	Q600-A621 HydrophobicContact CB-CB 3.73Å; Q600-A621 PolarHBondContact O-N 3.3Å; A621-E623 VanDerWaalsContact C-N 3.29Å; A621-E623 WeakPolarHBondContact CB-OE1 3.23Å; A621-E623 PolarHBondContact O-N 3.1Å; A621-T624 WeakPolarHBondContact O-CB 3.3Å; A621-T624 PolarHBondContact O-N 3.16Å; A621-V625 PolarHBondContact O-N 3.24Å
622	P	87.9	Confident	88	Confident	8 Å²	8	40.2 Å²	40.2	5%	0.052	23%	0.232	C	C	.	.	H	α-helix	trans	-51.1	-45.3	-176.5	-30.4	37.8	0	0	0	114	T624 V625 A626 Y638 L642 V652 A654	P622-T624 PolarHBondContact O-N 3.39Å; P622-V625 PolarHBondContact O-N 3.4Å; P622-A626 WeakPolarHBondContact O-CB 3.26Å; P622-A626 PolarHBondContact O-N 3.45Å; P622-Y638 WeakPolarHBondContact CA-OH 3.07Å; P622-Y638 VanDerWaalsContact CB-OH 3.28Å; P622-Y638 WeakPolarHBondContact CB-OH 3.16Å; P622-Y638 PolarHBondContact O-OH 2.78Å; P622-Y638 VanDerWaalsContact O-OH 3.04Å; P622-L642 HydrophobicContact CB-CD1 3.56Å; P622-L642 HydrophobicContact CB-CD2 3.53Å; P622-L642 HydrophobicContact CB-CG 4.19Å; P622-L642 HydrophobicContact CG-CD1 3.57Å; P622-L642 HydrophobicContact CG-CD2 4.44Å; P622-V652 WeakPolarHBondContact CD-O 3.34Å; P622-V652 HydrophobicContact CG-CB 4.27Å; P622-V652 HydrophobicContact CG-CG1 4.04Å; P622-A654 HydrophobicContact CB-CB 4.22Å; P622-A654 HydrophobicContact CG-CB 4.35Å
623	E	83.5	Confident	88.5	Confident	77 Å²	77	36.7 Å²	36.7	36%	0.36	21%	0.207	S	C	.	.	H	α-helix	trans	-62.8	-25.1	178.6	67.1	-84	-164.6	0	0	114	A621 K627	A621-E623 VanDerWaalsContact C-N 3.29Å; A621-E623 WeakPolarHBondContact CB-OE1 3.23Å; A621-E623 PolarHBondContact O-N 3.1Å; E623-K627 VanDerWaalsContact O-CD 3.31Å; E623-K627 WeakPolarHBondContact O-CD 3.39Å; E623-K627 WeakPolarHBondContact O-CE 3.49Å; E623-K627 VanDerWaalsContact O-CG 3.28Å; E623-K627 WeakPolarHBondContact O-CG 3.14Å
624	T	86.3	Confident	88.6	Confident	16 Å²	16	35 Å²	35	10%	0.098	20%	0.198	C	C	.	.	H	α-helix	trans	-88.4	-48.8	178.9	-61.9	0	0	0	0	110.2	L599 Q600 R601 A621 P622 A626 K627 L628	L599-T624 WeakPolarHBondContact O-CG2 3.25Å; Q600-T624 PolarHBondContact OE1-OG1 2.85Å; R601-T624 HydrophobicContact CB-CG2 4.44Å; R601-T624 HydrophobicContact CG-CG2 4.37Å; R601-T624 VanDerWaalsContact NH1-CG2 3.34Å; A621-T624 WeakPolarHBondContact O-CB 3.3Å; A621-T624 PolarHBondContact O-N 3.16Å; P622-T624 PolarHBondContact O-N 3.39Å; T624-A626 VanDerWaalsContact C-N 3.34Å; T624-A626 PolarHBondContact O-N 3.24Å; T624-K627 PolarHBondContact O-N 2.88Å; T624-L628 WeakPolarHBondContact O-CG 3.32Å
625	V	90.3	Very high	88.3	Confident	0 Å²	0	36.1 Å²	36.1	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-64.2	-41.8	-178.1	177.4	0	0	0	0	110.3	A621 P622 K627 L628 C629 A654 A656	A621-V625 PolarHBondContact O-N 3.24Å; P622-V625 PolarHBondContact O-N 3.4Å; V625-K627 VanDerWaalsContact C-N 3.28Å; V625-K627 PolarHBondContact O-N 3.41Å; V625-L628 PolarHBondContact O-N 3.21Å; V625-C629 PolarHBondContact O-N 3.11Å; V625-C629 VanDerWaalsContact O-N 3.1Å; V625-C629 PolarHBondContact O-SG 2.86Å; V625-A654 HydrophobicContact CB-CB 3.7Å; V625-A654 HydrophobicContact CG1-CB 3.91Å; V625-A654 HydrophobicContact CG2-CB 4.07Å; V625-A656 HydrophobicContact CG1-CB 3.6Å
626	A	88.7	Confident	87.7	Confident	17 Å²	17	41.4 Å²	41.4	14%	0.14	24%	0.243	C	C	.	.	H	α-helix	trans	-58.4	-36.7	177.5	0	0	0	0	0	113.2	P622 T624 L628 C629 L634 Y638	P622-A626 WeakPolarHBondContact O-CB 3.26Å; P622-A626 PolarHBondContact O-N 3.45Å; T624-A626 VanDerWaalsContact C-N 3.34Å; T624-A626 PolarHBondContact O-N 3.24Å; A626-L628 PolarHBondContact O-N 2.87Å; A626-C629 PolarHBondContact O-N 3.32Å; A626-L634 HydrophobicContact CB-CD1 4.21Å; A626-L634 HydrophobicContact CB-CD2 4.18Å; A626-Y638 HydrophobicContact CB-CE1 3.86Å
627	K	88.7	Confident	86.9	Confident	146 Å²	146	44.5 Å²	44.5	64%	0.635	26%	0.26	S	S	*	.	H	α-helix	trans	-67.4	-21.8	177.1	-72.1	173.9	-175.9	178.5	0	113.5	E623 T624 V625	E623-K627 VanDerWaalsContact O-CD 3.31Å; E623-K627 WeakPolarHBondContact O-CD 3.39Å; E623-K627 WeakPolarHBondContact O-CE 3.49Å; E623-K627 VanDerWaalsContact O-CG 3.28Å; E623-K627 WeakPolarHBondContact O-CG 3.14Å; T624-K627 PolarHBondContact O-N 2.88Å; V625-K627 VanDerWaalsContact C-N 3.28Å; V625-K627 PolarHBondContact O-N 3.41Å
628	L	90.8	Very high	86.4	Confident	37 Å²	37	44.6 Å²	44.6	19%	0.194	26%	0.26	C	S	.	.	H	α-helix	trans	-100.1	-9.5	-178.9	-56.2	172.6	0	0	0	112.1	R601 T624 V625 A626 E676 E678 M679	R601-L628 VanDerWaalsContact CD-CD1 3.45Å; R601-L628 VanDerWaalsContact NE-CD1 3.34Å; T624-L628 WeakPolarHBondContact O-CG 3.32Å; V625-L628 PolarHBondContact O-N 3.21Å; A626-L628 PolarHBondContact O-N 2.87Å; L628-E676 HydrophobicContact CD1-CB 4.48Å; L628-E676 WeakPolarHBondContact CD2-O 3.47Å; L628-E678 PolarHBondContact O-N 3.23Å; L628-M679 HydrophobicContact CB-CE 3.34Å; L628-M679 HydrophobicContact CD1-CE 3.85Å; L628-M679 HydrophobicContact CG-CE 4.25Å; L628-M679 PolarHBondContact O-N 3.01Å
629	C	91.5	Very high	85.7	Confident	14 Å²	14	52.3 Å²	52.3	10%	0.095	30%	0.296	C	S	.	.	B	Isolated β-bridge	trans	-82.5	152.2	175.2	-68.3	0	0	0	0	111.4	V625 A626 L634 M679 F681	V625-C629 PolarHBondContact O-N 3.11Å; V625-C629 VanDerWaalsContact O-N 3.1Å; V625-C629 PolarHBondContact O-SG 2.86Å; A626-C629 PolarHBondContact O-N 3.32Å; C629-L634 HydrophobicContact CB-CD2 4.47Å; C629-L634 HydrophobicContact CB-CG 4.32Å; C629-M679 CarbonylContact C-O 3.53Å; C629-M679 WeakPolarHBondContact CA-O 3.37Å; C629-M679 WeakPolarHBondContact CB-O 3.3Å; C629-F681 HydrophobicContact CB-CB 4.37Å
630	V	89.2	Confident	85	Confident	56 Å²	56	57.1 Å²	57.1	34%	0.339	32%	0.319	S	S	.	.			trans	-65.4	132.9	167.8	-175.2	0	0	0	0	108.4	D632 S633 E678 M679	V630-D632 HydrophobicContact CG1-CB 4.47Å; V630-D632 PolarHBondContact O-N 3Å; V630-S633 WeakPolarHBondContact O-CB 3.18Å; V630-S633 PolarHBondContact O-N 2.75Å; V630-S633 PolarHBondContact O-OG 3.42Å; V630-E678 HydrophobicContact CG2-CB 4.06Å; V630-M679 PolarHBondContact N-O 3.38Å
631	A	84.1	Confident	84.3	Confident	76 Å²	76	57.5 Å²	57.5	63%	0.628	32%	0.321	S	S	*	.	G	3₁₀ helix	trans	-55.3	-37	-175.3	0	0	0	0	0	113	S633 L634	A631-S633 VanDerWaalsContact C-N 3.27Å; A631-S633 PolarHBondContact O-N 3.01Å; A631-L634 PolarHBondContact O-N 2.87Å
632	D	82.9	Confident	84.1	Confident	158 Å²	158	58 Å²	58	85%	0.845	32%	0.321	S	S	*	.	G	3₁₀ helix	trans	-68.6	-22.6	179.7	-64.6	-20.4	0	0	0	113.7	V630 L634	V630-D632 HydrophobicContact CG1-CB 4.47Å; V630-D632 PolarHBondContact O-N 3Å; D632-L634 VanDerWaalsContact C-N 3.33Å
633	S	84	Confident	83.4	Confident	22 Å²	22	58.9 Å²	58.9	15%	0.154	33%	0.327	C	S	.	.	G	3₁₀ helix	trans	-78.1	-20.3	175.9	75.6	0	0	0	0	112.6	V630 A631 F681	V630-S633 WeakPolarHBondContact O-CB 3.18Å; V630-S633 PolarHBondContact O-N 2.75Å; V630-S633 PolarHBondContact O-OG 3.42Å; A631-S633 VanDerWaalsContact C-N 3.27Å; A631-S633 PolarHBondContact O-N 3.01Å; S633-F681 PolarHBondContact OG-N 2.78Å
634	L	84.7	Confident	82.9	Confident	40 Å²	40	56.1 Å²	56.1	21%	0.209	32%	0.316	C	S	.	.	S	Bend	trans	-81.8	129.7	178.9	-69.4	166.4	0	0	0	109.8	A626 C629 A631 D632 Y638 F681	A626-L634 HydrophobicContact CB-CD1 4.21Å; A626-L634 HydrophobicContact CB-CD2 4.18Å; C629-L634 HydrophobicContact CB-CD2 4.47Å; C629-L634 HydrophobicContact CB-CG 4.32Å; A631-L634 PolarHBondContact O-N 2.87Å; D632-L634 VanDerWaalsContact C-N 3.33Å; L634-Y638 HydrophobicContact CD2-CD2 3.98Å; L634-Y638 HydrophobicContact CD2-CE2 4.08Å; L634-Y638 HydrophobicContact CD2-CG 4.24Å; L634-F681 HydrophobicContact CD2-CB 3.85Å; L634-F681 HydrophobicContact CD2-CD1 4.19Å; L634-F681 HydrophobicContact CD2-CD2 3.86Å; L634-F681 HydrophobicContact CD2-CG 3.69Å; L634-F681 HydrophobicContact CG-CB 4.43Å
635	P	80.4	Confident	82.5	Confident	26 Å²	26	55.8 Å²	55.8	17%	0.169	31%	0.314	C	S	.	.			trans	-68.2	147.7	177.1	28.1	-33.2	0	0	0	110.9	D637 Y638 F681	P635-D637 PolarHBondContact O-N 2.98Å; P635-D637 VanDerWaalsContact O-N 3.11Å; P635-Y638 WeakPolarHBondContact O-CB 3.36Å; P635-Y638 PolarHBondContact O-N 3.08Å; P635-F681 HydrophobicContact CG-CE1 4.5Å
636	S	77.5	Confident	81.6	Confident	134 Å²	134	57.6 Å²	57.6	94%	0.937	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-20.7	-177.1	54.2	0	0	0	0	114.5
637	D	75.1	Confident	80.4	Confident	65 Å²	65	62.9 Å²	62.9	35%	0.348	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100	15	175	71.7	-26.5	0	0	0	113.4	R489 P635 E639 H640 T641	R489-D637 IonicContact NH1-OD1 3.14Å; R489-D637 PolarHBondContact NH1-OD1 3.35Å; R489-D637 IonicContact NH1-OD2 2.66Å; R489-D637 PolarHBondContact NH1-OD2 3.03Å; P635-D637 PolarHBondContact O-N 2.98Å; P635-D637 VanDerWaalsContact O-N 3.11Å; D637-E639 PolarHBondContact O-N 2.77Å; D637-H640 PolarHBondContact O-N 2.87Å; D637-T641 WeakPolarHBondContact O-CB 3.34Å; D637-T641 PolarHBondContact O-N 3.17Å; D637-T641 PolarHBondContact O-OG1 2.97Å; D637-T641 PolarHBondContact OD2-OG1 3.11Å
638	Y	83.1	Confident	79.4	Confident	19 Å²	19	60.4 Å²	60.4	8%	0.075	33%	0.33	C	S	.	.	H	α-helix	trans	-51.6	-55.2	-177.8	173.6	-98.7	0	0	0	112.3	P622 A626 L634 P635 H640 T641 L642 F681 L684	P622-Y638 WeakPolarHBondContact CA-OH 3.07Å; P622-Y638 VanDerWaalsContact CB-OH 3.28Å; P622-Y638 WeakPolarHBondContact CB-OH 3.16Å; P622-Y638 PolarHBondContact O-OH 2.78Å; P622-Y638 VanDerWaalsContact O-OH 3.04Å; A626-Y638 HydrophobicContact CB-CE1 3.86Å; L634-Y638 HydrophobicContact CD2-CD2 3.98Å; L634-Y638 HydrophobicContact CD2-CE2 4.08Å; L634-Y638 HydrophobicContact CD2-CG 4.24Å; P635-Y638 WeakPolarHBondContact O-CB 3.36Å; P635-Y638 PolarHBondContact O-N 3.08Å; Y638-H640 VanDerWaalsContact C-N 3.34Å; Y638-H640 PolarHBondContact O-N 2.99Å; Y638-T641 PolarHBondContact O-N 3.07Å; Y638-L642 HydrophobicContact CE1-CD2 4.01Å; Y638-L642 WeakPolarHBondContact O-CB 3.48Å; Y638-L642 PolarHBondContact O-N 3.16Å; Y638-F681 HydrophobicContact CD2-CE1 4.13Å; Y638-F681 HydrophobicContact CD2-CE2 4.39Å; Y638-F681 AromaticContact CD2-CZ 3.94Å; Y638-F681 HydrophobicContact CD2-CZ 3.94Å; Y638-F681 HydrophobicContact CE2-CD2 4.43Å; Y638-F681 HydrophobicContact CE2-CE1 4.21Å; Y638-F681 AromaticContact CE2-CE2 3.68Å; Y638-F681 HydrophobicContact CE2-CE2 3.68Å; Y638-F681 AromaticContact CE2-CZ 3.56Å; Y638-F681 HydrophobicContact CE2-CZ 3.56Å; Y638-L684 HydrophobicContact CE2-CD2 4.1Å
639	E	80.5	Confident	78.1	Confident	161 Å²	161	59 Å²	59	75%	0.752	32%	0.324	S	S	*	.	H	α-helix	trans	-62.3	-41.9	-178	-67.4	-172.5	165.6	0	0	111.6	D637 T641 S643	D637-E639 PolarHBondContact O-N 2.77Å; E639-T641 PolarHBondContact O-N 2.7Å; E639-S643 WeakPolarHBondContact O-CB 3.35Å; E639-S643 PolarHBondContact O-N 3.2Å
640	H	77	Confident	77.5	Confident	109 Å²	109	60 Å²	60	51%	0.505	33%	0.326	S	S	.	.	H	α-helix	trans	-63.2	-43	178	-179.6	-90.9	0	0	0	111.7	D637 Y638 S644	D637-H640 PolarHBondContact O-N 2.87Å; Y638-H640 VanDerWaalsContact C-N 3.34Å; Y638-H640 PolarHBondContact O-N 2.99Å; H640-S644 WeakPolarHBondContact O-CB 3.45Å; H640-S644 PolarHBondContact O-N 3.41Å
641	T	77.2	Confident	76.9	Confident	10 Å²	10	61 Å²	61	6%	0.061	32%	0.324	C	S	.	.	H	α-helix	trans	-66.1	-51.6	179	-57.1	0	0	0	0	111.1	R489 D637 Y638 E639 S643 S644 F645 L684	R489-T641 PolarHBondContact NH1-OG1 2.76Å; D637-T641 WeakPolarHBondContact O-CB 3.34Å; D637-T641 PolarHBondContact O-N 3.17Å; D637-T641 PolarHBondContact O-OG1 2.97Å; D637-T641 PolarHBondContact OD2-OG1 3.11Å; Y638-T641 PolarHBondContact O-N 3.07Å; E639-T641 PolarHBondContact O-N 2.7Å; T641-S643 VanDerWaalsContact C-N 3.31Å; T641-S643 PolarHBondContact O-N 3.22Å; T641-S644 WeakPolarHBondContact O-CB 3.42Å; T641-S644 PolarHBondContact O-N 3.01Å; T641-S644 PolarHBondContact O-OG 3.18Å; T641-F645 HydrophobicContact CG2-CD2 3.97Å; T641-F645 HydrophobicContact CG2-CE2 3.58Å; T641-F645 VanDerWaalsContact O-CD2 3.29Å; T641-F645 WeakPolarHBondContact O-CD2 3.36Å; T641-F645 PolarHBondContact O-N 3.48Å; T641-F645 VanDerWaalsContact O-N 3.16Å; T641-L684 HydrophobicContact CG2-CD1 4.19Å
642	L	81.6	Confident	76.9	Confident	26 Å²	26	58 Å²	58	14%	0.136	30%	0.298	C	S	.	.	H	α-helix	trans	-56.6	-47.7	176.3	173.8	62.3	0	0	0	110.7	P622 Y638 S644 F645 T646 V652 L684	P622-L642 HydrophobicContact CB-CD1 3.56Å; P622-L642 HydrophobicContact CB-CD2 3.53Å; P622-L642 HydrophobicContact CB-CG 4.19Å; P622-L642 HydrophobicContact CG-CD1 3.57Å; P622-L642 HydrophobicContact CG-CD2 4.44Å; Y638-L642 HydrophobicContact CE1-CD2 4.01Å; Y638-L642 WeakPolarHBondContact O-CB 3.48Å; Y638-L642 PolarHBondContact O-N 3.16Å; L642-S644 VanDerWaalsContact C-N 3.28Å; L642-S644 PolarHBondContact O-N 2.9Å; L642-F645 PolarHBondContact O-N 3.44Å; L642-T646 HydrophobicContact CD1-CG2 3.76Å; L642-T646 HydrophobicContact CG-CG2 4.29Å; L642-T646 WeakPolarHBondContact O-CB 3.42Å; L642-T646 WeakPolarHBondContact O-CG2 3.47Å; L642-T646 PolarHBondContact O-N 2.58Å; L642-T646 PolarHBondContact O-OG1 3.29Å; L642-V652 HydrophobicContact CD1-CB 4.09Å; L642-V652 HydrophobicContact CD1-CG1 3.8Å; L642-V652 HydrophobicContact CD1-CG2 4.47Å; L642-L684 HydrophobicContact CB-CD1 4.46Å
643	S	73.5	Confident	77.2	Confident	28 Å²	28	51.4 Å²	51.4	20%	0.196	26%	0.262	C	S	.	.	H	α-helix	trans	-59.1	-38.7	175.7	-179.5	0	0	0	0	111.2	E639 T641 F645 T646 R647	E639-S643 WeakPolarHBondContact O-CB 3.35Å; E639-S643 PolarHBondContact O-N 3.2Å; T641-S643 VanDerWaalsContact C-N 3.31Å; T641-S643 PolarHBondContact O-N 3.22Å; S643-F645 PolarHBondContact O-N 2.9Å; S643-T646 VanDerWaalsContact CA-OG1 3.3Å; S643-T646 WeakPolarHBondContact CA-OG1 3.32Å; S643-T646 PolarHBondContact O-OG1 3.31Å; S643-R647 WeakPolarHBondContact O-CB 3.13Å; S643-R647 WeakPolarHBondContact O-CG 3.41Å; S643-R647 PolarHBondContact O-N 2.86Å; S643-R647 PolarHBondContact O-NE 2.95Å; S643-R647 PolarHBondContact OG-NE 3.3Å; S643-R647 PolarHBondContact OG-NH2 3.25Å
644	S	74.1	Confident	77.6	Confident	18 Å²	18	50.3 Å²	50.3	13%	0.126	26%	0.255	C	S	.	.	H	α-helix	trans	-64.8	-39	178.2	79.3	0	0	0	0	113.8	H640 T641 L642 K648	H640-S644 WeakPolarHBondContact O-CB 3.45Å; H640-S644 PolarHBondContact O-N 3.41Å; T641-S644 WeakPolarHBondContact O-CB 3.42Å; T641-S644 PolarHBondContact O-N 3.01Å; T641-S644 PolarHBondContact O-OG 3.18Å; L642-S644 VanDerWaalsContact C-N 3.28Å; L642-S644 PolarHBondContact O-N 2.9Å; S644-K648 WeakPolarHBondContact O-CG 3.42Å; S644-K648 PolarHBondContact O-N 2.92Å
645	F	78.2	Confident	78	Confident	10 Å²	10	48.4 Å²	48.4	4%	0.044	25%	0.245	C	C	.	.	H	α-helix	trans	-77.4	-44.6	178	-70.4	-63.1	0	0	0	112	V484 I504 T641 L642 S643 R647 K648 G649 Y650 V652 V686	V484-F645 HydrophobicContact CG2-CE2 3.78Å; V484-F645 HydrophobicContact CG2-CZ 3.75Å; I504-F645 HydrophobicContact CD1-CE1 4.33Å; I504-F645 HydrophobicContact CD1-CZ 3.92Å; T641-F645 HydrophobicContact CG2-CD2 3.97Å; T641-F645 HydrophobicContact CG2-CE2 3.58Å; T641-F645 VanDerWaalsContact O-CD2 3.29Å; T641-F645 WeakPolarHBondContact O-CD2 3.36Å; T641-F645 PolarHBondContact O-N 3.48Å; T641-F645 VanDerWaalsContact O-N 3.16Å; L642-F645 PolarHBondContact O-N 3.44Å; S643-F645 PolarHBondContact O-N 2.9Å; F645-R647 VanDerWaalsContact C-N 3.35Å; F645-R647 PolarHBondContact O-N 3.15Å; F645-K648 PolarHBondContact O-N 2.79Å; F645-K648 VanDerWaalsContact O-N 3.12Å; F645-G649 PolarHBondContact O-N 3.21Å; F645-Y650 HydrophobicContact CB-CD2 4.39Å; F645-Y650 AromaticContact CD1-CD2 3.96Å; F645-Y650 HydrophobicContact CD1-CD2 3.96Å; F645-Y650 HydrophobicContact CD1-CE2 4.49Å; F645-Y650 PolarHBondContact O-N 3.09Å; F645-Y650 VanDerWaalsContact O-N 3.16Å; F645-V652 HydrophobicContact CB-CG2 3.57Å; F645-V686 HydrophobicContact CD1-CG1 3.82Å; F645-V686 HydrophobicContact CD1-CG2 3.9Å; F645-V686 HydrophobicContact CD2-CG2 4.11Å; F645-V686 HydrophobicContact CE1-CG1 4.27Å; F645-V686 HydrophobicContact CE1-CG2 3.95Å; F645-V686 HydrophobicContact CE2-CG2 4.15Å; F645-V686 HydrophobicContact CG-CG1 4.35Å; F645-V686 HydrophobicContact CG-CG2 4Å; F645-V686 HydrophobicContact CZ-CG2 4.08Å
646	T	70.7	Confident	78.6	Confident	38 Å²	38	47.2 Å²	47.2	23%	0.233	24%	0.237	C	C	.	.	H	α-helix	trans	-65.4	-36.1	177.7	53	0	0	0	0	112	L642 S643 K648 G649 V652	L642-T646 HydrophobicContact CD1-CG2 3.76Å; L642-T646 HydrophobicContact CG-CG2 4.29Å; L642-T646 WeakPolarHBondContact O-CB 3.42Å; L642-T646 WeakPolarHBondContact O-CG2 3.47Å; L642-T646 PolarHBondContact O-N 2.58Å; L642-T646 PolarHBondContact O-OG1 3.29Å; S643-T646 VanDerWaalsContact CA-OG1 3.3Å; S643-T646 WeakPolarHBondContact CA-OG1 3.32Å; S643-T646 PolarHBondContact O-OG1 3.31Å; T646-K648 VanDerWaalsContact C-N 3.26Å; T646-K648 PolarHBondContact O-N 3.17Å; T646-G649 WeakPolarHBondContact O-CA 3.28Å; T646-G649 PolarHBondContact O-N 3.2Å; T646-V652 HydrophobicContact CG2-CB 4.41Å; T646-V652 HydrophobicContact CG2-CG2 3.99Å
647	R	64.3	Low	79.3	Confident	127 Å²	127	41.6 Å²	41.6	48%	0.479	20%	0.197	S	C	.	.	H	α-helix	trans	-63.1	-29.3	171.6	-78.7	-179.6	-70	-160.8	-1.5	113.5	S643 F645	S643-R647 WeakPolarHBondContact O-CB 3.13Å; S643-R647 WeakPolarHBondContact O-CG 3.41Å; S643-R647 PolarHBondContact O-N 2.86Å; S643-R647 PolarHBondContact O-NE 2.95Å; S643-R647 PolarHBondContact OG-NE 3.3Å; S643-R647 PolarHBondContact OG-NH2 3.25Å; F645-R647 VanDerWaalsContact C-N 3.35Å; F645-R647 PolarHBondContact O-N 3.15Å
648	K	67.3	Low	80.1	Confident	95 Å²	95	40.4 Å²	40.4	41%	0.413	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.8	-1	173.3	-71.9	179.7	176.8	-175.5	0	112.9	Y501 S644 F645 T646 Y650 C722	Y501-K648 PolarHBondContact OH-NZ 2.86Å; S644-K648 WeakPolarHBondContact O-CG 3.42Å; S644-K648 PolarHBondContact O-N 2.92Å; F645-K648 PolarHBondContact O-N 2.79Å; F645-K648 VanDerWaalsContact O-N 3.12Å; T646-K648 VanDerWaalsContact C-N 3.26Å; T646-K648 PolarHBondContact O-N 3.17Å; K648-Y650 VanDerWaalsContact C-N 3.35Å; K648-Y650 HydrophobicContact CB-CD2 3.64Å; K648-Y650 HydrophobicContact CB-CE2 3.52Å; K648-Y650 HydrophobicContact CD-CD2 4.45Å; K648-Y650 HydrophobicContact CD-CE2 3.77Å; K648-Y650 HydrophobicContact CG-CE2 4.3Å; K648-C722 PolarHBondContact O-SG 3.31Å
649	G	63.7	Low	80.4	Confident	6 Å²	6	48.8 Å²	48.8	6%	0.062	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	85.6	1.7	177.8	0	0	0	0	0	115.7	F645 T646 C722	F645-G649 PolarHBondContact O-N 3.21Å; T646-G649 WeakPolarHBondContact O-CA 3.28Å; T646-G649 PolarHBondContact O-N 3.2Å; G649-C722 WeakPolarHBondContact CA-SG 3.49Å
650	Y	77.9	Confident	80.6	Confident	35 Å²	35	42.1 Å²	42.1	14%	0.137	19%	0.189	C	C	.	.			trans	-65.4	142.1	-180	-60.8	-54.9	0	0	0	110.8	L481 Y501 F645 K648 V652 V686 M687 D688	L481-Y650 HydrophobicContact CD1-CD1 3.33Å; L481-Y650 HydrophobicContact CD1-CE1 3.23Å; L481-Y650 HydrophobicContact CD1-CG 4.1Å; Y501-Y650 PolarHBondContact OH-OH 3.18Å; F645-Y650 HydrophobicContact CB-CD2 4.39Å; F645-Y650 AromaticContact CD1-CD2 3.96Å; F645-Y650 HydrophobicContact CD1-CD2 3.96Å; F645-Y650 HydrophobicContact CD1-CE2 4.49Å; F645-Y650 PolarHBondContact O-N 3.09Å; F645-Y650 VanDerWaalsContact O-N 3.16Å; K648-Y650 VanDerWaalsContact C-N 3.35Å; K648-Y650 HydrophobicContact CB-CD2 3.64Å; K648-Y650 HydrophobicContact CB-CE2 3.52Å; K648-Y650 HydrophobicContact CD-CD2 4.45Å; K648-Y650 HydrophobicContact CD-CE2 3.77Å; K648-Y650 HydrophobicContact CG-CE2 4.3Å; Y650-V652 PolarHBondContact O-N 3.43Å; Y650-V686 HydrophobicContact CD1-CG1 4.36Å; Y650-V686 HydrophobicContact CD2-CG1 3.96Å; Y650-V686 HydrophobicContact CG-CG1 3.7Å; Y650-M687 CarbonylContact C-O 3.57Å; Y650-M687 WeakPolarHBondContact CA-O 3.22Å; Y650-M687 WeakPolarHBondContact CB-O 3.45Å; Y650-D688 HydrophobicContact CD1-CB 4.01Å; Y650-D688 HydrophobicContact CE1-CB 4.2Å
651	R	77.6	Confident	80.6	Confident	78 Å²	78	46.1 Å²	46.1	29%	0.294	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	113.3	169.4	-173.3	178.5	-177.9	133.7	-8.1	107.5	L478 M687 D715	L478-R651 VanDerWaalsContact CD2-CD 3.47Å; R651-M687 HydrophobicContact CB-CB 4.33Å; R651-M687 HydrophobicContact CB-CE 4.35Å; R651-M687 HydrophobicContact CG-CE 3.96Å; R651-M687 PolarHBondContact N-O 2.89Å; R651-M687 PolarHBondContact O-N 3.44Å; R651-D715 IonicContact NH1-OD1 3.07Å; R651-D715 PolarHBondContact NH1-OD1 2.95Å
652	V	84.6	Confident	80.4	Confident	14 Å²	14	47.5 Å²	47.5	9%	0.085	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	133	-177.6	-172.6	0	0	0	0	110.1	P622 L642 F645 T646 Y650 L684 L685	P622-V652 WeakPolarHBondContact CD-O 3.34Å; P622-V652 HydrophobicContact CG-CB 4.27Å; P622-V652 HydrophobicContact CG-CG1 4.04Å; L642-V652 HydrophobicContact CD1-CB 4.09Å; L642-V652 HydrophobicContact CD1-CG1 3.8Å; L642-V652 HydrophobicContact CD1-CG2 4.47Å; F645-V652 HydrophobicContact CB-CG2 3.57Å; T646-V652 HydrophobicContact CG2-CB 4.41Å; T646-V652 HydrophobicContact CG2-CG2 3.99Å; Y650-V652 PolarHBondContact O-N 3.43Å; V652-L684 HydrophobicContact CG1-CB 3.99Å; V652-L684 HydrophobicContact CG1-CD1 4.18Å; V652-L684 HydrophobicContact CG1-CD2 3.9Å; V652-L684 HydrophobicContact CG1-CG 4.24Å; V652-L685 CarbonylContact C-O 3.48Å; V652-L685 VanDerWaalsContact CA-O 3.28Å; V652-L685 WeakPolarHBondContact CA-O 3.34Å
653	L	88.6	Confident	79.8	Confident	18 Å²	18	48.6 Å²	48.6	9%	0.094	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	139.3	169.6	-63.2	168.2	0	0	0	109.7	L547 M551 L684 L685 M687	L547-L653 HydrophobicContact CD1-CD1 3.69Å; L547-L653 HydrophobicContact CD1-CD2 4.27Å; L547-L653 HydrophobicContact CD1-CG 4.44Å; L547-L653 HydrophobicContact CD2-CD1 3.77Å; L547-L653 HydrophobicContact CG-CD1 3.87Å; M551-L653 HydrophobicContact SD-CD1 4.1Å; L653-L684 CarbonylContact O-C 3.6Å; L653-L684 VanDerWaalsContact O-CA 3.28Å; L653-L684 WeakPolarHBondContact O-CA 3.28Å; L653-L685 HydrophobicContact CB-CB 4.27Å; L653-L685 HydrophobicContact CD1-CD1 4.38Å; L653-L685 PolarHBondContact N-O 3.2Å; L653-L685 PolarHBondContact O-N 3.08Å; L653-M687 HydrophobicContact CD1-CE 3.44Å; L653-M687 VanDerWaalsContact CD1-CE 3.44Å; L653-M687 HydrophobicContact CG-CE 3.73Å
654	A	91.8	Very high	79.6	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	141	168.7	0	0	0	0	0	110.5	K619 G620 P622 V625 F681 L684	K619-A654 VanDerWaalsContact CA-O 3.31Å; K619-A654 WeakPolarHBondContact CA-O 3.45Å; G620-A654 PolarHBondContact N-O 2.87Å; G620-A654 VanDerWaalsContact N-O 3.1Å; G620-A654 PolarHBondContact O-N 3.36Å; P622-A654 HydrophobicContact CB-CB 4.22Å; P622-A654 HydrophobicContact CG-CB 4.35Å; V625-A654 HydrophobicContact CB-CB 3.7Å; V625-A654 HydrophobicContact CG1-CB 3.91Å; V625-A654 HydrophobicContact CG2-CB 4.07Å; A654-F681 HydrophobicContact CB-CE2 3.9Å; A654-L684 HydrophobicContact CB-CD2 4.1Å
655	L	93.2	Very high	79.4	Confident	0 Å²	0	55.8 Å²	55.8	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	139.7	172.8	-56.3	-177.5	0	0	0	109.7	I525 C528 M529 C618 K619 L682 G683 L685	I525-L655 HydrophobicContact CB-CD1 4.44Å; I525-L655 HydrophobicContact CG1-CD1 4.42Å; I525-L655 HydrophobicContact CG2-CD1 3.88Å; C528-L655 HydrophobicContact CB-CD1 4.34Å; M529-L655 HydrophobicContact CG-CD1 4.41Å; C618-L655 WeakPolarHBondContact O-CA 3.46Å; K619-L655 HydrophobicContact CB-CD2 3.46Å; K619-L655 VanDerWaalsContact CB-CD2 3.46Å; L655-L682 HydrophobicContact CB-CB 4.1Å; L655-L682 HydrophobicContact CB-CD1 4.48Å; L655-L682 PolarHBondContact O-N 3.39Å; L655-G683 PolarHBondContact N-O 3Å; L655-G683 PolarHBondContact O-N 3.46Å; L655-L685 HydrophobicContact CD1-CD1 3.91Å; L655-L685 HydrophobicContact CD1-CD2 3.9Å; L655-L685 HydrophobicContact CD1-CG 3.78Å; L655-L685 HydrophobicContact CD2-CD1 3.88Å; L655-L685 HydrophobicContact CD2-CG 4.32Å; L655-L685 HydrophobicContact CG-CD1 4.13Å; L655-L685 HydrophobicContact CG-CG 4.04Å
656	A	92.9	Very high	79.2	Confident	0 Å²	0	62.6 Å²	62.6	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	160	175.3	0	0	0	0	0	110.6	C618 V625 M679 D680	C618-A656 PolarHBondContact N-O 3.29Å; C618-A656 PolarHBondContact O-N 3.27Å; V625-A656 HydrophobicContact CG1-CB 3.6Å; A656-M679 HydrophobicContact CB-CB 3.94Å; A656-M679 HydrophobicContact CB-SD 4.25Å; A656-D680 CarbonylContact C-O 3.52Å; A656-D680 WeakPolarHBondContact CA-O 3.05Å; A656-D680 WeakPolarHBondContact CB-O 3.46Å
657	T	93	Very high	79.3	Confident	17 Å²	17	60.8 Å²	60.8	10%	0.104	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	159.1	176.2	-170.5	0	0	0	0	111.4	V615 L616 M679 D680 L682	V615-T657 WeakPolarHBondContact CG1-OG1 3.3Å; L616-T657 CarbonylContact O-C 3.57Å; L616-T657 WeakPolarHBondContact O-CA 3.42Å; L616-T657 PolarHBondContact O-OG1 2.91Å; T657-M679 CarbonylContact O-C 3.49Å; T657-M679 WeakPolarHBondContact O-CA 3.16Å; T657-M679 WeakPolarHBondContact O-CB 3.19Å; T657-D680 HydrophobicContact CG2-CB 4.2Å; T657-D680 PolarHBondContact N-O 2.96Å; T657-D680 PolarHBondContact O-N 3.08Å; T657-L682 HydrophobicContact CG2-CD1 4.13Å; T657-L682 HydrophobicContact CG2-CD2 3.72Å; T657-L682 HydrophobicContact CG2-CG 3.89Å
658	R	91.5	Very high	79.6	Confident	40 Å²	40	57.3 Å²	57.3	15%	0.151	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	134.9	169	-176.4	-176	-171	-167.7	7.5	109.8	V615 L616 L660 Q674 V675 C677 E678 M679	V615-R658 WeakPolarHBondContact CA-O 3.42Å; L616-R658 HydrophobicContact CB-CB 4.13Å; L616-R658 HydrophobicContact CD2-CB 4.36Å; L616-R658 PolarHBondContact N-O 3Å; L616-R658 PolarHBondContact O-N 2.98Å; R658-L660 HydrophobicContact CG-CD2 4.31Å; R658-Q674 PolarHBondContact NH1-O 3.36Å; R658-V675 PolarHBondContact NH1-O 3.35Å; R658-C677 WeakPolarHBondContact CD-O 3.47Å; R658-C677 PolarHBondContact NE-O 3.43Å; R658-C677 VanDerWaalsContact NE-O 3.09Å; R658-C677 PolarHBondContact NH1-O 3.05Å; R658-C677 PolarHBondContact NH1-SG 3.33Å; R658-E678 IonicContact NH2-OE2 3.23Å; R658-E678 PolarHBondContact NH2-OE2 3.47Å; R658-M679 HydrophobicContact CB-CB 4.47Å; R658-M679 HydrophobicContact CB-CG 4.07Å
659	R	88.7	Confident	79.8	Confident	195 Å²	195	60.3 Å²	60.3	74%	0.736	29%	0.293	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.9	128	172.7	-63.8	-179.9	177.8	176.5	-0.1	109.1	V615	V615-R659 HydrophobicContact CG2-CG 4.45Å
660	L	85.3	Confident	80.4	Confident	20 Å²	20	62.7 Å²	62.7	11%	0.105	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	121.6	179.7	-63.5	169.5	0	0	0	108.9	L605 I614 R658 A662 T667 V675	L605-L660 HydrophobicContact CD2-CD1 3.62Å; I614-L660 HydrophobicContact CB-CB 4.36Å; I614-L660 HydrophobicContact CG2-CD1 4.36Å; I614-L660 PolarHBondContact O-N 2.84Å; R658-L660 HydrophobicContact CG-CD2 4.31Å; L660-A662 PolarHBondContact O-N 2.71Å; L660-T667 HydrophobicContact CD1-CG2 3.63Å; L660-V675 HydrophobicContact CD1-CG1 4.32Å
661	E	77.3	Confident	80.3	Confident	193 Å²	193	63.9 Å²	63.9	90%	0.902	32%	0.316	S	S	*	.			trans	-79.1	-7.3	179.2	-60	-176.2	167.5	0	0	112.9
662	A	71.8	Confident	80.6	Confident	40 Å²	40	61.9 Å²	61.9	33%	0.331	31%	0.309	S	S	.	.	S	Bend	trans	-83.1	140.1	-178.8	0	0	0	0	0	112.7	L660 K666 T667	L660-A662 PolarHBondContact O-N 2.71Å; A662-K666 HydrophobicContact CB-CB 4.45Å; A662-T667 WeakPolarHBondContact CB-OG1 3.31Å; A662-T667 PolarHBondContact O-OG1 2.99Å; A662-T667 VanDerWaalsContact O-OG1 3.1Å
663	G	70.9	Confident	80.5	Confident	49 Å²	49	67.2 Å²	67.2	51%	0.505	33%	0.333	S	S	.	.			trans	-64.6	155.2	173.8	0	0	0	0	0	113.6	I665 K666 T667	G663-I665 VanDerWaalsContact C-N 3.32Å; G663-I665 PolarHBondContact O-N 3.43Å; G663-I665 VanDerWaalsContact O-N 3.12Å; G663-K666 PolarHBondContact O-N 2.99Å; G663-K666 VanDerWaalsContact O-N 3.08Å; G663-T667 PolarHBondContact O-N 3.3Å; G663-T667 VanDerWaalsContact O-N 3.14Å; G663-T667 PolarHBondContact O-OG1 3.1Å
664	F	69.1	Low	80.2	Confident	68 Å²	68	71.6 Å²	71.6	30%	0.298	35%	0.353	S	S	.	.	H	α-helix	trans	-49.9	-43.5	-169.4	176.8	-115.3	0	0	0	115.1	L590 I614 K666 T667 N668	L590-F664 HydrophobicContact CB-CD2 4.21Å; L590-F664 HydrophobicContact CB-CE2 3.71Å; L590-F664 HydrophobicContact CD1-CD2 3.77Å; L590-F664 HydrophobicContact CD1-CE2 4.15Å; L590-F664 HydrophobicContact CG-CD2 4.47Å; L590-F664 HydrophobicContact CG-CE2 4.38Å; I614-F664 VanDerWaalsContact CD1-CA 3.5Å; I614-F664 HydrophobicContact CD1-CB 4.02Å; I614-F664 HydrophobicContact CD1-CD2 4.44Å; F664-K666 PolarHBondContact O-N 3.34Å; F664-T667 PolarHBondContact O-N 3.3Å; F664-N668 HydrophobicContact CE2-CB 4.25Å; F664-N668 HydrophobicContact CZ-CB 4.37Å; F664-N668 VanDerWaalsContact O-CB 3.27Å; F664-N668 WeakPolarHBondContact O-CB 3.08Å; F664-N668 PolarHBondContact O-N 3.49Å
665	I	69.7	Low	79.9	Confident	129 Å²	129	71.6 Å²	71.6	66%	0.662	35%	0.353	S	S	*	.	H	α-helix	trans	-61.4	-45.7	-177.5	-60.1	172	0	0	0	111	G663 Q669	G663-I665 VanDerWaalsContact C-N 3.32Å; G663-I665 PolarHBondContact O-N 3.43Å; G663-I665 VanDerWaalsContact O-N 3.12Å; I665-Q669 WeakPolarHBondContact O-CG 3.46Å; I665-Q669 PolarHBondContact O-N 3.31Å
666	K	73.2	Confident	79.7	Confident	153 Å²	153	71.7 Å²	71.7	67%	0.665	35%	0.353	S	S	*	.	H	α-helix	trans	-65.8	-47	178.1	-70.8	-175	178.2	-179.2	0	110.3	A662 G663 F664 N668 Q669 L670	A662-K666 HydrophobicContact CB-CB 4.45Å; G663-K666 PolarHBondContact O-N 2.99Å; G663-K666 VanDerWaalsContact O-N 3.08Å; F664-K666 PolarHBondContact O-N 3.34Å; K666-N668 VanDerWaalsContact C-N 3.32Å; K666-N668 PolarHBondContact O-N 3.02Å; K666-Q669 PolarHBondContact O-N 3.23Å; K666-L670 PolarHBondContact O-N 2.92Å
667	T	72.3	Confident	79.5	Confident	0 Å²	0	73.6 Å²	73.6	0%	0	37%	0.366	C	S	.	.	H	α-helix	trans	-64.5	-35.4	-178	-50.2	0	0	0	0	112.6	L605 I614 L660 A662 G663 F664 Q669 L670	L605-T667 HydrophobicContact CD1-CG2 3.75Å; L605-T667 HydrophobicContact CD2-CG2 4.04Å; I614-T667 HydrophobicContact CG2-CG2 4.46Å; L660-T667 HydrophobicContact CD1-CG2 3.63Å; A662-T667 WeakPolarHBondContact CB-OG1 3.31Å; A662-T667 PolarHBondContact O-OG1 2.99Å; A662-T667 VanDerWaalsContact O-OG1 3.1Å; G663-T667 PolarHBondContact O-N 3.3Å; G663-T667 VanDerWaalsContact O-N 3.14Å; G663-T667 PolarHBondContact O-OG1 3.1Å; F664-T667 PolarHBondContact O-N 3.3Å; T667-Q669 VanDerWaalsContact C-N 3.28Å; T667-Q669 PolarHBondContact O-N 2.86Å; T667-L670 HydrophobicContact CG2-CD1 4.47Å; T667-L670 PolarHBondContact O-N 3.39Å
668	N	71.1	Confident	79.3	Confident	54 Å²	54	79.2 Å²	79.2	29%	0.289	39%	0.391	S	S	.	.	H	α-helix	trans	-69.5	-25.4	179.1	-167.8	21.8	0	0	0	112.9	K591 F664 K666	K591-N668 VanDerWaalsContact CD-OD1 3.25Å; K591-N668 WeakPolarHBondContact CD-OD1 3.43Å; K591-N668 VanDerWaalsContact CE-OD1 3.31Å; K591-N668 WeakPolarHBondContact CE-OD1 3.34Å; K591-N668 PolarHBondContact NZ-O 3.01Å; K591-N668 PolarHBondContact NZ-OD1 3.1Å; F664-N668 HydrophobicContact CE2-CB 4.25Å; F664-N668 HydrophobicContact CZ-CB 4.37Å; F664-N668 VanDerWaalsContact O-CB 3.27Å; F664-N668 WeakPolarHBondContact O-CB 3.08Å; F664-N668 PolarHBondContact O-N 3.49Å; K666-N668 VanDerWaalsContact C-N 3.32Å; K666-N668 PolarHBondContact O-N 3.02Å
669	Q	71.2	Confident	79.3	Confident	157 Å²	157	77.3 Å²	77.3	73%	0.734	38%	0.384	S	S	*	.	H	α-helix	trans	-84.4	-11.7	177	-68.9	178.5	-8.2	0	0	113.3	I665 K666 T667	I665-Q669 WeakPolarHBondContact O-CG 3.46Å; I665-Q669 PolarHBondContact O-N 3.31Å; K666-Q669 PolarHBondContact O-N 3.23Å; T667-Q669 VanDerWaalsContact C-N 3.28Å; T667-Q669 PolarHBondContact O-N 2.86Å
670	L	76.3	Confident	79.4	Confident	56 Å²	56	71.8 Å²	71.8	29%	0.293	37%	0.369	S	S	.	.	S	Bend	trans	-67.6	140	179.8	-65.8	175.5	0	0	0	111.3	K666 T667 V675	K666-L670 PolarHBondContact O-N 2.92Å; T667-L670 HydrophobicContact CG2-CD1 4.47Å; T667-L670 PolarHBondContact O-N 3.39Å; L670-V675 HydrophobicContact CB-CG2 3.64Å; L670-V675 HydrophobicContact CD1-CG2 4.21Å
671	P	76.4	Confident	79.7	Confident	60 Å²	60	71.3 Å²	71.3	39%	0.39	37%	0.366	S	S	.	.			trans	-64.6	151.9	169.5	29.6	-34.5	0	0	0	110.5	E673 Q674 V675	P671-E673 PolarHBondContact O-N 3.1Å; P671-E673 VanDerWaalsContact O-N 3.16Å; P671-Q674 VanDerWaalsContact CD-OE1 3.32Å; P671-Q674 HydrophobicContact CG-CB 4.03Å; P671-Q674 HydrophobicContact CG-CG 3.75Å; P671-Q674 PolarHBondContact O-N 2.87Å; P671-Q674 VanDerWaalsContact O-N 3.08Å; P671-V675 PolarHBondContact O-N 3.29Å
672	R	82.8	Confident	80.2	Confident	36 Å²	36	63 Å²	63	14%	0.136	33%	0.328	C	S	.	.	H	α-helix	trans	-54.3	-39	-174.5	-179.7	175.8	178.6	157.3	6.8	112	F593 P594 R601 Q674 V675 E676	F593-R672 HydrophobicContact CD1-CB 4.07Å; F593-R672 HydrophobicContact CD1-CG 3.82Å; F593-R672 HydrophobicContact CE1-CB 4.01Å; F593-R672 HydrophobicContact CE1-CG 4.19Å; F593-R672 HydrophobicContact CG-CG 4.3Å; P594-R672 PolarHBondContact O-NH1 2.9Å; R601-R672 PolarHBondContact O-NH2 3.01Å; R672-Q674 VanDerWaalsContact C-N 3.34Å; R672-Q674 PolarHBondContact O-N 3.5Å; R672-V675 PolarHBondContact O-N 2.92Å; R672-E676 HydrophobicContact CG-CG 4.17Å; R672-E676 WeakPolarHBondContact CG-OE2 3.29Å; R672-E676 IonicContact CZ-OE1 3.96Å; R672-E676 VanDerWaalsContact CZ-OE1 3.31Å; R672-E676 IonicContact CZ-OE2 3.33Å; R672-E676 VanDerWaalsContact NE-CD 3.25Å; R672-E676 IonicContact NE-OE1 2.99Å; R672-E676 PolarHBondContact NE-OE1 3.31Å; R672-E676 IonicContact NE-OE2 3.86Å; R672-E676 PolarHBondContact NE-OE2 2.77Å; R672-E676 IonicContact NH2-OE1 3.17Å; R672-E676 PolarHBondContact NH2-OE1 2.9Å; R672-E676 IonicContact NH2-OE2 3.32Å; R672-E676 WeakPolarHBondContact O-CB 3.49Å; R672-E676 WeakPolarHBondContact O-CG 3.2Å; R672-E676 PolarHBondContact O-N 3.28Å
673	E	82.6	Confident	80.9	Confident	126 Å²	126	61.1 Å²	61.1	59%	0.589	31%	0.312	S	S	*	.	H	α-helix	trans	-66.4	-32.7	-177.7	-58.7	75.8	-163.5	0	0	113	P671	P671-E673 PolarHBondContact O-N 3.1Å; P671-E673 VanDerWaalsContact O-N 3.16Å
674	Q	83.5	Confident	81.7	Confident	111 Å²	111	58.8 Å²	58.8	52%	0.519	29%	0.288	S	S	.	.	H	α-helix	trans	-79.3	-25.3	177.8	-73.1	-179	-4.6	0	0	112.4	R658 P671 R672 C677	R658-Q674 PolarHBondContact NH1-O 3.36Å; P671-Q674 VanDerWaalsContact CD-OE1 3.32Å; P671-Q674 HydrophobicContact CG-CB 4.03Å; P671-Q674 HydrophobicContact CG-CG 3.75Å; P671-Q674 PolarHBondContact O-N 2.87Å; P671-Q674 VanDerWaalsContact O-N 3.08Å; R672-Q674 VanDerWaalsContact C-N 3.34Å; R672-Q674 PolarHBondContact O-N 3.5Å; Q674-C677 PolarHBondContact O-SG 2.78Å
675	V	85.1	Confident	82.6	Confident	0 Å²	0	55.6 Å²	55.6	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-77.7	-46.7	174.6	-179.7	0	0	0	0	109.9	F593 L605 L616 R658 L660 L670 P671 R672 C677	F593-V675 HydrophobicContact CE2-CB 4.34Å; F593-V675 HydrophobicContact CE2-CG1 3.91Å; F593-V675 HydrophobicContact CZ-CB 4.33Å; F593-V675 HydrophobicContact CZ-CG1 4.36Å; F593-V675 HydrophobicContact CZ-CG2 4.17Å; L605-V675 HydrophobicContact CD2-CG1 3.88Å; L605-V675 HydrophobicContact CG-CG1 4.47Å; L616-V675 HydrophobicContact CD1-CG1 3.54Å; L616-V675 HydrophobicContact CD2-CG1 3.9Å; L616-V675 VanDerWaalsContact CD2-O 3.29Å; L616-V675 WeakPolarHBondContact CD2-O 3.24Å; L616-V675 HydrophobicContact CG-CG1 4.28Å; R658-V675 PolarHBondContact NH1-O 3.35Å; L660-V675 HydrophobicContact CD1-CG1 4.32Å; L670-V675 HydrophobicContact CB-CG2 3.64Å; L670-V675 HydrophobicContact CD1-CG2 4.21Å; P671-V675 PolarHBondContact O-N 3.29Å; R672-V675 PolarHBondContact O-N 2.92Å; V675-C677 VanDerWaalsContact C-N 3.28Å; V675-C677 PolarHBondContact O-N 2.98Å; V675-C677 VanDerWaalsContact O-N 3.13Å
676	E	89	Confident	83.3	Confident	1 Å²	1	49.5 Å²	49.5	1%	0.005	24%	0.243	C	C	.	.	S	Bend	trans	-84.7	44.1	-177.9	-60.8	179.2	156.9	0	0	113.7	R601 S603 L628 R672	R601-E676 IonicContact CZ-OE2 3.25Å; R601-E676 VanDerWaalsContact CZ-OE2 3.26Å; R601-E676 IonicContact NE-OE1 3.83Å; R601-E676 IonicContact NE-OE2 2.76Å; R601-E676 PolarHBondContact NE-OE2 2.83Å; R601-E676 IonicContact NH2-OE2 3.26Å; R601-E676 PolarHBondContact NH2-OE2 3.34Å; S603-E676 WeakPolarHBondContact OG-CG 3.46Å; S603-E676 PolarHBondContact OG-OE1 2.9Å; L628-E676 HydrophobicContact CD1-CB 4.48Å; L628-E676 WeakPolarHBondContact CD2-O 3.47Å; R672-E676 HydrophobicContact CG-CG 4.17Å; R672-E676 WeakPolarHBondContact CG-OE2 3.29Å; R672-E676 IonicContact CZ-OE1 3.96Å; R672-E676 VanDerWaalsContact CZ-OE1 3.31Å; R672-E676 IonicContact CZ-OE2 3.33Å; R672-E676 VanDerWaalsContact NE-CD 3.25Å; R672-E676 IonicContact NE-OE1 2.99Å; R672-E676 PolarHBondContact NE-OE1 3.31Å; R672-E676 IonicContact NE-OE2 3.86Å; R672-E676 PolarHBondContact NE-OE2 2.77Å; R672-E676 IonicContact NH2-OE1 3.17Å; R672-E676 PolarHBondContact NH2-OE1 2.9Å; R672-E676 IonicContact NH2-OE2 3.32Å; R672-E676 WeakPolarHBondContact O-CB 3.49Å; R672-E676 WeakPolarHBondContact O-CG 3.2Å; R672-E676 PolarHBondContact O-N 3.28Å
677	C	88.6	Confident	83.8	Confident	41 Å²	41	42.2 Å²	42.2	28%	0.277	21%	0.211	S	C	.	.	S	Bend	trans	-126.7	159.8	173	68.8	0	0	0	0	111.4	R658 Q674 V675 M679	R658-C677 WeakPolarHBondContact CD-O 3.47Å; R658-C677 PolarHBondContact NE-O 3.43Å; R658-C677 VanDerWaalsContact NE-O 3.09Å; R658-C677 PolarHBondContact NH1-O 3.05Å; R658-C677 PolarHBondContact NH1-SG 3.33Å; Q674-C677 PolarHBondContact O-SG 2.78Å; V675-C677 VanDerWaalsContact C-N 3.28Å; V675-C677 PolarHBondContact O-N 2.98Å; V675-C677 VanDerWaalsContact O-N 3.13Å; C677-M679 PolarHBondContact O-N 2.87Å
678	E	88.7	Confident	84.1	Confident	134 Å²	134	44.3 Å²	44.3	63%	0.626	22%	0.223	S	C	*	.	S	Bend	trans	50.6	49.3	174.9	-59.5	174.4	165.3	0	0	113.6	L628 V630 R658	L628-E678 PolarHBondContact O-N 3.23Å; V630-E678 HydrophobicContact CG2-CB 4.06Å; R658-E678 IonicContact NH2-OE2 3.23Å; R658-E678 PolarHBondContact NH2-OE2 3.47Å
679	M	92.3	Very high	84.5	Confident	0 Å²	0	42.1 Å²	42.1	0%	0	21%	0.211	C	C	.	.	B	Isolated β-bridge	trans	-87.6	153.8	179.3	-59	-174	-79.5	0	0	112.2	L616 C618 L628 C629 V630 A656 T657 R658 C677	L616-M679 HydrophobicContact CD2-CG 4.36Å; L616-M679 HydrophobicContact CD2-SD 3.81Å; C618-M679 HydrophobicContact CB-CE 4.16Å; C618-M679 HydrophobicContact CB-SD 3.56Å; C618-M679 VanDerWaalsContact CB-SD 3.56Å; L628-M679 HydrophobicContact CB-CE 3.34Å; L628-M679 HydrophobicContact CD1-CE 3.85Å; L628-M679 HydrophobicContact CG-CE 4.25Å; L628-M679 PolarHBondContact O-N 3.01Å; C629-M679 CarbonylContact C-O 3.53Å; C629-M679 WeakPolarHBondContact CA-O 3.37Å; C629-M679 WeakPolarHBondContact CB-O 3.3Å; V630-M679 PolarHBondContact N-O 3.38Å; A656-M679 HydrophobicContact CB-CB 3.94Å; A656-M679 HydrophobicContact CB-SD 4.25Å; T657-M679 CarbonylContact O-C 3.49Å; T657-M679 WeakPolarHBondContact O-CA 3.16Å; T657-M679 WeakPolarHBondContact O-CB 3.19Å; R658-M679 HydrophobicContact CB-CB 4.47Å; R658-M679 HydrophobicContact CB-CG 4.07Å; C677-M679 PolarHBondContact O-N 2.87Å
680	D	90.6	Very high	85.1	Confident	80 Å²	80	41.1 Å²	41.1	43%	0.428	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	125.2	168.3	-64.3	-44.6	0	0	0	110.1	A656 T657 L682	A656-D680 CarbonylContact C-O 3.52Å; A656-D680 WeakPolarHBondContact CA-O 3.05Å; A656-D680 WeakPolarHBondContact CB-O 3.46Å; T657-D680 HydrophobicContact CG2-CB 4.2Å; T657-D680 PolarHBondContact N-O 2.96Å; T657-D680 PolarHBondContact O-N 3.08Å; D680-L682 PolarHBondContact O-N 3.27Å
681	F	90.6	Very high	85.7	Confident	10 Å²	10	39.3 Å²	39.3	4%	0.044	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	127.9	175.6	-178	-102.8	0	0	0	111.6	V486 C629 S633 L634 P635 Y638 A654 G683 L684	V486-F681 HydrophobicContact CG2-CD1 3.56Å; V486-F681 HydrophobicContact CG2-CE1 3.87Å; C629-F681 HydrophobicContact CB-CB 4.37Å; S633-F681 PolarHBondContact OG-N 2.78Å; L634-F681 HydrophobicContact CD2-CB 3.85Å; L634-F681 HydrophobicContact CD2-CD1 4.19Å; L634-F681 HydrophobicContact CD2-CD2 3.86Å; L634-F681 HydrophobicContact CD2-CG 3.69Å; L634-F681 HydrophobicContact CG-CB 4.43Å; P635-F681 HydrophobicContact CG-CE1 4.5Å; Y638-F681 HydrophobicContact CD2-CE1 4.13Å; Y638-F681 HydrophobicContact CD2-CE2 4.39Å; Y638-F681 AromaticContact CD2-CZ 3.94Å; Y638-F681 HydrophobicContact CD2-CZ 3.94Å; Y638-F681 HydrophobicContact CE2-CD2 4.43Å; Y638-F681 HydrophobicContact CE2-CE1 4.21Å; Y638-F681 AromaticContact CE2-CE2 3.68Å; Y638-F681 HydrophobicContact CE2-CE2 3.68Å; Y638-F681 AromaticContact CE2-CZ 3.56Å; Y638-F681 HydrophobicContact CE2-CZ 3.56Å; A654-F681 HydrophobicContact CB-CE2 3.9Å; F681-G683 VanDerWaalsContact CZ-C 3.46Å; F681-G683 WeakPolarHBondContact CZ-O 3.15Å; F681-L684 HydrophobicContact CE2-CD2 4.16Å; F681-L684 HydrophobicContact CZ-CD2 3.76Å; F681-L684 HydrophobicContact CZ-CG 3.98Å
682	L	88	Confident	86.4	Confident	18 Å²	18	37.4 Å²	37.4	9%	0.094	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	-43.2	-178.7	-72.2	175.5	0	0	0	112.9	V486 I525 C528 Y617 L655 T657 D680	V486-L682 PolarHBondContact N-O 3.46Å; I525-L682 HydrophobicContact CG1-CB 4.16Å; C528-L682 HydrophobicContact CB-CD1 4.05Å; Y617-L682 HydrophobicContact CD1-CD1 4.36Å; L655-L682 HydrophobicContact CB-CB 4.1Å; L655-L682 HydrophobicContact CB-CD1 4.48Å; L655-L682 PolarHBondContact O-N 3.39Å; T657-L682 HydrophobicContact CG2-CD1 4.13Å; T657-L682 HydrophobicContact CG2-CD2 3.72Å; T657-L682 HydrophobicContact CG2-CG 3.89Å; D680-L682 PolarHBondContact O-N 3.27Å
683	G	87.4	Confident	86.9	Confident	0 Å²	0	40.5 Å²	40.5	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	163.9	-176.8	-173.8	0	0	0	0	0	114.9	V484 L655 F681	V484-G683 CarbonylContact O-C 3.51Å; V484-G683 WeakPolarHBondContact O-CA 3.36Å; L655-G683 PolarHBondContact N-O 3Å; L655-G683 PolarHBondContact O-N 3.46Å; F681-G683 VanDerWaalsContact CZ-C 3.46Å; F681-G683 WeakPolarHBondContact CZ-O 3.15Å
684	L	87.8	Confident	87.4	Confident	1 Å²	1	37.2 Å²	37.2	1%	0.005	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	135.2	177.5	-61	176.2	0	0	0	111	A483 V484 Y638 T641 L642 V652 L653 A654 F681	A483-L684 CarbonylContact C-O 3.59Å; A483-L684 WeakPolarHBondContact CA-O 3.44Å; V484-L684 HydrophobicContact CB-CB 4.39Å; V484-L684 PolarHBondContact N-O 3Å; V484-L684 PolarHBondContact O-N 2.67Å; Y638-L684 HydrophobicContact CE2-CD2 4.1Å; T641-L684 HydrophobicContact CG2-CD1 4.19Å; L642-L684 HydrophobicContact CB-CD1 4.46Å; V652-L684 HydrophobicContact CG1-CB 3.99Å; V652-L684 HydrophobicContact CG1-CD1 4.18Å; V652-L684 HydrophobicContact CG1-CD2 3.9Å; V652-L684 HydrophobicContact CG1-CG 4.24Å; L653-L684 CarbonylContact O-C 3.6Å; L653-L684 VanDerWaalsContact O-CA 3.28Å; L653-L684 WeakPolarHBondContact O-CA 3.28Å; A654-L684 HydrophobicContact CB-CD2 4.1Å; F681-L684 HydrophobicContact CE2-CD2 4.16Å; F681-L684 HydrophobicContact CZ-CD2 3.76Å; F681-L684 HydrophobicContact CZ-CG 3.98Å
685	L	87.8	Confident	88	Confident	0 Å²	0	31.9 Å²	31.9	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	134.1	166.2	-56.8	174.6	0	0	0	109.3	F480 A483 I525 M529 M551 V652 L653 L655	F480-L685 HydrophobicContact CE2-CB 4.42Å; F480-L685 HydrophobicContact CE2-CD2 3.92Å; F480-L685 HydrophobicContact CZ-CD2 4.3Å; A483-L685 HydrophobicContact CB-CD2 3.67Å; I525-L685 HydrophobicContact CG2-CD2 4.26Å; M529-L685 HydrophobicContact CG-CD1 4.17Å; M529-L685 HydrophobicContact CG-CD2 4.22Å; M529-L685 HydrophobicContact SD-CD2 3.68Å; M551-L685 HydrophobicContact CE-CD1 3.99Å; M551-L685 HydrophobicContact CG-CD1 3.96Å; M551-L685 HydrophobicContact SD-CD1 3.69Å; V652-L685 CarbonylContact C-O 3.48Å; V652-L685 VanDerWaalsContact CA-O 3.28Å; V652-L685 WeakPolarHBondContact CA-O 3.34Å; L653-L685 HydrophobicContact CB-CB 4.27Å; L653-L685 HydrophobicContact CD1-CD1 4.38Å; L653-L685 PolarHBondContact N-O 3.2Å; L653-L685 PolarHBondContact O-N 3.08Å; L655-L685 HydrophobicContact CD1-CD1 3.91Å; L655-L685 HydrophobicContact CD1-CD2 3.9Å; L655-L685 HydrophobicContact CD1-CG 3.78Å; L655-L685 HydrophobicContact CD2-CD1 3.88Å; L655-L685 HydrophobicContact CD2-CG 4.32Å; L655-L685 HydrophobicContact CG-CD1 4.13Å; L655-L685 HydrophobicContact CG-CG 4.04Å
686	V	84.8	Confident	88.4	Confident	2 Å²	2	34.1 Å²	34.1	1%	0.012	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	124.6	-178.1	-171.3	0	0	0	0	108.9	L481 G482 V484 F645 Y650	L481-V686 HydrophobicContact CB-CG1 4.49Å; L481-V686 WeakPolarHBondContact CB-O 3.43Å; L481-V686 HydrophobicContact CD1-CG1 4.08Å; L481-V686 PolarHBondContact N-O 3.49Å; G482-V686 PolarHBondContact N-O 2.93Å; G482-V686 PolarHBondContact O-N 2.84Å; V484-V686 HydrophobicContact CG2-CG2 4.36Å; F645-V686 HydrophobicContact CD1-CG1 3.82Å; F645-V686 HydrophobicContact CD1-CG2 3.9Å; F645-V686 HydrophobicContact CD2-CG2 4.11Å; F645-V686 HydrophobicContact CE1-CG1 4.27Å; F645-V686 HydrophobicContact CE1-CG2 3.95Å; F645-V686 HydrophobicContact CE2-CG2 4.15Å; F645-V686 HydrophobicContact CG-CG1 4.35Å; F645-V686 HydrophobicContact CG-CG2 4Å; F645-V686 HydrophobicContact CZ-CG2 4.08Å; Y650-V686 HydrophobicContact CD1-CG1 4.36Å; Y650-V686 HydrophobicContact CD2-CG1 3.96Å; Y650-V686 HydrophobicContact CG-CG1 3.7Å
687	M	82.1	Confident	88.7	Confident	0 Å²	0	37.8 Å²	37.8	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	161.8	179.4	-58.3	170.5	-72.4	0	0	111.1	L478 N479 F480 L547 Y650 R651 L653	L478-M687 HydrophobicContact CD2-CB 4.18Å; L478-M687 HydrophobicContact CD2-SD 4.29Å; N479-M687 CarbonylContact O-C 3.49Å; N479-M687 WeakPolarHBondContact O-CA 3.39Å; N479-M687 WeakPolarHBondContact O-CB 3.19Å; F480-M687 HydrophobicContact CD2-CG 4.36Å; L547-M687 HydrophobicContact CD1-CE 4.17Å; L547-M687 HydrophobicContact CG-CE 4.3Å; L547-M687 HydrophobicContact CG-SD 4.37Å; Y650-M687 CarbonylContact C-O 3.57Å; Y650-M687 WeakPolarHBondContact CA-O 3.22Å; Y650-M687 WeakPolarHBondContact CB-O 3.45Å; R651-M687 HydrophobicContact CB-CB 4.33Å; R651-M687 HydrophobicContact CB-CE 4.35Å; R651-M687 HydrophobicContact CG-CE 3.96Å; R651-M687 PolarHBondContact N-O 2.89Å; R651-M687 PolarHBondContact O-N 3.44Å; L653-M687 HydrophobicContact CD1-CE 3.44Å; L653-M687 VanDerWaalsContact CD1-CE 3.44Å; L653-M687 HydrophobicContact CG-CE 3.73Å
688	D	79.9	Confident	89.1	Confident	44 Å²	44	36.1 Å²	36.1	24%	0.235	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	145.9	178.8	-169.7	9.7	0	0	0	112.2	N479 L481 Y650	N479-D688 PolarHBondContact N-O 3.36Å; N479-D688 PolarHBondContact O-N 3.08Å; L481-D688 HydrophobicContact CD1-CB 3.86Å; L481-D688 HydrophobicContact CD2-CB 4.13Å; L481-D688 HydrophobicContact CG-CB 4.12Å; Y650-D688 HydrophobicContact CD1-CB 4.01Å; Y650-D688 HydrophobicContact CE1-CB 4.2Å
689	N	78.7	Confident	89.4	Confident	8 Å²	8	29.9 Å²	29.9	4%	0.043	16%	0.155	C	C	.	.			trans	-104	95.3	171.6	-78.4	43.1	0	0	0	108.5	K469 T474 L478 L691	K469-N689 WeakPolarHBondContact CE-ND2 3.48Å; K469-N689 PolarHBondContact NZ-ND2 3.26Å; T474-N689 HydrophobicContact CG2-CB 4.04Å; L478-N689 WeakPolarHBondContact CD2-OD1 3.42Å; N689-L691 PolarHBondContact O-N 3.22Å
