A0A077ZKY8_TRITR Loading...

ArgK and ECH domain containing protein

GTPase, binds and hydrolyzes GTP. Involved in intracellular vitamin B12 metabolism, mediates the transport of cobalamin (Cbl) into mitochondria for the final steps of adenosylcobalamin (AdoCbl) synthesis. Functions as a G-protein chaperone that assists AdoCbl cofactor delivery from MMAB to the methylmalonyl-CoA mutase (MMUT). Plays a dual role as both a protectase and a reactivase for MMUT. Protects MMUT from progressive inactivation by oxidation by decreasing the rate of the formation of the oxidized inactive cofactor hydroxocobalamin (OH2Cbl). Additionally acts a reactivase by promoting the replacement of OH2Cbl by the active cofactor AdoCbl, restoring the activity of MMUT in the presence and hydrolysis of GTP.

AlphaFold DB , UniProt , Accession A0A077ZKY8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 504 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	85.9	Confident	80.5	Confident	53 Å²	53	81.5 Å²	81.5	26%	0.261	39%	0.389	S	S	.	.				0	-64.2	0	-66	-168.6	176.7	0	0	112.7	L3 V4 E5 F93 R95 L113 L116 C117	M1-L3 PolarHBondContact O-N 2.91Å; M1-L3 VanDerWaalsContact O-N 3.12Å; M1-V4 WeakPolarHBondContact O-CB 3.45Å; M1-V4 PolarHBondContact O-N 3.27Å; M1-E5 PolarHBondContact O-N 2.88Å; M1-F93 HydrophobicContact CE-CD1 4.09Å; M1-F93 HydrophobicContact CE-CE1 3.45Å; M1-F93 VanDerWaalsContact CE-CE1 3.45Å; M1-F93 HydrophobicContact CE-CZ 4.07Å; M1-F93 HydrophobicContact SD-CD1 4.32Å; M1-F93 HydrophobicContact SD-CE1 3.18Å; M1-F93 WeakPolarHBondContact SD-CE1 3.45Å; M1-F93 HydrophobicContact SD-CZ 3.3Å; M1-F93 WeakPolarHBondContact SD-CZ 3.46Å; M1-R95 HydrophobicContact SD-CG 4.36Å; M1-L113 HydrophobicContact CB-CD2 3.67Å; M1-L113 HydrophobicContact CG-CD2 3.56Å; M1-L113 HydrophobicContact SD-CD2 3.93Å; M1-L116 HydrophobicContact CB-CD1 4.44Å; M1-L116 HydrophobicContact CE-CB 4.23Å; M1-L116 HydrophobicContact CG-CB 4.45Å; M1-L116 HydrophobicContact CG-CD1 3.8Å; M1-C117 WeakPolarHBondContact CE-SG 3.47Å
2	T	84.6	Confident	80.2	Confident	98 Å²	98	81.3 Å²	81.3	60%	0.601	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.5	-33.3	-178.1	-47.4	0	0	0	0	114.1	E5 S6 R95	T2-E5 CarbonylContact O-C 3.58Å; T2-E5 PolarHBondContact O-N 3.17Å; T2-S6 PolarHBondContact O-N 3.38Å; T2-S6 VanDerWaalsContact O-N 3.12Å; T2-R95 PolarHBondContact OG1-NH2 3.33Å
3	L	88	Confident	80.1	Confident	45 Å²	45	79.5 Å²	79.5	24%	0.236	40%	0.395	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-50.6	172.9	-179.3	71.1	0	0	0	112.1	M1 E5 S6 H11 L14 L18	M1-L3 PolarHBondContact O-N 2.91Å; M1-L3 VanDerWaalsContact O-N 3.12Å; L3-E5 VanDerWaalsContact C-N 3.27Å; L3-E5 PolarHBondContact O-N 3Å; L3-S6 WeakPolarHBondContact O-CB 3.22Å; L3-S6 PolarHBondContact O-N 3.35Å; L3-H11 HydrophobicContact CD1-CB 3.7Å; L3-L14 HydrophobicContact CD1-CB 4.41Å; L3-L14 HydrophobicContact CD1-CD2 3.94Å; L3-L14 HydrophobicContact CD2-CB 4.17Å; L3-L14 HydrophobicContact CD2-CD2 3.68Å; L3-L14 HydrophobicContact CD2-CG 3.77Å; L3-L14 HydrophobicContact CG-CD2 4.46Å; L3-L18 HydrophobicContact CD2-CD2 4.25Å
4	V	85	Confident	80.7	Confident	2 Å²	2	80.1 Å²	80.1	1%	0.012	40%	0.399	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-34	178.3	178	0	0	0	0	111.4	M1 S6 S15 L18 L19 R109 E112 L116	M1-V4 WeakPolarHBondContact O-CB 3.45Å; M1-V4 PolarHBondContact O-N 3.27Å; V4-S6 PolarHBondContact O-N 3.07Å; V4-S15 WeakPolarHBondContact CA-OG 3.48Å; V4-S15 WeakPolarHBondContact CG2-OG 3.34Å; V4-L18 HydrophobicContact CG2-CD2 4.27Å; V4-L19 HydrophobicContact CG1-CD1 4.36Å; V4-R109 PolarHBondContact O-NH2 3.24Å; V4-E112 HydrophobicContact CG1-CB 3.72Å; V4-E112 HydrophobicContact CG1-CG 4.38Å; V4-E112 VanDerWaalsContact CG1-OE2 3.26Å; V4-E112 WeakPolarHBondContact CG1-OE2 3.34Å; V4-L116 HydrophobicContact CB-CD1 4.23Å; V4-L116 HydrophobicContact CG2-CD1 3.75Å
5	E	80	Confident	81.2	Confident	26 Å²	26	74.9 Å²	74.9	12%	0.121	37%	0.374	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-5.7	172.7	-67.4	168.1	179.3	0	0	113.6	M1 T2 L3 R95 R109 L113	M1-E5 PolarHBondContact O-N 2.88Å; T2-E5 CarbonylContact O-C 3.58Å; T2-E5 PolarHBondContact O-N 3.17Å; L3-E5 VanDerWaalsContact C-N 3.27Å; L3-E5 PolarHBondContact O-N 3Å; E5-R95 IonicContact OE1-CZ 3.19Å; E5-R95 IonicContact OE1-NE 2.64Å; E5-R95 PolarHBondContact OE1-NE 3.1Å; E5-R95 IonicContact OE1-NH2 2.91Å; E5-R95 IonicContact OE2-CZ 3.97Å; E5-R95 IonicContact OE2-NE 3.88Å; E5-R95 PolarHBondContact OE2-NE 3.44Å; E5-R95 IonicContact OE2-NH2 3.84Å; E5-R95 PolarHBondContact OE2-NH2 3.29Å; E5-R109 VanDerWaalsContact CA-NH1 3.27Å; E5-R109 PolarHBondContact O-NH1 3.33Å; E5-R109 PolarHBondContact O-NH2 3.23Å; E5-L113 HydrophobicContact CG-CD2 4.25Å
6	S	79.8	Confident	81.3	Confident	28 Å²	28	74.9 Å²	74.9	20%	0.196	38%	0.379	C	S	.	.			trans	-76.3	147.9	-178.4	-161.7	0	0	0	0	111.6	T2 L3 V4 H8 H11 Q12 R109	T2-S6 PolarHBondContact O-N 3.38Å; T2-S6 VanDerWaalsContact O-N 3.12Å; L3-S6 WeakPolarHBondContact O-CB 3.22Å; L3-S6 PolarHBondContact O-N 3.35Å; V4-S6 PolarHBondContact O-N 3.07Å; S6-H8 PolarHBondContact OG-N 3.09Å; S6-H11 VanDerWaalsContact CB-ND1 3.3Å; S6-H11 WeakPolarHBondContact CB-ND1 3.3Å; S6-H11 PolarHBondContact OG-ND1 2.79Å; S6-Q12 PolarHBondContact O-NE2 3.24Å; S6-Q12 VanDerWaalsContact O-NE2 3.1Å; S6-R109 PolarHBondContact O-NH2 3.24Å; S6-R109 VanDerWaalsContact O-NH2 3.13Å
7	R	72.6	Confident	81.7	Confident	163 Å²	163	77.9 Å²	77.9	62%	0.615	39%	0.391	S	S	*	.			trans	-99.6	-3.1	171.4	-71.5	-178	165.1	-178.8	-10.1	113.1	S100	R7-S100 VanDerWaalsContact NH2-CB 3.33Å; R7-S100 PolarHBondContact NH2-O 3.47Å
8	H	74.3	Confident	82.3	Confident	94 Å²	94	77 Å²	77	44%	0.435	39%	0.388	S	S	.	.	S	Bend	trans	-69.9	130.9	-177.3	-169.7	-78.6	0	0	0	109.7	S6 R10 H11 Q12	S6-H8 PolarHBondContact OG-N 3.09Å; H8-R10 VanDerWaalsContact C-N 3.29Å; H8-R10 PolarHBondContact ND1-N 3.5Å; H8-R10 PolarHBondContact O-N 3.23Å; H8-R10 VanDerWaalsContact O-N 3.16Å; H8-H11 HydrophobicContact CB-CB 4.34Å; H8-H11 WeakPolarHBondContact O-CA 3.43Å; H8-H11 WeakPolarHBondContact O-CB 3.47Å; H8-H11 PolarHBondContact O-N 3.5Å; H8-Q12 PolarHBondContact O-N 3.22Å; H8-Q12 VanDerWaalsContact O-N 3.16Å
9	P	71.5	Confident	82.7	Confident	103 Å²	103	73.6 Å²	73.6	67%	0.669	37%	0.371	S	S	*	.	H	α-helix	trans	-53.9	-41.5	-173.9	-28.4	34	0	0	0	114	H11 Q12 A13	P9-H11 VanDerWaalsContact C-N 3.25Å; P9-H11 PolarHBondContact O-N 3.14Å; P9-Q12 WeakPolarHBondContact O-CB 3.35Å; P9-Q12 PolarHBondContact O-N 3.17Å; P9-A13 PolarHBondContact O-N 3.03Å
10	R	78.3	Confident	82.9	Confident	209 Å²	209	75.4 Å²	75.4	79%	0.789	38%	0.381	S	S	*	.	H	α-helix	trans	-61.6	-31	175.7	-67.8	-175.5	177.8	168	-0.8	113.9	H8	H8-R10 VanDerWaalsContact C-N 3.29Å; H8-R10 PolarHBondContact ND1-N 3.5Å; H8-R10 PolarHBondContact O-N 3.23Å; H8-R10 VanDerWaalsContact O-N 3.16Å
11	H	86.1	Confident	83.5	Confident	75 Å²	75	74.8 Å²	74.8	35%	0.347	39%	0.388	S	S	.	.	H	α-helix	trans	-79.9	-28.5	178.8	-62.3	165.2	0	0	0	111.6	L3 S6 H8 P9 L14 S15	L3-H11 HydrophobicContact CD1-CB 3.7Å; S6-H11 VanDerWaalsContact CB-ND1 3.3Å; S6-H11 WeakPolarHBondContact CB-ND1 3.3Å; S6-H11 PolarHBondContact OG-ND1 2.79Å; H8-H11 HydrophobicContact CB-CB 4.34Å; H8-H11 WeakPolarHBondContact O-CA 3.43Å; H8-H11 WeakPolarHBondContact O-CB 3.47Å; H8-H11 PolarHBondContact O-N 3.5Å; P9-H11 VanDerWaalsContact C-N 3.25Å; P9-H11 PolarHBondContact O-N 3.14Å; H11-L14 PolarHBondContact O-N 3.27Å; H11-S15 WeakPolarHBondContact O-CB 3.28Å; H11-S15 PolarHBondContact O-N 2.94Å
12	Q	77.1	Confident	83.9	Confident	79 Å²	79	73.2 Å²	73.2	37%	0.369	38%	0.381	S	S	.	.	H	α-helix	trans	-61.8	-49.6	176.8	-64.2	-66.5	7.9	0	0	111.2	S6 H8 P9 L14 S15 T16	S6-Q12 PolarHBondContact O-NE2 3.24Å; S6-Q12 VanDerWaalsContact O-NE2 3.1Å; H8-Q12 PolarHBondContact O-N 3.22Å; H8-Q12 VanDerWaalsContact O-N 3.16Å; P9-Q12 WeakPolarHBondContact O-CB 3.35Å; P9-Q12 PolarHBondContact O-N 3.17Å; Q12-L14 VanDerWaalsContact C-N 3.29Å; Q12-L14 PolarHBondContact O-N 2.97Å; Q12-S15 VanDerWaalsContact O-CB 3.31Å; Q12-S15 WeakPolarHBondContact O-CB 3.36Å; Q12-S15 PolarHBondContact O-N 3.15Å; Q12-S15 VanDerWaalsContact O-N 3.09Å; Q12-T16 PolarHBondContact O-N 3Å; Q12-T16 PolarHBondContact O-OG1 3Å
13	A	78.2	Confident	84.1	Confident	58 Å²	58	72.3 Å²	72.3	48%	0.479	37%	0.371	S	S	.	.	H	α-helix	trans	-58.1	-41.5	177.2	0	0	0	0	0	112.6	P9 Q17	P9-A13 PolarHBondContact O-N 3.03Å; A13-Q17 WeakPolarHBondContact O-CG 3.46Å; A13-Q17 PolarHBondContact O-N 3.48Å
14	L	88.8	Confident	84.3	Confident	88 Å²	88	75.2 Å²	75.2	46%	0.461	39%	0.392	S	S	.	.	H	α-helix	trans	-72.3	-32.9	177.7	-166.5	68.7	0	0	0	112.3	L3 H11 Q12 Q17 L18	L3-L14 HydrophobicContact CD1-CB 4.41Å; L3-L14 HydrophobicContact CD1-CD2 3.94Å; L3-L14 HydrophobicContact CD2-CB 4.17Å; L3-L14 HydrophobicContact CD2-CD2 3.68Å; L3-L14 HydrophobicContact CD2-CG 3.77Å; L3-L14 HydrophobicContact CG-CD2 4.46Å; H11-L14 PolarHBondContact O-N 3.27Å; Q12-L14 VanDerWaalsContact C-N 3.29Å; Q12-L14 PolarHBondContact O-N 2.97Å; L14-Q17 PolarHBondContact O-N 3.31Å; L14-L18 WeakPolarHBondContact O-CB 3.29Å; L14-L18 PolarHBondContact O-N 3.33Å
15	S	87.4	Confident	84.7	Confident	3 Å²	3	83 Å²	83	2%	0.021	42%	0.422	C	S	.	.	H	α-helix	trans	-61.1	-49.6	174.7	177.2	0	0	0	0	110.7	V4 H11 Q12 Q17 L18 L19	V4-S15 WeakPolarHBondContact CA-OG 3.48Å; V4-S15 WeakPolarHBondContact CG2-OG 3.34Å; H11-S15 WeakPolarHBondContact O-CB 3.28Å; H11-S15 PolarHBondContact O-N 2.94Å; Q12-S15 VanDerWaalsContact O-CB 3.31Å; Q12-S15 WeakPolarHBondContact O-CB 3.36Å; Q12-S15 PolarHBondContact O-N 3.15Å; Q12-S15 VanDerWaalsContact O-N 3.09Å; S15-Q17 PolarHBondContact O-N 3.36Å; S15-L18 WeakPolarHBondContact O-CB 3.26Å; S15-L18 PolarHBondContact O-N 3.39Å; S15-L19 WeakPolarHBondContact O-CG 3.36Å; S15-L19 PolarHBondContact O-N 2.96Å
16	T	83	Confident	85.2	Confident	74 Å²	74	82.9 Å²	82.9	45%	0.454	42%	0.424	S	S	.	.	H	α-helix	trans	-58.8	-47	177.6	-51.1	0	0	0	0	111.2	Q12 L18 L19 D20	Q12-T16 PolarHBondContact O-N 3Å; Q12-T16 PolarHBondContact O-OG1 3Å; T16-L18 VanDerWaalsContact C-N 3.32Å; T16-L18 PolarHBondContact O-N 3.49Å; T16-L19 PolarHBondContact O-N 2.68Å; T16-D20 PolarHBondContact O-N 3.49Å