690	R	83.5	Confident	89.6	Confident	135 Å²	135	32.6 Å²	32.6	51%	0.509	17%	0.169	S	C	.	.	P	Polyproline II helix	trans	-64.4	132.4	-178.3	-176.8	176.8	-69.3	170.9	0.8	111.4	T474 E475	T474-R690 CarbonylContact C-O 3.51Å; T474-R690 VanDerWaalsContact CA-O 3.24Å; T474-R690 WeakPolarHBondContact CA-O 3.29Å; T474-R690 VanDerWaalsContact CB-O 3.31Å; T474-R690 WeakPolarHBondContact CB-O 3.14Å; E475-R690 PolarHBondContact N-O 2.97Å
691	L	88.4	Confident	89.7	Confident	19 Å²	19	30.3 Å²	30.3	10%	0.099	16%	0.161	C	C	.	.	B	Isolated β-bridge	trans	-66.5	142.1	169.2	-76.9	-177.9	0	0	0	111.7	T474 N689 T695 V723 E726 C727	T474-L691 HydrophobicContact CG2-CD2 4.12Å; N689-L691 PolarHBondContact O-N 3.22Å; L691-T695 HydrophobicContact CD2-CG2 4.13Å; L691-V723 HydrophobicContact CD2-CG1 3.57Å; L691-V723 HydrophobicContact CG-CG1 4.47Å; L691-E726 HydrophobicContact CD1-CB 3.73Å; L691-E726 VanDerWaalsContact CD1-CD 3.47Å; L691-E726 HydrophobicContact CD1-CG 3.5Å; L691-E726 HydrophobicContact CG-CG 4.43Å; L691-C727 HydrophobicContact CD1-CB 3.95Å; L691-C727 HydrophobicContact CD2-CB 4.22Å
692	K	92.1	Very high	90	Very high	20 Å²	20	29.8 Å²	29.8	9%	0.087	16%	0.159	C	C	.	.	P	Polyproline II helix	trans	-65	139.6	166.4	-64.2	179.4	175.6	173.9	0	109.6	G471 L473 T474 E475 E694 T695 P880	G471-K692 PolarHBondContact O-NZ 2.81Å; L473-K692 PolarHBondContact O-N 2.97Å; T474-K692 WeakPolarHBondContact O-CE 3.25Å; E475-K692 HydrophobicContact CG-CG 4.24Å; K692-E694 PolarHBondContact O-N 2.74Å; K692-E694 VanDerWaalsContact O-N 3.13Å; K692-T695 VanDerWaalsContact O-CB 3.3Å; K692-T695 WeakPolarHBondContact O-CB 3.47Å; K692-T695 PolarHBondContact O-N 3.38Å; K692-T695 PolarHBondContact O-OG1 3.41Å; K692-P880 WeakPolarHBondContact CE-O 3.2Å; K692-P880 PolarHBondContact NZ-O 3.04Å
693	P	92.6	Very high	90.2	Very high	101 Å²	101	33.5 Å²	33.5	66%	0.656	17%	0.174	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-27	-175	22.3	-31.5	0	0	0	113.2	P697	P693-P697 VanDerWaalsContact O-CD 3.29Å; P693-P697 WeakPolarHBondContact O-CD 3.5Å
694	E	94.3	Very high	90.4	Very high	56 Å²	56	41.5 Å²	41.5	26%	0.262	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81	-16.7	179.4	-51.4	90.8	153	0	0	113.4	K692 P697 V698 N881 E883	K692-E694 PolarHBondContact O-N 2.74Å; K692-E694 VanDerWaalsContact O-N 3.13Å; E694-P697 WeakPolarHBondContact O-CD 3.29Å; E694-V698 WeakPolarHBondContact O-CB 3.42Å; E694-V698 VanDerWaalsContact O-CG2 3.25Å; E694-V698 WeakPolarHBondContact O-CG2 3.34Å; E694-V698 PolarHBondContact O-N 3.03Å; E694-V698 VanDerWaalsContact O-N 3.16Å; E694-N881 PolarHBondContact OE1-ND2 2.81Å; E694-E883 HydrophobicContact CB-CG 3.92Å; E694-E883 HydrophobicContact CG-CG 4.09Å
695	T	95.1	Very high	90.6	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-61.4	-53.6	-173.4	-67.7	0	0	0	0	111.9	L473 L691 K692 V698 I699 C727 I882	L473-T695 HydrophobicContact CB-CG2 4.1Å; L473-T695 HydrophobicContact CD2-CG2 3.49Å; L473-T695 VanDerWaalsContact CD2-CG2 3.49Å; L473-T695 HydrophobicContact CG-CG2 4.37Å; L473-T695 PolarHBondContact O-OG1 3.24Å; L691-T695 HydrophobicContact CD2-CG2 4.13Å; K692-T695 VanDerWaalsContact O-CB 3.3Å; K692-T695 WeakPolarHBondContact O-CB 3.47Å; K692-T695 PolarHBondContact O-N 3.38Å; K692-T695 PolarHBondContact O-OG1 3.41Å; T695-V698 PolarHBondContact O-N 3.12Å; T695-I699 HydrophobicContact CG2-CG1 4.44Å; T695-I699 WeakPolarHBondContact O-CG1 3.47Å; T695-I699 PolarHBondContact O-N 2.94Å; T695-C727 HydrophobicContact CG2-CB 3.76Å; T695-I882 HydrophobicContact CG2-CD1 4.2Å
696	Q	94.1	Very high	90.7	Very high	46 Å²	46	45.2 Å²	45.2	22%	0.215	23%	0.229	C	C	.	.	H	α-helix	trans	-64.2	-44.1	-176.7	177.9	59.6	90.3	0	0	113.2	V698 N700 E726 C727 S728	Q696-V698 VanDerWaalsContact C-N 3.33Å; Q696-V698 PolarHBondContact O-N 3.23Å; Q696-N700 PolarHBondContact NE2-ND2 2.92Å; Q696-N700 PolarHBondContact NE2-OD1 2.89Å; Q696-N700 WeakPolarHBondContact O-CB 3.47Å; Q696-N700 PolarHBondContact O-N 3.24Å; Q696-N700 VanDerWaalsContact O-N 3.13Å; Q696-N700 PolarHBondContact O-ND2 3.46Å; Q696-E726 PolarHBondContact OE1-O 3.34Å; Q696-C727 PolarHBondContact NE2-O 2.81Å; Q696-C727 VanDerWaalsContact NE2-O 3.12Å; Q696-C727 PolarHBondContact OE1-O 3.26Å; Q696-S728 VanDerWaalsContact CD-OG 3.3Å; Q696-S728 VanDerWaalsContact NE2-CB 3.34Å; Q696-S728 PolarHBondContact NE2-OG 3.46Å; Q696-S728 PolarHBondContact OE1-OG 3.33Å
697	P	95.8	Very high	91.2	Very high	79 Å²	79	45.4 Å²	45.4	51%	0.513	23%	0.23	S	C	.	.	H	α-helix	trans	-56.2	-42.4	171.3	-27.9	34.5	0	0	0	114	P693 E694 N700 A701	P693-P697 VanDerWaalsContact O-CD 3.29Å; P693-P697 WeakPolarHBondContact O-CD 3.5Å; E694-P697 WeakPolarHBondContact O-CD 3.29Å; P697-N700 PolarHBondContact O-N 2.98Å; P697-A701 PolarHBondContact O-N 2.76Å
698	V	96.3	Very high	91.8	Very high	6 Å²	6	46.7 Å²	46.7	4%	0.036	24%	0.235	C	C	.	.	H	α-helix	trans	-67.8	-46.5	-178	169.5	0	0	0	0	111.6	E694 T695 Q696 N700 A701 L702 I882 E883 I886	E694-V698 WeakPolarHBondContact O-CB 3.42Å; E694-V698 VanDerWaalsContact O-CG2 3.25Å; E694-V698 WeakPolarHBondContact O-CG2 3.34Å; E694-V698 PolarHBondContact O-N 3.03Å; E694-V698 VanDerWaalsContact O-N 3.16Å; T695-V698 PolarHBondContact O-N 3.12Å; Q696-V698 VanDerWaalsContact C-N 3.33Å; Q696-V698 PolarHBondContact O-N 3.23Å; V698-N700 VanDerWaalsContact C-N 3.27Å; V698-N700 PolarHBondContact O-N 2.74Å; V698-A701 WeakPolarHBondContact O-CB 3.34Å; V698-A701 PolarHBondContact O-N 3.1Å; V698-A701 VanDerWaalsContact O-N 3.13Å; V698-L702 HydrophobicContact CG1-CD1 4.31Å; V698-L702 WeakPolarHBondContact O-CG 3.49Å; V698-L702 PolarHBondContact O-N 2.99Å; V698-I882 HydrophobicContact CB-CD1 3.77Å; V698-I882 HydrophobicContact CB-CG1 3.94Å; V698-I882 HydrophobicContact CG1-CB 4.49Å; V698-I882 HydrophobicContact CG1-CD1 3.57Å; V698-I882 HydrophobicContact CG1-CG1 3.85Å; V698-I882 HydrophobicContact CG2-CG1 4.2Å; V698-E883 HydrophobicContact CG2-CG 4.31Å; V698-I886 HydrophobicContact CB-CD1 4.23Å; V698-I886 HydrophobicContact CG1-CD1 4.03Å; V698-I886 HydrophobicContact CG1-CG1 4.05Å; V698-I886 HydrophobicContact CG2-CD1 3.97Å
699	I	96.3	Very high	92.6	Very high	2 Å²	2	45.1 Å²	45.1	1%	0.01	23%	0.227	C	C	.	.	H	α-helix	trans	-60	-39.8	177.1	-62	-60.6	0	0	0	111.1	F467 T695 A701 L702 K703 C727 I729 I882	F467-I699 HydrophobicContact CD2-CD1 4.11Å; F467-I699 HydrophobicContact CE2-CD1 3.62Å; F467-I699 HydrophobicContact CZ-CD1 3.96Å; T695-I699 HydrophobicContact CG2-CG1 4.44Å; T695-I699 WeakPolarHBondContact O-CG1 3.47Å; T695-I699 PolarHBondContact O-N 2.94Å; I699-A701 PolarHBondContact O-N 2.87Å; I699-L702 PolarHBondContact O-N 2.96Å; I699-K703 PolarHBondContact O-N 3.45Å; I699-C727 VanDerWaalsContact CB-O 3.31Å; I699-C727 WeakPolarHBondContact CB-O 3.33Å; I699-C727 HydrophobicContact CG1-CB 4.48Å; I699-C727 WeakPolarHBondContact CG2-O 3.29Å; I699-I729 HydrophobicContact CD1-CD1 4.16Å; I699-I729 HydrophobicContact CD1-CG1 3.99Å; I699-I729 HydrophobicContact CG1-CG1 4.23Å; I699-I729 HydrophobicContact CG2-CG1 3.98Å; I699-I882 HydrophobicContact CD1-CD1 4.21Å; I699-I882 HydrophobicContact CG1-CD1 4.41Å
700	N	94.8	Very high	93.4	Very high	58 Å²	58	44.7 Å²	44.7	31%	0.31	23%	0.225	S	C	.	.	H	α-helix	trans	-64.9	-38.4	176	-76.1	-26.1	0	0	0	112.9	Q696 P697 V698 K703 K704	Q696-N700 PolarHBondContact NE2-ND2 2.92Å; Q696-N700 PolarHBondContact NE2-OD1 2.89Å; Q696-N700 WeakPolarHBondContact O-CB 3.47Å; Q696-N700 PolarHBondContact O-N 3.24Å; Q696-N700 VanDerWaalsContact O-N 3.13Å; Q696-N700 PolarHBondContact O-ND2 3.46Å; P697-N700 PolarHBondContact O-N 2.98Å; V698-N700 VanDerWaalsContact C-N 3.27Å; V698-N700 PolarHBondContact O-N 2.74Å; N700-K703 PolarHBondContact O-N 2.68Å; N700-K704 WeakPolarHBondContact O-CG 3.44Å; N700-K704 PolarHBondContact O-N 3.36Å
701	A	94.4	Very high	94	Very high	31 Å²	31	38.3 Å²	38.3	26%	0.256	20%	0.201	S	C	.	.	H	α-helix	trans	-65.1	-39.7	175.1	0	0	0	0	0	111.8	P697 V698 I699 K704 A705 I886	P697-A701 PolarHBondContact O-N 2.76Å; V698-A701 WeakPolarHBondContact O-CB 3.34Å; V698-A701 PolarHBondContact O-N 3.1Å; V698-A701 VanDerWaalsContact O-N 3.13Å; I699-A701 PolarHBondContact O-N 2.87Å; A701-K704 PolarHBondContact O-N 3.26Å; A701-A705 WeakPolarHBondContact O-CB 3.33Å; A701-A705 PolarHBondContact O-N 3.02Å; A701-I886 HydrophobicContact CB-CD1 3.62Å
702	L	95.5	Very high	94.3	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-64.2	-44	174.1	-66.1	175	0	0	0	111.8	V465 F467 V698 I699 K704 A705 N706 I707 V885 I889 L956	V465-L702 HydrophobicContact CG2-CD1 4.32Å; F467-L702 HydrophobicContact CE2-CD1 4.03Å; F467-L702 HydrophobicContact CZ-CD1 3.73Å; V698-L702 HydrophobicContact CG1-CD1 4.31Å; V698-L702 WeakPolarHBondContact O-CG 3.49Å; V698-L702 PolarHBondContact O-N 2.99Å; I699-L702 PolarHBondContact O-N 2.96Å; L702-K704 PolarHBondContact O-N 3.35Å; L702-A705 CarbonylContact O-C 3.46Å; L702-A705 WeakPolarHBondContact O-CA 3.14Å; L702-A705 PolarHBondContact O-N 2.76Å; L702-N706 PolarHBondContact O-N 3.08Å; L702-I707 HydrophobicContact CB-CB 4.25Å; L702-I707 HydrophobicContact CD2-CB 4.28Å; L702-I707 HydrophobicContact CD2-CD1 4.01Å; L702-I707 HydrophobicContact CD2-CG2 4.28Å; L702-I707 PolarHBondContact O-N 2.85Å; L702-V885 HydrophobicContact CD1-CG1 4.33Å; L702-V885 HydrophobicContact CD2-CG1 4.39Å; L702-I889 HydrophobicContact CD2-CD1 3.8Å; L702-L956 HydrophobicContact CD2-CD2 4.33Å
703	K	92.3	Very high	94.2	Very high	95 Å²	95	36.7 Å²	36.7	41%	0.413	19%	0.194	S	C	.	.	H	α-helix	trans	-60.5	-44.8	176	-169	172.7	-178	175.2	0	111.6	I699 N700 A705 N706 D731	I699-K703 PolarHBondContact O-N 3.45Å; N700-K703 PolarHBondContact O-N 2.68Å; K703-A705 PolarHBondContact O-N 2.84Å; K703-N706 PolarHBondContact O-N 3.04Å; K703-D731 IonicContact NZ-OD2 2.79Å; K703-D731 PolarHBondContact NZ-OD2 3.47Å
704	K	92.1	Very high	93.8	Very high	168 Å²	168	34.1 Å²	34.1	73%	0.73	19%	0.186	S	C	*	.	H	α-helix	trans	-60.7	-31.6	173.4	-74	175.8	-176.9	179.3	0	112.7	N700 A701 L702 N706	N700-K704 WeakPolarHBondContact O-CG 3.44Å; N700-K704 PolarHBondContact O-N 3.36Å; A701-K704 PolarHBondContact O-N 3.26Å; L702-K704 PolarHBondContact O-N 3.35Å; K704-N706 VanDerWaalsContact C-N 3.28Å; K704-N706 PolarHBondContact O-N 3.29Å
705	A	91.8	Very high	93.1	Very high	1 Å²	1	32.7 Å²	32.7	1%	0.008	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.2	9.4	176.9	0	0	0	0	0	114.1	A701 L702 K703 I707 L956	A701-A705 WeakPolarHBondContact O-CB 3.33Å; A701-A705 PolarHBondContact O-N 3.02Å; L702-A705 CarbonylContact O-C 3.46Å; L702-A705 WeakPolarHBondContact O-CA 3.14Å; L702-A705 PolarHBondContact O-N 2.76Å; K703-A705 PolarHBondContact O-N 2.84Å; A705-I707 HydrophobicContact CB-CD1 4.22Å; A705-I707 HydrophobicContact CB-CG1 4.14Å; A705-I707 PolarHBondContact O-N 3.35Å; A705-L956 HydrophobicContact CB-CB 4.19Å; A705-L956 HydrophobicContact CB-CD2 3.48Å; A705-L956 VanDerWaalsContact CB-CD2 3.48Å; A705-L956 HydrophobicContact CB-CG 3.61Å
706	N	90.7	Very high	92.2	Very high	78 Å²	78	35.1 Å²	35.1	42%	0.417	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.5	33.7	-175.4	-62	-36.1	0	0	0	114	L702 K703 K704 Y785	L702-N706 PolarHBondContact O-N 3.08Å; K703-N706 PolarHBondContact O-N 3.04Å; K704-N706 VanDerWaalsContact C-N 3.28Å; K704-N706 PolarHBondContact O-N 3.29Å; N706-Y785 WeakPolarHBondContact ND2-CE1 3.49Å; N706-Y785 PolarHBondContact ND2-OH 3.08Å
707	I	94.5	Very high	91.8	Very high	6 Å²	6	34.3 Å²	34.3	3%	0.031	19%	0.19	C	C	.	.	P	Polyproline II helix	trans	-100.8	123.6	175.2	-56.3	-177.6	0	0	0	107.7	I462 V465 L702 A705 I889 L956	I462-I707 HydrophobicContact CG2-CG2 4.31Å; V465-I707 HydrophobicContact CG2-CG2 3.76Å; L702-I707 HydrophobicContact CB-CB 4.25Å; L702-I707 HydrophobicContact CD2-CB 4.28Å; L702-I707 HydrophobicContact CD2-CD1 4.01Å; L702-I707 HydrophobicContact CD2-CG2 4.28Å; L702-I707 PolarHBondContact O-N 2.85Å; A705-I707 HydrophobicContact CB-CD1 4.22Å; A705-I707 HydrophobicContact CB-CG1 4.14Å; A705-I707 PolarHBondContact O-N 3.35Å; I707-I889 HydrophobicContact CD1-CD1 3.9Å; I707-I889 HydrophobicContact CD1-CG2 3.97Å; I707-L956 HydrophobicContact CD1-CD2 3.88Å
708	R	94.3	Very high	91.1	Very high	27 Å²	27	34 Å²	34	10%	0.102	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	129.5	179.5	179.7	-174.6	177	-158.5	0.1	109.6	N463 V464 V465 V710 V814 C815 C817 N818	N463-R708 PolarHBondContact O-N 3.33Å; V464-R708 CarbonylContact C-O 3.56Å; V464-R708 VanDerWaalsContact CA-O 3.24Å; V464-R708 WeakPolarHBondContact CA-O 3.25Å; V464-R708 HydrophobicContact CB-CB 4.24Å; V464-R708 HydrophobicContact CG2-CB 4Å; V464-R708 HydrophobicContact CG2-CG 4.07Å; V465-R708 PolarHBondContact N-O 3.35Å; R708-V710 HydrophobicContact CG-CG2 4Å; R708-V814 PolarHBondContact NH1-O 3.35Å; R708-V814 PolarHBondContact NH2-O 2.96Å; R708-C815 VanDerWaalsContact CZ-O 3.28Å; R708-C815 PolarHBondContact NH1-O 2.78Å; R708-C815 PolarHBondContact NH2-O 2.93Å; R708-C817 PolarHBondContact NH2-O 3.49Å; R708-N818 PolarHBondContact NE-OD1 2.94Å; R708-N818 VanDerWaalsContact NE-OD1 3.1Å
709	S	96.3	Very high	90.2	Very high	11 Å²	11	34.5 Å²	34.5	8%	0.077	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	134.1	169.2	-58.3	0	0	0	0	109.5	V465	V465-S709 CarbonylContact O-C 3.58Å; V465-S709 WeakPolarHBondContact O-CA 3.42Å
710	V	96.6	Very high	89.8	Confident	0 Å²	0	34.4 Å²	34.4	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	131	178.2	177.8	0	0	0	0	108.1	V464 V465 C466 F467 R708 V712 N818 F820	V464-V710 HydrophobicContact CG2-CG2 3.74Å; V465-V710 PolarHBondContact O-N 3.45Å; C466-V710 CarbonylContact C-O 3.48Å; C466-V710 VanDerWaalsContact CA-O 3.29Å; C466-V710 WeakPolarHBondContact CA-O 3.21Å; F467-V710 PolarHBondContact N-O 2.95Å; R708-V710 HydrophobicContact CG-CG2 4Å; V710-V712 HydrophobicContact CG1-CG2 3.96Å; V710-N818 CarbonylContact C-O 3.47Å; V710-N818 WeakPolarHBondContact CA-O 3.42Å; V710-F820 HydrophobicContact CG1-CD2 3.46Å; V710-F820 VanDerWaalsContact CG1-CD2 3.46Å; V710-F820 HydrophobicContact CG1-CE2 3.52Å
711	M	96.5	Very high	89.4	Confident	0 Å²	0	31.7 Å²	31.7	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	129.8	171.6	-177.6	179.2	-65.4	0	0	109.5	K469 L473 T713 A720 V723 A724 I729 N818 F820	K469-M711 HydrophobicContact CB-CG 4.5Å; K469-M711 HydrophobicContact CB-SD 4.25Å; K469-M711 HydrophobicContact CG-SD 4.33Å; L473-M711 HydrophobicContact CD1-CE 3.53Å; L473-M711 HydrophobicContact CD1-CG 4.5Å; M711-T713 HydrophobicContact CG-CG2 4.38Å; M711-T713 HydrophobicContact SD-CG2 4.4Å; M711-A720 HydrophobicContact SD-CB 4.04Å; M711-A720 VanDerWaalsContact SD-O 3.4Å; M711-V723 HydrophobicContact CE-CB 4.27Å; M711-V723 HydrophobicContact CE-CG1 3.97Å; M711-A724 HydrophobicContact CE-CB 3.79Å; M711-A724 HydrophobicContact SD-CB 4.29Å; M711-I729 HydrophobicContact CB-CD1 4.18Å; M711-I729 HydrophobicContact CE-CD1 4.06Å; M711-N818 PolarHBondContact N-O 2.6Å; M711-F820 PolarHBondContact O-N 2.81Å
712	V	95.1	Very high	88.8	Confident	3 Å²	3	31.7 Å²	31.7	2%	0.018	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	108.4	177.3	-168.1	0	0	0	0	108.2	C466 F467 D468 V710 F820 M823 K828 L831	C466-V712 HydrophobicContact CB-CG2 4.07Å; F467-V712 PolarHBondContact O-N 2.77Å; D468-V712 WeakPolarHBondContact CA-O 3.27Å; D468-V712 VanDerWaalsContact OD1-O 3.11Å; V710-V712 HydrophobicContact CG1-CG2 3.96Å; V712-F820 CarbonylContact C-O 3.5Å; V712-F820 WeakPolarHBondContact CA-O 3.39Å; V712-F820 HydrophobicContact CG1-CB 4.17Å; V712-F820 HydrophobicContact CG2-CB 4.42Å; V712-F820 HydrophobicContact CG2-CD2 4.42Å; V712-M823 HydrophobicContact CG1-CB 4.15Å; V712-M823 HydrophobicContact CG1-CE 4.42Å; V712-M823 HydrophobicContact CG1-CG 3.96Å; V712-K828 HydrophobicContact CG1-CB 4.39Å; V712-K828 HydrophobicContact CG1-CG 3.79Å; V712-L831 HydrophobicContact CB-CD2 4.4Å; V712-L831 HydrophobicContact CG1-CD2 3.89Å; V712-L831 HydrophobicContact CG2-CD2 3.54Å
713	T	89.7	Confident	88.4	Confident	2 Å²	2	32 Å²	32	1%	0.012	17%	0.171	C	C	.	.			trans	-138.8	156.4	-170.7	-177.2	0	0	0	0	112.6	K469 M711 D715 A720 F820 A821 R822 M823	K469-T713 HydrophobicContact CB-CG2 4.38Å; M711-T713 HydrophobicContact CG-CG2 4.38Å; M711-T713 HydrophobicContact SD-CG2 4.4Å; T713-D715 VanDerWaalsContact C-N 3.33Å; T713-D715 HydrophobicContact CG2-CB 4.21Å; T713-D715 PolarHBondContact OG1-N 2.78Å; T713-A720 HydrophobicContact CG2-CB 3.62Å; T713-F820 PolarHBondContact N-O 3.11Å; T713-A821 HydrophobicContact CG2-CB 4.48Å; T713-A821 CarbonylContact O-C 3.57Å; T713-A821 VanDerWaalsContact O-C 3.29Å; T713-A821 WeakPolarHBondContact O-CA 3.34Å; T713-R822 PolarHBondContact O-N 2.79Å; T713-M823 PolarHBondContact O-N 3.17Å
714	G	82.9	Confident	88.3	Confident	47 Å²	47	27.4 Å²	27.4	49%	0.485	15%	0.151	S	C	.	.	S	Bend	trans	-78.3	-12.4	169.3	0	0	0	0	0	114.3	R822	G714-R822 WeakPolarHBondContact O-CA 3.44Å
715	D	79.3	Confident	88.1	Confident	26 Å²	26	22.4 Å²	22.4	14%	0.139	13%	0.127	C	C	.	.	S	Bend	trans	-71.5	170.6	-174.9	-88.9	-42.1	0	0	0	114.4	K469 T470 R651 T713 A821 R822	K469-D715 HydrophobicContact CD-CB 4.36Å; K469-D715 VanDerWaalsContact CD-OD2 3.27Å; K469-D715 WeakPolarHBondContact CD-OD2 3.45Å; K469-D715 WeakPolarHBondContact CE-OD2 3.29Å; K469-D715 IonicContact NZ-OD2 2.9Å; K469-D715 PolarHBondContact NZ-OD2 3.13Å; T470-D715 PolarHBondContact OG1-OD2 3.39Å; R651-D715 IonicContact NH1-OD1 3.07Å; R651-D715 PolarHBondContact NH1-OD1 2.95Å; T713-D715 VanDerWaalsContact C-N 3.33Å; T713-D715 HydrophobicContact CG2-CB 4.21Å; T713-D715 PolarHBondContact OG1-N 2.78Å; D715-A821 WeakPolarHBondContact O-CB 3.49Å; D715-R822 WeakPolarHBondContact O-CG 3.09Å; D715-R822 PolarHBondContact O-N 3.29Å
716	N	77.5	Confident	87.8	Confident	51 Å²	51	27.1 Å²	27.1	27%	0.273	15%	0.149	S	C	.	.			trans	-58.7	139.8	171	-172.1	-41	0	0	0	110.9	L718 T719 A720	N716-L718 VanDerWaalsContact C-N 3.3Å; N716-L718 PolarHBondContact O-N 3.25Å; N716-L718 PolarHBondContact OD1-N 3.23Å; N716-T719 PolarHBondContact O-N 3.4Å; N716-A720 WeakPolarHBondContact O-CB 3.38Å; N716-A720 PolarHBondContact O-N 3.02Å
717	I	84.4	Confident	87.8	Confident	30 Å²	30	23.4 Å²	23.4	15%	0.154	13%	0.129	C	C	.	.	H	α-helix	trans	-55.6	-38.4	-179.9	-162	167.4	0	0	0	113.7	A720 V721 F738 A793 A821	I717-A720 PolarHBondContact O-N 3.13Å; I717-V721 WeakPolarHBondContact O-CB 3.3Å; I717-V721 WeakPolarHBondContact O-CG2 3.48Å; I717-V721 PolarHBondContact O-N 2.94Å; I717-F738 HydrophobicContact CD1-CD1 3.64Å; I717-F738 HydrophobicContact CD1-CE1 4.19Å; I717-F738 HydrophobicContact CG1-CD1 3.95Å; I717-F738 HydrophobicContact CG1-CE1 3.96Å; I717-F738 HydrophobicContact CG2-CE1 4.44Å; I717-A793 HydrophobicContact CD1-CB 4.08Å; I717-A793 HydrophobicContact CG1-CB 4.16Å; I717-A821 VanDerWaalsContact CA-CB 3.41Å; I717-A821 HydrophobicContact CB-CB 3.71Å; I717-A821 HydrophobicContact CG1-CB 3.9Å
718	L	81.7	Confident	87.6	Confident	72 Å²	72	24.2 Å²	24.2	38%	0.377	14%	0.136	S	C	.	.	H	α-helix	trans	-67.6	-45.2	-179.9	-64.1	178.7	0	0	0	111.5	N716 V721 C722 F738	N716-L718 VanDerWaalsContact C-N 3.3Å; N716-L718 PolarHBondContact O-N 3.25Å; N716-L718 PolarHBondContact OD1-N 3.23Å; L718-V721 PolarHBondContact O-N 3.32Å; L718-C722 PolarHBondContact O-N 3.45Å; L718-F738 HydrophobicContact CD2-CE1 4.2Å; L718-F738 HydrophobicContact CD2-CE2 4.15Å; L718-F738 HydrophobicContact CD2-CZ 3.62Å
719	T	78.5	Confident	87.5	Confident	17 Å²	17	23.5 Å²	23.5	10%	0.104	13%	0.134	C	C	.	.	H	α-helix	trans	-63.8	-43.5	175.6	-50.3	0	0	0	0	110.9	N716 V721 C722 V723	N716-T719 PolarHBondContact O-N 3.4Å; T719-V721 PolarHBondContact O-N 3.48Å; T719-C722 PolarHBondContact O-N 3.14Å; T719-V723 WeakPolarHBondContact O-CG2 3.48Å; T719-V723 PolarHBondContact O-N 2.92Å; T719-V723 VanDerWaalsContact O-N 3.14Å
720	A	86.1	Confident	87.2	Confident	0 Å²	0	23 Å²	23	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-60.8	-45.2	177.9	0	0	0	0	0	111.8	M711 T713 N716 I717 C722 V723 A724 V819 A821	M711-A720 HydrophobicContact SD-CB 4.04Å; M711-A720 VanDerWaalsContact SD-O 3.4Å; T713-A720 HydrophobicContact CG2-CB 3.62Å; N716-A720 WeakPolarHBondContact O-CB 3.38Å; N716-A720 PolarHBondContact O-N 3.02Å; I717-A720 PolarHBondContact O-N 3.13Å; A720-C722 PolarHBondContact O-N 2.94Å; A720-V723 PolarHBondContact O-N 2.84Å; A720-A724 VanDerWaalsContact O-CB 3.24Å; A720-A724 WeakPolarHBondContact O-CB 3.49Å; A720-A724 PolarHBondContact O-N 2.99Å; A720-V819 HydrophobicContact CB-CG1 3.74Å; A720-A821 HydrophobicContact CB-CB 4.19Å
721	V	87.6	Confident	86.7	Confident	1 Å²	1	24.7 Å²	24.7	1%	0.006	14%	0.139	C	C	.	.	H	α-helix	trans	-62.5	-41.3	177.2	159.7	0	0	0	0	112.3	I717 L718 T719 A724 R725 L736 F738 A793 V819	I717-V721 WeakPolarHBondContact O-CB 3.3Å; I717-V721 WeakPolarHBondContact O-CG2 3.48Å; I717-V721 PolarHBondContact O-N 2.94Å; L718-V721 PolarHBondContact O-N 3.32Å; T719-V721 PolarHBondContact O-N 3.48Å; V721-A724 PolarHBondContact O-N 3.44Å; V721-R725 PolarHBondContact O-N 3.28Å; V721-L736 HydrophobicContact CB-CD2 4.19Å; V721-L736 HydrophobicContact CG1-CD2 3.2Å; V721-L736 HydrophobicContact CG2-CD2 3.88Å; V721-F738 HydrophobicContact CG2-CE1 3.85Å; V721-F738 HydrophobicContact CG2-CZ 4.46Å; V721-A793 HydrophobicContact CG2-CB 3.62Å; V721-V819 HydrophobicContact CG2-CB 4.37Å; V721-V819 HydrophobicContact CG2-CG1 4.17Å; V721-V819 HydrophobicContact CG2-CG2 4.36Å
722	C	81.7	Confident	85.9	Confident	31 Å²	31	27.9 Å²	27.9	21%	0.209	16%	0.16	C	C	.	.	H	α-helix	trans	-62.9	-49.1	178.7	-169.5	0	0	0	0	111.5	K648 G649 L718 T719 A720 A724 R725 E726	K648-C722 PolarHBondContact O-SG 3.31Å; G649-C722 WeakPolarHBondContact CA-SG 3.49Å; L718-C722 PolarHBondContact O-N 3.45Å; T719-C722 PolarHBondContact O-N 3.14Å; A720-C722 PolarHBondContact O-N 2.94Å; C722-A724 VanDerWaalsContact C-N 3.27Å; C722-A724 PolarHBondContact O-N 2.98Å; C722-R725 WeakPolarHBondContact O-CB 3.42Å; C722-R725 PolarHBondContact O-N 3.08Å; C722-R725 VanDerWaalsContact O-N 3.1Å; C722-E726 PolarHBondContact O-N 2.98Å
723	V	87.1	Confident	85.2	Confident	5 Å²	5	30.7 Å²	30.7	3%	0.03	18%	0.18	C	C	.	.	H	α-helix	trans	-60.8	-39.5	175.9	178.1	0	0	0	0	110.7	K469 T474 L691 M711 T719 A720 R725 E726 C727	K469-V723 HydrophobicContact CG-CG1 4.31Å; T474-V723 HydrophobicContact CG2-CG1 3.8Å; T474-V723 HydrophobicContact CG2-CG2 4.41Å; L691-V723 HydrophobicContact CD2-CG1 3.57Å; L691-V723 HydrophobicContact CG-CG1 4.47Å; M711-V723 HydrophobicContact CE-CB 4.27Å; M711-V723 HydrophobicContact CE-CG1 3.97Å; T719-V723 WeakPolarHBondContact O-CG2 3.48Å; T719-V723 PolarHBondContact O-N 2.92Å; T719-V723 VanDerWaalsContact O-N 3.14Å; A720-V723 PolarHBondContact O-N 2.84Å; V723-R725 VanDerWaalsContact C-N 3.29Å; V723-R725 PolarHBondContact O-N 2.77Å; V723-E726 PolarHBondContact O-N 3.14Å; V723-C727 PolarHBondContact O-N 3.1Å; V723-C727 PolarHBondContact O-SG 3.18Å
724	A	90.9	Very high	85	Confident	0 Å²	0	32.1 Å²	32.1	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-63.1	-31.7	176.5	0	0	0	0	0	113.4	M711 A720 V721 C722 S728 I729 V730 V819	M711-A724 HydrophobicContact CE-CB 3.79Å; M711-A724 HydrophobicContact SD-CB 4.29Å; A720-A724 VanDerWaalsContact O-CB 3.24Å; A720-A724 WeakPolarHBondContact O-CB 3.49Å; A720-A724 PolarHBondContact O-N 2.99Å; V721-A724 PolarHBondContact O-N 3.44Å; C722-A724 VanDerWaalsContact C-N 3.27Å; C722-A724 PolarHBondContact O-N 2.98Å; A724-S728 CarbonylContact O-C 3.51Å; A724-S728 PolarHBondContact O-N 3.03Å; A724-I729 HydrophobicContact CB-CB 4.15Å; A724-I729 HydrophobicContact CB-CG2 4.32Å; A724-I729 WeakPolarHBondContact O-CA 3.49Å; A724-I729 PolarHBondContact O-N 3.13Å; A724-V730 HydrophobicContact CB-CB 4.37Å; A724-V730 HydrophobicContact CB-CG2 3.78Å; A724-V730 PolarHBondContact O-N 3.48Å; A724-V819 HydrophobicContact CB-CG2 3.6Å
725	R	87.2	Confident	85	Confident	62 Å²	62	30.3 Å²	30.3	23%	0.234	17%	0.167	C	C	.	.	H	α-helix	trans	-74.3	-44.2	172.7	-79.6	-177.9	165	160	1.2	112	V721 C722 V723 C727 S728 V730 E755	V721-R725 PolarHBondContact O-N 3.28Å; C722-R725 WeakPolarHBondContact O-CB 3.42Å; C722-R725 PolarHBondContact O-N 3.08Å; C722-R725 VanDerWaalsContact O-N 3.1Å; V723-R725 VanDerWaalsContact C-N 3.29Å; V723-R725 PolarHBondContact O-N 2.77Å; R725-C727 PolarHBondContact O-N 3.35Å; R725-S728 PolarHBondContact O-N 3.45Å; R725-V730 HydrophobicContact CG-CB 3.97Å; R725-V730 HydrophobicContact CG-CG1 3.88Å; R725-E755 IonicContact CZ-OE1 2.86Å; R725-E755 IonicContact CZ-OE2 3.26Å; R725-E755 IonicContact NH1-OE1 3.98Å; R725-E755 PolarHBondContact NH1-OE1 2.77Å; R725-E755 IonicContact NH1-OE2 3.89Å; R725-E755 PolarHBondContact NH1-OE2 3.18Å; R725-E755 IonicContact NH2-OE1 2.91Å; R725-E755 IonicContact NH2-OE2 2.73Å; R725-E755 PolarHBondContact NH2-OE2 3Å
726	E	86.3	Confident	85.3	Confident	100 Å²	100	29.1 Å²	29.1	47%	0.467	16%	0.161	S	C	.	.	H	α-helix	trans	-64.2	-29.5	-179.5	-164.2	-168.5	161.9	0	0	112.2	L691 Q696 C722 V723	L691-E726 HydrophobicContact CD1-CB 3.73Å; L691-E726 VanDerWaalsContact CD1-CD 3.47Å; L691-E726 HydrophobicContact CD1-CG 3.5Å; L691-E726 HydrophobicContact CG-CG 4.43Å; Q696-E726 PolarHBondContact OE1-O 3.34Å; C722-E726 PolarHBondContact O-N 2.98Å; V723-E726 PolarHBondContact O-N 3.14Å
727	C	90.6	Very high	85.7	Confident	0 Å²	0	28.2 Å²	28.2	0%	0	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96	5.8	172.3	71.6	0	0	0	0	114.7	L691 T695 Q696 I699 V723 R725 I729	L691-C727 HydrophobicContact CD1-CB 3.95Å; L691-C727 HydrophobicContact CD2-CB 4.22Å; T695-C727 HydrophobicContact CG2-CB 3.76Å; Q696-C727 PolarHBondContact NE2-O 2.81Å; Q696-C727 VanDerWaalsContact NE2-O 3.12Å; Q696-C727 PolarHBondContact OE1-O 3.26Å; I699-C727 VanDerWaalsContact CB-O 3.31Å; I699-C727 WeakPolarHBondContact CB-O 3.33Å; I699-C727 HydrophobicContact CG1-CB 4.48Å; I699-C727 WeakPolarHBondContact CG2-O 3.29Å; V723-C727 PolarHBondContact O-N 3.1Å; V723-C727 PolarHBondContact O-SG 3.18Å; R725-C727 PolarHBondContact O-N 3.35Å; C727-I729 VanDerWaalsContact C-N 3.29Å; C727-I729 PolarHBondContact O-N 3.36Å; C727-I729 VanDerWaalsContact SG-CD1 3.52Å; C727-I729 VanDerWaalsContact SG-CG1 3.51Å
728	S	89.9	Confident	85.9	Confident	24 Å²	24	27.7 Å²	27.7	17%	0.168	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.7	22.6	-179.8	-52.2	0	0	0	0	116.5	Q696 A724 R725	Q696-S728 VanDerWaalsContact CD-OG 3.3Å; Q696-S728 VanDerWaalsContact NE2-CB 3.34Å; Q696-S728 PolarHBondContact NE2-OG 3.46Å; Q696-S728 PolarHBondContact OE1-OG 3.33Å; A724-S728 CarbonylContact O-C 3.51Å; A724-S728 PolarHBondContact O-N 3.03Å; R725-S728 PolarHBondContact O-N 3.45Å
729	I	92.3	Very high	86.1	Confident	11 Å²	11	24.4 Å²	24.4	6%	0.056	13%	0.133	C	C	.	.	S	Bend	trans	-66.6	-42.6	166.2	-71.9	175.7	0	0	0	110.2	L473 I699 M711 A724 C727 N818	L473-I729 HydrophobicContact CD1-CD1 3.98Å; I699-I729 HydrophobicContact CD1-CD1 4.16Å; I699-I729 HydrophobicContact CD1-CG1 3.99Å; I699-I729 HydrophobicContact CG1-CG1 4.23Å; I699-I729 HydrophobicContact CG2-CG1 3.98Å; M711-I729 HydrophobicContact CB-CD1 4.18Å; M711-I729 HydrophobicContact CE-CD1 4.06Å; A724-I729 HydrophobicContact CB-CB 4.15Å; A724-I729 HydrophobicContact CB-CG2 4.32Å; A724-I729 WeakPolarHBondContact O-CA 3.49Å; A724-I729 PolarHBondContact O-N 3.13Å; C727-I729 VanDerWaalsContact C-N 3.29Å; C727-I729 PolarHBondContact O-N 3.36Å; C727-I729 VanDerWaalsContact SG-CD1 3.52Å; C727-I729 VanDerWaalsContact SG-CG1 3.51Å; I729-N818 HydrophobicContact CG2-CB 4.14Å
730	V	90	Very high	86.3	Confident	0 Å²	0	27.5 Å²	27.5	0%	0	15%	0.147	C	C	.	.	S	Bend	trans	-94.3	125.8	168	172.3	0	0	0	0	107.2	A724 R725 P732 L736 E791 V819	A724-V730 HydrophobicContact CB-CB 4.37Å; A724-V730 HydrophobicContact CB-CG2 3.78Å; A724-V730 PolarHBondContact O-N 3.48Å; R725-V730 HydrophobicContact CG-CB 3.97Å; R725-V730 HydrophobicContact CG-CG1 3.88Å; V730-P732 VanDerWaalsContact O-CD 3.23Å; V730-P732 WeakPolarHBondContact O-CD 3.37Å; V730-L736 HydrophobicContact CG1-CD1 4.24Å; V730-E791 HydrophobicContact CG1-CB 4.28Å; V730-E791 HydrophobicContact CG1-CG 4.29Å; V730-V819 HydrophobicContact CG2-CG2 3.67Å
731	D	85.5	Confident	86.1	Confident	36 Å²	36	28.5 Å²	28.5	19%	0.193	15%	0.153	C	C	.	.			trans	-67.5	118.2	177.6	-160.1	-47.7	0	0	0	110	K703 S733 L734	K703-D731 IonicContact NZ-OD2 2.79Å; K703-D731 PolarHBondContact NZ-OD2 3.47Å; D731-S733 VanDerWaalsContact CG-OG 3.28Å; D731-S733 PolarHBondContact O-N 2.86Å; D731-S733 VanDerWaalsContact O-N 3.08Å; D731-S733 VanDerWaalsContact OD1-CB 3.31Å; D731-S733 WeakPolarHBondContact OD1-CB 3.49Å; D731-S733 PolarHBondContact OD1-N 3.2Å; D731-S733 PolarHBondContact OD1-OG 2.83Å; D731-L734 HydrophobicContact CB-CB 4.39Å; D731-L734 HydrophobicContact CB-CD1 4.01Å; D731-L734 HydrophobicContact CB-CG 4.06Å; D731-L734 PolarHBondContact O-N 2.92Å
732	P	80.4	Confident	85.7	Confident	68 Å²	68	30.4 Å²	30.4	44%	0.442	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-18.3	179.4	-22.1	34.2	0	0	0	113.3	V730 Y762	V730-P732 VanDerWaalsContact O-CD 3.23Å; V730-P732 WeakPolarHBondContact O-CD 3.37Å; P732-Y762 PolarHBondContact O-OH 3.17Å; P732-Y762 VanDerWaalsContact O-OH 3.06Å
733	S	80.7	Confident	85.4	Confident	61 Å²	61	30.9 Å²	30.9	43%	0.427	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.6	-8.1	-179.7	70.6	0	0	0	0	115.3	D731 Y762	D731-S733 VanDerWaalsContact CG-OG 3.28Å; D731-S733 PolarHBondContact O-N 2.86Å; D731-S733 VanDerWaalsContact O-N 3.08Å; D731-S733 VanDerWaalsContact OD1-CB 3.31Å; D731-S733 WeakPolarHBondContact OD1-CB 3.49Å; D731-S733 PolarHBondContact OD1-N 3.2Å; D731-S733 PolarHBondContact OD1-OG 2.83Å; S733-Y762 WeakPolarHBondContact CA-OH 3.39Å; S733-Y762 VanDerWaalsContact O-CE1 3.26Å; S733-Y762 WeakPolarHBondContact O-CE1 3.43Å
734	L	84.2	Confident	84.6	Confident	32 Å²	32	32.5 Å²	32.5	17%	0.168	18%	0.181	C	C	.	.	S	Bend	trans	-109.5	147.5	-176.9	-64.3	179.8	0	0	0	111.7	D731 R788 E791	D731-L734 HydrophobicContact CB-CB 4.39Å; D731-L734 HydrophobicContact CB-CD1 4.01Å; D731-L734 HydrophobicContact CB-CG 4.06Å; D731-L734 PolarHBondContact O-N 2.92Å; L734-R788 HydrophobicContact CD1-CB 4.3Å; L734-E791 HydrophobicContact CB-CG 4.23Å; L734-E791 HydrophobicContact CD1-CG 4.19Å
735	P	83.4	Confident	83.6	Confident	10 Å²	10	40 Å²	40	7%	0.065	22%	0.221	C	C	.	.			trans	-65.6	141.3	171.5	28.5	-34.1	0	0	0	110.6	Y737 T789 Y790 E791	P735-Y737 HydrophobicContact CB-CE2 3.99Å; P735-Y737 HydrophobicContact CG-CE2 4.23Å; P735-T789 WeakPolarHBondContact CD-O 3.38Å; P735-Y790 WeakPolarHBondContact O-CA 3.25Å; P735-E791 PolarHBondContact O-N 2.93Å
736	L	85.5	Confident	82.6	Confident	0 Å²	0	39.3 Å²	39.3	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	133.9	179.9	179.7	74.3	0	0	0	109.9	V721 V730 F738 E755 E791 A793	V721-L736 HydrophobicContact CB-CD2 4.19Å; V721-L736 HydrophobicContact CG1-CD2 3.2Å; V721-L736 HydrophobicContact CG2-CD2 3.88Å; V730-L736 HydrophobicContact CG1-CD1 4.24Å; L736-F738 HydrophobicContact CD2-CZ 4.38Å; L736-E755 PolarHBondContact O-N 3.23Å; L736-E755 VanDerWaalsContact O-N 3.1Å; L736-E791 WeakPolarHBondContact CA-O 3.49Å; L736-E791 HydrophobicContact CD1-CB 3.72Å; L736-A793 HydrophobicContact CD1-CB 4.34Å
737	Y	86.3	Confident	81.6	Confident	32 Å²	32	37.2 Å²	37.2	13%	0.125	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	140.9	174.6	-55.7	-96.7	0	0	0	111.5	P735 L752 P754 Y790 E791 L792 A793 I1140	P735-Y737 HydrophobicContact CB-CE2 3.99Å; P735-Y737 HydrophobicContact CG-CE2 4.23Å; Y737-L752 HydrophobicContact CD1-CB 4.37Å; Y737-P754 HydrophobicContact CD1-CB 3.88Å; Y737-P754 HydrophobicContact CE1-CB 3.85Å; Y737-Y790 HydrophobicContact CD2-CD2 4.31Å; Y737-Y790 HydrophobicContact CE2-CG 4.48Å; Y737-E791 PolarHBondContact N-O 2.82Å; Y737-L792 WeakPolarHBondContact O-CA 3.46Å; Y737-A793 PolarHBondContact O-N 3.43Å; Y737-I1140 HydrophobicContact CD1-CD1 4.3Å; Y737-I1140 HydrophobicContact CD2-CD1 3.44Å; Y737-I1140 VanDerWaalsContact CD2-CD1 3.44Å; Y737-I1140 HydrophobicContact CE1-CD1 4.46Å; Y737-I1140 HydrophobicContact CE2-CD1 3.65Å; Y737-I1140 HydrophobicContact CG-CD1 3.8Å
738	F	87.1	Confident	80.8	Confident	19 Å²	19	38 Å²	38	8%	0.083	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	134	169.8	-58.5	-73.6	0	0	0	109.9	I717 L718 V721 L736 L752 C753 E755 A793	I717-F738 HydrophobicContact CD1-CD1 3.64Å; I717-F738 HydrophobicContact CD1-CE1 4.19Å; I717-F738 HydrophobicContact CG1-CD1 3.95Å; I717-F738 HydrophobicContact CG1-CE1 3.96Å; I717-F738 HydrophobicContact CG2-CE1 4.44Å; L718-F738 HydrophobicContact CD2-CE1 4.2Å; L718-F738 HydrophobicContact CD2-CE2 4.15Å; L718-F738 HydrophobicContact CD2-CZ 3.62Å; V721-F738 HydrophobicContact CG2-CE1 3.85Å; V721-F738 HydrophobicContact CG2-CZ 4.46Å; L736-F738 HydrophobicContact CD2-CZ 4.38Å; F738-L752 WeakPolarHBondContact O-CA 3.5Å; F738-C753 HydrophobicContact CB-CB 4.33Å; F738-C753 PolarHBondContact N-O 3.38Å; F738-C753 PolarHBondContact O-N 3Å; F738-E755 HydrophobicContact CD2-CB 4.37Å; F738-E755 HydrophobicContact CE2-CB 3.61Å; F738-E755 HydrophobicContact CE2-CG 3.78Å; F738-E755 HydrophobicContact CZ-CB 4.26Å; F738-E755 HydrophobicContact CZ-CG 4.14Å; F738-A793 WeakPolarHBondContact CA-O 3.48Å; F738-A793 HydrophobicContact CD1-CB 3.91Å; F738-A793 HydrophobicContact CE1-CB 4.11Å
739	V	86.7	Confident	80.2	Confident	3 Å²	3	39 Å²	39	2%	0.018	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	122.3	174.4	-177.1	0	0	0	0	109.1	V750 L752 L792 A793 I794 V798 I802 L813 L1143	V739-V750 HydrophobicContact CG1-CG1 3.75Å; V739-L752 HydrophobicContact CG2-CD2 4.01Å; V739-L792 HydrophobicContact CG2-CD1 4.36Å; V739-L792 HydrophobicContact CG2-CD2 4.35Å; V739-A793 PolarHBondContact N-O 2.57Å; V739-I794 HydrophobicContact CB-CB 4.31Å; V739-I794 HydrophobicContact CB-CD1 3.98Å; V739-I794 HydrophobicContact CB-CG1 4.04Å; V739-I794 HydrophobicContact CG1-CD1 3.96Å; V739-I794 HydrophobicContact CG1-CG1 4.47Å; V739-V798 HydrophobicContact CG1-CG1 4.26Å; V739-I802 HydrophobicContact CG1-CD1 4Å; V739-L813 HydrophobicContact CG1-CD2 4.39Å; V739-L813 HydrophobicContact CG2-CD2 4Å; V739-L1143 HydrophobicContact CG1-CD2 4.2Å; V739-L1143 HydrophobicContact CG2-CD2 4.45Å
740	E	83.7	Confident	79.5	Confident	83 Å²	83	38.7 Å²	38.7	39%	0.388	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	153.7	178.7	-67	-176.7	-177.2	0	0	111	V750 R751 C753	E740-V750 CarbonylContact O-C 3.58Å; E740-V750 WeakPolarHBondContact O-CA 3.46Å; E740-R751 PolarHBondContact N-O 3.01Å; E740-R751 PolarHBondContact O-N 3.14Å; E740-C753 PolarHBondContact OE2-SG 2.7Å
741	C	81.7	Confident	78.9	Confident	20 Å²	20	43.9 Å²	43.9	14%	0.135	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	120.6	171.1	-73.4	0	0	0	0	108.5	E749 V798 T801 I802	C741-E749 WeakPolarHBondContact CA-O 3.32Å; C741-V798 HydrophobicContact CB-CG1 4.49Å; C741-T801 HydrophobicContact CB-CG2 4.18Å; C741-I802 VanDerWaalsContact SG-CG1 3.54Å
742	V	78.4	Confident	78.5	Confident	42 Å²	42	43.8 Å²	43.8	26%	0.255	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	133.4	-178.4	-173.5	0	0	0	0	108.7	V744 E749	V742-V744 HydrophobicContact CB-CG2 4.32Å; V742-V744 HydrophobicContact CG1-CG2 3.85Å; V742-E749 PolarHBondContact N-O 3.47Å; V742-E749 PolarHBondContact O-N 2.99Å
743	A	75.2	Confident	78.2	Confident	41 Å²	41	42.5 Å²	42.5	34%	0.339	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	116.3	169.1	0	0	0	0	0	108.8	K747 M748	A743-K747 CarbonylContact C-O 3.05Å; A743-K747 WeakPolarHBondContact CA-O 3.16Å; A743-M748 HydrophobicContact CB-CE 4.09Å; A743-M748 HydrophobicContact CB-SD 3.92Å
744	V	70.5	Confident	77.9	Confident	38 Å²	38	42.5 Å²	42.5	23%	0.23	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	121.7	-179.6	-174.3	0	0	0	0	107.3	V742 G746 K747 R751	V742-V744 HydrophobicContact CB-CG2 4.32Å; V742-V744 HydrophobicContact CG1-CG2 3.85Å; V744-G746 PolarHBondContact O-N 2.77Å; V744-G746 VanDerWaalsContact O-N 3.13Å; V744-K747 PolarHBondContact N-O 3.18Å; V744-K747 WeakPolarHBondContact O-CA 3.4Å; V744-K747 WeakPolarHBondContact O-CB 3.36Å; V744-K747 PolarHBondContact O-N 2.82Å; V744-R751 VanDerWaalsContact CG2-NH2 3.28Å
745	D	70.3	Confident	77.2	Confident	158 Å²	158	42.6 Å²	42.6	85%	0.845	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.3	38.6	-179.2	-55.7	-32	0	0	0	113.9	K747	D745-K747 VanDerWaalsContact C-N 3.25Å; D745-K747 PolarHBondContact O-N 2.79Å
746	G	65.3	Low	75.8	Confident	47 Å²	47	49 Å²	49	49%	0.485	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.4	13.9	-176.6	0	0	0	0	0	114.5	V744 A1151	V744-G746 PolarHBondContact O-N 2.77Å; V744-G746 VanDerWaalsContact O-N 3.13Å; G746-A1151 WeakPolarHBondContact O-CB 3.44Å; G746-A1151 PolarHBondContact O-N 3.4Å; G746-A1151 VanDerWaalsContact O-N 3.14Å
747	K	65.7	Low	74.1	Confident	56 Å²	56	50.8 Å²	50.8	24%	0.243	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	135.6	174.5	-57.8	-171.1	-179.8	-162	0	109.2	A743 V744 D745 K1148 V1149 E1150	A743-K747 CarbonylContact C-O 3.05Å; A743-K747 WeakPolarHBondContact CA-O 3.16Å; V744-K747 PolarHBondContact N-O 3.18Å; V744-K747 WeakPolarHBondContact O-CA 3.4Å; V744-K747 WeakPolarHBondContact O-CB 3.36Å; V744-K747 PolarHBondContact O-N 2.82Å; D745-K747 VanDerWaalsContact C-N 3.25Å; D745-K747 PolarHBondContact O-N 2.79Å; K747-K1148 HydrophobicContact CD-CB 4.11Å; K747-K1148 HydrophobicContact CD-CD 4.42Å; K747-V1149 WeakPolarHBondContact CA-O 3.45Å; K747-V1149 WeakPolarHBondContact CB-O 3.12Å; K747-E1150 HydrophobicContact CD-CG 4.37Å; K747-E1150 VanDerWaalsContact CE-CG 3.44Å; K747-E1150 IonicContact NZ-OE1 3.93Å; K747-E1150 PolarHBondContact NZ-OE1 3.28Å
748	M	73.9	Confident	72.4	Confident	16 Å²	16	49.5 Å²	49.5	8%	0.079	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	126.2	173	-73.9	-65.5	-178	0	0	109.3	A743 Y805 F806 L1157	A743-M748 HydrophobicContact CB-CE 4.09Å; A743-M748 HydrophobicContact CB-SD 3.92Å; M748-Y805 HydrophobicContact CB-CD1 4.42Å; M748-Y805 HydrophobicContact CB-CG 4.46Å; M748-Y805 HydrophobicContact CE-CE2 4.49Å; M748-Y805 HydrophobicContact CG-CD1 4.1Å; M748-Y805 HydrophobicContact CG-CD2 4.36Å; M748-Y805 HydrophobicContact CG-CE1 4.09Å; M748-Y805 HydrophobicContact CG-CE2 4.39Å; M748-Y805 HydrophobicContact CG-CG 4.24Å; M748-F806 HydrophobicContact CB-CE2 4.13Å; M748-F806 HydrophobicContact CB-CZ 4.37Å; M748-F806 WeakPolarHBondContact O-CZ 3.44Å; M748-L1157 HydrophobicContact CE-CD1 3.33Å; M748-L1157 HydrophobicContact CE-CD2 3.75Å; M748-L1157 HydrophobicContact CE-CG 4.19Å
749	E	76.4	Confident	70.2	Confident	45 Å²	45	51.7 Å²	51.7	21%	0.21	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	139.4	174.9	-66.8	-173.6	161.4	0	0	110	C741 V742 R751 K1148	C741-E749 WeakPolarHBondContact CA-O 3.32Å; V742-E749 PolarHBondContact N-O 3.47Å; V742-E749 PolarHBondContact O-N 2.99Å; E749-R751 IonicContact OE2-CZ 3.94Å; E749-R751 IonicContact OE2-NE 3.92Å; E749-R751 IonicContact OE2-NH2 3.81Å; E749-R751 PolarHBondContact OE2-NH2 3.49Å; E749-K1148 WeakPolarHBondContact OE1-CE 3.24Å
750	V	78.6	Confident	67.9	Low	6 Å²	6	59.9 Å²	59.9	4%	0.036	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	122.3	172.8	-172.3	0	0	0	0	108.3	V739 E740 I802 F806 L809 L1143	V739-V750 HydrophobicContact CG1-CG1 3.75Å; E740-V750 CarbonylContact O-C 3.58Å; E740-V750 WeakPolarHBondContact O-CA 3.46Å; V750-I802 HydrophobicContact CG1-CD1 4.46Å; V750-F806 HydrophobicContact CG2-CD2 3.73Å; V750-F806 HydrophobicContact CG2-CE2 3.77Å; V750-F806 HydrophobicContact CG2-CG 4.41Å; V750-F806 HydrophobicContact CG2-CZ 4.48Å; V750-L809 HydrophobicContact CG2-CD1 4.23Å; V750-L1143 HydrophobicContact CG1-CD2 3.56Å; V750-L1143 HydrophobicContact CG1-CG 4.41Å
751	R	76.4	Confident	65.6	Low	108 Å²	108	65.5 Å²	65.5	41%	0.408	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	152.3	-179	-67.8	-176.2	179.3	-179.2	-4.6	111.4	E740 V744 E749	E740-R751 PolarHBondContact N-O 3.01Å; E740-R751 PolarHBondContact O-N 3.14Å; V744-R751 VanDerWaalsContact CG2-NH2 3.28Å; E749-R751 IonicContact OE2-CZ 3.94Å; E749-R751 IonicContact OE2-NE 3.92Å; E749-R751 IonicContact OE2-NH2 3.81Å; E749-R751 PolarHBondContact OE2-NH2 3.49Å
752	L	77.7	Confident	63.4	Low	35 Å²	35	68.2 Å²	68.2	18%	0.183	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	115.8	173.1	-74.4	164.5	0	0	0	109.4	Y737 F738 V739 P754 L792 I1140 L1143	Y737-L752 HydrophobicContact CD1-CB 4.37Å; F738-L752 WeakPolarHBondContact O-CA 3.5Å; V739-L752 HydrophobicContact CG2-CD2 4.01Å; L752-P754 WeakPolarHBondContact O-CD 3.38Å; L752-L792 HydrophobicContact CD2-CD2 3.83Å; L752-I1140 HydrophobicContact CD1-CD1 3.56Å; L752-I1140 HydrophobicContact CD1-CG1 3.52Å; L752-I1140 HydrophobicContact CD2-CD1 4.4Å; L752-L1143 HydrophobicContact CD1-CB 3.92Å; L752-L1143 HydrophobicContact CD1-CD2 4.02Å; L752-L1143 HydrophobicContact CD1-CG 4.49Å; L752-L1143 HydrophobicContact CD2-CD2 3.78Å; L752-L1143 HydrophobicContact CG-CB 4.5Å; L752-L1143 HydrophobicContact CG-CD2 3.69Å
753	C	75.1	Confident	61	Low	40 Å²	40	72.1 Å²	72.1	27%	0.27	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	109.8	172.9	-69.1	0	0	0	0	107.8	F738 E740	F738-C753 HydrophobicContact CB-CB 4.33Å; F738-C753 PolarHBondContact N-O 3.38Å; F738-C753 PolarHBondContact O-N 3Å; E740-C753 PolarHBondContact OE2-SG 2.7Å
754	P	74.5	Confident	59	Low	62 Å²	62	74.5 Å²	74.5	40%	0.403	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.4	141.9	171.8	27	-32.4	0	0	0	108.9	Y737 L752 E756 V759	Y737-P754 HydrophobicContact CD1-CB 3.88Å; Y737-P754 HydrophobicContact CE1-CB 3.85Å; L752-P754 WeakPolarHBondContact O-CD 3.38Å; P754-E756 PolarHBondContact O-N 2.79Å; P754-V759 HydrophobicContact CB-CG2 3.68Å; P754-V759 HydrophobicContact CG-CG2 4.37Å
755	E	68.9	Low	57	Low	33 Å²	33	77.1 Å²	77.1	15%	0.154	41%	0.406	C	S	.	.	P	Polyproline II helix	trans	-68.2	126.9	171.3	-174.1	-157.2	-134	0	0	109.9	R725 L736 F738 G757 S758	R725-E755 IonicContact CZ-OE1 2.86Å; R725-E755 IonicContact CZ-OE2 3.26Å; R725-E755 IonicContact NH1-OE1 3.98Å; R725-E755 PolarHBondContact NH1-OE1 2.77Å; R725-E755 IonicContact NH1-OE2 3.89Å; R725-E755 PolarHBondContact NH1-OE2 3.18Å; R725-E755 IonicContact NH2-OE1 2.91Å; R725-E755 IonicContact NH2-OE2 2.73Å; R725-E755 PolarHBondContact NH2-OE2 3Å; L736-E755 PolarHBondContact O-N 3.23Å; L736-E755 VanDerWaalsContact O-N 3.1Å; F738-E755 HydrophobicContact CD2-CB 4.37Å; F738-E755 HydrophobicContact CE2-CB 3.61Å; F738-E755 HydrophobicContact CE2-CG 3.78Å; F738-E755 HydrophobicContact CZ-CB 4.26Å; F738-E755 HydrophobicContact CZ-CG 4.14Å; E755-G757 PolarHBondContact O-N 3.16Å; E755-S758 WeakPolarHBondContact O-CB 3.31Å; E755-S758 PolarHBondContact O-N 2.82Å; E755-S758 VanDerWaalsContact O-N 3.09Å; E755-S758 PolarHBondContact O-OG 3.08Å
756	E	54.3	Low	55.4	Low	146 Å²	146	73.9 Å²	73.9	68%	0.682	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	124	-179.9	-68.4	-173.2	164.8	0	0	112	P754	P754-E756 PolarHBondContact O-N 2.79Å
757	G	50.4	Low	53.8	Low	36 Å²	36	81.2 Å²	81.2	37%	0.371	41%	0.408	S	S	.	.	T	Hydrogen-bonded Turn	trans	95.5	-18.9	-177.9	0	0	0	0	0	115.3	E755 V759 H760 R761	E755-G757 PolarHBondContact O-N 3.16Å; G757-V759 VanDerWaalsContact C-N 3.34Å; G757-H760 PolarHBondContact O-N 3.41Å; G757-R761 PolarHBondContact O-N 3.11Å
758	S	49.8	Very low	51.9	Low	6 Å²	6	86.3 Å²	86.3	4%	0.042	43%	0.431	C	S	.	.	H	α-helix	trans	-66.9	-37.7	171.5	68.3	0	0	0	0	111.7	E755 H760 R761 Y762	E755-S758 WeakPolarHBondContact O-CB 3.31Å; E755-S758 PolarHBondContact O-N 2.82Å; E755-S758 VanDerWaalsContact O-N 3.09Å; E755-S758 PolarHBondContact O-OG 3.08Å; S758-H760 PolarHBondContact O-N 2.88Å; S758-R761 PolarHBondContact O-N 3.42Å; S758-Y762 WeakPolarHBondContact O-CD2 3.32Å; S758-Y762 PolarHBondContact O-N 3.29Å
759	V	40.7	Very low	49.9	Very low	65 Å²	65	93.6 Å²	93.6	39%	0.394	47%	0.469	S	S	.	.	H	α-helix	trans	-71.2	-28.1	179.2	-173.1	0	0	0	0	112.4	P754 G757 Y762	P754-V759 HydrophobicContact CB-CG2 3.68Å; P754-V759 HydrophobicContact CG-CG2 4.37Å; G757-V759 VanDerWaalsContact C-N 3.34Å; V759-Y762 CarbonylContact O-C 3.4Å
760	H	37.8	Very low	47.6	Very low	174 Å²	174	97.4 Å²	97.4	81%	0.806	49%	0.491	S	S	*	.	H	α-helix	trans	-81.1	-25.6	177.5	-73.6	-63.3	0	0	0	113.6	G757 S758	G757-H760 PolarHBondContact O-N 3.41Å; S758-H760 PolarHBondContact O-N 2.88Å
761	R	35.8	Very low	45.8	Very low	201 Å²	201	103.1 Å²	103.1	76%	0.758	53%	0.528	S	S	*	.	H	α-helix	trans	-81.1	-24	173.9	-81.5	-174.6	-168.2	163.5	6.1	113.7	G757 S758	G757-R761 PolarHBondContact O-N 3.11Å; S758-R761 PolarHBondContact O-N 3.42Å
762	Y	36.5	Very low	43.8	Very low	78 Å²	78	102 Å²	102	31%	0.306	53%	0.534	S	S	.	.	S	Bend	trans	-131.1	95.9	-178.1	-57.9	-74	0	0	0	109.5	P732 S733 S758 V759 T764	P732-Y762 PolarHBondContact O-OH 3.17Å; P732-Y762 VanDerWaalsContact O-OH 3.06Å; S733-Y762 WeakPolarHBondContact CA-OH 3.39Å; S733-Y762 VanDerWaalsContact O-CE1 3.26Å; S733-Y762 WeakPolarHBondContact O-CE1 3.43Å; S758-Y762 WeakPolarHBondContact O-CD2 3.32Å; S758-Y762 PolarHBondContact O-N 3.29Å; V759-Y762 CarbonylContact O-C 3.4Å; Y762-T764 PolarHBondContact O-N 2.87Å
763	P	27.4	Very low	41.6	Very low	123 Å²	123	104.3 Å²	104.3	80%	0.799	57%	0.566	S	S	*	*			trans	-75	65	173.3	32.4	-34.1	0	0	0	110	N765	P763-N765 VanDerWaalsContact C-N 3.29Å; P763-N765 PolarHBondContact O-N 3.35Å
764	T	33	Very low	39.3	Very low	91 Å²	91	110.6 Å²	110.6	56%	0.558	59%	0.591	S	S	*	*			trans	-84.5	88.4	148.9	43.7	0	0	0	0	105.8	Y762 P766	Y762-T764 PolarHBondContact O-N 2.87Å; T764-P766 WeakPolarHBondContact O-CD 3.49Å; T764-P766 VanDerWaalsContact O-N 3.13Å
765	N	28.2	Very low	37	Very low	94 Å²	94	116.3 Å²	116.3	50%	0.503	61%	0.609	S	S	.	*			trans	-60.4	112	172	-150.6	-9.5	0	0	0	106.6	P763 Y767 K768	P763-N765 VanDerWaalsContact C-N 3.29Å; P763-N765 PolarHBondContact O-N 3.35Å; N765-Y767 PolarHBondContact O-N 3.28Å; N765-K768 HydrophobicContact CB-CB 4.32Å; N765-K768 PolarHBondContact O-N 2.83Å
766	P	38.1	Very low	35	Very low	90 Å²	90	120 Å²	120	58%	0.584	64%	0.637	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.2	-10.4	-176.2	6.8	-4.9	0	0	0	113	T764	T764-P766 WeakPolarHBondContact O-CD 3.49Å; T764-P766 VanDerWaalsContact O-N 3.13Å
767	Y	31.4	Very low	33.5	Very low	201 Å²	201	121.3 Å²	121.3	79%	0.788	65%	0.645	S	S	*	*	T	Hydrogen-bonded Turn	trans	-116	7.3	-174.8	-68	-78	0	0	0	115.8	N765	N765-Y767 PolarHBondContact O-N 3.28Å
768	K	25.5	Very low	32.2	Very low	163 Å²	163	128.6 Å²	128.6	71%	0.709	67%	0.666	S	S	*	*			trans	-108.3	79.9	169.2	-73.8	-169.7	178.3	-176.5	0	110.4	N765 D770	N765-K768 HydrophobicContact CB-CB 4.32Å; N765-K768 PolarHBondContact O-N 2.83Å; K768-D770 PolarHBondContact O-N 3.27Å