17	Q	88.5	Confident	85.5	Confident	126 Å²	126	82.6 Å²	82.6	59%	0.589	43%	0.426	S	S	*	.	H	α-helix	trans	-59.6	-40.8	176.5	-71.4	174.9	6.6	0	0	112.8	A13 L14 S15 A21	A13-Q17 WeakPolarHBondContact O-CG 3.46Å; A13-Q17 PolarHBondContact O-N 3.48Å; L14-Q17 PolarHBondContact O-N 3.31Å; S15-Q17 PolarHBondContact O-N 3.36Å; Q17-A21 WeakPolarHBondContact O-CB 3.11Å; Q17-A21 PolarHBondContact O-N 3.33Å
18	L	93	Very high	86.3	Confident	62 Å²	62	82.2 Å²	82.2	33%	0.325	44%	0.436	S	S	.	.	H	α-helix	trans	-65.1	-46.5	176.3	175.1	64	0	0	0	111.1	L3 V4 L14 S15 T16 D20 A21 I22 L116	L3-L18 HydrophobicContact CD2-CD2 4.25Å; V4-L18 HydrophobicContact CG2-CD2 4.27Å; L14-L18 WeakPolarHBondContact O-CB 3.29Å; L14-L18 PolarHBondContact O-N 3.33Å; S15-L18 WeakPolarHBondContact O-CB 3.26Å; S15-L18 PolarHBondContact O-N 3.39Å; T16-L18 VanDerWaalsContact C-N 3.32Å; T16-L18 PolarHBondContact O-N 3.49Å; L18-D20 VanDerWaalsContact C-N 3.33Å; L18-D20 PolarHBondContact O-N 3.42Å; L18-A21 PolarHBondContact O-N 3.4Å; L18-I22 HydrophobicContact CD1-CG2 4.11Å; L18-I22 WeakPolarHBondContact O-CG2 3.43Å; L18-I22 PolarHBondContact O-N 3.21Å; L18-I22 VanDerWaalsContact O-N 3.09Å; L18-L116 HydrophobicContact CD2-CD2 4.11Å; L18-L116 HydrophobicContact CG-CD2 4.41Å
19	L	89	Confident	87.3	Confident	12 Å²	12	78 Å²	78	6%	0.063	42%	0.417	C	S	.	.	H	α-helix	trans	-60.7	-42.7	179.7	-72.4	172.3	0	0	0	111.3	V4 S15 T16 A21 I22 M23 E112 L116	V4-L19 HydrophobicContact CG1-CD1 4.36Å; S15-L19 WeakPolarHBondContact O-CG 3.36Å; S15-L19 PolarHBondContact O-N 2.96Å; T16-L19 PolarHBondContact O-N 2.68Å; L19-A21 PolarHBondContact O-N 3.09Å; L19-I22 HydrophobicContact CD2-CD1 4.05Å; L19-I22 WeakPolarHBondContact O-CG1 3.43Å; L19-I22 PolarHBondContact O-N 2.87Å; L19-M23 WeakPolarHBondContact O-CG 3.49Å; L19-M23 PolarHBondContact O-N 3.2Å; L19-E112 HydrophobicContact CD1-CB 4.28Å; L19-E112 HydrophobicContact CD1-CG 3.88Å; L19-E112 HydrophobicContact CD2-CB 4.16Å; L19-L116 HydrophobicContact CD2-CG 4.49Å
20	D	88	Confident	88.5	Confident	109 Å²	109	73.3 Å²	73.3	58%	0.583	39%	0.386	S	S	*	.	H	α-helix	trans	-62.3	-43.5	174.8	-75	-18.9	0	0	0	112.1	T16 L18 I22 M23	T16-D20 PolarHBondContact O-N 3.49Å; L18-D20 VanDerWaalsContact C-N 3.33Å; L18-D20 PolarHBondContact O-N 3.42Å; D20-I22 VanDerWaalsContact C-N 3.27Å; D20-I22 PolarHBondContact O-N 2.96Å; D20-M23 PolarHBondContact O-N 3.04Å
21	A	94	Very high	89.5	Confident	64 Å²	64	64 Å²	64	53%	0.529	35%	0.351	S	S	.	.	H	α-helix	trans	-66	-28.8	-178.3	0	0	0	0	0	113.3	Q17 L18 L19	Q17-A21 WeakPolarHBondContact O-CB 3.11Å; Q17-A21 PolarHBondContact O-N 3.33Å; L18-A21 PolarHBondContact O-N 3.4Å; L19-A21 PolarHBondContact O-N 3.09Å
22	I	94.5	Very high	90	Very high	20 Å²	20	60.4 Å²	60.4	10%	0.103	33%	0.334	C	S	.	.	H	α-helix	trans	-85.9	-16.9	179.7	66.3	170.1	0	0	0	113.5	L18 L19 D20 P24 Y25 C26 L115 L116 A119	L18-I22 HydrophobicContact CD1-CG2 4.11Å; L18-I22 WeakPolarHBondContact O-CG2 3.43Å; L18-I22 PolarHBondContact O-N 3.21Å; L18-I22 VanDerWaalsContact O-N 3.09Å; L19-I22 HydrophobicContact CD2-CD1 4.05Å; L19-I22 WeakPolarHBondContact O-CG1 3.43Å; L19-I22 PolarHBondContact O-N 2.87Å; D20-I22 VanDerWaalsContact C-N 3.27Å; D20-I22 PolarHBondContact O-N 2.96Å; I22-P24 VanDerWaalsContact C-N 3.31Å; I22-P24 VanDerWaalsContact O-N 3.13Å; I22-Y25 WeakPolarHBondContact O-CB 3.48Å; I22-Y25 PolarHBondContact O-N 2.8Å; I22-C26 PolarHBondContact O-SG 2.69Å; I22-C26 VanDerWaalsContact O-SG 3.42Å; I22-L115 HydrophobicContact CD1-CB 4.23Å; I22-L116 HydrophobicContact CD1-CD2 3.66Å; I22-L116 HydrophobicContact CD1-CG 4Å; I22-A119 HydrophobicContact CB-CB 3.67Å; I22-A119 HydrophobicContact CD1-CB 4.18Å; I22-A119 HydrophobicContact CG1-CB 4.38Å; I22-A119 HydrophobicContact CG2-CB 4.1Å
23	M	89.2	Confident	90.9	Very high	79 Å²	79	56.7 Å²	56.7	39%	0.389	32%	0.317	S	S	.	.	G	3₁₀ helix	trans	-50.3	-39.8	-174.3	-74.6	-51.6	-59.6	0	0	115	L19 D20 Y25 C26 L115	L19-M23 WeakPolarHBondContact O-CG 3.49Å; L19-M23 PolarHBondContact O-N 3.2Å; D20-M23 PolarHBondContact O-N 3.04Å; M23-Y25 PolarHBondContact O-N 2.9Å; M23-Y25 VanDerWaalsContact O-N 3.17Å; M23-C26 PolarHBondContact O-N 2.67Å; M23-L115 HydrophobicContact SD-CD1 4.18Å
24	P	92	Very high	91.6	Very high	106 Å²	106	53.9 Å²	53.9	69%	0.688	29%	0.294	S	S	*	.	G	3₁₀ helix	trans	-63.5	-18	177.3	-23.9	35.7	0	0	0	115	I22	I22-P24 VanDerWaalsContact C-N 3.31Å; I22-P24 VanDerWaalsContact O-N 3.13Å
25	Y	93.4	Very high	91.6	Very high	165 Å²	165	49.8 Å²	49.8	65%	0.647	27%	0.273	S	S	*	.	G	3₁₀ helix	trans	-98.9	-1.7	-178.3	-52.5	-81.8	0	0	0	112.7	I22 M23	I22-Y25 WeakPolarHBondContact O-CB 3.48Å; I22-Y25 PolarHBondContact O-N 2.8Å; M23-Y25 PolarHBondContact O-N 2.9Å; M23-Y25 VanDerWaalsContact O-N 3.17Å
26	C	91.4	Very high	91.4	Very high	23 Å²	23	49.8 Å²	49.8	16%	0.155	27%	0.273	C	S	.	.			trans	-90.3	162.2	-179.1	-61.6	0	0	0	0	112.2	I22 M23 L115 E118	I22-C26 PolarHBondContact O-SG 2.69Å; I22-C26 VanDerWaalsContact O-SG 3.42Å; M23-C26 PolarHBondContact O-N 2.67Å; C26-L115 HydrophobicContact CB-CD2 4.03Å; C26-L115 PolarHBondContact SG-O 2.67Å; C26-L115 VanDerWaalsContact SG-O 3.4Å; C26-E118 HydrophobicContact CB-CB 4.3Å; C26-E118 WeakPolarHBondContact CB-OE2 3.32Å
27	G	85.7	Confident	91	Very high	22 Å²	22	48.5 Å²	48.5	23%	0.227	27%	0.265	C	S	.	.	S	Bend	trans	101.4	-5.9	169	0	0	0	0	0	117.1	E118 R245	G27-E118 PolarHBondContact N-OE2 3.26Å; G27-R245 PolarHBondContact O-NH1 3.26Å
28	N	88.7	Confident	90.3	Very high	156 Å²	156	46.6 Å²	46.6	83%	0.834	26%	0.263	S	S	*	.			trans	-92.1	-5.1	178.1	-74.4	-18.5	0	0	0	114.6
29	T	95.8	Very high	89.6	Confident	5 Å²	5	46.1 Å²	46.1	3%	0.031	27%	0.274	C	S	.	.	S	Bend	trans	-85.8	147.5	-177.7	-56.6	0	0	0	0	111.7	E118 Y122 D123 V125 R245	T29-E118 HydrophobicContact CG2-CG 4.16Å; T29-E118 WeakPolarHBondContact OG1-CA 3.23Å; T29-E118 WeakPolarHBondContact OG1-CG 3.44Å; T29-Y122 WeakPolarHBondContact CB-O 3.31Å; T29-Y122 VanDerWaalsContact CG2-O 3.26Å; T29-Y122 WeakPolarHBondContact CG2-O 3.44Å; T29-Y122 PolarHBondContact OG1-O 2.78Å; T29-D123 WeakPolarHBondContact CA-O 3.32Å; T29-D123 WeakPolarHBondContact CG2-O 3.43Å; T29-V125 HydrophobicContact CG2-CB 4.06Å; T29-V125 HydrophobicContact CG2-CG2 3.57Å; T29-R245 PolarHBondContact O-NH2 2.74Å
30	L	97.4	Very high	89.4	Confident	4 Å²	4	45.6 Å²	45.6	2%	0.021	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	121.7	167.3	176.1	61.3	0	0	0	110.2	L32 D123 V124 V125 D144 W225 I228 K232	L30-L32 HydrophobicContact CD1-CD2 4.14Å; L30-L32 HydrophobicContact CD2-CD2 4.11Å; L30-L32 HydrophobicContact CD2-CG 4.49Å; L30-L32 HydrophobicContact CG-CD2 3.88Å; L30-L32 HydrophobicContact CG-CG 4.2Å; L30-D123 PolarHBondContact N-O 2.81Å; L30-V124 HydrophobicContact CB-CG2 4.43Å; L30-V124 WeakPolarHBondContact O-CA 3.42Å; L30-V125 PolarHBondContact O-N 3.01Å; L30-D144 HydrophobicContact CD1-CB 4.24Å; L30-W225 HydrophobicContact CD2-CH2 3.78Å; L30-W225 HydrophobicContact CD2-CZ3 3.69Å; L30-I228 HydrophobicContact CD2-CG2 3.8Å; L30-K232 HydrophobicContact CD1-CD 4.17Å
31	R	97.6	Very high	89.4	Confident	14 Å²	14	41.2 Å²	41.2	5%	0.053	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	118.3	-178.1	-54.3	169.4	177.8	170.8	-0.9	109.7	M114 E118 V125 V143 D144 C145	R31-M114 HydrophobicContact CB-SD 3.98Å; R31-M114 HydrophobicContact CG-CE 4.46Å; R31-M114 HydrophobicContact CG-SD 3.61Å; R31-E118 IonicContact CZ-OE1 3.26Å; R31-E118 IonicContact CZ-OE2 2.73Å; R31-E118 IonicContact NE-OE1 3.47Å; R31-E118 PolarHBondContact NE-OE1 3.41Å; R31-E118 VanDerWaalsContact NH2-CD 3.3Å; R31-E118 IonicContact NH2-OE1 3.96Å; R31-E118 PolarHBondContact NH2-OE1 2.96Å; R31-E118 IonicContact NH2-OE2 3.47Å; R31-E118 PolarHBondContact NH2-OE2 3.07Å; R31-V125 WeakPolarHBondContact CA-O 3.49Å; R31-V143 HydrophobicContact CB-CB 4.14Å; R31-V143 HydrophobicContact CB-CG1 4.37Å; R31-D144 WeakPolarHBondContact CB-OD2 3.44Å; R31-D144 PolarHBondContact N-OD2 3.49Å; R31-D144 WeakPolarHBondContact O-CB 3.14Å; R31-D144 PolarHBondContact O-N 2.77Å; R31-C145 PolarHBondContact O-N 2.86Å
32	L	97.8	Very high	89.2	Confident	0 Å²	0	39 Å²	39	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	135.3	179.2	-57.5	-178.7	0	0	0	109.9	L30 F49 V124 V125 I126 V127 C145 I228	L30-L32 HydrophobicContact CD1-CD2 4.14Å; L30-L32 HydrophobicContact CD2-CD2 4.11Å; L30-L32 HydrophobicContact CD2-CG 4.49Å; L30-L32 HydrophobicContact CG-CD2 3.88Å; L30-L32 HydrophobicContact CG-CG 4.2Å; L32-F49 HydrophobicContact CD1-CE1 3.71Å; L32-F49 HydrophobicContact CD1-CZ 4.09Å; L32-V124 HydrophobicContact CD1-CG1 3.73Å; L32-V124 HydrophobicContact CG-CG1 4.11Å; L32-V125 PolarHBondContact N-O 3.38Å; L32-I126 HydrophobicContact CB-CG1 4.26Å; L32-I126 HydrophobicContact CD1-CG1 4.34Å; L32-I126 CarbonylContact O-C 3.58Å; L32-I126 VanDerWaalsContact O-CA 3.31Å; L32-I126 WeakPolarHBondContact O-CA 3.38Å; L32-V127 PolarHBondContact O-N 3.46Å; L32-C145 WeakPolarHBondContact CA-O 3.5Å; L32-C145 HydrophobicContact CD2-CB 3.71Å; L32-I228 HydrophobicContact CD1-CD1 4.3Å; L32-I228 HydrophobicContact CD2-CG2 3.8Å
33	G	94.9	Very high	88.9	Confident	0 Å²	0	38.6 Å²	38.6	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	133	168.7	0	0	0	0	0	109	V127 C145 I147	G33-V127 CarbonylContact C-O 3.54Å; G33-V127 WeakPolarHBondContact CA-O 3.32Å; G33-C145 PolarHBondContact N-O 2.75Å; G33-I147 PolarHBondContact O-N 3.03Å
34	V	93.9	Very high	89	Confident	0 Å²	0	37.7 Å²	37.7	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	118	178	179.5	0	0	0	0	108.9	F45 L46 I126 V127 E128 T129 I147 L149	V34-F45 HydrophobicContact CG1-CD1 4.42Å; V34-F45 HydrophobicContact CG1-CE1 4.47Å; V34-L46 HydrophobicContact CB-CD2 4.2Å; V34-L46 HydrophobicContact CG1-CD2 4.22Å; V34-L46 HydrophobicContact CG2-CD2 4Å; V34-I126 HydrophobicContact CB-CG2 4.24Å; V34-I126 HydrophobicContact CG2-CG2 3.63Å; V34-V127 PolarHBondContact N-O 3.31Å; V34-E128 CarbonylContact O-C 3.52Å; V34-E128 VanDerWaalsContact O-CA 3.3Å; V34-E128 WeakPolarHBondContact O-CA 3.43Å; V34-T129 PolarHBondContact O-N 3.34Å; V34-I147 WeakPolarHBondContact CA-O 3.36Å; V34-I147 HydrophobicContact CG2-CB 4.31Å; V34-I147 HydrophobicContact CG2-CD1 4.22Å; V34-L149 HydrophobicContact CG1-CD1 3.59Å
35	T	89	Confident	89.1	Confident	2 Å²	2	32.6 Å²	32.6	1%	0.012	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	169.8	173	-172.1	0	0	0	0	110	T129 E136 F146 I147 L149 L165	T35-T129 VanDerWaalsContact CB-OG1 3.29Å; T35-T129 WeakPolarHBondContact CB-OG1 3.3Å; T35-T129 PolarHBondContact OG1-OG1 3.27Å; T35-T129 VanDerWaalsContact OG1-OG1 3.05Å; T35-E136 VanDerWaalsContact OG1-CG 3.32Å; T35-E136 WeakPolarHBondContact OG1-CG 3.47Å; T35-F146 HydrophobicContact CG2-CE1 3.5Å; T35-F146 HydrophobicContact CG2-CE2 4.41Å; T35-F146 HydrophobicContact CG2-CZ 3.43Å; T35-F146 VanDerWaalsContact CG2-CZ 3.43Å; T35-I147 PolarHBondContact N-O 2.98Å; T35-L149 WeakPolarHBondContact O-CB 3.05Å; T35-L149 PolarHBondContact O-N 3.18Å; T35-L165 HydrophobicContact CG2-CD1 4.17Å; T35-L165 HydrophobicContact CG2-CD2 4.14Å; T35-L165 HydrophobicContact CG2-CG 4.49Å
36	G	83.5	Confident	89.2	Confident	3 Å²	3	24.8 Å²	24.8	3%	0.031	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	164.9	154.1	175.2	0	0	0	0	0	110.5	K42 G131 L149	G36-K42 PolarHBondContact O-NZ 3.41Å; G36-G131 WeakPolarHBondContact O-CA 3.19Å; G36-L149 WeakPolarHBondContact CA-O 3.49Å
37	T	73.6	Confident	89.3	Confident	46 Å²	46	25.5 Å²	25.5	28%	0.282	17%	0.166	S	C	.	.			trans	-61.6	154.7	-178.6	51.5	0	0	0	0	111.8	G39 A40	T37-G39 PolarHBondContact O-N 2.83Å; T37-A40 WeakPolarHBondContact O-CB 3.41Å; T37-A40 PolarHBondContact O-N 3.39Å
38	P	73.6	Confident	89.8	Confident	86 Å²	86	24.9 Å²	24.9	56%	0.558	16%	0.159	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.1	130.8	170.7	-27	35.4	0	0	0	111	A40 V132	P38-A40 VanDerWaalsContact C-N 3.35Å; P38-V132 HydrophobicContact CG-CG1 4.18Å
39	G	78.8	Confident	90.3	Very high	53 Å²	53	17.5 Å²	17.5	55%	0.546	12%	0.119	S	C	.	.	T	Hydrogen-bonded Turn	trans	86.1	-3.5	-177.8	0	0	0	0	0	115.4	T37 G41 K176	T37-G39 PolarHBondContact O-N 2.83Å; G39-G41 PolarHBondContact O-N 3.19Å; G39-K176 VanDerWaalsContact O-CE 3.24Å; G39-K176 WeakPolarHBondContact O-CE 3.36Å; G39-K176 PolarHBondContact O-NZ 3.49Å
40	A	85.1	Confident	90.3	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	12%	0.118	C	C	.	.	S	Bend	trans	-64.9	-8.1	174.3	0	0	0	0	0	114.5	T37 P38 L149 I151 N175	T37-A40 WeakPolarHBondContact O-CB 3.41Å; T37-A40 PolarHBondContact O-N 3.39Å; P38-A40 VanDerWaalsContact C-N 3.35Å; A40-L149 HydrophobicContact CB-CB 4.36Å; A40-I151 HydrophobicContact CB-CG2 4.12Å; A40-N175 PolarHBondContact O-ND2 3.1Å
41	G	88.3	Confident	90.3	Very high	18 Å²	18	19 Å²	19	19%	0.186	13%	0.127	C	C	.	.			trans	83.2	26	-179.2	0	0	0	0	0	113.8	G39 S43 T44 F45	G39-G41 PolarHBondContact O-N 3.19Å; G41-S43 PolarHBondContact O-N 3.36Å; G41-T44 PolarHBondContact O-N 3.46Å; G41-F45 WeakPolarHBondContact O-CB 3.46Å; G41-F45 PolarHBondContact O-N 2.98Å
42	K	88.9	Confident	90.3	Very high	16 Å²	16	19.1 Å²	19.1	7%	0.07	13%	0.128	C	C	.	.	H	α-helix	trans	-50.3	-53.9	179	-75.6	-168.2	-57.7	-72.2	0	113.6	G36 T44 F45 L46 E128 T129 V130 L149	G36-K42 PolarHBondContact O-NZ 3.41Å; K42-T44 VanDerWaalsContact C-N 3.31Å; K42-T44 PolarHBondContact O-N 3.38Å; K42-F45 CarbonylContact O-C 3.58Å; K42-F45 WeakPolarHBondContact O-CA 3.49Å; K42-F45 WeakPolarHBondContact O-CB 3.25Å; K42-F45 PolarHBondContact O-N 3.28Å; K42-F45 VanDerWaalsContact O-N 3.09Å; K42-L46 WeakPolarHBondContact O-CG 3.13Å; K42-L46 PolarHBondContact O-N 2.65Å; K42-E128 WeakPolarHBondContact CB-OE1 3.3Å; K42-E128 HydrophobicContact CD-CG 4.27Å; K42-E128 WeakPolarHBondContact CE-OE1 3.33Å; K42-T129 WeakPolarHBondContact CE-O 3.16Å; K42-V130 PolarHBondContact NZ-O 2.94Å; K42-L149 HydrophobicContact CG-CB 4.45Å
43	S	88.6	Confident	90.3	Very high	13 Å²	13	19.1 Å²	19.1	9%	0.091	13%	0.128	C	C	.	.	H	α-helix	trans	-61.2	-41.1	-177.9	-42.7	0	0	0	0	112	G41 F45 L46 E47 M83	G41-S43 PolarHBondContact O-N 3.36Å; S43-F45 VanDerWaalsContact C-N 3.34Å; S43-F45 PolarHBondContact O-N 3.32Å; S43-L46 PolarHBondContact O-N 3.02Å; S43-E47 PolarHBondContact O-N 2.93Å; S43-M83 WeakPolarHBondContact O-CG 3.44Å
44	T	91.3	Very high	90.4	Very high	59 Å²	59	20.8 Å²	20.8	36%	0.362	14%	0.137	S	C	.	.	H	α-helix	trans	-64.4	-40.1	175.1	-48.3	0	0	0	0	111.5	G41 K42 A48 A215	G41-T44 PolarHBondContact O-N 3.46Å; K42-T44 VanDerWaalsContact C-N 3.31Å; K42-T44 PolarHBondContact O-N 3.38Å; T44-A48 WeakPolarHBondContact O-CB 3.23Å; T44-A48 PolarHBondContact O-N 3.33Å; T44-A215 HydrophobicContact CG2-CB 3.96Å
45	F	94.8	Very high	90.6	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-63.9	-47.3	174.8	171.6	-95.8	0	0	0	111.7	V34 G41 K42 S43 E47 A48 F49 L149 A215 I221 I224	V34-F45 HydrophobicContact CG1-CD1 4.42Å; V34-F45 HydrophobicContact CG1-CE1 4.47Å; G41-F45 WeakPolarHBondContact O-CB 3.46Å; G41-F45 PolarHBondContact O-N 2.98Å; K42-F45 CarbonylContact O-C 3.58Å; K42-F45 WeakPolarHBondContact O-CA 3.49Å; K42-F45 WeakPolarHBondContact O-CB 3.25Å; K42-F45 PolarHBondContact O-N 3.28Å; K42-F45 VanDerWaalsContact O-N 3.09Å; S43-F45 VanDerWaalsContact C-N 3.34Å; S43-F45 PolarHBondContact O-N 3.32Å; F45-E47 VanDerWaalsContact C-N 3.32Å; F45-E47 PolarHBondContact O-N 3.49Å; F45-A48 PolarHBondContact O-N 2.88Å; F45-F49 HydrophobicContact CE1-CB 4.26Å; F45-F49 HydrophobicContact CE1-CG 4.37Å; F45-F49 HydrophobicContact CE2-CB 4.44Å; F45-F49 HydrophobicContact CZ-CB 4.16Å; F45-F49 HydrophobicContact CZ-CD2 4.32Å; F45-F49 HydrophobicContact CZ-CG 4.12Å; F45-F49 WeakPolarHBondContact O-CB 3.39Å; F45-F49 PolarHBondContact O-N 3.28Å; F45-L149 HydrophobicContact CB-CD2 3.69Å; F45-L149 HydrophobicContact CD1-CD1 3.52Å; F45-L149 HydrophobicContact CD1-CD2 4.23Å; F45-L149 HydrophobicContact CD1-CG 4.47Å; F45-L149 HydrophobicContact CD2-CD1 4.48Å; F45-L149 HydrophobicContact CD2-CD2 4.31Å; F45-L149 HydrophobicContact CE1-CD1 3.76Å; F45-L149 HydrophobicContact CG-CD1 3.91Å; F45-L149 HydrophobicContact CG-CD2 3.81Å; F45-L149 HydrophobicContact CG-CG 4.42Å; F45-L149 HydrophobicContact CZ-CD1 4.35Å; F45-A215 HydrophobicContact CB-CB 3.96Å; F45-I221 HydrophobicContact CD2-CD1 3.94Å; F45-I221 HydrophobicContact CE2-CD1 3.99Å; F45-I224 HydrophobicContact CE2-CD1 3.77Å; F45-I224 HydrophobicContact CZ-CD1 4.44Å; F45-I224 HydrophobicContact CZ-CG2 4.24Å
46	L	94.7	Very high	90.9	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-63	-37.5	179.1	-70.6	175	0	0	0	112.2	V34 K42 S43 G50 V62 M83 I126 E128	V34-L46 HydrophobicContact CB-CD2 4.2Å; V34-L46 HydrophobicContact CG1-CD2 4.22Å; V34-L46 HydrophobicContact CG2-CD2 4Å; K42-L46 WeakPolarHBondContact O-CG 3.13Å; K42-L46 PolarHBondContact O-N 2.65Å; S43-L46 PolarHBondContact O-N 3.02Å; L46-G50 WeakPolarHBondContact O-CA 3.42Å; L46-G50 PolarHBondContact O-N 2.92Å; L46-V62 HydrophobicContact CD1-CG1 4.26Å; L46-M83 HydrophobicContact CB-SD 3.7Å; L46-M83 HydrophobicContact CD1-SD 4.41Å; L46-I126 HydrophobicContact CD2-CD1 4.2Å; L46-I126 HydrophobicContact CD2-CG2 3.65Å; L46-E128 HydrophobicContact CD1-CB 3.93Å; L46-E128 VanDerWaalsContact CD1-CD 3.46Å; L46-E128 HydrophobicContact CD1-CG 3.99Å; L46-E128 WeakPolarHBondContact CD1-OE2 3.34Å
47	E	94.1	Very high	91.6	Very high	38 Å²	38	37.6 Å²	37.6	18%	0.178	22%	0.224	C	C	.	.	H	α-helix	trans	-63.9	-51.9	172.6	176.4	161.4	74.6	0	0	111.7	S43 F45 F49 G50 M51 M83 N84 D85 L86	S43-E47 PolarHBondContact O-N 2.93Å; F45-E47 VanDerWaalsContact C-N 3.32Å; F45-E47 PolarHBondContact O-N 3.49Å; E47-F49 PolarHBondContact O-N 3.02Å; E47-G50 PolarHBondContact O-N 3.28Å; E47-M51 WeakPolarHBondContact O-CB 3.49Å; E47-M51 VanDerWaalsContact O-CG 3.23Å; E47-M51 WeakPolarHBondContact O-CG 3.39Å; E47-M51 PolarHBondContact O-N 3.39Å; E47-M83 HydrophobicContact CB-CB 4.26Å; E47-M83 HydrophobicContact CB-CG 4.09Å; E47-M83 WeakPolarHBondContact OE2-CA 3.42Å; E47-N84 PolarHBondContact OE2-N 3Å; E47-D85 HydrophobicContact CG-CB 4.36Å; E47-D85 PolarHBondContact OE2-N 2.96Å; E47-L86 HydrophobicContact CG-CB 4.45Å
48	A	96.2	Very high	92.8	Very high	10 Å²	10	37.4 Å²	37.4	8%	0.083	22%	0.221	C	C	.	.	H	α-helix	trans	-61.1	-45.5	179.9	0	0	0	0	0	111.9	T44 F45 L52 K218 I221	T44-A48 WeakPolarHBondContact O-CB 3.23Å; T44-A48 PolarHBondContact O-N 3.33Å; F45-A48 PolarHBondContact O-N 2.88Å; A48-L52 PolarHBondContact O-N 3.33Å; A48-K218 HydrophobicContact CB-CG 4.31Å; A48-I221 HydrophobicContact CB-CG1 4.43Å
49	F	97.7	Very high	93.9	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-68.4	-45.2	179.8	-173.9	-112.4	0	0	0	111.9	L32 F45 E47 M51 L52 L53 I126 I221 I224 W225 I228	L32-F49 HydrophobicContact CD1-CE1 3.71Å; L32-F49 HydrophobicContact CD1-CZ 4.09Å; F45-F49 HydrophobicContact CE1-CB 4.26Å; F45-F49 HydrophobicContact CE1-CG 4.37Å; F45-F49 HydrophobicContact CE2-CB 4.44Å; F45-F49 HydrophobicContact CZ-CB 4.16Å; F45-F49 HydrophobicContact CZ-CD2 4.32Å; F45-F49 HydrophobicContact CZ-CG 4.12Å; F45-F49 WeakPolarHBondContact O-CB 3.39Å; F45-F49 PolarHBondContact O-N 3.28Å; E47-F49 PolarHBondContact O-N 3.02Å; F49-M51 VanDerWaalsContact C-N 3.32Å; F49-M51 PolarHBondContact O-N 3.27Å; F49-L52 WeakPolarHBondContact O-CB 3.43Å; F49-L52 PolarHBondContact O-N 2.83Å; F49-L52 VanDerWaalsContact O-N 3.17Å; F49-L53 HydrophobicContact CD1-CD1 4.05Å; F49-L53 HydrophobicContact CE1-CD1 3.72Å; F49-L53 HydrophobicContact CE1-CG 4.32Å; F49-L53 HydrophobicContact CZ-CD1 4.19Å; F49-L53 HydrophobicContact CZ-CD2 4.25Å; F49-L53 HydrophobicContact CZ-CG 4.4Å; F49-L53 WeakPolarHBondContact O-CG 3.39Å; F49-L53 PolarHBondContact O-N 3.49Å; F49-I126 HydrophobicContact CD1-CD1 3.91Å; F49-I126 HydrophobicContact CE1-CD1 4.12Å; F49-I221 HydrophobicContact CB-CG2 4.12Å; F49-I221 HydrophobicContact CD2-CG2 3.8Å; F49-I221 HydrophobicContact CG-CG2 4.47Å; F49-I224 HydrophobicContact CE2-CG2 4.39Å; F49-W225 HydrophobicContact CE2-CB 4.01Å; F49-W225 HydrophobicContact CE2-CE3 4.18Å; F49-W225 AromaticContact CZ-CE3 3.8Å; F49-W225 HydrophobicContact CZ-CE3 3.8Å; F49-W225 HydrophobicContact CZ-CZ3 4.37Å; F49-I228 HydrophobicContact CE1-CD1 4.39Å; F49-I228 HydrophobicContact CE2-CD1 4.01Å; F49-I228 HydrophobicContact CZ-CD1 3.5Å; F49-I228 VanDerWaalsContact CZ-CD1 3.5Å