769	L	31	Very low	31.1	Very low	168 Å²	168	133.7 Å²	133.7	88%	0.88	70%	0.697	S	S	*	*			trans	-53.1	127.8	146.2	-76.5	150.4	0	0	0	106.8
770	D	29	Very low	30.2	Very low	126 Å²	126	140 Å²	140	67%	0.674	72%	0.719	S	S	*	*			trans	-48.8	125.5	-179.8	-126.1	-23.8	0	0	0	110.1	K768 T772	K768-D770 PolarHBondContact O-N 3.27Å; D770-T772 PolarHBondContact O-N 2.78Å
771	P	39.6	Very low	29.7	Very low	126 Å²	126	137 Å²	137	82%	0.818	71%	0.708	S	S	*	*	S	Bend	trans	-67.2	-12.8	178.3	16.6	-19.5	0	0	0	112.7	G773	P771-G773 PolarHBondContact O-N 2.8Å
772	T	35.5	Very low	29.4	Very low	85 Å²	85	135 Å²	135	52%	0.521	71%	0.708	S	S	.	*	S	Bend	trans	-84.1	107.3	165.3	52.2	0	0	0	0	107.8	D770 E774	D770-T772 PolarHBondContact O-N 2.78Å; T772-E774 PolarHBondContact O-N 2.82Å
773	G	31.8	Very low	29.3	Very low	83 Å²	83	140.2 Å²	140.2	86%	0.856	73%	0.732	S	S	*	*			trans	-63	40.7	-179.8	0	0	0	0	0	115.8	P771 K775	P771-G773 PolarHBondContact O-N 2.8Å; G773-K775 PolarHBondContact O-N 2.81Å
774	E	27	Very low	29.9	Very low	172 Å²	172	140.9 Å²	140.9	80%	0.804	73%	0.728	S	S	*	*			trans	-74.8	112.5	167.3	-67.6	-162.7	163.4	0	0	108.8	T772	T772-E774 PolarHBondContact O-N 2.82Å
775	K	25.3	Very low	30.5	Very low	181 Å²	181	143.2 Å²	143.2	79%	0.787	73%	0.728	S	S	*	*			trans	-42.8	137	176.2	-67.9	170.8	178.9	172.9	0	110.1	G773 M777	G773-K775 PolarHBondContact O-N 2.81Å; K775-M777 PolarHBondContact O-N 2.78Å
776	P	27	Very low	31.8	Very low	112 Å²	112	141.3 Å²	141.3	73%	0.727	72%	0.72	S	S	*	*			trans	-50.5	118.8	-177.9	20.3	-31.9	0	0	0	108.8	F778	P776-F778 PolarHBondContact O-N 3.26Å
777	M	22.7	Very low	32.9	Very low	173 Å²	173	146 Å²	146	85%	0.852	73%	0.731	S	S	*	*			trans	-46.9	108.5	175.4	-176.4	-175.1	-68.6	0	0	106.7	K775 V779	K775-M777 PolarHBondContact O-N 2.78Å; M777-V779 PolarHBondContact O-N 3.28Å
778	F	24	Very low	34.8	Very low	189 Å²	189	138.7 Å²	138.7	83%	0.829	70%	0.702	S	S	*	*			trans	-61	92.5	173.9	-77.2	-90.6	0	0	0	106.2	P776 K780	P776-F778 PolarHBondContact O-N 3.26Å; F778-K780 PolarHBondContact O-N 3.01Å
779	V	26.4	Very low	37.3	Very low	112 Å²	112	134.2 Å²	134.2	68%	0.679	69%	0.688	S	S	*	*			trans	-52	114.7	165.9	175.9	0	0	0	0	104.2	M777 L781	M777-V779 PolarHBondContact O-N 3.28Å; V779-L781 PolarHBondContact O-N 2.94Å
780	K	22.3	Very low	39.8	Very low	199 Å²	199	126.4 Å²	126.4	87%	0.865	65%	0.647	S	S	*	*			trans	-55.2	96.5	171.9	-83.1	177.7	175.1	173.4	0	106.5	F778 E782	F778-K780 PolarHBondContact O-N 3.01Å; K780-E782 VanDerWaalsContact C-N 3.32Å; K780-E782 PolarHBondContact O-N 2.91Å
781	L	27.4	Very low	42.6	Very low	109 Å²	109	120.9 Å²	120.9	57%	0.571	62%	0.617	S	S	*	*			trans	-65.9	95.9	174.7	-107.9	100.3	0	0	0	106.7	V779 K783	V779-L781 PolarHBondContact O-N 2.94Å; L781-K783 PolarHBondContact O-N 3.1Å
782	E	28.1	Very low	45.1	Very low	161 Å²	161	114.9 Å²	114.9	75%	0.752	58%	0.578	S	S	*	*			trans	-60.2	102.6	146.5	-70.9	-164.1	162.1	0	0	105.7	K780 N784 Y785	K780-E782 VanDerWaalsContact C-N 3.32Å; K780-E782 PolarHBondContact O-N 2.91Å; E782-N784 PolarHBondContact O-N 3.23Å; E782-Y785 PolarHBondContact O-N 2.85Å
783	K	35.2	Very low	47.7	Very low	187 Å²	187	110.8 Å²	110.8	81%	0.813	55%	0.553	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.1	12.4	-163.4	-81.1	-176.2	172.8	-179.3	0	117.8	L781	L781-K783 PolarHBondContact O-N 3.1Å
784	N	39.2	Very low	50.7	Low	136 Å²	136	106.9 Å²	106.9	73%	0.727	51%	0.512	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.1	-6.3	179.6	-72.3	-0.9	0	0	0	114.9	E782	E782-N784 PolarHBondContact O-N 3.23Å
785	Y	45.6	Very low	53.7	Low	141 Å²	141	99.5 Å²	99.5	55%	0.553	48%	0.48	S	S	*	.			trans	-126.8	97.9	179.3	-63.1	-78.8	0	0	0	110.4	N706 E782 K787	N706-Y785 WeakPolarHBondContact ND2-CE1 3.49Å; N706-Y785 PolarHBondContact ND2-OH 3.08Å; E782-Y785 PolarHBondContact O-N 2.85Å; Y785-K787 PolarHBondContact O-N 3.32Å
786	V	55.4	Low	56.6	Low	53 Å²	53	90.9 Å²	90.9	32%	0.321	44%	0.443	S	S	.	.			trans	-82.4	103.3	165.5	-163.5	0	0	0	0	106.6	R788 A1137	V786-R788 PolarHBondContact O-N 3.23Å; V786-R788 VanDerWaalsContact O-N 3.16Å; V786-A1137 HydrophobicContact CB-CB 4.37Å; V786-A1137 HydrophobicContact CG1-CB 3.63Å
787	K	61.5	Low	59.4	Low	188 Å²	188	90 Å²	90	82%	0.817	44%	0.435	S	S	*	.			trans	-64.8	114.9	176.7	-169.7	175.8	-178.7	-177.8	0	107.9	Y785	Y785-K787 PolarHBondContact O-N 3.32Å
788	R	71.7	Confident	62.5	Low	49 Å²	49	82.6 Å²	82.6	19%	0.185	40%	0.4	C	S	.	.			trans	-67.1	139.3	177.1	-67.2	179.8	173.8	-177	-8.1	109.5	L734 V786 E791 C815 N818 A1137	L734-R788 HydrophobicContact CD1-CB 4.3Å; V786-R788 PolarHBondContact O-N 3.23Å; V786-R788 VanDerWaalsContact O-N 3.16Å; R788-E791 IonicContact NH1-OE1 3.3Å; R788-E791 IonicContact NH1-OE2 2.76Å; R788-C815 PolarHBondContact NH2-O 3.06Å; R788-N818 PolarHBondContact NH1-ND2 2.63Å; R788-N818 PolarHBondContact NH1-OD1 2.77Å; R788-A1137 HydrophobicContact CG-CB 4.39Å
789	T	78.3	Confident	65.6	Low	68 Å²	68	74.7 Å²	74.7	42%	0.417	37%	0.366	S	S	.	.			trans	-104.5	-15.6	179.3	49.6	0	0	0	0	112.9	P735 A1137	P735-T789 WeakPolarHBondContact CD-O 3.38Å; T789-A1137 PolarHBondContact N-O 2.69Å; T789-A1137 PolarHBondContact OG1-O 3.01Å
790	Y	83.4	Confident	68.4	Low	5 Å²	5	70.6 Å²	70.6	2%	0.02	35%	0.347	C	S	.	.			trans	-154.6	164.1	180	64.8	-87.1	0	0	0	110.4	P735 Y737 L792 M816 V1136 I1140 W1142	P735-Y790 WeakPolarHBondContact O-CA 3.25Å; Y737-Y790 HydrophobicContact CD2-CD2 4.31Å; Y737-Y790 HydrophobicContact CE2-CG 4.48Å; Y790-L792 HydrophobicContact CD2-CD2 3.88Å; Y790-L792 HydrophobicContact CD2-CG 3.98Å; Y790-L792 HydrophobicContact CE2-CD1 3.95Å; Y790-L792 HydrophobicContact CE2-CD2 3.79Å; Y790-L792 HydrophobicContact CE2-CG 3.67Å; Y790-M816 HydrophobicContact CD2-CE 4.38Å; Y790-M816 HydrophobicContact CE1-CE 4.14Å; Y790-M816 HydrophobicContact CE2-CE 3.75Å; Y790-V1136 PolarHBondContact OH-O 3.42Å; Y790-V1136 VanDerWaalsContact OH-O 3.07Å; Y790-I1140 HydrophobicContact CD1-CB 4.09Å; Y790-I1140 HydrophobicContact CD1-CD1 4.37Å; Y790-I1140 HydrophobicContact CD1-CG1 4.41Å; Y790-I1140 HydrophobicContact CD2-CD1 3.61Å; Y790-I1140 HydrophobicContact CD2-CG1 4.11Å; Y790-I1140 HydrophobicContact CE1-CB 3.77Å; Y790-I1140 HydrophobicContact CE1-CD1 4.48Å; Y790-I1140 HydrophobicContact CE1-CG1 4.07Å; Y790-I1140 HydrophobicContact CE2-CB 4.34Å; Y790-I1140 HydrophobicContact CE2-CD1 3.7Å; Y790-I1140 HydrophobicContact CE2-CG1 3.7Å; Y790-I1140 HydrophobicContact CG-CD1 3.97Å; Y790-I1140 HydrophobicContact CG-CG1 4.44Å; Y790-W1142 PolarHBondContact OH-NE1 2.94Å
791	E	87.8	Confident	71.3	Confident	9 Å²	9	63 Å²	63	4%	0.042	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	152.4	175.5	-70.7	-68.7	167.6	0	0	110.6	V730 L734 P735 L736 Y737 R788 N818	V730-E791 HydrophobicContact CG1-CB 4.28Å; V730-E791 HydrophobicContact CG1-CG 4.29Å; L734-E791 HydrophobicContact CB-CG 4.23Å; L734-E791 HydrophobicContact CD1-CG 4.19Å; P735-E791 PolarHBondContact O-N 2.93Å; L736-E791 WeakPolarHBondContact CA-O 3.49Å; L736-E791 HydrophobicContact CD1-CB 3.72Å; Y737-E791 PolarHBondContact N-O 2.82Å; R788-E791 IonicContact NH1-OE1 3.3Å; R788-E791 IonicContact NH1-OE2 2.76Å; E791-N818 PolarHBondContact OE1-ND2 2.63Å; E791-N818 PolarHBondContact OE2-ND2 3.21Å
792	L	91	Very high	74.1	Confident	0 Å²	0	57.8 Å²	57.8	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	142.7	178.2	-64	-178.7	0	0	0	112.2	Y737 V739 L752 Y790 L813 M816 C817 N818 I1140 W1142	Y737-L792 WeakPolarHBondContact O-CA 3.46Å; V739-L792 HydrophobicContact CG2-CD1 4.36Å; V739-L792 HydrophobicContact CG2-CD2 4.35Å; L752-L792 HydrophobicContact CD2-CD2 3.83Å; Y790-L792 HydrophobicContact CD2-CD2 3.88Å; Y790-L792 HydrophobicContact CD2-CG 3.98Å; Y790-L792 HydrophobicContact CE2-CD1 3.95Å; Y790-L792 HydrophobicContact CE2-CD2 3.79Å; Y790-L792 HydrophobicContact CE2-CG 3.67Å; L792-L813 HydrophobicContact CD1-CD2 4.29Å; L792-M816 HydrophobicContact CD1-CB 3.95Å; L792-C817 HydrophobicContact CB-CB 4.21Å; L792-C817 WeakPolarHBondContact CB-SG 2.8Å; L792-C817 VanDerWaalsContact O-CA 3.31Å; L792-C817 WeakPolarHBondContact O-CA 3.47Å; L792-N818 PolarHBondContact O-N 2.84Å; L792-N818 VanDerWaalsContact O-N 3.13Å; L792-I1140 HydrophobicContact CD2-CD1 4.36Å; L792-W1142 HydrophobicContact CD1-CZ2 4.35Å
793	A	91.6	Very high	76.8	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	142.8	168.8	0	0	0	0	0	110.3	I717 V721 L736 Y737 F738 V739 V819	I717-A793 HydrophobicContact CD1-CB 4.08Å; I717-A793 HydrophobicContact CG1-CB 4.16Å; V721-A793 HydrophobicContact CG2-CB 3.62Å; L736-A793 HydrophobicContact CD1-CB 4.34Å; Y737-A793 PolarHBondContact O-N 3.43Å; F738-A793 WeakPolarHBondContact CA-O 3.48Å; F738-A793 HydrophobicContact CD1-CB 3.91Å; F738-A793 HydrophobicContact CE1-CB 4.11Å; V739-A793 PolarHBondContact N-O 2.57Å; A793-V819 WeakPolarHBondContact CA-O 3.44Å; A793-V819 HydrophobicContact CB-CB 3.99Å
794	I	93.5	Very high	79	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	150.2	-175.9	-168.7	167.4	0	0	0	111.2	V739 V798 I799 I802 L813 C817 V819 F820 A821	V739-I794 HydrophobicContact CB-CB 4.31Å; V739-I794 HydrophobicContact CB-CD1 3.98Å; V739-I794 HydrophobicContact CB-CG1 4.04Å; V739-I794 HydrophobicContact CG1-CD1 3.96Å; V739-I794 HydrophobicContact CG1-CG1 4.47Å; I794-V798 HydrophobicContact CD1-CG1 3.98Å; I794-V798 HydrophobicContact CG1-CB 4.12Å; I794-V798 HydrophobicContact CG1-CG1 3.98Å; I794-I799 HydrophobicContact CD1-CD1 4.36Å; I794-I799 HydrophobicContact CD1-CG1 3.57Å; I794-I799 HydrophobicContact CG1-CD1 4.36Å; I794-I799 HydrophobicContact CG1-CG1 3.87Å; I794-I799 HydrophobicContact CG2-CD1 3.75Å; I794-I799 HydrophobicContact CG2-CG1 4.15Å; I794-I802 HydrophobicContact CD1-CD1 3.98Å; I794-L813 HydrophobicContact CD1-CD1 4.29Å; I794-C817 HydrophobicContact CG2-CB 4Å; I794-V819 PolarHBondContact N-O 3.1Å; I794-F820 HydrophobicContact CG2-CD1 3.59Å; I794-F820 HydrophobicContact CG2-CE1 3.69Å; I794-F820 HydrophobicContact CG2-CG 4.37Å; I794-F820 WeakPolarHBondContact O-CA 3.37Å; I794-A821 PolarHBondContact O-N 3.02Å
795	S	90.4	Very high	81	Confident	18 Å²	18	44.6 Å²	44.6	13%	0.126	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	153.8	175.2	66.2	0	0	0	0	112.5	T797 V798 I799 A821	S795-T797 VanDerWaalsContact C-N 3.28Å; S795-T797 PolarHBondContact O-N 3.47Å; S795-T797 PolarHBondContact OG-OG1 2.65Å; S795-V798 PolarHBondContact O-N 3.18Å; S795-V798 WeakPolarHBondContact OG-CG2 3.32Å; S795-I799 PolarHBondContact O-N 2.89Å; S795-A821 CarbonylContact C-O 3.58Å; S795-A821 VanDerWaalsContact CA-O 3.24Å; S795-A821 WeakPolarHBondContact CA-O 3.33Å
796	G	86.8	Confident	82.8	Confident	0 Å²	0	38 Å²	38	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-61.4	-33.4	179.6	0	0	0	0	0	113.7	I799 G800 A821 M823 Q827	G796-I799 PolarHBondContact O-N 2.97Å; G796-G800 PolarHBondContact O-N 3.15Å; G796-A821 PolarHBondContact N-O 2.76Å; G796-M823 WeakPolarHBondContact CA-SD 3.44Å; G796-Q827 PolarHBondContact O-NE2 3.48Å
797	T	84.7	Confident	84.1	Confident	92 Å²	92	39.2 Å²	39.2	56%	0.564	21%	0.212	S	C	*	.	H	α-helix	trans	-64.3	-44.4	175	52	0	0	0	0	111.6	S795 G800 T801	S795-T797 VanDerWaalsContact C-N 3.28Å; S795-T797 PolarHBondContact O-N 3.47Å; S795-T797 PolarHBondContact OG-OG1 2.65Å; T797-G800 PolarHBondContact O-N 2.82Å; T797-T801 PolarHBondContact O-N 2.95Å; T797-T801 VanDerWaalsContact O-N 3.11Å; T797-T801 PolarHBondContact O-OG1 3.32Å
798	V	88.2	Confident	85.2	Confident	19 Å²	19	35.6 Å²	35.6	12%	0.115	20%	0.198	C	C	.	.	H	α-helix	trans	-65.5	-39.8	177.5	175	0	0	0	0	110.8	V739 C741 I794 S795 G800 T801 I802	V739-V798 HydrophobicContact CG1-CG1 4.26Å; C741-V798 HydrophobicContact CB-CG1 4.49Å; I794-V798 HydrophobicContact CD1-CG1 3.98Å; I794-V798 HydrophobicContact CG1-CB 4.12Å; I794-V798 HydrophobicContact CG1-CG1 3.98Å; S795-V798 PolarHBondContact O-N 3.18Å; S795-V798 WeakPolarHBondContact OG-CG2 3.32Å; V798-G800 VanDerWaalsContact C-N 3.3Å; V798-G800 PolarHBondContact O-N 2.75Å; V798-T801 PolarHBondContact O-N 2.75Å; V798-I802 HydrophobicContact CG1-CD1 3.74Å; V798-I802 HydrophobicContact CG1-CG1 4.21Å; V798-I802 VanDerWaalsContact O-CG1 3.28Å; V798-I802 WeakPolarHBondContact O-CG1 3.39Å; V798-I802 PolarHBondContact O-N 3.32Å
799	I	89.4	Confident	85.9	Confident	22 Å²	22	33.5 Å²	33.5	11%	0.113	19%	0.19	C	C	.	.	H	α-helix	trans	-59.8	-42.3	173.9	-71.7	169.9	0	0	0	111.5	I794 S795 G796 I802 A803 I810 F820 M823	I794-I799 HydrophobicContact CD1-CD1 4.36Å; I794-I799 HydrophobicContact CD1-CG1 3.57Å; I794-I799 HydrophobicContact CG1-CD1 4.36Å; I794-I799 HydrophobicContact CG1-CG1 3.87Å; I794-I799 HydrophobicContact CG2-CD1 3.75Å; I794-I799 HydrophobicContact CG2-CG1 4.15Å; S795-I799 PolarHBondContact O-N 2.89Å; G796-I799 PolarHBondContact O-N 2.97Å; I799-I802 PolarHBondContact O-N 2.84Å; I799-A803 WeakPolarHBondContact O-CB 3.4Å; I799-A803 PolarHBondContact O-N 3.43Å; I799-I810 HydrophobicContact CG2-CD1 4.3Å; I799-F820 HydrophobicContact CD1-CD1 3.4Å; I799-F820 HydrophobicContact CD1-CE1 3.69Å; I799-M823 HydrophobicContact CD1-CE 4.48Å; I799-M823 HydrophobicContact CD1-SD 4.14Å
800	G	84.5	Confident	86.4	Confident	27 Å²	27	31.1 Å²	31.1	28%	0.278	17%	0.174	S	C	.	.	H	α-helix	trans	-57	-49.3	175.6	0	0	0	0	0	111.8	G796 T797 V798 A803 E804	G796-G800 PolarHBondContact O-N 3.15Å; T797-G800 PolarHBondContact O-N 2.82Å; V798-G800 VanDerWaalsContact C-N 3.3Å; V798-G800 PolarHBondContact O-N 2.75Å; G800-A803 PolarHBondContact O-N 3.27Å; G800-E804 PolarHBondContact O-N 3.37Å
801	T	83.8	Confident	86.7	Confident	39 Å²	39	32.7 Å²	32.7	24%	0.239	19%	0.185	C	C	.	.	H	α-helix	trans	-61.9	-45.5	176.4	-51.6	0	0	0	0	111.8	C741 T797 V798 A803 E804 Y805	C741-T801 HydrophobicContact CB-CG2 4.18Å; T797-T801 PolarHBondContact O-N 2.95Å; T797-T801 VanDerWaalsContact O-N 3.11Å; T797-T801 PolarHBondContact O-OG1 3.32Å; V798-T801 PolarHBondContact O-N 2.75Å; T801-A803 VanDerWaalsContact C-N 3.3Å; T801-A803 PolarHBondContact O-N 3.01Å; T801-E804 WeakPolarHBondContact O-CB 3.18Å; T801-E804 PolarHBondContact O-N 2.7Å; T801-E804 VanDerWaalsContact O-N 3.14Å; T801-Y805 HydrophobicContact CG2-CD2 3.73Å; T801-Y805 HydrophobicContact CG2-CE2 4.05Å; T801-Y805 WeakPolarHBondContact O-CD2 3.5Å; T801-Y805 PolarHBondContact O-N 3.11Å
802	I	85.9	Confident	86.7	Confident	0 Å²	0	34.5 Å²	34.5	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-64.7	-37	178.9	-67.4	176.1	0	0	0	111	V739 C741 V750 I794 V798 I799 E804 F806 L809 I810 L813	V739-I802 HydrophobicContact CG1-CD1 4Å; C741-I802 VanDerWaalsContact SG-CG1 3.54Å; V750-I802 HydrophobicContact CG1-CD1 4.46Å; I794-I802 HydrophobicContact CD1-CD1 3.98Å; V798-I802 HydrophobicContact CG1-CD1 3.74Å; V798-I802 HydrophobicContact CG1-CG1 4.21Å; V798-I802 VanDerWaalsContact O-CG1 3.28Å; V798-I802 WeakPolarHBondContact O-CG1 3.39Å; V798-I802 PolarHBondContact O-N 3.32Å; I799-I802 PolarHBondContact O-N 2.84Å; I802-E804 PolarHBondContact O-N 3.36Å; I802-F806 HydrophobicContact CG2-CB 4.09Å; I802-F806 CarbonylContact O-C 3.58Å; I802-F806 WeakPolarHBondContact O-CA 3.43Å; I802-F806 PolarHBondContact O-N 2.94Å; I802-L809 HydrophobicContact CG2-CB 4.05Å; I802-I810 HydrophobicContact CB-CD1 3.99Å; I802-I810 HydrophobicContact CG2-CD1 3.53Å; I802-I810 HydrophobicContact CG2-CG1 4.07Å; I802-L813 HydrophobicContact CD1-CD1 3.56Å; I802-L813 HydrophobicContact CG2-CD1 3.85Å
803	A	85.3	Confident	86.6	Confident	24 Å²	24	34.7 Å²	34.7	20%	0.198	19%	0.194	C	C	.	.	H	α-helix	trans	-64.8	-28.9	177.6	0	0	0	0	0	112.3	I799 G800 T801 I810	I799-A803 WeakPolarHBondContact O-CB 3.4Å; I799-A803 PolarHBondContact O-N 3.43Å; G800-A803 PolarHBondContact O-N 3.27Å; T801-A803 VanDerWaalsContact C-N 3.3Å; T801-A803 PolarHBondContact O-N 3.01Å; A803-I810 HydrophobicContact CB-CD1 4.09Å; A803-I810 HydrophobicContact CB-CG1 4.25Å
804	E	81.5	Confident	86.7	Confident	125 Å²	125	34.9 Å²	34.9	58%	0.584	20%	0.195	S	C	*	.	H	α-helix	trans	-80.7	-52.7	177.9	-173.8	175.8	-174.3	0	0	112.1	G800 T801 I802	G800-E804 PolarHBondContact O-N 3.37Å; T801-E804 WeakPolarHBondContact O-CB 3.18Å; T801-E804 PolarHBondContact O-N 2.7Å; T801-E804 VanDerWaalsContact O-N 3.14Å; I802-E804 PolarHBondContact O-N 3.36Å
805	Y	80	Confident	86.5	Confident	57 Å²	57	34.9 Å²	34.9	22%	0.224	20%	0.195	C	C	.	.	H	α-helix	trans	-91.7	-30.9	-173.2	-66.5	-87.7	0	0	0	113.8	M748 T801	M748-Y805 HydrophobicContact CB-CD1 4.42Å; M748-Y805 HydrophobicContact CB-CG 4.46Å; M748-Y805 HydrophobicContact CE-CE2 4.49Å; M748-Y805 HydrophobicContact CG-CD1 4.1Å; M748-Y805 HydrophobicContact CG-CD2 4.36Å; M748-Y805 HydrophobicContact CG-CE1 4.09Å; M748-Y805 HydrophobicContact CG-CE2 4.39Å; M748-Y805 HydrophobicContact CG-CG 4.24Å; T801-Y805 HydrophobicContact CG2-CD2 3.73Å; T801-Y805 HydrophobicContact CG2-CE2 4.05Å; T801-Y805 WeakPolarHBondContact O-CD2 3.5Å; T801-Y805 PolarHBondContact O-N 3.11Å
806	F	83.3	Confident	86.5	Confident	3 Å²	3	34 Å²	34	1%	0.013	19%	0.189	C	C	.	.			trans	-135	55.4	-172.2	-54.8	-74.1	0	0	0	113.3	M748 V750 I802 H808 L809 R1147 V1149	M748-F806 HydrophobicContact CB-CE2 4.13Å; M748-F806 HydrophobicContact CB-CZ 4.37Å; M748-F806 WeakPolarHBondContact O-CZ 3.44Å; V750-F806 HydrophobicContact CG2-CD2 3.73Å; V750-F806 HydrophobicContact CG2-CE2 3.77Å; V750-F806 HydrophobicContact CG2-CG 4.41Å; V750-F806 HydrophobicContact CG2-CZ 4.48Å; I802-F806 HydrophobicContact CG2-CB 4.09Å; I802-F806 CarbonylContact O-C 3.58Å; I802-F806 WeakPolarHBondContact O-CA 3.43Å; I802-F806 PolarHBondContact O-N 2.94Å; F806-H808 PolarHBondContact O-N 3.28Å; F806-L809 HydrophobicContact CB-CB 4.41Å; F806-L809 HydrophobicContact CB-CD1 3.77Å; F806-L809 HydrophobicContact CB-CG 4.06Å; F806-L809 HydrophobicContact CG-CD1 4.19Å; F806-L809 WeakPolarHBondContact O-CB 3.21Å; F806-L809 PolarHBondContact O-N 2.96Å; F806-R1147 WeakPolarHBondContact CE1-O 3.33Å; F806-V1149 HydrophobicContact CE1-CG2 3.98Å; F806-V1149 HydrophobicContact CZ-CG2 4.45Å
807	P	83	Confident	86.8	Confident	79 Å²	79	34 Å²	34	51%	0.513	19%	0.189	S	C	.	.	G	3₁₀ helix	trans	-58.2	-26.9	-173.8	22	-34.1	0	0	0	113.8	L809 I810 P811	P807-L809 VanDerWaalsContact C-N 3.25Å; P807-L809 PolarHBondContact O-N 3.31Å; P807-I810 PolarHBondContact O-N 2.68Å; P807-P811 WeakPolarHBondContact O-CD 3.48Å
808	H	84.4	Confident	87.2	Confident	112 Å²	112	29.9 Å²	29.9	52%	0.519	16%	0.164	S	C	.	.	G	3₁₀ helix	trans	-68.6	-17.1	177.1	68.1	-83	0	0	0	114.4	F806	F806-H808 PolarHBondContact O-N 3.28Å
809	L	86.4	Confident	87.6	Confident	4 Å²	4	29 Å²	29	2%	0.021	16%	0.158	C	C	.	.	G	3₁₀ helix	trans	-85.7	-23	176.3	-64.2	-178.9	0	0	0	112.7	V750 I802 F806 P807 K812 L813 W1142	V750-L809 HydrophobicContact CG2-CD1 4.23Å; I802-L809 HydrophobicContact CG2-CB 4.05Å; F806-L809 HydrophobicContact CB-CB 4.41Å; F806-L809 HydrophobicContact CB-CD1 3.77Å; F806-L809 HydrophobicContact CB-CG 4.06Å; F806-L809 HydrophobicContact CG-CD1 4.19Å; F806-L809 WeakPolarHBondContact O-CB 3.21Å; F806-L809 PolarHBondContact O-N 2.96Å; P807-L809 VanDerWaalsContact C-N 3.25Å; P807-L809 PolarHBondContact O-N 3.31Å; L809-K812 WeakPolarHBondContact O-CB 3.29Å; L809-K812 PolarHBondContact O-N 3.14Å; L809-K812 VanDerWaalsContact O-N 3.1Å; L809-L813 HydrophobicContact CB-CD1 4.1Å; L809-L813 WeakPolarHBondContact O-CG 3.24Å; L809-L813 PolarHBondContact O-N 3.33Å; L809-W1142 HydrophobicContact CD2-CE3 4.23Å; L809-W1142 HydrophobicContact CD2-CZ3 4.18Å
810	I	89.2	Confident	87.9	Confident	18 Å²	18	28 Å²	28	9%	0.092	15%	0.153	C	C	.	.	H	α-helix	trans	-54.6	-49.5	-177.2	-64.1	-65.6	0	0	0	112.4	I799 I802 A803 P807 K812 L813 V814 I834	I799-I810 HydrophobicContact CG2-CD1 4.3Å; I802-I810 HydrophobicContact CB-CD1 3.99Å; I802-I810 HydrophobicContact CG2-CD1 3.53Å; I802-I810 HydrophobicContact CG2-CG1 4.07Å; A803-I810 HydrophobicContact CB-CD1 4.09Å; A803-I810 HydrophobicContact CB-CG1 4.25Å; P807-I810 PolarHBondContact O-N 2.68Å; I810-K812 VanDerWaalsContact C-N 3.27Å; I810-K812 PolarHBondContact O-N 3.24Å; I810-L813 PolarHBondContact O-N 2.93Å; I810-V814 HydrophobicContact CG2-CG2 4.2Å; I810-V814 WeakPolarHBondContact O-CB 3.28Å; I810-V814 WeakPolarHBondContact O-CG2 3.4Å; I810-V814 PolarHBondContact O-N 3.37Å; I810-I834 HydrophobicContact CG2-CD1 3.67Å; I810-I834 HydrophobicContact CG2-CG1 4.47Å; I810-I834 HydrophobicContact CG2-CG2 4.21Å
811	P	89.2	Confident	88.2	Confident	39 Å²	39	26.8 Å²	26.8	25%	0.253	14%	0.14	S	C	.	.	H	α-helix	trans	-54.4	-40.8	176.5	-30.6	38.8	0	0	0	114	P807 C815 M838 E1132	P807-P811 WeakPolarHBondContact O-CD 3.48Å; P811-C815 PolarHBondContact O-N 2.88Å; P811-C815 PolarHBondContact O-SG 2.96Å; P811-M838 HydrophobicContact CB-CE 3.86Å; P811-M838 HydrophobicContact CB-SD 3.68Å; P811-M838 HydrophobicContact CG-SD 4.43Å; P811-E1132 HydrophobicContact CB-CG 4.49Å
812	K	88.2	Confident	88.3	Confident	46 Å²	46	29.6 Å²	29.6	20%	0.2	15%	0.147	C	C	.	.	H	α-helix	trans	-71.9	-46.7	-177.9	-66	177	-176.7	-179.7	0	111.6	L809 I810 C815 M816 E1132 V1136 W1142	L809-K812 WeakPolarHBondContact O-CB 3.29Å; L809-K812 PolarHBondContact O-N 3.14Å; L809-K812 VanDerWaalsContact O-N 3.1Å; I810-K812 VanDerWaalsContact C-N 3.27Å; I810-K812 PolarHBondContact O-N 3.24Å; K812-C815 PolarHBondContact O-N 3.24Å; K812-M816 PolarHBondContact O-N 3.49Å; K812-M816 VanDerWaalsContact O-N 3.11Å; K812-E1132 WeakPolarHBondContact CE-OE2 3.1Å; K812-E1132 VanDerWaalsContact CG-OE2 3.22Å; K812-E1132 WeakPolarHBondContact CG-OE2 3.25Å; K812-V1136 HydrophobicContact CB-CG1 4.13Å; K812-V1136 HydrophobicContact CD-CG1 3.87Å; K812-V1136 HydrophobicContact CG-CG1 3.95Å; K812-W1142 HydrophobicContact CB-CE3 4.04Å; K812-W1142 HydrophobicContact CB-CH2 3.52Å; K812-W1142 HydrophobicContact CB-CZ2 4.35Å; K812-W1142 HydrophobicContact CB-CZ3 3.35Å; K812-W1142 HydrophobicContact CD-CD2 4.26Å; K812-W1142 HydrophobicContact CD-CE3 3.52Å; K812-W1142 HydrophobicContact CD-CZ3 3.69Å; K812-W1142 HydrophobicContact CG-CE3 4.41Å; K812-W1142 HydrophobicContact CG-CZ3 4.17Å
813	L	90.4	Very high	88.4	Confident	4 Å²	4	30.1 Å²	30.1	2%	0.021	15%	0.149	C	C	.	.	H	α-helix	trans	-61.9	-44.9	178	-73.3	166.4	0	0	0	111.2	V739 L792 I794 I802 L809 I810 C815 M816 C817 W1142 L1143	V739-L813 HydrophobicContact CG1-CD2 4.39Å; V739-L813 HydrophobicContact CG2-CD2 4Å; L792-L813 HydrophobicContact CD1-CD2 4.29Å; I794-L813 HydrophobicContact CD1-CD1 4.29Å; I802-L813 HydrophobicContact CD1-CD1 3.56Å; I802-L813 HydrophobicContact CG2-CD1 3.85Å; L809-L813 HydrophobicContact CB-CD1 4.1Å; L809-L813 WeakPolarHBondContact O-CG 3.24Å; L809-L813 PolarHBondContact O-N 3.33Å; I810-L813 PolarHBondContact O-N 2.93Å; L813-C815 VanDerWaalsContact C-N 3.26Å; L813-C815 PolarHBondContact O-N 3.32Å; L813-M816 PolarHBondContact O-N 2.88Å; L813-M816 VanDerWaalsContact O-N 3.1Å; L813-C817 WeakPolarHBondContact O-CB 3.27Å; L813-C817 PolarHBondContact O-N 3.35Å; L813-C817 PolarHBondContact O-SG 2.81Å; L813-C817 VanDerWaalsContact O-SG 3.34Å; L813-W1142 HydrophobicContact CD2-CH2 3.99Å; L813-W1142 HydrophobicContact CG-CH2 4.13Å; L813-W1142 HydrophobicContact CG-CZ3 4.47Å; L813-L1143 HydrophobicContact CD2-CD1 4.03Å
814	V	92.2	Very high	88.1	Confident	5 Å²	5	31 Å²	31	3%	0.03	15%	0.153	C	C	.	.	H	α-helix	trans	-62.4	-32.8	178.1	170.6	0	0	0	0	112.3	R708 I810 L831 I834 L835	R708-V814 PolarHBondContact NH1-O 3.35Å; R708-V814 PolarHBondContact NH2-O 2.96Å; I810-V814 HydrophobicContact CG2-CG2 4.2Å; I810-V814 WeakPolarHBondContact O-CB 3.28Å; I810-V814 WeakPolarHBondContact O-CG2 3.4Å; I810-V814 PolarHBondContact O-N 3.37Å; V814-L831 HydrophobicContact CB-CD1 4.49Å; V814-L831 HydrophobicContact CG1-CD1 3.95Å; V814-L831 HydrophobicContact CG2-CD1 3.86Å; V814-I834 HydrophobicContact CB-CG2 4.11Å; V814-I834 HydrophobicContact CG1-CB 4.46Å; V814-I834 HydrophobicContact CG1-CG2 3.99Å; V814-I834 HydrophobicContact CG2-CB 4.43Å; V814-I834 HydrophobicContact CG2-CD1 4.31Å; V814-I834 HydrophobicContact CG2-CG2 3.89Å; V814-L835 HydrophobicContact CG1-CD2 3.38Å; V814-L835 HydrophobicContact CG1-CG 3.6Å
815	C	90.5	Very high	88	Confident	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-75.5	-27.5	175.3	-66.7	0	0	0	0	113.9	R708 R788 P811 K812 L813 L1133	R708-C815 VanDerWaalsContact CZ-O 3.28Å; R708-C815 PolarHBondContact NH1-O 2.78Å; R708-C815 PolarHBondContact NH2-O 2.93Å; R788-C815 PolarHBondContact NH2-O 3.06Å; P811-C815 PolarHBondContact O-N 2.88Å; P811-C815 PolarHBondContact O-SG 2.96Å; K812-C815 PolarHBondContact O-N 3.24Å; L813-C815 VanDerWaalsContact C-N 3.26Å; L813-C815 PolarHBondContact O-N 3.32Å; C815-L1133 HydrophobicContact CB-CD2 4.18Å; C815-L1133 HydrophobicContact CB-CG 4.28Å
816	M	89.3	Confident	87.8	Confident	0 Å²	0	29.5 Å²	29.5	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-99.3	-40.8	-174.8	-74.6	-58.7	-69	0	0	114.9	Y790 L792 K812 L813 N818 L1133 V1136 A1137 W1142	Y790-M816 HydrophobicContact CD2-CE 4.38Å; Y790-M816 HydrophobicContact CE1-CE 4.14Å; Y790-M816 HydrophobicContact CE2-CE 3.75Å; L792-M816 HydrophobicContact CD1-CB 3.95Å; K812-M816 PolarHBondContact O-N 3.49Å; K812-M816 VanDerWaalsContact O-N 3.11Å; L813-M816 PolarHBondContact O-N 2.88Å; L813-M816 VanDerWaalsContact O-N 3.1Å; M816-N818 PolarHBondContact O-N 3.22Å; M816-L1133 HydrophobicContact CG-CD2 4.47Å; M816-L1133 HydrophobicContact SD-CD2 3.53Å; M816-L1133 VanDerWaalsContact SD-CD2 3.53Å; M816-V1136 HydrophobicContact CG-CB 4.22Å; M816-V1136 HydrophobicContact CG-CG2 3.3Å; M816-V1136 HydrophobicContact SD-CG2 3.61Å; M816-A1137 HydrophobicContact CE-CB 4.13Å; M816-A1137 HydrophobicContact SD-CB 3.9Å; M816-W1142 HydrophobicContact CG-CZ2 4.28Å
817	C	92.7	Very high	87.9	Confident	0 Å²	0	31.9 Å²	31.9	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	126.6	-175.9	-61.6	0	0	0	0	111.5	R708 L792 I794 L813 F820	R708-C817 PolarHBondContact NH2-O 3.49Å; L792-C817 HydrophobicContact CB-CB 4.21Å; L792-C817 WeakPolarHBondContact CB-SG 2.8Å; L792-C817 VanDerWaalsContact O-CA 3.31Å; L792-C817 WeakPolarHBondContact O-CA 3.47Å; I794-C817 HydrophobicContact CG2-CB 4Å; L813-C817 WeakPolarHBondContact O-CB 3.27Å; L813-C817 PolarHBondContact O-N 3.35Å; L813-C817 PolarHBondContact O-SG 2.81Å; L813-C817 VanDerWaalsContact O-SG 3.34Å; C817-F820 HydrophobicContact CB-CE1 4.12Å; C817-F820 HydrophobicContact CB-CE2 4.01Å; C817-F820 HydrophobicContact CB-CZ 3.62Å; C817-F820 WeakPolarHBondContact O-CE2 3.14Å
818	N	94.2	Very high	88.2	Confident	5 Å²	5	28.6 Å²	28.6	3%	0.027	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	-11.6	175.1	-68.3	-19.1	0	0	0	112.8	R708 V710 M711 I729 R788 E791 L792 M816	R708-N818 PolarHBondContact NE-OD1 2.94Å; R708-N818 VanDerWaalsContact NE-OD1 3.1Å; V710-N818 CarbonylContact C-O 3.47Å; V710-N818 WeakPolarHBondContact CA-O 3.42Å; M711-N818 PolarHBondContact N-O 2.6Å; I729-N818 HydrophobicContact CG2-CB 4.14Å; R788-N818 PolarHBondContact NH1-ND2 2.63Å; R788-N818 PolarHBondContact NH1-OD1 2.77Å; E791-N818 PolarHBondContact OE1-ND2 2.63Å; E791-N818 PolarHBondContact OE2-ND2 3.21Å; L792-N818 PolarHBondContact O-N 2.84Å; L792-N818 VanDerWaalsContact O-N 3.13Å; M816-N818 PolarHBondContact O-N 3.22Å
819	V	95.5	Very high	88.3	Confident	0 Å²	0	24.8 Å²	24.8	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	120.5	178.6	-176.8	0	0	0	0	109.8	A720 V721 A724 V730 A793 I794	A720-V819 HydrophobicContact CB-CG1 3.74Å; V721-V819 HydrophobicContact CG2-CB 4.37Å; V721-V819 HydrophobicContact CG2-CG1 4.17Å; V721-V819 HydrophobicContact CG2-CG2 4.36Å; A724-V819 HydrophobicContact CB-CG2 3.6Å; V730-V819 HydrophobicContact CG2-CG2 3.67Å; A793-V819 WeakPolarHBondContact CA-O 3.44Å; A793-V819 HydrophobicContact CB-CB 3.99Å; I794-V819 PolarHBondContact N-O 3.1Å
820	F	96.1	Very high	88.2	Confident	2 Å²	2	29 Å²	29	1%	0.009	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	106.8	175.4	-65.2	-93.3	0	0	0	108.3	V710 M711 V712 T713 I794 I799 C817 M823 L831	V710-F820 HydrophobicContact CG1-CD2 3.46Å; V710-F820 VanDerWaalsContact CG1-CD2 3.46Å; V710-F820 HydrophobicContact CG1-CE2 3.52Å; M711-F820 PolarHBondContact O-N 2.81Å; V712-F820 CarbonylContact C-O 3.5Å; V712-F820 WeakPolarHBondContact CA-O 3.39Å; V712-F820 HydrophobicContact CG1-CB 4.17Å; V712-F820 HydrophobicContact CG2-CB 4.42Å; V712-F820 HydrophobicContact CG2-CD2 4.42Å; T713-F820 PolarHBondContact N-O 3.11Å; I794-F820 HydrophobicContact CG2-CD1 3.59Å; I794-F820 HydrophobicContact CG2-CE1 3.69Å; I794-F820 HydrophobicContact CG2-CG 4.37Å; I794-F820 WeakPolarHBondContact O-CA 3.37Å; I799-F820 HydrophobicContact CD1-CD1 3.4Å; I799-F820 HydrophobicContact CD1-CE1 3.69Å; C817-F820 HydrophobicContact CB-CE1 4.12Å; C817-F820 HydrophobicContact CB-CE2 4.01Å; C817-F820 HydrophobicContact CB-CZ 3.62Å; C817-F820 WeakPolarHBondContact O-CE2 3.14Å; F820-M823 HydrophobicContact CB-CG 3.91Å; F820-M823 HydrophobicContact CB-SD 4.26Å; F820-L831 HydrophobicContact CB-CD2 4.09Å; F820-L831 HydrophobicContact CD1-CD1 4.15Å; F820-L831 HydrophobicContact CD1-CD2 3.85Å; F820-L831 HydrophobicContact CD2-CD2 3.68Å; F820-L831 HydrophobicContact CE1-CD1 3.71Å; F820-L831 HydrophobicContact CE1-CD2 4.2Å; F820-L831 HydrophobicContact CE2-CD1 4.18Å; F820-L831 HydrophobicContact CE2-CD2 4.02Å; F820-L831 HydrophobicContact CG-CD2 3.59Å; F820-L831 HydrophobicContact CZ-CD1 3.73Å; F820-L831 HydrophobicContact CZ-CD2 4.28Å
821	A	90.6	Very high	88.4	Confident	0 Å²	0	28.3 Å²	28.3	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	163.8	-174.2	0	0	0	0	0	111.8	T713 D715 I717 A720 I794 S795 G796 M823	T713-A821 HydrophobicContact CG2-CB 4.48Å; T713-A821 CarbonylContact O-C 3.57Å; T713-A821 VanDerWaalsContact O-C 3.29Å; T713-A821 WeakPolarHBondContact O-CA 3.34Å; D715-A821 WeakPolarHBondContact O-CB 3.49Å; I717-A821 VanDerWaalsContact CA-CB 3.41Å; I717-A821 HydrophobicContact CB-CB 3.71Å; I717-A821 HydrophobicContact CG1-CB 3.9Å; A720-A821 HydrophobicContact CB-CB 4.19Å; I794-A821 PolarHBondContact O-N 3.02Å; S795-A821 CarbonylContact C-O 3.58Å; S795-A821 VanDerWaalsContact CA-O 3.24Å; S795-A821 WeakPolarHBondContact CA-O 3.33Å; G796-A821 PolarHBondContact N-O 2.76Å; A821-M823 PolarHBondContact O-N 3.04Å
822	R	86.7	Confident	88.5	Confident	99 Å²	99	26.6 Å²	26.6	37%	0.374	13%	0.131	S	C	.	.	S	Bend	trans	46.6	44.7	-174.7	-61.3	-160.5	-174.5	-171.9	6.5	113.7	T713 G714 D715	T713-R822 PolarHBondContact O-N 2.79Å; G714-R822 WeakPolarHBondContact O-CA 3.44Å; D715-R822 WeakPolarHBondContact O-CG 3.09Å; D715-R822 PolarHBondContact O-N 3.29Å
823	M	87.1	Confident	88.5	Confident	10 Å²	10	25.9 Å²	25.9	5%	0.049	13%	0.129	C	C	.	.			trans	-91.6	127	179	-64.8	-69.7	-76.9	0	0	110.8	V712 T713 G796 I799 F820 A821 Q827 K828 L831	V712-M823 HydrophobicContact CG1-CB 4.15Å; V712-M823 HydrophobicContact CG1-CE 4.42Å; V712-M823 HydrophobicContact CG1-CG 3.96Å; T713-M823 PolarHBondContact O-N 3.17Å; G796-M823 WeakPolarHBondContact CA-SD 3.44Å; I799-M823 HydrophobicContact CD1-CE 4.48Å; I799-M823 HydrophobicContact CD1-SD 4.14Å; F820-M823 HydrophobicContact CB-CG 3.91Å; F820-M823 HydrophobicContact CB-SD 4.26Å; A821-M823 PolarHBondContact O-N 3.04Å; M823-Q827 HydrophobicContact CE-CB 3.65Å; M823-Q827 WeakPolarHBondContact CE-O 3.24Å; M823-Q827 HydrophobicContact SD-CB 4.19Å; M823-K828 HydrophobicContact CB-CG 4.04Å; M823-L831 HydrophobicContact CE-CB 4.1Å; M823-L831 HydrophobicContact CE-CD2 4.19Å
824	S	80.5	Confident	88.5	Confident	42 Å²	42	26.3 Å²	26.3	29%	0.294	13%	0.131	S	C	.	.			trans	-71.9	158.4	167.1	52.7	0	0	0	0	112	E826 Q827 K828	S824-E826 VanDerWaalsContact C-N 3.25Å; S824-E826 PolarHBondContact O-N 2.88Å; S824-Q827 WeakPolarHBondContact O-CB 3.45Å; S824-Q827 PolarHBondContact O-N 2.85Å; S824-Q827 WeakPolarHBondContact OG-CB 3.43Å; S824-Q827 WeakPolarHBondContact OG-CG 3.38Å; S824-Q827 PolarHBondContact OG-OE1 3.05Å; S824-K828 WeakPolarHBondContact O-CG 3.33Å; S824-K828 PolarHBondContact O-N 3.24Å
825	P	77.8	Confident	88.6	Confident	44 Å²	44	26.1 Å²	26.1	29%	0.286	13%	0.13	S	C	.	.	H	α-helix	trans	-51.7	-39.8	177	-29.5	37.8	0	0	0	114.3	K828 T829 N850	P825-K828 WeakPolarHBondContact O-CB 3.48Å; P825-K828 PolarHBondContact O-N 3.12Å; P825-T829 PolarHBondContact O-N 3.39Å; P825-T829 VanDerWaalsContact O-N 3.12Å; P825-T829 PolarHBondContact O-OG1 3Å; P825-N850 WeakPolarHBondContact CB-O 3.27Å; P825-N850 HydrophobicContact CG-CB 4.08Å
826	E	76.4	Confident	88.6	Confident	107 Å²	107	27.7 Å²	27.7	50%	0.5	14%	0.137	S	C	.	.	H	α-helix	trans	-68.5	-42.1	177.9	-60	71.1	-152.1	0	0	110.6	S824 K828 T829 H830	S824-E826 VanDerWaalsContact C-N 3.25Å; S824-E826 PolarHBondContact O-N 2.88Å; E826-K828 VanDerWaalsContact C-N 3.34Å; E826-K828 PolarHBondContact O-N 2.82Å; E826-T829 WeakPolarHBondContact O-CB 3.4Å; E826-T829 PolarHBondContact O-N 2.87Å; E826-H830 WeakPolarHBondContact O-CB 3.46Å; E826-H830 PolarHBondContact O-N 3.05Å
827	Q	85.2	Confident	88.4	Confident	54 Å²	54	32.8 Å²	32.8	25%	0.252	16%	0.161	S	C	.	.	H	α-helix	trans	-65.8	-35.6	175.8	-73.4	171.9	-34.2	0	0	112.2	G796 M823 S824 T829 H830 L831	G796-Q827 PolarHBondContact O-NE2 3.48Å; M823-Q827 HydrophobicContact CE-CB 3.65Å; M823-Q827 WeakPolarHBondContact CE-O 3.24Å; M823-Q827 HydrophobicContact SD-CB 4.19Å; S824-Q827 WeakPolarHBondContact O-CB 3.45Å; S824-Q827 PolarHBondContact O-N 2.85Å; S824-Q827 WeakPolarHBondContact OG-CB 3.43Å; S824-Q827 WeakPolarHBondContact OG-CG 3.38Å; S824-Q827 PolarHBondContact OG-OE1 3.05Å; Q827-T829 VanDerWaalsContact C-N 3.34Å; Q827-H830 PolarHBondContact O-N 3.46Å; Q827-L831 WeakPolarHBondContact O-CB 3.35Å; Q827-L831 PolarHBondContact O-N 3.22Å
828	K	89.4	Confident	88.3	Confident	9 Å²	9	33.4 Å²	33.4	4%	0.039	16%	0.164	C	C	.	.	H	α-helix	trans	-58.7	-48.3	171.9	-67	-175.7	170	-173.6	0	110.4	D468 V712 M823 S824 P825 E826 H830 L831 V832 D851 A854	D468-K828 IonicContact OD1-NZ 2.97Å; D468-K828 PolarHBondContact OD1-NZ 3.28Å; V712-K828 HydrophobicContact CG1-CB 4.39Å; V712-K828 HydrophobicContact CG1-CG 3.79Å; M823-K828 HydrophobicContact CB-CG 4.04Å; S824-K828 WeakPolarHBondContact O-CG 3.33Å; S824-K828 PolarHBondContact O-N 3.24Å; P825-K828 WeakPolarHBondContact O-CB 3.48Å; P825-K828 PolarHBondContact O-N 3.12Å; E826-K828 VanDerWaalsContact C-N 3.34Å; E826-K828 PolarHBondContact O-N 2.82Å; K828-H830 PolarHBondContact O-N 3.03Å; K828-L831 PolarHBondContact O-N 3.41Å; K828-V832 WeakPolarHBondContact O-CG2 3.4Å; K828-V832 PolarHBondContact O-N 3.48Å; K828-V832 VanDerWaalsContact O-N 3.13Å; K828-D851 VanDerWaalsContact CD-OD1 3.27Å; K828-D851 WeakPolarHBondContact CD-OD1 3.29Å; K828-D851 IonicContact NZ-OD1 2.71Å; K828-D851 PolarHBondContact NZ-OD1 2.88Å; K828-D851 IonicContact NZ-OD2 2.61Å; K828-A854 HydrophobicContact CB-CB 4Å
829	T	86.1	Confident	88	Confident	32 Å²	32	37.2 Å²	37.2	20%	0.196	19%	0.185	C	C	.	.	H	α-helix	trans	-61.4	-44.1	177.3	-54.3	0	0	0	0	111.7	P825 E826 Q827 V832 N833 G853 A854 A857	P825-T829 PolarHBondContact O-N 3.39Å; P825-T829 VanDerWaalsContact O-N 3.12Å; P825-T829 PolarHBondContact O-OG1 3Å; E826-T829 WeakPolarHBondContact O-CB 3.4Å; E826-T829 PolarHBondContact O-N 2.87Å; Q827-T829 VanDerWaalsContact C-N 3.34Å; T829-V832 PolarHBondContact O-N 3.29Å; T829-N833 PolarHBondContact O-N 3.08Å; T829-N833 PolarHBondContact O-ND2 3.09Å; T829-G853 WeakPolarHBondContact OG1-CA 3.35Å; T829-A854 PolarHBondContact OG1-N 3.25Å; T829-A857 HydrophobicContact CG2-CB 3.85Å
830	H	85.7	Confident	87.8	Confident	92 Å²	92	37.6 Å²	37.6	43%	0.426	19%	0.186	S	C	.	.	H	α-helix	trans	-63.8	-41.7	178	-172.9	-92.2	0	0	0	112.4	E826 Q827 K828 V832 N833 I834	E826-H830 WeakPolarHBondContact O-CB 3.46Å; E826-H830 PolarHBondContact O-N 3.05Å; Q827-H830 PolarHBondContact O-N 3.46Å; K828-H830 PolarHBondContact O-N 3.03Å; H830-V832 VanDerWaalsContact C-N 3.34Å; H830-V832 PolarHBondContact O-N 3.14Å; H830-N833 WeakPolarHBondContact O-CB 3.27Å; H830-N833 PolarHBondContact O-N 3.17Å; H830-I834 WeakPolarHBondContact CE1-CD1 3.22Å; H830-I834 WeakPolarHBondContact ND1-CD1 3.48Å; H830-I834 WeakPolarHBondContact O-CG1 3.5Å; H830-I834 PolarHBondContact O-N 3.25Å
831	L	92.6	Very high	87.6	Confident	5 Å²	5	38.6 Å²	38.6	3%	0.026	19%	0.192	C	C	.	.	H	α-helix	trans	-59.4	-45.2	174.8	175.1	62.9	0	0	0	111.6	V712 V814 F820 M823 Q827 K828 N833 I834 L835	V712-L831 HydrophobicContact CB-CD2 4.4Å; V712-L831 HydrophobicContact CG1-CD2 3.89Å; V712-L831 HydrophobicContact CG2-CD2 3.54Å; V814-L831 HydrophobicContact CB-CD1 4.49Å; V814-L831 HydrophobicContact CG1-CD1 3.95Å; V814-L831 HydrophobicContact CG2-CD1 3.86Å; F820-L831 HydrophobicContact CB-CD2 4.09Å; F820-L831 HydrophobicContact CD1-CD1 4.15Å; F820-L831 HydrophobicContact CD1-CD2 3.85Å; F820-L831 HydrophobicContact CD2-CD2 3.68Å; F820-L831 HydrophobicContact CE1-CD1 3.71Å; F820-L831 HydrophobicContact CE1-CD2 4.2Å; F820-L831 HydrophobicContact CE2-CD1 4.18Å; F820-L831 HydrophobicContact CE2-CD2 4.02Å; F820-L831 HydrophobicContact CG-CD2 3.59Å; F820-L831 HydrophobicContact CZ-CD1 3.73Å; F820-L831 HydrophobicContact CZ-CD2 4.28Å; M823-L831 HydrophobicContact CE-CB 4.1Å; M823-L831 HydrophobicContact CE-CD2 4.19Å; Q827-L831 WeakPolarHBondContact O-CB 3.35Å; Q827-L831 PolarHBondContact O-N 3.22Å; K828-L831 PolarHBondContact O-N 3.41Å; L831-N833 VanDerWaalsContact C-N 3.32Å; L831-N833 PolarHBondContact O-N 3.42Å; L831-I834 PolarHBondContact O-N 2.84Å; L831-L835 HydrophobicContact CD1-CD1 4.47Å; L831-L835 HydrophobicContact CD1-CG 4.5Å; L831-L835 HydrophobicContact CG-CD1 4.28Å; L831-L835 WeakPolarHBondContact O-CG 3.37Å; L831-L835 PolarHBondContact O-N 2.88Å
832	V	91.9	Very high	87.7	Confident	3 Å²	3	38.6 Å²	38.6	2%	0.018	19%	0.192	C	C	.	.	H	α-helix	trans	-57.8	-46.4	174.7	170.5	0	0	0	0	110.3	K828 T829 H830 I834 L835 Q836 V842 A854 A857 A858	K828-V832 WeakPolarHBondContact O-CG2 3.4Å; K828-V832 PolarHBondContact O-N 3.48Å; K828-V832 VanDerWaalsContact O-N 3.13Å; T829-V832 PolarHBondContact O-N 3.29Å; H830-V832 VanDerWaalsContact C-N 3.34Å; H830-V832 PolarHBondContact O-N 3.14Å; V832-I834 PolarHBondContact O-N 3.13Å; V832-L835 WeakPolarHBondContact O-CB 3.26Å; V832-L835 PolarHBondContact O-N 3.25Å; V832-Q836 VanDerWaalsContact O-CG 3.3Å; V832-Q836 WeakPolarHBondContact O-CG 3.46Å; V832-Q836 PolarHBondContact O-N 3.15Å; V832-Q836 VanDerWaalsContact O-N 3.1Å; V832-V842 HydrophobicContact CG1-CB 4.43Å; V832-V842 HydrophobicContact CG1-CG1 4.05Å; V832-V842 HydrophobicContact CG2-CG1 4.37Å; V832-A854 HydrophobicContact CG2-CB 4.14Å; V832-A857 HydrophobicContact CG1-CB 4.14Å; V832-A858 HydrophobicContact CG1-CB 4.07Å
833	N	88.5	Confident	88.2	Confident	31 Å²	31	33.9 Å²	33.9	17%	0.166	18%	0.175	C	C	.	.	H	α-helix	trans	-60	-45.7	177.7	-73.9	-41.2	0	0	0	112.9	T829 H830 L831 L835 Q836 E837	T829-N833 PolarHBondContact O-N 3.08Å; T829-N833 PolarHBondContact O-ND2 3.09Å; H830-N833 WeakPolarHBondContact O-CB 3.27Å; H830-N833 PolarHBondContact O-N 3.17Å; L831-N833 VanDerWaalsContact C-N 3.32Å; L831-N833 PolarHBondContact O-N 3.42Å; N833-L835 VanDerWaalsContact C-N 3.33Å; N833-L835 PolarHBondContact O-N 2.69Å; N833-Q836 WeakPolarHBondContact O-CB 3.46Å; N833-Q836 PolarHBondContact O-N 3.07Å; N833-Q836 VanDerWaalsContact O-N 3.14Å; N833-E837 WeakPolarHBondContact O-CG 3.33Å; N833-E837 PolarHBondContact O-N 3.27Å
834	I	90.1	Very high	88.5	Confident	13 Å²	13	33.5 Å²	33.5	7%	0.067	17%	0.173	C	C	.	.	H	α-helix	trans	-62.1	-42.5	177.7	-61.6	160.9	0	0	0	110.7	I810 V814 H830 L831 V832 Q836 E837 M838	I810-I834 HydrophobicContact CG2-CD1 3.67Å; I810-I834 HydrophobicContact CG2-CG1 4.47Å; I810-I834 HydrophobicContact CG2-CG2 4.21Å; V814-I834 HydrophobicContact CB-CG2 4.11Å; V814-I834 HydrophobicContact CG1-CB 4.46Å; V814-I834 HydrophobicContact CG1-CG2 3.99Å; V814-I834 HydrophobicContact CG2-CB 4.43Å; V814-I834 HydrophobicContact CG2-CD1 4.31Å; V814-I834 HydrophobicContact CG2-CG2 3.89Å; H830-I834 WeakPolarHBondContact CE1-CD1 3.22Å; H830-I834 WeakPolarHBondContact ND1-CD1 3.48Å; H830-I834 WeakPolarHBondContact O-CG1 3.5Å; H830-I834 PolarHBondContact O-N 3.25Å; L831-I834 PolarHBondContact O-N 2.84Å; V832-I834 PolarHBondContact O-N 3.13Å; I834-Q836 PolarHBondContact O-N 3.19Å; I834-E837 WeakPolarHBondContact O-CB 3.33Å; I834-E837 PolarHBondContact O-N 3.43Å; I834-E837 VanDerWaalsContact O-N 3.14Å; I834-M838 HydrophobicContact CG2-CG 4.4Å; I834-M838 WeakPolarHBondContact O-CG 3.3Å; I834-M838 PolarHBondContact O-N 3.44Å
835	L	93.2	Very high	89.2	Confident	1 Å²	1	31.5 Å²	31.5	1%	0.005	16%	0.159	C	C	.	.	H	α-helix	trans	-57	-41.6	176.1	-76	166.3	0	0	0	111	V814 L831 V832 N833 M838 Y840 V842	V814-L835 HydrophobicContact CG1-CD2 3.38Å; V814-L835 HydrophobicContact CG1-CG 3.6Å; L831-L835 HydrophobicContact CD1-CD1 4.47Å; L831-L835 HydrophobicContact CD1-CG 4.5Å; L831-L835 HydrophobicContact CG-CD1 4.28Å; L831-L835 WeakPolarHBondContact O-CG 3.37Å; L831-L835 PolarHBondContact O-N 2.88Å; V832-L835 WeakPolarHBondContact O-CB 3.26Å; V832-L835 PolarHBondContact O-N 3.25Å; N833-L835 VanDerWaalsContact C-N 3.33Å; N833-L835 PolarHBondContact O-N 2.69Å; L835-M838 WeakPolarHBondContact O-CB 3.32Å; L835-M838 PolarHBondContact O-N 2.72Å; L835-Y840 HydrophobicContact CB-CD2 4.41Å; L835-Y840 HydrophobicContact CD2-CD2 3.73Å; L835-Y840 HydrophobicContact CD2-CE2 3.97Å; L835-Y840 HydrophobicContact CD2-CG 4.38Å; L835-Y840 VanDerWaalsContact O-CB 3.25Å; L835-Y840 WeakPolarHBondContact O-CB 3.47Å; L835-Y840 WeakPolarHBondContact O-CD2 3.24Å; L835-Y840 PolarHBondContact O-N 3.32Å; L835-Y840 VanDerWaalsContact O-N 3.08Å; L835-V842 HydrophobicContact CB-CG2 3.5Å; L835-V842 VanDerWaalsContact CB-CG2 3.5Å; L835-V842 HydrophobicContact CD1-CG1 4.35Å; L835-V842 HydrophobicContact CD1-CG2 4.44Å
836	Q	90	Very high	89.9	Confident	32 Å²	32	29.4 Å²	29.4	15%	0.15	15%	0.145	C	C	.	.	H	α-helix	trans	-65.5	-40.8	176.2	-60.9	-179.4	3.7	0	0	112.8	V832 N833 I834 M838 D839 V842 A857 H859	V832-Q836 VanDerWaalsContact O-CG 3.3Å; V832-Q836 WeakPolarHBondContact O-CG 3.46Å; V832-Q836 PolarHBondContact O-N 3.15Å; V832-Q836 VanDerWaalsContact O-N 3.1Å; N833-Q836 WeakPolarHBondContact O-CB 3.46Å; N833-Q836 PolarHBondContact O-N 3.07Å; N833-Q836 VanDerWaalsContact O-N 3.14Å; I834-Q836 PolarHBondContact O-N 3.19Å; Q836-M838 PolarHBondContact O-N 3.46Å; Q836-D839 WeakPolarHBondContact O-CA 3.47Å; Q836-D839 PolarHBondContact O-N 3.24Å; Q836-V842 HydrophobicContact CG-CB 4.37Å; Q836-V842 HydrophobicContact CG-CG2 3.77Å; Q836-A857 PolarHBondContact NE2-O 3.03Å; Q836-H859 VanDerWaalsContact CG-CE1 3.42Å; Q836-H859 WeakPolarHBondContact CG-CE1 3.22Å; Q836-H859 PolarHBondContact NE2-ND1 3.47Å
837	E	86.7	Confident	90.3	Very high	107 Å²	107	26.1 Å²	26.1	50%	0.5	13%	0.131	S	C	.	.	H	α-helix	trans	-63.5	-23.1	175.4	-71.4	171.6	-166.8	0	0	113.2	K370 N833 I834 D839 R1128	K370-E837 IonicContact NZ-OE1 2.65Å; N833-E837 WeakPolarHBondContact O-CG 3.33Å; N833-E837 PolarHBondContact O-N 3.27Å; I834-E837 WeakPolarHBondContact O-CB 3.33Å; I834-E837 PolarHBondContact O-N 3.43Å; I834-E837 VanDerWaalsContact O-N 3.14Å; E837-D839 PolarHBondContact O-N 2.77Å; E837-R1128 WeakPolarHBondContact O-CD 3.42Å
838	M	89.3	Confident	89.7	Confident	13 Å²	13	24 Å²	24	6%	0.064	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.3	10.1	172	-65.2	-52.6	-68.1	0	0	113.6	P811 I834 L835 Q836 Y840 R1128 Y1129 E1132	P811-M838 HydrophobicContact CB-CE 3.86Å; P811-M838 HydrophobicContact CB-SD 3.68Å; P811-M838 HydrophobicContact CG-SD 4.43Å; I834-M838 HydrophobicContact CG2-CG 4.4Å; I834-M838 WeakPolarHBondContact O-CG 3.3Å; I834-M838 PolarHBondContact O-N 3.44Å; L835-M838 WeakPolarHBondContact O-CB 3.32Å; L835-M838 PolarHBondContact O-N 2.72Å; Q836-M838 PolarHBondContact O-N 3.46Å; M838-Y840 VanDerWaalsContact C-N 3.32Å; M838-Y840 HydrophobicContact CB-CD2 4.05Å; M838-Y840 HydrophobicContact CB-CE2 4.41Å; M838-R1128 HydrophobicContact CE-CB 3.97Å; M838-R1128 HydrophobicContact SD-CB 4.39Å; M838-Y1129 WeakPolarHBondContact O-CB 3.42Å; M838-Y1129 VanDerWaalsContact O-CD1 3.31Å; M838-Y1129 WeakPolarHBondContact O-CD1 3.23Å; M838-Y1129 PolarHBondContact O-N 3.48Å; M838-E1132 HydrophobicContact CE-CB 4.14Å; M838-E1132 HydrophobicContact CE-CG 3.39Å
839	D	88.3	Confident	88.6	Confident	85 Å²	85	23.9 Å²	23.9	46%	0.455	12%	0.124	S	C	.	.	T	Hydrogen-bonded Turn	trans	66.5	23.3	-175.9	-55.5	-54.8	0	0	0	114.3	Q836 E837 P1127 R1128 Y1129	Q836-D839 WeakPolarHBondContact O-CA 3.47Å; Q836-D839 PolarHBondContact O-N 3.24Å; E837-D839 PolarHBondContact O-N 2.77Å; D839-P1127 HydrophobicContact CB-CB 4.01Å; D839-R1128 WeakPolarHBondContact OD2-CG 3.47Å; D839-R1128 PolarHBondContact OD2-N 3.2Å; D839-Y1129 HydrophobicContact CB-CD1 4.41Å
840	Y	91.5	Very high	88	Confident	9 Å²	9	24.7 Å²	24.7	4%	0.035	13%	0.128	C	C	.	.			trans	-79.1	141.3	166.5	-74.2	-80.8	0	0	0	111.4	N463 V464 L835 M838 H859 Y1129	N463-Y840 WeakPolarHBondContact OD1-CD1 3.3Å; V464-Y840 HydrophobicContact CB-CD1 3.86Å; V464-Y840 HydrophobicContact CB-CE1 4.34Å; V464-Y840 HydrophobicContact CB-CG 4.43Å; V464-Y840 HydrophobicContact CG1-CD1 3.76Å; V464-Y840 HydrophobicContact CG1-CG 3.88Å; L835-Y840 HydrophobicContact CB-CD2 4.41Å; L835-Y840 HydrophobicContact CD2-CD2 3.73Å; L835-Y840 HydrophobicContact CD2-CE2 3.97Å; L835-Y840 HydrophobicContact CD2-CG 4.38Å; L835-Y840 VanDerWaalsContact O-CB 3.25Å; L835-Y840 WeakPolarHBondContact O-CB 3.47Å; L835-Y840 WeakPolarHBondContact O-CD2 3.24Å; L835-Y840 PolarHBondContact O-N 3.32Å; L835-Y840 VanDerWaalsContact O-N 3.08Å; M838-Y840 VanDerWaalsContact C-N 3.32Å; M838-Y840 HydrophobicContact CB-CD2 4.05Å; M838-Y840 HydrophobicContact CB-CE2 4.41Å; Y840-H859 PolarHBondContact O-CE1 3.39Å; Y840-Y1129 HydrophobicContact CD1-CD1 4.21Å; Y840-Y1129 HydrophobicContact CD1-CD2 4.46Å; Y840-Y1129 HydrophobicContact CD1-CE1 4.45Å; Y840-Y1129 HydrophobicContact CD1-CG 4.24Å; Y840-Y1129 HydrophobicContact CD2-CD1 4.26Å; Y840-Y1129 HydrophobicContact CD2-CG 4.1Å; Y840-Y1129 HydrophobicContact CE1-CD1 4.21Å; Y840-Y1129 AromaticContact CE1-CD2 3.69Å; Y840-Y1129 HydrophobicContact CE1-CD2 3.69Å; Y840-Y1129 HydrophobicContact CE1-CE2 4.05Å; Y840-Y1129 AromaticContact CE1-CG 3.8Å; Y840-Y1129 HydrophobicContact CE1-CG 3.8Å; Y840-Y1129 HydrophobicContact CE2-CD1 4.3Å; Y840-Y1129 HydrophobicContact CE2-CD2 4.19Å; Y840-Y1129 AromaticContact CE2-CG 3.67Å; Y840-Y1129 HydrophobicContact CE2-CG 3.67Å; Y840-Y1129 HydrophobicContact CG-CD1 4.22Å; Y840-Y1129 HydrophobicContact CG-CG 4.37Å; Y840-Y1129 VanDerWaalsContact CZ-CB 3.44Å; Y840-Y1129 AromaticContact CZ-CD2 3.51Å; Y840-Y1129 AromaticContact CZ-CG 3.49Å; Y840-Y1129 VanDerWaalsContact CZ-CG 3.49Å; Y840-Y1129 WeakPolarHBondContact OH-CD2 3.49Å