50	G	97	Very high	94.8	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-60.6	-40.8	175.5	0	0	0	0	0	112.5	L46 E47 L53 I54	L46-G50 WeakPolarHBondContact O-CA 3.42Å; L46-G50 PolarHBondContact O-N 2.92Å; E47-G50 PolarHBondContact O-N 3.28Å; G50-L53 PolarHBondContact O-N 2.95Å; G50-I54 VanDerWaalsContact O-CG1 3.31Å; G50-I54 WeakPolarHBondContact O-CG1 3.32Å; G50-I54 PolarHBondContact O-N 3Å
51	M	97.1	Very high	95.4	Very high	42 Å²	42	35.7 Å²	35.7	21%	0.207	19%	0.189	C	C	.	.	H	α-helix	trans	-68.5	-32.1	175.8	-70.5	-57.2	-62.5	0	0	113.1	E47 F49 I54 R55 D85 L86 A89	E47-M51 WeakPolarHBondContact O-CB 3.49Å; E47-M51 VanDerWaalsContact O-CG 3.23Å; E47-M51 WeakPolarHBondContact O-CG 3.39Å; E47-M51 PolarHBondContact O-N 3.39Å; F49-M51 VanDerWaalsContact C-N 3.32Å; F49-M51 PolarHBondContact O-N 3.27Å; M51-I54 HydrophobicContact SD-CD1 4.23Å; M51-R55 VanDerWaalsContact O-CG 3.29Å; M51-R55 WeakPolarHBondContact O-CG 3.31Å; M51-R55 PolarHBondContact O-N 3.49Å; M51-R55 VanDerWaalsContact O-N 3.15Å; M51-D85 HydrophobicContact CG-CB 4.3Å; M51-D85 HydrophobicContact SD-CB 4.26Å; M51-L86 HydrophobicContact SD-CD1 4.26Å; M51-A89 HydrophobicContact SD-CB 4.27Å
52	L	97.8	Very high	95.7	Very high	16 Å²	16	34.9 Å²	34.9	8%	0.084	18%	0.181	C	C	.	.	H	α-helix	trans	-61.8	-51.4	170.2	173.6	66.1	0	0	0	110.6	A48 F49 I54 R55 E56 I221 D222 W225	A48-L52 PolarHBondContact O-N 3.33Å; F49-L52 WeakPolarHBondContact O-CB 3.43Å; F49-L52 PolarHBondContact O-N 2.83Å; F49-L52 VanDerWaalsContact O-N 3.17Å; L52-I54 VanDerWaalsContact C-N 3.26Å; L52-I54 PolarHBondContact O-N 3.21Å; L52-R55 WeakPolarHBondContact O-CA 3.25Å; L52-R55 WeakPolarHBondContact O-CB 3.36Å; L52-R55 PolarHBondContact O-N 3.26Å; L52-E56 PolarHBondContact O-N 2.99Å; L52-I221 HydrophobicContact CB-CG2 4.33Å; L52-I221 HydrophobicContact CD2-CB 4.44Å; L52-I221 HydrophobicContact CD2-CG2 3.79Å; L52-D222 WeakPolarHBondContact CD1-OD1 3.47Å; L52-W225 HydrophobicContact CD2-CB 3.97Å
53	L	97.9	Very high	95.8	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-58.3	-38.7	-179.8	-65.1	176.7	0	0	0	112.3	F49 G50 R55 E56 G57 L58 V60 V124 W225	F49-L53 HydrophobicContact CD1-CD1 4.05Å; F49-L53 HydrophobicContact CE1-CD1 3.72Å; F49-L53 HydrophobicContact CE1-CG 4.32Å; F49-L53 HydrophobicContact CZ-CD1 4.19Å; F49-L53 HydrophobicContact CZ-CD2 4.25Å; F49-L53 HydrophobicContact CZ-CG 4.4Å; F49-L53 WeakPolarHBondContact O-CG 3.39Å; F49-L53 PolarHBondContact O-N 3.49Å; G50-L53 PolarHBondContact O-N 2.95Å; L53-R55 VanDerWaalsContact C-N 3.34Å; L53-R55 PolarHBondContact O-N 3.44Å; L53-E56 CarbonylContact O-C 3.52Å; L53-E56 WeakPolarHBondContact O-CB 3.3Å; L53-E56 PolarHBondContact O-N 2.94Å; L53-G57 PolarHBondContact O-N 2.97Å; L53-L58 HydrophobicContact CB-CB 4.4Å; L53-L58 HydrophobicContact CB-CD1 4.37Å; L53-L58 HydrophobicContact CD2-CD1 3.94Å; L53-L58 WeakPolarHBondContact O-CB 3.44Å; L53-L58 PolarHBondContact O-N 3.17Å; L53-V60 HydrophobicContact CB-CG2 3.51Å; L53-V60 HydrophobicContact CD1-CG1 4.36Å; L53-V60 HydrophobicContact CD1-CG2 3.68Å; L53-V60 HydrophobicContact CG-CG2 4.26Å; L53-V124 HydrophobicContact CD1-CB 4.16Å; L53-V124 HydrophobicContact CD1-CG1 3.98Å; L53-V124 HydrophobicContact CD1-CG2 4.16Å; L53-W225 HydrophobicContact CD2-CD2 3.59Å; L53-W225 HydrophobicContact CD2-CE3 3.59Å; L53-W225 HydrophobicContact CD2-CG 4.29Å; L53-W225 HydrophobicContact CD2-CH2 3.69Å; L53-W225 HydrophobicContact CD2-CZ2 3.69Å; L53-W225 HydrophobicContact CD2-CZ3 3.65Å
54	I	97.8	Very high	95.7	Very high	35 Å²	35	33.8 Å²	33.8	18%	0.179	18%	0.175	C	C	.	.	H	α-helix	trans	-66.3	-36.3	176.1	-68.3	166.6	0	0	0	111.7	G50 M51 L52 E56 G57 V60 L86 A89 A91 A92	G50-I54 VanDerWaalsContact O-CG1 3.31Å; G50-I54 WeakPolarHBondContact O-CG1 3.32Å; G50-I54 PolarHBondContact O-N 3Å; M51-I54 HydrophobicContact SD-CD1 4.23Å; L52-I54 VanDerWaalsContact C-N 3.26Å; L52-I54 PolarHBondContact O-N 3.21Å; I54-E56 VanDerWaalsContact C-N 3.27Å; I54-E56 PolarHBondContact O-N 3.21Å; I54-G57 WeakPolarHBondContact O-CA 3.36Å; I54-G57 PolarHBondContact O-N 2.87Å; I54-V60 HydrophobicContact CG1-CG2 4.34Å; I54-L86 HydrophobicContact CD1-CD1 3.66Å; I54-A89 HydrophobicContact CD1-CB 3.69Å; I54-A91 HydrophobicContact CD1-CB 4.42Å; I54-A91 HydrophobicContact CG1-CB 4.1Å; I54-A91 HydrophobicContact CG2-CB 4.13Å; I54-A92 HydrophobicContact CD1-CB 3.93Å
55	R	96.8	Very high	95	Very high	176 Å²	176	31.1 Å²	31.1	66%	0.664	16%	0.159	S	C	*	.	H	α-helix	trans	-65.7	-32.8	173.8	-71.4	167.4	-179.3	-172.4	-1.8	112	M51 L52 L53 G57	M51-R55 VanDerWaalsContact O-CG 3.29Å; M51-R55 WeakPolarHBondContact O-CG 3.31Å; M51-R55 PolarHBondContact O-N 3.49Å; M51-R55 VanDerWaalsContact O-N 3.15Å; L52-R55 WeakPolarHBondContact O-CA 3.25Å; L52-R55 WeakPolarHBondContact O-CB 3.36Å; L52-R55 PolarHBondContact O-N 3.26Å; L53-R55 VanDerWaalsContact C-N 3.34Å; L53-R55 PolarHBondContact O-N 3.44Å; R55-G57 PolarHBondContact O-N 3.21Å
56	E	96.4	Very high	93.7	Very high	117 Å²	117	33.5 Å²	33.5	55%	0.547	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.3	2.6	170.1	-64.6	-59	125.9	0	0	113.2	L52 L53 I54 L58	L52-E56 PolarHBondContact O-N 2.99Å; L53-E56 CarbonylContact O-C 3.52Å; L53-E56 WeakPolarHBondContact O-CB 3.3Å; L53-E56 PolarHBondContact O-N 2.94Å; I54-E56 VanDerWaalsContact C-N 3.27Å; I54-E56 PolarHBondContact O-N 3.21Å; E56-L58 HydrophobicContact CB-CD1 4.44Å; E56-L58 HydrophobicContact CB-CG 4.49Å
57	G	97.2	Very high	91.7	Very high	64 Å²	64	34.7 Å²	34.7	66%	0.66	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	84.2	13	176.2	0	0	0	0	0	114.8	L53 I54 R55	L53-G57 PolarHBondContact O-N 2.97Å; I54-G57 WeakPolarHBondContact O-CA 3.36Å; I54-G57 PolarHBondContact O-N 2.87Å; R55-G57 PolarHBondContact O-N 3.21Å
58	L	98	Very high	89.6	Confident	42 Å²	42	37.2 Å²	37.2	22%	0.22	20%	0.201	C	C	.	.			trans	-93	145.8	-177.4	-56.9	170.1	0	0	0	112.1	L53 E56 D123 V124 W225	L53-L58 HydrophobicContact CB-CB 4.4Å; L53-L58 HydrophobicContact CB-CD1 4.37Å; L53-L58 HydrophobicContact CD2-CD1 3.94Å; L53-L58 WeakPolarHBondContact O-CB 3.44Å; L53-L58 PolarHBondContact O-N 3.17Å; E56-L58 HydrophobicContact CB-CD1 4.44Å; E56-L58 HydrophobicContact CB-CG 4.49Å; L58-D123 HydrophobicContact CB-CB 4.11Å; L58-D123 HydrophobicContact CD2-CB 3.81Å; L58-V124 HydrophobicContact CD1-CG2 4.23Å; L58-W225 HydrophobicContact CD1-CH2 4.12Å; L58-W225 HydrophobicContact CD1-CZ2 3.64Å
59	K	98	Very high	87.2	Confident	103 Å²	103	37 Å²	37	45%	0.448	20%	0.199	S	C	.	.			trans	-86.9	130.5	167.5	-75.6	-178.6	172.2	-178.9	0	111	A91 Y122 D123 V124	K59-A91 WeakPolarHBondContact CA-O 3.34Å; K59-A91 HydrophobicContact CG-CB 4.23Å; K59-Y122 HydrophobicContact CB-CD1 3.91Å; K59-Y122 HydrophobicContact CB-CE1 4.41Å; K59-Y122 HydrophobicContact CB-CG 4.48Å; K59-D123 PolarHBondContact N-OD2 3.36Å; K59-D123 PolarHBondContact O-N 2.78Å; K59-V124 PolarHBondContact O-N 2.8Å; K59-V124 VanDerWaalsContact O-N 3.09Å
60	V	98	Very high	84.3	Confident	0 Å²	0	40.1 Å²	40.1	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	131.2	-173.8	-176.6	0	0	0	0	111.8	L53 I54 V62 A91 A92 F93 Y122 V124 I126	L53-V60 HydrophobicContact CB-CG2 3.51Å; L53-V60 HydrophobicContact CD1-CG1 4.36Å; L53-V60 HydrophobicContact CD1-CG2 3.68Å; L53-V60 HydrophobicContact CG-CG2 4.26Å; I54-V60 HydrophobicContact CG1-CG2 4.34Å; V60-V62 HydrophobicContact CG1-CG2 4.38Å; V60-A91 PolarHBondContact N-O 2.93Å; V60-A92 CarbonylContact O-C 3.59Å; V60-A92 VanDerWaalsContact O-CA 3.23Å; V60-A92 WeakPolarHBondContact O-CA 3.49Å; V60-F93 PolarHBondContact O-N 2.74Å; V60-Y122 WeakPolarHBondContact O-CE1 3.13Å; V60-V124 CarbonylContact C-O 3.6Å; V60-V124 WeakPolarHBondContact CA-O 3.43Å; V60-V124 HydrophobicContact CG2-CB 4.46Å; V60-I126 HydrophobicContact CG1-CD1 4.02Å; V60-I126 HydrophobicContact CG1-CG1 4.42Å
61	A	96.5	Very high	81.5	Confident	0 Å²	0	46.6 Å²	46.6	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	139.8	167.4	0	0	0	0	0	110.8	F93 C117 Y122 V124 V125 I126	A61-F93 CarbonylContact C-O 3.56Å; A61-F93 VanDerWaalsContact CA-O 3.25Å; A61-F93 WeakPolarHBondContact CA-O 3.4Å; A61-C117 HydrophobicContact CB-CB 4Å; A61-C117 VanDerWaalsContact CB-SG 3.54Å; A61-Y122 HydrophobicContact CB-CD1 3.77Å; A61-Y122 HydrophobicContact CB-CE1 4.14Å; A61-Y122 HydrophobicContact CB-CG 3.99Å; A61-V124 PolarHBondContact N-O 3.48Å; A61-V125 HydrophobicContact CB-CG2 4.11Å; A61-V125 CarbonylContact O-C 3.38Å; A61-V125 WeakPolarHBondContact O-CA 3.35Å; A61-I126 PolarHBondContact O-N 2.84Å
62	V	94.8	Very high	78.7	Confident	1 Å²	1	49.4 Å²	49.4	1%	0.006	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	122.4	175	-175.5	0	0	0	0	109.1	L46 V60 M83 L86 F93 I94 R95 I126	L46-V62 HydrophobicContact CD1-CG1 4.26Å; V60-V62 HydrophobicContact CG1-CG2 4.38Å; V62-M83 HydrophobicContact CG1-CE 4.43Å; V62-L86 HydrophobicContact CG2-CD2 3.9Å; V62-F93 PolarHBondContact N-O 2.98Å; V62-I94 HydrophobicContact CB-CG1 4.29Å; V62-I94 HydrophobicContact CB-CG2 4.39Å; V62-I94 CarbonylContact O-C 3.56Å; V62-I94 WeakPolarHBondContact O-CA 3.13Å; V62-R95 PolarHBondContact O-N 2.96Å; V62-I126 CarbonylContact C-O 3.57Å; V62-I126 WeakPolarHBondContact CA-O 3.38Å; V62-I126 HydrophobicContact CG2-CB 4.45Å; V62-I126 HydrophobicContact CG2-CD1 4.47Å
63	I	91.7	Very high	75.9	Confident	1 Å²	1	51.8 Å²	51.8	1%	0.005	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	107.9	179	-60	174.3	0	0	0	107.4	R95 V97 A110 L113 M114 V125 I126 V127 E128	I63-R95 WeakPolarHBondContact CA-O 3.19Å; I63-V97 HydrophobicContact CG2-CG2 3.24Å; I63-A110 HydrophobicContact CG2-CB 3.98Å; I63-L113 HydrophobicContact CD1-CB 3.86Å; I63-L113 HydrophobicContact CG2-CD1 4.45Å; I63-M114 HydrophobicContact CD1-CB 3.92Å; I63-V125 HydrophobicContact CD1-CG1 3.73Å; I63-V125 HydrophobicContact CG1-CG1 4.3Å; I63-I126 PolarHBondContact N-O 2.91Å; I63-V127 HydrophobicContact CB-CG2 4.47Å; I63-V127 CarbonylContact O-C 3.6Å; I63-V127 WeakPolarHBondContact O-CA 3.39Å; I63-E128 PolarHBondContact O-N 2.85Å
64	A	86	Confident	73.2	Confident	5 Å²	5	52.5 Å²	52.5	4%	0.041	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	114.4	-177.4	0	0	0	0	0	110.7	D79 R95 V97	A64-D79 WeakPolarHBondContact CB-OD2 3.39Å; A64-R95 PolarHBondContact N-O 3.28Å; A64-V97 PolarHBondContact O-N 2.8Å