841	T	91.5	Very high	87.9	Confident	22 Å²	22	20.4 Å²	20.4	14%	0.135	11%	0.108	C	C	.	.			trans	-91.9	102.6	163.9	-47.8	0	0	0	0	107.7	T458 G461 I462 N463 V464 H859	T458-T841 HydrophobicContact CG2-CG2 4.26Å; G461-T841 WeakPolarHBondContact O-CB 3.42Å; G461-T841 PolarHBondContact O-OG1 3.33Å; I462-T841 WeakPolarHBondContact CA-O 3.43Å; I462-T841 HydrophobicContact CG1-CG2 4.17Å; N463-T841 PolarHBondContact N-O 3.38Å; N463-T841 PolarHBondContact OD1-N 3.15Å; N463-T841 PolarHBondContact OD1-O 2.95Å; V464-T841 PolarHBondContact N-O 3.09Å; T841-H859 HydrophobicContact CG2-CB 4.01Å
842	V	94.3	Very high	87.3	Confident	0 Å²	0	20.3 Å²	20.3	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	125.9	-167.2	-172.9	0	0	0	0	111.7	V464 V832 L835 Q836 H859 A860	V464-V842 HydrophobicContact CG1-CB 4.08Å; V464-V842 HydrophobicContact CG1-CG1 4.17Å; V464-V842 HydrophobicContact CG1-CG2 3.74Å; V832-V842 HydrophobicContact CG1-CB 4.43Å; V832-V842 HydrophobicContact CG1-CG1 4.05Å; V832-V842 HydrophobicContact CG2-CG1 4.37Å; L835-V842 HydrophobicContact CB-CG2 3.5Å; L835-V842 VanDerWaalsContact CB-CG2 3.5Å; L835-V842 HydrophobicContact CD1-CG1 4.35Å; L835-V842 HydrophobicContact CD1-CG2 4.44Å; Q836-V842 HydrophobicContact CG-CB 4.37Å; Q836-V842 HydrophobicContact CG-CG2 3.77Å; V842-H859 PolarHBondContact N-ND1 3.29Å; V842-H859 VanDerWaalsContact O-CB 3.31Å; V842-H859 WeakPolarHBondContact O-CB 3.44Å; V842-H859 PolarHBondContact O-N 2.95Å; V842-A860 PolarHBondContact O-N 2.93Å
843	A	95.3	Very high	86.7	Confident	1 Å²	1	21.2 Å²	21.2	1%	0.008	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	146.2	160.3	0	0	0	0	0	110.6	I462 V464 V465 C466 A860	I462-A843 HydrophobicContact CD1-CB 3.84Å; I462-A843 HydrophobicContact CG1-CB 4.23Å; I462-A843 HydrophobicContact CG2-CB 4.06Å; V464-A843 PolarHBondContact O-N 3.02Å; V465-A843 CarbonylContact C-O 3.58Å; V465-A843 WeakPolarHBondContact CA-O 3.38Å; V465-A843 HydrophobicContact CB-CB 4.47Å; V465-A843 HydrophobicContact CG1-CB 4.16Å; V465-A843 HydrophobicContact CG2-CB 4.18Å; C466-A843 PolarHBondContact N-O 3.21Å; A843-A860 CarbonylContact C-O 3.59Å; A843-A860 WeakPolarHBondContact CA-O 3.1Å; A843-A860 HydrophobicContact CB-CB 4.24Å
844	M	95.2	Very high	86.6	Confident	1 Å²	1	19.7 Å²	19.7	1%	0.005	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	133.2	172.4	178.6	65.2	-172.8	0	0	108.3	C466 D468 D851 A854 L855 A858 A860 G861 I862	C466-M844 HydrophobicContact CB-SD 3.46Å; C466-M844 WeakPolarHBondContact CB-SD 3.43Å; C466-M844 CarbonylContact O-C 3.22Å; C466-M844 WeakPolarHBondContact O-CA 3.45Å; D468-M844 HydrophobicContact CB-CE 4.39Å; M844-D851 HydrophobicContact CE-CB 4.23Å; M844-D851 WeakPolarHBondContact CE-OD1 3.3Å; M844-A854 HydrophobicContact CE-CB 4.41Å; M844-A854 HydrophobicContact CG-CB 4.03Å; M844-A854 HydrophobicContact SD-CB 4.44Å; M844-L855 HydrophobicContact CB-CD2 4.15Å; M844-L855 HydrophobicContact CG-CD2 3.83Å; M844-L855 HydrophobicContact CG-CG 4.26Å; M844-L855 VanDerWaalsContact O-CD2 3.27Å; M844-L855 WeakPolarHBondContact O-CD2 3.47Å; M844-A858 HydrophobicContact CB-CB 3.73Å; M844-A860 PolarHBondContact N-O 3.4Å; M844-G861 CarbonylContact O-C 3.48Å; M844-G861 WeakPolarHBondContact O-CA 3.42Å; M844-I862 PolarHBondContact O-N 3.05Å
845	C	95.2	Very high	86.6	Confident	0 Å²	0	19.1 Å²	19.1	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	126.6	175.2	-167.7	0	0	0	0	108.9	C466 F467 D468 I862 V885	C466-C845 PolarHBondContact O-N 3.46Å; F467-C845 HydrophobicContact CD1-CB 3.82Å; F467-C845 HydrophobicContact CE1-CB 4.05Å; D468-C845 PolarHBondContact N-O 3.38Å; C845-I862 WeakPolarHBondContact CA-O 3.41Å; C845-V885 HydrophobicContact CB-CG2 4.21Å
846	G	91.1	Very high	86	Confident	0 Å²	0	21.7 Å²	21.7	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.3	162.3	-177.2	0	0	0	0	0	111.5	T472 I862 S863 L864	T472-G846 WeakPolarHBondContact OG1-CA 3.37Å; G846-I862 PolarHBondContact N-O 3.11Å; G846-S863 WeakPolarHBondContact O-CA 3.49Å; G846-L864 PolarHBondContact O-N 3.36Å
847	D	84.8	Confident	85.7	Confident	38 Å²	38	20.7 Å²	20.7	20%	0.203	11%	0.114	C	C	.	.	S	Bend	trans	-114.4	-25.6	-177.4	65.3	-42.2	0	0	0	112.9	G471 T472 L864 S865	G471-D847 VanDerWaalsContact CA-OD2 3.23Å; G471-D847 WeakPolarHBondContact CA-OD2 3.42Å; T472-D847 PolarHBondContact OG1-N 2.91Å; T472-D847 PolarHBondContact OG1-OD1 3.1Å; T472-D847 VanDerWaalsContact OG1-OD1 3.09Å; D847-L864 HydrophobicContact CB-CB 4.13Å; D847-S865 VanDerWaalsContact O-CB 3.26Å; D847-S865 WeakPolarHBondContact O-CB 3.38Å; D847-S865 PolarHBondContact O-OG 2.88Å
848	G	72.3	Confident	85.9	Confident	10 Å²	10	15.8 Å²	15.8	10%	0.103	9%	0.092	C	C	.	.	S	Bend	trans	-98.7	164.5	-174.3	0	0	0	0	0	115.7	N850 D851	G848-N850 PolarHBondContact O-N 3.14Å; G848-D851 PolarHBondContact O-N 2.99Å; G848-D851 VanDerWaalsContact O-N 3.15Å
849	A	67.2	Low	85.9	Confident	6 Å²	6	16.7 Å²	16.7	5%	0.05	10%	0.096	C	C	.	.	G	3₁₀ helix	trans	-68.4	-24.5	174.7	0	0	0	0	0	112.6	L295 D851 C852	L295-A849 VanDerWaalsContact O-CB 3.27Å; L295-A849 WeakPolarHBondContact O-CB 3.24Å; A849-D851 PolarHBondContact O-N 3.32Å; A849-C852 VanDerWaalsContact CA-SG 3.6Å; A849-C852 VanDerWaalsContact O-CB 3.24Å; A849-C852 WeakPolarHBondContact O-CB 3.42Å; A849-C852 PolarHBondContact O-N 3.02Å; A849-C852 PolarHBondContact O-SG 3.49Å
850	N	73.3	Confident	86	Confident	50 Å²	50	12.6 Å²	12.6	27%	0.267	8%	0.075	S	C	.	.	G	3₁₀ helix	trans	-56.3	-19.8	169.4	-70.7	-26.3	0	0	0	113.7	T296 P825 G848	T296-N850 PolarHBondContact O-N 3.19Å; T296-N850 PolarHBondContact O-ND2 3.01Å; T296-N850 VanDerWaalsContact O-ND2 3.15Å; T296-N850 PolarHBondContact O-OD1 3.27Å; P825-N850 WeakPolarHBondContact CB-O 3.27Å; P825-N850 HydrophobicContact CG-CB 4.08Å; G848-N850 PolarHBondContact O-N 3.14Å
851	D	84.1	Confident	86	Confident	2 Å²	2	12.2 Å²	12.2	1%	0.011	7%	0.073	C	C	.	.	G	3₁₀ helix	trans	-97.2	-7.2	177.7	-62.4	-52.2	0	0	0	113.5	K828 M844 G848 A849 G853 A854 L855	K828-D851 VanDerWaalsContact CD-OD1 3.27Å; K828-D851 WeakPolarHBondContact CD-OD1 3.29Å; K828-D851 IonicContact NZ-OD1 2.71Å; K828-D851 PolarHBondContact NZ-OD1 2.88Å; K828-D851 IonicContact NZ-OD2 2.61Å; M844-D851 HydrophobicContact CE-CB 4.23Å; M844-D851 WeakPolarHBondContact CE-OD1 3.3Å; G848-D851 PolarHBondContact O-N 2.99Å; G848-D851 VanDerWaalsContact O-N 3.15Å; A849-D851 PolarHBondContact O-N 3.32Å; D851-G853 VanDerWaalsContact C-N 3.3Å; D851-G853 PolarHBondContact O-N 3.31Å; D851-A854 CarbonylContact O-C 3.56Å; D851-A854 PolarHBondContact O-N 2.77Å; D851-L855 HydrophobicContact CB-CD1 3.94Å; D851-L855 HydrophobicContact CB-CG 4.02Å; D851-L855 WeakPolarHBondContact O-CB 3.44Å; D851-L855 VanDerWaalsContact O-CG 3.28Å; D851-L855 WeakPolarHBondContact O-CG 3.47Å; D851-L855 PolarHBondContact O-N 2.63Å
852	C	79.9	Confident	86.1	Confident	2 Å²	2	11.2 Å²	11.2	1%	0.014	7%	0.067	C	C	.	.	H	α-helix	trans	-49.5	-47.7	-175.3	-77.9	0	0	0	0	113.2	L362 A849 K856 A869 A872	L362-C852 HydrophobicContact CD1-CB 3.96Å; A849-C852 VanDerWaalsContact CA-SG 3.6Å; A849-C852 VanDerWaalsContact O-CB 3.24Å; A849-C852 WeakPolarHBondContact O-CB 3.42Å; A849-C852 PolarHBondContact O-N 3.02Å; A849-C852 PolarHBondContact O-SG 3.49Å; C852-K856 WeakPolarHBondContact O-CB 3.27Å; C852-K856 PolarHBondContact O-N 3.23Å; C852-A869 WeakPolarHBondContact SG-CA 3.41Å; C852-A872 HydrophobicContact CB-CB 4.14Å
853	G	78.9	Confident	86	Confident	22 Å²	22	11.2 Å²	11.2	23%	0.227	7%	0.067	C	C	.	.	H	α-helix	trans	-63	-44.3	178.7	0	0	0	0	0	112.4	T829 D851 K856 A857	T829-G853 WeakPolarHBondContact OG1-CA 3.35Å; D851-G853 VanDerWaalsContact C-N 3.3Å; D851-G853 PolarHBondContact O-N 3.31Å; G853-K856 PolarHBondContact O-N 3.4Å; G853-A857 VanDerWaalsContact O-CB 3.24Å; G853-A857 WeakPolarHBondContact O-CB 3.29Å; G853-A857 PolarHBondContact O-N 3.43Å
854	A	86.9	Confident	85.7	Confident	0 Å²	0	11.6 Å²	11.6	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-70.6	-40.6	179.8	0	0	0	0	0	112.3	K828 T829 V832 M844 D851 K856 A857 A858	K828-A854 HydrophobicContact CB-CB 4Å; T829-A854 PolarHBondContact OG1-N 3.25Å; V832-A854 HydrophobicContact CG2-CB 4.14Å; M844-A854 HydrophobicContact CE-CB 4.41Å; M844-A854 HydrophobicContact CG-CB 4.03Å; M844-A854 HydrophobicContact SD-CB 4.44Å; D851-A854 CarbonylContact O-C 3.56Å; D851-A854 PolarHBondContact O-N 2.77Å; A854-K856 VanDerWaalsContact C-N 3.34Å; A854-K856 PolarHBondContact O-N 2.81Å; A854-A857 PolarHBondContact O-N 3.24Å; A854-A858 VanDerWaalsContact O-CB 3.32Å; A854-A858 WeakPolarHBondContact O-CB 3.45Å; A854-A858 PolarHBondContact O-N 3.41Å
855	L	89.4	Confident	84.8	Confident	0 Å²	0	13 Å²	13	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-60.3	-42.5	174.4	-71.2	171.2	0	0	0	111.2	M844 D851 G861 I862 A869	M844-L855 HydrophobicContact CB-CD2 4.15Å; M844-L855 HydrophobicContact CG-CD2 3.83Å; M844-L855 HydrophobicContact CG-CG 4.26Å; M844-L855 VanDerWaalsContact O-CD2 3.27Å; M844-L855 WeakPolarHBondContact O-CD2 3.47Å; D851-L855 HydrophobicContact CB-CD1 3.94Å; D851-L855 HydrophobicContact CB-CG 4.02Å; D851-L855 WeakPolarHBondContact O-CB 3.44Å; D851-L855 VanDerWaalsContact O-CG 3.28Å; D851-L855 WeakPolarHBondContact O-CG 3.47Å; D851-L855 PolarHBondContact O-N 2.63Å; L855-G861 VanDerWaalsContact O-CA 3.22Å; L855-G861 WeakPolarHBondContact O-CA 3.48Å; L855-I862 VanDerWaalsContact CD2-O 3.29Å; L855-I862 WeakPolarHBondContact CD2-O 3.42Å; L855-A869 HydrophobicContact CD1-CB 4.3Å
856	K	81.9	Confident	83.6	Confident	56 Å²	56	19.6 Å²	19.6	24%	0.243	11%	0.109	C	C	.	.	H	α-helix	trans	-72.3	-39.5	177.6	-168	71.7	178.9	-173.8	0	112.7	P369 C852 G853 A854 A858 A872	P369-K856 HydrophobicContact CB-CD 4.34Å; P369-K856 HydrophobicContact CB-CG 3.94Å; C852-K856 WeakPolarHBondContact O-CB 3.27Å; C852-K856 PolarHBondContact O-N 3.23Å; G853-K856 PolarHBondContact O-N 3.4Å; A854-K856 VanDerWaalsContact C-N 3.34Å; A854-K856 PolarHBondContact O-N 2.81Å; K856-A858 VanDerWaalsContact C-N 3.35Å; K856-A872 WeakPolarHBondContact CD-O 3.46Å; K856-A872 PolarHBondContact NZ-O 3.27Å
857	A	83.7	Confident	82.2	Confident	10 Å²	10	21.9 Å²	21.9	8%	0.083	13%	0.126	C	C	.	.	H	α-helix	trans	-70.1	-32.8	-179.7	0	0	0	0	0	112.1	T829 V832 Q836 G853 A854	T829-A857 HydrophobicContact CG2-CB 3.85Å; V832-A857 HydrophobicContact CG1-CB 4.14Å; Q836-A857 PolarHBondContact NE2-O 3.03Å; G853-A857 VanDerWaalsContact O-CB 3.24Å; G853-A857 WeakPolarHBondContact O-CB 3.29Å; G853-A857 PolarHBondContact O-N 3.43Å; A854-A857 PolarHBondContact O-N 3.24Å
858	A	90	Very high	81	Confident	4 Å²	4	22.9 Å²	22.9	3%	0.033	13%	0.129	C	C	.	.	S	Bend	trans	-59.2	151.8	178.6	0	0	0	0	0	112.3	V832 M844 A854 K856 A860	V832-A858 HydrophobicContact CG1-CB 4.07Å; M844-A858 HydrophobicContact CB-CB 3.73Å; A854-A858 VanDerWaalsContact O-CB 3.32Å; A854-A858 WeakPolarHBondContact O-CB 3.45Å; A854-A858 PolarHBondContact O-N 3.41Å; K856-A858 VanDerWaalsContact C-N 3.35Å; A858-A860 PolarHBondContact O-N 2.72Å
859	H	88.8	Confident	80.3	Confident	32 Å²	32	22.4 Å²	22.4	15%	0.148	12%	0.124	C	C	.	.	S	Bend	trans	-61.7	-31.4	172	-71.6	84.5	0	0	0	111.2	V372 T458 Q836 Y840 T841 V842	V372-H859 HydrophobicContact CG1-CB 4.32Å; V372-H859 WeakPolarHBondContact CG1-CD2 3.35Å; T458-H859 HydrophobicContact CG2-CB 3.72Å; Q836-H859 VanDerWaalsContact CG-CE1 3.42Å; Q836-H859 WeakPolarHBondContact CG-CE1 3.22Å; Q836-H859 PolarHBondContact NE2-ND1 3.47Å; Y840-H859 PolarHBondContact O-CE1 3.39Å; T841-H859 HydrophobicContact CG2-CB 4.01Å; V842-H859 PolarHBondContact N-ND1 3.29Å; V842-H859 VanDerWaalsContact O-CB 3.31Å; V842-H859 WeakPolarHBondContact O-CB 3.44Å; V842-H859 PolarHBondContact O-N 2.95Å
860	A	90.8	Very high	79.9	Confident	0 Å²	0	23.2 Å²	23.2	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	99.7	172.8	0	0	0	0	0	110.7	C459 I462 V842 A843 M844 A858 F875	C459-A860 VanDerWaalsContact SG-CB 3.51Å; I462-A860 HydrophobicContact CD1-CB 3.86Å; V842-A860 PolarHBondContact O-N 2.93Å; A843-A860 CarbonylContact C-O 3.59Å; A843-A860 WeakPolarHBondContact CA-O 3.1Å; A843-A860 HydrophobicContact CB-CB 4.24Å; M844-A860 PolarHBondContact N-O 3.4Å; A858-A860 PolarHBondContact O-N 2.72Å; A860-F875 HydrophobicContact CB-CE2 4.19Å
861	G	92.2	Very high	79.6	Confident	0 Å²	0	24.5 Å²	24.5	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	133.2	168.6	0	0	0	0	0	112.2	M844 L855 P874 F875	M844-G861 CarbonylContact O-C 3.48Å; M844-G861 WeakPolarHBondContact O-CA 3.42Å; L855-G861 VanDerWaalsContact O-CA 3.22Å; L855-G861 WeakPolarHBondContact O-CA 3.48Å; G861-P874 WeakPolarHBondContact O-CD 3.45Å; G861-P874 VanDerWaalsContact O-CG 3.29Å; G861-P874 WeakPolarHBondContact O-CG 3.14Å; G861-F875 PolarHBondContact O-N 2.78Å; G861-F875 VanDerWaalsContact O-N 3.08Å
862	I	93.6	Very high	78.8	Confident	1 Å²	1	24.4 Å²	24.4	1%	0.005	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	111.5	178	-57.6	169.4	0	0	0	108.1	M844 C845 G846 L855 F875 V885 V888	M844-I862 PolarHBondContact O-N 3.05Å; C845-I862 WeakPolarHBondContact CA-O 3.41Å; G846-I862 PolarHBondContact N-O 3.11Å; L855-I862 VanDerWaalsContact CD2-O 3.29Å; L855-I862 WeakPolarHBondContact CD2-O 3.42Å; I862-F875 WeakPolarHBondContact CA-O 3.45Å; I862-F875 HydrophobicContact CG1-CB 4.14Å; I862-F875 HydrophobicContact CG1-CD2 4.39Å; I862-V885 HydrophobicContact CD1-CB 4.4Å; I862-V885 HydrophobicContact CD1-CG2 3.92Å; I862-V888 HydrophobicContact CD1-CB 4.24Å; I862-V888 HydrophobicContact CD1-CG1 4.29Å; I862-V888 HydrophobicContact CD1-CG2 4.24Å
863	S	91.3	Very high	78.8	Confident	0 Å²	0	24.4 Å²	24.4	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	136.5	171.6	-179.8	0	0	0	0	110.4	G846 S865 S873 F875 T876 S877	G846-S863 WeakPolarHBondContact O-CA 3.49Å; S863-S865 PolarHBondContact OG-N 2.88Å; S863-S865 PolarHBondContact OG-O 3.2Å; S863-S873 WeakPolarHBondContact CB-OG 3.48Å; S863-F875 PolarHBondContact N-O 3.16Å; S863-T876 WeakPolarHBondContact O-CA 3.27Å; S863-S877 PolarHBondContact O-N 3.32Å
864	L	89.7	Confident	79	Confident	10 Å²	10	24 Å²	24	5%	0.052	13%	0.128	C	C	.	.	S	Bend	trans	-97.1	-1.9	172.6	-59.5	-177.9	0	0	0	113.6	T472 G846 D847 N881 I882	T472-L864 HydrophobicContact CG2-CD1 3.95Å; G846-L864 PolarHBondContact O-N 3.36Å; D847-L864 HydrophobicContact CB-CB 4.13Å; L864-N881 VanDerWaalsContact CD2-O 3.24Å; L864-N881 WeakPolarHBondContact CD2-O 3.31Å; L864-I882 HydrophobicContact CD1-CG2 4.27Å
865	S	76.7	Confident	79.2	Confident	30 Å²	30	24 Å²	24	21%	0.21	13%	0.128	C	C	.	.	S	Bend	trans	-123.1	157	179.2	74	0	0	0	0	112.4	D847 S863 S867	D847-S865 VanDerWaalsContact O-CB 3.26Å; D847-S865 WeakPolarHBondContact O-CB 3.38Å; D847-S865 PolarHBondContact O-OG 2.88Å; S863-S865 PolarHBondContact OG-N 2.88Å; S863-S865 PolarHBondContact OG-O 3.2Å; S865-S867 PolarHBondContact O-N 2.9Å; S865-S867 PolarHBondContact OG-OG 3.14Å
866	E	68.2	Low	79.2	Confident	138 Å²	138	24.6 Å²	24.6	65%	0.645	13%	0.132	S	C	*	.	S	Bend	trans	-85	9.4	174.4	-63.4	-167.6	159	0	0	113	K878	E866-K878 WeakPolarHBondContact OE1-CE 3.24Å; E866-K878 IonicContact OE1-NZ 3.43Å
867	S	63.7	Low	79.7	Confident	49 Å²	49	22 Å²	22	34%	0.343	12%	0.121	S	C	.	.	S	Bend	trans	-74.1	-171.4	-179.5	70.7	0	0	0	0	113	S865 A869 S870	S865-S867 PolarHBondContact O-N 2.9Å; S865-S867 PolarHBondContact OG-OG 3.14Å; S867-A869 PolarHBondContact O-N 3.24Å; S867-S870 VanDerWaalsContact O-CB 3.29Å; S867-S870 WeakPolarHBondContact O-CB 3.32Å; S867-S870 PolarHBondContact O-N 2.85Å; S867-S870 PolarHBondContact O-OG 2.96Å
868	E	59.6	Low	79.9	Confident	59 Å²	59	26.6 Å²	26.6	28%	0.276	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.9	-28.3	175.4	-62.1	-166.2	179.4	0	0	113	G294 L362 S870 I871 A872	G294-E868 VanDerWaalsContact O-OE2 3.07Å; L362-E868 WeakPolarHBondContact CD2-OE2 3.48Å; E868-S870 PolarHBondContact O-N 3.32Å; E868-I871 WeakPolarHBondContact O-CB 3.38Å; E868-I871 PolarHBondContact O-N 2.84Å; E868-A872 PolarHBondContact O-N 2.96Å
869	A	56	Low	79.8	Confident	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-55.3	-33.8	173	0	0	0	0	0	113.6	C852 L855 S867 I871 A872 S873	C852-A869 WeakPolarHBondContact SG-CA 3.41Å; L855-A869 HydrophobicContact CD1-CB 4.3Å; S867-A869 PolarHBondContact O-N 3.24Å; A869-I871 VanDerWaalsContact C-N 3.26Å; A869-I871 PolarHBondContact O-N 3.34Å; A869-A872 PolarHBondContact O-N 3.1Å; A869-S873 PolarHBondContact O-N 3.32Å; A869-S873 PolarHBondContact O-OG 3.39Å
870	S	59.7	Low	79.8	Confident	22 Å²	22	32.9 Å²	32.9	15%	0.154	17%	0.174	C	C	.	.	H	α-helix	trans	-66.8	-24.3	177.4	71.3	0	0	0	0	113.8	I451 S867 E868	I451-S870 WeakPolarHBondContact CD1-O 3.29Å; S867-S870 VanDerWaalsContact O-CB 3.29Å; S867-S870 WeakPolarHBondContact O-CB 3.32Å; S867-S870 PolarHBondContact O-N 2.85Å; S867-S870 PolarHBondContact O-OG 2.96Å; E868-S870 PolarHBondContact O-N 3.32Å
871	I	66.6	Low	79.8	Confident	77 Å²	77	33.6 Å²	33.6	40%	0.395	18%	0.177	S	C	.	.	H	α-helix	trans	-81.5	-34.3	177.4	-56.2	173.9	0	0	0	109.8	I366 E868 A869	I366-I871 HydrophobicContact CG2-CG2 4.45Å; E868-I871 WeakPolarHBondContact O-CB 3.38Å; E868-I871 PolarHBondContact O-N 2.84Å; A869-I871 VanDerWaalsContact C-N 3.26Å; A869-I871 PolarHBondContact O-N 3.34Å
872	A	66.5	Low	79.9	Confident	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-73.4	-43.2	178.1	0	0	0	0	0	111.6	I366 C852 K856 E868 A869	I366-A872 HydrophobicContact CG1-CB 4.33Å; C852-A872 HydrophobicContact CB-CB 4.14Å; K856-A872 WeakPolarHBondContact CD-O 3.46Å; K856-A872 PolarHBondContact NZ-O 3.27Å; E868-A872 PolarHBondContact O-N 2.96Å; A869-A872 PolarHBondContact O-N 3.1Å
873	S	81.3	Confident	80	Confident	2 Å²	2	36.9 Å²	36.9	1%	0.014	19%	0.193	C	C	.	.	S	Bend	trans	-77.3	142.4	-174.4	65.7	0	0	0	0	113.1	S863 A869 F875	S863-S873 WeakPolarHBondContact CB-OG 3.48Å; A869-S873 PolarHBondContact O-N 3.32Å; A869-S873 PolarHBondContact O-OG 3.39Å; S873-F875 VanDerWaalsContact C-N 3.26Å; S873-F875 WeakPolarHBondContact CB-O 3.35Å; S873-F875 PolarHBondContact O-N 3.25Å; S873-F875 PolarHBondContact OG-O 3.11Å
874	P	83.3	Confident	80.1	Confident	13 Å²	13	37.1 Å²	37.1	8%	0.084	19%	0.194	C	C	.	.	S	Bend	trans	-68.2	-25.6	171.4	26.6	-34.5	0	0	0	113	C450 I451 S452 T455 G861	C450-P874 CarbonylContact C-O 3.56Å; C450-P874 WeakPolarHBondContact CA-O 3.43Å; I451-P874 PolarHBondContact N-O 3.32Å; S452-P874 WeakPolarHBondContact OG-CB 2.94Å; T455-P874 HydrophobicContact CG2-CB 4Å; T455-P874 HydrophobicContact CG2-CG 4.47Å; G861-P874 WeakPolarHBondContact O-CD 3.45Å; G861-P874 VanDerWaalsContact O-CG 3.29Å; G861-P874 WeakPolarHBondContact O-CG 3.14Å
875	F	90.8	Very high	80.4	Confident	0 Å²	0	36.6 Å²	36.6	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	142.4	177	-57.4	-80.7	0	0	0	111.6	L443 V448 Y449 C450 L456 C459 A860 G861 I862 S863 S873 V888	L443-F875 HydrophobicContact CD1-CE1 4.17Å; V448-F875 HydrophobicContact CG1-CB 4.38Å; V448-F875 HydrophobicContact CG1-CD1 4.34Å; Y449-F875 CarbonylContact O-C 3.56Å; Y449-F875 VanDerWaalsContact O-CA 3.25Å; Y449-F875 WeakPolarHBondContact O-CA 3.48Å; C450-F875 HydrophobicContact CB-CD1 3.95Å; C450-F875 HydrophobicContact CB-CE1 3.85Å; C450-F875 WeakPolarHBondContact SG-CE1 3.36Å; L456-F875 HydrophobicContact CB-CZ 4.47Å; L456-F875 HydrophobicContact CD1-CE1 4.16Å; L456-F875 HydrophobicContact CD1-CZ 4.22Å; C459-F875 WeakPolarHBondContact SG-CE2 3.43Å; C459-F875 VanDerWaalsContact SG-CZ 3.6Å; A860-F875 HydrophobicContact CB-CE2 4.19Å; G861-F875 PolarHBondContact O-N 2.78Å; G861-F875 VanDerWaalsContact O-N 3.08Å; I862-F875 WeakPolarHBondContact CA-O 3.45Å; I862-F875 HydrophobicContact CG1-CB 4.14Å; I862-F875 HydrophobicContact CG1-CD2 4.39Å; S863-F875 PolarHBondContact N-O 3.16Å; S873-F875 VanDerWaalsContact C-N 3.26Å; S873-F875 WeakPolarHBondContact CB-O 3.35Å; S873-F875 PolarHBondContact O-N 3.25Å; S873-F875 PolarHBondContact OG-O 3.11Å; F875-V888 HydrophobicContact CD1-CG2 4.35Å; F875-V888 HydrophobicContact CD2-CG1 4.23Å; F875-V888 HydrophobicContact CE1-CG1 4.43Å; F875-V888 HydrophobicContact CE2-CG1 4.11Å; F875-V888 HydrophobicContact CG-CG1 4.48Å; F875-V888 HydrophobicContact CG-CG2 4.41Å; F875-V888 HydrophobicContact CZ-CG1 4.22Å
876	T	90	Very high	81.3	Confident	14 Å²	14	36.9 Å²	36.9	9%	0.086	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	122.2	175.1	-53.9	0	0	0	0	109.3	V448 Y449 S863	V448-T876 WeakPolarHBondContact CA-O 3.41Å; Y449-T876 PolarHBondContact N-O 3.11Å; Y449-T876 PolarHBondContact O-N 3.25Å; S863-T876 WeakPolarHBondContact O-CA 3.27Å
877	S	91.3	Very high	82.6	Confident	2 Å²	2	31.2 Å²	31.2	1%	0.014	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	132.5	173.7	179.8	0	0	0	0	109.5	S863 K879	S863-S877 PolarHBondContact O-N 3.32Å; S877-K879 VanDerWaalsContact C-N 3.3Å; S877-K879 PolarHBondContact OG-N 3.22Å; S877-K879 PolarHBondContact OG-O 3.41Å
878	K	87.9	Confident	84.1	Confident	105 Å²	105	28.9 Å²	28.9	46%	0.457	15%	0.148	S	C	.	.	S	Bend	trans	-78.6	-17	168.8	-70.3	-168.2	168.7	-156	0	113.5	L447 Y449 E866	L447-K878 HydrophobicContact CB-CB 4.23Å; L447-K878 PolarHBondContact O-N 3.29Å; L447-K878 VanDerWaalsContact O-N 3.08Å; Y449-K878 HydrophobicContact CD2-CG 4.3Å; Y449-K878 HydrophobicContact CE2-CD 3.69Å; Y449-K878 HydrophobicContact CE2-CG 3.78Å; E866-K878 WeakPolarHBondContact OE1-CE 3.24Å; E866-K878 IonicContact OE1-NZ 3.43Å
879	K	88.9	Confident	85.8	Confident	84 Å²	84	26.1 Å²	26.1	37%	0.365	14%	0.135	S	C	.	.	S	Bend	trans	-85.1	124.5	173.2	-65.4	-175.3	177.5	-173.6	0	108.3	L447 S877 N881 E883	L447-K879 HydrophobicContact CD1-CG 4.44Å; S877-K879 VanDerWaalsContact C-N 3.3Å; S877-K879 PolarHBondContact OG-N 3.22Å; S877-K879 PolarHBondContact OG-O 3.41Å; K879-N881 PolarHBondContact O-N 3.29Å; K879-E883 IonicContact NZ-OE2 3.73Å; K879-E883 PolarHBondContact NZ-OE2 3.1Å
880	P	87	Confident	87.6	Confident	85 Å²	85	27.7 Å²	27.7	55%	0.552	14%	0.141	S	C	*	.	S	Bend	trans	-79.3	52.7	178.5	34.8	-36.3	0	0	0	110.8	K692	K692-P880 WeakPolarHBondContact CE-O 3.2Å; K692-P880 PolarHBondContact NZ-O 3.04Å
881	N	91.1	Very high	89.3	Confident	14 Å²	14	26.9 Å²	26.9	8%	0.075	14%	0.135	C	C	.	.	S	Bend	trans	-147.5	166.8	175.7	71.8	19	0	0	0	111	E694 L864 K879 E883	E694-N881 PolarHBondContact OE1-ND2 2.81Å; L864-N881 VanDerWaalsContact CD2-O 3.24Å; L864-N881 WeakPolarHBondContact CD2-O 3.31Å; K879-N881 PolarHBondContact O-N 3.29Å; N881-E883 VanDerWaalsContact C-N 3.33Å; N881-E883 PolarHBondContact O-N 3.34Å; N881-E883 PolarHBondContact OD1-N 2.82Å
882	I	95	Very high	90.5	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.5	6.6	-173	63.9	161	0	0	0	114.8	F467 T472 L473 T695 V698 I699 L864 C884 V885	F467-I882 HydrophobicContact CD1-CD1 4.42Å; F467-I882 HydrophobicContact CD1-CG2 3.99Å; F467-I882 HydrophobicContact CE1-CB 4.01Å; F467-I882 HydrophobicContact CE1-CD1 3.85Å; F467-I882 HydrophobicContact CE1-CG2 3.91Å; F467-I882 HydrophobicContact CZ-CD1 4.25Å; T472-I882 HydrophobicContact CG2-CG2 3.88Å; L473-I882 HydrophobicContact CD2-CD1 3.83Å; L473-I882 HydrophobicContact CD2-CG2 4.49Å; T695-I882 HydrophobicContact CG2-CD1 4.2Å; V698-I882 HydrophobicContact CB-CD1 3.77Å; V698-I882 HydrophobicContact CB-CG1 3.94Å; V698-I882 HydrophobicContact CG1-CB 4.49Å; V698-I882 HydrophobicContact CG1-CD1 3.57Å; V698-I882 HydrophobicContact CG1-CG1 3.85Å; V698-I882 HydrophobicContact CG2-CG1 4.2Å; I699-I882 HydrophobicContact CD1-CD1 4.21Å; I699-I882 HydrophobicContact CG1-CD1 4.41Å; L864-I882 HydrophobicContact CD1-CG2 4.27Å; I882-C884 PolarHBondContact O-N 2.62Å; I882-V885 HydrophobicContact CB-CG2 4.33Å; I882-V885 WeakPolarHBondContact O-CB 2.83Å; I882-V885 WeakPolarHBondContact O-CG2 3.15Å; I882-V885 PolarHBondContact O-N 3.23Å; I882-V885 VanDerWaalsContact O-N 3.1Å
883	E	94.9	Very high	91.8	Very high	71 Å²	71	23.5 Å²	23.5	33%	0.332	12%	0.117	S	C	.	.	H	α-helix	trans	-57.1	-36.1	178.4	-67.5	-171.4	140.5	0	0	112.2	E694 V698 K879 N881 V885 I886	E694-E883 HydrophobicContact CB-CG 3.92Å; E694-E883 HydrophobicContact CG-CG 4.09Å; V698-E883 HydrophobicContact CG2-CG 4.31Å; K879-E883 IonicContact NZ-OE2 3.73Å; K879-E883 PolarHBondContact NZ-OE2 3.1Å; N881-E883 VanDerWaalsContact C-N 3.33Å; N881-E883 PolarHBondContact O-N 3.34Å; N881-E883 PolarHBondContact OD1-N 2.82Å; E883-V885 PolarHBondContact O-N 3.1Å; E883-V885 VanDerWaalsContact O-N 3.08Å; E883-I886 PolarHBondContact O-N 3.05Å; E883-I886 VanDerWaalsContact O-N 3.11Å
884	C	94.3	Very high	92.4	Very high	4 Å²	4	23.4 Å²	23.4	3%	0.027	12%	0.117	C	C	.	.	H	α-helix	trans	-56.3	-26.5	179.6	61.3	0	0	0	0	113	V448 I882 I886 D887 V888	V448-C884 HydrophobicContact CG2-CB 3.68Å; I882-C884 PolarHBondContact O-N 2.62Å; C884-I886 VanDerWaalsContact C-N 3.34Å; C884-I886 PolarHBondContact O-N 2.73Å; C884-D887 PolarHBondContact O-N 3.28Å; C884-V888 WeakPolarHBondContact O-CB 3.15Å; C884-V888 VanDerWaalsContact O-CG2 3.27Å; C884-V888 WeakPolarHBondContact O-CG2 3.49Å; C884-V888 PolarHBondContact O-N 2.81Å
885	V	96.2	Very high	92.8	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-61.1	-42.8	178.4	178.4	0	0	0	0	111.1	V465 F467 L702 C845 I862 I882 E883 I889	V465-V885 HydrophobicContact CG1-CG1 4.06Å; V465-V885 HydrophobicContact CG2-CG1 4.12Å; F467-V885 HydrophobicContact CE1-CG2 3.99Å; F467-V885 HydrophobicContact CZ-CG1 4.42Å; F467-V885 HydrophobicContact CZ-CG2 4.45Å; L702-V885 HydrophobicContact CD1-CG1 4.33Å; L702-V885 HydrophobicContact CD2-CG1 4.39Å; C845-V885 HydrophobicContact CB-CG2 4.21Å; I862-V885 HydrophobicContact CD1-CB 4.4Å; I862-V885 HydrophobicContact CD1-CG2 3.92Å; I882-V885 HydrophobicContact CB-CG2 4.33Å; I882-V885 WeakPolarHBondContact O-CB 2.83Å; I882-V885 WeakPolarHBondContact O-CG2 3.15Å; I882-V885 PolarHBondContact O-N 3.23Å; I882-V885 VanDerWaalsContact O-N 3.1Å; E883-V885 PolarHBondContact O-N 3.1Å; E883-V885 VanDerWaalsContact O-N 3.08Å; V885-I889 HydrophobicContact CG1-CD1 3.78Å; V885-I889 WeakPolarHBondContact O-CD1 3.39Å; V885-I889 WeakPolarHBondContact O-CG1 3.14Å; V885-I889 PolarHBondContact O-N 2.9Å; V885-I889 VanDerWaalsContact O-N 3.08Å
886	I	95.4	Very high	92.7	Very high	35 Å²	35	22.8 Å²	22.8	18%	0.179	11%	0.113	C	C	.	.	H	α-helix	trans	-66.4	-43.6	178	-61.3	176.5	0	0	0	110	V698 A701 E883 C884 I889 R890	V698-I886 HydrophobicContact CB-CD1 4.23Å; V698-I886 HydrophobicContact CG1-CD1 4.03Å; V698-I886 HydrophobicContact CG1-CG1 4.05Å; V698-I886 HydrophobicContact CG2-CD1 3.97Å; A701-I886 HydrophobicContact CB-CD1 3.62Å; E883-I886 PolarHBondContact O-N 3.05Å; E883-I886 VanDerWaalsContact O-N 3.11Å; C884-I886 VanDerWaalsContact C-N 3.34Å; C884-I886 PolarHBondContact O-N 2.73Å; I886-I889 PolarHBondContact O-N 3.32Å; I886-R890 WeakPolarHBondContact O-CB 3.21Å; I886-R890 PolarHBondContact O-N 3.41Å
887	D	94.6	Very high	92.8	Very high	20 Å²	20	23.4 Å²	23.4	11%	0.107	12%	0.117	C	C	.	.	H	α-helix	trans	-60.3	-46.4	179.3	-77.5	-29.9	0	0	0	111.9	L443 R446 C884 R890 E891	L443-D887 HydrophobicContact CD2-CB 4.33Å; R446-D887 IonicContact CZ-OD1 3.05Å; R446-D887 IonicContact NE-OD1 3.19Å; R446-D887 IonicContact NH1-OD1 2.6Å; R446-D887 PolarHBondContact NH1-OD1 2.84Å; R446-D887 IonicContact NH1-OD2 3.31Å; C884-D887 PolarHBondContact O-N 3.28Å; D887-R890 PolarHBondContact O-N 2.86Å; D887-R890 IonicContact OD1-CZ 3.94Å; D887-R890 IonicContact OD1-NE 3.72Å; D887-R890 IonicContact OD1-NH2 3.24Å; D887-R890 PolarHBondContact OD1-NH2 3.04Å; D887-E891 WeakPolarHBondContact O-CB 3.37Å; D887-E891 PolarHBondContact O-N 3.03Å
888	V	95.3	Very high	92.8	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-62.8	-45.6	178.2	170.7	0	0	0	0	111.5	L443 V448 C459 I862 F875 C884 G892	L443-V888 HydrophobicContact CD2-CG2 4.36Å; V448-V888 HydrophobicContact CG1-CG2 3.83Å; C459-V888 HydrophobicContact CB-CG1 4.05Å; C459-V888 VanDerWaalsContact SG-CG1 3.58Å; I862-V888 HydrophobicContact CD1-CB 4.24Å; I862-V888 HydrophobicContact CD1-CG1 4.29Å; I862-V888 HydrophobicContact CD1-CG2 4.24Å; F875-V888 HydrophobicContact CD1-CG2 4.35Å; F875-V888 HydrophobicContact CD2-CG1 4.23Å; F875-V888 HydrophobicContact CE1-CG1 4.43Å; F875-V888 HydrophobicContact CE2-CG1 4.11Å; F875-V888 HydrophobicContact CG-CG1 4.48Å; F875-V888 HydrophobicContact CG-CG2 4.41Å; F875-V888 HydrophobicContact CZ-CG1 4.22Å; C884-V888 WeakPolarHBondContact O-CB 3.15Å; C884-V888 VanDerWaalsContact O-CG2 3.27Å; C884-V888 WeakPolarHBondContact O-CG2 3.49Å; C884-V888 PolarHBondContact O-N 2.81Å; V888-G892 PolarHBondContact O-N 2.92Å
889	I	95.7	Very high	92.9	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-68.2	-42	-179.9	-61.9	165.3	0	0	0	110.4	I462 V465 L702 I707 V885 I886 G892 R893 L956	I462-I889 HydrophobicContact CB-CG1 4.31Å; I462-I889 HydrophobicContact CD1-CG1 3.79Å; I462-I889 HydrophobicContact CG2-CD1 4.05Å; I462-I889 HydrophobicContact CG2-CG1 4.28Å; V465-I889 HydrophobicContact CG2-CD1 4.16Å; L702-I889 HydrophobicContact CD2-CD1 3.8Å; I707-I889 HydrophobicContact CD1-CD1 3.9Å; I707-I889 HydrophobicContact CD1-CG2 3.97Å; V885-I889 HydrophobicContact CG1-CD1 3.78Å; V885-I889 WeakPolarHBondContact O-CD1 3.39Å; V885-I889 WeakPolarHBondContact O-CG1 3.14Å; V885-I889 PolarHBondContact O-N 2.9Å; V885-I889 VanDerWaalsContact O-N 3.08Å; I886-I889 PolarHBondContact O-N 3.32Å; I889-G892 PolarHBondContact O-N 2.95Å; I889-R893 HydrophobicContact CG2-CG 4.41Å; I889-R893 WeakPolarHBondContact O-CB 3.23Å; I889-R893 VanDerWaalsContact O-CG 3.29Å; I889-R893 WeakPolarHBondContact O-CG 3.5Å; I889-R893 PolarHBondContact O-N 2.89Å; I889-L956 HydrophobicContact CB-CD1 4.39Å; I889-L956 HydrophobicContact CG2-CD1 3.79Å; I889-L956 HydrophobicContact CG2-CD2 4.39Å
890	R	94.5	Very high	92.9	Very high	34 Å²	34	15 Å²	15	13%	0.128	8%	0.08	C	C	.	.	H	α-helix	trans	-61.6	-51.6	178.7	169.7	172.4	57.3	173.1	10.2	111.7	R446 I886 D887 G892 R893 A894 A952 S953 E954 L956	R446-R890 VanDerWaalsContact CZ-NH2 3.25Å; R446-R890 VanDerWaalsContact NH1-NH2 3.15Å; I886-R890 WeakPolarHBondContact O-CB 3.21Å; I886-R890 PolarHBondContact O-N 3.41Å; D887-R890 PolarHBondContact O-N 2.86Å; D887-R890 IonicContact OD1-CZ 3.94Å; D887-R890 IonicContact OD1-NE 3.72Å; D887-R890 IonicContact OD1-NH2 3.24Å; D887-R890 PolarHBondContact OD1-NH2 3.04Å; R890-G892 VanDerWaalsContact C-N 3.31Å; R890-G892 PolarHBondContact O-N 2.98Å; R890-R893 PolarHBondContact O-N 3.24Å; R890-A894 PolarHBondContact O-N 2.85Å; R890-A894 VanDerWaalsContact O-N 3.08Å; R890-A952 HydrophobicContact CG-CB 3.52Å; R890-S953 WeakPolarHBondContact CD-O 2.87Å; R890-S953 WeakPolarHBondContact CG-O 3.16Å; R890-E954 PolarHBondContact NH1-O 3.33Å; R890-L956 HydrophobicContact CB-CD1 4.43Å
891	E	94.3	Very high	93.1	Very high	5 Å²	5	11.2 Å²	11.2	2%	0.023	6%	0.056	C	C	.	.	H	α-helix	trans	-65.5	-36.3	176.4	-74.9	-68	167.2	0	0	111.4	R442 L443 D887 R893 A894 A895 A952	R442-E891 IonicContact CZ-OE2 3.31Å; R442-E891 VanDerWaalsContact CZ-OE2 3.3Å; R442-E891 IonicContact NE-OE1 3.17Å; R442-E891 PolarHBondContact NE-OE1 3.09Å; R442-E891 VanDerWaalsContact NE-OE1 3.11Å; R442-E891 IonicContact NE-OE2 3.8Å; R442-E891 PolarHBondContact NE-OE2 3.39Å; R442-E891 IonicContact NH2-OE2 3.66Å; R442-E891 PolarHBondContact NH2-OE2 3.38Å; L443-E891 HydrophobicContact CD1-CB 4.31Å; L443-E891 HydrophobicContact CD2-CB 4.01Å; L443-E891 HydrophobicContact CD2-CG 3.87Å; L443-E891 HydrophobicContact CG-CB 4.05Å; L443-E891 HydrophobicContact CG-CG 4.04Å; D887-E891 WeakPolarHBondContact O-CB 3.37Å; D887-E891 PolarHBondContact O-N 3.03Å; E891-R893 PolarHBondContact O-N 2.99Å; E891-A894 PolarHBondContact O-N 3Å; E891-A895 VanDerWaalsContact O-CB 3.26Å; E891-A895 WeakPolarHBondContact O-CB 3.19Å; E891-A895 PolarHBondContact O-N 2.91Å; E891-A952 HydrophobicContact CG-CB 4.46Å
892	G	93.1	Very high	93.1	Very high	0 Å²	0	10.6 Å²	10.6	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-62.4	-42.2	174.6	0	0	0	0	0	113.5	L456 G460 V888 I889 R890 A895 L896	L456-G892 WeakPolarHBondContact O-CA 3.43Å; G460-G892 VanDerWaalsContact CA-C 3.48Å; V888-G892 PolarHBondContact O-N 2.92Å; I889-G892 PolarHBondContact O-N 2.95Å; R890-G892 VanDerWaalsContact C-N 3.31Å; R890-G892 PolarHBondContact O-N 2.98Å; G892-A895 PolarHBondContact O-N 3.2Å; G892-L896 WeakPolarHBondContact O-CB 3.24Å; G892-L896 PolarHBondContact O-N 3.33Å
893	R	93.2	Very high	92.8	Very high	5 Å²	5	10.7 Å²	10.7	2%	0.019	5%	0.054	C	C	.	.	H	α-helix	trans	-65.7	-38.8	175.1	-72.9	177.8	175	-177.1	-5.5	112	G460 I889 R890 E891 T897 A957 P961 H1039	G460-R893 WeakPolarHBondContact O-CG 3.19Å; I889-R893 HydrophobicContact CG2-CG 4.41Å; I889-R893 WeakPolarHBondContact O-CB 3.23Å; I889-R893 VanDerWaalsContact O-CG 3.29Å; I889-R893 WeakPolarHBondContact O-CG 3.5Å; I889-R893 PolarHBondContact O-N 2.89Å; R890-R893 PolarHBondContact O-N 3.24Å; E891-R893 PolarHBondContact O-N 2.99Å; R893-T897 WeakPolarHBondContact O-CB 3.34Å; R893-T897 PolarHBondContact O-N 3.33Å; R893-T897 PolarHBondContact O-OG1 3.08Å; R893-A957 PolarHBondContact NH1-O 3.36Å; R893-P961 HydrophobicContact CB-CG 4.17Å; R893-P961 HydrophobicContact CG-CG 4.12Å; R893-H1039 HydrophobicContact CB-CB 4.37Å
894	A	93.1	Very high	92.6	Very high	0 Å²	0	8.8 Å²	8.8	0%	0	4%	0.044	C	C	.	.	H	α-helix	trans	-66.7	-45.9	174.7	0	0	0	0	0	111.9	R890 E891 L896 T897 T898 A952 R1040	R890-A894 PolarHBondContact O-N 2.85Å; R890-A894 VanDerWaalsContact O-N 3.08Å; E891-A894 PolarHBondContact O-N 3Å; A894-L896 PolarHBondContact O-N 3.17Å; A894-T897 PolarHBondContact O-N 2.69Å; A894-T898 WeakPolarHBondContact O-CB 3.2Å; A894-T898 PolarHBondContact O-N 3.04Å; A894-T898 PolarHBondContact O-OG1 2.86Å; A894-T898 VanDerWaalsContact O-OG1 3.09Å; A894-A952 HydrophobicContact CB-CB 3.48Å; A894-A952 VanDerWaalsContact CB-CB 3.48Å; A894-R1040 HydrophobicContact CB-CG 4.01Å
895	A	91.7	Very high	92.6	Very high	1 Å²	1	8.6 Å²	8.6	1%	0.008	4%	0.043	C	C	.	.	H	α-helix	trans	-61.7	-42.6	177.8	0	0	0	0	0	111.7	A439 L456 N457 E891 G892 T898 S899	A439-A895 HydrophobicContact CB-CB 4.1Å; L456-A895 HydrophobicContact CD2-CB 4.24Å; L456-A895 HydrophobicContact CG-CB 4.07Å; N457-A895 WeakPolarHBondContact OD1-CB 3.49Å; N457-A895 PolarHBondContact OD1-O 3.42Å; E891-A895 VanDerWaalsContact O-CB 3.26Å; E891-A895 WeakPolarHBondContact O-CB 3.19Å; E891-A895 PolarHBondContact O-N 2.91Å; G892-A895 PolarHBondContact O-N 3.2Å; A895-T898 WeakPolarHBondContact O-CB 3.49Å; A895-T898 PolarHBondContact O-N 3.48Å; A895-S899 VanDerWaalsContact O-CB 3.26Å; A895-S899 WeakPolarHBondContact O-CB 3.5Å; A895-S899 PolarHBondContact O-N 2.96Å; A895-S899 PolarHBondContact O-OG 3.13Å
896	L	89.9	Confident	92.4	Very high	0 Å²	0	8.7 Å²	8.7	0%	0	4%	0.043	C	C	.	.	H	α-helix	trans	-65.5	-44.7	176.1	-171	59	0	0	0	111.2	F374 F376 N457 G892 A894 T898 S899 F900 P961 V963	F374-L896 HydrophobicContact CE1-CD1 4.04Å; F374-L896 HydrophobicContact CZ-CD1 4.11Å; F374-L896 HydrophobicContact CZ-CD2 4.29Å; F376-L896 HydrophobicContact CD2-CD1 4.23Å; N457-L896 HydrophobicContact CB-CD1 4.16Å; N457-L896 PolarHBondContact OD1-N 2.84Å; G892-L896 WeakPolarHBondContact O-CB 3.24Å; G892-L896 PolarHBondContact O-N 3.33Å; A894-L896 PolarHBondContact O-N 3.17Å; L896-T898 VanDerWaalsContact C-N 3.31Å; L896-T898 PolarHBondContact O-N 2.79Å; L896-S899 WeakPolarHBondContact O-CB 3.33Å; L896-S899 PolarHBondContact O-N 2.91Å; L896-F900 HydrophobicContact CD1-CD2 3.96Å; L896-F900 HydrophobicContact CD1-CE2 3.76Å; L896-F900 HydrophobicContact CG-CD2 4.09Å; L896-F900 HydrophobicContact CG-CE2 4.02Å; L896-F900 WeakPolarHBondContact O-CD2 3.48Å; L896-F900 PolarHBondContact O-N 3.03Å; L896-P961 HydrophobicContact CB-CG 4.4Å; L896-P961 HydrophobicContact CD2-CG 4.04Å; L896-P961 HydrophobicContact CG-CG 4.49Å; L896-V963 HydrophobicContact CD2-CG2 4.41Å
897	T	90.9	Very high	92.2	Very high	27 Å²	27	7.1 Å²	7.1	17%	0.166	4%	0.035	C	C	.	.	H	α-helix	trans	-61.6	-40.9	176.5	-55.3	0	0	0	0	111.6	R893 A894 F900 G901 H1039 R1040	R893-T897 WeakPolarHBondContact O-CB 3.34Å; R893-T897 PolarHBondContact O-N 3.33Å; R893-T897 PolarHBondContact O-OG1 3.08Å; A894-T897 PolarHBondContact O-N 2.69Å; T897-F900 PolarHBondContact O-N 3.34Å; T897-G901 PolarHBondContact O-N 3.13Å; T897-H1039 WeakPolarHBondContact OG1-CB 3.43Å; T897-H1039 PolarHBondContact OG1-CD2 2.97Å; T897-R1040 HydrophobicContact CG2-CG 4.39Å
898	T	91.8	Very high	92.1	Very high	2 Å²	2	6.4 Å²	6.4	1%	0.012	3%	0.033	C	C	.	.	H	α-helix	trans	-61.7	-48.2	173.9	-72	0	0	0	0	111.4	A894 A895 L896 F900 G901 V902 F947 R1040	A894-T898 WeakPolarHBondContact O-CB 3.2Å; A894-T898 PolarHBondContact O-N 3.04Å; A894-T898 PolarHBondContact O-OG1 2.86Å; A894-T898 VanDerWaalsContact O-OG1 3.09Å; A895-T898 WeakPolarHBondContact O-CB 3.49Å; A895-T898 PolarHBondContact O-N 3.48Å; L896-T898 VanDerWaalsContact C-N 3.31Å; L896-T898 PolarHBondContact O-N 2.79Å; T898-F900 VanDerWaalsContact C-N 3.33Å; T898-F900 PolarHBondContact O-N 3.42Å; T898-G901 PolarHBondContact O-N 3.42Å; T898-G901 VanDerWaalsContact O-N 3.13Å; T898-V902 HydrophobicContact CG2-CG2 4.22Å; T898-V902 WeakPolarHBondContact O-CG2 3.42Å; T898-V902 PolarHBondContact O-N 3.16Å; T898-F947 HydrophobicContact CG2-CD1 4.22Å; T898-F947 HydrophobicContact CG2-CE1 4.4Å; T898-R1040 WeakPolarHBondContact OG1-CD 3.47Å; T898-R1040 PolarHBondContact OG1-NH1 2.81Å
899	S	89.2	Confident	92.1	Very high	1 Å²	1	6.7 Å²	6.7	1%	0.007	3%	0.034	C	C	.	.	H	α-helix	trans	-56.4	-45.2	177.5	-71.7	0	0	0	0	111.8	N457 A895 L896 F903	N457-S899 PolarHBondContact ND2-OG 3.06Å; N457-S899 PolarHBondContact OD1-OG 3.24Å; A895-S899 VanDerWaalsContact O-CB 3.26Å; A895-S899 WeakPolarHBondContact O-CB 3.5Å; A895-S899 PolarHBondContact O-N 2.96Å; A895-S899 PolarHBondContact O-OG 3.13Å; L896-S899 WeakPolarHBondContact O-CB 3.33Å; L896-S899 PolarHBondContact O-N 2.91Å; S899-F903 VanDerWaalsContact O-CB 3.22Å; S899-F903 WeakPolarHBondContact O-CB 3.41Å; S899-F903 PolarHBondContact O-N 2.83Å
900	F	89.2	Confident	91.9	Very high	11 Å²	11	6.7 Å²	6.7	5%	0.048	3%	0.034	C	C	.	.	H	α-helix	trans	-63.6	-44.5	173.7	-91.7	-103.4	0	0	0	112.9	F376 L896 T897 T898 F903 K904 P962 R964 I965	F376-F900 AromaticContact CD2-CD2 3.87Å; F376-F900 HydrophobicContact CD2-CD2 3.87Å; F376-F900 AromaticContact CD2-CE2 3.33Å; F376-F900 HydrophobicContact CD2-CE2 3.33Å; F376-F900 AromaticContact CD2-CZ 3.86Å; F376-F900 HydrophobicContact CD2-CZ 3.86Å; F376-F900 AromaticContact CE2-CD2 3.51Å; F376-F900 HydrophobicContact CE2-CD2 3.51Å; F376-F900 AromaticContact CE2-CE2 3.49Å; F376-F900 HydrophobicContact CE2-CE2 3.49Å; F376-F900 VanDerWaalsContact CE2-CE2 3.49Å; F376-F900 HydrophobicContact CE2-CG 4.16Å; F376-F900 HydrophobicContact CE2-CZ 4.13Å; L896-F900 HydrophobicContact CD1-CD2 3.96Å; L896-F900 HydrophobicContact CD1-CE2 3.76Å; L896-F900 HydrophobicContact CG-CD2 4.09Å; L896-F900 HydrophobicContact CG-CE2 4.02Å; L896-F900 WeakPolarHBondContact O-CD2 3.48Å; L896-F900 PolarHBondContact O-N 3.03Å; T897-F900 PolarHBondContact O-N 3.34Å; T898-F900 VanDerWaalsContact C-N 3.33Å; T898-F900 PolarHBondContact O-N 3.42Å; F900-F903 PolarHBondContact O-N 3.19Å; F900-K904 WeakPolarHBondContact O-CG 3.38Å; F900-K904 PolarHBondContact O-N 2.74Å; F900-P962 HydrophobicContact CD1-CG 4.34Å; F900-P962 HydrophobicContact CE1-CB 4.29Å; F900-P962 HydrophobicContact CE1-CG 4.09Å; F900-P962 WeakPolarHBondContact CE2-O 3.39Å; F900-P962 HydrophobicContact CZ-CB 4.36Å; F900-P962 HydrophobicContact CZ-CG 4.37Å; F900-P962 WeakPolarHBondContact CZ-O 3.13Å; F900-R964 WeakPolarHBondContact CE1-O 3.49Å; F900-I965 HydrophobicContact CE1-CB 4.29Å; F900-I965 HydrophobicContact CE1-CG1 4.04Å; F900-I965 HydrophobicContact CE2-CG1 4.44Å; F900-I965 HydrophobicContact CZ-CG1 3.93Å
901	G	91.1	Very high	91.9	Very high	5 Å²	5	5.4 Å²	5.4	5%	0.052	3%	0.03	C	C	.	.	H	α-helix	trans	-64.2	-47	179.9	0	0	0	0	0	112.6	T897 T898 F903 K904 Y905	T897-G901 PolarHBondContact O-N 3.13Å; T898-G901 PolarHBondContact O-N 3.42Å; T898-G901 VanDerWaalsContact O-N 3.13Å; G901-F903 VanDerWaalsContact C-N 3.34Å; G901-F903 PolarHBondContact O-N 3.26Å; G901-K904 PolarHBondContact O-N 3.15Å; G901-Y905 VanDerWaalsContact O-CB 3.29Å; G901-Y905 WeakPolarHBondContact O-CB 3.4Å; G901-Y905 PolarHBondContact O-N 2.88Å
902	V	91.3	Very high	91.9	Very high	1 Å²	1	5.2 Å²	5.2	1%	0.006	3%	0.029	C	C	.	.	H	α-helix	trans	-58.7	-48.3	174.2	171.7	0	0	0	0	109.6	A431 M432 T898 K904 Y905 M906 F947	A431-V902 HydrophobicContact CB-CG1 3.64Å; M432-V902 HydrophobicContact SD-CB 4.11Å; M432-V902 HydrophobicContact SD-CG1 3.96Å; T898-V902 HydrophobicContact CG2-CG2 4.22Å; T898-V902 WeakPolarHBondContact O-CG2 3.42Å; T898-V902 PolarHBondContact O-N 3.16Å; V902-K904 PolarHBondContact O-N 3.48Å; V902-Y905 WeakPolarHBondContact O-CB 3.45Å; V902-Y905 PolarHBondContact O-N 3.15Å; V902-M906 HydrophobicContact CG1-CG 4.04Å; V902-M906 WeakPolarHBondContact O-CB 3.45Å; V902-M906 VanDerWaalsContact O-CG 3.25Å; V902-M906 WeakPolarHBondContact O-CG 3.25Å; V902-M906 PolarHBondContact O-N 2.95Å; V902-F947 HydrophobicContact CG2-CD1 3.3Å; V902-F947 HydrophobicContact CG2-CE1 3.65Å; V902-F947 HydrophobicContact CG2-CG 4.07Å
903	F	89.4	Confident	92	Very high	2 Å²	2	5.5 Å²	5.5	1%	0.009	3%	0.03	C	C	.	.	H	α-helix	trans	-58.9	-49.6	179.4	173.5	-100.3	0	0	0	113.1	L380 F383 L428 M432 S899 F900 G901 Y905 M906 A907 I965	L380-F903 HydrophobicContact CD1-CD2 3.48Å; L380-F903 VanDerWaalsContact CD1-CD2 3.48Å; L380-F903 HydrophobicContact CD1-CE2 3.15Å; L380-F903 HydrophobicContact CD1-CZ 4.07Å; F383-F903 HydrophobicContact CB-CZ 3.9Å; F383-F903 AromaticContact CD1-CE1 3.88Å; F383-F903 HydrophobicContact CD1-CE1 3.88Å; F383-F903 HydrophobicContact CD1-CE2 4.06Å; F383-F903 AromaticContact CD1-CZ 3.17Å; F383-F903 HydrophobicContact CD1-CZ 3.17Å; F383-F903 HydrophobicContact CD2-CE1 4.47Å; F383-F903 HydrophobicContact CD2-CZ 4.35Å; F383-F903 HydrophobicContact CE1-CE1 4Å; F383-F903 AromaticContact CE1-CZ 3.66Å; F383-F903 HydrophobicContact CE1-CZ 3.66Å; F383-F903 HydrophobicContact CG-CE1 4.08Å; F383-F903 AromaticContact CG-CZ 3.54Å; F383-F903 HydrophobicContact CG-CZ 3.54Å; F383-F903 HydrophobicContact CZ-CE1 4.45Å; F383-F903 HydrophobicContact CZ-CZ 4.48Å; L428-F903 HydrophobicContact CD1-CD2 3.96Å; L428-F903 HydrophobicContact CD2-CD2 4.27Å; L428-F903 HydrophobicContact CD2-CE2 4.29Å; M432-F903 HydrophobicContact SD-CB 4.13Å; S899-F903 VanDerWaalsContact O-CB 3.22Å; S899-F903 WeakPolarHBondContact O-CB 3.41Å; S899-F903 PolarHBondContact O-N 2.83Å; F900-F903 PolarHBondContact O-N 3.19Å; G901-F903 VanDerWaalsContact C-N 3.34Å; G901-F903 PolarHBondContact O-N 3.26Å; F903-Y905 VanDerWaalsContact C-N 3.26Å; F903-Y905 PolarHBondContact O-N 3.19Å; F903-M906 PolarHBondContact O-N 2.79Å; F903-A907 WeakPolarHBondContact O-CB 3.3Å; F903-A907 PolarHBondContact O-N 3.48Å; F903-I965 HydrophobicContact CD1-CG2 3.67Å; F903-I965 HydrophobicContact CE1-CG2 3.22Å; F903-I965 HydrophobicContact CZ-CG2 3.9Å
904	K	90.8	Very high	92	Very high	31 Å²	31	5.8 Å²	5.8	14%	0.135	3%	0.032	C	C	.	.	H	α-helix	trans	-60.3	-40.3	176.9	-73.1	-174.5	-171.3	-172	0	111.4	F900 G901 V902 G908 L974 Y1033 E1104	F900-K904 WeakPolarHBondContact O-CG 3.38Å; F900-K904 PolarHBondContact O-N 2.74Å; G901-K904 PolarHBondContact O-N 3.15Å; V902-K904 PolarHBondContact O-N 3.48Å; K904-G908 WeakPolarHBondContact O-CA 3.33Å; K904-G908 PolarHBondContact O-N 3.01Å; K904-L974 HydrophobicContact CB-CD2 4.24Å; K904-L974 WeakPolarHBondContact O-CD2 3.31Å; K904-Y1033 HydrophobicContact CB-CD1 3.87Å; K904-Y1033 HydrophobicContact CB-CD2 3.94Å; K904-Y1033 HydrophobicContact CB-CE1 4.02Å; K904-Y1033 HydrophobicContact CB-CE2 4.03Å; K904-Y1033 HydrophobicContact CB-CG 3.84Å; K904-Y1033 HydrophobicContact CD-CD1 3.73Å; K904-Y1033 HydrophobicContact CD-CE1 3.82Å; K904-Y1033 HydrophobicContact CD-CG 4.46Å; K904-Y1033 WeakPolarHBondContact O-CE2 3.45Å; K904-E1104 IonicContact NZ-OE1 3.77Å
905	Y	93.8	Very high	92	Very high	1 Å²	1	6.8 Å²	6.8	0%	0.004	4%	0.037	C	C	.	.	H	α-helix	trans	-62.2	-48.3	175.8	174.1	-117	0	0	0	111.8	G901 V902 F903 A907 G908 Y909 I940 F943 Y1026 L1029 V1030	G901-Y905 VanDerWaalsContact O-CB 3.29Å; G901-Y905 WeakPolarHBondContact O-CB 3.4Å; G901-Y905 PolarHBondContact O-N 2.88Å; V902-Y905 WeakPolarHBondContact O-CB 3.45Å; V902-Y905 PolarHBondContact O-N 3.15Å; F903-Y905 VanDerWaalsContact C-N 3.26Å; F903-Y905 PolarHBondContact O-N 3.19Å; Y905-A907 PolarHBondContact O-N 3.27Å; Y905-G908 PolarHBondContact O-N 2.92Å; Y905-Y909 WeakPolarHBondContact O-CD1 3.31Å; Y905-Y909 PolarHBondContact O-N 2.88Å; Y905-I940 HydrophobicContact CE1-CD1 4.5Å; Y905-I940 HydrophobicContact CE1-CG2 4.07Å; Y905-I940 HydrophobicContact CE2-CD1 4.43Å; Y905-I940 WeakPolarHBondContact OH-CD1 3.31Å; Y905-F943 HydrophobicContact CE1-CB 4.3Å; Y905-F943 VanDerWaalsContact OH-CD2 3.3Å; Y905-F943 WeakPolarHBondContact OH-CD2 3.33Å; Y905-Y1026 WeakPolarHBondContact CE2-O 3.18Å; Y905-L1029 HydrophobicContact CD2-CB 3.98Å; Y905-L1029 HydrophobicContact CE2-CB 4.16Å; Y905-V1030 HydrophobicContact CD1-CG2 4.31Å; Y905-V1030 HydrophobicContact CD2-CB 3.82Å; Y905-V1030 HydrophobicContact CD2-CG2 4.12Å; Y905-V1030 HydrophobicContact CE1-CB 4.49Å; Y905-V1030 HydrophobicContact CE1-CG2 4.16Å; Y905-V1030 HydrophobicContact CE2-CB 3.49Å; Y905-V1030 VanDerWaalsContact CE2-CB 3.49Å; Y905-V1030 HydrophobicContact CE2-CG2 4Å; Y905-V1030 HydrophobicContact CG-CB 4.46Å; Y905-V1030 HydrophobicContact CG-CG2 4.26Å
906	M	91.9	Very high	92.2	Very high	1 Å²	1	6.7 Å²	6.7	1%	0.005	4%	0.037	C	C	.	.	H	α-helix	trans	-60.9	-44.4	178.9	-66.1	-51.5	-106.6	0	0	112.3	P425 A427 L428 A431 V902 F903 Y909 S910 I940 S944	P425-M906 HydrophobicContact CG-CB 4.14Å; A427-M906 HydrophobicContact CB-CE 3.61Å; L428-M906 HydrophobicContact CD1-CB 3.66Å; L428-M906 HydrophobicContact CD1-CG 3.81Å; A431-M906 HydrophobicContact CB-CE 3.71Å; A431-M906 HydrophobicContact CB-CG 4.45Å; A431-M906 HydrophobicContact CB-SD 4.38Å; V902-M906 HydrophobicContact CG1-CG 4.04Å; V902-M906 WeakPolarHBondContact O-CB 3.45Å; V902-M906 VanDerWaalsContact O-CG 3.25Å; V902-M906 WeakPolarHBondContact O-CG 3.25Å; V902-M906 PolarHBondContact O-N 2.95Å; F903-M906 PolarHBondContact O-N 2.79Å; M906-Y909 VanDerWaalsContact CA-CD1 3.42Å; M906-Y909 HydrophobicContact CB-CD1 4.45Å; M906-Y909 HydrophobicContact CB-CE1 4.09Å; M906-Y909 HydrophobicContact CE-CE1 4.21Å; M906-Y909 HydrophobicContact CG-CE1 4.41Å; M906-Y909 WeakPolarHBondContact O-CD1 3.5Å; M906-Y909 WeakPolarHBondContact O-CE1 3.47Å; M906-Y909 HydrophobicContact SD-CD1 4.07Å; M906-Y909 HydrophobicContact SD-CE1 3.54Å; M906-Y909 VanDerWaalsContact SD-CE1 3.54Å; M906-S910 WeakPolarHBondContact O-CB 3.37Å; M906-S910 PolarHBondContact O-N 3.02Å; M906-S910 PolarHBondContact O-OG 3.13Å; M906-I940 HydrophobicContact CE-CG2 4.38Å; M906-I940 HydrophobicContact SD-CG2 3.95Å; M906-S944 PolarHBondContact SD-OG 2.78Å