65	V	77.1	Confident	70.3	Confident	3 Å²	3	53.5 Å²	53.5	2%	0.018	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	110.6	179.9	-175	0	0	0	0	109.3	V97 A106 A110 V127 E128 V130	V65-V97 HydrophobicContact CG2-CG2 4.27Å; V65-A106 HydrophobicContact CG1-CB 3.88Å; V65-A110 HydrophobicContact CG2-CB 3.58Å; V65-V127 HydrophobicContact CG2-CG1 3.74Å; V65-E128 WeakPolarHBondContact CB-O 3.31Å; V65-E128 PolarHBondContact N-O 2.71Å; V65-V130 WeakPolarHBondContact O-CG2 3.45Å
66	D	67.7	Low	67.6	Low	50 Å²	50	50.5 Å²	50.5	27%	0.267	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	108.8	175.8	-178.8	6.1	0	0	0	111.1	S68 S99 V130	D66-S68 VanDerWaalsContact CG-OG 3.31Å; D66-S68 PolarHBondContact O-N 2.93Å; D66-S68 WeakPolarHBondContact OD1-CB 3.5Å; D66-S68 PolarHBondContact OD1-N 2.92Å; D66-S68 PolarHBondContact OD1-OG 2.99Å; D66-S68 PolarHBondContact OD2-OG 3.29Å; D66-S99 VanDerWaalsContact O-CB 3.25Å; D66-S99 WeakPolarHBondContact O-CB 3.3Å; D66-V130 HydrophobicContact CB-CG2 4.04Å
67	P	52	Low	64.8	Low	26 Å²	26	51.2 Å²	51.2	17%	0.169	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-22.5	178.4	26.8	-31.4	0	0	0	112.9	S69 S99 L103	P67-S69 VanDerWaalsContact C-N 3.32Å; P67-S69 PolarHBondContact O-N 3.05Å; P67-S99 VanDerWaalsContact O-CB 3.25Å; P67-S99 WeakPolarHBondContact O-CB 3.19Å; P67-S99 PolarHBondContact O-OG 2.91Å; P67-L103 HydrophobicContact CB-CG 4.35Å
68	S	50	Low	62.3	Low	90 Å²	90	49.6 Å²	49.6	63%	0.629	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.1	3.4	-170.1	73.4	0	0	0	0	115.4	D66 P70	D66-S68 VanDerWaalsContact CG-OG 3.31Å; D66-S68 PolarHBondContact O-N 2.93Å; D66-S68 WeakPolarHBondContact OD1-CB 3.5Å; D66-S68 PolarHBondContact OD1-N 2.92Å; D66-S68 PolarHBondContact OD1-OG 2.99Å; D66-S68 PolarHBondContact OD2-OG 3.29Å; S68-P70 WeakPolarHBondContact O-CD 3.02Å
69	S	46.2	Very low	60.1	Low	5 Å²	5	49.7 Å²	49.7	4%	0.035	31%	0.311	C	S	.	.			trans	-94.6	33.7	-179.3	-167.7	0	0	0	0	117.3	P67 V71 T72 G74	P67-S69 VanDerWaalsContact C-N 3.32Å; P67-S69 PolarHBondContact O-N 3.05Å; S69-V71 PolarHBondContact O-N 3.27Å; S69-T72 PolarHBondContact OG-OG1 3.33Å; S69-G74 PolarHBondContact OG-N 3.03Å
70	P	37.5	Very low	57.9	Low	66 Å²	66	49.7 Å²	49.7	43%	0.429	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-22.4	170.6	-1.8	12.6	0	0	0	113	S68	S68-P70 WeakPolarHBondContact O-CD 3.02Å
71	V	37	Very low	55.6	Low	137 Å²	137	54 Å²	54	83%	0.83	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.8	-27	-173.4	-172.3	0	0	0	0	112.7	S69	S69-V71 PolarHBondContact O-N 3.27Å
72	T	38.8	Very low	54.2	Low	100 Å²	100	61.6 Å²	61.6	61%	0.613	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107	-4.1	-169.3	55.2	0	0	0	0	115.1	S69 G74	S69-T72 PolarHBondContact OG-OG1 3.33Å; T72-G74 VanDerWaalsContact C-N 3.29Å; T72-G74 PolarHBondContact O-N 3.17Å
73	G	38.5	Very low	53.5	Low	67 Å²	67	61.6 Å²	61.6	69%	0.691	37%	0.366	S	S	*	.	S	Bend	trans	68.9	24.3	175	0	0	0	0	0	114.6
74	G	40.9	Very low	53.2	Low	15 Å²	15	65.5 Å²	65.5	16%	0.155	39%	0.387	C	S	.	.			trans	90	107.5	-174.9	0	0	0	0	0	111.8	S69 T72 I76	S69-G74 PolarHBondContact OG-N 3.03Å; T72-G74 VanDerWaalsContact C-N 3.29Å; T72-G74 PolarHBondContact O-N 3.17Å; G74-I76 PolarHBondContact O-N 2.96Å
75	S	37.3	Very low	53.4	Low	55 Å²	55	69 Å²	69	39%	0.385	41%	0.406	S	S	.	.			trans	-69	93.2	168.2	156.9	0	0	0	0	109.2	L77 G78 P96	S75-L77 PolarHBondContact O-N 3.4Å; S75-G78 WeakPolarHBondContact OG-CA 3.49Å; S75-G78 PolarHBondContact OG-N 2.95Å; S75-P96 WeakPolarHBondContact O-CG 3.37Å
76	I	39.9	Very low	54	Low	114 Å²	114	69 Å²	69	59%	0.585	41%	0.405	S	S	*	.	S	Bend	trans	-63.3	-21.4	175.3	-68.5	173.7	0	0	0	112	G74	G74-I76 PolarHBondContact O-N 2.96Å
77	L	39	Very low	55	Low	132 Å²	132	68.9 Å²	68.9	69%	0.691	41%	0.411	S	S	*	.	S	Bend	trans	-112.6	-24.7	-167.2	-84.9	125.6	0	0	0	115.6	S75 D79	S75-L77 PolarHBondContact O-N 3.4Å; L77-D79 PolarHBondContact O-N 2.91Å
78	G	44.8	Very low	56.9	Low	30 Å²	30	77.2 Å²	77.2	31%	0.309	44%	0.439	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-34.6	-169.1	0	0	0	0	0	115.2	S75 T81	S75-G78 WeakPolarHBondContact OG-CA 3.49Å; S75-G78 PolarHBondContact OG-N 2.95Å; G78-T81 PolarHBondContact O-OG1 3.26Å
79	D	51.4	Low	59	Low	43 Å²	43	74 Å²	74	23%	0.23	42%	0.418	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.4	-25.7	-177.5	-80.9	-26.3	0	0	0	114.1	A64 L77 T81 R82 M83	A64-D79 WeakPolarHBondContact CB-OD2 3.39Å; L77-D79 PolarHBondContact O-N 2.91Å; D79-T81 PolarHBondContact O-N 3.28Å; D79-R82 PolarHBondContact O-N 3.29Å; D79-R82 VanDerWaalsContact O-N 3.09Å; D79-M83 HydrophobicContact CB-CE 4.47Å; D79-M83 PolarHBondContact O-N 3.37Å
80	K	50.7	Low	61.3	Low	104 Å²	104	83.1 Å²	83.1	45%	0.452	46%	0.46	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-26.8	176.8	-72.6	-169.9	178.3	-174.2	0	112.7	R82	K80-R82 VanDerWaalsContact C-N 3.27Å; K80-R82 PolarHBondContact O-N 3.08Å
81	T	50.7	Low	64.1	Low	91 Å²	91	81.2 Å²	81.2	56%	0.558	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.4	-18	177.9	57	0	0	0	0	113.1	G78 D79	G78-T81 PolarHBondContact O-OG1 3.26Å; D79-T81 PolarHBondContact O-N 3.28Å
82	R	66	Low	66.9	Low	159 Å²	159	75.5 Å²	75.5	60%	0.6	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.2	-19.8	-178.2	-61.5	-175.6	-179.6	-156.3	0.6	113.8	D79 K80	D79-R82 PolarHBondContact O-N 3.29Å; D79-R82 VanDerWaalsContact O-N 3.09Å; K80-R82 VanDerWaalsContact C-N 3.27Å; K80-R82 PolarHBondContact O-N 3.08Å
83	M	79.7	Confident	69.5	Low	0 Å²	0	73.7 Å²	73.7	0%	0	40%	0.401	C	S	.	.			trans	-123.6	62.8	178.7	-62.5	-177.6	-83.3	0	0	110.3	S43 L46 E47 V62 D79 L86 A87 I94	S43-M83 WeakPolarHBondContact O-CG 3.44Å; L46-M83 HydrophobicContact CB-SD 3.7Å; L46-M83 HydrophobicContact CD1-SD 4.41Å; E47-M83 HydrophobicContact CB-CB 4.26Å; E47-M83 HydrophobicContact CB-CG 4.09Å; E47-M83 WeakPolarHBondContact OE2-CA 3.42Å; V62-M83 HydrophobicContact CG1-CE 4.43Å; D79-M83 HydrophobicContact CB-CE 4.47Å; D79-M83 PolarHBondContact O-N 3.37Å; M83-L86 HydrophobicContact CB-CB 4.32Å; M83-L86 HydrophobicContact SD-CD2 4.27Å; M83-A87 WeakPolarHBondContact O-CB 3.43Å; M83-A87 PolarHBondContact O-N 3.02Å; M83-I94 HydrophobicContact CB-CD1 4.12Å; M83-I94 HydrophobicContact CE-CD1 4.2Å; M83-I94 HydrophobicContact CE-CG2 4.13Å; M83-I94 HydrophobicContact SD-CD1 4.43Å
84	N	85.3	Confident	72	Confident	84 Å²	84	71.1 Å²	71.1	45%	0.449	37%	0.371	S	S	.	.	H	α-helix	trans	-62	-45.8	-174.9	-86.8	-38.6	0	0	0	114.7	E47 R88	E47-N84 PolarHBondContact OE2-N 3Å; N84-R88 WeakPolarHBondContact O-CD 3.33Å; N84-R88 VanDerWaalsContact O-CG 3.3Å; N84-R88 WeakPolarHBondContact O-CG 3.4Å; N84-R88 PolarHBondContact O-N 2.64Å
85	D	90.9	Very high	74.2	Confident	79 Å²	79	73.3 Å²	73.3	42%	0.422	38%	0.375	S	S	.	.	H	α-helix	trans	-70.5	-45.7	-177.2	-73.4	-17.2	0	0	0	109.6	E47 M51 A87 R88 A89	E47-D85 HydrophobicContact CG-CB 4.36Å; E47-D85 PolarHBondContact OE2-N 2.96Å; M51-D85 HydrophobicContact CG-CB 4.3Å; M51-D85 HydrophobicContact SD-CB 4.26Å; D85-A87 PolarHBondContact O-N 2.91Å; D85-R88 PolarHBondContact O-N 2.81Å; D85-A89 PolarHBondContact O-N 2.89Å
86	L	91	Very high	76.3	Confident	2 Å²	2	72 Å²	72	1%	0.01	36%	0.364	C	S	.	.	H	α-helix	trans	-65.1	-40.8	178.8	-169.3	66.3	0	0	0	111.4	E47 M51 I54 V62 M83 R88 A89 A92 I94	E47-L86 HydrophobicContact CG-CB 4.45Å; M51-L86 HydrophobicContact SD-CD1 4.26Å; I54-L86 HydrophobicContact CD1-CD1 3.66Å; V62-L86 HydrophobicContact CG2-CD2 3.9Å; M83-L86 HydrophobicContact CB-CB 4.32Å; M83-L86 HydrophobicContact SD-CD2 4.27Å; L86-R88 PolarHBondContact O-N 3.17Å; L86-R88 VanDerWaalsContact O-N 3.16Å; L86-A89 PolarHBondContact O-N 3.41Å; L86-A92 HydrophobicContact CD1-CB 3.67Å; L86-A92 HydrophobicContact CG-CB 3.96Å; L86-A92 WeakPolarHBondContact O-CB 3.46Å; L86-I94 HydrophobicContact CB-CD1 4.35Å; L86-I94 HydrophobicContact CD2-CD1 4.16Å; L86-I94 HydrophobicContact CG-CD1 4.18Å
87	A	87.6	Confident	77.9	Confident	48 Å²	48	66.7 Å²	66.7	40%	0.397	34%	0.338	S	S	.	.	H	α-helix	trans	-64.6	-18	177.6	0	0	0	0	0	114	M83 D85 I94	M83-A87 WeakPolarHBondContact O-CB 3.43Å; M83-A87 PolarHBondContact O-N 3.02Å; D85-A87 PolarHBondContact O-N 2.91Å; A87-I94 HydrophobicContact CB-CD1 4.03Å
88	R	91.3	Very high	79.1	Confident	201 Å²	201	61.7 Å²	61.7	76%	0.758	31%	0.313	S	S	*	.	H	α-helix	trans	-96.8	-16.5	178	-72.1	173.7	179.4	178.1	1.3	113.4	N84 D85 L86 E90	N84-R88 WeakPolarHBondContact O-CD 3.33Å; N84-R88 VanDerWaalsContact O-CG 3.3Å; N84-R88 WeakPolarHBondContact O-CG 3.4Å; N84-R88 PolarHBondContact O-N 2.64Å; D85-R88 PolarHBondContact O-N 2.81Å; L86-R88 PolarHBondContact O-N 3.17Å; L86-R88 VanDerWaalsContact O-N 3.16Å; R88-E90 PolarHBondContact O-N 3.05Å
89	A	94.3	Very high	79.5	Confident	21 Å²	21	61 Å²	61	17%	0.174	30%	0.303	C	S	.	.			trans	-72.7	128.7	-178.8	0	0	0	0	0	110.7	M51 I54 D85 L86 A91 A92	M51-A89 HydrophobicContact SD-CB 4.27Å; I54-A89 HydrophobicContact CD1-CB 3.69Å; D85-A89 PolarHBondContact O-N 2.89Å; L86-A89 PolarHBondContact O-N 3.41Å; A89-A91 PolarHBondContact O-N 3.3Å; A89-A92 HydrophobicContact CB-CB 3.98Å; A89-A92 WeakPolarHBondContact O-CB 3.43Å; A89-A92 PolarHBondContact O-N 3.41Å
90	E	94.2	Very high	79.5	Confident	198 Å²	198	59.8 Å²	59.8	93%	0.925	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-29.2	-179.2	-170.4	177.7	-179.5	0	0	112.6	R88 A92	R88-E90 PolarHBondContact O-N 3.05Å; E90-A92 PolarHBondContact O-N 2.99Å
91	A	96.5	Very high	79.2	Confident	26 Å²	26	55.3 Å²	55.3	22%	0.215	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.7	1.7	175.2	0	0	0	0	0	113.6	I54 K59 V60 A89	I54-A91 HydrophobicContact CD1-CB 4.42Å; I54-A91 HydrophobicContact CG1-CB 4.1Å; I54-A91 HydrophobicContact CG2-CB 4.13Å; K59-A91 WeakPolarHBondContact CA-O 3.34Å; K59-A91 HydrophobicContact CG-CB 4.23Å; V60-A91 PolarHBondContact N-O 2.93Å; A89-A91 PolarHBondContact O-N 3.3Å
92	A	96.1	Very high	78.9	Confident	16 Å²	16	55 Å²	55	13%	0.132	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	149.9	-179.1	0	0	0	0	0	112.6	I54 V60 L86 A89 E90	I54-A92 HydrophobicContact CD1-CB 3.93Å; V60-A92 CarbonylContact O-C 3.59Å; V60-A92 VanDerWaalsContact O-CA 3.23Å; V60-A92 WeakPolarHBondContact O-CA 3.49Å; L86-A92 HydrophobicContact CD1-CB 3.67Å; L86-A92 HydrophobicContact CG-CB 3.96Å; L86-A92 WeakPolarHBondContact O-CB 3.46Å; A89-A92 HydrophobicContact CB-CB 3.98Å; A89-A92 WeakPolarHBondContact O-CB 3.43Å; A89-A92 PolarHBondContact O-N 3.41Å; E90-A92 PolarHBondContact O-N 2.99Å
93	F	93.7	Very high	77.9	Confident	62 Å²	62	50.5 Å²	50.5	27%	0.272	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	135.1	169.7	177.2	-96.8	0	0	0	111.2	M1 V60 A61 V62 R95 Y122	M1-F93 HydrophobicContact CE-CD1 4.09Å; M1-F93 HydrophobicContact CE-CE1 3.45Å; M1-F93 VanDerWaalsContact CE-CE1 3.45Å; M1-F93 HydrophobicContact CE-CZ 4.07Å; M1-F93 HydrophobicContact SD-CD1 4.32Å; M1-F93 HydrophobicContact SD-CE1 3.18Å; M1-F93 WeakPolarHBondContact SD-CE1 3.45Å; M1-F93 HydrophobicContact SD-CZ 3.3Å; M1-F93 WeakPolarHBondContact SD-CZ 3.46Å; V60-F93 PolarHBondContact O-N 2.74Å; A61-F93 CarbonylContact C-O 3.56Å; A61-F93 VanDerWaalsContact CA-O 3.25Å; A61-F93 WeakPolarHBondContact CA-O 3.4Å; V62-F93 PolarHBondContact N-O 2.98Å; F93-R95 HydrophobicContact CD1-CB 4.48Å; F93-R95 HydrophobicContact CE1-CB 3.6Å; F93-R95 HydrophobicContact CE1-CG 4.34Å; F93-R95 HydrophobicContact CZ-CB 4.05Å; F93-R95 HydrophobicContact CZ-CG 4.46Å; F93-Y122 HydrophobicContact CB-CE1 3.8Å; F93-Y122 WeakPolarHBondContact CB-OH 3.46Å
94	I	90.7	Very high	76.6	Confident	14 Å²	14	51.7 Å²	51.7	7%	0.072	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	126.4	-177.2	-52.5	177.9	0	0	0	109.1	V62 M83 L86 A87	V62-I94 HydrophobicContact CB-CG1 4.29Å; V62-I94 HydrophobicContact CB-CG2 4.39Å; V62-I94 CarbonylContact O-C 3.56Å; V62-I94 WeakPolarHBondContact O-CA 3.13Å; M83-I94 HydrophobicContact CB-CD1 4.12Å; M83-I94 HydrophobicContact CE-CD1 4.2Å; M83-I94 HydrophobicContact CE-CG2 4.13Å; M83-I94 HydrophobicContact SD-CD1 4.43Å; L86-I94 HydrophobicContact CB-CD1 4.35Å; L86-I94 HydrophobicContact CD2-CD1 4.16Å; L86-I94 HydrophobicContact CG-CD1 4.18Å; A87-I94 HydrophobicContact CB-CD1 4.03Å
95	R	87.6	Confident	75.6	Confident	61 Å²	61	48 Å²	48	23%	0.23	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	118.4	179	-166.6	69.4	175.8	177.8	6.5	111.7	M1 T2 E5 V62 I63 A64 F93 L113	M1-R95 HydrophobicContact SD-CG 4.36Å; T2-R95 PolarHBondContact OG1-NH2 3.33Å; E5-R95 IonicContact OE1-CZ 3.19Å; E5-R95 IonicContact OE1-NE 2.64Å; E5-R95 PolarHBondContact OE1-NE 3.1Å; E5-R95 IonicContact OE1-NH2 2.91Å; E5-R95 IonicContact OE2-CZ 3.97Å; E5-R95 IonicContact OE2-NE 3.88Å; E5-R95 PolarHBondContact OE2-NE 3.44Å; E5-R95 IonicContact OE2-NH2 3.84Å; E5-R95 PolarHBondContact OE2-NH2 3.29Å; V62-R95 PolarHBondContact O-N 2.96Å; I63-R95 WeakPolarHBondContact CA-O 3.19Å; A64-R95 PolarHBondContact N-O 3.28Å; F93-R95 HydrophobicContact CD1-CB 4.48Å; F93-R95 HydrophobicContact CE1-CB 3.6Å; F93-R95 HydrophobicContact CE1-CG 4.34Å; F93-R95 HydrophobicContact CZ-CB 4.05Å; F93-R95 HydrophobicContact CZ-CG 4.46Å; R95-L113 HydrophobicContact CG-CD1 4.13Å
96	P	80.9	Confident	74.6	Confident	26 Å²	26	44.3 Å²	44.3	17%	0.169	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	140	166.8	29.5	-30.8	0	0	0	110.2	S75	S75-P96 WeakPolarHBondContact O-CG 3.37Å
97	V	74.6	Confident	73.8	Confident	4 Å²	4	44.5 Å²	44.5	2%	0.024	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	117.5	174.7	-168.2	0	0	0	0	108.6	I63 A64 V65 S99 R109 A110 L113	I63-V97 HydrophobicContact CG2-CG2 3.24Å; A64-V97 PolarHBondContact O-N 2.8Å; V65-V97 HydrophobicContact CG2-CG2 4.27Å; V97-S99 PolarHBondContact O-N 3.27Å; V97-R109 HydrophobicContact CG1-CB 3.5Å; V97-A110 HydrophobicContact CG2-CB 4.26Å; V97-L113 HydrophobicContact CG2-CD1 3.76Å
98	P	62.5	Low	73.3	Confident	27 Å²	27	44.3 Å²	44.3	18%	0.175	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	130.3	175.3	25.6	-30.7	0	0	0	110.1	S100	P98-S100 PolarHBondContact O-N 2.88Å
99	S	53.7	Low	72.9	Confident	14 Å²	14	35.8 Å²	35.8	10%	0.098	20%	0.196	C	C	.	.			trans	-53.9	110.6	167	155.1	0	0	0	0	109.4	D66 P67 V97 G101	D66-S99 VanDerWaalsContact O-CB 3.25Å; D66-S99 WeakPolarHBondContact O-CB 3.3Å; P67-S99 VanDerWaalsContact O-CB 3.25Å; P67-S99 WeakPolarHBondContact O-CB 3.19Å; P67-S99 PolarHBondContact O-OG 2.91Å; V97-S99 PolarHBondContact O-N 3.27Å; S99-G101 PolarHBondContact O-N 3.4Å
100	S	51	Low	72.6	Confident	18 Å²	18	34.8 Å²	34.8	13%	0.126	19%	0.188	C	C	.	.			trans	-81.3	33.6	-179	49.8	0	0	0	0	112.2	R7 P98 H102 G105 A106	R7-S100 VanDerWaalsContact NH2-CB 3.33Å; R7-S100 PolarHBondContact NH2-O 3.47Å; P98-S100 PolarHBondContact O-N 2.88Å; S100-H102 PolarHBondContact O-N 3.12Å; S100-G105 WeakPolarHBondContact OG-CA 3.37Å; S100-G105 PolarHBondContact OG-O 3.17Å; S100-A106 PolarHBondContact OG-N 2.96Å
101	G	44.4	Very low	72.3	Confident	10 Å²	10	26.4 Å²	26.4	10%	0.103	15%	0.148	C	C	.	.	S	Bend	trans	73.6	-1.8	173.7	0	0	0	0	0	115.6	S99 K303	S99-G101 PolarHBondContact O-N 3.4Å; G101-K303 WeakPolarHBondContact O-CD 3.43Å; G101-K303 WeakPolarHBondContact O-CE 3.46Å
102	H	46.2	Very low	72	Confident	86 Å²	86	26 Å²	26	40%	0.398	14%	0.142	S	C	.	.	S	Bend	trans	-140.8	140.6	168.8	-59.3	89.5	0	0	0	107	S100 G104 G105 G301	S100-H102 PolarHBondContact O-N 3.12Å; H102-G104 VanDerWaalsContact C-N 3.27Å; H102-G104 PolarHBondContact O-N 3.05Å; H102-G105 PolarHBondContact O-N 3.36Å; H102-G105 VanDerWaalsContact O-N 3.1Å; H102-G301 PolarHBondContact CD2-O 3.27Å
103	L	43.5	Very low	71.8	Confident	63 Å²	63	25.3 Å²	25.3	33%	0.33	14%	0.136	S	C	.	.	H	α-helix	trans	-56.4	-41.7	-176.3	-118.9	134.6	0	0	0	112	P67 G105 A106 Q134	P67-L103 HydrophobicContact CB-CG 4.35Å; L103-G105 VanDerWaalsContact C-N 3.29Å; L103-G105 PolarHBondContact O-N 3Å; L103-A106 PolarHBondContact O-N 3.46Å; L103-Q134 HydrophobicContact CD2-CB 4.05Å
104	G	53	Low	71.8	Confident	25 Å²	25	22.4 Å²	22.4	26%	0.258	12%	0.123	S	C	.	.	H	α-helix	trans	-61.6	-32.7	178.4	0	0	0	0	0	114.2	H102 A106 S107 Q108	H102-G104 VanDerWaalsContact C-N 3.27Å; H102-G104 PolarHBondContact O-N 3.05Å; G104-A106 VanDerWaalsContact C-N 3.34Å; G104-A106 PolarHBondContact O-N 2.83Å; G104-S107 PolarHBondContact O-N 2.83Å; G104-Q108 WeakPolarHBondContact O-CB 3.39Å; G104-Q108 PolarHBondContact O-N 2.92Å
105	G	63.8	Low	71.9	Confident	7 Å²	7	22.1 Å²	22.1	7%	0.072	12%	0.121	C	C	.	.	H	α-helix	trans	-72	-27.8	-178.5	0	0	0	0	0	113.1	S100 H102 L103 R109	S100-G105 WeakPolarHBondContact OG-CA 3.37Å; S100-G105 PolarHBondContact OG-O 3.17Å; H102-G105 PolarHBondContact O-N 3.36Å; H102-G105 VanDerWaalsContact O-N 3.1Å; L103-G105 VanDerWaalsContact C-N 3.29Å; L103-G105 PolarHBondContact O-N 3Å; G105-R109 WeakPolarHBondContact O-CB 3.18Å; G105-R109 WeakPolarHBondContact O-CG 3.49Å; G105-R109 PolarHBondContact O-N 3.28Å; G105-R109 VanDerWaalsContact O-N 3.14Å
106	A	70	Confident	72.3	Confident	2 Å²	2	20.2 Å²	20.2	2%	0.017	12%	0.115	C	C	.	.	H	α-helix	trans	-71.2	-43.1	175.8	0	0	0	0	0	110.9	V65 S100 L103 G104 R109 A110	V65-A106 HydrophobicContact CG1-CB 3.88Å; S100-A106 PolarHBondContact OG-N 2.96Å; L103-A106 PolarHBondContact O-N 3.46Å; G104-A106 VanDerWaalsContact C-N 3.34Å; G104-A106 PolarHBondContact O-N 2.83Å; A106-R109 PolarHBondContact O-N 2.87Å; A106-A110 WeakPolarHBondContact O-CB 3.3Å; A106-A110 PolarHBondContact O-N 3.16Å
107	S	74.9	Confident	73	Confident	6 Å²	6	19 Å²	19	4%	0.042	11%	0.107	C	C	.	.	H	α-helix	trans	-64.4	-42	175.9	-58.6	0	0	0	0	112.4	G104 R109 A110 R111 E138 M142	G104-S107 PolarHBondContact O-N 2.83Å; S107-R109 PolarHBondContact O-N 2.97Å; S107-A110 PolarHBondContact O-N 3.18Å; S107-R111 PolarHBondContact O-N 3.4Å; S107-E138 WeakPolarHBondContact CB-OE2 3.49Å; S107-E138 WeakPolarHBondContact OG-CB 3.22Å; S107-E138 PolarHBondContact OG-OE2 3.1Å; S107-M142 WeakPolarHBondContact O-CE 3.3Å
108	Q	77.3	Confident	74	Confident	43 Å²	43	19 Å²	19	20%	0.201	11%	0.108	C	C	.	.	H	α-helix	trans	-59	-47.6	174.5	-178.7	-175.7	21.6	0	0	111.4	G104 A110 R111 E112 E259	G104-Q108 WeakPolarHBondContact O-CB 3.39Å; G104-Q108 PolarHBondContact O-N 2.92Å; Q108-A110 PolarHBondContact O-N 3.28Å; Q108-R111 WeakPolarHBondContact O-CB 3.45Å; Q108-R111 PolarHBondContact O-N 2.77Å; Q108-R111 VanDerWaalsContact O-N 3.16Å; Q108-E112 WeakPolarHBondContact O-CG 3.09Å; Q108-E112 PolarHBondContact O-N 3.29Å; Q108-E259 PolarHBondContact NE2-OE2 2.8Å; Q108-E259 PolarHBondContact OE1-OE2 3.39Å; Q108-E259 VanDerWaalsContact OE1-OE2 3.09Å
109	R	82.4	Confident	75.6	Confident	22 Å²	22	19.3 Å²	19.3	8%	0.083	11%	0.112	C	C	.	.	H	α-helix	trans	-62.7	-41.7	176.3	-75.5	-123.1	173	151.4	-13.5	113.1	V4 E5 S6 V97 G105 A106 S107 R111 E112 L113	V4-R109 PolarHBondContact O-NH2 3.24Å; E5-R109 VanDerWaalsContact CA-NH1 3.27Å; E5-R109 PolarHBondContact O-NH1 3.33Å; E5-R109 PolarHBondContact O-NH2 3.23Å; S6-R109 PolarHBondContact O-NH2 3.24Å; S6-R109 VanDerWaalsContact O-NH2 3.13Å; V97-R109 HydrophobicContact CG1-CB 3.5Å; G105-R109 WeakPolarHBondContact O-CB 3.18Å; G105-R109 WeakPolarHBondContact O-CG 3.49Å; G105-R109 PolarHBondContact O-N 3.28Å; G105-R109 VanDerWaalsContact O-N 3.14Å; A106-R109 PolarHBondContact O-N 2.87Å; S107-R109 PolarHBondContact O-N 2.97Å; R109-R111 PolarHBondContact O-N 3.21Å; R109-E112 PolarHBondContact O-N 2.97Å; R109-L113 WeakPolarHBondContact O-CB 3.31Å; R109-L113 VanDerWaalsContact O-CG 3.32Å; R109-L113 WeakPolarHBondContact O-CG 3.42Å; R109-L113 PolarHBondContact O-N 3.42Å
110	A	87.9	Confident	77.7	Confident	0 Å²	0	21.7 Å²	21.7	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-57.4	-39.8	175.4	0	0	0	0	0	111	I63 V65 V97 A106 S107 Q108 M114 V127 M142	I63-A110 HydrophobicContact CG2-CB 3.98Å; V65-A110 HydrophobicContact CG2-CB 3.58Å; V97-A110 HydrophobicContact CG2-CB 4.26Å; A106-A110 WeakPolarHBondContact O-CB 3.3Å; A106-A110 PolarHBondContact O-N 3.16Å; S107-A110 PolarHBondContact O-N 3.18Å; Q108-A110 PolarHBondContact O-N 3.28Å; A110-M114 WeakPolarHBondContact O-CB 3.36Å; A110-M114 PolarHBondContact O-N 3.12Å; A110-V127 HydrophobicContact CB-CG1 4.2Å; A110-M142 HydrophobicContact CB-SD 4.36Å