907	A	90.8	Very high	92.3	Very high	2 Å²	2	6.7 Å²	6.7	2%	0.017	4%	0.037	C	C	.	.	H	α-helix	trans	-69.3	-38.8	174.9	0	0	0	0	0	112.4	F383 L387 F903 Y905 S910 L911 L974	F383-A907 HydrophobicContact CE1-CB 3.92Å; L387-A907 HydrophobicContact CD1-CB 4.3Å; F903-A907 WeakPolarHBondContact O-CB 3.3Å; F903-A907 PolarHBondContact O-N 3.48Å; Y905-A907 PolarHBondContact O-N 3.27Å; A907-S910 PolarHBondContact O-OG 3.3Å; A907-S910 VanDerWaalsContact O-OG 3.11Å; A907-L911 VanDerWaalsContact O-CB 3.31Å; A907-L911 WeakPolarHBondContact O-CB 3.37Å; A907-L911 WeakPolarHBondContact O-CG 3.3Å; A907-L911 PolarHBondContact O-N 3.06Å; A907-L974 HydrophobicContact CB-CD1 4.28Å; A907-L974 HydrophobicContact CB-CD2 4.16Å
908	G	93.6	Very high	92.4	Very high	6 Å²	6	6.2 Å²	6.2	6%	0.062	3%	0.034	C	C	.	.	H	α-helix	trans	-67.3	-44.3	-178.2	0	0	0	0	0	112.5	K904 Y905 T912	K904-G908 WeakPolarHBondContact O-CA 3.33Å; K904-G908 PolarHBondContact O-N 3.01Å; Y905-G908 PolarHBondContact O-N 2.92Å; G908-T912 WeakPolarHBondContact O-CB 3.37Å; G908-T912 PolarHBondContact O-N 3Å; G908-T912 PolarHBondContact O-OG1 3.41Å
909	Y	94.7	Very high	92.4	Very high	5 Å²	5	7.4 Å²	7.4	2%	0.02	4%	0.04	C	C	.	.	H	α-helix	trans	-68.3	-43.9	177.1	95.1	-100.6	0	0	0	110.6	P425 Y905 M906 L911 T912 Q913 I940	P425-Y909 HydrophobicContact CB-CE1 4.07Å; P425-Y909 WeakPolarHBondContact CB-OH 3.44Å; Y905-Y909 WeakPolarHBondContact O-CD1 3.31Å; Y905-Y909 PolarHBondContact O-N 2.88Å; M906-Y909 VanDerWaalsContact CA-CD1 3.42Å; M906-Y909 HydrophobicContact CB-CD1 4.45Å; M906-Y909 HydrophobicContact CB-CE1 4.09Å; M906-Y909 HydrophobicContact CE-CE1 4.21Å; M906-Y909 HydrophobicContact CG-CE1 4.41Å; M906-Y909 WeakPolarHBondContact O-CD1 3.5Å; M906-Y909 WeakPolarHBondContact O-CE1 3.47Å; M906-Y909 HydrophobicContact SD-CD1 4.07Å; M906-Y909 HydrophobicContact SD-CE1 3.54Å; M906-Y909 VanDerWaalsContact SD-CE1 3.54Å; Y909-L911 VanDerWaalsContact C-N 3.3Å; Y909-L911 PolarHBondContact O-N 3.25Å; Y909-T912 WeakPolarHBondContact O-CB 3.33Å; Y909-T912 PolarHBondContact O-N 2.78Å; Y909-Q913 WeakPolarHBondContact O-CB 3.35Å; Y909-Q913 PolarHBondContact O-N 2.89Å; Y909-I940 HydrophobicContact CD1-CD1 4.21Å; Y909-I940 HydrophobicContact CD1-CG1 4.4Å; Y909-I940 HydrophobicContact CD1-CG2 3.81Å; Y909-I940 HydrophobicContact CD2-CD1 3.92Å; Y909-I940 HydrophobicContact CD2-CG1 3.85Å; Y909-I940 HydrophobicContact CE1-CG2 3.61Å; Y909-I940 HydrophobicContact CE2-CG1 4.07Å; Y909-I940 HydrophobicContact CE2-CG2 4.31Å; Y909-I940 HydrophobicContact CG-CD1 3.72Å; Y909-I940 HydrophobicContact CG-CG1 4.05Å; Y909-I940 HydrophobicContact CG-CG2 4.3Å
910	S	92.8	Very high	92.5	Very high	0 Å²	0	7.4 Å²	7.4	0%	0	4%	0.04	C	C	.	.	H	α-helix	trans	-63.1	-39.8	-177.2	72.1	0	0	0	0	111.3	I422 C423 M906 A907 F914	I422-S910 WeakPolarHBondContact O-CB 3.45Å; C423-S910 PolarHBondContact O-OG 3.21Å; M906-S910 WeakPolarHBondContact O-CB 3.37Å; M906-S910 PolarHBondContact O-N 3.02Å; M906-S910 PolarHBondContact O-OG 3.13Å; A907-S910 PolarHBondContact O-OG 3.3Å; A907-S910 VanDerWaalsContact O-OG 3.11Å; S910-F914 WeakPolarHBondContact O-CB 3.32Å; S910-F914 PolarHBondContact O-N 2.71Å
911	L	92.8	Very high	92.5	Very high	7 Å²	7	7.4 Å²	7.4	4%	0.037	4%	0.04	C	C	.	.	H	α-helix	trans	-69.8	-34.7	173.4	-69.5	174.8	0	0	0	112.9	L387 L390 A907 Y909 F914 L915 L978	L387-L911 HydrophobicContact CD2-CD1 3.66Å; L387-L911 HydrophobicContact CD2-CD2 3.9Å; L387-L911 HydrophobicContact CD2-CG 3.92Å; L390-L911 HydrophobicContact CD2-CD1 4.25Å; L390-L911 HydrophobicContact CD2-CD2 3.59Å; L390-L911 HydrophobicContact CG-CD2 4.39Å; A907-L911 VanDerWaalsContact O-CB 3.31Å; A907-L911 WeakPolarHBondContact O-CB 3.37Å; A907-L911 WeakPolarHBondContact O-CG 3.3Å; A907-L911 PolarHBondContact O-N 3.06Å; Y909-L911 VanDerWaalsContact C-N 3.3Å; Y909-L911 PolarHBondContact O-N 3.25Å; L911-F914 WeakPolarHBondContact O-CB 3.28Å; L911-F914 PolarHBondContact O-N 2.98Å; L911-L915 WeakPolarHBondContact O-CG 3.39Å; L911-L915 PolarHBondContact O-N 2.81Å; L911-L978 HydrophobicContact CB-CD1 3.57Å; L911-L978 HydrophobicContact CD1-CD2 4.36Å
912	T	95.2	Very high	92.3	Very high	1 Å²	1	14 Å²	14	1%	0.006	6%	0.063	C	C	.	.	H	α-helix	trans	-65.9	-41.8	175.2	-60.9	0	0	0	0	111.4	G908 Y909 L915 S916 M981 Q1025 Y1026	G908-T912 WeakPolarHBondContact O-CB 3.37Å; G908-T912 PolarHBondContact O-N 3Å; G908-T912 PolarHBondContact O-OG1 3.41Å; Y909-T912 WeakPolarHBondContact O-CB 3.33Å; Y909-T912 PolarHBondContact O-N 2.78Å; T912-L915 PolarHBondContact O-N 2.81Å; T912-S916 PolarHBondContact O-N 2.83Å; T912-S916 PolarHBondContact O-OG 2.93Å; T912-S916 VanDerWaalsContact O-OG 3.09Å; T912-M981 HydrophobicContact CG2-CB 4.08Å; T912-M981 HydrophobicContact CG2-CG 4.17Å; T912-Q1025 HydrophobicContact CG2-CB 4.25Å; T912-Y1026 HydrophobicContact CG2-CD1 4.48Å; T912-Y1026 HydrophobicContact CG2-CE1 3.91Å
913	Q	94.3	Very high	92.1	Very high	6 Å²	6	14.9 Å²	14.9	3%	0.028	7%	0.068	C	C	.	.	H	α-helix	trans	-64.3	-44.1	174.2	-175.8	-179.6	1.9	0	0	111	I422 Y909 L915 S916 V917 F932	I422-Q913 HydrophobicContact CG2-CB 4.18Å; I422-Q913 HydrophobicContact CG2-CG 3.84Å; Y909-Q913 WeakPolarHBondContact O-CB 3.35Å; Y909-Q913 PolarHBondContact O-N 2.89Å; Q913-L915 VanDerWaalsContact C-N 3.33Å; Q913-L915 PolarHBondContact O-N 2.8Å; Q913-S916 WeakPolarHBondContact O-CB 3.39Å; Q913-S916 PolarHBondContact O-N 2.62Å; Q913-V917 WeakPolarHBondContact O-CG2 3.35Å; Q913-V917 PolarHBondContact O-N 3.09Å; Q913-F932 HydrophobicContact CG-CD1 4.32Å; Q913-F932 HydrophobicContact CG-CE1 3.92Å; Q913-F932 VanDerWaalsContact NE2-CE1 3.29Å
914	F	93.5	Very high	91.7	Very high	12 Å²	12	16 Å²	16	5%	0.053	8%	0.079	C	C	.	.	H	α-helix	trans	-54.7	-45.8	172.4	162.5	-93	0	0	0	112.3	L419 I422 C423 S910 L911 V917 C918	L419-F914 HydrophobicContact CD1-CD2 3.49Å; L419-F914 VanDerWaalsContact CD1-CD2 3.49Å; L419-F914 HydrophobicContact CD1-CE2 3.87Å; L419-F914 HydrophobicContact CD1-CG 4.47Å; L419-F914 HydrophobicContact CD2-CD2 3.98Å; L419-F914 HydrophobicContact CD2-CE2 3.43Å; L419-F914 VanDerWaalsContact CD2-CE2 3.43Å; L419-F914 HydrophobicContact CD2-CZ 4.39Å; L419-F914 HydrophobicContact CG-CD2 3.5Å; L419-F914 HydrophobicContact CG-CE2 3.48Å; L419-F914 VanDerWaalsContact CG-CE2 3.48Å; I422-F914 HydrophobicContact CG2-CB 4.25Å; C423-F914 WeakPolarHBondContact SG-CD2 3.25Å; C423-F914 VanDerWaalsContact SG-CG 3.51Å; S910-F914 WeakPolarHBondContact O-CB 3.32Å; S910-F914 PolarHBondContact O-N 2.71Å; L911-F914 WeakPolarHBondContact O-CB 3.28Å; L911-F914 PolarHBondContact O-N 2.98Å; F914-V917 PolarHBondContact O-N 2.93Å; F914-C918 PolarHBondContact O-N 2.98Å; F914-C918 PolarHBondContact O-SG 3.13Å
915	L	93.8	Very high	91.6	Very high	20 Å²	20	14.7 Å²	14.7	11%	0.105	7%	0.074	C	C	.	.	H	α-helix	trans	-63.9	-42.8	177	-71	179.2	0	0	0	112.1	L911 T912 Q913 V917 C918 L919 L978 L982	L911-L915 WeakPolarHBondContact O-CG 3.39Å; L911-L915 PolarHBondContact O-N 2.81Å; T912-L915 PolarHBondContact O-N 2.81Å; Q913-L915 VanDerWaalsContact C-N 3.33Å; Q913-L915 PolarHBondContact O-N 2.8Å; L915-V917 VanDerWaalsContact C-N 3.33Å; L915-V917 PolarHBondContact O-N 2.86Å; L915-C918 PolarHBondContact O-N 3.17Å; L915-L919 WeakPolarHBondContact O-CG 3.43Å; L915-L919 PolarHBondContact O-N 3.4Å; L915-L978 HydrophobicContact CD1-CD1 3.29Å; L915-L978 HydrophobicContact CD1-CG 3.79Å; L915-L978 HydrophobicContact CG-CD1 3.88Å; L915-L982 HydrophobicContact CB-CD1 4.39Å; L915-L982 HydrophobicContact CD1-CB 3.72Å; L915-L982 HydrophobicContact CD1-CD1 4.13Å; L915-L982 HydrophobicContact CD1-CG 4.36Å; L915-L982 HydrophobicContact CD2-CD1 4.13Å; L915-L982 HydrophobicContact CD2-CD2 4.4Å; L915-L982 HydrophobicContact CG-CD1 4.46Å
916	S	95.1	Very high	91.2	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-59.3	-47.2	177.2	-58.5	0	0	0	0	110.8	T912 Q913 C918 L919 L920 Q985	T912-S916 PolarHBondContact O-N 2.83Å; T912-S916 PolarHBondContact O-OG 2.93Å; T912-S916 VanDerWaalsContact O-OG 3.09Å; Q913-S916 WeakPolarHBondContact O-CB 3.39Å; Q913-S916 PolarHBondContact O-N 2.62Å; S916-C918 PolarHBondContact O-N 3.14Å; S916-L919 WeakPolarHBondContact O-CB 3.33Å; S916-L919 PolarHBondContact O-N 3Å; S916-L920 WeakPolarHBondContact O-CG 3.21Å; S916-L920 PolarHBondContact O-N 3.18Å; S916-Q985 VanDerWaalsContact OG-CD 3.22Å; S916-Q985 PolarHBondContact OG-NE2 3.29Å; S916-Q985 PolarHBondContact OG-OE1 2.93Å
917	V	92.8	Very high	91.1	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-62	-42.1	177.1	173.2	0	0	0	0	111.7	L419 I422 Q913 F914 L915 L919 L920 Y921 F932	L419-V917 HydrophobicContact CD1-CB 4.4Å; L419-V917 HydrophobicContact CD1-CG1 3.97Å; I422-V917 HydrophobicContact CD1-CB 4.49Å; I422-V917 HydrophobicContact CD1-CG1 4.32Å; I422-V917 HydrophobicContact CD1-CG2 4.08Å; Q913-V917 WeakPolarHBondContact O-CG2 3.35Å; Q913-V917 PolarHBondContact O-N 3.09Å; F914-V917 PolarHBondContact O-N 2.93Å; L915-V917 VanDerWaalsContact C-N 3.33Å; L915-V917 PolarHBondContact O-N 2.86Å; V917-L919 VanDerWaalsContact C-N 3.31Å; V917-L919 PolarHBondContact O-N 3.08Å; V917-L920 PolarHBondContact O-N 3.5Å; V917-L920 VanDerWaalsContact O-N 3.08Å; V917-Y921 HydrophobicContact CG1-CD1 4.05Å; V917-Y921 HydrophobicContact CG1-CD2 4.24Å; V917-Y921 HydrophobicContact CG1-CE1 3.6Å; V917-Y921 HydrophobicContact CG1-CE2 3.8Å; V917-Y921 HydrophobicContact CG1-CG 4.37Å; V917-Y921 VanDerWaalsContact CG1-CZ 3.47Å; V917-Y921 PolarHBondContact O-N 2.7Å; V917-F932 HydrophobicContact CG2-CE1 3.96Å; V917-F932 HydrophobicContact CG2-CZ 3.72Å
918	C	91.8	Very high	91	Very high	17 Å²	17	15.3 Å²	15.3	12%	0.115	8%	0.078	C	C	.	.	H	α-helix	trans	-58.4	-41.1	174.9	-69.5	0	0	0	0	112.3	Y397 F914 L915 S916 L920 Y921 W922	Y397-C918 HydrophobicContact CE1-CB 4.34Å; F914-C918 PolarHBondContact O-N 2.98Å; F914-C918 PolarHBondContact O-SG 3.13Å; L915-C918 PolarHBondContact O-N 3.17Å; S916-C918 PolarHBondContact O-N 3.14Å; C918-L920 VanDerWaalsContact C-N 3.35Å; C918-Y921 PolarHBondContact O-N 3.24Å; C918-W922 PolarHBondContact O-N 2.68Å
919	L	92.4	Very high	90.8	Very high	27 Å²	27	17.4 Å²	17.4	14%	0.141	9%	0.088	C	C	.	.	H	α-helix	trans	-66.6	-34.2	175.2	-68.9	173.1	0	0	0	112.6	L915 S916 V917 W922 L982 Q985 V986 F989	L915-L919 WeakPolarHBondContact O-CG 3.43Å; L915-L919 PolarHBondContact O-N 3.4Å; S916-L919 WeakPolarHBondContact O-CB 3.33Å; S916-L919 PolarHBondContact O-N 3Å; V917-L919 VanDerWaalsContact C-N 3.31Å; V917-L919 PolarHBondContact O-N 3.08Å; L919-W922 VanDerWaalsContact O-CB 3.29Å; L919-W922 WeakPolarHBondContact O-CB 3.48Å; L919-W922 PolarHBondContact O-N 3.13Å; L919-L982 HydrophobicContact CD1-CD1 4.37Å; L919-Q985 HydrophobicContact CD1-CB 3.68Å; L919-V986 HydrophobicContact CD1-CG2 4.21Å; L919-V986 HydrophobicContact CD2-CG2 3.86Å; L919-F989 HydrophobicContact CB-CE2 4.5Å
920	L	91.6	Very high	90.7	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-75.6	-33.7	177.3	-60.1	-172.3	0	0	0	112.4	S916 V917 C918 W922 L923 G924 T925 M927 A1015 V1018	S916-L920 WeakPolarHBondContact O-CG 3.21Å; S916-L920 PolarHBondContact O-N 3.18Å; V917-L920 PolarHBondContact O-N 3.5Å; V917-L920 VanDerWaalsContact O-N 3.08Å; C918-L920 VanDerWaalsContact C-N 3.35Å; L920-W922 PolarHBondContact O-N 3.23Å; L920-L923 WeakPolarHBondContact O-CA 3.38Å; L920-L923 WeakPolarHBondContact O-CB 3.23Å; L920-L923 PolarHBondContact O-N 3.28Å; L920-G924 PolarHBondContact O-N 2.81Å; L920-G924 VanDerWaalsContact O-N 3.15Å; L920-T925 CarbonylContact C-O 3.46Å; L920-T925 HydrophobicContact CB-CG2 4.17Å; L920-T925 WeakPolarHBondContact CB-O 2.95Å; L920-T925 PolarHBondContact O-N 3.07Å; L920-M927 HydrophobicContact CD1-CB 4.3Å; L920-M927 HydrophobicContact CD1-CG 3.5Å; L920-M927 VanDerWaalsContact CD1-CG 3.5Å; L920-A1015 HydrophobicContact CD1-CB 4.3Å; L920-A1015 HydrophobicContact CD2-CB 3.72Å; L920-V1018 HydrophobicContact CD2-CB 4.41Å
921	Y	88.7	Confident	90.7	Very high	12 Å²	12	20.7 Å²	20.7	5%	0.047	10%	0.103	C	C	.	.	H	α-helix	trans	-59.2	-31.9	172	-74.3	-1.4	0	0	0	111.4	T398 L401 R405 L419 V917 C918 L923 G924 N926	T398-Y921 HydrophobicContact CG2-CD2 3.57Å; T398-Y921 HydrophobicContact CG2-CE2 3.63Å; T398-Y921 WeakPolarHBondContact OG1-CD2 3.32Å; L401-Y921 VanDerWaalsContact CD2-O 3.31Å; L401-Y921 WeakPolarHBondContact CD2-O 3.3Å; R405-Y921 VanDerWaalsContact CZ-O 3.3Å; R405-Y921 PolarHBondContact NH1-O 3.33Å; R405-Y921 PolarHBondContact NH2-O 3.03Å; L419-Y921 HydrophobicContact CD1-CE2 4.47Å; V917-Y921 HydrophobicContact CG1-CD1 4.05Å; V917-Y921 HydrophobicContact CG1-CD2 4.24Å; V917-Y921 HydrophobicContact CG1-CE1 3.6Å; V917-Y921 HydrophobicContact CG1-CE2 3.8Å; V917-Y921 HydrophobicContact CG1-CG 4.37Å; V917-Y921 VanDerWaalsContact CG1-CZ 3.47Å; V917-Y921 PolarHBondContact O-N 2.7Å; C918-Y921 PolarHBondContact O-N 3.24Å; Y921-L923 PolarHBondContact O-N 3.2Å; Y921-G924 PolarHBondContact O-N 3.38Å; Y921-N926 HydrophobicContact CE1-CB 4.25Å
922	W	87.6	Confident	90.6	Very high	142 Å²	142	20.9 Å²	20.9	54%	0.538	10%	0.103	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-26.8	168.9	-177.6	-92.8	0	0	0	114.3	L401 R405 C918 L919 L920 F989	L401-W922 HydrophobicContact CD1-CE3 4.23Å; L401-W922 HydrophobicContact CD1-CZ3 4.46Å; R405-W922 PolarHBondContact NH2-O 3.49Å; C918-W922 PolarHBondContact O-N 2.68Å; L919-W922 VanDerWaalsContact O-CB 3.29Å; L919-W922 WeakPolarHBondContact O-CB 3.48Å; L919-W922 PolarHBondContact O-N 3.13Å; L920-W922 PolarHBondContact O-N 3.23Å; W922-F989 AromaticContact CD1-CZ 3.91Å
923	L	85.9	Confident	90.5	Very high	21 Å²	21	22.6 Å²	22.6	11%	0.11	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.3	-14	173.9	-58.5	174.7	0	0	0	113.5	L920 Y921 T925 F989 H1001 R1014	L920-L923 WeakPolarHBondContact O-CA 3.38Å; L920-L923 WeakPolarHBondContact O-CB 3.23Å; L920-L923 PolarHBondContact O-N 3.28Å; Y921-L923 PolarHBondContact O-N 3.2Å; L923-T925 HydrophobicContact CB-CG2 4.12Å; L923-F989 HydrophobicContact CD1-CE2 3.63Å; L923-F989 HydrophobicContact CD1-CZ 4.03Å; L923-F989 HydrophobicContact CD2-CE2 4.29Å; L923-F989 HydrophobicContact CD2-CZ 3.82Å; L923-F989 HydrophobicContact CG-CE2 3.88Å; L923-F989 HydrophobicContact CG-CZ 3.78Å; L923-H1001 PolarHBondContact O-CD2 2.96Å; L923-R1014 HydrophobicContact CD1-CB 3.54Å; L923-R1014 HydrophobicContact CD1-CG 4.3Å
924	G	82.9	Confident	90.4	Very high	24 Å²	24	23.8 Å²	23.8	25%	0.247	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.6	24.2	-173.3	0	0	0	0	0	113.7	L920 Y921	L920-G924 PolarHBondContact O-N 2.81Å; L920-G924 VanDerWaalsContact O-N 3.15Å; Y921-G924 PolarHBondContact O-N 3.38Å
925	T	86.7	Confident	90.4	Very high	5 Å²	5	23.2 Å²	23.2	3%	0.031	12%	0.116	C	C	.	.			trans	-124.1	166.1	172.1	-167.7	0	0	0	0	109.5	L920 L923 A1015	L920-T925 CarbonylContact C-O 3.46Å; L920-T925 HydrophobicContact CB-CG2 4.17Å; L920-T925 WeakPolarHBondContact CB-O 2.95Å; L920-T925 PolarHBondContact O-N 3.07Å; L923-T925 HydrophobicContact CB-CG2 4.12Å; T925-A1015 HydrophobicContact CG2-CB 4.26Å
926	N	87	Confident	90.3	Very high	9 Å²	9	22.9 Å²	22.9	5%	0.048	11%	0.114	C	C	.	.			trans	-116.4	174.8	169.3	-157.7	0.1	0	0	0	111	R415 Y921 V1009	R415-N926 PolarHBondContact NH1-ND2 3.09Å; Y921-N926 HydrophobicContact CE1-CB 4.25Å; N926-V1009 HydrophobicContact CB-CG2 4.5Å
927	M	88.5	Confident	89.9	Confident	1 Å²	1	24.7 Å²	24.7	1%	0.005	13%	0.13	C	C	.	.			trans	-65.7	150.5	161.8	-75.5	-165.7	173.4	0	0	109.9	L920 Q931 F932 I935	L920-M927 HydrophobicContact CD1-CB 4.3Å; L920-M927 HydrophobicContact CD1-CG 3.5Å; L920-M927 VanDerWaalsContact CD1-CG 3.5Å; M927-Q931 HydrophobicContact CB-CB 4.49Å; M927-F932 HydrophobicContact CB-CD1 4.38Å; M927-F932 HydrophobicContact CB-CD2 4.16Å; M927-F932 HydrophobicContact CB-CE1 3.97Å; M927-F932 HydrophobicContact CB-CE2 3.69Å; M927-F932 HydrophobicContact CB-CZ 3.62Å; M927-F932 HydrophobicContact CG-CE1 4.42Å; M927-F932 HydrophobicContact CG-CZ 4.37Å; M927-F932 HydrophobicContact SD-CD1 4.37Å; M927-F932 HydrophobicContact SD-CE1 4.05Å; M927-I935 HydrophobicContact SD-CD1 4.18Å
928	A	89.4	Confident	89.8	Confident	6 Å²	6	27 Å²	27	5%	0.05	15%	0.148	C	C	.	.			trans	-75.3	149.5	176.8	0	0	0	0	0	111.4	F930 Q931 F932 V1009 V1076	A928-F930 VanDerWaalsContact C-N 3.25Å; A928-F930 PolarHBondContact O-N 3.31Å; A928-F930 VanDerWaalsContact O-N 3.16Å; A928-Q931 HydrophobicContact CB-CG 4.02Å; A928-Q931 WeakPolarHBondContact O-CA 3.47Å; A928-Q931 VanDerWaalsContact O-CB 3.24Å; A928-Q931 WeakPolarHBondContact O-CB 3.41Å; A928-Q931 PolarHBondContact O-N 3.4Å; A928-F932 PolarHBondContact O-N 3.47Å; A928-F932 VanDerWaalsContact O-N 3.12Å; A928-V1009 HydrophobicContact CB-CG1 4.14Å; A928-V1076 HydrophobicContact CB-CB 4.11Å; A928-V1076 HydrophobicContact CB-CG2 3.97Å
929	D	89.2	Confident	89.9	Confident	50 Å²	50	26.2 Å²	26.2	27%	0.267	14%	0.143	S	C	.	.	H	α-helix	trans	-50	-42.4	179.1	-71.9	16	0	0	0	113.8	Y207 F932 L933	Y207-D929 HydrophobicContact CD2-CB 3.73Å; Y207-D929 VanDerWaalsContact CD2-CG 3.4Å; Y207-D929 WeakPolarHBondContact CD2-OD2 3.45Å; Y207-D929 HydrophobicContact CE2-CB 3.5Å; Y207-D929 VanDerWaalsContact CE2-CB 3.5Å; Y207-D929 PolarHBondContact OH-O 2.93Å; D929-F932 PolarHBondContact O-N 2.73Å; D929-L933 WeakPolarHBondContact O-CB 3.19Å; D929-L933 PolarHBondContact O-N 3.2Å
930	F	91.9	Very high	89.9	Confident	69 Å²	69	25 Å²	25	30%	0.303	14%	0.137	S	C	.	.	H	α-helix	trans	-76.5	-21.8	177.9	-77.7	-78.4	0	0	0	113.5	A928 L933 L934 L1074 L1075	A928-F930 VanDerWaalsContact C-N 3.25Å; A928-F930 PolarHBondContact O-N 3.31Å; A928-F930 VanDerWaalsContact O-N 3.16Å; F930-L933 HydrophobicContact CD1-CD2 3.92Å; F930-L933 HydrophobicContact CE1-CD2 4.02Å; F930-L934 VanDerWaalsContact O-CB 3.3Å; F930-L934 WeakPolarHBondContact O-CB 3.39Å; F930-L934 PolarHBondContact O-N 3.04Å; F930-L1074 HydrophobicContact CB-CG 4.18Å; F930-L1074 WeakPolarHBondContact CB-O 3.4Å; F930-L1074 HydrophobicContact CD1-CD1 3.74Å; F930-L1074 HydrophobicContact CD1-CD2 4.35Å; F930-L1074 HydrophobicContact CD1-CG 4.02Å; F930-L1074 HydrophobicContact CD2-CD1 3.78Å; F930-L1074 HydrophobicContact CD2-CG 4.34Å; F930-L1074 HydrophobicContact CE1-CD1 3.79Å; F930-L1074 HydrophobicContact CE2-CD1 3.83Å; F930-L1074 HydrophobicContact CG-CD1 3.74Å; F930-L1074 HydrophobicContact CG-CG 3.93Å; F930-L1074 HydrophobicContact CZ-CD1 3.84Å; F930-L1075 HydrophobicContact CB-CD2 4.17Å; F930-L1075 WeakPolarHBondContact O-CD2 3.4Å
931	Q	94	Very high	89.8	Confident	6 Å²	6	27.7 Å²	27.7	3%	0.028	15%	0.153	C	C	.	.	H	α-helix	trans	-67.7	-48	169.2	-67	173.4	0.2	0	0	109.7	M927 A928 L933 L934 I935 F1019 L1075	M927-Q931 HydrophobicContact CB-CB 4.49Å; A928-Q931 HydrophobicContact CB-CG 4.02Å; A928-Q931 WeakPolarHBondContact O-CA 3.47Å; A928-Q931 VanDerWaalsContact O-CB 3.24Å; A928-Q931 WeakPolarHBondContact O-CB 3.41Å; A928-Q931 PolarHBondContact O-N 3.4Å; Q931-L933 VanDerWaalsContact C-N 3.33Å; Q931-L933 PolarHBondContact O-N 3.43Å; Q931-L934 PolarHBondContact O-N 3.19Å; Q931-I935 WeakPolarHBondContact O-CD1 3.46Å; Q931-I935 WeakPolarHBondContact O-CG1 3.48Å; Q931-I935 PolarHBondContact O-N 3.04Å; Q931-F1019 HydrophobicContact CB-CD2 3.74Å; Q931-F1019 HydrophobicContact CB-CE2 3.52Å; Q931-F1019 HydrophobicContact CB-CZ 4.24Å; Q931-F1019 HydrophobicContact CG-CD1 4.49Å; Q931-F1019 HydrophobicContact CG-CD2 3.74Å; Q931-F1019 HydrophobicContact CG-CE1 4.38Å; Q931-F1019 HydrophobicContact CG-CE2 3.62Å; Q931-F1019 HydrophobicContact CG-CG 4.17Å; Q931-F1019 HydrophobicContact CG-CZ 3.95Å; Q931-L1075 HydrophobicContact CG-CB 4.33Å; Q931-L1075 HydrophobicContact CG-CD2 4.24Å; Q931-L1075 PolarHBondContact NE2-O 3.13Å
932	F	91.4	Very high	89.9	Confident	11 Å²	11	29.4 Å²	29.4	5%	0.048	16%	0.162	C	C	.	.	H	α-helix	trans	-59.3	-43	173.3	-73.5	-52	0	0	0	111.9	Y207 Q913 V917 M927 A928 D929 I935 D936	Y207-F932 HydrophobicContact CE1-CB 4.23Å; Y207-F932 HydrophobicContact CE1-CD2 4.43Å; Y207-F932 WeakPolarHBondContact OH-CB 3.45Å; Q913-F932 HydrophobicContact CG-CD1 4.32Å; Q913-F932 HydrophobicContact CG-CE1 3.92Å; Q913-F932 VanDerWaalsContact NE2-CE1 3.29Å; V917-F932 HydrophobicContact CG2-CE1 3.96Å; V917-F932 HydrophobicContact CG2-CZ 3.72Å; M927-F932 HydrophobicContact CB-CD1 4.38Å; M927-F932 HydrophobicContact CB-CD2 4.16Å; M927-F932 HydrophobicContact CB-CE1 3.97Å; M927-F932 HydrophobicContact CB-CE2 3.69Å; M927-F932 HydrophobicContact CB-CZ 3.62Å; M927-F932 HydrophobicContact CG-CE1 4.42Å; M927-F932 HydrophobicContact CG-CZ 4.37Å; M927-F932 HydrophobicContact SD-CD1 4.37Å; M927-F932 HydrophobicContact SD-CE1 4.05Å; A928-F932 PolarHBondContact O-N 3.47Å; A928-F932 VanDerWaalsContact O-N 3.12Å; D929-F932 PolarHBondContact O-N 2.73Å; F932-I935 PolarHBondContact O-N 3.4Å; F932-D936 WeakPolarHBondContact O-CB 3.38Å; F932-D936 PolarHBondContact O-N 2.8Å
933	L	91.3	Very high	90.2	Very high	37 Å²	37	22.6 Å²	22.6	19%	0.194	14%	0.136	C	C	.	.	H	α-helix	trans	-64.5	-42.8	178.5	-171.1	66.6	0	0	0	112.3	Y207 Y210 I213 D929 F930 Q931 I935 A937 A938	Y207-L933 PolarHBondContact OH-N 3.2Å; Y210-L933 HydrophobicContact CD2-CD1 4.07Å; I213-L933 HydrophobicContact CD1-CD1 3.75Å; D929-L933 WeakPolarHBondContact O-CB 3.19Å; D929-L933 PolarHBondContact O-N 3.2Å; F930-L933 HydrophobicContact CD1-CD2 3.92Å; F930-L933 HydrophobicContact CE1-CD2 4.02Å; Q931-L933 VanDerWaalsContact C-N 3.33Å; Q931-L933 PolarHBondContact O-N 3.43Å; L933-I935 VanDerWaalsContact C-N 3.32Å; L933-I935 PolarHBondContact O-N 3.26Å; L933-A937 HydrophobicContact CD1-CB 3.73Å; L933-A937 HydrophobicContact CG-CB 4.33Å; L933-A937 WeakPolarHBondContact O-CA 3.45Å; L933-A937 VanDerWaalsContact O-CB 3.26Å; L933-A937 WeakPolarHBondContact O-CB 2.88Å; L933-A937 PolarHBondContact O-N 2.85Å; L933-A938 PolarHBondContact O-N 3.03Å
934	L	93.5	Very high	90.4	Very high	30 Å²	30	21.9 Å²	21.9	16%	0.157	13%	0.133	C	C	.	.	I	π-helix	trans	-60.4	-43.8	174.6	179.6	73.1	0	0	0	111	F930 Q931 A938 L939 F1019 L1059 I1063 L1075	F930-L934 VanDerWaalsContact O-CB 3.3Å; F930-L934 WeakPolarHBondContact O-CB 3.39Å; F930-L934 PolarHBondContact O-N 3.04Å; Q931-L934 PolarHBondContact O-N 3.19Å; L934-A938 HydrophobicContact CD1-CB 4.06Å; L934-A938 VanDerWaalsContact O-CB 3.28Å; L934-A938 WeakPolarHBondContact O-CB 3.48Å; L934-A938 PolarHBondContact O-N 2.73Å; L934-L939 PolarHBondContact O-N 3.33Å; L934-F1019 HydrophobicContact CD2-CZ 3.89Å; L934-L1059 HydrophobicContact CD1-CD2 4.27Å; L934-I1063 HydrophobicContact CD2-CD1 3.74Å; L934-L1075 HydrophobicContact CB-CD2 4.36Å; L934-L1075 HydrophobicContact CD2-CD1 4.25Å; L934-L1075 HydrophobicContact CD2-CD2 4.25Å
935	I	94	Very high	90.7	Very high	0 Å²	0	24 Å²	24	0%	0	14%	0.138	C	C	.	.	I	π-helix	trans	-64.5	-65.4	178.9	-65.7	161.9	0	0	0	109.1	M927 Q931 F932 L933 L939 I940 F1019 I1023 Y1026	M927-I935 HydrophobicContact SD-CD1 4.18Å; Q931-I935 WeakPolarHBondContact O-CD1 3.46Å; Q931-I935 WeakPolarHBondContact O-CG1 3.48Å; Q931-I935 PolarHBondContact O-N 3.04Å; F932-I935 PolarHBondContact O-N 3.4Å; L933-I935 VanDerWaalsContact C-N 3.32Å; L933-I935 PolarHBondContact O-N 3.26Å; I935-L939 WeakPolarHBondContact O-CB 3.38Å; I935-L939 PolarHBondContact O-N 3.2Å; I935-I940 HydrophobicContact CG2-CD1 4.4Å; I935-I940 HydrophobicContact CG2-CG1 3.95Å; I935-I940 VanDerWaalsContact O-CG1 3.31Å; I935-I940 WeakPolarHBondContact O-CG1 3.46Å; I935-I940 PolarHBondContact O-N 2.9Å; I935-F1019 HydrophobicContact CD1-CD2 4.26Å; I935-F1019 HydrophobicContact CD1-CE2 4.08Å; I935-F1019 HydrophobicContact CG1-CE2 4.36Å; I935-I1023 HydrophobicContact CG1-CG2 4.42Å; I935-Y1026 HydrophobicContact CB-CE2 4.23Å; I935-Y1026 HydrophobicContact CD1-CE2 3.6Å; I935-Y1026 HydrophobicContact CG1-CD2 4.14Å; I935-Y1026 HydrophobicContact CG1-CE2 3.63Å; I935-Y1026 HydrophobicContact CG2-CD2 3.78Å; I935-Y1026 HydrophobicContact CG2-CE1 4.45Å; I935-Y1026 HydrophobicContact CG2-CE2 3.52Å; I935-Y1026 HydrophobicContact CG2-CG 4.42Å
936	D	91.2	Very high	91	Very high	13 Å²	13	26 Å²	26	7%	0.07	15%	0.147	C	C	.	.	I	π-helix	trans	-72.3	-47.1	-167.6	-72.2	-9.8	0	0	0	112.9	Y210 F932 T941	Y210-D936 HydrophobicContact CE2-CB 3.85Å; Y210-D936 PolarHBondContact OH-OD2 2.96Å; Y210-D936 VanDerWaalsContact OH-OD2 3.12Å; F932-D936 WeakPolarHBondContact O-CB 3.38Å; F932-D936 PolarHBondContact O-N 2.8Å; D936-T941 WeakPolarHBondContact O-CB 3.41Å; D936-T941 PolarHBondContact O-N 2.98Å; D936-T941 PolarHBondContact O-OG1 2.82Å
937	A	87.4	Confident	91.2	Very high	39 Å²	39	25.7 Å²	25.7	32%	0.322	15%	0.145	S	C	.	.	I	π-helix	trans	-85.8	-39	-174.1	0	0	0	0	0	112.9	L933 T941	L933-A937 HydrophobicContact CD1-CB 3.73Å; L933-A937 HydrophobicContact CG-CB 4.33Å; L933-A937 WeakPolarHBondContact O-CA 3.45Å; L933-A937 VanDerWaalsContact O-CB 3.26Å; L933-A937 WeakPolarHBondContact O-CB 2.88Å; L933-A937 PolarHBondContact O-N 2.85Å; A937-T941 WeakPolarHBondContact O-CB 3.24Å
938	A	90	Very high	91.1	Very high	47 Å²	47	25.7 Å²	25.7	39%	0.388	15%	0.145	S	C	.	.	I	π-helix	trans	-90.4	-45.8	-176.7	0	0	0	0	0	113.1	L933 L934 M942	L933-A938 PolarHBondContact O-N 3.03Å; L934-A938 HydrophobicContact CD1-CB 4.06Å; L934-A938 VanDerWaalsContact O-CB 3.28Å; L934-A938 WeakPolarHBondContact O-CB 3.48Å; L934-A938 PolarHBondContact O-N 2.73Å; A938-M942 WeakPolarHBondContact O-CB 3.36Å
939	L	93.6	Very high	91.1	Very high	2 Å²	2	31 Å²	31	1%	0.01	16%	0.164	C	C	.	.	I	π-helix	trans	-87.4	-65.5	-177.6	-65.2	177	0	0	0	112.1	L934 I935 T941 M942 F943	L934-L939 PolarHBondContact O-N 3.33Å; I935-L939 WeakPolarHBondContact O-CB 3.38Å; I935-L939 PolarHBondContact O-N 3.2Å; L939-T941 PolarHBondContact O-N 2.99Å; L939-M942 PolarHBondContact O-N 3.32Å; L939-F943 HydrophobicContact CB-CD2 4.3Å; L939-F943 HydrophobicContact CB-CE2 3.88Å; L939-F943 HydrophobicContact CD2-CE2 4.14Å; L939-F943 HydrophobicContact CD2-CZ 4.12Å; L939-F943 WeakPolarHBondContact O-CB 3.39Å; L939-F943 WeakPolarHBondContact O-CD2 3.2Å; L939-F943 VanDerWaalsContact O-CG 3.26Å; L939-F943 WeakPolarHBondContact O-CG 3.28Å; L939-F943 PolarHBondContact O-N 3.13Å
940	I	93	Very high	91.2	Very high	1 Å²	1	28.8 Å²	28.8	1%	0.005	15%	0.152	C	C	.	.	I	π-helix	trans	-60.5	-46	-171.6	-57.5	-53.7	0	0	0	111.2	Y905 M906 Y909 I935 F943 S944 Y1026	Y905-I940 HydrophobicContact CE1-CD1 4.5Å; Y905-I940 HydrophobicContact CE1-CG2 4.07Å; Y905-I940 HydrophobicContact CE2-CD1 4.43Å; Y905-I940 WeakPolarHBondContact OH-CD1 3.31Å; M906-I940 HydrophobicContact CE-CG2 4.38Å; M906-I940 HydrophobicContact SD-CG2 3.95Å; Y909-I940 HydrophobicContact CD1-CD1 4.21Å; Y909-I940 HydrophobicContact CD1-CG1 4.4Å; Y909-I940 HydrophobicContact CD1-CG2 3.81Å; Y909-I940 HydrophobicContact CD2-CD1 3.92Å; Y909-I940 HydrophobicContact CD2-CG1 3.85Å; Y909-I940 HydrophobicContact CE1-CG2 3.61Å; Y909-I940 HydrophobicContact CE2-CG1 4.07Å; Y909-I940 HydrophobicContact CE2-CG2 4.31Å; Y909-I940 HydrophobicContact CG-CD1 3.72Å; Y909-I940 HydrophobicContact CG-CG1 4.05Å; Y909-I940 HydrophobicContact CG-CG2 4.3Å; I935-I940 HydrophobicContact CG2-CD1 4.4Å; I935-I940 HydrophobicContact CG2-CG1 3.95Å; I935-I940 VanDerWaalsContact O-CG1 3.31Å; I935-I940 WeakPolarHBondContact O-CG1 3.46Å; I935-I940 PolarHBondContact O-N 2.9Å; I940-F943 PolarHBondContact O-N 3.03Å; I940-S944 VanDerWaalsContact O-CB 3.24Å; I940-S944 WeakPolarHBondContact O-CB 3.47Å; I940-S944 PolarHBondContact O-N 3.04Å; I940-S944 PolarHBondContact O-OG 2.65Å; I940-Y1026 HydrophobicContact CD1-CD1 4.34Å; I940-Y1026 HydrophobicContact CD1-CG 4.13Å
941	T	89	Confident	91.2	Very high	56 Å²	56	29.2 Å²	29.2	34%	0.344	16%	0.155	S	C	.	.	H	α-helix	trans	-63.8	-44.7	179.1	-62.9	0	0	0	0	111.6	D936 A937 L939 S944 L945	D936-T941 WeakPolarHBondContact O-CB 3.41Å; D936-T941 PolarHBondContact O-N 2.98Å; D936-T941 PolarHBondContact O-OG1 2.82Å; A937-T941 WeakPolarHBondContact O-CB 3.24Å; L939-T941 PolarHBondContact O-N 2.99Å; T941-S944 PolarHBondContact O-N 3.19Å; T941-L945 HydrophobicContact CG2-CD1 3.9Å; T941-L945 HydrophobicContact CG2-CG 4.38Å; T941-L945 WeakPolarHBondContact O-CB 3.41Å; T941-L945 WeakPolarHBondContact O-CD1 3.25Å; T941-L945 VanDerWaalsContact O-CG 3.23Å; T941-L945 WeakPolarHBondContact O-CG 3.48Å; T941-L945 PolarHBondContact O-N 3.42Å
942	M	91.4	Very high	91.2	Very high	48 Å²	48	29.2 Å²	29.2	24%	0.236	16%	0.156	C	C	.	.	H	α-helix	trans	-60.7	-47.9	177	-177.2	-172.1	62.2	0	0	111.5	A938 L939 S944 L945 F946 S1052	A938-M942 WeakPolarHBondContact O-CB 3.36Å; L939-M942 PolarHBondContact O-N 3.32Å; M942-S944 PolarHBondContact O-N 3.22Å; M942-L945 PolarHBondContact O-N 3.2Å; M942-F946 HydrophobicContact CG-CD2 3.94Å; M942-F946 HydrophobicContact CG-CE2 3.68Å; M942-F946 VanDerWaalsContact O-CD2 3.22Å; M942-F946 WeakPolarHBondContact O-CD2 3.49Å; M942-F946 PolarHBondContact O-N 3.27Å; M942-S1052 WeakPolarHBondContact CE-O 3.25Å
943	F	94	Very high	91.1	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-61.1	-45.9	177.5	-66.4	-36.3	0	0	0	111.5	Y905 L939 I940 L945 F946 F947 I1027 V1030 S1052 I1053	Y905-F943 HydrophobicContact CE1-CB 4.3Å; Y905-F943 VanDerWaalsContact OH-CD2 3.3Å; Y905-F943 WeakPolarHBondContact OH-CD2 3.33Å; L939-F943 HydrophobicContact CB-CD2 4.3Å; L939-F943 HydrophobicContact CB-CE2 3.88Å; L939-F943 HydrophobicContact CD2-CE2 4.14Å; L939-F943 HydrophobicContact CD2-CZ 4.12Å; L939-F943 WeakPolarHBondContact O-CB 3.39Å; L939-F943 WeakPolarHBondContact O-CD2 3.2Å; L939-F943 VanDerWaalsContact O-CG 3.26Å; L939-F943 WeakPolarHBondContact O-CG 3.28Å; L939-F943 PolarHBondContact O-N 3.13Å; I940-F943 PolarHBondContact O-N 3.03Å; F943-L945 PolarHBondContact O-N 3.14Å; F943-F946 PolarHBondContact O-N 2.78Å; F943-F947 WeakPolarHBondContact O-CB 3.45Å; F943-F947 PolarHBondContact O-N 2.97Å; F943-I1027 HydrophobicContact CE2-CG1 3.91Å; F943-I1027 HydrophobicContact CZ-CD1 4.46Å; F943-I1027 HydrophobicContact CZ-CG1 3.85Å; F943-V1030 HydrophobicContact CB-CG2 4.07Å; F943-V1030 HydrophobicContact CD2-CG1 4.37Å; F943-V1030 HydrophobicContact CG-CG1 4.28Å; F943-S1052 WeakPolarHBondContact CE1-O 3.47Å; F943-I1053 HydrophobicContact CD1-CG1 4.22Å; F943-I1053 HydrophobicContact CE1-CG1 4.03Å
944	S	89.8	Confident	90.9	Very high	5 Å²	5	34.5 Å²	34.5	4%	0.035	18%	0.182	C	C	.	.	H	α-helix	trans	-61.9	-40.7	179.5	-60.7	0	0	0	0	112.6	M906 I940 T941 M942 F946	M906-S944 PolarHBondContact SD-OG 2.78Å; I940-S944 VanDerWaalsContact O-CB 3.24Å; I940-S944 WeakPolarHBondContact O-CB 3.47Å; I940-S944 PolarHBondContact O-N 3.04Å; I940-S944 PolarHBondContact O-OG 2.65Å; T941-S944 PolarHBondContact O-N 3.19Å; M942-S944 PolarHBondContact O-N 3.22Å; S944-F946 VanDerWaalsContact C-N 3.34Å; S944-F946 PolarHBondContact O-N 3.5Å
945	L	88.8	Confident	90.6	Very high	69 Å²	69	38.4 Å²	38.4	36%	0.361	21%	0.207	S	C	.	.	H	α-helix	trans	-61.2	-39.7	178	-78.1	166	0	0	0	112.6	I434 T941 M942 F943	I434-L945 HydrophobicContact CD1-CD2 3.55Å; I434-L945 HydrophobicContact CD1-CG 4.4Å; I434-L945 HydrophobicContact CG1-CD2 4.4Å; T941-L945 HydrophobicContact CG2-CD1 3.9Å; T941-L945 HydrophobicContact CG2-CG 4.38Å; T941-L945 WeakPolarHBondContact O-CB 3.41Å; T941-L945 WeakPolarHBondContact O-CD1 3.25Å; T941-L945 VanDerWaalsContact O-CG 3.23Å; T941-L945 WeakPolarHBondContact O-CG 3.48Å; T941-L945 PolarHBondContact O-N 3.42Å; M942-L945 PolarHBondContact O-N 3.2Å; F943-L945 PolarHBondContact O-N 3.14Å
946	F	92.5	Very high	90.4	Very high	48 Å²	48	39.4 Å²	39.4	21%	0.211	21%	0.212	C	C	.	.	H	α-helix	trans	-92.9	-25.6	-177	-60.2	-49.3	0	0	0	113.9	M942 F943 S944 G948 R949 N1046 L1048 F1049	M942-F946 HydrophobicContact CG-CD2 3.94Å; M942-F946 HydrophobicContact CG-CE2 3.68Å; M942-F946 VanDerWaalsContact O-CD2 3.22Å; M942-F946 WeakPolarHBondContact O-CD2 3.49Å; M942-F946 PolarHBondContact O-N 3.27Å; F943-F946 PolarHBondContact O-N 2.78Å; S944-F946 VanDerWaalsContact C-N 3.34Å; S944-F946 PolarHBondContact O-N 3.5Å; F946-G948 PolarHBondContact O-N 2.69Å; F946-R949 PolarHBondContact O-N 3.35Å; F946-R949 VanDerWaalsContact O-N 3.09Å; F946-N1046 PolarHBondContact O-ND2 3.12Å; F946-L1048 HydrophobicContact CD1-CB 3.94Å; F946-L1048 HydrophobicContact CD1-CD1 4.34Å; F946-L1048 HydrophobicContact CE1-CB 4.25Å; F946-L1048 HydrophobicContact CE1-CD1 4.22Å; F946-L1048 HydrophobicContact CG-CB 4.25Å; F946-F1049 HydrophobicContact CB-CB 3.81Å; F946-F1049 HydrophobicContact CB-CD2 4.02Å; F946-F1049 HydrophobicContact CB-CG 4.35Å
947	F	92.1	Very high	90.2	Very high	1 Å²	1	39.3 Å²	39.3	0%	0.004	21%	0.214	C	C	.	.	H	α-helix	trans	-52.1	-44.9	178.4	-172.4	-78.6	0	0	0	111.8	T898 V902 F943 R949 T950 V1030 Y1033 F1049	T898-F947 HydrophobicContact CG2-CD1 4.22Å; T898-F947 HydrophobicContact CG2-CE1 4.4Å; V902-F947 HydrophobicContact CG2-CD1 3.3Å; V902-F947 HydrophobicContact CG2-CE1 3.65Å; V902-F947 HydrophobicContact CG2-CG 4.07Å; F943-F947 WeakPolarHBondContact O-CB 3.45Å; F943-F947 PolarHBondContact O-N 2.97Å; F947-R949 PolarHBondContact O-N 3.27Å; F947-T950 PolarHBondContact O-OG1 2.8Å; F947-T950 VanDerWaalsContact O-OG1 3.08Å; F947-V1030 HydrophobicContact CD2-CG2 3.7Å; F947-V1030 HydrophobicContact CE2-CG2 4.13Å; F947-Y1033 WeakPolarHBondContact CZ-O 3.39Å; F947-F1049 HydrophobicContact CB-CD2 4.46Å; F947-F1049 HydrophobicContact CB-CE2 4.08Å; F947-F1049 HydrophobicContact CB-CZ 4.35Å; F947-F1049 HydrophobicContact CD2-CE1 4.22Å; F947-F1049 HydrophobicContact CD2-CE2 4.04Å; F947-F1049 AromaticContact CD2-CZ 3.58Å; F947-F1049 HydrophobicContact CD2-CZ 3.58Å; F947-F1049 HydrophobicContact CE2-CZ 4.33Å; F947-F1049 HydrophobicContact CG-CZ 4.31Å
948	G	85.9	Confident	90.2	Very high	1 Å²	1	40.7 Å²	40.7	1%	0.01	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-13.4	-177.1	0	0	0	0	0	115.8	F946 T950	F946-G948 PolarHBondContact O-N 2.69Å; G948-T950 VanDerWaalsContact C-N 3.28Å; G948-T950 PolarHBondContact O-N 3.47Å
949	R	90	Very high	90	Very high	118 Å²	118	46.1 Å²	46.1	45%	0.445	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.7	-3.2	-177.4	-64	-173	177.2	177.5	-2.4	114.2	A438 F946 F947 E951	A438-R949 HydrophobicContact CB-CG 4.39Å; F946-R949 PolarHBondContact O-N 3.35Å; F946-R949 VanDerWaalsContact O-N 3.09Å; F947-R949 PolarHBondContact O-N 3.27Å; R949-E951 PolarHBondContact O-N 3.48Å
950	T	91.3	Very high	89.7	Confident	4 Å²	4	48.8 Å²	48.8	3%	0.025	25%	0.251	C	S	.	.	P	Polyproline II helix	trans	-64.8	127	178.5	-50.1	0	0	0	0	110.4	F947 G948 R1040 K1041 N1046	F947-T950 PolarHBondContact O-OG1 2.8Å; F947-T950 VanDerWaalsContact O-OG1 3.08Å; G948-T950 VanDerWaalsContact C-N 3.28Å; G948-T950 PolarHBondContact O-N 3.47Å; T950-R1040 HydrophobicContact CG2-CB 4.17Å; T950-K1041 VanDerWaalsContact CG2-O 3.23Å; T950-K1041 WeakPolarHBondContact CG2-O 3.24Å; T950-N1046 PolarHBondContact N-ND2 2.91Å; T950-N1046 PolarHBondContact OG1-ND2 3.04Å; T950-N1046 VanDerWaalsContact OG1-ND2 3.15Å
951	E	91.9	Very high	89.4	Confident	77 Å²	77	49 Å²	49	36%	0.36	25%	0.253	S	S	.	.	P	Polyproline II helix	trans	-74.6	160	-175	-57.8	-172.6	164.7	0	0	113.2	R949 R1040 K1041 H1045	R949-E951 PolarHBondContact O-N 3.48Å; E951-R1040 CarbonylContact O-C 3.57Å; E951-R1040 WeakPolarHBondContact O-CA 3.41Å; E951-K1041 HydrophobicContact CB-CD 4.09Å; E951-K1041 HydrophobicContact CB-CG 4.45Å; E951-K1041 PolarHBondContact O-N 3.22Å; E951-K1041 IonicContact OE2-NZ 3.85Å; E951-K1041 PolarHBondContact OE2-NZ 3.01Å; E951-H1045 IonicContact OE2-CD2 3.73Å; E951-H1045 IonicContact OE2-NE2 3.06Å; E951-H1045 PolarHBondContact OE2-NE2 2.8Å
952	A	92.2	Very high	89	Confident	7 Å²	7	49.9 Å²	49.9	6%	0.058	26%	0.26	C	S	.	.	B	Isolated β-bridge	trans	-69.9	149.7	174.2	0	0	0	0	0	112.8	R890 E891 A894	R890-A952 HydrophobicContact CG-CB 3.52Å; E891-A952 HydrophobicContact CG-CB 4.46Å; A894-A952 HydrophobicContact CB-CB 3.48Å; A894-A952 VanDerWaalsContact CB-CB 3.48Å
953	S	90.9	Very high	88.4	Confident	21 Å²	21	49.6 Å²	49.6	15%	0.147	26%	0.261	C	S	.	.	P	Polyproline II helix	trans	-64.2	139.3	174.6	179.8	0	0	0	0	111.1	R890 V955 P1038 H1039	R890-S953 WeakPolarHBondContact CD-O 2.87Å; R890-S953 WeakPolarHBondContact CG-O 3.16Å; S953-V955 VanDerWaalsContact C-N 3.28Å; S953-V955 PolarHBondContact O-N 2.95Å; S953-P1038 WeakPolarHBondContact CB-O 3.39Å; S953-P1038 PolarHBondContact OG-O 2.89Å; S953-H1039 PolarHBondContact N-O 2.84Å
954	E	86.9	Confident	87.9	Confident	137 Å²	137	56.7 Å²	56.7	64%	0.64	29%	0.287	S	S	*	.	S	Bend	trans	-63.7	-33.1	-175.4	-68.6	178.5	-175.7	0	0	113.3	R890 K1041	R890-E954 PolarHBondContact NH1-O 3.33Å; E954-K1041 IonicContact OE1-NZ 2.88Å
955	V	87.5	Confident	87.3	Confident	113 Å²	113	56.6 Å²	56.6	69%	0.685	29%	0.287	S	S	*	.	S	Bend	trans	-100.7	136	-179	-177.7	0	0	0	0	110.9	S953 A957	S953-V955 VanDerWaalsContact C-N 3.28Å; S953-V955 PolarHBondContact O-N 2.95Å; V955-A957 PolarHBondContact O-N 3.06Å
956	L	88.9	Confident	86.7	Confident	20 Å²	20	57 Å²	57	11%	0.105	29%	0.288	C	S	.	.			trans	-76.1	106.6	177.3	-170.2	63.7	0	0	0	111	L702 A705 I707 I889 R890	L702-L956 HydrophobicContact CD2-CD2 4.33Å; A705-L956 HydrophobicContact CB-CB 4.19Å; A705-L956 HydrophobicContact CB-CD2 3.48Å; A705-L956 VanDerWaalsContact CB-CD2 3.48Å; A705-L956 HydrophobicContact CB-CG 3.61Å; I707-L956 HydrophobicContact CD1-CD2 3.88Å; I889-L956 HydrophobicContact CB-CD1 4.39Å; I889-L956 HydrophobicContact CG2-CD1 3.79Å; I889-L956 HydrophobicContact CG2-CD2 4.39Å; R890-L956 HydrophobicContact CB-CD1 4.43Å
957	A	88.1	Confident	86	Confident	12 Å²	12	56.3 Å²	56.3	10%	0.099	29%	0.29	C	S	.	.			trans	-63	145	-178.1	0	0	0	0	0	113.2	R893 V955 K959 P1038	R893-A957 PolarHBondContact NH1-O 3.36Å; V955-A957 PolarHBondContact O-N 3.06Å; A957-K959 PolarHBondContact O-N 2.92Å; A957-P1038 HydrophobicContact CB-CB 3.78Å; A957-P1038 HydrophobicContact CB-CG 3.95Å
958	P	87	Confident	85.5	Confident	67 Å²	67	60 Å²	60	44%	0.435	31%	0.312	S	S	.	.	S	Bend	trans	-70	-28.2	-179.9	-21.4	32.6	0	0	0	115
959	K	85	Confident	85.4	Confident	162 Å²	162	61.8 Å²	61.8	70%	0.704	33%	0.325	S	S	*	.	S	Bend	trans	-96.7	123.1	-179.7	-174.3	-178.3	177.2	-171.5	0	109.4	A957 H1039	A957-K959 PolarHBondContact O-N 2.92Å; K959-H1039 PolarHBondContact O-CE1 3.1Å
960	P	87	Confident	85.1	Confident	57 Å²	57	56.5 Å²	56.5	37%	0.37	31%	0.306	S	S	.	.	P	Polyproline II helix	trans	-70.8	156.3	174.7	29.4	-34.3	0	0	0	111.9
961	P	86.4	Confident	84.9	Confident	6 Å²	6	59.4 Å²	59.4	4%	0.039	32%	0.323	C	S	.	.	P	Polyproline II helix	trans	-63	159.2	171.4	25.5	-32.3	0	0	0	111.8	G460 R893 L896 V963 H1039	G460-P961 WeakPolarHBondContact O-CD 3.36Å; R893-P961 HydrophobicContact CB-CG 4.17Å; R893-P961 HydrophobicContact CG-CG 4.12Å; L896-P961 HydrophobicContact CB-CG 4.4Å; L896-P961 HydrophobicContact CD2-CG 4.04Å; L896-P961 HydrophobicContact CG-CG 4.49Å; P961-V963 PolarHBondContact O-N 2.88Å; P961-H1039 WeakPolarHBondContact CD-NE2 3.43Å
962	P	80.8	Confident	84.7	Confident	74 Å²	74	56.8 Å²	56.8	48%	0.481	32%	0.315	S	S	.	.	P	Polyproline II helix	trans	-61.3	135	175.3	26.9	-33.7	0	0	0	110.7	F900	F900-P962 HydrophobicContact CD1-CG 4.34Å; F900-P962 HydrophobicContact CE1-CB 4.29Å; F900-P962 HydrophobicContact CE1-CG 4.09Å; F900-P962 WeakPolarHBondContact CE2-O 3.39Å; F900-P962 HydrophobicContact CZ-CB 4.36Å; F900-P962 HydrophobicContact CZ-CG 4.37Å; F900-P962 WeakPolarHBondContact CZ-O 3.13Å
963	V	80.7	Confident	84.7	Confident	43 Å²	43	56.4 Å²	56.4	26%	0.261	31%	0.312	S	S	.	.	S	Bend	trans	-93.4	-25.5	-179.9	177.1	0	0	0	0	112.2	F374 L896 P961	F374-V963 HydrophobicContact CD2-CG1 4.3Å; F374-V963 HydrophobicContact CE2-CG1 3.41Å; F374-V963 VanDerWaalsContact CE2-CG1 3.41Å; F374-V963 HydrophobicContact CZ-CG1 3.57Å; L896-V963 HydrophobicContact CD2-CG2 4.41Å; P961-V963 PolarHBondContact O-N 2.88Å
964	R	82	Confident	84.7	Confident	149 Å²	149	56 Å²	56	56%	0.562	31%	0.308	S	S	*	.			trans	-102	125.5	179.4	-65.1	-173.6	-176	-179.9	1.6	111.5	A375 D379 F900 S967	A375-R964 HydrophobicContact CB-CG 4.08Å; D379-R964 WeakPolarHBondContact OD2-CB 3.39Å; F900-R964 WeakPolarHBondContact CE1-O 3.49Å; R964-S967 PolarHBondContact O-OG 3.48Å
965	I	77.5	Confident	85	Confident	3 Å²	3	55.8 Å²	55.8	2%	0.015	31%	0.305	C	S	.	.	S	Bend	trans	-66.7	-41.3	175.7	-56.9	177.9	0	0	0	110.4	F376 D379 L380 F900 F903 S967 S970	F376-I965 HydrophobicContact CD1-CD1 4.09Å; F376-I965 HydrophobicContact CD2-CD1 3.39Å; F376-I965 HydrophobicContact CD2-CG1 3.2Å; F376-I965 HydrophobicContact CE1-CD1 3.91Å; F376-I965 HydrophobicContact CE2-CD1 3.21Å; F376-I965 HydrophobicContact CE2-CG1 3.27Å; F376-I965 HydrophobicContact CG-CD1 3.8Å; F376-I965 HydrophobicContact CG-CG1 3.97Å; F376-I965 HydrophobicContact CZ-CD1 3.44Å; F376-I965 VanDerWaalsContact CZ-CD1 3.44Å; F376-I965 HydrophobicContact CZ-CG1 4.06Å; F376-I965 WeakPolarHBondContact O-CD1 3.47Å; D379-I965 HydrophobicContact CB-CB 4.08Å; D379-I965 HydrophobicContact CB-CG1 4.5Å; L380-I965 HydrophobicContact CB-CD1 3.95Å; F900-I965 HydrophobicContact CE1-CB 4.29Å; F900-I965 HydrophobicContact CE1-CG1 4.04Å; F900-I965 HydrophobicContact CE2-CG1 4.44Å; F900-I965 HydrophobicContact CZ-CG1 3.93Å; F903-I965 HydrophobicContact CD1-CG2 3.67Å; F903-I965 HydrophobicContact CE1-CG2 3.22Å; F903-I965 HydrophobicContact CZ-CG2 3.9Å; I965-S967 PolarHBondContact O-N 3.41Å; I965-S970 WeakPolarHBondContact O-CB 3.36Å; I965-S970 PolarHBondContact O-OG 3.48Å
966	L	75.9	Confident	85.3	Confident	76 Å²	76	52.5 Å²	52.5	40%	0.398	28%	0.283	S	S	.	.	S	Bend	trans	-77.9	38.6	-175.7	-131.8	89.4	0	0	0	113.3	D379 F383	D379-L966 HydrophobicContact CB-CB 4.44Å; F383-L966 HydrophobicContact CB-CD1 3.91Å; F383-L966 HydrophobicContact CD2-CD1 3.76Å; F383-L966 HydrophobicContact CG-CD1 4.35Å
967	S	78	Confident	85.7	Confident	35 Å²	35	51.6 Å²	51.6	25%	0.245	28%	0.279	C	S	.	.			trans	-80.7	149.2	173.7	51.8	0	0	0	0	110.9	R964 I965 S969 S970 V971	R964-S967 PolarHBondContact O-OG 3.48Å; I965-S967 PolarHBondContact O-N 3.41Å; S967-S969 PolarHBondContact O-N 3.01Å; S967-S970 PolarHBondContact O-N 3.25Å; S967-S970 WeakPolarHBondContact OG-CB 3.43Å; S967-S970 PolarHBondContact OG-OG 2.83Å; S967-V971 PolarHBondContact O-N 3.41Å
968	V	82.1	Confident	86	Confident	78 Å²	78	52.2 Å²	52.2	47%	0.473	28%	0.28	S	S	.	.	H	α-helix	trans	-51.6	-44	177.5	177.6	0	0	0	0	111.1	S970 A972 I1112 T1116	V968-S970 PolarHBondContact O-N 3.11Å; V968-A972 WeakPolarHBondContact O-CB 3.4Å; V968-A972 PolarHBondContact O-N 2.95Å; V968-I1112 HydrophobicContact CG1-CG2 4.29Å; V968-T1116 HydrophobicContact CB-CG2 4.31Å; V968-T1116 HydrophobicContact CG1-CG2 3.9Å
969	S	83.8	Confident	86.4	Confident	39 Å²	39	53.7 Å²	53.7	27%	0.273	28%	0.284	S	S	.	.	H	α-helix	trans	-62.8	-38.1	177.5	-60.4	0	0	0	0	113.5	S967 S973	S967-S969 PolarHBondContact O-N 3.01Å; S969-S973 WeakPolarHBondContact O-CB 3.27Å; S969-S973 PolarHBondContact O-N 2.85Å
970	S	84	Confident	87	Confident	7 Å²	7	47.7 Å²	47.7	5%	0.049	26%	0.259	C	S	.	.	H	α-helix	trans	-74.3	-41.1	-179	-61.2	0	0	0	0	112	I965 S967 V968 S973 L974	I965-S970 WeakPolarHBondContact O-CB 3.36Å; I965-S970 PolarHBondContact O-OG 3.48Å; S967-S970 PolarHBondContact O-N 3.25Å; S967-S970 WeakPolarHBondContact OG-CB 3.43Å; S967-S970 PolarHBondContact OG-OG 2.83Å; V968-S970 PolarHBondContact O-N 3.11Å; S970-S973 PolarHBondContact O-N 2.99Å; S970-L974 PolarHBondContact O-N 3.4Å; S970-L974 VanDerWaalsContact O-N 3.13Å
971	V	85.9	Confident	87.5	Confident	65 Å²	65	45 Å²	45	39%	0.394	24%	0.241	S	C	.	.	H	α-helix	trans	-66.5	-45.7	175.5	177.2	0	0	0	0	110.6	S967 S973 L974 F975	S967-V971 PolarHBondContact O-N 3.41Å; V971-S973 VanDerWaalsContact C-N 3.34Å; V971-S973 PolarHBondContact O-N 2.99Å; V971-L974 PolarHBondContact O-N 3.06Å; V971-F975 WeakPolarHBondContact O-CB 3.3Å; V971-F975 PolarHBondContact O-N 3.35Å
972	A	88.7	Confident	88	Confident	21 Å²	21	47.3 Å²	47.3	17%	0.174	25%	0.254	C	S	.	.	H	α-helix	trans	-64.2	-38.6	177.4	0	0	0	0	0	112.1	V968 F975 L976 I1112	V968-A972 WeakPolarHBondContact O-CB 3.4Å; V968-A972 PolarHBondContact O-N 2.95Å; A972-F975 PolarHBondContact O-N 3.42Å; A972-L976 VanDerWaalsContact O-CB 3.24Å; A972-L976 WeakPolarHBondContact O-CB 3.49Å; A972-L976 WeakPolarHBondContact O-CG 3.4Å; A972-L976 PolarHBondContact O-N 2.93Å; A972-I1112 HydrophobicContact CB-CD1 3.4Å; A972-I1112 VanDerWaalsContact CB-CD1 3.4Å
973	S	92.2	Very high	88.8	Confident	0 Å²	0	46 Å²	46	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-56.1	-53.3	172.7	172.6	0	0	0	0	111.2	S969 S970 V971 F975 L976 Q977 Y1033 E1104	S969-S973 WeakPolarHBondContact O-CB 3.27Å; S969-S973 PolarHBondContact O-N 2.85Å; S970-S973 PolarHBondContact O-N 2.99Å; V971-S973 VanDerWaalsContact C-N 3.34Å; V971-S973 PolarHBondContact O-N 2.99Å; S973-F975 PolarHBondContact O-N 3.13Å; S973-L976 PolarHBondContact O-N 3.31Å; S973-Q977 WeakPolarHBondContact O-CB 3.21Å; S973-Q977 WeakPolarHBondContact O-CG 3.26Å; S973-Q977 PolarHBondContact O-N 3.28Å; S973-Y1033 WeakPolarHBondContact OG-CE1 3.48Å; S973-E1104 PolarHBondContact OG-OE1 3.28Å; S973-E1104 PolarHBondContact OG-OE2 3.37Å
974	L	91.2	Very high	89.6	Confident	11 Å²	11	45.2 Å²	45.2	6%	0.058	24%	0.242	C	C	.	.	H	α-helix	trans	-62.1	-44.1	178.7	-73.5	166.8	0	0	0	112.3	F383 K904 A907 S970 V971 L978 Y1033	F383-L974 HydrophobicContact CE1-CD1 4.09Å; F383-L974 HydrophobicContact CE2-CD1 3.91Å; F383-L974 HydrophobicContact CZ-CD1 3.31Å; K904-L974 HydrophobicContact CB-CD2 4.24Å; K904-L974 WeakPolarHBondContact O-CD2 3.31Å; A907-L974 HydrophobicContact CB-CD1 4.28Å; A907-L974 HydrophobicContact CB-CD2 4.16Å; S970-L974 PolarHBondContact O-N 3.4Å; S970-L974 VanDerWaalsContact O-N 3.13Å; V971-L974 PolarHBondContact O-N 3.06Å; L974-L978 WeakPolarHBondContact O-CB 3.44Å; L974-L978 PolarHBondContact O-N 3.27Å; L974-Y1033 HydrophobicContact CD2-CE2 4.39Å; L974-Y1033 WeakPolarHBondContact CD2-OH 3.24Å
975	F	91.5	Very high	90.4	Very high	133 Å²	133	38.1 Å²	38.1	58%	0.583	22%	0.215	S	C	*	.	H	α-helix	trans	-65.6	-43.9	-179.5	-178.1	-98.9	0	0	0	113.1	V971 A972 S973 L978 L979	V971-F975 WeakPolarHBondContact O-CB 3.3Å; V971-F975 PolarHBondContact O-N 3.35Å; A972-F975 PolarHBondContact O-N 3.42Å; S973-F975 PolarHBondContact O-N 3.13Å; F975-L978 WeakPolarHBondContact O-CB 3.3Å; F975-L978 PolarHBondContact O-N 3.36Å; F975-L979 PolarHBondContact O-N 2.97Å
976	L	95.2	Very high	91.3	Very high	45 Å²	45	40.2 Å²	40.2	24%	0.236	23%	0.228	C	C	.	.	H	α-helix	trans	-67.9	-42.6	179.2	-71.2	170.1	0	0	0	111.6	A972 S973 L978 L979 L980 T1103 I1107 V1108 I1112	A972-L976 VanDerWaalsContact O-CB 3.24Å; A972-L976 WeakPolarHBondContact O-CB 3.49Å; A972-L976 WeakPolarHBondContact O-CG 3.4Å; A972-L976 PolarHBondContact O-N 2.93Å; S973-L976 PolarHBondContact O-N 3.31Å; L976-L978 VanDerWaalsContact C-N 3.31Å; L976-L978 PolarHBondContact O-N 2.82Å; L976-L979 PolarHBondContact O-N 2.92Å; L976-L980 WeakPolarHBondContact O-CG 3.29Å; L976-L980 PolarHBondContact O-N 2.89Å; L976-L980 VanDerWaalsContact O-N 3.12Å; L976-T1103 HydrophobicContact CB-CG2 3.95Å; L976-T1103 HydrophobicContact CD1-CG2 4.33Å; L976-I1107 HydrophobicContact CD1-CG2 3.84Å; L976-V1108 HydrophobicContact CD1-CG2 4.08Å; L976-I1112 HydrophobicContact CD1-CD1 4.27Å
977	Q	96.4	Very high	92.3	Very high	1 Å²	1	40 Å²	40	1%	0.005	23%	0.23	C	C	.	.	H	α-helix	trans	-62	-42.5	174.1	-64	-59.8	-21.2	0	0	110.4	S973 L979 L980 M981 L1029 Y1033 C1100 E1104	S973-Q977 WeakPolarHBondContact O-CB 3.21Å; S973-Q977 WeakPolarHBondContact O-CG 3.26Å; S973-Q977 PolarHBondContact O-N 3.28Å; Q977-L979 PolarHBondContact O-N 2.84Å; Q977-L980 PolarHBondContact O-N 2.97Å; Q977-M981 VanDerWaalsContact O-CG 3.31Å; Q977-M981 WeakPolarHBondContact O-CG 3.39Å; Q977-M981 PolarHBondContact O-N 3.05Å; Q977-L1029 HydrophobicContact CB-CD2 4.22Å; Q977-Y1033 HydrophobicContact CG-CE1 4.39Å; Q977-Y1033 VanDerWaalsContact CG-OH 3.32Å; Q977-Y1033 WeakPolarHBondContact CG-OH 3.4Å; Q977-C1100 PolarHBondContact NE2-O 3.42Å; Q977-C1100 VanDerWaalsContact NE2-O 3.09Å; Q977-C1100 VanDerWaalsContact OE1-CB 3.25Å; Q977-C1100 PolarHBondContact OE1-SG 3.31Å; Q977-C1100 VanDerWaalsContact OE1-SG 3.35Å; Q977-E1104 PolarHBondContact NE2-OE2 3.19Å
978	L	94.6	Very high	93.2	Very high	24 Å²	24	38.4 Å²	38.4	13%	0.126	22%	0.219	C	C	.	.	H	α-helix	trans	-59.2	-43.4	176.8	-172.4	67.4	0	0	0	112.7	L390 L911 L915 L974 F975 L976 L980 M981 L982	L390-L978 HydrophobicContact CD2-CD2 4.31Å; L911-L978 HydrophobicContact CB-CD1 3.57Å; L911-L978 HydrophobicContact CD1-CD2 4.36Å; L915-L978 HydrophobicContact CD1-CD1 3.29Å; L915-L978 HydrophobicContact CD1-CG 3.79Å; L915-L978 HydrophobicContact CG-CD1 3.88Å; L974-L978 WeakPolarHBondContact O-CB 3.44Å; L974-L978 PolarHBondContact O-N 3.27Å; F975-L978 WeakPolarHBondContact O-CB 3.3Å; F975-L978 PolarHBondContact O-N 3.36Å; L976-L978 VanDerWaalsContact C-N 3.31Å; L976-L978 PolarHBondContact O-N 2.82Å; L978-L980 VanDerWaalsContact C-N 3.35Å; L978-L980 PolarHBondContact O-N 2.84Å; L978-M981 PolarHBondContact O-N 2.9Å; L978-L982 WeakPolarHBondContact O-CB 3.48Å; L978-L982 PolarHBondContact O-N 3.45Å
979	L	95.8	Very high	93.9	Very high	98 Å²	98	35.4 Å²	35.4	51%	0.513	20%	0.2	S	C	.	.	H	α-helix	trans	-62.5	-41.6	177.3	-176.2	67.4	0	0	0	111.8	F975 L976 Q977 L982 A983	F975-L979 PolarHBondContact O-N 2.97Å; L976-L979 PolarHBondContact O-N 2.92Å; Q977-L979 PolarHBondContact O-N 2.84Å; L979-L982 PolarHBondContact O-N 3.05Å; L979-A983 WeakPolarHBondContact O-CB 3.34Å; L979-A983 PolarHBondContact O-N 2.88Å
980	L	97.6	Very high	94.4	Very high	36 Å²	36	38.3 Å²	38.3	19%	0.188	21%	0.211	C	C	.	.	H	α-helix	trans	-63.2	-46.6	174.5	-70.3	170.9	0	0	0	111	L976 Q977 L978 L982 A983 F984 T1103	L976-L980 WeakPolarHBondContact O-CG 3.29Å; L976-L980 PolarHBondContact O-N 2.89Å; L976-L980 VanDerWaalsContact O-N 3.12Å; Q977-L980 PolarHBondContact O-N 2.97Å; L978-L980 VanDerWaalsContact C-N 3.35Å; L978-L980 PolarHBondContact O-N 2.84Å; L980-L982 VanDerWaalsContact C-N 3.3Å; L980-L982 PolarHBondContact O-N 2.83Å; L980-A983 PolarHBondContact O-N 3.19Å; L980-F984 VanDerWaalsContact O-CD2 3.31Å; L980-F984 WeakPolarHBondContact O-CD2 3.1Å; L980-F984 PolarHBondContact O-N 2.57Å; L980-F984 VanDerWaalsContact O-N 3.13Å; L980-T1103 HydrophobicContact CD1-CG2 4.03Å; L980-T1103 WeakPolarHBondContact CD1-OG1 3.43Å
981	M	97.4	Very high	95	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-58.4	-45.1	178.1	-63.2	-44.6	167	0	0	111.7	T912 Q977 L978 Q985 Q1025 T1028 L1029 C1100	T912-M981 HydrophobicContact CG2-CB 4.08Å; T912-M981 HydrophobicContact CG2-CG 4.17Å; Q977-M981 VanDerWaalsContact O-CG 3.31Å; Q977-M981 WeakPolarHBondContact O-CG 3.39Å; Q977-M981 PolarHBondContact O-N 3.05Å; L978-M981 PolarHBondContact O-N 2.9Å; M981-Q985 WeakPolarHBondContact O-CB 3.49Å; M981-Q985 VanDerWaalsContact O-CG 3.28Å; M981-Q985 WeakPolarHBondContact O-CG 3.43Å; M981-Q985 PolarHBondContact O-N 2.89Å; M981-Q1025 HydrophobicContact CE-CB 4.39Å; M981-Q1025 PolarHBondContact O-NE2 3.1Å; M981-Q1025 HydrophobicContact SD-CB 3.59Å; M981-Q1025 VanDerWaalsContact SD-CB 3.59Å; M981-Q1025 HydrophobicContact SD-CG 3.43Å; M981-Q1025 WeakPolarHBondContact SD-CG 3.21Å; M981-T1028 HydrophobicContact CE-CG2 4.19Å; M981-L1029 HydrophobicContact CE-CD1 4.45Å; M981-L1029 HydrophobicContact CE-CD2 3.53Å; M981-L1029 HydrophobicContact CE-CG 3.71Å; M981-C1100 WeakPolarHBondContact CE-SG 3.41Å
982	L	96.6	Very high	95.4	Very high	56 Å²	56	39.4 Å²	39.4	29%	0.293	21%	0.208	S	C	.	.	H	α-helix	trans	-60.9	-47.9	176.3	-173.5	55.2	0	0	0	112.1	L915 L919 L978 L979 L980 F984 Q985 V986	L915-L982 HydrophobicContact CB-CD1 4.39Å; L915-L982 HydrophobicContact CD1-CB 3.72Å; L915-L982 HydrophobicContact CD1-CD1 4.13Å; L915-L982 HydrophobicContact CD1-CG 4.36Å; L915-L982 HydrophobicContact CD2-CD1 4.13Å; L915-L982 HydrophobicContact CD2-CD2 4.4Å; L915-L982 HydrophobicContact CG-CD1 4.46Å; L919-L982 HydrophobicContact CD1-CD1 4.37Å; L978-L982 WeakPolarHBondContact O-CB 3.48Å; L978-L982 PolarHBondContact O-N 3.45Å; L979-L982 PolarHBondContact O-N 3.05Å; L980-L982 VanDerWaalsContact C-N 3.3Å; L980-L982 PolarHBondContact O-N 2.83Å; L982-F984 VanDerWaalsContact C-N 3.32Å; L982-F984 PolarHBondContact O-N 2.93Å; L982-Q985 PolarHBondContact O-N 3.01Å; L982-V986 HydrophobicContact CD1-CG2 3.75Å; L982-V986 HydrophobicContact CG-CG2 4.12Å; L982-V986 WeakPolarHBondContact O-CB 3.48Å; L982-V986 VanDerWaalsContact O-CG2 3.29Å; L982-V986 WeakPolarHBondContact O-CG2 3.49Å; L982-V986 PolarHBondContact O-N 3.26Å
983	A	97.9	Very high	95.6	Very high	47 Å²	47	40.9 Å²	40.9	39%	0.388	21%	0.214	S	C	.	.	H	α-helix	trans	-58.2	-44.8	-177	0	0	0	0	0	111.6	L979 L980 T987	L979-A983 WeakPolarHBondContact O-CB 3.34Å; L979-A983 PolarHBondContact O-N 2.88Å; L980-A983 PolarHBondContact O-N 3.19Å; A983-T987 VanDerWaalsContact O-CB 3.32Å; A983-T987 WeakPolarHBondContact O-CB 3.41Å; A983-T987 PolarHBondContact O-N 3.43Å; A983-T987 PolarHBondContact O-OG1 3.08Å
984	F	98.1	Very high	95.6	Very high	26 Å²	26	45.1 Å²	45.1	11%	0.114	24%	0.241	C	C	.	.	H	α-helix	trans	-71.4	-39.1	178.4	-80.1	-100.5	0	0	0	112.7	L980 L982 T987 I988 M1092 V1095 N1096	L980-F984 VanDerWaalsContact O-CD2 3.31Å; L980-F984 WeakPolarHBondContact O-CD2 3.1Å; L980-F984 PolarHBondContact O-N 2.57Å; L980-F984 VanDerWaalsContact O-N 3.13Å; L982-F984 VanDerWaalsContact C-N 3.32Å; L982-F984 PolarHBondContact O-N 2.93Å; F984-T987 PolarHBondContact O-N 2.91Å; F984-I988 PolarHBondContact O-N 3.49Å; F984-I988 VanDerWaalsContact O-N 3.12Å; F984-M1092 HydrophobicContact CD1-CE 3.46Å; F984-M1092 VanDerWaalsContact CD1-CE 3.46Å; F984-M1092 HydrophobicContact CE1-CE 3.45Å; F984-M1092 VanDerWaalsContact CE1-CE 3.45Å; F984-V1095 HydrophobicContact CE1-CB 4.24Å; F984-V1095 HydrophobicContact CE1-CG1 4.06Å; F984-V1095 HydrophobicContact CZ-CG1 4Å; F984-N1096 HydrophobicContact CD1-CB 3.61Å; F984-N1096 HydrophobicContact CD2-CB 4.11Å; F984-N1096 HydrophobicContact CE1-CB 3.64Å; F984-N1096 HydrophobicContact CE2-CB 4.13Å; F984-N1096 HydrophobicContact CG-CB 3.86Å; F984-N1096 HydrophobicContact CZ-CB 3.91Å
985	Q	97.7	Very high	95.7	Very high	0 Å²	0	46 Å²	46	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-61.7	-47.3	174.3	-73.5	179.8	16.2	0	0	111.4	S916 L919 M981 L982 I988 F989 I1021	S916-Q985 VanDerWaalsContact OG-CD 3.22Å; S916-Q985 PolarHBondContact OG-NE2 3.29Å; S916-Q985 PolarHBondContact OG-OE1 2.93Å; L919-Q985 HydrophobicContact CD1-CB 3.68Å; M981-Q985 WeakPolarHBondContact O-CB 3.49Å; M981-Q985 VanDerWaalsContact O-CG 3.28Å; M981-Q985 WeakPolarHBondContact O-CG 3.43Å; M981-Q985 PolarHBondContact O-N 2.89Å; L982-Q985 PolarHBondContact O-N 3.01Å; Q985-I988 PolarHBondContact O-N 3.01Å; Q985-F989 WeakPolarHBondContact O-CB 3.39Å; Q985-F989 PolarHBondContact O-N 2.86Å; Q985-I1021 HydrophobicContact CG-CG2 4.12Å
986	V	97.2	Very high	95.7	Very high	47 Å²	47	45.6 Å²	45.6	29%	0.285	26%	0.255	S	S	.	.	H	α-helix	trans	-63.5	-41.8	177.6	170.9	0	0	0	0	111.4	L919 L982 I988 F989 I990	L919-V986 HydrophobicContact CD1-CG2 4.21Å; L919-V986 HydrophobicContact CD2-CG2 3.86Å; L982-V986 HydrophobicContact CD1-CG2 3.75Å; L982-V986 HydrophobicContact CG-CG2 4.12Å; L982-V986 WeakPolarHBondContact O-CB 3.48Å; L982-V986 VanDerWaalsContact O-CG2 3.29Å; L982-V986 WeakPolarHBondContact O-CG2 3.49Å; L982-V986 PolarHBondContact O-N 3.26Å; V986-I988 VanDerWaalsContact C-N 3.35Å; V986-I988 PolarHBondContact O-N 3.45Å; V986-F989 PolarHBondContact O-N 3.49Å; V986-I990 HydrophobicContact CG1-CD1 3.71Å; V986-I990 HydrophobicContact CG1-CG1 4.38Å; V986-I990 WeakPolarHBondContact O-CG1 3.41Å; V986-I990 PolarHBondContact O-N 3.44Å
987	T	97.5	Very high	95.6	Very high	72 Å²	72	45.6 Å²	45.6	44%	0.442	25%	0.252	S	S	.	.	H	α-helix	trans	-58.1	-47.7	178	-61.7	0	0	0	0	110.9	A983 F984 Y991	A983-T987 VanDerWaalsContact O-CB 3.32Å; A983-T987 WeakPolarHBondContact O-CB 3.41Å; A983-T987 PolarHBondContact O-N 3.43Å; A983-T987 PolarHBondContact O-OG1 3.08Å; F984-T987 PolarHBondContact O-N 2.91Å; T987-Y991 WeakPolarHBondContact O-CB 3.49Å; T987-Y991 PolarHBondContact O-N 2.94Å
988	I	96.6	Very high	95.3	Very high	1 Å²	1	47 Å²	47	1%	0.005	26%	0.258	C	S	.	.	H	α-helix	trans	-68.9	-40.2	177.6	-72.3	174.7	0	0	0	111.5	F984 Q985 V986 I990 Y991 V992 C1017 I1021 M1092	F984-I988 PolarHBondContact O-N 3.49Å; F984-I988 VanDerWaalsContact O-N 3.12Å; Q985-I988 PolarHBondContact O-N 3.01Å; V986-I988 VanDerWaalsContact C-N 3.35Å; V986-I988 PolarHBondContact O-N 3.45Å; I988-I990 VanDerWaalsContact C-N 3.25Å; I988-I990 PolarHBondContact O-N 3.06Å; I988-Y991 PolarHBondContact O-N 3.36Å; I988-V992 WeakPolarHBondContact O-CB 3.43Å; I988-V992 WeakPolarHBondContact O-CG1 3.48Å; I988-V992 PolarHBondContact O-N 3.28Å; I988-C1017 HydrophobicContact CG2-CB 3.57Å; I988-I1021 HydrophobicContact CD1-CB 3.56Å; I988-I1021 HydrophobicContact CD1-CD1 3.72Å; I988-I1021 HydrophobicContact CD1-CG1 3.59Å; I988-I1021 HydrophobicContact CD1-CG2 3.99Å; I988-M1092 HydrophobicContact CD1-CB 4.22Å
989	F	95.4	Very high	95	Very high	15 Å²	15	49.6 Å²	49.6	7%	0.066	28%	0.275	C	S	.	.	H	α-helix	trans	-59.2	-35	178.7	-176.9	-93.7	0	0	0	113	L919 W922 L923 Q985 V986 V992 R1014 V1018	L919-F989 HydrophobicContact CB-CE2 4.5Å; W922-F989 AromaticContact CD1-CZ 3.91Å; L923-F989 HydrophobicContact CD1-CE2 3.63Å; L923-F989 HydrophobicContact CD1-CZ 4.03Å; L923-F989 HydrophobicContact CD2-CE2 4.29Å; L923-F989 HydrophobicContact CD2-CZ 3.82Å; L923-F989 HydrophobicContact CG-CE2 3.88Å; L923-F989 HydrophobicContact CG-CZ 3.78Å; Q985-F989 WeakPolarHBondContact O-CB 3.39Å; Q985-F989 PolarHBondContact O-N 2.86Å; V986-F989 PolarHBondContact O-N 3.49Å; F989-V992 WeakPolarHBondContact O-CG1 3.4Å; F989-R1014 HydrophobicContact CD2-CB 3.96Å; F989-R1014 HydrophobicContact CD2-CG 4.32Å; F989-R1014 HydrophobicContact CE2-CB 3.96Å; F989-R1014 HydrophobicContact CE2-CG 4.37Å; F989-V1018 HydrophobicContact CB-CG2 4.16Å; F989-V1018 HydrophobicContact CD2-CG2 3.81Å; F989-V1018 HydrophobicContact CG-CG2 4.49Å
990	I	95.6	Very high	94.4	Very high	99 Å²	99	49.1 Å²	49.1	51%	0.508	28%	0.277	S	S	.	.	H	α-helix	trans	-84.6	-47.8	174.9	-63	171.2	0	0	0	110.6	V986 I988 V992 T993	V986-I990 HydrophobicContact CG1-CD1 3.71Å; V986-I990 HydrophobicContact CG1-CG1 4.38Å; V986-I990 WeakPolarHBondContact O-CG1 3.41Å; V986-I990 PolarHBondContact O-N 3.44Å; I988-I990 VanDerWaalsContact C-N 3.25Å; I988-I990 PolarHBondContact O-N 3.06Å; I990-V992 VanDerWaalsContact C-N 3.27Å; I990-V992 PolarHBondContact O-N 3.36Å; I990-T993 WeakPolarHBondContact O-CB 3.48Å; I990-T993 PolarHBondContact O-N 3.34Å; I990-T993 PolarHBondContact O-OG1 2.69Å
991	Y	95.6	Very high	93.6	Very high	96 Å²	96	49.4 Å²	49.4	38%	0.376	28%	0.278	S	S	.	.	H	α-helix	trans	-65.3	-27.9	-173.6	-175	-113.5	0	0	0	113.7	T987 I988 T993 T994 Q995 F1085 F1088	T987-Y991 WeakPolarHBondContact O-CB 3.49Å; T987-Y991 PolarHBondContact O-N 2.94Å; I988-Y991 PolarHBondContact O-N 3.36Å; Y991-T993 PolarHBondContact O-N 3.34Å; Y991-T994 WeakPolarHBondContact CD2-OG1 3.33Å; Y991-T994 PolarHBondContact O-N 3.3Å; Y991-T994 PolarHBondContact O-OG1 2.84Å; Y991-Q995 VanDerWaalsContact CE1-NE2 3.32Å; Y991-Q995 VanDerWaalsContact CZ-NE2 3.25Å; Y991-Q995 PolarHBondContact O-NE2 3.1Å; Y991-F1085 AromaticContact CD1-CE2 3.66Å; Y991-F1085 HydrophobicContact CD1-CE2 3.66Å; Y991-F1085 HydrophobicContact CD1-CZ 4.31Å; Y991-F1085 HydrophobicContact CE1-CD2 4.29Å; Y991-F1085 AromaticContact CE1-CE2 3.73Å; Y991-F1085 HydrophobicContact CE1-CE2 3.73Å; Y991-F1088 HydrophobicContact CD1-CD1 4.2Å; Y991-F1088 AromaticContact CD1-CE1 3.5Å; Y991-F1088 HydrophobicContact CD1-CE1 3.5Å; Y991-F1088 VanDerWaalsContact CD1-CE1 3.5Å; Y991-F1088 HydrophobicContact CD1-CZ 4.05Å; Y991-F1088 AromaticContact CE1-CD1 3.98Å; Y991-F1088 HydrophobicContact CE1-CD1 3.98Å; Y991-F1088 AromaticContact CE1-CE1 3.52Å; Y991-F1088 HydrophobicContact CE1-CE1 3.52Å; Y991-F1088 AromaticContact CE1-CZ 3.87Å; Y991-F1088 HydrophobicContact CE1-CZ 3.87Å
992	V	94.7	Very high	92.4	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	31%	0.311	C	S	.	.	G	3₁₀ helix	trans	-62.3	-25.4	173.4	73.4	0	0	0	0	112.2	I988 F989 I990 T994 Q995 W997 F998 R1014 F1085	I988-V992 WeakPolarHBondContact O-CB 3.43Å; I988-V992 WeakPolarHBondContact O-CG1 3.48Å; I988-V992 PolarHBondContact O-N 3.28Å; F989-V992 WeakPolarHBondContact O-CG1 3.4Å; I990-V992 VanDerWaalsContact C-N 3.27Å; I990-V992 PolarHBondContact O-N 3.36Å; V992-T994 VanDerWaalsContact C-N 3.3Å; V992-T994 PolarHBondContact O-N 3.35Å; V992-Q995 WeakPolarHBondContact O-CG 3.41Å; V992-Q995 PolarHBondContact O-N 3.14Å; V992-W997 HydrophobicContact CG2-CH2 3.83Å; V992-W997 HydrophobicContact CG2-CZ3 4.08Å; V992-F998 HydrophobicContact CG1-CD2 4.44Å; V992-F998 HydrophobicContact CG1-CE2 4.25Å; V992-F998 HydrophobicContact CG2-CD2 4.18Å; V992-F998 WeakPolarHBondContact O-CB 3.23Å; V992-F998 VanDerWaalsContact O-CD2 3.28Å; V992-F998 WeakPolarHBondContact O-CD2 3.46Å; V992-F998 WeakPolarHBondContact O-CG 3.38Å; V992-R1014 HydrophobicContact CG1-CB 4.35Å; V992-R1014 HydrophobicContact CG1-CG 3.5Å; V992-R1014 VanDerWaalsContact CG1-CG 3.5Å; V992-F1085 HydrophobicContact CB-CZ 3.96Å; V992-F1085 HydrophobicContact CG2-CE1 4.14Å; V992-F1085 HydrophobicContact CG2-CZ 3.96Å
993	T	92.7	Very high	91.1	Very high	51 Å²	51	57.1 Å²	57.1	31%	0.313	32%	0.317	S	S	.	.	G	3₁₀ helix	trans	-78.8	-15.7	-179	76	0	0	0	0	113.3	I990 Y991 Q995 F998 R1014	I990-T993 WeakPolarHBondContact O-CB 3.48Å; I990-T993 PolarHBondContact O-N 3.34Å; I990-T993 PolarHBondContact O-OG1 2.69Å; Y991-T993 PolarHBondContact O-N 3.34Å; T993-Q995 VanDerWaalsContact C-N 3.28Å; T993-F998 HydrophobicContact CG2-CE1 4.14Å; T993-F998 HydrophobicContact CG2-CE2 4.28Å; T993-F998 HydrophobicContact CG2-CZ 3.94Å; T993-R1014 HydrophobicContact CG2-CG 4.45Å; T993-R1014 VanDerWaalsContact CG2-NH2 3.33Å
994	T	93.4	Very high	89.5	Confident	90 Å²	90	56.8 Å²	56.8	55%	0.552	31%	0.311	S	S	*	.	G	3₁₀ helix	trans	-87.4	-2.3	177.4	67.4	0	0	0	0	112.2	Y991 V992	Y991-T994 WeakPolarHBondContact CD2-OG1 3.33Å; Y991-T994 PolarHBondContact O-N 3.3Å; Y991-T994 PolarHBondContact O-OG1 2.84Å; V992-T994 VanDerWaalsContact C-N 3.3Å; V992-T994 PolarHBondContact O-N 3.35Å
995	Q	93.3	Very high	87.8	Confident	28 Å²	28	62 Å²	62	13%	0.131	34%	0.339	C	S	.	.	S	Bend	trans	-81.5	142.3	-177.4	-55.7	-55.9	-53.8	0	0	111.6	Y991 V992 T993 W997 F998 F1085	Y991-Q995 VanDerWaalsContact CE1-NE2 3.32Å; Y991-Q995 VanDerWaalsContact CZ-NE2 3.25Å; Y991-Q995 PolarHBondContact O-NE2 3.1Å; V992-Q995 WeakPolarHBondContact O-CG 3.41Å; V992-Q995 PolarHBondContact O-N 3.14Å; T993-Q995 VanDerWaalsContact C-N 3.28Å; Q995-W997 VanDerWaalsContact C-N 3.27Å; Q995-W997 HydrophobicContact CB-CD2 4.01Å; Q995-W997 HydrophobicContact CB-CE3 4.48Å; Q995-W997 HydrophobicContact CB-CH2 4.1Å; Q995-W997 HydrophobicContact CB-CZ2 3.59Å; Q995-W997 HydrophobicContact CG-CH2 4.03Å; Q995-W997 HydrophobicContact CG-CZ2 3.56Å; Q995-W997 PolarHBondContact O-N 2.94Å; Q995-F998 HydrophobicContact CB-CB 4.42Å; Q995-F998 WeakPolarHBondContact O-CB 3.31Å; Q995-F998 PolarHBondContact O-N 2.97Å; Q995-F998 VanDerWaalsContact O-N 3.07Å; Q995-F1085 HydrophobicContact CG-CD2 3.8Å; Q995-F1085 HydrophobicContact CG-CE2 3.53Å; Q995-F1085 HydrophobicContact CG-CZ 4.27Å
996	P	90.9	Very high	85.7	Confident	126 Å²	126	70.2 Å²	70.2	82%	0.818	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.1	-26.4	-175.2	25.8	-34.5	0	0	0	113.7	F998	P996-F998 VanDerWaalsContact C-N 3.32Å
997	W	91.8	Very high	83.7	Confident	45 Å²	45	69.3 Å²	69.3	17%	0.17	38%	0.38	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.9	2.7	177.4	47.8	-100.3	0	0	0	113	V992 Q995 V999 Y1013 P1080 F1085	V992-W997 HydrophobicContact CG2-CH2 3.83Å; V992-W997 HydrophobicContact CG2-CZ3 4.08Å; Q995-W997 VanDerWaalsContact C-N 3.27Å; Q995-W997 HydrophobicContact CB-CD2 4.01Å; Q995-W997 HydrophobicContact CB-CE3 4.48Å; Q995-W997 HydrophobicContact CB-CH2 4.1Å; Q995-W997 HydrophobicContact CB-CZ2 3.59Å; Q995-W997 HydrophobicContact CG-CH2 4.03Å; Q995-W997 HydrophobicContact CG-CZ2 3.56Å; Q995-W997 PolarHBondContact O-N 2.94Å; W997-V999 PolarHBondContact O-N 3.26Å; W997-Y1013 HydrophobicContact CE3-CD1 4.2Å; W997-Y1013 HydrophobicContact CE3-CE1 4.06Å; W997-Y1013 HydrophobicContact CE3-CE2 4.5Å; W997-Y1013 HydrophobicContact CE3-CG 4.49Å; W997-Y1013 AromaticContact CZ3-CD1 3.69Å; W997-Y1013 HydrophobicContact CZ3-CD1 3.69Å; W997-Y1013 AromaticContact CZ3-CE1 3.98Å; W997-Y1013 HydrophobicContact CZ3-CE1 3.98Å; W997-Y1013 AromaticContact CZ3-CG 3.99Å; W997-Y1013 HydrophobicContact CZ3-CG 3.99Å; W997-P1080 HydrophobicContact CH2-CB 3.61Å; W997-P1080 HydrophobicContact CH2-CG 4.18Å; W997-P1080 HydrophobicContact CZ2-CB 4.06Å; W997-P1080 HydrophobicContact CZ3-CB 4.02Å; W997-F1085 AromaticContact CH2-CD1 3.7Å; W997-F1085 HydrophobicContact CH2-CD1 3.7Å; W997-F1085 HydrophobicContact CH2-CD2 4.33Å; W997-F1085 AromaticContact CH2-CE1 3.85Å; W997-F1085 HydrophobicContact CH2-CE1 3.85Å; W997-F1085 HydrophobicContact CH2-CE2 4.46Å; W997-F1085 AromaticContact CH2-CG 3.95Å; W997-F1085 HydrophobicContact CH2-CG 3.95Å; W997-F1085 HydrophobicContact CH2-CZ 4.24Å; W997-F1085 HydrophobicContact CZ2-CB 3.74Å; W997-F1085 AromaticContact CZ2-CD1 3.69Å; W997-F1085 HydrophobicContact CZ2-CD1 3.69Å; W997-F1085 AromaticContact CZ2-CD2 3.74Å; W997-F1085 HydrophobicContact CZ2-CD2 3.74Å; W997-F1085 HydrophobicContact CZ2-CE1 4.19Å; W997-F1085 HydrophobicContact CZ2-CE2 4.23Å; W997-F1085 AromaticContact CZ2-CG 3.44Å; W997-F1085 HydrophobicContact CZ2-CG 3.44Å; W997-F1085 VanDerWaalsContact CZ2-CG 3.44Å; W997-F1085 HydrophobicContact CZ2-CZ 4.44Å
998	F	91.5	Very high	82	Confident	31 Å²	31	69.7 Å²	69.7	14%	0.136	38%	0.377	C	S	.	.	P	Polyproline II helix	trans	-69.4	120.7	-178	178.2	-103.2	0	0	0	111.2	V992 T993 Q995 P996 P1000 Y1013 R1014	V992-F998 HydrophobicContact CG1-CD2 4.44Å; V992-F998 HydrophobicContact CG1-CE2 4.25Å; V992-F998 HydrophobicContact CG2-CD2 4.18Å; V992-F998 WeakPolarHBondContact O-CB 3.23Å; V992-F998 VanDerWaalsContact O-CD2 3.28Å; V992-F998 WeakPolarHBondContact O-CD2 3.46Å; V992-F998 WeakPolarHBondContact O-CG 3.38Å; T993-F998 HydrophobicContact CG2-CE1 4.14Å; T993-F998 HydrophobicContact CG2-CE2 4.28Å; T993-F998 HydrophobicContact CG2-CZ 3.94Å; Q995-F998 HydrophobicContact CB-CB 4.42Å; Q995-F998 WeakPolarHBondContact O-CB 3.31Å; Q995-F998 PolarHBondContact O-N 2.97Å; Q995-F998 VanDerWaalsContact O-N 3.07Å; P996-F998 VanDerWaalsContact C-N 3.32Å; F998-P1000 HydrophobicContact CD1-CG 4.42Å; F998-P1000 HydrophobicContact CE1-CB 4.25Å; F998-P1000 HydrophobicContact CE1-CG 4Å; F998-Y1013 HydrophobicContact CD2-CD2 4.26Å; F998-R1014 HydrophobicContact CE2-CG 4Å; F998-R1014 HydrophobicContact CZ-CG 4.3Å
999	V	87.3	Confident	80.6	Confident	77 Å²	77	72 Å²	72	47%	0.467	39%	0.391	S	S	.	.	P	Polyproline II helix	trans	-102.9	120.3	169.8	-177.2	0	0	0	0	108.8	W997 Y1013	W997-V999 PolarHBondContact O-N 3.26Å; V999-Y1013 HydrophobicContact CB-CD2 4.4Å; V999-Y1013 HydrophobicContact CB-CE2 3.97Å; V999-Y1013 HydrophobicContact CG2-CE2 4.15Å
1000	P	84.5	Confident	79.4	Confident	88 Å²	88	75.1 Å²	75.1	57%	0.571	40%	0.403	S	S	*	.	P	Polyproline II helix	trans	-54.5	146.2	175	-25	33.6	0	0	0	112.4	F998 T1002	F998-P1000 HydrophobicContact CD1-CG 4.42Å; F998-P1000 HydrophobicContact CE1-CB 4.25Å; F998-P1000 HydrophobicContact CE1-CG 4Å; P1000-T1002 PolarHBondContact O-N 2.96Å
1001	H	80.3	Confident	78.7	Confident	42 Å²	42	73.4 Å²	73.4	19%	0.194	40%	0.398	C	S	.	.	P	Polyproline II helix	trans	-72.3	126.4	176.3	174.6	76.7	0	0	0	110.3	L923	L923-H1001 PolarHBondContact O-CD2 2.96Å
1002	T	72.4	Confident	78.4	Confident	114 Å²	114	69 Å²	69	70%	0.699	38%	0.381	S	S	*	.			trans	-87.9	109.7	171.9	47.9	0	0	0	0	109.3	P1000	P1000-T1002 PolarHBondContact O-N 2.96Å
1003	Y	68.5	Low	78.3	Confident	105 Å²	105	70.1 Å²	70.1	41%	0.412	39%	0.386	S	S	.	.			trans	-65.5	134.3	171.9	-179	-101.7	0	0	0	109.8	L1005	Y1003-L1005 HydrophobicContact CE1-CD2 4.19Å; Y1003-L1005 HydrophobicContact CE1-CG 4.23Å
1004	S	65.3	Low	78.3	Confident	40 Å²	40	70.3 Å²	70.3	28%	0.28	38%	0.381	S	S	.	.			trans	-132.1	139.9	175.6	163.2	0	0	0	0	109.6	M1006 Y1010	S1004-M1006 VanDerWaalsContact C-N 3.29Å; S1004-M1006 PolarHBondContact OG-N 3.35Å; S1004-Y1010 VanDerWaalsContact CB-OH 3.31Å; S1004-Y1010 WeakPolarHBondContact CB-OH 3.39Å; S1004-Y1010 PolarHBondContact OG-OH 3.02Å
1005	L	61.3	Low	78.2	Confident	134 Å²	134	66.3 Å²	66.3	70%	0.702	36%	0.357	S	S	*	.	S	Bend	trans	-76.8	-15.5	176.3	-73.9	157.3	0	0	0	112.8	Y1003	Y1003-L1005 HydrophobicContact CE1-CD2 4.19Å; Y1003-L1005 HydrophobicContact CE1-CG 4.23Å
1006	M	52.9	Low	78.3	Confident	173 Å²	173	65 Å²	65	85%	0.852	35%	0.351	S	S	*	.	S	Bend	trans	-92.6	-9.3	-170.5	-66.1	-76.1	108.3	0	0	114.5	S1004	S1004-M1006 VanDerWaalsContact C-N 3.29Å; S1004-M1006 PolarHBondContact OG-N 3.35Å
1007	G	55.8	Low	78.5	Confident	28 Å²	28	59 Å²	59	29%	0.289	31%	0.312	S	S	.	.			trans	-150.3	153.3	-177.8	0	0	0	0	0	112.8	Y1010	G1007-Y1010 VanDerWaalsContact CA-OH 3.29Å; G1007-Y1010 WeakPolarHBondContact CA-OH 3.23Å; G1007-Y1010 PolarHBondContact N-OH 2.95Å; G1007-Y1010 VanDerWaalsContact N-OH 3.14Å; G1007-Y1010 VanDerWaalsContact O-CE2 3.24Å; G1007-Y1010 WeakPolarHBondContact O-CE2 3.34Å
1008	E	62.4	Low	78.7	Confident	81 Å²	81	56.9 Å²	56.9	38%	0.379	30%	0.304	S	S	.	.	S	Bend	trans	-101	-28.7	-163.4	-53.6	-151.3	149.8	0	0	114.7	K411 R415	K411-E1008 IonicContact NZ-OE1 3.13Å; K411-E1008 PolarHBondContact NZ-OE1 3.37Å; K411-E1008 VanDerWaalsContact NZ-OE1 3.13Å; R415-E1008 IonicContact NH2-OE2 2.82Å; R415-E1008 PolarHBondContact NH2-OE2 3.48Å
1009	V	67.4	Low	79	Confident	49 Å²	49	55.4 Å²	55.4	30%	0.297	30%	0.298	S	S	.	.			trans	-134.3	115.7	178.5	-177.7	0	0	0	0	108.5	N926 A928	N926-V1009 HydrophobicContact CB-CG2 4.5Å; A928-V1009 HydrophobicContact CB-CG1 4.14Å
1010	Y	70.2	Confident	79.4	Confident	81 Å²	81	51.8 Å²	51.8	32%	0.318	28%	0.275	S	S	.	.			trans	-117.5	140.3	173.1	-62.1	-84.9	0	0	0	111	S1004 G1007 S1012	S1004-Y1010 VanDerWaalsContact CB-OH 3.31Å; S1004-Y1010 WeakPolarHBondContact CB-OH 3.39Å; S1004-Y1010 PolarHBondContact OG-OH 3.02Å; G1007-Y1010 VanDerWaalsContact CA-OH 3.29Å; G1007-Y1010 WeakPolarHBondContact CA-OH 3.23Å; G1007-Y1010 PolarHBondContact N-OH 2.95Å; G1007-Y1010 VanDerWaalsContact N-OH 3.14Å; G1007-Y1010 VanDerWaalsContact O-CE2 3.24Å; G1007-Y1010 WeakPolarHBondContact O-CE2 3.34Å; Y1010-S1012 PolarHBondContact O-N 3.43Å; Y1010-S1012 VanDerWaalsContact O-N 3.13Å
1011	P	79.9	Confident	80	Confident	62 Å²	62	47.6 Å²	47.6	40%	0.403	25%	0.248	S	C	.	.			trans	-60.6	119.7	176.3	24.5	-32	0	0	0	109.6	V1076 K1078	P1011-V1076 HydrophobicContact CB-CG1 4.03Å; P1011-V1076 HydrophobicContact CG-CG1 4.23Å; P1011-K1078 HydrophobicContact CB-CB 4.05Å
1012	S	89.2	Confident	80.8	Confident	3 Å²	3	45.6 Å²	45.6	2%	0.021	24%	0.239	C	C	.	.			trans	-131.9	145.2	176.1	77	0	0	0	0	110.5	Y1010 R1014 A1015 S1016	Y1010-S1012 PolarHBondContact O-N 3.43Å; Y1010-S1012 VanDerWaalsContact O-N 3.13Å; S1012-R1014 VanDerWaalsContact C-N 3.27Å; S1012-R1014 PolarHBondContact O-N 3.31Å; S1012-A1015 PolarHBondContact O-N 2.79Å; S1012-A1015 WeakPolarHBondContact OG-CB 3.46Å; S1012-A1015 PolarHBondContact OG-N 3.27Å; S1012-A1015 VanDerWaalsContact OG-N 3.11Å; S1012-S1016 PolarHBondContact O-N 2.78Å; S1012-S1016 PolarHBondContact O-OG 3.5Å
1013	Y	92.6	Very high	82	Confident	24 Å²	24	40.1 Å²	40.1	9%	0.094	21%	0.206	C	C	.	.	H	α-helix	trans	-59.3	-40.4	-179.8	-71.5	-65.4	0	0	0	111.7	W997 F998 V999 C1017 K1078	W997-Y1013 HydrophobicContact CE3-CD1 4.2Å; W997-Y1013 HydrophobicContact CE3-CE1 4.06Å; W997-Y1013 HydrophobicContact CE3-CE2 4.5Å; W997-Y1013 HydrophobicContact CE3-CG 4.49Å; W997-Y1013 AromaticContact CZ3-CD1 3.69Å; W997-Y1013 HydrophobicContact CZ3-CD1 3.69Å; W997-Y1013 AromaticContact CZ3-CE1 3.98Å; W997-Y1013 HydrophobicContact CZ3-CE1 3.98Å; W997-Y1013 AromaticContact CZ3-CG 3.99Å; W997-Y1013 HydrophobicContact CZ3-CG 3.99Å; F998-Y1013 HydrophobicContact CD2-CD2 4.26Å; V999-Y1013 HydrophobicContact CB-CD2 4.4Å; V999-Y1013 HydrophobicContact CB-CE2 3.97Å; V999-Y1013 HydrophobicContact CG2-CE2 4.15Å; Y1013-C1017 VanDerWaalsContact O-CB 3.24Å; Y1013-C1017 WeakPolarHBondContact O-CB 3.31Å; Y1013-C1017 PolarHBondContact O-N 2.74Å; Y1013-C1017 PolarHBondContact O-SG 2.99Å; Y1013-K1078 HydrophobicContact CD1-CB 4.23Å; Y1013-K1078 HydrophobicContact CD1-CD 4.1Å; Y1013-K1078 HydrophobicContact CD1-CG 3.85Å; Y1013-K1078 WeakPolarHBondContact CD1-O 3.17Å; Y1013-K1078 HydrophobicContact CD2-CD 3.77Å; Y1013-K1078 HydrophobicContact CD2-CG 4.42Å; Y1013-K1078 HydrophobicContact CE1-CB 4.45Å; Y1013-K1078 HydrophobicContact CE1-CD 4.05Å; Y1013-K1078 HydrophobicContact CE1-CG 3.66Å; Y1013-K1078 HydrophobicContact CE2-CD 3.72Å; Y1013-K1078 HydrophobicContact CE2-CG 4.26Å; Y1013-K1078 HydrophobicContact CG-CD 3.96Å; Y1013-K1078 HydrophobicContact CG-CG 4.22Å
1014	R	93.1	Very high	83.4	Confident	55 Å²	55	35.8 Å²	35.8	21%	0.208	19%	0.189	C	C	.	.	H	α-helix	trans	-62.9	-46.8	176.2	-70.2	-176.8	-155.4	-172.3	9.6	111.9	L923 F989 V992 T993 F998 S1012 C1017 V1018	L923-R1014 HydrophobicContact CD1-CB 3.54Å; L923-R1014 HydrophobicContact CD1-CG 4.3Å; F989-R1014 HydrophobicContact CD2-CB 3.96Å; F989-R1014 HydrophobicContact CD2-CG 4.32Å; F989-R1014 HydrophobicContact CE2-CB 3.96Å; F989-R1014 HydrophobicContact CE2-CG 4.37Å; V992-R1014 HydrophobicContact CG1-CB 4.35Å; V992-R1014 HydrophobicContact CG1-CG 3.5Å; V992-R1014 VanDerWaalsContact CG1-CG 3.5Å; T993-R1014 HydrophobicContact CG2-CG 4.45Å; T993-R1014 VanDerWaalsContact CG2-NH2 3.33Å; F998-R1014 HydrophobicContact CE2-CG 4Å; F998-R1014 HydrophobicContact CZ-CG 4.3Å; S1012-R1014 VanDerWaalsContact C-N 3.27Å; S1012-R1014 PolarHBondContact O-N 3.31Å; R1014-C1017 PolarHBondContact O-N 2.6Å; R1014-V1018 WeakPolarHBondContact O-CG2 3.35Å; R1014-V1018 PolarHBondContact O-N 2.93Å
1015	A	92.6	Very high	85	Confident	7 Å²	7	34 Å²	34	6%	0.058	18%	0.176	C	C	.	.	H	α-helix	trans	-63.5	-46.4	-179.8	0	0	0	0	0	112.1	L920 T925 S1012 C1017 V1018 F1019	L920-A1015 HydrophobicContact CD1-CB 4.3Å; L920-A1015 HydrophobicContact CD2-CB 3.72Å; T925-A1015 HydrophobicContact CG2-CB 4.26Å; S1012-A1015 PolarHBondContact O-N 2.79Å; S1012-A1015 WeakPolarHBondContact OG-CB 3.46Å; S1012-A1015 PolarHBondContact OG-N 3.27Å; S1012-A1015 VanDerWaalsContact OG-N 3.11Å; A1015-C1017 PolarHBondContact O-N 2.93Å; A1015-V1018 PolarHBondContact O-N 2.84Å; A1015-F1019 WeakPolarHBondContact O-CB 3.36Å; A1015-F1019 PolarHBondContact O-N 3.45Å
1016	S	94.5	Very high	86.7	Confident	1 Å²	1	27.6 Å²	27.6	1%	0.007	14%	0.142	C	C	.	.	H	α-helix	trans	-64.7	-39.1	178	-58.3	0	0	0	0	112.3	S1012 F1019 M1020 K1078	S1012-S1016 PolarHBondContact O-N 2.78Å; S1012-S1016 PolarHBondContact O-OG 3.5Å; S1016-F1019 PolarHBondContact O-N 2.83Å; S1016-M1020 WeakPolarHBondContact O-CB 3.42Å; S1016-M1020 WeakPolarHBondContact O-CG 3.15Å; S1016-M1020 PolarHBondContact O-N 3.14Å; S1016-K1078 WeakPolarHBondContact CB-O 3.46Å; S1016-K1078 PolarHBondContact OG-N 3.43Å
1017	C	95.8	Very high	88.8	Confident	0 Å²	0	19.8 Å²	19.8	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-68.8	-38.7	176.6	-69.5	0	0	0	0	113	I988 Y1013 R1014 A1015 M1020 I1021 I1089	I988-C1017 HydrophobicContact CG2-CB 3.57Å; Y1013-C1017 VanDerWaalsContact O-CB 3.24Å; Y1013-C1017 WeakPolarHBondContact O-CB 3.31Å; Y1013-C1017 PolarHBondContact O-N 2.74Å; Y1013-C1017 PolarHBondContact O-SG 2.99Å; R1014-C1017 PolarHBondContact O-N 2.6Å; A1015-C1017 PolarHBondContact O-N 2.93Å; C1017-M1020 PolarHBondContact O-N 3.41Å; C1017-I1021 WeakPolarHBondContact O-CG2 3.44Å; C1017-I1021 PolarHBondContact O-N 3.08Å; C1017-I1089 HydrophobicContact CB-CD1 4.47Å
1018	V	96.2	Very high	90.7	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-63.2	-43.5	173.1	170.1	0	0	0	0	110.5	L920 F989 R1014 A1015 I1021 S1022	L920-V1018 HydrophobicContact CD2-CB 4.41Å; F989-V1018 HydrophobicContact CB-CG2 4.16Å; F989-V1018 HydrophobicContact CD2-CG2 3.81Å; F989-V1018 HydrophobicContact CG-CG2 4.49Å; R1014-V1018 WeakPolarHBondContact O-CG2 3.35Å; R1014-V1018 PolarHBondContact O-N 2.93Å; A1015-V1018 PolarHBondContact O-N 2.84Å; V1018-I1021 WeakPolarHBondContact O-CG2 3.49Å; V1018-S1022 VanDerWaalsContact O-CB 3.26Å; V1018-S1022 WeakPolarHBondContact O-CB 3.3Å; V1018-S1022 PolarHBondContact O-N 3.1Å; V1018-S1022 PolarHBondContact O-OG 2.67Å
1019	F	96.3	Very high	92.4	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-59.5	-50.8	173.3	169.5	-102.2	0	0	0	111.7	Q931 L934 I935 A1015 S1016 I1021 S1022 I1023 I1063 L1075 L1077	Q931-F1019 HydrophobicContact CB-CD2 3.74Å; Q931-F1019 HydrophobicContact CB-CE2 3.52Å; Q931-F1019 HydrophobicContact CB-CZ 4.24Å; Q931-F1019 HydrophobicContact CG-CD1 4.49Å; Q931-F1019 HydrophobicContact CG-CD2 3.74Å; Q931-F1019 HydrophobicContact CG-CE1 4.38Å; Q931-F1019 HydrophobicContact CG-CE2 3.62Å; Q931-F1019 HydrophobicContact CG-CG 4.17Å; Q931-F1019 HydrophobicContact CG-CZ 3.95Å; L934-F1019 HydrophobicContact CD2-CZ 3.89Å; I935-F1019 HydrophobicContact CD1-CD2 4.26Å; I935-F1019 HydrophobicContact CD1-CE2 4.08Å; I935-F1019 HydrophobicContact CG1-CE2 4.36Å; A1015-F1019 WeakPolarHBondContact O-CB 3.36Å; A1015-F1019 PolarHBondContact O-N 3.45Å; S1016-F1019 PolarHBondContact O-N 2.83Å; F1019-I1021 VanDerWaalsContact C-N 3.33Å; F1019-I1021 PolarHBondContact O-N 2.9Å; F1019-S1022 WeakPolarHBondContact CA-OG 3.39Å; F1019-S1022 PolarHBondContact O-N 2.91Å; F1019-S1022 PolarHBondContact O-OG 3.34Å; F1019-I1023 HydrophobicContact CD2-CG2 4.11Å; F1019-I1023 HydrophobicContact CE1-CG2 4.32Å; F1019-I1023 HydrophobicContact CE2-CG2 3.62Å; F1019-I1023 HydrophobicContact CZ-CG2 3.76Å; F1019-I1023 PolarHBondContact O-N 3.46Å; F1019-I1023 VanDerWaalsContact O-N 3.08Å; F1019-I1063 HydrophobicContact CE1-CG2 4.11Å; F1019-L1075 HydrophobicContact CE1-CD1 4.29Å; F1019-L1075 HydrophobicContact CZ-CD1 4.29Å; F1019-L1077 HydrophobicContact CD1-CD2 3.57Å; F1019-L1077 HydrophobicContact CE1-CD1 4.5Å; F1019-L1077 HydrophobicContact CE1-CD2 3.85Å
1020	M	96.5	Very high	93.7	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-59.3	-37.4	-179.2	-74.9	171.3	-175.4	0	0	113.1	S1016 C1017 I1023 F1024 T1064 V1079 I1089	S1016-M1020 WeakPolarHBondContact O-CB 3.42Å; S1016-M1020 WeakPolarHBondContact O-CG 3.15Å; S1016-M1020 PolarHBondContact O-N 3.14Å; C1017-M1020 PolarHBondContact O-N 3.41Å; M1020-I1023 WeakPolarHBondContact O-CG1 3.17Å; M1020-F1024 WeakPolarHBondContact O-CD2 3.49Å; M1020-F1024 WeakPolarHBondContact O-CE2 3.11Å; M1020-T1064 HydrophobicContact CB-CG2 4.14Å; M1020-T1064 HydrophobicContact CG-CG2 4.3Å; M1020-T1064 HydrophobicContact SD-CG2 4.28Å; M1020-V1079 HydrophobicContact CE-CG2 4.48Å; M1020-I1089 HydrophobicContact CB-CD1 4.43Å; M1020-I1089 HydrophobicContact CB-CG2 4.2Å; M1020-I1089 HydrophobicContact SD-CD1 4.06Å
1021	I	97.4	Very high	94.9	Very high	0 Å²	0	10 Å²	10	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-74.2	-38.9	172.8	-169.8	66.5	0	0	0	111.8	Q985 I988 C1017 V1018 F1019 I1023 F1024 Q1025 M1092 A1093	Q985-I1021 HydrophobicContact CG-CG2 4.12Å; I988-I1021 HydrophobicContact CD1-CB 3.56Å; I988-I1021 HydrophobicContact CD1-CD1 3.72Å; I988-I1021 HydrophobicContact CD1-CG1 3.59Å; I988-I1021 HydrophobicContact CD1-CG2 3.99Å; C1017-I1021 WeakPolarHBondContact O-CG2 3.44Å; C1017-I1021 PolarHBondContact O-N 3.08Å; V1018-I1021 WeakPolarHBondContact O-CG2 3.49Å; F1019-I1021 VanDerWaalsContact C-N 3.33Å; F1019-I1021 PolarHBondContact O-N 2.9Å; I1021-I1023 VanDerWaalsContact C-N 3.35Å; I1021-I1023 PolarHBondContact O-N 3.48Å; I1021-F1024 PolarHBondContact O-N 2.93Å; I1021-Q1025 WeakPolarHBondContact O-CG 3.37Å; I1021-Q1025 PolarHBondContact O-N 2.91Å; I1021-M1092 HydrophobicContact CD1-CB 4.39Å; I1021-A1093 HydrophobicContact CD1-CB 3.87Å
1022	S	97.1	Very high	95.6	Very high	0 Å²	0	7.4 Å²	7.4	0%	0	4%	0.036	C	C	.	.	H	α-helix	trans	-63.3	-36.3	-175.9	73.2	0	0	0	0	113.2	V1018 F1019 F1024 Q1025 Y1026	V1018-S1022 VanDerWaalsContact O-CB 3.26Å; V1018-S1022 WeakPolarHBondContact O-CB 3.3Å; V1018-S1022 PolarHBondContact O-N 3.1Å; V1018-S1022 PolarHBondContact O-OG 2.67Å; F1019-S1022 WeakPolarHBondContact CA-OG 3.39Å; F1019-S1022 PolarHBondContact O-N 2.91Å; F1019-S1022 PolarHBondContact O-OG 3.34Å; S1022-F1024 VanDerWaalsContact C-N 3.25Å; S1022-F1024 PolarHBondContact O-N 2.93Å; S1022-Q1025 WeakPolarHBondContact O-CA 3.39Å; S1022-Q1025 VanDerWaalsContact O-CB 3.3Å; S1022-Q1025 WeakPolarHBondContact O-CB 3.44Å; S1022-Q1025 PolarHBondContact O-N 3.33Å; S1022-Y1026 WeakPolarHBondContact O-CD2 3.45Å; S1022-Y1026 WeakPolarHBondContact O-CE2 3.19Å; S1022-Y1026 PolarHBondContact O-N 2.61Å
1023	I	97.2	Very high	95.8	Very high	0 Å²	0	7.7 Å²	7.7	0%	0	4%	0.036	C	C	.	.	H	α-helix	trans	-61.5	-33.2	178.5	58.7	176.4	0	0	0	112.6	I935 F1019 M1020 I1021 C1060 I1063	I935-I1023 HydrophobicContact CG1-CG2 4.42Å; F1019-I1023 HydrophobicContact CD2-CG2 4.11Å; F1019-I1023 HydrophobicContact CE1-CG2 4.32Å; F1019-I1023 HydrophobicContact CE2-CG2 3.62Å; F1019-I1023 HydrophobicContact CZ-CG2 3.76Å; F1019-I1023 PolarHBondContact O-N 3.46Å; F1019-I1023 VanDerWaalsContact O-N 3.08Å; M1020-I1023 WeakPolarHBondContact O-CG1 3.17Å; I1021-I1023 VanDerWaalsContact C-N 3.35Å; I1021-I1023 PolarHBondContact O-N 3.48Å; I1023-C1060 HydrophobicContact CD1-CB 3.77Å; I1023-C1060 HydrophobicContact CG1-CB 4.06Å; I1023-I1063 HydrophobicContact CD1-CB 4.47Å; I1023-I1063 HydrophobicContact CD1-CG2 4.22Å
1024	F	98	Very high	95.8	Very high	14 Å²	14	7 Å²	7	6%	0.061	4%	0.035	C	C	.	.	H	α-helix	trans	-77	-29.3	171.3	-63.6	-74.4	0	0	0	113	M1020 I1021 S1022 Y1026 I1027 T1028 C1060 V1061 T1064 L1090 A1093	M1020-F1024 WeakPolarHBondContact O-CD2 3.49Å; M1020-F1024 WeakPolarHBondContact O-CE2 3.11Å; I1021-F1024 PolarHBondContact O-N 2.93Å; S1022-F1024 VanDerWaalsContact C-N 3.25Å; S1022-F1024 PolarHBondContact O-N 2.93Å; F1024-Y1026 VanDerWaalsContact C-N 3.35Å; F1024-I1027 PolarHBondContact O-N 3.13Å; F1024-T1028 WeakPolarHBondContact O-CB 3.39Å; F1024-T1028 PolarHBondContact O-N 3.24Å; F1024-T1028 PolarHBondContact O-OG1 3.49Å; F1024-C1060 HydrophobicContact CD1-CB 3.97Å; F1024-C1060 HydrophobicContact CE1-CB 3.53Å; F1024-C1060 HydrophobicContact CE2-CB 4.43Å; F1024-C1060 HydrophobicContact CZ-CB 3.79Å; F1024-C1060 WeakPolarHBondContact CZ-O 3.22Å; F1024-V1061 HydrophobicContact CE1-CG2 3.94Å; F1024-V1061 HydrophobicContact CZ-CG2 4.18Å; F1024-T1064 HydrophobicContact CE2-CG2 4.18Å; F1024-T1064 VanDerWaalsContact CE2-OG1 3.28Å; F1024-T1064 WeakPolarHBondContact CE2-OG1 3.27Å; F1024-L1090 HydrophobicContact CE1-CD1 3.98Å; F1024-L1090 HydrophobicContact CE2-CD1 4.48Å; F1024-L1090 HydrophobicContact CZ-CD1 3.81Å; F1024-A1093 HydrophobicContact CB-CB 3.69Å; F1024-A1093 HydrophobicContact CD1-CB 4.35Å; F1024-A1093 HydrophobicContact CD2-CB 3.74Å; F1024-A1093 HydrophobicContact CE2-CB 4.46Å; F1024-A1093 HydrophobicContact CG-CB 3.67Å
1025	Q	98.1	Very high	95.3	Very high	1 Å²	1	7.2 Å²	7.2	1%	0.005	4%	0.038	C	C	.	.	H	α-helix	trans	-64.7	-39.6	175.4	-69.1	-179.7	-29.1	0	0	111.3	T912 M981 I1021 S1022 I1027 T1028 L1029 N1096	T912-Q1025 HydrophobicContact CG2-CB 4.25Å; M981-Q1025 HydrophobicContact CE-CB 4.39Å; M981-Q1025 PolarHBondContact O-NE2 3.1Å; M981-Q1025 HydrophobicContact SD-CB 3.59Å; M981-Q1025 VanDerWaalsContact SD-CB 3.59Å; M981-Q1025 HydrophobicContact SD-CG 3.43Å; M981-Q1025 WeakPolarHBondContact SD-CG 3.21Å; I1021-Q1025 WeakPolarHBondContact O-CG 3.37Å; I1021-Q1025 PolarHBondContact O-N 2.91Å; S1022-Q1025 WeakPolarHBondContact O-CA 3.39Å; S1022-Q1025 VanDerWaalsContact O-CB 3.3Å; S1022-Q1025 WeakPolarHBondContact O-CB 3.44Å; S1022-Q1025 PolarHBondContact O-N 3.33Å; Q1025-I1027 VanDerWaalsContact C-N 3.33Å; Q1025-I1027 PolarHBondContact O-N 3.39Å; Q1025-T1028 WeakPolarHBondContact O-CB 3.27Å; Q1025-T1028 PolarHBondContact O-N 3.17Å; Q1025-T1028 VanDerWaalsContact O-N 3.16Å; Q1025-L1029 WeakPolarHBondContact O-CG 3.24Å; Q1025-L1029 PolarHBondContact O-N 3.37Å; Q1025-N1096 WeakPolarHBondContact CG-ND2 3.29Å; Q1025-N1096 PolarHBondContact NE2-ND2 2.66Å; Q1025-N1096 VanDerWaalsContact NE2-ND2 3.18Å
1026	Y	97.1	Very high	94.7	Very high	0 Å²	0	7.8 Å²	7.8	0%	0	4%	0.041	C	C	.	.	H	α-helix	trans	-62.2	-39.3	174.7	-54.7	-48.2	0	0	0	112.5	Y905 T912 I935 I940 S1022 F1024 V1030	Y905-Y1026 WeakPolarHBondContact CE2-O 3.18Å; T912-Y1026 HydrophobicContact CG2-CD1 4.48Å; T912-Y1026 HydrophobicContact CG2-CE1 3.91Å; I935-Y1026 HydrophobicContact CB-CE2 4.23Å; I935-Y1026 HydrophobicContact CD1-CE2 3.6Å; I935-Y1026 HydrophobicContact CG1-CD2 4.14Å; I935-Y1026 HydrophobicContact CG1-CE2 3.63Å; I935-Y1026 HydrophobicContact CG2-CD2 3.78Å; I935-Y1026 HydrophobicContact CG2-CE1 4.45Å; I935-Y1026 HydrophobicContact CG2-CE2 3.52Å; I935-Y1026 HydrophobicContact CG2-CG 4.42Å; I940-Y1026 HydrophobicContact CD1-CD1 4.34Å; I940-Y1026 HydrophobicContact CD1-CG 4.13Å; S1022-Y1026 WeakPolarHBondContact O-CD2 3.45Å; S1022-Y1026 WeakPolarHBondContact O-CE2 3.19Å; S1022-Y1026 PolarHBondContact O-N 2.61Å; F1024-Y1026 VanDerWaalsContact C-N 3.35Å; Y1026-V1030 PolarHBondContact O-N 2.9Å
1027	I	96.9	Very high	94.1	Very high	9 Å²	9	15.6 Å²	15.6	5%	0.046	8%	0.077	C	C	.	.	H	α-helix	trans	-66.8	-41.3	173.1	-61.4	175.8	0	0	0	110.7	F943 F1024 Q1025 L1029 V1030 V1031 I1053 C1060	F943-I1027 HydrophobicContact CE2-CG1 3.91Å; F943-I1027 HydrophobicContact CZ-CD1 4.46Å; F943-I1027 HydrophobicContact CZ-CG1 3.85Å; F1024-I1027 PolarHBondContact O-N 3.13Å; Q1025-I1027 VanDerWaalsContact C-N 3.33Å; Q1025-I1027 PolarHBondContact O-N 3.39Å; I1027-L1029 PolarHBondContact O-N 2.97Å; I1027-V1030 VanDerWaalsContact O-CG1 3.29Å; I1027-V1030 WeakPolarHBondContact O-CG1 3.44Å; I1027-V1030 PolarHBondContact O-N 3.07Å; I1027-V1031 WeakPolarHBondContact O-CG2 3.44Å; I1027-V1031 PolarHBondContact O-N 2.71Å; I1027-V1031 VanDerWaalsContact O-N 3.16Å; I1027-I1053 HydrophobicContact CG2-CG2 4.09Å; I1027-C1060 HydrophobicContact CD1-CB 4.33Å
1028	T	97.4	Very high	93.7	Very high	6 Å²	6	17.7 Å²	17.7	4%	0.037	9%	0.091	C	C	.	.	H	α-helix	trans	-59.3	-47.3	176.8	-61.7	0	0	0	0	111	M981 F1024 Q1025 V1030 V1031 V1032 F1097 C1100	M981-T1028 HydrophobicContact CE-CG2 4.19Å; F1024-T1028 WeakPolarHBondContact O-CB 3.39Å; F1024-T1028 PolarHBondContact O-N 3.24Å; F1024-T1028 PolarHBondContact O-OG1 3.49Å; Q1025-T1028 WeakPolarHBondContact O-CB 3.27Å; Q1025-T1028 PolarHBondContact O-N 3.17Å; Q1025-T1028 VanDerWaalsContact O-N 3.16Å; T1028-V1030 PolarHBondContact O-N 2.79Å; T1028-V1031 PolarHBondContact O-N 3.06Å; T1028-V1032 HydrophobicContact CG2-CG2 4.14Å; T1028-V1032 WeakPolarHBondContact O-CB 3.4Å; T1028-V1032 WeakPolarHBondContact O-CG2 3.49Å; T1028-V1032 PolarHBondContact O-N 3.15Å; T1028-F1097 HydrophobicContact CG2-CB 4.36Å; T1028-F1097 HydrophobicContact CG2-CD2 3.98Å; T1028-C1100 HydrophobicContact CG2-CB 3.59Å
1029	L	96.8	Very high	93.5	Very high	1 Å²	1	18.7 Å²	18.7	1%	0.005	10%	0.096	C	C	.	.	H	α-helix	trans	-61.1	-42.9	179.4	-70.5	170.9	0	0	0	112.5	Y905 Q977 M981 Q1025 I1027 V1031 V1032 Y1033	Y905-L1029 HydrophobicContact CD2-CB 3.98Å; Y905-L1029 HydrophobicContact CE2-CB 4.16Å; Q977-L1029 HydrophobicContact CB-CD2 4.22Å; M981-L1029 HydrophobicContact CE-CD1 4.45Å; M981-L1029 HydrophobicContact CE-CD2 3.53Å; M981-L1029 HydrophobicContact CE-CG 3.71Å; Q1025-L1029 WeakPolarHBondContact O-CG 3.24Å; Q1025-L1029 PolarHBondContact O-N 3.37Å; I1027-L1029 PolarHBondContact O-N 2.97Å; L1029-V1031 VanDerWaalsContact C-N 3.31Å; L1029-V1031 PolarHBondContact O-N 3.16Å; L1029-V1032 PolarHBondContact O-N 2.84Å; L1029-Y1033 HydrophobicContact CB-CD2 4.42Å; L1029-Y1033 HydrophobicContact CB-CE2 4.43Å; L1029-Y1033 HydrophobicContact CD2-CE2 3.84Å; L1029-Y1033 WeakPolarHBondContact O-CB 3.26Å; L1029-Y1033 VanDerWaalsContact O-CD2 3.24Å; L1029-Y1033 WeakPolarHBondContact O-CD2 3.43Å; L1029-Y1033 PolarHBondContact O-N 3.33Å
1030	V	95.5	Very high	93.3	Very high	0 Å²	0	19 Å²	19	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-64.5	-40.3	-180	80.8	0	0	0	0	111	Y905 F943 F947 Y1026 I1027 T1028 S1034 F1049 I1053	Y905-V1030 HydrophobicContact CD1-CG2 4.31Å; Y905-V1030 HydrophobicContact CD2-CB 3.82Å; Y905-V1030 HydrophobicContact CD2-CG2 4.12Å; Y905-V1030 HydrophobicContact CE1-CB 4.49Å; Y905-V1030 HydrophobicContact CE1-CG2 4.16Å; Y905-V1030 HydrophobicContact CE2-CB 3.49Å; Y905-V1030 VanDerWaalsContact CE2-CB 3.49Å; Y905-V1030 HydrophobicContact CE2-CG2 4Å; Y905-V1030 HydrophobicContact CG-CB 4.46Å; Y905-V1030 HydrophobicContact CG-CG2 4.26Å; F943-V1030 HydrophobicContact CB-CG2 4.07Å; F943-V1030 HydrophobicContact CD2-CG1 4.37Å; F943-V1030 HydrophobicContact CG-CG1 4.28Å; F947-V1030 HydrophobicContact CD2-CG2 3.7Å; F947-V1030 HydrophobicContact CE2-CG2 4.13Å; Y1026-V1030 PolarHBondContact O-N 2.9Å; I1027-V1030 VanDerWaalsContact O-CG1 3.29Å; I1027-V1030 WeakPolarHBondContact O-CG1 3.44Å; I1027-V1030 PolarHBondContact O-N 3.07Å; T1028-V1030 PolarHBondContact O-N 2.79Å; V1030-S1034 WeakPolarHBondContact O-CB 3.2Å; V1030-S1034 PolarHBondContact O-N 2.73Å; V1030-S1034 PolarHBondContact O-OG 3.32Å; V1030-F1049 HydrophobicContact CG2-CE2 3.85Å; V1030-F1049 HydrophobicContact CG2-CZ 3.76Å; V1030-I1053 HydrophobicContact CG1-CD1 4.22Å; V1030-I1053 HydrophobicContact CG1-CG1 4.18Å
1031	V	94.9	Very high	93.1	Very high	27 Å²	27	21.1 Å²	21.1	16%	0.164	11%	0.106	C	C	.	.	H	α-helix	trans	-65.7	-49.4	177.1	175.2	0	0	0	0	110.5	I1027 T1028 L1029 Y1033 S1034 M1043 I1053 F1097	I1027-V1031 WeakPolarHBondContact O-CG2 3.44Å; I1027-V1031 PolarHBondContact O-N 2.71Å; I1027-V1031 VanDerWaalsContact O-N 3.16Å; T1028-V1031 PolarHBondContact O-N 3.06Å; L1029-V1031 VanDerWaalsContact C-N 3.31Å; L1029-V1031 PolarHBondContact O-N 3.16Å; V1031-Y1033 VanDerWaalsContact C-N 3.31Å; V1031-Y1033 PolarHBondContact O-N 3.16Å; V1031-S1034 PolarHBondContact O-N 3.44Å; V1031-S1034 VanDerWaalsContact O-N 3.14Å; V1031-S1034 PolarHBondContact O-OG 3.28Å; V1031-M1043 HydrophobicContact CG1-CE 4.3Å; V1031-M1043 HydrophobicContact CG2-CE 4.27Å; V1031-I1053 HydrophobicContact CG2-CD1 4.11Å; V1031-I1053 HydrophobicContact CG2-CG2 4.26Å; V1031-F1097 HydrophobicContact CB-CE2 4.06Å; V1031-F1097 HydrophobicContact CG1-CE2 3.84Å; V1031-F1097 HydrophobicContact CG1-CZ 4.1Å; V1031-F1097 HydrophobicContact CG2-CE2 4.35Å
1032	V	94.7	Very high	92.7	Very high	7 Å²	7	25.3 Å²	25.3	4%	0.042	13%	0.132	C	C	.	.	H	α-helix	trans	-58.1	-41	-179.4	169	0	0	0	0	111.8	T1028 L1029 C1100 I1101 E1104	T1028-V1032 HydrophobicContact CG2-CG2 4.14Å; T1028-V1032 WeakPolarHBondContact O-CB 3.4Å; T1028-V1032 WeakPolarHBondContact O-CG2 3.49Å; T1028-V1032 PolarHBondContact O-N 3.15Å; L1029-V1032 PolarHBondContact O-N 2.84Å; V1032-C1100 HydrophobicContact CG2-CB 3.91Å; V1032-I1101 HydrophobicContact CG2-CG1 3.99Å; V1032-E1104 HydrophobicContact CG1-CB 3.64Å; V1032-E1104 HydrophobicContact CG1-CG 3.64Å
1033	Y	93.7	Very high	92.1	Very high	9 Å²	9	26.8 Å²	26.8	4%	0.035	14%	0.139	C	C	.	.	H	α-helix	trans	-87.9	-6.7	180	-62.5	-44.6	0	0	0	114.7	K904 F947 S973 L974 Q977 L1029 V1031 K1035	K904-Y1033 HydrophobicContact CB-CD1 3.87Å; K904-Y1033 HydrophobicContact CB-CD2 3.94Å; K904-Y1033 HydrophobicContact CB-CE1 4.02Å; K904-Y1033 HydrophobicContact CB-CE2 4.03Å; K904-Y1033 HydrophobicContact CB-CG 3.84Å; K904-Y1033 HydrophobicContact CD-CD1 3.73Å; K904-Y1033 HydrophobicContact CD-CE1 3.82Å; K904-Y1033 HydrophobicContact CD-CG 4.46Å; K904-Y1033 WeakPolarHBondContact O-CE2 3.45Å; F947-Y1033 WeakPolarHBondContact CZ-O 3.39Å; S973-Y1033 WeakPolarHBondContact OG-CE1 3.48Å; L974-Y1033 HydrophobicContact CD2-CE2 4.39Å; L974-Y1033 WeakPolarHBondContact CD2-OH 3.24Å; Q977-Y1033 HydrophobicContact CG-CE1 4.39Å; Q977-Y1033 VanDerWaalsContact CG-OH 3.32Å; Q977-Y1033 WeakPolarHBondContact CG-OH 3.4Å; L1029-Y1033 HydrophobicContact CB-CD2 4.42Å; L1029-Y1033 HydrophobicContact CB-CE2 4.43Å; L1029-Y1033 HydrophobicContact CD2-CE2 3.84Å; L1029-Y1033 WeakPolarHBondContact O-CB 3.26Å; L1029-Y1033 VanDerWaalsContact O-CD2 3.24Å; L1029-Y1033 WeakPolarHBondContact O-CD2 3.43Å; L1029-Y1033 PolarHBondContact O-N 3.33Å; V1031-Y1033 VanDerWaalsContact C-N 3.31Å; V1031-Y1033 PolarHBondContact O-N 3.16Å; Y1033-K1035 PolarHBondContact O-N 3.3Å