111	R	88.6	Confident	79.8	Confident	22 Å²	22	22.9 Å²	22.9	8%	0.083	15%	0.147	C	C	.	.	H	α-helix	trans	-67.3	-43.1	177.1	-172.8	167.3	-179.3	140.7	-2.3	113.4	S107 Q108 R109 L113 M114 L115 M142 Q248 W252	S107-R111 PolarHBondContact O-N 3.4Å; Q108-R111 WeakPolarHBondContact O-CB 3.45Å; Q108-R111 PolarHBondContact O-N 2.77Å; Q108-R111 VanDerWaalsContact O-N 3.16Å; R109-R111 PolarHBondContact O-N 3.21Å; R111-L113 VanDerWaalsContact C-N 3.34Å; R111-M114 HydrophobicContact CG-CE 4.07Å; R111-M114 WeakPolarHBondContact O-CB 3.18Å; R111-M114 PolarHBondContact O-N 3.35Å; R111-L115 WeakPolarHBondContact O-CG 3.26Å; R111-L115 PolarHBondContact O-N 3.41Å; R111-M142 HydrophobicContact CB-SD 4.1Å; R111-Q248 PolarHBondContact NH1-O 3.28Å; R111-Q248 PolarHBondContact NH2-O 2.84Å; R111-W252 VanDerWaalsContact CZ-CB 3.44Å
112	E	89.5	Confident	82.4	Confident	19 Å²	19	24.4 Å²	24.4	9%	0.089	15%	0.15	C	C	.	.	H	α-helix	trans	-64.8	-40	176.7	-65.4	168	167.1	0	0	111.9	V4 L19 Q108 R109 M114 L115 L116 Q256	V4-E112 HydrophobicContact CG1-CB 3.72Å; V4-E112 HydrophobicContact CG1-CG 4.38Å; V4-E112 VanDerWaalsContact CG1-OE2 3.26Å; V4-E112 WeakPolarHBondContact CG1-OE2 3.34Å; L19-E112 HydrophobicContact CD1-CB 4.28Å; L19-E112 HydrophobicContact CD1-CG 3.88Å; L19-E112 HydrophobicContact CD2-CB 4.16Å; Q108-E112 WeakPolarHBondContact O-CG 3.09Å; Q108-E112 PolarHBondContact O-N 3.29Å; R109-E112 PolarHBondContact O-N 2.97Å; E112-M114 VanDerWaalsContact C-N 3.34Å; E112-L115 PolarHBondContact O-N 2.94Å; E112-L116 PolarHBondContact O-N 3.48Å; E112-L116 VanDerWaalsContact O-N 3.08Å; E112-Q256 PolarHBondContact OE1-NE2 2.96Å
113	L	92.1	Very high	84.8	Confident	1 Å²	1	23.7 Å²	23.7	1%	0.005	15%	0.15	C	C	.	.	H	α-helix	trans	-65.3	-38.2	173.5	-68.9	175.5	0	0	0	111.8	M1 E5 I63 R95 V97 R109 R111 L116 C117	M1-L113 HydrophobicContact CB-CD2 3.67Å; M1-L113 HydrophobicContact CG-CD2 3.56Å; M1-L113 HydrophobicContact SD-CD2 3.93Å; E5-L113 HydrophobicContact CG-CD2 4.25Å; I63-L113 HydrophobicContact CD1-CB 3.86Å; I63-L113 HydrophobicContact CG2-CD1 4.45Å; R95-L113 HydrophobicContact CG-CD1 4.13Å; V97-L113 HydrophobicContact CG2-CD1 3.76Å; R109-L113 WeakPolarHBondContact O-CB 3.31Å; R109-L113 VanDerWaalsContact O-CG 3.32Å; R109-L113 WeakPolarHBondContact O-CG 3.42Å; R109-L113 PolarHBondContact O-N 3.42Å; R111-L113 VanDerWaalsContact C-N 3.34Å; L113-L116 HydrophobicContact CD2-CD1 4.23Å; L113-L116 WeakPolarHBondContact O-CB 3.32Å; L113-L116 PolarHBondContact O-N 2.91Å; L113-C117 PolarHBondContact O-N 3.09Å; L113-C117 PolarHBondContact O-SG 3.03Å
114	M	94	Very high	87.4	Confident	0 Å²	0	20.8 Å²	20.8	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-58.5	-50.9	173.2	176.4	173.2	68.2	0	0	110.3	R31 I63 A110 R111 E112 L116 C117 E118 V125 V127	R31-M114 HydrophobicContact CB-SD 3.98Å; R31-M114 HydrophobicContact CG-CE 4.46Å; R31-M114 HydrophobicContact CG-SD 3.61Å; I63-M114 HydrophobicContact CD1-CB 3.92Å; A110-M114 WeakPolarHBondContact O-CB 3.36Å; A110-M114 PolarHBondContact O-N 3.12Å; R111-M114 HydrophobicContact CG-CE 4.07Å; R111-M114 WeakPolarHBondContact O-CB 3.18Å; R111-M114 PolarHBondContact O-N 3.35Å; E112-M114 VanDerWaalsContact C-N 3.34Å; M114-L116 VanDerWaalsContact C-N 3.27Å; M114-L116 PolarHBondContact O-N 2.74Å; M114-C117 WeakPolarHBondContact O-CA 3.48Å; M114-C117 VanDerWaalsContact O-CB 3.32Å; M114-C117 WeakPolarHBondContact O-CB 3.36Å; M114-C117 PolarHBondContact O-N 3.29Å; M114-E118 HydrophobicContact CG-CG 4.49Å; M114-E118 WeakPolarHBondContact O-CG 3.5Å; M114-E118 PolarHBondContact O-N 3.46Å; M114-V125 HydrophobicContact CB-CG1 4.1Å; M114-V125 HydrophobicContact CG-CB 4.17Å; M114-V125 HydrophobicContact CG-CG1 3.77Å; M114-V125 HydrophobicContact CG-CG2 4.49Å; M114-V125 HydrophobicContact SD-CG1 4.45Å; M114-V127 HydrophobicContact SD-CG2 4.47Å
115	L	93	Very high	89.6	Confident	8 Å²	8	19.6 Å²	19.6	4%	0.042	12%	0.122	C	C	.	.	H	α-helix	trans	-56.4	-40.3	177	-66.5	172	0	0	0	112.6	I22 M23 C26 R111 E112 C117 E118 A119 W252	I22-L115 HydrophobicContact CD1-CB 4.23Å; M23-L115 HydrophobicContact SD-CD1 4.18Å; C26-L115 HydrophobicContact CB-CD2 4.03Å; C26-L115 PolarHBondContact SG-O 2.67Å; C26-L115 VanDerWaalsContact SG-O 3.4Å; R111-L115 WeakPolarHBondContact O-CG 3.26Å; R111-L115 PolarHBondContact O-N 3.41Å; E112-L115 PolarHBondContact O-N 2.94Å; L115-C117 VanDerWaalsContact C-N 3.34Å; L115-C117 PolarHBondContact O-N 3.16Å; L115-E118 PolarHBondContact O-N 3.49Å; L115-A119 WeakPolarHBondContact O-CB 3.4Å; L115-A119 PolarHBondContact O-N 3.25Å; L115-W252 HydrophobicContact CD1-CH2 4.22Å; L115-W252 HydrophobicContact CD1-CZ2 4.4Å
116	L	95.3	Very high	91.1	Very high	21 Å²	21	19.3 Å²	19.3	11%	0.11	12%	0.119	C	C	.	.	H	α-helix	trans	-62.5	-39.6	174	-74.6	168.2	0	0	0	112.7	M1 V4 L18 L19 I22 E112 L113 M114 A120	M1-L116 HydrophobicContact CB-CD1 4.44Å; M1-L116 HydrophobicContact CE-CB 4.23Å; M1-L116 HydrophobicContact CG-CB 4.45Å; M1-L116 HydrophobicContact CG-CD1 3.8Å; V4-L116 HydrophobicContact CB-CD1 4.23Å; V4-L116 HydrophobicContact CG2-CD1 3.75Å; L18-L116 HydrophobicContact CD2-CD2 4.11Å; L18-L116 HydrophobicContact CG-CD2 4.41Å; L19-L116 HydrophobicContact CD2-CG 4.49Å; I22-L116 HydrophobicContact CD1-CD2 3.66Å; I22-L116 HydrophobicContact CD1-CG 4Å; E112-L116 PolarHBondContact O-N 3.48Å; E112-L116 VanDerWaalsContact O-N 3.08Å; L113-L116 HydrophobicContact CD2-CD1 4.23Å; L113-L116 WeakPolarHBondContact O-CB 3.32Å; L113-L116 PolarHBondContact O-N 2.91Å; M114-L116 VanDerWaalsContact C-N 3.27Å; M114-L116 PolarHBondContact O-N 2.74Å; L116-A120 VanDerWaalsContact O-CB 3.28Å; L116-A120 WeakPolarHBondContact O-CB 3.37Å; L116-A120 PolarHBondContact O-N 2.88Å
117	C	96.1	Very high	92.3	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-65.3	-41.9	173.8	-64.9	0	0	0	0	111.4	M1 A61 L113 M114 L115 A119 A120 G121 Y122 V125	M1-C117 WeakPolarHBondContact CE-SG 3.47Å; A61-C117 HydrophobicContact CB-CB 4Å; A61-C117 VanDerWaalsContact CB-SG 3.54Å; L113-C117 PolarHBondContact O-N 3.09Å; L113-C117 PolarHBondContact O-SG 3.03Å; M114-C117 WeakPolarHBondContact O-CA 3.48Å; M114-C117 VanDerWaalsContact O-CB 3.32Å; M114-C117 WeakPolarHBondContact O-CB 3.36Å; M114-C117 PolarHBondContact O-N 3.29Å; L115-C117 VanDerWaalsContact C-N 3.34Å; L115-C117 PolarHBondContact O-N 3.16Å; C117-A119 PolarHBondContact O-N 2.87Å; C117-A120 PolarHBondContact O-N 3.16Å; C117-G121 PolarHBondContact O-N 2.76Å; C117-Y122 HydrophobicContact CB-CD2 3.98Å; C117-Y122 HydrophobicContact CB-CG 4.29Å; C117-Y122 VanDerWaalsContact O-CD2 3.3Å; C117-Y122 WeakPolarHBondContact O-CD2 3.37Å; C117-Y122 PolarHBondContact O-N 3.28Å; C117-Y122 VanDerWaalsContact O-N 3.14Å; C117-V125 HydrophobicContact CB-CG2 3.5Å; C117-V125 VanDerWaalsContact CB-CG2 3.5Å
118	E	95.8	Very high	93	Very high	6 Å²	6	19.6 Å²	19.6	3%	0.028	12%	0.119	C	C	.	.	H	α-helix	trans	-59.8	-50.3	177.4	-57.4	-169	163.9	0	0	110.9	C26 G27 T29 R31 M114 L115 A120 G121	C26-E118 HydrophobicContact CB-CB 4.3Å; C26-E118 WeakPolarHBondContact CB-OE2 3.32Å; G27-E118 PolarHBondContact N-OE2 3.26Å; T29-E118 HydrophobicContact CG2-CG 4.16Å; T29-E118 WeakPolarHBondContact OG1-CA 3.23Å; T29-E118 WeakPolarHBondContact OG1-CG 3.44Å; R31-E118 IonicContact CZ-OE1 3.26Å; R31-E118 IonicContact CZ-OE2 2.73Å; R31-E118 IonicContact NE-OE1 3.47Å; R31-E118 PolarHBondContact NE-OE1 3.41Å; R31-E118 VanDerWaalsContact NH2-CD 3.3Å; R31-E118 IonicContact NH2-OE1 3.96Å; R31-E118 PolarHBondContact NH2-OE1 2.96Å; R31-E118 IonicContact NH2-OE2 3.47Å; R31-E118 PolarHBondContact NH2-OE2 3.07Å; M114-E118 HydrophobicContact CG-CG 4.49Å; M114-E118 WeakPolarHBondContact O-CG 3.5Å; M114-E118 PolarHBondContact O-N 3.46Å; L115-E118 PolarHBondContact O-N 3.49Å; E118-A120 PolarHBondContact O-N 3.05Å; E118-G121 PolarHBondContact O-N 2.78Å
119	A	95.9	Very high	93.3	Very high	32 Å²	32	17.5 Å²	17.5	26%	0.264	11%	0.11	S	C	.	.	H	α-helix	trans	-63.5	-25.7	178	0	0	0	0	0	113.3	I22 L115 C117 G121	I22-A119 HydrophobicContact CB-CB 3.67Å; I22-A119 HydrophobicContact CD1-CB 4.18Å; I22-A119 HydrophobicContact CG1-CB 4.38Å; I22-A119 HydrophobicContact CG2-CB 4.1Å; L115-A119 WeakPolarHBondContact O-CB 3.4Å; L115-A119 PolarHBondContact O-N 3.25Å; C117-A119 PolarHBondContact O-N 2.87Å; A119-G121 VanDerWaalsContact C-N 3.26Å; A119-G121 PolarHBondContact O-N 3.32Å
120	A	96.2	Very high	92.6	Very high	65 Å²	65	18.8 Å²	18.8	54%	0.537	12%	0.12	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.2	-1.3	174.1	0	0	0	0	0	113.7	L116 C117 E118 Y122	L116-A120 VanDerWaalsContact O-CB 3.28Å; L116-A120 WeakPolarHBondContact O-CB 3.37Å; L116-A120 PolarHBondContact O-N 2.88Å; C117-A120 PolarHBondContact O-N 3.16Å; E118-A120 PolarHBondContact O-N 3.05Å; A120-Y122 HydrophobicContact CB-CD2 4.05Å; A120-Y122 HydrophobicContact CB-CE2 4.08Å
121	G	96.1	Very high	91.2	Very high	42 Å²	42	19.5 Å²	19.5	43%	0.433	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	82.2	31.7	175.7	0	0	0	0	0	114.2	C117 E118 A119	C117-G121 PolarHBondContact O-N 2.76Å; E118-G121 PolarHBondContact O-N 2.78Å; A119-G121 VanDerWaalsContact C-N 3.26Å; A119-G121 PolarHBondContact O-N 3.32Å
122	Y	97.9	Very high	89.5	Confident	42 Å²	42	22.6 Å²	22.6	17%	0.165	15%	0.149	C	C	.	.			trans	-77.2	132.4	167.3	-74.6	-92.6	0	0	0	110.3	T29 K59 V60 A61 F93 C117 A120	T29-Y122 WeakPolarHBondContact CB-O 3.31Å; T29-Y122 VanDerWaalsContact CG2-O 3.26Å; T29-Y122 WeakPolarHBondContact CG2-O 3.44Å; T29-Y122 PolarHBondContact OG1-O 2.78Å; K59-Y122 HydrophobicContact CB-CD1 3.91Å; K59-Y122 HydrophobicContact CB-CE1 4.41Å; K59-Y122 HydrophobicContact CB-CG 4.48Å; V60-Y122 WeakPolarHBondContact O-CE1 3.13Å; A61-Y122 HydrophobicContact CB-CD1 3.77Å; A61-Y122 HydrophobicContact CB-CE1 4.14Å; A61-Y122 HydrophobicContact CB-CG 3.99Å; F93-Y122 HydrophobicContact CB-CE1 3.8Å; F93-Y122 WeakPolarHBondContact CB-OH 3.46Å; C117-Y122 HydrophobicContact CB-CD2 3.98Å; C117-Y122 HydrophobicContact CB-CG 4.29Å; C117-Y122 VanDerWaalsContact O-CD2 3.3Å; C117-Y122 WeakPolarHBondContact O-CD2 3.37Å; C117-Y122 PolarHBondContact O-N 3.28Å; C117-Y122 VanDerWaalsContact O-N 3.14Å; A120-Y122 HydrophobicContact CB-CD2 4.05Å; A120-Y122 HydrophobicContact CB-CE2 4.08Å