1034	S	91.5	Very high	91.5	Very high	11 Å²	11	32 Å²	32	8%	0.077	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.4	11.1	176.3	71.8	0	0	0	0	115.2	V1030 V1031 S1036 R1040	V1030-S1034 WeakPolarHBondContact O-CB 3.2Å; V1030-S1034 PolarHBondContact O-N 2.73Å; V1030-S1034 PolarHBondContact O-OG 3.32Å; V1031-S1034 PolarHBondContact O-N 3.44Å; V1031-S1034 VanDerWaalsContact O-N 3.14Å; V1031-S1034 PolarHBondContact O-OG 3.28Å; S1034-S1036 PolarHBondContact O-N 3.48Å; S1034-R1040 VanDerWaalsContact C-NH2 3.35Å; S1034-R1040 PolarHBondContact O-NH2 3.48Å
1035	K	82.7	Confident	91.1	Very high	58 Å²	58	35.9 Å²	35.9	25%	0.252	18%	0.183	S	C	.	.			trans	-42.9	126.9	-178.8	-74.7	-174.3	177.1	-172.1	0	113.6	Y1033 R1040 E1104 N1105 D1109	Y1033-K1035 PolarHBondContact O-N 3.3Å; K1035-R1040 PolarHBondContact O-NE 2.9Å; K1035-R1040 PolarHBondContact O-NH2 3.39Å; K1035-E1104 VanDerWaalsContact CE-CG 3.43Å; K1035-E1104 VanDerWaalsContact NZ-CG 3.33Å; K1035-E1104 PolarHBondContact NZ-O 2.99Å; K1035-N1105 WeakPolarHBondContact CE-OD1 3.25Å; K1035-N1105 PolarHBondContact NZ-OD1 3.27Å; K1035-D1109 IonicContact NZ-OD1 2.7Å; K1035-D1109 PolarHBondContact NZ-OD1 2.94Å; K1035-D1109 IonicContact NZ-OD2 2.88Å; K1035-D1109 PolarHBondContact NZ-OD2 3.34Å
1036	S	80	Confident	90.8	Very high	19 Å²	19	36.6 Å²	36.6	13%	0.133	19%	0.187	C	C	.	.			trans	-96.1	-64.8	-168.6	-66.9	0	0	0	0	114	S1034 H1039 R1040 K1041 T1042 M1043	S1034-S1036 PolarHBondContact O-N 3.48Å; S1036-H1039 PolarHBondContact O-N 2.86Å; S1036-R1040 CarbonylContact C-O 3.43Å; S1036-R1040 VanDerWaalsContact C-O 3.22Å; S1036-R1040 WeakPolarHBondContact O-CA 3.5Å; S1036-R1040 WeakPolarHBondContact O-CB 3.46Å; S1036-R1040 PolarHBondContact O-N 2.73Å; S1036-R1040 VanDerWaalsContact O-O 3.1Å; S1036-K1041 WeakPolarHBondContact CB-O 3.15Å; S1036-K1041 PolarHBondContact OG-O 2.91Å; S1036-T1042 VanDerWaalsContact OG-CA 3.23Å; S1036-T1042 WeakPolarHBondContact OG-CA 3.31Å; S1036-M1043 PolarHBondContact OG-N 3.44Å
1037	H	83.2	Confident	90.6	Very high	165 Å²	165	44.7 Å²	44.7	76%	0.764	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.6	143.3	-172.3	-165.2	-91.5	0	0	0	111.3
1038	P	87.5	Confident	90.4	Very high	45 Å²	45	48.7 Å²	48.7	29%	0.292	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	cis	-95.8	0.4	6.9	38	-36.4	0	0	0	115.6	S953 A957	S953-P1038 WeakPolarHBondContact CB-O 3.39Å; S953-P1038 PolarHBondContact OG-O 2.89Å; A957-P1038 HydrophobicContact CB-CB 3.78Å; A957-P1038 HydrophobicContact CB-CG 3.95Å
1039	H	91.5	Very high	90.2	Very high	20 Å²	20	48.4 Å²	48.4	9%	0.093	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.8	-24.8	-169.9	-59.8	-52.1	0	0	0	114.7	R893 T897 S953 K959 P961 S1036	R893-H1039 HydrophobicContact CB-CB 4.37Å; T897-H1039 WeakPolarHBondContact OG1-CB 3.43Å; T897-H1039 PolarHBondContact OG1-CD2 2.97Å; S953-H1039 PolarHBondContact N-O 2.84Å; K959-H1039 PolarHBondContact O-CE1 3.1Å; P961-H1039 WeakPolarHBondContact CD-NE2 3.43Å; S1036-H1039 PolarHBondContact O-N 2.86Å
1040	R	92.3	Very high	90.2	Very high	6 Å²	6	51.8 Å²	51.8	2%	0.023	26%	0.256	C	S	.	.	B	Isolated β-bridge	trans	-123.1	154.2	-178.4	-56.4	-173.5	-66.9	171.8	-1	110.3	A894 T897 T898 T950 E951 S1034 K1035 S1036	A894-R1040 HydrophobicContact CB-CG 4.01Å; T897-R1040 HydrophobicContact CG2-CG 4.39Å; T898-R1040 WeakPolarHBondContact OG1-CD 3.47Å; T898-R1040 PolarHBondContact OG1-NH1 2.81Å; T950-R1040 HydrophobicContact CG2-CB 4.17Å; E951-R1040 CarbonylContact O-C 3.57Å; E951-R1040 WeakPolarHBondContact O-CA 3.41Å; S1034-R1040 VanDerWaalsContact C-NH2 3.35Å; S1034-R1040 PolarHBondContact O-NH2 3.48Å; K1035-R1040 PolarHBondContact O-NE 2.9Å; K1035-R1040 PolarHBondContact O-NH2 3.39Å; S1036-R1040 CarbonylContact C-O 3.43Å; S1036-R1040 VanDerWaalsContact C-O 3.22Å; S1036-R1040 WeakPolarHBondContact O-CA 3.5Å; S1036-R1040 WeakPolarHBondContact O-CB 3.46Å; S1036-R1040 PolarHBondContact O-N 2.73Å; S1036-R1040 VanDerWaalsContact O-O 3.1Å
1041	K	91.5	Very high	90.1	Very high	45 Å²	45	54 Å²	54	20%	0.196	27%	0.274	C	S	.	.			trans	-65.9	162.9	165.3	-67.4	-173.2	-176.4	169.4	0	110.6	T950 E951 E954 S1036 H1045	T950-K1041 VanDerWaalsContact CG2-O 3.23Å; T950-K1041 WeakPolarHBondContact CG2-O 3.24Å; E951-K1041 HydrophobicContact CB-CD 4.09Å; E951-K1041 HydrophobicContact CB-CG 4.45Å; E951-K1041 PolarHBondContact O-N 3.22Å; E951-K1041 IonicContact OE2-NZ 3.85Å; E951-K1041 PolarHBondContact OE2-NZ 3.01Å; E954-K1041 IonicContact OE1-NZ 2.88Å; S1036-K1041 WeakPolarHBondContact CB-O 3.15Å; S1036-K1041 PolarHBondContact OG-O 2.91Å; K1041-H1045 HydrophobicContact CB-CB 4.09Å; K1041-H1045 WeakPolarHBondContact CD-CD2 3.24Å; K1041-H1045 WeakPolarHBondContact CD-NE2 3.39Å; K1041-H1045 PolarHBondContact NZ-NE2 3.37Å; K1041-H1045 VanDerWaalsContact NZ-NE2 3.16Å
1042	T	88.7	Confident	90.2	Very high	88 Å²	88	53 Å²	53	54%	0.54	27%	0.268	S	S	.	.			trans	-59.8	151.2	179.9	59.7	0	0	0	0	111.8	S1036 M1044 H1045	S1036-T1042 VanDerWaalsContact OG-CA 3.23Å; S1036-T1042 WeakPolarHBondContact OG-CA 3.31Å; T1042-M1044 PolarHBondContact O-N 2.8Å; T1042-M1044 VanDerWaalsContact O-N 3.17Å; T1042-H1045 VanDerWaalsContact O-CB 3.3Å; T1042-H1045 WeakPolarHBondContact O-CB 3.37Å; T1042-H1045 PolarHBondContact O-N 2.74Å
1043	M	85.9	Confident	90.2	Very high	31 Å²	31	53.2 Å²	53.2	15%	0.153	27%	0.269	C	S	.	.	G	3₁₀ helix	trans	-52.6	-34.3	173.1	172.7	168	82.2	0	0	112.7	V1031 S1036 H1045 N1046 F1049 F1050 I1053	V1031-M1043 HydrophobicContact CG1-CE 4.3Å; V1031-M1043 HydrophobicContact CG2-CE 4.27Å; S1036-M1043 PolarHBondContact OG-N 3.44Å; M1043-H1045 PolarHBondContact O-N 3.39Å; M1043-N1046 PolarHBondContact O-N 2.83Å; M1043-N1046 VanDerWaalsContact O-N 3.11Å; M1043-F1049 HydrophobicContact CB-CD1 4.43Å; M1043-F1049 HydrophobicContact CB-CE1 4.36Å; M1043-F1049 HydrophobicContact CG-CD1 3.53Å; M1043-F1049 HydrophobicContact CG-CE1 3.54Å; M1043-F1049 HydrophobicContact SD-CD1 3.96Å; M1043-F1049 HydrophobicContact SD-CE1 3.39Å; M1043-F1049 WeakPolarHBondContact SD-CE1 3.37Å; M1043-F1049 HydrophobicContact SD-CZ 4.04Å; M1043-F1050 HydrophobicContact CE-CD2 4.35Å; M1043-I1053 HydrophobicContact CE-CD1 3.95Å; M1043-I1053 HydrophobicContact CG-CD1 4.39Å; M1043-I1053 HydrophobicContact SD-CD1 3.25Å; M1043-I1053 WeakPolarHBondContact SD-CD1 3.42Å
1044	M	84.6	Confident	90.3	Very high	111 Å²	111	55.5 Å²	55.5	55%	0.547	28%	0.284	S	S	.	.	G	3₁₀ helix	trans	-62.8	-28.2	177.6	-58.4	-58.8	-66.8	0	0	113.4	T1042 N1046 F1050	T1042-M1044 PolarHBondContact O-N 2.8Å; T1042-M1044 VanDerWaalsContact O-N 3.17Å; M1044-N1046 VanDerWaalsContact C-N 3.28Å; M1044-F1050 HydrophobicContact CE-CD1 3.96Å; M1044-F1050 HydrophobicContact CE-CD2 4.03Å; M1044-F1050 HydrophobicContact CE-CE1 3.61Å; M1044-F1050 HydrophobicContact CE-CE2 3.7Å; M1044-F1050 HydrophobicContact CE-CG 4.15Å; M1044-F1050 HydrophobicContact CE-CZ 3.48Å; M1044-F1050 VanDerWaalsContact CE-CZ 3.48Å; M1044-F1050 HydrophobicContact SD-CD1 4.27Å; M1044-F1050 HydrophobicContact SD-CD2 3.3Å; M1044-F1050 WeakPolarHBondContact SD-CD2 3.33Å; M1044-F1050 HydrophobicContact SD-CE1 4.21Å; M1044-F1050 HydrophobicContact SD-CE2 3.23Å; M1044-F1050 WeakPolarHBondContact SD-CE2 3.42Å; M1044-F1050 HydrophobicContact SD-CG 3.84Å; M1044-F1050 HydrophobicContact SD-CZ 3.72Å
1045	H	87.9	Confident	90.5	Very high	95 Å²	95	59.2 Å²	59.2	44%	0.44	31%	0.306	S	S	.	.	G	3₁₀ helix	trans	-69.1	-31.7	177	-160.7	76.1	0	0	0	111.3	E951 K1041 T1042 M1043 K1047	E951-H1045 IonicContact OE2-CD2 3.73Å; E951-H1045 IonicContact OE2-NE2 3.06Å; E951-H1045 PolarHBondContact OE2-NE2 2.8Å; K1041-H1045 HydrophobicContact CB-CB 4.09Å; K1041-H1045 WeakPolarHBondContact CD-CD2 3.24Å; K1041-H1045 WeakPolarHBondContact CD-NE2 3.39Å; K1041-H1045 PolarHBondContact NZ-NE2 3.37Å; K1041-H1045 VanDerWaalsContact NZ-NE2 3.16Å; T1042-H1045 VanDerWaalsContact O-CB 3.3Å; T1042-H1045 WeakPolarHBondContact O-CB 3.37Å; T1042-H1045 PolarHBondContact O-N 2.74Å; M1043-H1045 PolarHBondContact O-N 3.39Å; H1045-K1047 PolarHBondContact O-N 3.4Å; H1045-K1047 VanDerWaalsContact O-N 3.08Å
1046	N	91.7	Very high	91.2	Very high	15 Å²	15	56.6 Å²	56.6	8%	0.08	30%	0.295	C	S	.	.			trans	-82.9	82.1	173.2	-174	-10.3	0	0	0	109.8	F946 T950 M1043 M1044 L1048 F1049 F1050	F946-N1046 PolarHBondContact O-ND2 3.12Å; T950-N1046 PolarHBondContact N-ND2 2.91Å; T950-N1046 PolarHBondContact OG1-ND2 3.04Å; T950-N1046 VanDerWaalsContact OG1-ND2 3.15Å; M1043-N1046 PolarHBondContact O-N 2.83Å; M1043-N1046 VanDerWaalsContact O-N 3.11Å; M1044-N1046 VanDerWaalsContact C-N 3.28Å; N1046-L1048 PolarHBondContact O-N 2.75Å; N1046-F1049 HydrophobicContact CB-CB 3.98Å; N1046-F1049 VanDerWaalsContact ND2-CB 3.29Å; N1046-F1049 WeakPolarHBondContact ND2-CB 3.33Å; N1046-F1049 PolarHBondContact O-N 3.38Å; N1046-F1049 PolarHBondContact OD1-N 2.97Å; N1046-F1050 PolarHBondContact O-N 2.84Å
1047	K	92.8	Very high	92	Very high	171 Å²	171	58 Å²	58	74%	0.743	30%	0.303	S	S	*	.	H	α-helix	trans	-52.9	-39.4	-176	-63.8	-175.8	-179.2	-178.8	0	113.2	H1045 A1051	H1045-K1047 PolarHBondContact O-N 3.4Å; H1045-K1047 VanDerWaalsContact O-N 3.08Å; K1047-A1051 WeakPolarHBondContact O-CB 3.38Å; K1047-A1051 PolarHBondContact O-N 3.34Å
1048	L	93.3	Very high	92.6	Very high	92 Å²	92	55 Å²	55	48%	0.482	29%	0.292	S	S	.	.	H	α-helix	trans	-67.4	-43.8	179.2	-67.5	176	0	0	0	111.8	F946 N1046 A1051 S1052	F946-L1048 HydrophobicContact CD1-CB 3.94Å; F946-L1048 HydrophobicContact CD1-CD1 4.34Å; F946-L1048 HydrophobicContact CE1-CB 4.25Å; F946-L1048 HydrophobicContact CE1-CD1 4.22Å; F946-L1048 HydrophobicContact CG-CB 4.25Å; N1046-L1048 PolarHBondContact O-N 2.75Å; L1048-A1051 PolarHBondContact O-N 2.8Å; L1048-S1052 WeakPolarHBondContact O-CB 3.49Å; L1048-S1052 PolarHBondContact O-N 3.01Å
1049	F	94.6	Very high	93	Very high	1 Å²	1	56.2 Å²	56.2	0%	0.004	30%	0.295	C	S	.	.	H	α-helix	trans	-67.3	-44.7	178.3	-179.1	-132.4	0	0	0	111.6	F946 F947 V1030 M1043 N1046 S1052 I1053	F946-F1049 HydrophobicContact CB-CB 3.81Å; F946-F1049 HydrophobicContact CB-CD2 4.02Å; F946-F1049 HydrophobicContact CB-CG 4.35Å; F947-F1049 HydrophobicContact CB-CD2 4.46Å; F947-F1049 HydrophobicContact CB-CE2 4.08Å; F947-F1049 HydrophobicContact CB-CZ 4.35Å; F947-F1049 HydrophobicContact CD2-CE1 4.22Å; F947-F1049 HydrophobicContact CD2-CE2 4.04Å; F947-F1049 AromaticContact CD2-CZ 3.58Å; F947-F1049 HydrophobicContact CD2-CZ 3.58Å; F947-F1049 HydrophobicContact CE2-CZ 4.33Å; F947-F1049 HydrophobicContact CG-CZ 4.31Å; V1030-F1049 HydrophobicContact CG2-CE2 3.85Å; V1030-F1049 HydrophobicContact CG2-CZ 3.76Å; M1043-F1049 HydrophobicContact CB-CD1 4.43Å; M1043-F1049 HydrophobicContact CB-CE1 4.36Å; M1043-F1049 HydrophobicContact CG-CD1 3.53Å; M1043-F1049 HydrophobicContact CG-CE1 3.54Å; M1043-F1049 HydrophobicContact SD-CD1 3.96Å; M1043-F1049 HydrophobicContact SD-CE1 3.39Å; M1043-F1049 WeakPolarHBondContact SD-CE1 3.37Å; M1043-F1049 HydrophobicContact SD-CZ 4.04Å; N1046-F1049 HydrophobicContact CB-CB 3.98Å; N1046-F1049 VanDerWaalsContact ND2-CB 3.29Å; N1046-F1049 WeakPolarHBondContact ND2-CB 3.33Å; N1046-F1049 PolarHBondContact O-N 3.38Å; N1046-F1049 PolarHBondContact OD1-N 2.97Å; F1049-S1052 PolarHBondContact O-N 3.46Å; F1049-S1052 PolarHBondContact O-OG 2.96Å; F1049-I1053 HydrophobicContact CD1-CD1 4.42Å; F1049-I1053 HydrophobicContact CD2-CD1 4.26Å; F1049-I1053 HydrophobicContact CE1-CD1 3.97Å; F1049-I1053 HydrophobicContact CE2-CD1 3.82Å; F1049-I1053 HydrophobicContact CE2-CG1 4.27Å; F1049-I1053 HydrophobicContact CZ-CD1 3.64Å; F1049-I1053 PolarHBondContact O-N 3.49Å; F1049-I1053 VanDerWaalsContact O-N 3.09Å
1050	F	95	Very high	93.3	Very high	71 Å²	71	55.3 Å²	55.3	31%	0.311	29%	0.291	S	S	.	.	H	α-helix	trans	-61.6	-46	175	-176.3	-107.9	0	0	0	112.1	M1043 M1044 N1046 S1052 I1053 V1054	M1043-F1050 HydrophobicContact CE-CD2 4.35Å; M1044-F1050 HydrophobicContact CE-CD1 3.96Å; M1044-F1050 HydrophobicContact CE-CD2 4.03Å; M1044-F1050 HydrophobicContact CE-CE1 3.61Å; M1044-F1050 HydrophobicContact CE-CE2 3.7Å; M1044-F1050 HydrophobicContact CE-CG 4.15Å; M1044-F1050 HydrophobicContact CE-CZ 3.48Å; M1044-F1050 VanDerWaalsContact CE-CZ 3.48Å; M1044-F1050 HydrophobicContact SD-CD1 4.27Å; M1044-F1050 HydrophobicContact SD-CD2 3.3Å; M1044-F1050 WeakPolarHBondContact SD-CD2 3.33Å; M1044-F1050 HydrophobicContact SD-CE1 4.21Å; M1044-F1050 HydrophobicContact SD-CE2 3.23Å; M1044-F1050 WeakPolarHBondContact SD-CE2 3.42Å; M1044-F1050 HydrophobicContact SD-CG 3.84Å; M1044-F1050 HydrophobicContact SD-CZ 3.72Å; N1046-F1050 PolarHBondContact O-N 2.84Å; F1050-S1052 VanDerWaalsContact C-N 3.29Å; F1050-S1052 PolarHBondContact O-N 2.95Å; F1050-I1053 PolarHBondContact O-N 2.86Å; F1050-I1053 VanDerWaalsContact O-N 3.17Å; F1050-V1054 HydrophobicContact CD1-CG2 4.23Å; F1050-V1054 HydrophobicContact CE1-CG2 3.77Å; F1050-V1054 HydrophobicContact CE2-CG2 4.23Å; F1050-V1054 HydrophobicContact CZ-CG2 3.77Å; F1050-V1054 WeakPolarHBondContact O-CG2 3.04Å; F1050-V1054 PolarHBondContact O-N 2.62Å
1051	A	95.3	Very high	93.5	Very high	47 Å²	47	57.3 Å²	57.3	39%	0.388	30%	0.304	S	S	.	.	H	α-helix	trans	-58.8	-40.7	175	0	0	0	0	0	111.9	K1047 L1048 I1053 V1054 V1055	K1047-A1051 WeakPolarHBondContact O-CB 3.38Å; K1047-A1051 PolarHBondContact O-N 3.34Å; L1048-A1051 PolarHBondContact O-N 2.8Å; A1051-I1053 VanDerWaalsContact C-N 3.32Å; A1051-I1053 PolarHBondContact O-N 3Å; A1051-V1054 PolarHBondContact O-N 3.03Å; A1051-V1055 WeakPolarHBondContact O-CB 3.12Å; A1051-V1055 VanDerWaalsContact O-CG2 3.31Å; A1051-V1055 WeakPolarHBondContact O-CG2 3.49Å; A1051-V1055 PolarHBondContact O-N 3.34Å
1052	S	95.1	Very high	93.7	Very high	5 Å²	5	58.3 Å²	58.3	4%	0.035	31%	0.314	C	S	.	.	H	α-helix	trans	-61.7	-39.3	177.3	78.1	0	0	0	0	112.4	M942 F943 L1048 F1049 F1050 G1056	M942-S1052 WeakPolarHBondContact CE-O 3.25Å; F943-S1052 WeakPolarHBondContact CE1-O 3.47Å; L1048-S1052 WeakPolarHBondContact O-CB 3.49Å; L1048-S1052 PolarHBondContact O-N 3.01Å; F1049-S1052 PolarHBondContact O-N 3.46Å; F1049-S1052 PolarHBondContact O-OG 2.96Å; F1050-S1052 VanDerWaalsContact C-N 3.29Å; F1050-S1052 PolarHBondContact O-N 2.95Å; S1052-G1056 PolarHBondContact O-N 3.3Å
1053	I	95.7	Very high	94.1	Very high	12 Å²	12	54.6 Å²	54.6	6%	0.062	29%	0.29	C	S	.	.	H	α-helix	trans	-67.1	-43.7	175.8	-70	165.1	0	0	0	110.7	F943 I1027 V1030 V1031 M1043 F1049 F1050 A1051 G1056 T1057	F943-I1053 HydrophobicContact CD1-CG1 4.22Å; F943-I1053 HydrophobicContact CE1-CG1 4.03Å; I1027-I1053 HydrophobicContact CG2-CG2 4.09Å; V1030-I1053 HydrophobicContact CG1-CD1 4.22Å; V1030-I1053 HydrophobicContact CG1-CG1 4.18Å; V1031-I1053 HydrophobicContact CG2-CD1 4.11Å; V1031-I1053 HydrophobicContact CG2-CG2 4.26Å; M1043-I1053 HydrophobicContact CE-CD1 3.95Å; M1043-I1053 HydrophobicContact CG-CD1 4.39Å; M1043-I1053 HydrophobicContact SD-CD1 3.25Å; M1043-I1053 WeakPolarHBondContact SD-CD1 3.42Å; F1049-I1053 HydrophobicContact CD1-CD1 4.42Å; F1049-I1053 HydrophobicContact CD2-CD1 4.26Å; F1049-I1053 HydrophobicContact CE1-CD1 3.97Å; F1049-I1053 HydrophobicContact CE2-CD1 3.82Å; F1049-I1053 HydrophobicContact CE2-CG1 4.27Å; F1049-I1053 HydrophobicContact CZ-CD1 3.64Å; F1049-I1053 PolarHBondContact O-N 3.49Å; F1049-I1053 VanDerWaalsContact O-N 3.09Å; F1050-I1053 PolarHBondContact O-N 2.86Å; F1050-I1053 VanDerWaalsContact O-N 3.17Å; A1051-I1053 VanDerWaalsContact C-N 3.32Å; A1051-I1053 PolarHBondContact O-N 3Å; I1053-G1056 PolarHBondContact O-N 3.41Å; I1053-T1057 VanDerWaalsContact O-CB 3.3Å; I1053-T1057 WeakPolarHBondContact O-CB 3.27Å; I1053-T1057 PolarHBondContact O-N 2.86Å; I1053-T1057 PolarHBondContact O-OG1 3.11Å
1054	V	96	Very high	94.5	Very high	58 Å²	58	53.1 Å²	53.1	35%	0.352	28%	0.283	S	S	.	.	H	α-helix	trans	-62.1	-50	177.7	173.4	0	0	0	0	110.6	F1050 A1051 T1057 I1058	F1050-V1054 HydrophobicContact CD1-CG2 4.23Å; F1050-V1054 HydrophobicContact CE1-CG2 3.77Å; F1050-V1054 HydrophobicContact CE2-CG2 4.23Å; F1050-V1054 HydrophobicContact CZ-CG2 3.77Å; F1050-V1054 WeakPolarHBondContact O-CG2 3.04Å; F1050-V1054 PolarHBondContact O-N 2.62Å; A1051-V1054 PolarHBondContact O-N 3.03Å; V1054-T1057 PolarHBondContact O-N 2.89Å; V1054-I1058 HydrophobicContact CG1-CD1 3.85Å; V1054-I1058 VanDerWaalsContact O-CG1 3.3Å; V1054-I1058 WeakPolarHBondContact O-CG1 3.15Å; V1054-I1058 PolarHBondContact O-N 3.26Å
1055	V	96.1	Very high	95	Very high	89 Å²	89	48.8 Å²	48.8	54%	0.539	26%	0.263	S	S	.	.	H	α-helix	trans	-61.7	-45.6	177.8	172.2	0	0	0	0	111.1	A1051 T1057 I1058 L1059	A1051-V1055 WeakPolarHBondContact O-CB 3.12Å; A1051-V1055 VanDerWaalsContact O-CG2 3.31Å; A1051-V1055 WeakPolarHBondContact O-CG2 3.49Å; A1051-V1055 PolarHBondContact O-N 3.34Å; V1055-T1057 VanDerWaalsContact C-N 3.31Å; V1055-T1057 PolarHBondContact O-N 2.89Å; V1055-I1058 PolarHBondContact O-N 3.46Å; V1055-L1059 WeakPolarHBondContact O-CB 3.4Å; V1055-L1059 PolarHBondContact O-N 3.36Å
1056	G	96	Very high	95.3	Very high	2 Å²	2	47.2 Å²	47.2	2%	0.021	27%	0.267	C	S	.	.	H	α-helix	trans	-61.5	-38.5	176.5	0	0	0	0	0	112.7	S1052 I1053 L1059 C1060	S1052-G1056 PolarHBondContact O-N 3.3Å; I1053-G1056 PolarHBondContact O-N 3.41Å; G1056-L1059 PolarHBondContact O-N 3.32Å; G1056-C1060 PolarHBondContact O-N 2.95Å; G1056-C1060 PolarHBondContact O-SG 3.36Å
1057	T	96.9	Very high	95.4	Very high	49 Å²	49	47.3 Å²	47.3	30%	0.301	27%	0.268	S	S	.	.	H	α-helix	trans	-67.7	-46	176.4	-55.5	0	0	0	0	110.9	I1053 V1054 V1055 L1059 C1060 V1061	I1053-T1057 VanDerWaalsContact O-CB 3.3Å; I1053-T1057 WeakPolarHBondContact O-CB 3.27Å; I1053-T1057 PolarHBondContact O-N 2.86Å; I1053-T1057 PolarHBondContact O-OG1 3.11Å; V1054-T1057 PolarHBondContact O-N 2.89Å; V1055-T1057 VanDerWaalsContact C-N 3.31Å; V1055-T1057 PolarHBondContact O-N 2.89Å; T1057-L1059 VanDerWaalsContact C-N 3.31Å; T1057-L1059 PolarHBondContact O-N 3.1Å; T1057-C1060 PolarHBondContact O-N 3.45Å; T1057-V1061 HydrophobicContact CG2-CG2 4.41Å; T1057-V1061 VanDerWaalsContact O-CG2 3.28Å; T1057-V1061 WeakPolarHBondContact O-CG2 3.44Å; T1057-V1061 PolarHBondContact O-N 3.45Å
1058	I	97	Very high	95.5	Very high	102 Å²	102	41.6 Å²	41.6	52%	0.523	25%	0.248	S	C	.	.	H	α-helix	trans	-57.9	-46.2	175.7	-68.7	165.9	0	0	0	110.1	V1054 V1055 C1060 V1061 V1062	V1054-I1058 HydrophobicContact CG1-CD1 3.85Å; V1054-I1058 VanDerWaalsContact O-CG1 3.3Å; V1054-I1058 WeakPolarHBondContact O-CG1 3.15Å; V1054-I1058 PolarHBondContact O-N 3.26Å; V1055-I1058 PolarHBondContact O-N 3.46Å; I1058-C1060 PolarHBondContact O-N 3.35Å; I1058-V1061 PolarHBondContact O-N 3.38Å; I1058-V1062 HydrophobicContact CG2-CG2 4.44Å; I1058-V1062 WeakPolarHBondContact O-CG2 3.39Å; I1058-V1062 PolarHBondContact O-N 2.81Å
1059	L	96.1	Very high	95.5	Very high	71 Å²	71	44 Å²	44	37%	0.372	26%	0.262	S	S	.	.	H	α-helix	trans	-58.2	-46.8	176.8	179	62.9	0	0	0	111.9	L934 V1055 G1056 T1057 V1061 V1062 I1063	L934-L1059 HydrophobicContact CD1-CD2 4.27Å; V1055-L1059 WeakPolarHBondContact O-CB 3.4Å; V1055-L1059 PolarHBondContact O-N 3.36Å; G1056-L1059 PolarHBondContact O-N 3.32Å; T1057-L1059 VanDerWaalsContact C-N 3.31Å; T1057-L1059 PolarHBondContact O-N 3.1Å; L1059-V1061 VanDerWaalsContact C-N 3.35Å; L1059-V1061 PolarHBondContact O-N 3.19Å; L1059-V1062 PolarHBondContact O-N 3.35Å; L1059-I1063 HydrophobicContact CD1-CD1 3.99Å; L1059-I1063 HydrophobicContact CD1-CG1 4.38Å; L1059-I1063 HydrophobicContact CG-CD1 3.95Å; L1059-I1063 VanDerWaalsContact O-CG1 3.31Å; L1059-I1063 WeakPolarHBondContact O-CG1 3.5Å; L1059-I1063 PolarHBondContact O-N 3.26Å
1060	C	96.5	Very high	95.5	Very high	1 Å²	1	50.9 Å²	50.9	1%	0.007	29%	0.292	C	S	.	.	H	α-helix	trans	-65.4	-36.9	178.3	-65.3	0	0	0	0	112.6	I1023 F1024 I1027 G1056 T1057 I1058 T1064	I1023-C1060 HydrophobicContact CD1-CB 3.77Å; I1023-C1060 HydrophobicContact CG1-CB 4.06Å; F1024-C1060 HydrophobicContact CD1-CB 3.97Å; F1024-C1060 HydrophobicContact CE1-CB 3.53Å; F1024-C1060 HydrophobicContact CE2-CB 4.43Å; F1024-C1060 HydrophobicContact CZ-CB 3.79Å; F1024-C1060 WeakPolarHBondContact CZ-O 3.22Å; I1027-C1060 HydrophobicContact CD1-CB 4.33Å; G1056-C1060 PolarHBondContact O-N 2.95Å; G1056-C1060 PolarHBondContact O-SG 3.36Å; T1057-C1060 PolarHBondContact O-N 3.45Å; I1058-C1060 PolarHBondContact O-N 3.35Å; C1060-T1064 WeakPolarHBondContact O-CB 3.43Å; C1060-T1064 PolarHBondContact O-N 3.32Å; C1060-T1064 PolarHBondContact O-OG1 3.48Å
1061	V	97	Very high	95.4	Very high	47 Å²	47	47.9 Å²	47.9	29%	0.285	28%	0.28	S	S	.	.	H	α-helix	trans	-63.6	-46.4	173.7	171.6	0	0	0	0	110.5	F1024 T1057 I1058 L1059 T1064 V1065 L1090	F1024-V1061 HydrophobicContact CE1-CG2 3.94Å; F1024-V1061 HydrophobicContact CZ-CG2 4.18Å; T1057-V1061 HydrophobicContact CG2-CG2 4.41Å; T1057-V1061 VanDerWaalsContact O-CG2 3.28Å; T1057-V1061 WeakPolarHBondContact O-CG2 3.44Å; T1057-V1061 PolarHBondContact O-N 3.45Å; I1058-V1061 PolarHBondContact O-N 3.38Å; L1059-V1061 VanDerWaalsContact C-N 3.35Å; L1059-V1061 PolarHBondContact O-N 3.19Å; V1061-T1064 PolarHBondContact O-N 3.45Å; V1061-V1065 HydrophobicContact CG1-CG2 4.13Å; V1061-V1065 VanDerWaalsContact O-CB 3.31Å; V1061-V1065 WeakPolarHBondContact O-CB 3.16Å; V1061-V1065 WeakPolarHBondContact O-CG2 3.12Å; V1061-V1065 PolarHBondContact O-N 3.48Å; V1061-L1090 HydrophobicContact CG2-CD1 3.91Å
1062	V	96.6	Very high	95.3	Very high	67 Å²	67	47.4 Å²	47.4	41%	0.406	27%	0.273	S	S	.	.	H	α-helix	trans	-59.6	-49.8	176.9	171	0	0	0	0	110.4	I1058 L1059 T1064 A1066	I1058-V1062 HydrophobicContact CG2-CG2 4.44Å; I1058-V1062 WeakPolarHBondContact O-CG2 3.39Å; I1058-V1062 PolarHBondContact O-N 2.81Å; L1059-V1062 PolarHBondContact O-N 3.35Å; V1062-T1064 VanDerWaalsContact C-N 3.26Å; V1062-T1064 PolarHBondContact O-N 3.38Å; V1062-A1066 CarbonylContact O-C 3.54Å; V1062-A1066 PolarHBondContact O-N 3.09Å
1063	I	95.6	Very high	95.2	Very high	9 Å²	9	54.9 Å²	54.9	5%	0.046	31%	0.307	C	S	.	.	H	α-helix	trans	-60	-35.5	179.2	-68.8	169.3	0	0	0	112.3	L934 F1019 I1023 L1059 P1067 L1075 L1077	L934-I1063 HydrophobicContact CD2-CD1 3.74Å; F1019-I1063 HydrophobicContact CE1-CG2 4.11Å; I1023-I1063 HydrophobicContact CD1-CB 4.47Å; I1023-I1063 HydrophobicContact CD1-CG2 4.22Å; L1059-I1063 HydrophobicContact CD1-CD1 3.99Å; L1059-I1063 HydrophobicContact CD1-CG1 4.38Å; L1059-I1063 HydrophobicContact CG-CD1 3.95Å; L1059-I1063 VanDerWaalsContact O-CG1 3.31Å; L1059-I1063 WeakPolarHBondContact O-CG1 3.5Å; L1059-I1063 PolarHBondContact O-N 3.26Å; I1063-P1067 WeakPolarHBondContact O-CB 3.33Å; I1063-P1067 WeakPolarHBondContact O-CD 3.42Å; I1063-P1067 WeakPolarHBondContact O-CG 3.2Å; I1063-L1075 HydrophobicContact CD1-CD1 4.26Å; I1063-L1075 HydrophobicContact CG2-CD1 4.17Å; I1063-L1077 HydrophobicContact CG2-CD1 4.06Å
1064	T	95.5	Very high	95	Very high	0 Å²	0	58 Å²	58	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-84.6	-42.7	-176.1	-56.8	0	0	0	0	112.8	M1020 F1024 C1060 V1061 V1062 R1086 I1089	M1020-T1064 HydrophobicContact CB-CG2 4.14Å; M1020-T1064 HydrophobicContact CG-CG2 4.3Å; M1020-T1064 HydrophobicContact SD-CG2 4.28Å; F1024-T1064 HydrophobicContact CE2-CG2 4.18Å; F1024-T1064 VanDerWaalsContact CE2-OG1 3.28Å; F1024-T1064 WeakPolarHBondContact CE2-OG1 3.27Å; C1060-T1064 WeakPolarHBondContact O-CB 3.43Å; C1060-T1064 PolarHBondContact O-N 3.32Å; C1060-T1064 PolarHBondContact O-OG1 3.48Å; V1061-T1064 PolarHBondContact O-N 3.45Å; V1062-T1064 VanDerWaalsContact C-N 3.26Å; V1062-T1064 PolarHBondContact O-N 3.38Å; T1064-R1086 WeakPolarHBondContact O-CD 3.3Å; T1064-I1089 HydrophobicContact CG2-CB 4.15Å; T1064-I1089 HydrophobicContact CG2-CG2 3.87Å
1065	V	95.4	Very high	94.8	Very high	20 Å²	20	55.7 Å²	55.7	12%	0.121	31%	0.309	C	S	.	.	H	α-helix	trans	-88.9	-45.5	-171.9	177.9	0	0	0	0	111.5	V1061 F1083 R1086 L1087 L1090	V1061-V1065 HydrophobicContact CG1-CG2 4.13Å; V1061-V1065 VanDerWaalsContact O-CB 3.31Å; V1061-V1065 WeakPolarHBondContact O-CB 3.16Å; V1061-V1065 WeakPolarHBondContact O-CG2 3.12Å; V1061-V1065 PolarHBondContact O-N 3.48Å; V1065-F1083 HydrophobicContact CG1-CE2 3.5Å; V1065-F1083 HydrophobicContact CG1-CZ 3.85Å; V1065-R1086 WeakPolarHBondContact O-CD 3.41Å; V1065-R1086 PolarHBondContact O-NH1 3.22Å; V1065-L1087 HydrophobicContact CG1-CD2 4.34Å; V1065-L1087 HydrophobicContact CG2-CD2 4.42Å; V1065-L1090 HydrophobicContact CG2-CD2 4.25Å
1066	A	94.1	Very high	94.6	Very high	63 Å²	63	53.8 Å²	53.8	52%	0.521	30%	0.297	S	S	.	.	S	Bend	trans	-148.6	68.5	-175.8	0	0	0	0	0	110.9	V1062	V1062-A1066 CarbonylContact O-C 3.54Å; V1062-A1066 PolarHBondContact O-N 3.09Å
1067	P	93.9	Very high	94.4	Very high	17 Å²	17	54.2 Å²	54.2	11%	0.11	30%	0.299	C	S	.	.			trans	-65.8	133.6	-179.9	25.4	-32.2	0	0	0	110.2	I1063 V1072 V1079	I1063-P1067 WeakPolarHBondContact O-CB 3.33Å; I1063-P1067 WeakPolarHBondContact O-CD 3.42Å; I1063-P1067 WeakPolarHBondContact O-CG 3.2Å; P1067-V1072 HydrophobicContact CB-CG2 3.76Å; P1067-V1072 HydrophobicContact CG-CG2 3.74Å; P1067-V1079 HydrophobicContact CG-CG1 4.14Å; P1067-V1079 HydrophobicContact CG-CG2 3.62Å
1068	P	94.3	Very high	94.1	Very high	51 Å²	51	54.7 Å²	54.7	33%	0.331	30%	0.297	S	S	.	.			trans	-67.3	152.3	172.8	29.1	-34.3	0	0	0	110.7	F1070 A1071 V1072	P1068-F1070 VanDerWaalsContact C-N 3.28Å; P1068-F1070 HydrophobicContact CB-CD1 3.74Å; P1068-F1070 HydrophobicContact CB-CE1 3.65Å; P1068-F1070 HydrophobicContact CG-CD1 3.76Å; P1068-F1070 HydrophobicContact CG-CE1 3.25Å; P1068-F1070 HydrophobicContact CG-CZ 3.81Å; P1068-F1070 PolarHBondContact O-N 3.22Å; P1068-A1071 HydrophobicContact CG-CB 3.76Å; P1068-A1071 WeakPolarHBondContact O-CA 3.32Å; P1068-A1071 WeakPolarHBondContact O-CB 3.46Å; P1068-A1071 PolarHBondContact O-N 2.94Å; P1068-V1072 PolarHBondContact O-N 2.73Å; P1068-V1072 VanDerWaalsContact O-N 3.09Å
1069	D	92.9	Very high	93.9	Very high	143 Å²	143	51.4 Å²	51.4	77%	0.765	28%	0.281	S	S	*	.	H	α-helix	trans	-55.2	-41.1	-172.7	-63.4	-36.6	0	0	0	113.1	A1071 V1072 E1073	D1069-A1071 PolarHBondContact O-N 3.24Å; D1069-V1072 WeakPolarHBondContact O-CB 3.17Å; D1069-V1072 PolarHBondContact O-N 3.29Å; D1069-V1072 VanDerWaalsContact O-N 3.14Å; D1069-E1073 PolarHBondContact O-N 2.86Å
1070	F	94.5	Very high	93.7	Very high	144 Å²	144	48 Å²	48	63%	0.632	26%	0.264	S	S	*	.	H	α-helix	trans	-59.7	-36	176.4	84.2	-96.6	0	0	0	112.3	P1068 L1074	P1068-F1070 VanDerWaalsContact C-N 3.28Å; P1068-F1070 HydrophobicContact CB-CD1 3.74Å; P1068-F1070 HydrophobicContact CB-CE1 3.65Å; P1068-F1070 HydrophobicContact CG-CD1 3.76Å; P1068-F1070 HydrophobicContact CG-CE1 3.25Å; P1068-F1070 HydrophobicContact CG-CZ 3.81Å; P1068-F1070 PolarHBondContact O-N 3.22Å; F1070-L1074 WeakPolarHBondContact O-CB 3.42Å; F1070-L1074 PolarHBondContact O-N 3Å
1071	A	92.9	Very high	93.4	Very high	8 Å²	8	52.6 Å²	52.6	7%	0.066	29%	0.292	C	S	.	.	H	α-helix	trans	-76.1	-33.7	179.9	0	0	0	0	0	110.9	P1068 D1069 L1075	P1068-A1071 HydrophobicContact CG-CB 3.76Å; P1068-A1071 WeakPolarHBondContact O-CA 3.32Å; P1068-A1071 WeakPolarHBondContact O-CB 3.46Å; P1068-A1071 PolarHBondContact O-N 2.94Å; D1069-A1071 PolarHBondContact O-N 3.24Å; A1071-L1075 WeakPolarHBondContact O-CB 3.44Å; A1071-L1075 WeakPolarHBondContact O-CG 3.27Å; A1071-L1075 PolarHBondContact O-N 3.48Å
1072	V	93	Very high	93.1	Very high	38 Å²	38	53 Å²	53	23%	0.23	29%	0.292	C	S	.	.	H	α-helix	trans	-61.9	-45.5	173.8	177.7	0	0	0	0	110.5	P1067 P1068 D1069 V1076 L1077 V1079	P1067-V1072 HydrophobicContact CB-CG2 3.76Å; P1067-V1072 HydrophobicContact CG-CG2 3.74Å; P1068-V1072 PolarHBondContact O-N 2.73Å; P1068-V1072 VanDerWaalsContact O-N 3.09Å; D1069-V1072 WeakPolarHBondContact O-CB 3.17Å; D1069-V1072 PolarHBondContact O-N 3.29Å; D1069-V1072 VanDerWaalsContact O-N 3.14Å; V1072-V1076 WeakPolarHBondContact O-CA 3.18Å; V1072-V1076 PolarHBondContact O-N 3.43Å; V1072-V1076 VanDerWaalsContact O-N 3.1Å; V1072-L1077 HydrophobicContact CG1-CB 4.33Å; V1072-L1077 VanDerWaalsContact CG1-O 3.3Å; V1072-L1077 WeakPolarHBondContact CG1-O 3.36Å; V1072-L1077 PolarHBondContact O-N 3.13Å; V1072-V1079 HydrophobicContact CG1-CG2 4.17Å; V1072-V1079 HydrophobicContact CG2-CG2 3.81Å
1073	E	92.4	Very high	93	Very high	161 Å²	161	54.7 Å²	54.7	75%	0.752	29%	0.294	S	S	*	.	H	α-helix	trans	-67	-51.8	177.1	-172.5	176.1	-174.5	0	0	111.5	D1069 L1075 V1076	D1069-E1073 PolarHBondContact O-N 2.86Å; E1073-L1075 PolarHBondContact O-N 3.48Å; E1073-V1076 PolarHBondContact O-N 3.08Å; E1073-V1076 VanDerWaalsContact O-N 3.15Å
1074	L	91.7	Very high	92.9	Very high	78 Å²	78	62.1 Å²	62.1	41%	0.408	33%	0.326	S	S	.	.	H	α-helix	trans	-60.8	-42.1	-177.5	-174.3	69	0	0	0	112.7	F930 F1070 V1076	F930-L1074 HydrophobicContact CB-CG 4.18Å; F930-L1074 WeakPolarHBondContact CB-O 3.4Å; F930-L1074 HydrophobicContact CD1-CD1 3.74Å; F930-L1074 HydrophobicContact CD1-CD2 4.35Å; F930-L1074 HydrophobicContact CD1-CG 4.02Å; F930-L1074 HydrophobicContact CD2-CD1 3.78Å; F930-L1074 HydrophobicContact CD2-CG 4.34Å; F930-L1074 HydrophobicContact CE1-CD1 3.79Å; F930-L1074 HydrophobicContact CE2-CD1 3.83Å; F930-L1074 HydrophobicContact CG-CD1 3.74Å; F930-L1074 HydrophobicContact CG-CG 3.93Å; F930-L1074 HydrophobicContact CZ-CD1 3.84Å; F1070-L1074 WeakPolarHBondContact O-CB 3.42Å; F1070-L1074 PolarHBondContact O-N 3Å; L1074-V1076 VanDerWaalsContact C-N 3.33Å
1075	L	93	Very high	92.9	Very high	9 Å²	9	62.4 Å²	62.4	5%	0.047	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.5	3.6	-178.9	-61.2	172.6	0	0	0	112.9	F930 Q931 L934 F1019 I1063 A1071 E1073 L1077	F930-L1075 HydrophobicContact CB-CD2 4.17Å; F930-L1075 WeakPolarHBondContact O-CD2 3.4Å; Q931-L1075 HydrophobicContact CG-CB 4.33Å; Q931-L1075 HydrophobicContact CG-CD2 4.24Å; Q931-L1075 PolarHBondContact NE2-O 3.13Å; L934-L1075 HydrophobicContact CB-CD2 4.36Å; L934-L1075 HydrophobicContact CD2-CD1 4.25Å; L934-L1075 HydrophobicContact CD2-CD2 4.25Å; F1019-L1075 HydrophobicContact CE1-CD1 4.29Å; F1019-L1075 HydrophobicContact CZ-CD1 4.29Å; I1063-L1075 HydrophobicContact CD1-CD1 4.26Å; I1063-L1075 HydrophobicContact CG2-CD1 4.17Å; A1071-L1075 WeakPolarHBondContact O-CB 3.44Å; A1071-L1075 WeakPolarHBondContact O-CG 3.27Å; A1071-L1075 PolarHBondContact O-N 3.48Å; E1073-L1075 PolarHBondContact O-N 3.48Å; L1075-L1077 VanDerWaalsContact C-N 3.28Å; L1075-L1077 HydrophobicContact CB-CD1 3.84Å; L1075-L1077 HydrophobicContact CB-CD2 4.22Å; L1075-L1077 HydrophobicContact CB-CG 3.64Å; L1075-L1077 HydrophobicContact CD1-CD1 3.94Å; L1075-L1077 PolarHBondContact O-N 3.48Å
1076	V	91.4	Very high	92.9	Very high	50 Å²	50	63.5 Å²	63.5	30%	0.303	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.4	47.7	180	-165.8	0	0	0	0	111.2	A928 P1011 V1072 E1073 L1074	A928-V1076 HydrophobicContact CB-CB 4.11Å; A928-V1076 HydrophobicContact CB-CG2 3.97Å; P1011-V1076 HydrophobicContact CB-CG1 4.03Å; P1011-V1076 HydrophobicContact CG-CG1 4.23Å; V1072-V1076 WeakPolarHBondContact O-CA 3.18Å; V1072-V1076 PolarHBondContact O-N 3.43Å; V1072-V1076 VanDerWaalsContact O-N 3.1Å; E1073-V1076 PolarHBondContact O-N 3.08Å; E1073-V1076 VanDerWaalsContact O-N 3.15Å; L1074-V1076 VanDerWaalsContact C-N 3.33Å
1077	L	91.3	Very high	93	Very high	10 Å²	10	64.2 Å²	64.2	5%	0.052	32%	0.324	C	S	.	.			trans	-89.1	129.4	-173.8	-64.7	173.3	0	0	0	112	F1019 I1063 V1072 L1075 V1079	F1019-L1077 HydrophobicContact CD1-CD2 3.57Å; F1019-L1077 HydrophobicContact CE1-CD1 4.5Å; F1019-L1077 HydrophobicContact CE1-CD2 3.85Å; I1063-L1077 HydrophobicContact CG2-CD1 4.06Å; V1072-L1077 HydrophobicContact CG1-CB 4.33Å; V1072-L1077 VanDerWaalsContact CG1-O 3.3Å; V1072-L1077 WeakPolarHBondContact CG1-O 3.36Å; V1072-L1077 PolarHBondContact O-N 3.13Å; L1075-L1077 VanDerWaalsContact C-N 3.28Å; L1075-L1077 HydrophobicContact CB-CD1 3.84Å; L1075-L1077 HydrophobicContact CB-CD2 4.22Å; L1075-L1077 HydrophobicContact CB-CG 3.64Å; L1075-L1077 HydrophobicContact CD1-CD1 3.94Å; L1075-L1077 PolarHBondContact O-N 3.48Å; L1077-V1079 HydrophobicContact CB-CG2 4.17Å; L1077-V1079 PolarHBondContact O-N 2.93Å
1078	K	91.3	Very high	93.1	Very high	60 Å²	60	66.1 Å²	66.1	26%	0.261	33%	0.331	S	S	.	.			trans	-93.6	88.1	161.5	-154.6	173.4	-171.6	171.8	0	109.2	P1011 Y1013 S1016	P1011-K1078 HydrophobicContact CB-CB 4.05Å; Y1013-K1078 HydrophobicContact CD1-CB 4.23Å; Y1013-K1078 HydrophobicContact CD1-CD 4.1Å; Y1013-K1078 HydrophobicContact CD1-CG 3.85Å; Y1013-K1078 WeakPolarHBondContact CD1-O 3.17Å; Y1013-K1078 HydrophobicContact CD2-CD 3.77Å; Y1013-K1078 HydrophobicContact CD2-CG 4.42Å; Y1013-K1078 HydrophobicContact CE1-CB 4.45Å; Y1013-K1078 HydrophobicContact CE1-CD 4.05Å; Y1013-K1078 HydrophobicContact CE1-CG 3.66Å; Y1013-K1078 HydrophobicContact CE2-CD 3.72Å; Y1013-K1078 HydrophobicContact CE2-CG 4.26Å; Y1013-K1078 HydrophobicContact CG-CD 3.96Å; Y1013-K1078 HydrophobicContact CG-CG 4.22Å; S1016-K1078 WeakPolarHBondContact CB-O 3.46Å; S1016-K1078 PolarHBondContact OG-N 3.43Å
1079	V	92	Very high	93.2	Very high	32 Å²	32	63.7 Å²	63.7	19%	0.194	32%	0.315	C	S	.	.			trans	-66.8	127.8	-175.2	-174.1	0	0	0	0	110.2	M1020 P1067 V1072 L1077 V1081	M1020-V1079 HydrophobicContact CE-CG2 4.48Å; P1067-V1079 HydrophobicContact CG-CG1 4.14Å; P1067-V1079 HydrophobicContact CG-CG2 3.62Å; V1072-V1079 HydrophobicContact CG1-CG2 4.17Å; V1072-V1079 HydrophobicContact CG2-CG2 3.81Å; L1077-V1079 HydrophobicContact CB-CG2 4.17Å; L1077-V1079 PolarHBondContact O-N 2.93Å; V1079-V1081 PolarHBondContact O-N 3.4Å
1080	P	92.2	Very high	93.4	Very high	0 Å²	0	59.5 Å²	59.5	0%	0	29%	0.292	C	S	.	.			trans	-53.7	124	171.5	-28.2	37	0	0	0	111.3	W997 D1082 F1085 R1086 I1089	W997-P1080 HydrophobicContact CH2-CB 3.61Å; W997-P1080 HydrophobicContact CH2-CG 4.18Å; W997-P1080 HydrophobicContact CZ2-CB 4.06Å; W997-P1080 HydrophobicContact CZ3-CB 4.02Å; P1080-D1082 VanDerWaalsContact C-N 3.3Å; P1080-D1082 PolarHBondContact O-N 3.27Å; P1080-F1085 HydrophobicContact CB-CD1 3.75Å; P1080-F1085 HydrophobicContact CB-CE1 4.48Å; P1080-F1085 HydrophobicContact CG-CD1 3.89Å; P1080-F1085 HydrophobicContact CG-CE1 4.23Å; P1080-R1086 HydrophobicContact CB-CG 4.15Å; P1080-R1086 HydrophobicContact CG-CG 4.48Å; P1080-R1086 PolarHBondContact O-NE 3.1Å; P1080-R1086 VanDerWaalsContact O-NE 3.17Å; P1080-I1089 HydrophobicContact CG-CD1 4.47Å
1081	V	89.9	Confident	93.6	Very high	98 Å²	98	58 Å²	58	59%	0.594	29%	0.29	S	S	*	.	S	Bend	trans	-62.1	-43.2	-174.8	-172.9	0	0	0	0	110.2	V1079 F1083 R1086	V1079-V1081 PolarHBondContact O-N 3.4Å; V1081-F1083 PolarHBondContact O-N 2.97Å; V1081-R1086 PolarHBondContact O-NH2 3.04Å
1082	D	92	Very high	93.8	Very high	56 Å²	56	59 Å²	59	30%	0.299	29%	0.294	S	S	.	.			trans	-68.8	119.9	178.2	-177.3	14	0	0	0	112	P1080 K1084 F1085 R1086	P1080-D1082 VanDerWaalsContact C-N 3.3Å; P1080-D1082 PolarHBondContact O-N 3.27Å; D1082-K1084 VanDerWaalsContact C-N 3.3Å; D1082-K1084 PolarHBondContact O-N 2.89Å; D1082-K1084 WeakPolarHBondContact OD1-CB 3.44Å; D1082-K1084 PolarHBondContact OD1-N 3.01Å; D1082-F1085 HydrophobicContact CB-CB 4.11Å; D1082-F1085 PolarHBondContact O-N 2.91Å; D1082-F1085 PolarHBondContact OD2-N 3.45Å; D1082-R1086 PolarHBondContact O-N 3.12Å
1083	F	93.8	Very high	94	Very high	102 Å²	102	57.5 Å²	57.5	45%	0.447	29%	0.285	S	S	.	.	H	α-helix	trans	-63.5	-34.6	174.4	-174	-103.8	0	0	0	112.4	V1065 V1081 F1085 R1086 L1087	V1065-F1083 HydrophobicContact CG1-CE2 3.5Å; V1065-F1083 HydrophobicContact CG1-CZ 3.85Å; V1081-F1083 PolarHBondContact O-N 2.97Å; F1083-F1085 VanDerWaalsContact C-N 3.3Å; F1083-F1085 PolarHBondContact O-N 2.81Å; F1083-R1086 WeakPolarHBondContact O-CB 3.28Å; F1083-R1086 PolarHBondContact O-N 2.94Å; F1083-L1087 HydrophobicContact CD1-CD1 3.95Å; F1083-L1087 HydrophobicContact CD1-CG 4.21Å; F1083-L1087 HydrophobicContact CE1-CD1 3.54Å; F1083-L1087 HydrophobicContact CE1-CD2 4.24Å; F1083-L1087 HydrophobicContact CE1-CG 3.85Å; F1083-L1087 HydrophobicContact CZ-CD1 4.31Å; F1083-L1087 HydrophobicContact CZ-CD2 4.19Å; F1083-L1087 HydrophobicContact CZ-CG 4.23Å; F1083-L1087 PolarHBondContact O-N 3.31Å
1084	K	94.3	Very high	94.2	Very high	164 Å²	164	51.6 Å²	51.6	71%	0.713	27%	0.268	S	S	*	.	H	α-helix	trans	-64.5	-38	177.5	-63.8	-179.1	-179.2	178.1	0	111.1	D1082 R1086 L1087 F1088	D1082-K1084 VanDerWaalsContact C-N 3.3Å; D1082-K1084 PolarHBondContact O-N 2.89Å; D1082-K1084 WeakPolarHBondContact OD1-CB 3.44Å; D1082-K1084 PolarHBondContact OD1-N 3.01Å; K1084-R1086 VanDerWaalsContact C-N 3.35Å; K1084-L1087 PolarHBondContact O-N 2.92Å; K1084-F1088 WeakPolarHBondContact O-CB 3.06Å; K1084-F1088 PolarHBondContact O-N 3.14Å
1085	F	95.3	Very high	94.6	Very high	6 Å²	6	51.2 Å²	51.2	3%	0.026	27%	0.269	C	S	.	.	H	α-helix	trans	-65.4	-37.6	175.2	-167.3	-92.7	0	0	0	112.4	Y991 V992 Q995 W997 P1080 D1082 F1083 F1088 I1089	Y991-F1085 AromaticContact CD1-CE2 3.66Å; Y991-F1085 HydrophobicContact CD1-CE2 3.66Å; Y991-F1085 HydrophobicContact CD1-CZ 4.31Å; Y991-F1085 HydrophobicContact CE1-CD2 4.29Å; Y991-F1085 AromaticContact CE1-CE2 3.73Å; Y991-F1085 HydrophobicContact CE1-CE2 3.73Å; V992-F1085 HydrophobicContact CB-CZ 3.96Å; V992-F1085 HydrophobicContact CG2-CE1 4.14Å; V992-F1085 HydrophobicContact CG2-CZ 3.96Å; Q995-F1085 HydrophobicContact CG-CD2 3.8Å; Q995-F1085 HydrophobicContact CG-CE2 3.53Å; Q995-F1085 HydrophobicContact CG-CZ 4.27Å; W997-F1085 AromaticContact CH2-CD1 3.7Å; W997-F1085 HydrophobicContact CH2-CD1 3.7Å; W997-F1085 HydrophobicContact CH2-CD2 4.33Å; W997-F1085 AromaticContact CH2-CE1 3.85Å; W997-F1085 HydrophobicContact CH2-CE1 3.85Å; W997-F1085 HydrophobicContact CH2-CE2 4.46Å; W997-F1085 AromaticContact CH2-CG 3.95Å; W997-F1085 HydrophobicContact CH2-CG 3.95Å; W997-F1085 HydrophobicContact CH2-CZ 4.24Å; W997-F1085 HydrophobicContact CZ2-CB 3.74Å; W997-F1085 AromaticContact CZ2-CD1 3.69Å; W997-F1085 HydrophobicContact CZ2-CD1 3.69Å; W997-F1085 AromaticContact CZ2-CD2 3.74Å; W997-F1085 HydrophobicContact CZ2-CD2 3.74Å; W997-F1085 HydrophobicContact CZ2-CE1 4.19Å; W997-F1085 HydrophobicContact CZ2-CE2 4.23Å; W997-F1085 AromaticContact CZ2-CG 3.44Å; W997-F1085 HydrophobicContact CZ2-CG 3.44Å; W997-F1085 VanDerWaalsContact CZ2-CG 3.44Å; W997-F1085 HydrophobicContact CZ2-CZ 4.44Å; P1080-F1085 HydrophobicContact CB-CD1 3.75Å; P1080-F1085 HydrophobicContact CB-CE1 4.48Å; P1080-F1085 HydrophobicContact CG-CD1 3.89Å; P1080-F1085 HydrophobicContact CG-CE1 4.23Å; D1082-F1085 HydrophobicContact CB-CB 4.11Å; D1082-F1085 PolarHBondContact O-N 2.91Å; D1082-F1085 PolarHBondContact OD2-N 3.45Å; F1083-F1085 VanDerWaalsContact C-N 3.3Å; F1083-F1085 PolarHBondContact O-N 2.81Å; F1085-F1088 HydrophobicContact CE2-CD1 4.4Å; F1085-F1088 WeakPolarHBondContact O-CB 3.31Å; F1085-F1088 PolarHBondContact O-N 2.96Å; F1085-F1088 VanDerWaalsContact O-N 3.17Å; F1085-I1089 HydrophobicContact CD1-CD1 4.05Å; F1085-I1089 HydrophobicContact CD1-CG1 4.27Å; F1085-I1089 HydrophobicContact CE1-CD1 3.87Å; F1085-I1089 HydrophobicContact CE1-CG1 4.06Å; F1085-I1089 PolarHBondContact O-N 2.92Å
1086	R	95.6	Very high	94.8	Very high	44 Å²	44	50.9 Å²	50.9	17%	0.166	27%	0.267	C	S	.	.	H	α-helix	trans	-62.9	-43.1	173.5	-69.4	178	-87.6	166.9	-10.3	112.1	T1064 V1065 P1080 V1081 D1082 F1083 K1084 F1088 I1089 L1090	T1064-R1086 WeakPolarHBondContact O-CD 3.3Å; V1065-R1086 WeakPolarHBondContact O-CD 3.41Å; V1065-R1086 PolarHBondContact O-NH1 3.22Å; P1080-R1086 HydrophobicContact CB-CG 4.15Å; P1080-R1086 HydrophobicContact CG-CG 4.48Å; P1080-R1086 PolarHBondContact O-NE 3.1Å; P1080-R1086 VanDerWaalsContact O-NE 3.17Å; V1081-R1086 PolarHBondContact O-NH2 3.04Å; D1082-R1086 PolarHBondContact O-N 3.12Å; F1083-R1086 WeakPolarHBondContact O-CB 3.28Å; F1083-R1086 PolarHBondContact O-N 2.94Å; K1084-R1086 VanDerWaalsContact C-N 3.35Å; R1086-F1088 VanDerWaalsContact C-N 3.3Å; R1086-F1088 PolarHBondContact O-N 3.44Å; R1086-I1089 PolarHBondContact O-N 2.85Å; R1086-L1090 PolarHBondContact O-N 3.08Å
1087	L	96	Very high	95.1	Very high	77 Å²	77	52 Å²	52	40%	0.403	27%	0.267	S	S	.	.	H	α-helix	trans	-64.6	-33.5	171.9	-67.8	-178.3	0	0	0	112.6	V1065 F1083 K1084 L1090 L1091	V1065-L1087 HydrophobicContact CG1-CD2 4.34Å; V1065-L1087 HydrophobicContact CG2-CD2 4.42Å; F1083-L1087 HydrophobicContact CD1-CD1 3.95Å; F1083-L1087 HydrophobicContact CD1-CG 4.21Å; F1083-L1087 HydrophobicContact CE1-CD1 3.54Å; F1083-L1087 HydrophobicContact CE1-CD2 4.24Å; F1083-L1087 HydrophobicContact CE1-CG 3.85Å; F1083-L1087 HydrophobicContact CZ-CD1 4.31Å; F1083-L1087 HydrophobicContact CZ-CD2 4.19Å; F1083-L1087 HydrophobicContact CZ-CG 4.23Å; F1083-L1087 PolarHBondContact O-N 3.31Å; K1084-L1087 PolarHBondContact O-N 2.92Å; L1087-L1090 WeakPolarHBondContact O-CB 3.05Å; L1087-L1090 PolarHBondContact O-N 2.89Å; L1087-L1091 PolarHBondContact O-N 2.81Å
1088	F	96.3	Very high	95.4	Very high	58 Å²	58	55.2 Å²	55.2	25%	0.254	29%	0.287	S	S	.	.	H	α-helix	trans	-64.4	-40.7	174.4	174.4	-99.6	0	0	0	112.1	Y991 K1084 F1085 R1086 L1090 L1091 M1092	Y991-F1088 HydrophobicContact CD1-CD1 4.2Å; Y991-F1088 AromaticContact CD1-CE1 3.5Å; Y991-F1088 HydrophobicContact CD1-CE1 3.5Å; Y991-F1088 VanDerWaalsContact CD1-CE1 3.5Å; Y991-F1088 HydrophobicContact CD1-CZ 4.05Å; Y991-F1088 AromaticContact CE1-CD1 3.98Å; Y991-F1088 HydrophobicContact CE1-CD1 3.98Å; Y991-F1088 AromaticContact CE1-CE1 3.52Å; Y991-F1088 HydrophobicContact CE1-CE1 3.52Å; Y991-F1088 AromaticContact CE1-CZ 3.87Å; Y991-F1088 HydrophobicContact CE1-CZ 3.87Å; K1084-F1088 WeakPolarHBondContact O-CB 3.06Å; K1084-F1088 PolarHBondContact O-N 3.14Å; F1085-F1088 HydrophobicContact CE2-CD1 4.4Å; F1085-F1088 WeakPolarHBondContact O-CB 3.31Å; F1085-F1088 PolarHBondContact O-N 2.96Å; F1085-F1088 VanDerWaalsContact O-N 3.17Å; R1086-F1088 VanDerWaalsContact C-N 3.3Å; R1086-F1088 PolarHBondContact O-N 3.44Å; F1088-L1090 VanDerWaalsContact C-N 3.28Å; F1088-L1090 PolarHBondContact O-N 3.12Å; F1088-L1091 WeakPolarHBondContact O-CB 3.45Å; F1088-L1091 PolarHBondContact O-N 2.87Å; F1088-M1092 HydrophobicContact CD1-CG 4.13Å; F1088-M1092 HydrophobicContact CD2-CG 4.41Å; F1088-M1092 HydrophobicContact CE1-CG 3.63Å; F1088-M1092 HydrophobicContact CE1-SD 4.37Å; F1088-M1092 HydrophobicContact CE2-CG 3.96Å; F1088-M1092 HydrophobicContact CE2-SD 3.98Å; F1088-M1092 HydrophobicContact CG-CG 4.49Å; F1088-M1092 HydrophobicContact CZ-CG 3.54Å; F1088-M1092 HydrophobicContact CZ-SD 3.69Å; F1088-M1092 WeakPolarHBondContact O-CG 3.21Å; F1088-M1092 PolarHBondContact O-N 2.66Å
1089	I	96.3	Very high	95.7	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-58.6	-43.7	172.8	-64.5	171.1	0	0	0	110.4	C1017 M1020 T1064 P1080 F1085 R1086 L1091 M1092 A1093	C1017-I1089 HydrophobicContact CB-CD1 4.47Å; M1020-I1089 HydrophobicContact CB-CD1 4.43Å; M1020-I1089 HydrophobicContact CB-CG2 4.2Å; M1020-I1089 HydrophobicContact SD-CD1 4.06Å; T1064-I1089 HydrophobicContact CG2-CB 4.15Å; T1064-I1089 HydrophobicContact CG2-CG2 3.87Å; P1080-I1089 HydrophobicContact CG-CD1 4.47Å; F1085-I1089 HydrophobicContact CD1-CD1 4.05Å; F1085-I1089 HydrophobicContact CD1-CG1 4.27Å; F1085-I1089 HydrophobicContact CE1-CD1 3.87Å; F1085-I1089 HydrophobicContact CE1-CG1 4.06Å; F1085-I1089 PolarHBondContact O-N 2.92Å; R1086-I1089 PolarHBondContact O-N 2.85Å; I1089-L1091 PolarHBondContact O-N 3.32Å; I1089-M1092 PolarHBondContact O-N 2.93Å; I1089-A1093 PolarHBondContact O-N 3.46Å
1090	L	96.6	Very high	96	Very high	55 Å²	55	52 Å²	52	29%	0.288	28%	0.276	S	S	.	.	H	α-helix	trans	-63.1	-40.9	176.8	-176.7	63.3	0	0	0	112.2	F1024 V1061 V1065 R1086 L1087 F1088 A1093 G1094	F1024-L1090 HydrophobicContact CE1-CD1 3.98Å; F1024-L1090 HydrophobicContact CE2-CD1 4.48Å; F1024-L1090 HydrophobicContact CZ-CD1 3.81Å; V1061-L1090 HydrophobicContact CG2-CD1 3.91Å; V1065-L1090 HydrophobicContact CG2-CD2 4.25Å; R1086-L1090 PolarHBondContact O-N 3.08Å; L1087-L1090 WeakPolarHBondContact O-CB 3.05Å; L1087-L1090 PolarHBondContact O-N 2.89Å; F1088-L1090 VanDerWaalsContact C-N 3.28Å; F1088-L1090 PolarHBondContact O-N 3.12Å; L1090-A1093 WeakPolarHBondContact O-CB 3.5Å; L1090-A1093 PolarHBondContact O-N 2.83Å; L1090-G1094 PolarHBondContact O-N 2.78Å
1091	L	97.5	Very high	96.1	Very high	112 Å²	112	54.2 Å²	54.2	59%	0.586	29%	0.287	S	S	*	.	H	α-helix	trans	-60.9	-46.9	173.3	179	66.7	0	0	0	111.2	L1087 F1088 I1089 A1093 G1094 V1095	L1087-L1091 PolarHBondContact O-N 2.81Å; F1088-L1091 WeakPolarHBondContact O-CB 3.45Å; F1088-L1091 PolarHBondContact O-N 2.87Å; I1089-L1091 PolarHBondContact O-N 3.32Å; L1091-A1093 VanDerWaalsContact C-N 3.29Å; L1091-A1093 PolarHBondContact O-N 3.19Å; L1091-G1094 PolarHBondContact O-N 2.84Å; L1091-G1094 VanDerWaalsContact O-N 3.09Å; L1091-V1095 WeakPolarHBondContact O-CG2 3.35Å; L1091-V1095 PolarHBondContact O-N 3.2Å
1092	M	97.6	Very high	96.4	Very high	29 Å²	29	53.6 Å²	53.6	14%	0.143	28%	0.28	C	S	.	.	H	α-helix	trans	-61.5	-37.3	177.3	-71.9	-56.2	-57.1	0	0	112.1	F984 I988 I1021 F1088 I1089 V1095 N1096	F984-M1092 HydrophobicContact CD1-CE 3.46Å; F984-M1092 VanDerWaalsContact CD1-CE 3.46Å; F984-M1092 HydrophobicContact CE1-CE 3.45Å; F984-M1092 VanDerWaalsContact CE1-CE 3.45Å; I988-M1092 HydrophobicContact CD1-CB 4.22Å; I1021-M1092 HydrophobicContact CD1-CB 4.39Å; F1088-M1092 HydrophobicContact CD1-CG 4.13Å; F1088-M1092 HydrophobicContact CD2-CG 4.41Å; F1088-M1092 HydrophobicContact CE1-CG 3.63Å; F1088-M1092 HydrophobicContact CE1-SD 4.37Å; F1088-M1092 HydrophobicContact CE2-CG 3.96Å; F1088-M1092 HydrophobicContact CE2-SD 3.98Å; F1088-M1092 HydrophobicContact CG-CG 4.49Å; F1088-M1092 HydrophobicContact CZ-CG 3.54Å; F1088-M1092 HydrophobicContact CZ-SD 3.69Å; F1088-M1092 WeakPolarHBondContact O-CG 3.21Å; F1088-M1092 PolarHBondContact O-N 2.66Å; I1089-M1092 PolarHBondContact O-N 2.93Å; M1092-V1095 PolarHBondContact O-N 3.45Å; M1092-N1096 WeakPolarHBondContact O-CB 3.48Å; M1092-N1096 PolarHBondContact O-N 2.95Å
1093	A	97.5	Very high	96.6	Very high	6 Å²	6	51.7 Å²	51.7	5%	0.05	27%	0.27	C	S	.	.	H	α-helix	trans	-61.8	-43.4	172.2	0	0	0	0	0	111.8	I1021 F1024 I1089 L1090 L1091 N1096 F1097	I1021-A1093 HydrophobicContact CD1-CB 3.87Å; F1024-A1093 HydrophobicContact CB-CB 3.69Å; F1024-A1093 HydrophobicContact CD1-CB 4.35Å; F1024-A1093 HydrophobicContact CD2-CB 3.74Å; F1024-A1093 HydrophobicContact CE2-CB 4.46Å; F1024-A1093 HydrophobicContact CG-CB 3.67Å; I1089-A1093 PolarHBondContact O-N 3.46Å; L1090-A1093 WeakPolarHBondContact O-CB 3.5Å; L1090-A1093 PolarHBondContact O-N 2.83Å; L1091-A1093 VanDerWaalsContact C-N 3.29Å; L1091-A1093 PolarHBondContact O-N 3.19Å; A1093-N1096 PolarHBondContact O-N 2.9Å; A1093-F1097 WeakPolarHBondContact O-CB 3.39Å; A1093-F1097 PolarHBondContact O-N 2.97Å
1094	G	97.6	Very high	96.6	Very high	37 Å²	37	47 Å²	47	38%	0.381	25%	0.25	S	S	.	.	H	α-helix	trans	-63.4	-42.8	175.1	0	0	0	0	0	113.4	L1090 L1091 F1097 V1098	L1090-G1094 PolarHBondContact O-N 2.78Å; L1091-G1094 PolarHBondContact O-N 2.84Å; L1091-G1094 VanDerWaalsContact O-N 3.09Å; G1094-F1097 WeakPolarHBondContact O-CB 3.31Å; G1094-F1097 PolarHBondContact O-N 3.02Å; G1094-V1098 WeakPolarHBondContact O-CG2 3.28Å; G1094-V1098 PolarHBondContact O-N 3.38Å; G1094-V1098 VanDerWaalsContact O-N 3.11Å
1095	V	98.2	Very high	96.5	Very high	71 Å²	71	42.3 Å²	42.3	43%	0.43	23%	0.233	S	C	.	.	H	α-helix	trans	-64.1	-42.7	175.4	176.6	0	0	0	0	110.8	F984 L1091 M1092 F1097 V1098 A1099	F984-V1095 HydrophobicContact CE1-CB 4.24Å; F984-V1095 HydrophobicContact CE1-CG1 4.06Å; F984-V1095 HydrophobicContact CZ-CG1 4Å; L1091-V1095 WeakPolarHBondContact O-CG2 3.35Å; L1091-V1095 PolarHBondContact O-N 3.2Å; M1092-V1095 PolarHBondContact O-N 3.45Å; V1095-F1097 VanDerWaalsContact C-N 3.35Å; V1095-F1097 PolarHBondContact O-N 2.98Å; V1095-V1098 PolarHBondContact O-N 2.83Å; V1095-A1099 WeakPolarHBondContact O-CB 3.47Å; V1095-A1099 PolarHBondContact O-N 2.98Å
1096	N	98.3	Very high	96.4	Very high	1 Å²	1	48 Å²	48	1%	0.005	26%	0.258	C	S	.	.	H	α-helix	trans	-60.9	-44.7	176	-169.1	12.1	0	0	0	111.5	F984 Q1025 M1092 A1093 V1098 A1099 C1100	F984-N1096 HydrophobicContact CD1-CB 3.61Å; F984-N1096 HydrophobicContact CD2-CB 4.11Å; F984-N1096 HydrophobicContact CE1-CB 3.64Å; F984-N1096 HydrophobicContact CE2-CB 4.13Å; F984-N1096 HydrophobicContact CG-CB 3.86Å; F984-N1096 HydrophobicContact CZ-CB 3.91Å; Q1025-N1096 WeakPolarHBondContact CG-ND2 3.29Å; Q1025-N1096 PolarHBondContact NE2-ND2 2.66Å; Q1025-N1096 VanDerWaalsContact NE2-ND2 3.18Å; M1092-N1096 WeakPolarHBondContact O-CB 3.48Å; M1092-N1096 PolarHBondContact O-N 2.95Å; A1093-N1096 PolarHBondContact O-N 2.9Å; N1096-V1098 PolarHBondContact O-N 3.27Å; N1096-A1099 PolarHBondContact O-N 3.45Å; N1096-C1100 WeakPolarHBondContact O-CB 3.4Å; N1096-C1100 PolarHBondContact O-N 3.16Å; N1096-C1100 PolarHBondContact O-SG 2.82Å; N1096-C1100 PolarHBondContact OD1-SG 3.41Å
1097	F	97.9	Very high	96.2	Very high	73 Å²	73	49.1 Å²	49.1	32%	0.32	27%	0.266	S	S	.	.	H	α-helix	trans	-55.5	-49	176.5	174.7	-98.7	0	0	0	112.2	T1028 V1031 A1093 G1094 V1095 C1100 I1101	T1028-F1097 HydrophobicContact CG2-CB 4.36Å; T1028-F1097 HydrophobicContact CG2-CD2 3.98Å; V1031-F1097 HydrophobicContact CB-CE2 4.06Å; V1031-F1097 HydrophobicContact CG1-CE2 3.84Å; V1031-F1097 HydrophobicContact CG1-CZ 4.1Å; V1031-F1097 HydrophobicContact CG2-CE2 4.35Å; A1093-F1097 WeakPolarHBondContact O-CB 3.39Å; A1093-F1097 PolarHBondContact O-N 2.97Å; G1094-F1097 WeakPolarHBondContact O-CB 3.31Å; G1094-F1097 PolarHBondContact O-N 3.02Å; V1095-F1097 VanDerWaalsContact C-N 3.35Å; V1095-F1097 PolarHBondContact O-N 2.98Å; F1097-C1100 PolarHBondContact O-N 3.27Å; F1097-I1101 HydrophobicContact CD1-CD1 4.01Å; F1097-I1101 HydrophobicContact CD2-CD1 4.38Å; F1097-I1101 HydrophobicContact CE1-CD1 3.4Å; F1097-I1101 VanDerWaalsContact CE1-CD1 3.4Å; F1097-I1101 HydrophobicContact CE2-CD1 3.82Å; F1097-I1101 HydrophobicContact CG-CD1 4.47Å; F1097-I1101 HydrophobicContact CZ-CD1 3.31Å; F1097-I1101 HydrophobicContact CZ-CG1 4.47Å; F1097-I1101 WeakPolarHBondContact O-CG1 3.46Å; F1097-I1101 PolarHBondContact O-N 3.47Å; F1097-I1101 VanDerWaalsContact O-N 3.11Å
1098	V	97.8	Very high	95.9	Very high	78 Å²	78	45.6 Å²	45.6	47%	0.473	25%	0.248	S	C	.	.	H	α-helix	trans	-62.7	-46.3	176.9	175.1	0	0	0	0	111	G1094 V1095 N1096 C1100 I1101 L1102	G1094-V1098 WeakPolarHBondContact O-CG2 3.28Å; G1094-V1098 PolarHBondContact O-N 3.38Å; G1094-V1098 VanDerWaalsContact O-N 3.11Å; V1095-V1098 PolarHBondContact O-N 2.83Å; N1096-V1098 PolarHBondContact O-N 3.27Å; V1098-C1100 VanDerWaalsContact C-N 3.32Å; V1098-C1100 PolarHBondContact O-N 3.28Å; V1098-I1101 PolarHBondContact O-N 3.35Å; V1098-L1102 HydrophobicContact CG1-CD1 3.87Å; V1098-L1102 HydrophobicContact CG1-CG 4.2Å; V1098-L1102 VanDerWaalsContact O-CG 3.29Å; V1098-L1102 WeakPolarHBondContact O-CG 3.28Å; V1098-L1102 PolarHBondContact O-N 2.91Å
1099	A	97.9	Very high	95.4	Very high	25 Å²	25	46.7 Å²	46.7	21%	0.207	26%	0.256	C	S	.	.	H	α-helix	trans	-59.2	-41.3	179	0	0	0	0	0	112.7	V1095 N1096 L1102 T1103	V1095-A1099 WeakPolarHBondContact O-CB 3.47Å; V1095-A1099 PolarHBondContact O-N 2.98Å; N1096-A1099 PolarHBondContact O-N 3.45Å; A1099-L1102 PolarHBondContact O-N 3.18Å; A1099-T1103 VanDerWaalsContact O-CB 3.31Å; A1099-T1103 WeakPolarHBondContact O-CB 3.39Å; A1099-T1103 PolarHBondContact O-N 3.05Å; A1099-T1103 PolarHBondContact O-OG1 3.25Å
1100	C	97.6	Very high	95	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-65.9	-42.7	178	-68.9	0	0	0	0	112.2	Q977 M981 T1028 V1032 N1096 F1097 V1098 T1103 E1104	Q977-C1100 PolarHBondContact NE2-O 3.42Å; Q977-C1100 VanDerWaalsContact NE2-O 3.09Å; Q977-C1100 VanDerWaalsContact OE1-CB 3.25Å; Q977-C1100 PolarHBondContact OE1-SG 3.31Å; Q977-C1100 VanDerWaalsContact OE1-SG 3.35Å; M981-C1100 WeakPolarHBondContact CE-SG 3.41Å; T1028-C1100 HydrophobicContact CG2-CB 3.59Å; V1032-C1100 HydrophobicContact CG2-CB 3.91Å; N1096-C1100 WeakPolarHBondContact O-CB 3.4Å; N1096-C1100 PolarHBondContact O-N 3.16Å; N1096-C1100 PolarHBondContact O-SG 2.82Å; N1096-C1100 PolarHBondContact OD1-SG 3.41Å; F1097-C1100 PolarHBondContact O-N 3.27Å; V1098-C1100 VanDerWaalsContact C-N 3.32Å; V1098-C1100 PolarHBondContact O-N 3.28Å; C1100-T1103 PolarHBondContact O-N 3.37Å; C1100-E1104 PolarHBondContact O-N 3.31Å
1101	I	95.2	Very high	94.6	Very high	47 Å²	47	52.5 Å²	52.5	24%	0.241	29%	0.286	C	S	.	.	H	α-helix	trans	-63.9	-46.5	175.7	-72.3	178.8	0	0	0	111.1	V1032 F1097 V1098 T1103 E1104 N1105	V1032-I1101 HydrophobicContact CG2-CG1 3.99Å; F1097-I1101 HydrophobicContact CD1-CD1 4.01Å; F1097-I1101 HydrophobicContact CD2-CD1 4.38Å; F1097-I1101 HydrophobicContact CE1-CD1 3.4Å; F1097-I1101 VanDerWaalsContact CE1-CD1 3.4Å; F1097-I1101 HydrophobicContact CE2-CD1 3.82Å; F1097-I1101 HydrophobicContact CG-CD1 4.47Å; F1097-I1101 HydrophobicContact CZ-CD1 3.31Å; F1097-I1101 HydrophobicContact CZ-CG1 4.47Å; F1097-I1101 WeakPolarHBondContact O-CG1 3.46Å; F1097-I1101 PolarHBondContact O-N 3.47Å; F1097-I1101 VanDerWaalsContact O-N 3.11Å; V1098-I1101 PolarHBondContact O-N 3.35Å; I1101-T1103 VanDerWaalsContact C-N 3.31Å; I1101-T1103 PolarHBondContact O-N 3.22Å; I1101-E1104 PolarHBondContact O-N 3.1Å; I1101-N1105 WeakPolarHBondContact CG2-ND2 3.36Å; I1101-N1105 WeakPolarHBondContact O-CB 3.28Å; I1101-N1105 PolarHBondContact O-N 3Å
1102	L	95.9	Very high	94.1	Very high	84 Å²	84	48 Å²	48	44%	0.44	26%	0.263	S	S	.	.	H	α-helix	trans	-61.6	-42.7	178.9	-69.1	177.6	0	0	0	111	V1098 A1099 N1105 F1106	V1098-L1102 HydrophobicContact CG1-CD1 3.87Å; V1098-L1102 HydrophobicContact CG1-CG 4.2Å; V1098-L1102 VanDerWaalsContact O-CG 3.29Å; V1098-L1102 WeakPolarHBondContact O-CG 3.28Å; V1098-L1102 PolarHBondContact O-N 2.91Å; A1099-L1102 PolarHBondContact O-N 3.18Å; L1102-N1105 PolarHBondContact O-N 3.01Å; L1102-F1106 HydrophobicContact CB-CD2 4.32Å; L1102-F1106 HydrophobicContact CD2-CD2 3.75Å; L1102-F1106 HydrophobicContact CD2-CE2 3.48Å; L1102-F1106 VanDerWaalsContact CD2-CE2 3.48Å; L1102-F1106 VanDerWaalsContact O-CB 3.32Å; L1102-F1106 WeakPolarHBondContact O-CB 3.42Å; L1102-F1106 WeakPolarHBondContact O-CD2 3.25Å; L1102-F1106 PolarHBondContact O-N 2.88Å
1103	T	95.8	Very high	93.3	Very high	17 Å²	17	48.4 Å²	48.4	10%	0.104	27%	0.268	C	S	.	.	I	π-helix	trans	-62.1	-47.4	177.5	-63.4	0	0	0	0	111.6	L976 L980 A1099 C1100 I1101 N1105 I1107 V1108	L976-T1103 HydrophobicContact CB-CG2 3.95Å; L976-T1103 HydrophobicContact CD1-CG2 4.33Å; L980-T1103 HydrophobicContact CD1-CG2 4.03Å; L980-T1103 WeakPolarHBondContact CD1-OG1 3.43Å; A1099-T1103 VanDerWaalsContact O-CB 3.31Å; A1099-T1103 WeakPolarHBondContact O-CB 3.39Å; A1099-T1103 PolarHBondContact O-N 3.05Å; A1099-T1103 PolarHBondContact O-OG1 3.25Å; C1100-T1103 PolarHBondContact O-N 3.37Å; I1101-T1103 VanDerWaalsContact C-N 3.31Å; I1101-T1103 PolarHBondContact O-N 3.22Å; T1103-N1105 PolarHBondContact O-N 3.24Å; T1103-I1107 HydrophobicContact CG2-CB 4.47Å; T1103-I1107 HydrophobicContact CG2-CD1 4.19Å; T1103-I1107 WeakPolarHBondContact O-CA 3.2Å; T1103-I1107 VanDerWaalsContact O-CB 3.25Å; T1103-I1107 WeakPolarHBondContact O-CB 3.33Å; T1103-I1107 PolarHBondContact O-N 3.06Å; T1103-V1108 PolarHBondContact O-N 2.88Å
1104	E	94.2	Very high	92.6	Very high	4 Å²	4	54.9 Å²	54.9	2%	0.019	30%	0.295	C	S	.	.	I	π-helix	trans	-69.1	-35.4	-179	-165.1	69.9	-166.5	0	0	112.4	K904 S973 Q977 V1032 K1035 C1100 I1101 V1108 D1109	K904-E1104 IonicContact NZ-OE1 3.77Å; S973-E1104 PolarHBondContact OG-OE1 3.28Å; S973-E1104 PolarHBondContact OG-OE2 3.37Å; Q977-E1104 PolarHBondContact NE2-OE2 3.19Å; V1032-E1104 HydrophobicContact CG1-CB 3.64Å; V1032-E1104 HydrophobicContact CG1-CG 3.64Å; K1035-E1104 VanDerWaalsContact CE-CG 3.43Å; K1035-E1104 VanDerWaalsContact NZ-CG 3.33Å; K1035-E1104 PolarHBondContact NZ-O 2.99Å; C1100-E1104 PolarHBondContact O-N 3.31Å; I1101-E1104 PolarHBondContact O-N 3.1Å; E1104-V1108 WeakPolarHBondContact O-CB 3.45Å; E1104-D1109 PolarHBondContact O-N 3.16Å
1105	N	91.9	Very high	91.9	Very high	65 Å²	65	56.7 Å²	56.7	35%	0.348	30%	0.295	S	S	.	.	I	π-helix	trans	-85.2	-41.5	-177.3	-69.9	-18.6	0	0	0	113.3	K1035 I1101 L1102 T1103 D1109	K1035-N1105 WeakPolarHBondContact CE-OD1 3.25Å; K1035-N1105 PolarHBondContact NZ-OD1 3.27Å; I1101-N1105 WeakPolarHBondContact CG2-ND2 3.36Å; I1101-N1105 WeakPolarHBondContact O-CB 3.28Å; I1101-N1105 PolarHBondContact O-N 3Å; L1102-N1105 PolarHBondContact O-N 3.01Å; T1103-N1105 PolarHBondContact O-N 3.24Å; N1105-D1109 WeakPolarHBondContact O-CB 3.28Å
1106	F	92.2	Very high	90.9	Very high	126 Å²	126	55.1 Å²	55.1	55%	0.553	29%	0.286	S	S	*	.	I	π-helix	trans	-92.5	-43.7	-176.6	-68.5	-80	0	0	0	112.6	L1102 L1110 L1111	L1102-F1106 HydrophobicContact CB-CD2 4.32Å; L1102-F1106 HydrophobicContact CD2-CD2 3.75Å; L1102-F1106 HydrophobicContact CD2-CE2 3.48Å; L1102-F1106 VanDerWaalsContact CD2-CE2 3.48Å; L1102-F1106 VanDerWaalsContact O-CB 3.32Å; L1102-F1106 WeakPolarHBondContact O-CB 3.42Å; L1102-F1106 WeakPolarHBondContact O-CD2 3.25Å; L1102-F1106 PolarHBondContact O-N 2.88Å; F1106-L1110 HydrophobicContact CD1-CD1 3.98Å; F1106-L1110 WeakPolarHBondContact O-CB 3.28Å; F1106-L1111 PolarHBondContact O-N 2.66Å
1107	I	92.1	Very high	89.6	Confident	66 Å²	66	64.2 Å²	64.2	34%	0.338	32%	0.32	S	S	.	.	I	π-helix	trans	-81.7	-55.9	-176.2	-56	179.5	0	0	0	109.6	L976 T1103 L1111 I1112	L976-I1107 HydrophobicContact CD1-CG2 3.84Å; T1103-I1107 HydrophobicContact CG2-CB 4.47Å; T1103-I1107 HydrophobicContact CG2-CD1 4.19Å; T1103-I1107 WeakPolarHBondContact O-CA 3.2Å; T1103-I1107 VanDerWaalsContact O-CB 3.25Å; T1103-I1107 WeakPolarHBondContact O-CB 3.33Å; T1103-I1107 PolarHBondContact O-N 3.06Å; I1107-L1111 HydrophobicContact CG2-CD2 4.42Å; I1107-L1111 WeakPolarHBondContact O-CB 3.36Å; I1107-L1111 PolarHBondContact O-N 3.24Å; I1107-I1112 HydrophobicContact CG2-CG1 4.47Å; I1107-I1112 WeakPolarHBondContact O-CG1 3.31Å; I1107-I1112 PolarHBondContact O-N 3.04Å
1108	V	89.8	Confident	88.5	Confident	3 Å²	3	68 Å²	68	2%	0.018	34%	0.338	C	S	.	.	I	π-helix	trans	-71.6	-45.9	-172.9	175.9	0	0	0	0	112.7	L976 T1103 E1104 I1112 P1113	L976-V1108 HydrophobicContact CD1-CG2 4.08Å; T1103-V1108 PolarHBondContact O-N 2.88Å; E1104-V1108 WeakPolarHBondContact O-CB 3.45Å; V1108-I1112 HydrophobicContact CG2-CD1 4.35Å; V1108-P1113 VanDerWaalsContact O-CD 3.22Å; V1108-P1113 WeakPolarHBondContact O-CD 3.42Å
1109	D	86.1	Confident	87.3	Confident	82 Å²	82	71.1 Å²	71.1	44%	0.439	35%	0.346	S	S	.	.	I	π-helix	trans	-85.3	-32.9	-174.8	-77.7	3.9	0	0	0	113.9	K1035 E1104 N1105 P1113	K1035-D1109 IonicContact NZ-OD1 2.7Å; K1035-D1109 PolarHBondContact NZ-OD1 2.94Å; K1035-D1109 IonicContact NZ-OD2 2.88Å; K1035-D1109 PolarHBondContact NZ-OD2 3.34Å; E1104-D1109 PolarHBondContact O-N 3.16Å; N1105-D1109 WeakPolarHBondContact O-CB 3.28Å; D1109-P1113 WeakPolarHBondContact O-CG 3.38Å
1110	L	87.3	Confident	85.5	Confident	92 Å²	92	77.9 Å²	77.9	48%	0.482	37%	0.371	S	S	.	.	I	π-helix	trans	-102.8	-51	-176.2	-61.2	173.8	0	0	0	112.7	F1106 K1114	F1106-L1110 HydrophobicContact CD1-CD1 3.98Å; F1106-L1110 WeakPolarHBondContact O-CB 3.28Å; L1110-K1114 WeakPolarHBondContact O-CD 3.03Å; L1110-K1114 VanDerWaalsContact O-CG 3.28Å; L1110-K1114 WeakPolarHBondContact O-CG 3.47Å
1111	L	89	Confident	83.2	Confident	84 Å²	84	82 Å²	82	44%	0.44	40%	0.398	S	S	.	.	I	π-helix	trans	-76.5	-49.3	-172.7	-171.9	66.9	0	0	0	112.7	F1106 I1107 K1114 L1115	F1106-L1111 PolarHBondContact O-N 2.66Å; I1107-L1111 HydrophobicContact CG2-CD2 4.42Å; I1107-L1111 WeakPolarHBondContact O-CB 3.36Å; I1107-L1111 PolarHBondContact O-N 3.24Å; L1111-K1114 WeakPolarHBondContact O-CB 3.22Å; L1111-K1114 PolarHBondContact O-N 3.3Å; L1111-L1115 HydrophobicContact CD1-CD1 4.29Å; L1111-L1115 HydrophobicContact CD1-CG 4.29Å; L1111-L1115 HydrophobicContact CD2-CD1 4.15Å; L1111-L1115 HydrophobicContact CG-CD1 3.73Å; L1111-L1115 HydrophobicContact CG-CG 4.15Å; L1111-L1115 WeakPolarHBondContact O-CG 3.04Å; L1111-L1115 PolarHBondContact O-N 3.3Å
1112	I	86.2	Confident	81.1	Confident	18 Å²	18	82.7 Å²	82.7	9%	0.092	42%	0.418	C	S	.	.	H	α-helix	trans	-60.1	-44.6	-176.9	-68.4	-179.4	0	0	0	112.4	V968 A972 L976 I1107 V1108 K1114 L1115 T1116	V968-I1112 HydrophobicContact CG1-CG2 4.29Å; A972-I1112 HydrophobicContact CB-CD1 3.4Å; A972-I1112 VanDerWaalsContact CB-CD1 3.4Å; L976-I1112 HydrophobicContact CD1-CD1 4.27Å; I1107-I1112 HydrophobicContact CG2-CG1 4.47Å; I1107-I1112 WeakPolarHBondContact O-CG1 3.31Å; I1107-I1112 PolarHBondContact O-N 3.04Å; V1108-I1112 HydrophobicContact CG2-CD1 4.35Å; I1112-K1114 VanDerWaalsContact C-N 3.27Å; I1112-K1114 PolarHBondContact O-N 3.09Å; I1112-L1115 PolarHBondContact O-N 2.83Å; I1112-T1116 HydrophobicContact CG2-CG2 4.05Å; I1112-T1116 WeakPolarHBondContact O-CB 3.43Å; I1112-T1116 WeakPolarHBondContact O-CG2 3.35Å; I1112-T1116 PolarHBondContact O-N 2.89Å; I1112-T1116 PolarHBondContact O-OG1 3.46Å
1113	P	80.7	Confident	78.7	Confident	37 Å²	37	83.2 Å²	83.2	24%	0.24	43%	0.428	C	S	.	.	H	α-helix	trans	-63.8	-31.3	175.6	-27.9	39.5	0	0	0	113	V1108 D1109 T1116 R1117	V1108-P1113 VanDerWaalsContact O-CD 3.22Å; V1108-P1113 WeakPolarHBondContact O-CD 3.42Å; D1109-P1113 WeakPolarHBondContact O-CG 3.38Å; P1113-T1116 WeakPolarHBondContact CA-OG1 3.05Å; P1113-T1116 PolarHBondContact O-OG1 2.96Å; P1113-R1117 WeakPolarHBondContact O-CB 3.34Å; P1113-R1117 WeakPolarHBondContact O-CD 3.46Å; P1113-R1117 WeakPolarHBondContact O-CG 3.29Å; P1113-R1117 PolarHBondContact O-N 3.43Å
1114	K	83.5	Confident	76.6	Confident	143 Å²	143	87.2 Å²	87.2	62%	0.622	45%	0.453	S	S	*	.	H	α-helix	trans	-69.8	-44.2	173.3	-73.2	177.2	-179.5	-177.1	0	111.4	L1110 L1111 I1112 R1117 H1118	L1110-K1114 WeakPolarHBondContact O-CD 3.03Å; L1110-K1114 VanDerWaalsContact O-CG 3.28Å; L1110-K1114 WeakPolarHBondContact O-CG 3.47Å; L1111-K1114 WeakPolarHBondContact O-CB 3.22Å; L1111-K1114 PolarHBondContact O-N 3.3Å; I1112-K1114 VanDerWaalsContact C-N 3.27Å; I1112-K1114 PolarHBondContact O-N 3.09Å; K1114-R1117 PolarHBondContact O-N 2.83Å; K1114-H1118 WeakPolarHBondContact O-CB 3.09Å; K1114-H1118 PolarHBondContact O-N 2.8Å
1115	L	83.4	Confident	74.8	Confident	74 Å²	74	90.9 Å²	90.9	39%	0.387	48%	0.484	S	S	.	.	H	α-helix	trans	-67.3	-44.7	179.2	-69.4	171.9	0	0	0	112.4	L1111 I1112 R1117 H1118 F1119	L1111-L1115 HydrophobicContact CD1-CD1 4.29Å; L1111-L1115 HydrophobicContact CD1-CG 4.29Å; L1111-L1115 HydrophobicContact CD2-CD1 4.15Å; L1111-L1115 HydrophobicContact CG-CD1 3.73Å; L1111-L1115 HydrophobicContact CG-CG 4.15Å; L1111-L1115 WeakPolarHBondContact O-CG 3.04Å; L1111-L1115 PolarHBondContact O-N 3.3Å; I1112-L1115 PolarHBondContact O-N 2.83Å; L1115-R1117 VanDerWaalsContact C-N 3.27Å; L1115-R1117 PolarHBondContact O-N 3.49Å; L1115-H1118 PolarHBondContact O-N 2.71Å; L1115-F1119 HydrophobicContact CB-CD2 4.44Å; L1115-F1119 HydrophobicContact CD2-CD2 4.47Å; L1115-F1119 HydrophobicContact CD2-CE2 4Å; L1115-F1119 WeakPolarHBondContact O-CD2 3.42Å; L1115-F1119 PolarHBondContact O-N 2.88Å
1116	T	76.4	Confident	73.6	Confident	38 Å²	38	90.7 Å²	90.7	23%	0.233	49%	0.488	C	S	.	.	H	α-helix	trans	-62.3	-37.1	177.7	49.4	0	0	0	0	111.6	V968 I1112 P1113 K1120 C1121	V968-T1116 HydrophobicContact CB-CG2 4.31Å; V968-T1116 HydrophobicContact CG1-CG2 3.9Å; I1112-T1116 HydrophobicContact CG2-CG2 4.05Å; I1112-T1116 WeakPolarHBondContact O-CB 3.43Å; I1112-T1116 WeakPolarHBondContact O-CG2 3.35Å; I1112-T1116 PolarHBondContact O-N 2.89Å; I1112-T1116 PolarHBondContact O-OG1 3.46Å; P1113-T1116 WeakPolarHBondContact CA-OG1 3.05Å; P1113-T1116 PolarHBondContact O-OG1 2.96Å; T1116-K1120 PolarHBondContact O-N 2.76Å; T1116-C1121 PolarHBondContact O-N 3.01Å
1117	R	70.4	Confident	73	Confident	193 Å²	193	86.9 Å²	86.9	73%	0.728	48%	0.475	S	S	*	.	H	α-helix	trans	-63.6	-42.5	170.3	-74.6	172.3	-175.3	-170.9	0.5	112.5	P1113 K1114 L1115	P1113-R1117 WeakPolarHBondContact O-CB 3.34Å; P1113-R1117 WeakPolarHBondContact O-CD 3.46Å; P1113-R1117 WeakPolarHBondContact O-CG 3.29Å; P1113-R1117 PolarHBondContact O-N 3.43Å; K1114-R1117 PolarHBondContact O-N 2.83Å; L1115-R1117 VanDerWaalsContact C-N 3.27Å; L1115-R1117 PolarHBondContact O-N 3.49Å
1118	H	75	Confident	72.5	Confident	152 Å²	152	90.6 Å²	90.6	70%	0.704	49%	0.485	S	S	*	.	H	α-helix	trans	-68.9	-47.4	-178	-169.2	77.2	0	0	0	112.5	K1114 L1115 K1120	K1114-H1118 WeakPolarHBondContact O-CB 3.09Å; K1114-H1118 PolarHBondContact O-N 2.8Å; L1115-H1118 PolarHBondContact O-N 2.71Å; H1118-K1120 VanDerWaalsContact C-N 3.32Å; H1118-K1120 PolarHBondContact O-N 2.95Å
1119	F	71.7	Confident	72.4	Confident	144 Å²	144	92.6 Å²	92.6	63%	0.632	49%	0.493	S	S	*	.	H	α-helix	trans	-83.1	-2.5	-177.1	-73.9	-71.6	0	0	0	114.4	L1115 C1121	L1115-F1119 HydrophobicContact CB-CD2 4.44Å; L1115-F1119 HydrophobicContact CD2-CD2 4.47Å; L1115-F1119 HydrophobicContact CD2-CE2 4Å; L1115-F1119 WeakPolarHBondContact O-CD2 3.42Å; L1115-F1119 PolarHBondContact O-N 2.88Å; F1119-C1121 HydrophobicContact CB-CB 4.19Å; F1119-C1121 PolarHBondContact O-N 2.91Å
1120	K	61.5	Low	72.3	Confident	166 Å²	166	90.8 Å²	90.8	72%	0.722	49%	0.486	S	S	*	.			trans	50.4	18.4	-169	-60.6	179.1	-178.8	172.4	0	113.5	T1116 H1118 G1122 S1123	T1116-K1120 PolarHBondContact O-N 2.76Å; H1118-K1120 VanDerWaalsContact C-N 3.32Å; H1118-K1120 PolarHBondContact O-N 2.95Å; K1120-G1122 PolarHBondContact O-N 3.28Å; K1120-S1123 PolarHBondContact O-N 3.15Å
1121	C	49	Very low	72.1	Confident	86 Å²	86	89.1 Å²	89.1	58%	0.581	48%	0.476	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.3	115	-178.6	-116.7	0	0	0	0	108.6	T1116 F1119	T1116-C1121 PolarHBondContact O-N 3.01Å; F1119-C1121 HydrophobicContact CB-CB 4.19Å; F1119-C1121 PolarHBondContact O-N 2.91Å
1122	G	50.4	Low	71.7	Confident	63 Å²	63	86.1 Å²	86.1	65%	0.649	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.4	33.2	-178.2	0	0	0	0	0	113.8	K1120 T1124	K1120-G1122 PolarHBondContact O-N 3.28Å; G1122-T1124 PolarHBondContact O-N 3.12Å
1123	S	45.9	Very low	71.6	Confident	95 Å²	95	86.4 Å²	86.4	66%	0.664	46%	0.461	S	S	*	.			trans	-59.1	90.2	159.4	71.3	0	0	0	0	107.4	K1120 A1125	K1120-S1123 PolarHBondContact O-N 3.15Å; S1123-A1125 PolarHBondContact O-N 2.97Å
1124	T	51.5	Low	71.5	Confident	100 Å²	100	88.2 Å²	88.2	61%	0.613	48%	0.475	S	S	*	.			trans	-48.7	128.7	160.6	47.8	0	0	0	0	105.3	G1122 S1126	G1122-T1124 PolarHBondContact O-N 3.12Å; T1124-S1126 PolarHBondContact O-N 3.29Å; T1124-S1126 VanDerWaalsContact O-N 3.08Å
1125	A	56.1	Low	71.3	Confident	82 Å²	82	88.8 Å²	88.8	68%	0.678	47%	0.473	S	S	*	.			trans	-41.8	127.3	169	0	0	0	0	0	106.8	S1123	S1123-A1125 PolarHBondContact O-N 2.97Å
1126	S	67.1	Low	71.1	Confident	61 Å²	61	85.3 Å²	85.3	43%	0.427	46%	0.455	S	S	.	.			trans	-49.9	140.7	176.5	39	0	0	0	0	107.6	T1124 R1128 Q1131	T1124-S1126 PolarHBondContact O-N 3.29Å; T1124-S1126 VanDerWaalsContact O-N 3.08Å; S1126-R1128 PolarHBondContact O-N 3.32Å; S1126-Q1131 PolarHBondContact O-NE2 3.35Å; S1126-Q1131 WeakPolarHBondContact OG-CG 3.35Å
1127	P	79	Confident	71	Confident	45 Å²	45	83.5 Å²	83.5	29%	0.292	44%	0.443	S	S	.	.			trans	-46.3	141.9	177.5	-28.4	34.5	0	0	0	110.3	D839 Y1129 C1130 Q1131	D839-P1127 HydrophobicContact CB-CB 4.01Å; P1127-Y1129 HydrophobicContact CB-CD1 3.46Å; P1127-Y1129 VanDerWaalsContact CB-CD1 3.46Å; P1127-Y1129 HydrophobicContact CB-CE1 3.19Å; P1127-Y1129 HydrophobicContact CB-CG 4.35Å; P1127-Y1129 HydrophobicContact CG-CE1 3.84Å; P1127-Y1129 PolarHBondContact O-N 3.23Å; P1127-Y1129 VanDerWaalsContact O-N 3.13Å; P1127-C1130 WeakPolarHBondContact O-CA 3.2Å; P1127-C1130 WeakPolarHBondContact O-CB 3.21Å; P1127-C1130 PolarHBondContact O-N 3.11Å; P1127-Q1131 PolarHBondContact O-N 3.08Å; P1127-Q1131 VanDerWaalsContact O-N 3.11Å
1128	R	83.4	Confident	71	Confident	144 Å²	144	77 Å²	77	54%	0.543	44%	0.437	S	S	.	.	H	α-helix	trans	-52.9	-39.4	-175.6	-74.8	174.2	172.4	-168.4	-2.4	112	E837 M838 D839 S1126 C1130 Q1131 E1132	E837-R1128 WeakPolarHBondContact O-CD 3.42Å; M838-R1128 HydrophobicContact CE-CB 3.97Å; M838-R1128 HydrophobicContact SD-CB 4.39Å; D839-R1128 WeakPolarHBondContact OD2-CG 3.47Å; D839-R1128 PolarHBondContact OD2-N 3.2Å; S1126-R1128 PolarHBondContact O-N 3.32Å; R1128-C1130 VanDerWaalsContact C-N 3.33Å; R1128-C1130 PolarHBondContact O-N 2.94Å; R1128-Q1131 WeakPolarHBondContact O-CB 3.14Å; R1128-Q1131 PolarHBondContact O-N 3.38Å; R1128-Q1131 VanDerWaalsContact O-N 3.13Å; R1128-E1132 PolarHBondContact O-N 3.38Å
1129	Y	86	Confident	70.9	Confident	45 Å²	45	73 Å²	73	18%	0.176	43%	0.426	C	S	.	.	H	α-helix	trans	-60.4	-38.4	174.5	76.1	-95.5	0	0	0	113.7	M838 D839 Y840 P1127 Q1131 E1132 L1133	M838-Y1129 WeakPolarHBondContact O-CB 3.42Å; M838-Y1129 VanDerWaalsContact O-CD1 3.31Å; M838-Y1129 WeakPolarHBondContact O-CD1 3.23Å; M838-Y1129 PolarHBondContact O-N 3.48Å; D839-Y1129 HydrophobicContact CB-CD1 4.41Å; Y840-Y1129 HydrophobicContact CD1-CD1 4.21Å; Y840-Y1129 HydrophobicContact CD1-CD2 4.46Å; Y840-Y1129 HydrophobicContact CD1-CE1 4.45Å; Y840-Y1129 HydrophobicContact CD1-CG 4.24Å; Y840-Y1129 HydrophobicContact CD2-CD1 4.26Å; Y840-Y1129 HydrophobicContact CD2-CG 4.1Å; Y840-Y1129 HydrophobicContact CE1-CD1 4.21Å; Y840-Y1129 AromaticContact CE1-CD2 3.69Å; Y840-Y1129 HydrophobicContact CE1-CD2 3.69Å; Y840-Y1129 HydrophobicContact CE1-CE2 4.05Å; Y840-Y1129 AromaticContact CE1-CG 3.8Å; Y840-Y1129 HydrophobicContact CE1-CG 3.8Å; Y840-Y1129 HydrophobicContact CE2-CD1 4.3Å; Y840-Y1129 HydrophobicContact CE2-CD2 4.19Å; Y840-Y1129 AromaticContact CE2-CG 3.67Å; Y840-Y1129 HydrophobicContact CE2-CG 3.67Å; Y840-Y1129 HydrophobicContact CG-CD1 4.22Å; Y840-Y1129 HydrophobicContact CG-CG 4.37Å; Y840-Y1129 VanDerWaalsContact CZ-CB 3.44Å; Y840-Y1129 AromaticContact CZ-CD2 3.51Å; Y840-Y1129 AromaticContact CZ-CG 3.49Å; Y840-Y1129 VanDerWaalsContact CZ-CG 3.49Å; Y840-Y1129 WeakPolarHBondContact OH-CD2 3.49Å; P1127-Y1129 HydrophobicContact CB-CD1 3.46Å; P1127-Y1129 VanDerWaalsContact CB-CD1 3.46Å; P1127-Y1129 HydrophobicContact CB-CE1 3.19Å; P1127-Y1129 HydrophobicContact CB-CG 4.35Å; P1127-Y1129 HydrophobicContact CG-CE1 3.84Å; P1127-Y1129 PolarHBondContact O-N 3.23Å; P1127-Y1129 VanDerWaalsContact O-N 3.13Å; Y1129-Q1131 VanDerWaalsContact C-N 3.33Å; Y1129-E1132 PolarHBondContact O-N 3.25Å; Y1129-L1133 HydrophobicContact CD2-CD1 3.99Å; Y1129-L1133 VanDerWaalsContact O-CB 3.3Å; Y1129-L1133 WeakPolarHBondContact O-CB 3.35Å; Y1129-L1133 VanDerWaalsContact O-CG 3.23Å; Y1129-L1133 WeakPolarHBondContact O-CG 3.09Å; Y1129-L1133 PolarHBondContact O-N 3.09Å
1130	C	84	Confident	70.9	Confident	45 Å²	45	67.8 Å²	67.8	30%	0.304	40%	0.404	S	S	.	.	H	α-helix	trans	-65.9	-38.4	175.2	-72.1	0	0	0	0	111.3	P1127 R1128 S1134	P1127-C1130 WeakPolarHBondContact O-CA 3.2Å; P1127-C1130 WeakPolarHBondContact O-CB 3.21Å; P1127-C1130 PolarHBondContact O-N 3.11Å; R1128-C1130 VanDerWaalsContact C-N 3.33Å; R1128-C1130 PolarHBondContact O-N 2.94Å; C1130-S1134 WeakPolarHBondContact O-CB 3.46Å; C1130-S1134 PolarHBondContact O-N 3.13Å; C1130-S1134 PolarHBondContact O-OG 3.05Å
1131	Q	82.8	Confident	71.2	Confident	56 Å²	56	62.3 Å²	62.3	26%	0.262	39%	0.39	S	S	.	.	H	α-helix	trans	-62.5	-48.4	175.9	-61.9	-179.7	25.2	0	0	110.5	S1126 P1127 R1128 Y1129 S1134 R1135	S1126-Q1131 PolarHBondContact O-NE2 3.35Å; S1126-Q1131 WeakPolarHBondContact OG-CG 3.35Å; P1127-Q1131 PolarHBondContact O-N 3.08Å; P1127-Q1131 VanDerWaalsContact O-N 3.11Å; R1128-Q1131 WeakPolarHBondContact O-CB 3.14Å; R1128-Q1131 PolarHBondContact O-N 3.38Å; R1128-Q1131 VanDerWaalsContact O-N 3.13Å; Y1129-Q1131 VanDerWaalsContact C-N 3.33Å; Q1131-S1134 PolarHBondContact O-N 3.29Å; Q1131-S1134 PolarHBondContact O-OG 2.82Å; Q1131-R1135 WeakPolarHBondContact O-CG 3.43Å; Q1131-R1135 PolarHBondContact O-N 3.41Å
1132	E	82.4	Confident	72.3	Confident	22 Å²	22	59.6 Å²	59.6	10%	0.103	37%	0.367	C	S	.	.	H	α-helix	trans	-63.8	-49.7	177.3	-65.9	-48.5	134.1	0	0	111.3	P811 K812 M838 R1128 Y1129 S1134 R1135 V1136	P811-E1132 HydrophobicContact CB-CG 4.49Å; K812-E1132 WeakPolarHBondContact CE-OE2 3.1Å; K812-E1132 VanDerWaalsContact CG-OE2 3.22Å; K812-E1132 WeakPolarHBondContact CG-OE2 3.25Å; M838-E1132 HydrophobicContact CE-CB 4.14Å; M838-E1132 HydrophobicContact CE-CG 3.39Å; R1128-E1132 PolarHBondContact O-N 3.38Å; Y1129-E1132 PolarHBondContact O-N 3.25Å; E1132-S1134 PolarHBondContact O-N 2.77Å; E1132-R1135 WeakPolarHBondContact O-CA 3.41Å; E1132-R1135 WeakPolarHBondContact O-CB 3.28Å; E1132-R1135 PolarHBondContact O-N 3.5Å; E1132-R1135 IonicContact OE1-CZ 3.64Å; E1132-R1135 IonicContact OE1-NH1 3.88Å; E1132-R1135 PolarHBondContact OE1-NH1 3.13Å; E1132-R1135 IonicContact OE2-NH1 3.94Å; E1132-V1136 VanDerWaalsContact O-CG2 3.24Å; E1132-V1136 WeakPolarHBondContact O-CG2 3.28Å; E1132-V1136 PolarHBondContact O-N 3.43Å
1133	L	82.8	Confident	73.1	Confident	23 Å²	23	56.6 Å²	56.6	12%	0.12	34%	0.337	C	S	.	.	H	α-helix	trans	-54.2	-39.7	176.5	-75.2	175.5	0	0	0	112.8	C815 M816 Y1129 R1135 V1136 A1137	C815-L1133 HydrophobicContact CB-CD2 4.18Å; C815-L1133 HydrophobicContact CB-CG 4.28Å; M816-L1133 HydrophobicContact CG-CD2 4.47Å; M816-L1133 HydrophobicContact SD-CD2 3.53Å; M816-L1133 VanDerWaalsContact SD-CD2 3.53Å; Y1129-L1133 HydrophobicContact CD2-CD1 3.99Å; Y1129-L1133 VanDerWaalsContact O-CB 3.3Å; Y1129-L1133 WeakPolarHBondContact O-CB 3.35Å; Y1129-L1133 VanDerWaalsContact O-CG 3.23Å; Y1129-L1133 WeakPolarHBondContact O-CG 3.09Å; Y1129-L1133 PolarHBondContact O-N 3.09Å; L1133-R1135 PolarHBondContact O-N 3.07Å; L1133-V1136 PolarHBondContact O-N 3.27Å; L1133-A1137 WeakPolarHBondContact O-CB 3.33Å; L1133-A1137 PolarHBondContact O-N 2.62Å
1134	S	79	Confident	73.5	Confident	75 Å²	75	57.3 Å²	57.3	52%	0.524	33%	0.333	S	S	.	.	H	α-helix	trans	-65.8	-27.1	176.9	73.1	0	0	0	0	113.5	C1130 Q1131 E1132	C1130-S1134 WeakPolarHBondContact O-CB 3.46Å; C1130-S1134 PolarHBondContact O-N 3.13Å; C1130-S1134 PolarHBondContact O-OG 3.05Å; Q1131-S1134 PolarHBondContact O-N 3.29Å; Q1131-S1134 PolarHBondContact O-OG 2.82Å; E1132-S1134 PolarHBondContact O-N 2.77Å
1135	R	78.8	Confident	73.4	Confident	156 Å²	156	58.3 Å²	58.3	59%	0.589	34%	0.338	S	S	*	.	H	α-helix	trans	-81.4	-31.3	176.4	-66.8	168.2	176.8	173.8	-3.5	112.5	Q1131 E1132 L1133	Q1131-R1135 WeakPolarHBondContact O-CG 3.43Å; Q1131-R1135 PolarHBondContact O-N 3.41Å; E1132-R1135 WeakPolarHBondContact O-CA 3.41Å; E1132-R1135 WeakPolarHBondContact O-CB 3.28Å; E1132-R1135 PolarHBondContact O-N 3.5Å; E1132-R1135 IonicContact OE1-CZ 3.64Å; E1132-R1135 IonicContact OE1-NH1 3.88Å; E1132-R1135 PolarHBondContact OE1-NH1 3.13Å; E1132-R1135 IonicContact OE2-NH1 3.94Å; L1133-R1135 PolarHBondContact O-N 3.07Å
1136	V	79.6	Confident	73.1	Confident	0 Å²	0	55.5 Å²	55.5	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-114.4	-29.2	-165.3	-58.5	0	0	0	0	115.3	Y790 K812 M816 E1132 L1133 G1138 W1142	Y790-V1136 PolarHBondContact OH-O 3.42Å; Y790-V1136 VanDerWaalsContact OH-O 3.07Å; K812-V1136 HydrophobicContact CB-CG1 4.13Å; K812-V1136 HydrophobicContact CD-CG1 3.87Å; K812-V1136 HydrophobicContact CG-CG1 3.95Å; M816-V1136 HydrophobicContact CG-CB 4.22Å; M816-V1136 HydrophobicContact CG-CG2 3.3Å; M816-V1136 HydrophobicContact SD-CG2 3.61Å; E1132-V1136 VanDerWaalsContact O-CG2 3.24Å; E1132-V1136 WeakPolarHBondContact O-CG2 3.28Å; E1132-V1136 PolarHBondContact O-N 3.43Å; L1133-V1136 PolarHBondContact O-N 3.27Å; V1136-G1138 VanDerWaalsContact C-N 3.31Å; V1136-G1138 PolarHBondContact O-N 3.33Å; V1136-W1142 HydrophobicContact CB-CD2 4.1Å; V1136-W1142 HydrophobicContact CB-CG 4.16Å; V1136-W1142 HydrophobicContact CB-CZ2 4Å; V1136-W1142 VanDerWaalsContact CB-NE1 3.32Å; V1136-W1142 HydrophobicContact CG1-CD2 3.62Å; V1136-W1142 HydrophobicContact CG1-CE3 4.21Å; V1136-W1142 HydrophobicContact CG1-CG 3.75Å; V1136-W1142 HydrophobicContact CG1-CZ2 4.09Å
1137	A	73.9	Confident	71.9	Confident	0 Å²	0	62.7 Å²	62.7	0%	0	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-15.4	-167.9	0	0	0	0	0	114.4	V786 R788 T789 M816 L1133	V786-A1137 HydrophobicContact CB-CB 4.37Å; V786-A1137 HydrophobicContact CG1-CB 3.63Å; R788-A1137 HydrophobicContact CG-CB 4.39Å; T789-A1137 PolarHBondContact N-O 2.69Å; T789-A1137 PolarHBondContact OG1-O 3.01Å; M816-A1137 HydrophobicContact CE-CB 4.13Å; M816-A1137 HydrophobicContact SD-CB 3.9Å; L1133-A1137 WeakPolarHBondContact O-CB 3.33Å; L1133-A1137 PolarHBondContact O-N 2.62Å
1138	G	71.4	Confident	70.1	Confident	57 Å²	57	67.3 Å²	67.3	59%	0.588	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88	-19.2	179	0	0	0	0	0	115.1	V1136	V1136-G1138 VanDerWaalsContact C-N 3.31Å; V1136-G1138 PolarHBondContact O-N 3.33Å
1139	S	73.6	Confident	68.3	Low	69 Å²	69	63.4 Å²	63.4	48%	0.483	34%	0.339	S	S	.	.			trans	-156.5	137.2	179.2	173.6	0	0	0	0	110	A1141	S1139-A1141 PolarHBondContact O-N 2.99Å; S1139-A1141 WeakPolarHBondContact OG-CB 3.44Å; S1139-A1141 PolarHBondContact OG-N 3.18Å
1140	I	71.7	Confident	66	Low	34 Å²	34	67.9 Å²	67.9	17%	0.174	36%	0.362	C	S	.	.	G	3₁₀ helix	trans	-77	-9.2	-179.3	-156	162	0	0	0	113.5	Y737 L752 Y790 L792 W1142 L1143	Y737-I1140 HydrophobicContact CD1-CD1 4.3Å; Y737-I1140 HydrophobicContact CD2-CD1 3.44Å; Y737-I1140 VanDerWaalsContact CD2-CD1 3.44Å; Y737-I1140 HydrophobicContact CE1-CD1 4.46Å; Y737-I1140 HydrophobicContact CE2-CD1 3.65Å; Y737-I1140 HydrophobicContact CG-CD1 3.8Å; L752-I1140 HydrophobicContact CD1-CD1 3.56Å; L752-I1140 HydrophobicContact CD1-CG1 3.52Å; L752-I1140 HydrophobicContact CD2-CD1 4.4Å; Y790-I1140 HydrophobicContact CD1-CB 4.09Å; Y790-I1140 HydrophobicContact CD1-CD1 4.37Å; Y790-I1140 HydrophobicContact CD1-CG1 4.41Å; Y790-I1140 HydrophobicContact CD2-CD1 3.61Å; Y790-I1140 HydrophobicContact CD2-CG1 4.11Å; Y790-I1140 HydrophobicContact CE1-CB 3.77Å; Y790-I1140 HydrophobicContact CE1-CD1 4.48Å; Y790-I1140 HydrophobicContact CE1-CG1 4.07Å; Y790-I1140 HydrophobicContact CE2-CB 4.34Å; Y790-I1140 HydrophobicContact CE2-CD1 3.7Å; Y790-I1140 HydrophobicContact CE2-CG1 3.7Å; Y790-I1140 HydrophobicContact CG-CD1 3.97Å; Y790-I1140 HydrophobicContact CG-CG1 4.44Å; L792-I1140 HydrophobicContact CD2-CD1 4.36Å; I1140-W1142 PolarHBondContact O-N 3.35Å; I1140-L1143 PolarHBondContact O-N 3.4Å
1141	A	66	Low	63.9	Low	50 Å²	50	67.9 Å²	67.9	41%	0.413	37%	0.365	S	S	.	.	G	3₁₀ helix	trans	-59.3	-18.3	-171.1	0	0	0	0	0	115.1	S1139 L1143 D1144 V1145	S1139-A1141 PolarHBondContact O-N 2.99Å; S1139-A1141 WeakPolarHBondContact OG-CB 3.44Å; S1139-A1141 PolarHBondContact OG-N 3.18Å; A1141-L1143 PolarHBondContact O-N 2.81Å; A1141-D1144 PolarHBondContact O-N 3.19Å; A1141-V1145 WeakPolarHBondContact O-CG2 3.29Å
1142	W	72.6	Confident	61.7	Low	29 Å²	29	71.5 Å²	71.5	11%	0.11	39%	0.391	C	S	.	.	G	3₁₀ helix	trans	-68.1	-17.5	179.2	63.7	-86.5	0	0	0	114	Y790 L792 L809 K812 L813 M816 V1136 I1140	Y790-W1142 PolarHBondContact OH-NE1 2.94Å; L792-W1142 HydrophobicContact CD1-CZ2 4.35Å; L809-W1142 HydrophobicContact CD2-CE3 4.23Å; L809-W1142 HydrophobicContact CD2-CZ3 4.18Å; K812-W1142 HydrophobicContact CB-CE3 4.04Å; K812-W1142 HydrophobicContact CB-CH2 3.52Å; K812-W1142 HydrophobicContact CB-CZ2 4.35Å; K812-W1142 HydrophobicContact CB-CZ3 3.35Å; K812-W1142 HydrophobicContact CD-CD2 4.26Å; K812-W1142 HydrophobicContact CD-CE3 3.52Å; K812-W1142 HydrophobicContact CD-CZ3 3.69Å; K812-W1142 HydrophobicContact CG-CE3 4.41Å; K812-W1142 HydrophobicContact CG-CZ3 4.17Å; L813-W1142 HydrophobicContact CD2-CH2 3.99Å; L813-W1142 HydrophobicContact CG-CH2 4.13Å; L813-W1142 HydrophobicContact CG-CZ3 4.47Å; M816-W1142 HydrophobicContact CG-CZ2 4.28Å; V1136-W1142 HydrophobicContact CB-CD2 4.1Å; V1136-W1142 HydrophobicContact CB-CG 4.16Å; V1136-W1142 HydrophobicContact CB-CZ2 4Å; V1136-W1142 VanDerWaalsContact CB-NE1 3.32Å; V1136-W1142 HydrophobicContact CG1-CD2 3.62Å; V1136-W1142 HydrophobicContact CG1-CE3 4.21Å; V1136-W1142 HydrophobicContact CG1-CG 3.75Å; V1136-W1142 HydrophobicContact CG1-CZ2 4.09Å; I1140-W1142 PolarHBondContact O-N 3.35Å
1143	L	67.5	Low	59.4	Low	1 Å²	1	76.2 Å²	76.2	1%	0.005	42%	0.417	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-37.1	173.3	-121.4	99.1	0	0	0	112	V739 V750 L752 L813 I1140 A1141 V1145 S1146	V739-L1143 HydrophobicContact CG1-CD2 4.2Å; V739-L1143 HydrophobicContact CG2-CD2 4.45Å; V750-L1143 HydrophobicContact CG1-CD2 3.56Å; V750-L1143 HydrophobicContact CG1-CG 4.41Å; L752-L1143 HydrophobicContact CD1-CB 3.92Å; L752-L1143 HydrophobicContact CD1-CD2 4.02Å; L752-L1143 HydrophobicContact CD1-CG 4.49Å; L752-L1143 HydrophobicContact CD2-CD2 3.78Å; L752-L1143 HydrophobicContact CG-CB 4.5Å; L752-L1143 HydrophobicContact CG-CD2 3.69Å; L813-L1143 HydrophobicContact CD2-CD1 4.03Å; I1140-L1143 PolarHBondContact O-N 3.4Å; A1141-L1143 PolarHBondContact O-N 2.81Å; L1143-V1145 PolarHBondContact O-N 3Å; L1143-S1146 WeakPolarHBondContact O-CB 3.33Å; L1143-S1146 PolarHBondContact O-OG 2.88Å; L1143-S1146 PolarHBondContact O-N 2.91Å
1144	D	54.9	Low	57.3	Low	110 Å²	110	78.5 Å²	78.5	59%	0.588	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68	-21.6	-179.9	-78.4	-23.2	0	0	0	112.9	A1141 S1146	A1141-D1144 PolarHBondContact O-N 3.19Å; D1144-S1146 PolarHBondContact O-N 3.32Å; D1144-S1146 VanDerWaalsContact O-N 3.08Å
1145	V	49.6	Very low	55.1	Low	120 Å²	120	84.2 Å²	84.2	73%	0.727	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.2	7.6	174.7	-159.9	0	0	0	0	112.2	A1141 L1143 R1147	A1141-V1145 WeakPolarHBondContact O-CG2 3.29Å; L1143-V1145 PolarHBondContact O-N 3Å; V1145-R1147 PolarHBondContact O-N 3.25Å
1146	S	49.5	Very low	52.9	Low	23 Å²	23	80.5 Å²	80.5	16%	0.161	45%	0.453	C	S	.	.			trans	-59.8	112	177.5	62.6	0	0	0	0	110.6	L1143 D1144 K1148	L1143-S1146 WeakPolarHBondContact O-CB 3.33Å; L1143-S1146 PolarHBondContact O-OG 2.88Å; L1143-S1146 PolarHBondContact O-N 2.91Å; D1144-S1146 PolarHBondContact O-N 3.32Å; D1144-S1146 VanDerWaalsContact O-N 3.08Å; S1146-K1148 PolarHBondContact O-N 3.44Å
1147	R	42.2	Very low	50.6	Low	212 Å²	212	83 Å²	83	80%	0.8	47%	0.466	S	S	*	.			trans	-63.5	125.8	-176.2	-144.9	179.3	-169.8	-177.6	1.1	108.8	F806 V1145 V1149	F806-R1147 WeakPolarHBondContact CE1-O 3.33Å; V1145-R1147 PolarHBondContact O-N 3.25Å; R1147-V1149 PolarHBondContact O-N 3.34Å; R1147-V1149 VanDerWaalsContact O-N 3.13Å
1148	K	41.1	Very low	48.5	Very low	143 Å²	143	89.3 Å²	89.3	62%	0.622	50%	0.504	S	S	*	.			trans	-52.5	114.3	168.9	-73.6	-177.8	177.6	-174.3	0	110	K747 E749 S1146	K747-K1148 HydrophobicContact CD-CB 4.11Å; K747-K1148 HydrophobicContact CD-CD 4.42Å; E749-K1148 WeakPolarHBondContact OE1-CE 3.24Å; S1146-K1148 PolarHBondContact O-N 3.44Å
1149	V	45.4	Very low	46.6	Very low	62 Å²	62	96.4 Å²	96.4	38%	0.376	52%	0.519	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	126.6	171.3	-177.5	0	0	0	0	108.1	K747 F806 R1147	K747-V1149 WeakPolarHBondContact CA-O 3.45Å; K747-V1149 WeakPolarHBondContact CB-O 3.12Å; F806-V1149 HydrophobicContact CE1-CG2 3.98Å; F806-V1149 HydrophobicContact CZ-CG2 4.45Å; R1147-V1149 PolarHBondContact O-N 3.34Å; R1147-V1149 VanDerWaalsContact O-N 3.13Å
1150	E	37.6	Very low	44.7	Very low	138 Å²	138	101.9 Å²	101.9	65%	0.645	53%	0.529	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.7	122.1	174	-83.9	167.4	-174.2	0	0	110.1	K747 T1152	K747-E1150 HydrophobicContact CD-CG 4.37Å; K747-E1150 VanDerWaalsContact CE-CG 3.44Å; K747-E1150 IonicContact NZ-OE1 3.93Å; K747-E1150 PolarHBondContact NZ-OE1 3.28Å; E1150-T1152 PolarHBondContact O-N 3.5Å; E1150-T1152 VanDerWaalsContact O-N 3.17Å
1151	A	40.3	Very low	42.6	Very low	46 Å²	46	106 Å²	106	38%	0.38	55%	0.548	S	S	.	.			trans	-74.2	105	173.7	0	0	0	0	0	110	G746 D1153	G746-A1151 WeakPolarHBondContact O-CB 3.44Å; G746-A1151 PolarHBondContact O-N 3.4Å; G746-A1151 VanDerWaalsContact O-N 3.14Å; A1151-D1153 VanDerWaalsContact C-N 3.31Å
1152	T	36	Very low	40.7	Very low	131 Å²	131	107.3 Å²	107.3	80%	0.804	57%	0.566	S	S	*	*	S	Bend	trans	-85.2	-2.9	161.8	42.6	0	0	0	0	113.1	E1150	E1150-T1152 PolarHBondContact O-N 3.5Å; E1150-T1152 VanDerWaalsContact O-N 3.17Å
1153	D	34.7	Very low	38.5	Very low	121 Å²	121	109.9 Å²	109.9	65%	0.647	59%	0.589	S	S	*	*			trans	-113.8	60.5	-179.5	-66.7	-34.7	0	0	0	112.3	A1151 F1155	A1151-D1153 VanDerWaalsContact C-N 3.31Å; D1153-F1155 VanDerWaalsContact C-N 3.27Å; D1153-F1155 PolarHBondContact O-N 3.4Å
1154	A	38.4	Very low	36.5	Very low	72 Å²	72	116.2 Å²	116.2	60%	0.595	63%	0.627	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.4	6.4	-175.1	0	0	0	0	0	115.8
1155	F	32.5	Very low	34.9	Very low	195 Å²	195	115.7 Å²	115.7	86%	0.855	63%	0.632	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.6	-9.8	-174.5	-112.9	-82.9	0	0	0	116.3	D1153	D1153-F1155 VanDerWaalsContact C-N 3.27Å; D1153-F1155 PolarHBondContact O-N 3.4Å
1156	S	32.6	Very low	33.8	Very low	78 Å²	78	116.1 Å²	116.1	55%	0.545	64%	0.637	S	S	.	*	S	Bend	trans	-103.5	-10.5	-177.5	63.8	0	0	0	0	115.4
1157	L	31.3	Very low	32.6	Very low	51 Å²	51	120.7 Å²	120.7	27%	0.267	66%	0.664	S	S	.	*	S	Bend	trans	-96.8	-26	-170.7	-92.3	149.2	0	0	0	116	M748 K1159 R1160 Q1161	M748-L1157 HydrophobicContact CE-CD1 3.33Å; M748-L1157 HydrophobicContact CE-CD2 3.75Å; M748-L1157 HydrophobicContact CE-CG 4.19Å; L1157-K1159 PolarHBondContact O-N 3.49Å; L1157-R1160 PolarHBondContact O-N 2.76Å; L1157-Q1161 PolarHBondContact O-N 3.42Å
1158	V	29.3	Very low	31.7	Very low	133 Å²	133	120.3 Å²	120.3	81%	0.806	67%	0.669	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62	-20.5	178.6	179.8	0	0	0	0	111.9
1159	K	31.2	Very low	31	Very low	206 Å²	206	118 Å²	118	90%	0.896	68%	0.676	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86	-14.7	173.7	-92	-174.7	175.9	179.9	0	115.7	L1157	L1157-K1159 PolarHBondContact O-N 3.49Å
1160	R	33.9	Very low	30.3	Very low	185 Å²	185	125.2 Å²	125.2	70%	0.698	70%	0.702	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.5	-13.6	-173.9	-74.5	-171.1	-179	172.2	5	115.2	Y323 L1157	Y323-R1160 PolarHBondContact OH-NH2 3.17Å; L1157-R1160 PolarHBondContact O-N 2.76Å
1161	Q	27.6	Very low	30.1	Very low	120 Å²	120	126.5 Å²	126.5	56%	0.561	71%	0.714	S	S	*	*			trans	-128.3	65	173.6	-72.1	-171.8	-18.2	0	0	111.1	L1157 S1163	L1157-Q1161 PolarHBondContact O-N 3.42Å; Q1161-S1163 PolarHBondContact O-N 3.44Å
1162	G	26.9	Very low	29.7	Very low	77 Å²	77	126.9 Å²	126.9	79%	0.794	72%	0.722	S	S	*	*			trans	-91.3	73.7	171.1	0	0	0	0	0	111.7
1163	S	26.5	Very low	29.7	Very low	84 Å²	84	128.4 Å²	128.4	59%	0.587	72%	0.72	S	S	*	*			trans	-149.9	55.6	160.5	72.6	0	0	0	0	112.2	Q1161	Q1161-S1163 PolarHBondContact O-N 3.44Å
1164	V	24.9	Very low	30.3	Very low	134 Å²	134	128.2 Å²	128.2	81%	0.812	72%	0.723	S	S	*	*	S	Bend	trans	-140.4	125.5	153.4	-175.6	0	0	0	0	106.7	P1166	V1164-P1166 WeakPolarHBondContact O-CD 3.47Å
1165	S	22.3	Very low	30.7	Very low	98 Å²	98	130.5 Å²	130.5	69%	0.685	72%	0.722	S	S	*	*			trans	-58.4	126.5	-176.7	49.7	0	0	0	0	113.1
1166	P	25.7	Very low	31.2	Very low	130 Å²	130	126.9 Å²	126.9	84%	0.844	71%	0.711	S	S	*	*			trans	-96.6	97.7	159.2	29.7	-17.4	0	0	0	108.7	V1164	V1164-P1166 WeakPolarHBondContact O-CD 3.47Å
1167	T	24.2	Very low	32.2	Very low	118 Å²	118	128.6 Å²	128.6	72%	0.724	71%	0.713	S	S	*	*			trans	-71.2	123.4	164.6	27.5	0	0	0	0	109.5
1168	F	23.6	Very low	33.2	Very low	205 Å²	205	133.1 Å²	133.1	90%	0.899	73%	0.728	S	S	*	*			trans	49.2	87.5	159.1	-72.6	-88.5	0	0	0	118.2
1169	A	27.2	Very low	34.5	Very low	94 Å²	94	134.5 Å²	134.5	78%	0.777	72%	0.719	S	S	*	*			trans	-131.1	121.9	150.2	0	0	0	0	0	109.3	N1171	A1169-N1171 PolarHBondContact O-N 3.35Å
1170	K	29.7	Very low	35.6	Very low	213 Å²	213	131 Å²	131	93%	0.926	71%	0.707	S	S	*	*			trans	-56.7	124.1	-174.2	-75.3	172.9	172.1	176.3	0	111.6	G1172	K1170-G1172 PolarHBondContact O-N 3.15Å
1171	N	32.5	Very low	36.9	Very low	165 Å²	165	128.2 Å²	128.2	88%	0.882	70%	0.702	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.5	123.9	169.6	-66.9	-27.9	0	0	0	110.8	A1169	A1169-N1171 PolarHBondContact O-N 3.35Å
1172	G	33.7	Very low	38.5	Very low	54 Å²	54	124.8 Å²	124.8	56%	0.557	69%	0.691	S	S	*	*	T	Hydrogen-bonded Turn	trans	169.6	-38.4	167.6	0	0	0	0	0	115.3	K1170	K1170-G1172 PolarHBondContact O-N 3.15Å
1173	E	35.8	Very low	40	Very low	163 Å²	163	126.3 Å²	126.3	76%	0.762	69%	0.685	S	S	*	*	H	α-helix	trans	-92.9	-28.6	-170.2	-71.7	-177	158.9	0	0	114.6	E1175 L1176 L1177	E1173-E1175 PolarHBondContact O-N 3.34Å; E1173-L1176 PolarHBondContact O-N 2.76Å; E1173-L1177 PolarHBondContact O-N 2.65Å
1174	T	47.1	Very low	41.3	Very low	117 Å²	117	131 Å²	131	72%	0.718	70%	0.695	S	S	*	*	H	α-helix	trans	-70.2	-32.5	-177	26.2	0	0	0	0	113.8	Y1178	T1174-Y1178 PolarHBondContact O-N 3.23Å
1175	E	45.6	Very low	42.9	Very low	121 Å²	121	133.5 Å²	133.5	57%	0.565	70%	0.695	S	S	*	*	H	α-helix	trans	-74	-30.7	179.3	-162.8	179.3	153.8	0	0	112.2	E1173 Y1178 R1179	E1173-E1175 PolarHBondContact O-N 3.34Å; E1175-Y1178 WeakPolarHBondContact O-CB 2.85Å; E1175-Y1178 PolarHBondContact O-N 2.66Å; E1175-R1179 PolarHBondContact OE1-NH2 3.34Å; E1175-R1179 VanDerWaalsContact O-N 3.13Å; E1175-R1179 IonicContact OE1-NH2 3.87Å; E1175-R1179 IonicContact OE1-CZ 3.76Å; E1175-R1179 PolarHBondContact O-N 3.14Å; E1175-R1179 IonicContact OE1-NE 2.9Å
1176	L	43	Very low	44.3	Very low	119 Å²	119	138.5 Å²	138.5	62%	0.623	71%	0.713	S	S	*	*	H	α-helix	trans	-74.6	-38.4	-179.7	-142.9	125.5	0	0	0	111.5	E1173 Y1178 R1179 M1180	E1173-L1176 PolarHBondContact O-N 2.76Å; L1176-Y1178 VanDerWaalsContact C-N 3.35Å; L1176-R1179 PolarHBondContact O-N 3.3Å; L1176-M1180 PolarHBondContact O-N 3.38Å
1177	L	54.7	Low	45.2	Very low	113 Å²	113	139 Å²	139	59%	0.592	71%	0.706	S	S	*	*	H	α-helix	trans	-61.2	-42.1	170	-92.7	153	0	0	0	111.7	E1173 R1179 M1180 E1181	E1173-L1177 PolarHBondContact O-N 2.65Å; L1177-R1179 VanDerWaalsContact C-N 3.35Å; L1177-R1179 PolarHBondContact O-N 3.11Å; L1177-M1180 PolarHBondContact O-N 3.42Å; L1177-E1181 WeakPolarHBondContact O-CB 3.17Å; L1177-E1181 PolarHBondContact O-N 3.01Å
1178	Y	51.5	Low	46.3	Very low	146 Å²	146	140.1 Å²	140.1	57%	0.573	71%	0.705	S	S	*	*	H	α-helix	trans	-59.5	-42.6	176.2	-175.8	-99.1	0	0	0	112.4	T1174 E1175 L1176 S1182	T1174-Y1178 PolarHBondContact O-N 3.23Å; E1175-Y1178 WeakPolarHBondContact O-CB 2.85Å; E1175-Y1178 PolarHBondContact O-N 2.66Å; L1176-Y1178 VanDerWaalsContact C-N 3.35Å; Y1178-S1182 VanDerWaalsContact O-N 3.13Å; Y1178-S1182 PolarHBondContact O-OG 3.4Å; Y1178-S1182 PolarHBondContact O-N 3.21Å; Y1178-S1182 WeakPolarHBondContact O-CB 3.29Å
1179	R	57.3	Low	47.6	Very low	163 Å²	163	136.4 Å²	136.4	62%	0.615	69%	0.694	S	S	*	*	H	α-helix	trans	-68.4	-40.1	176.8	-69.7	-174.1	-170.2	-167.7	6.5	112.4	E1175 L1176 L1177 V1183	E1175-R1179 PolarHBondContact OE1-NH2 3.34Å; E1175-R1179 VanDerWaalsContact O-N 3.13Å; E1175-R1179 IonicContact OE1-NH2 3.87Å; E1175-R1179 IonicContact OE1-CZ 3.76Å; E1175-R1179 PolarHBondContact O-N 3.14Å; E1175-R1179 IonicContact OE1-NE 2.9Å; L1176-R1179 PolarHBondContact O-N 3.3Å; L1177-R1179 VanDerWaalsContact C-N 3.35Å; L1177-R1179 PolarHBondContact O-N 3.11Å; R1179-V1183 WeakPolarHBondContact O-CG2 3.43Å; R1179-V1183 PolarHBondContact O-N 3.38Å
1180	M	53.6	Low	48.7	Very low	132 Å²	132	138.9 Å²	138.9	65%	0.65	69%	0.689	S	S	*	*	H	α-helix	trans	-65.9	-37.9	177.9	-73.6	-172	80.8	0	0	112.5	L1176 L1177 V1183 K1184	L1176-M1180 PolarHBondContact O-N 3.38Å; L1177-M1180 PolarHBondContact O-N 3.42Å; M1180-V1183 PolarHBondContact O-N 3.3Å; M1180-K1184 PolarHBondContact O-N 3.04Å
1181	E	60.9	Low	49.9	Very low	126 Å²	126	134.3 Å²	134.3	59%	0.589	68%	0.675	S	S	*	*	H	α-helix	trans	-76.6	-30.3	-178.2	-154.7	161.5	-152.7	0	0	112.5	L1177 K1184 K1185	L1177-E1181 WeakPolarHBondContact O-CB 3.17Å; L1177-E1181 PolarHBondContact O-N 3.01Å; E1181-K1184 PolarHBondContact O-N 3.41Å; E1181-K1185 PolarHBondContact O-N 3.29Å
1182	S	62.1	Low	51.1	Low	48 Å²	48	132.3 Å²	132.3	34%	0.336	66%	0.661	S	S	.	*	H	α-helix	trans	-63.7	-41.8	171.5	-54.8	0	0	0	0	112.1	Y1178 K1184 K1185 L1186	Y1178-S1182 VanDerWaalsContact O-N 3.13Å; Y1178-S1182 PolarHBondContact O-OG 3.4Å; Y1178-S1182 PolarHBondContact O-N 3.21Å; Y1178-S1182 WeakPolarHBondContact O-CB 3.29Å; S1182-K1184 VanDerWaalsContact C-N 3.26Å; S1182-K1184 PolarHBondContact O-N 2.87Å; S1182-K1185 PolarHBondContact O-N 3.35Å; S1182-L1186 PolarHBondContact O-N 3.37Å
1183	V	57.9	Low	52.3	Low	109 Å²	109	137.9 Å²	137.9	66%	0.661	67%	0.668	S	S	*	*	H	α-helix	trans	-71.1	-21.7	176.8	174.3	0	0	0	0	112.2	R1179 M1180 L1186	R1179-V1183 WeakPolarHBondContact O-CG2 3.43Å; R1179-V1183 PolarHBondContact O-N 3.38Å; M1180-V1183 PolarHBondContact O-N 3.3Å; V1183-L1186 VanDerWaalsContact O-OXT 3.13Å
1184	K	54.5	Low	53.6	Low	183 Å²	183	135.9 Å²	135.9	80%	0.796	66%	0.661	S	S	*	*	H	α-helix	trans	-84.6	-20.2	177.8	-141.2	-179.3	-174.6	-177.7	0	113.5	M1180 E1181 S1182	M1180-K1184 PolarHBondContact O-N 3.04Å; E1181-K1184 PolarHBondContact O-N 3.41Å; S1182-K1184 VanDerWaalsContact C-N 3.26Å; S1182-K1184 PolarHBondContact O-N 2.87Å
1185	K	58.6	Low	54.2	Low	187 Å²	187	137.5 Å²	137.5	81%	0.813	66%	0.656	S	S	*	*	H	α-helix	trans	-91	-28.8	178.1	-83.5	-176.2	176.9	175.8	0	113.3	E1181 S1182	E1181-K1185 PolarHBondContact O-N 3.29Å; S1182-K1185 PolarHBondContact O-N 3.35Å
1186	L	50.5	Low	54.9	Low	203 Å²	203	139 Å²	139	100%	1.063	66%	0.664	S	S	*	*			trans	-71.1	0	161.8	-105.7	148.8	0	0	0	109.2	S1182 V1183	S1182-L1186 PolarHBondContact O-N 3.37Å; V1183-L1186 VanDerWaalsContact O-OXT 3.13Å

Retrieved 1,186 of 1,186 residues in 993.6 ms (Link to these results)

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