123	D	97.9	Very high	88	Confident	72 Å²	72	22.4 Å²	22.4	39%	0.385	15%	0.152	S	C	.	.	S	Bend	trans	-79.3	-33.2	-178.4	-57.1	-67.7	0	0	0	112	T29 L30 L58 K59	T29-D123 WeakPolarHBondContact CA-O 3.32Å; T29-D123 WeakPolarHBondContact CG2-O 3.43Å; L30-D123 PolarHBondContact N-O 2.81Å; L58-D123 HydrophobicContact CB-CB 4.11Å; L58-D123 HydrophobicContact CD2-CB 3.81Å; K59-D123 PolarHBondContact N-OD2 3.36Å; K59-D123 PolarHBondContact O-N 2.78Å
124	V	98.4	Very high	86.5	Confident	2 Å²	2	27.6 Å²	27.6	1%	0.012	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	129.5	177.8	-174	0	0	0	0	110.1	L30 L32 L53 L58 K59 V60 A61 I126 W225	L30-V124 HydrophobicContact CB-CG2 4.43Å; L30-V124 WeakPolarHBondContact O-CA 3.42Å; L32-V124 HydrophobicContact CD1-CG1 3.73Å; L32-V124 HydrophobicContact CG-CG1 4.11Å; L53-V124 HydrophobicContact CD1-CB 4.16Å; L53-V124 HydrophobicContact CD1-CG1 3.98Å; L53-V124 HydrophobicContact CD1-CG2 4.16Å; L58-V124 HydrophobicContact CD1-CG2 4.23Å; K59-V124 PolarHBondContact O-N 2.8Å; K59-V124 VanDerWaalsContact O-N 3.09Å; V60-V124 CarbonylContact C-O 3.6Å; V60-V124 WeakPolarHBondContact CA-O 3.43Å; V60-V124 HydrophobicContact CG2-CB 4.46Å; A61-V124 PolarHBondContact N-O 3.48Å; V124-I126 HydrophobicContact CG1-CG1 4.09Å; V124-W225 HydrophobicContact CG2-CH2 4.3Å
125	V	97.8	Very high	85.3	Confident	0 Å²	0	27.7 Å²	27.7	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	122.7	170.3	176.9	0	0	0	0	108.7	T29 L30 R31 L32 A61 I63 M114 C117	T29-V125 HydrophobicContact CG2-CB 4.06Å; T29-V125 HydrophobicContact CG2-CG2 3.57Å; L30-V125 PolarHBondContact O-N 3.01Å; R31-V125 WeakPolarHBondContact CA-O 3.49Å; L32-V125 PolarHBondContact N-O 3.38Å; A61-V125 HydrophobicContact CB-CG2 4.11Å; A61-V125 CarbonylContact O-C 3.38Å; A61-V125 WeakPolarHBondContact O-CA 3.35Å; I63-V125 HydrophobicContact CD1-CG1 3.73Å; I63-V125 HydrophobicContact CG1-CG1 4.3Å; M114-V125 HydrophobicContact CB-CG1 4.1Å; M114-V125 HydrophobicContact CG-CB 4.17Å; M114-V125 HydrophobicContact CG-CG1 3.77Å; M114-V125 HydrophobicContact CG-CG2 4.49Å; M114-V125 HydrophobicContact SD-CG1 4.45Å; C117-V125 HydrophobicContact CB-CG2 3.5Å; C117-V125 VanDerWaalsContact CB-CG2 3.5Å
126	I	97	Very high	84.6	Confident	0 Å²	0	27.6 Å²	27.6	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	126.6	178.3	-51.8	174.1	0	0	0	108.9	L32 V34 L46 F49 V60 A61 V62 I63 V124	L32-I126 HydrophobicContact CB-CG1 4.26Å; L32-I126 HydrophobicContact CD1-CG1 4.34Å; L32-I126 CarbonylContact O-C 3.58Å; L32-I126 VanDerWaalsContact O-CA 3.31Å; L32-I126 WeakPolarHBondContact O-CA 3.38Å; V34-I126 HydrophobicContact CB-CG2 4.24Å; V34-I126 HydrophobicContact CG2-CG2 3.63Å; L46-I126 HydrophobicContact CD2-CD1 4.2Å; L46-I126 HydrophobicContact CD2-CG2 3.65Å; F49-I126 HydrophobicContact CD1-CD1 3.91Å; F49-I126 HydrophobicContact CE1-CD1 4.12Å; V60-I126 HydrophobicContact CG1-CD1 4.02Å; V60-I126 HydrophobicContact CG1-CG1 4.42Å; A61-I126 PolarHBondContact O-N 2.84Å; V62-I126 CarbonylContact C-O 3.57Å; V62-I126 WeakPolarHBondContact CA-O 3.38Å; V62-I126 HydrophobicContact CG2-CB 4.45Å; V62-I126 HydrophobicContact CG2-CD1 4.47Å; I63-I126 PolarHBondContact N-O 2.91Å; V124-I126 HydrophobicContact CG1-CG1 4.09Å
127	V	93.8	Very high	83.8	Confident	0 Å²	0	28.6 Å²	28.6	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	110.4	173.4	-173.3	0	0	0	0	108.5	L32 G33 V34 I63 V65 A110 M114 V139 V143	L32-V127 PolarHBondContact O-N 3.46Å; G33-V127 CarbonylContact C-O 3.54Å; G33-V127 WeakPolarHBondContact CA-O 3.32Å; V34-V127 PolarHBondContact N-O 3.31Å; I63-V127 HydrophobicContact CB-CG2 4.47Å; I63-V127 CarbonylContact O-C 3.6Å; I63-V127 WeakPolarHBondContact O-CA 3.39Å; V65-V127 HydrophobicContact CG2-CG1 3.74Å; A110-V127 HydrophobicContact CB-CG1 4.2Å; M114-V127 HydrophobicContact SD-CG2 4.47Å; V127-V139 HydrophobicContact CB-CG1 3.9Å; V127-V139 HydrophobicContact CG1-CB 4.5Å; V127-V139 HydrophobicContact CG1-CG1 3.78Å; V127-V139 HydrophobicContact CG1-CG2 3.81Å; V127-V143 HydrophobicContact CB-CG1 4.4Å; V127-V143 HydrophobicContact CG2-CG1 4.26Å
128	E	90.8	Very high	83	Confident	14 Å²	14	30.7 Å²	30.7	7%	0.065	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	139.4	177.9	177.1	-179.3	-171.4	0	0	110.9	V34 K42 L46 I63 V65	V34-E128 CarbonylContact O-C 3.52Å; V34-E128 VanDerWaalsContact O-CA 3.3Å; V34-E128 WeakPolarHBondContact O-CA 3.43Å; K42-E128 WeakPolarHBondContact CB-OE1 3.3Å; K42-E128 HydrophobicContact CD-CG 4.27Å; K42-E128 WeakPolarHBondContact CE-OE1 3.33Å; L46-E128 HydrophobicContact CD1-CB 3.93Å; L46-E128 VanDerWaalsContact CD1-CD 3.46Å; L46-E128 HydrophobicContact CD1-CG 3.99Å; L46-E128 WeakPolarHBondContact CD1-OE2 3.34Å; I63-E128 PolarHBondContact O-N 2.85Å; V65-E128 WeakPolarHBondContact CB-O 3.31Å; V65-E128 PolarHBondContact N-O 2.71Å
129	T	82.7	Confident	82.6	Confident	0 Å²	0	30.4 Å²	30.4	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	155.2	165	69.1	0	0	0	0	111.5	V34 T35 K42 G131 V139	V34-T129 PolarHBondContact O-N 3.34Å; T35-T129 VanDerWaalsContact CB-OG1 3.29Å; T35-T129 WeakPolarHBondContact CB-OG1 3.3Å; T35-T129 PolarHBondContact OG1-OG1 3.27Å; T35-T129 VanDerWaalsContact OG1-OG1 3.05Å; K42-T129 WeakPolarHBondContact CE-O 3.16Å; T129-G131 PolarHBondContact O-N 2.86Å; T129-V139 HydrophobicContact CG2-CB 3.87Å; T129-V139 HydrophobicContact CG2-CG1 4.3Å; T129-V139 HydrophobicContact CG2-CG2 3.42Å; T129-V139 VanDerWaalsContact CG2-CG2 3.42Å
130	V	66.8	Low	82.2	Confident	48 Å²	48	29.3 Å²	29.3	29%	0.291	18%	0.182	S	C	.	.			trans	-74.4	-10.9	-175.8	-156.7	0	0	0	0	113	K42 V65 D66 V132	K42-V130 PolarHBondContact NZ-O 2.94Å; V65-V130 WeakPolarHBondContact O-CG2 3.45Å; D66-V130 HydrophobicContact CB-CG2 4.04Å; V130-V132 HydrophobicContact CB-CG2 4.27Å; V130-V132 HydrophobicContact CG1-CG2 4.38Å
131	G	58.5	Low	81.8	Confident	16 Å²	16	33.1 Å²	33.1	17%	0.165	18%	0.183	C	C	.	.	S	Bend	trans	78.1	21.1	177.6	0	0	0	0	0	114.9	G36 T129 E136	G36-G131 WeakPolarHBondContact O-CA 3.19Å; T129-G131 PolarHBondContact O-N 2.86Å; G131-E136 VanDerWaalsContact CA-OE1 3.24Å; G131-E136 WeakPolarHBondContact CA-OE1 3.4Å
132	V	54.1	Low	81.4	Confident	87 Å²	87	31.5 Å²	31.5	53%	0.527	16%	0.164	S	C	.	.	S	Bend	trans	-134.9	82	175.8	-74.2	0	0	0	0	109.7	P38 V130 E136	P38-V132 HydrophobicContact CG-CG1 4.18Å; V130-V132 HydrophobicContact CB-CG2 4.27Å; V130-V132 HydrophobicContact CG1-CG2 4.38Å; V132-E136 PolarHBondContact N-OE1 3.49Å
133	G	56.9	Low	81.3	Confident	15 Å²	15	29.6 Å²	29.6	16%	0.155	16%	0.157	C	C	.	.	S	Bend	trans	163.7	-153.2	170	0	0	0	0	0	116.2	E136 K162	G133-E136 PolarHBondContact N-OE1 3.31Å; G133-E136 VanDerWaalsContact N-OE1 3.08Å; G133-E136 PolarHBondContact N-OE2 2.86Å; G133-K162 PolarHBondContact O-NZ 3.34Å
134	Q	61.3	Low	81.1	Confident	109 Å²	109	26.3 Å²	26.3	51%	0.509	14%	0.139	S	C	.	.	S	Bend	trans	-95.5	-7.9	171.3	-70.5	-69.9	-10.7	0	0	112.1	L103 E136 T137	L103-Q134 HydrophobicContact CD2-CB 4.05Å; Q134-E136 PolarHBondContact O-N 3.45Å; Q134-T137 PolarHBondContact O-N 2.89Å
135	S	69.3	Low	81.1	Confident	2 Å²	2	26.2 Å²	26.2	1%	0.014	14%	0.138	C	C	.	.	H	α-helix	trans	-61.3	-29.2	-177.5	51.5	0	0	0	0	113.4	E138 V139	S135-E138 PolarHBondContact O-N 3.22Å; S135-V139 WeakPolarHBondContact O-CB 3.38Å; S135-V139 WeakPolarHBondContact O-CG2 3.31Å; S135-V139 PolarHBondContact O-N 3.35Å
136	E	77.2	Confident	80.9	Confident	7 Å²	7	26.2 Å²	26.2	3%	0.033	14%	0.138	C	C	.	.	H	α-helix	trans	-65.5	-45.3	-175.2	-64.1	88.7	139.9	0	0	110.5	T35 G131 V132 G133 Q134 E138 V139 A140 F146 L165	T35-E136 VanDerWaalsContact OG1-CG 3.32Å; T35-E136 WeakPolarHBondContact OG1-CG 3.47Å; G131-E136 VanDerWaalsContact CA-OE1 3.24Å; G131-E136 WeakPolarHBondContact CA-OE1 3.4Å; V132-E136 PolarHBondContact N-OE1 3.49Å; G133-E136 PolarHBondContact N-OE1 3.31Å; G133-E136 VanDerWaalsContact N-OE1 3.08Å; G133-E136 PolarHBondContact N-OE2 2.86Å; Q134-E136 PolarHBondContact O-N 3.45Å; E136-E138 VanDerWaalsContact C-N 3.34Å; E136-V139 PolarHBondContact O-N 3.05Å; E136-A140 VanDerWaalsContact O-CB 3.27Å; E136-A140 WeakPolarHBondContact O-CB 3.41Å; E136-A140 PolarHBondContact O-N 2.94Å; E136-F146 HydrophobicContact CB-CZ 4.18Å; E136-F146 WeakPolarHBondContact O-CZ 3.41Å; E136-L165 HydrophobicContact CB-CD1 3.55Å; E136-L165 HydrophobicContact CG-CD1 3.77Å
137	T	78.3	Confident	80.8	Confident	41 Å²	41	26.2 Å²	26.2	25%	0.252	14%	0.138	S	C	.	.	H	α-helix	trans	-66.6	-38	177.2	-45.7	0	0	0	0	111.1	Q134 R141	Q134-T137 PolarHBondContact O-N 2.89Å; T137-R141 VanDerWaalsContact O-CG 3.3Å; T137-R141 WeakPolarHBondContact O-CG 3.44Å; T137-R141 PolarHBondContact O-N 3.21Å
138	E	80.4	Confident	80.7	Confident	44 Å²	44	26.3 Å²	26.3	21%	0.206	14%	0.139	C	C	.	.	H	α-helix	trans	-68.9	-43.4	177.4	-65.8	-160.4	133.2	0	0	112.2	S107 S135 E136 R141 M142 K255	S107-E138 WeakPolarHBondContact CB-OE2 3.49Å; S107-E138 WeakPolarHBondContact OG-CB 3.22Å; S107-E138 PolarHBondContact OG-OE2 3.1Å; S135-E138 PolarHBondContact O-N 3.22Å; E136-E138 VanDerWaalsContact C-N 3.34Å; E138-R141 PolarHBondContact O-N 3.38Å; E138-M142 PolarHBondContact O-N 3.37Å; E138-K255 IonicContact OE1-NZ 3.43Å; E138-K255 PolarHBondContact OE1-NZ 3Å
139	V	87	Confident	80.8	Confident	0 Å²	0	25.6 Å²	25.6	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-64.3	-43.3	175.3	172.5	0	0	0	0	110.7	V127 T129 S135 E136 R141 M142 V143 F146	V127-V139 HydrophobicContact CB-CG1 3.9Å; V127-V139 HydrophobicContact CG1-CB 4.5Å; V127-V139 HydrophobicContact CG1-CG1 3.78Å; V127-V139 HydrophobicContact CG1-CG2 3.81Å; T129-V139 HydrophobicContact CG2-CB 3.87Å; T129-V139 HydrophobicContact CG2-CG1 4.3Å; T129-V139 HydrophobicContact CG2-CG2 3.42Å; T129-V139 VanDerWaalsContact CG2-CG2 3.42Å; S135-V139 WeakPolarHBondContact O-CB 3.38Å; S135-V139 WeakPolarHBondContact O-CG2 3.31Å; S135-V139 PolarHBondContact O-N 3.35Å; E136-V139 PolarHBondContact O-N 3.05Å; V139-R141 PolarHBondContact O-N 2.84Å; V139-R141 VanDerWaalsContact O-N 3.11Å; V139-M142 HydrophobicContact CB-CE 4.44Å; V139-M142 HydrophobicContact CG2-CE 3.95Å; V139-M142 WeakPolarHBondContact O-CG 3.49Å; V139-M142 PolarHBondContact O-N 2.91Å; V139-V143 HydrophobicContact CG1-CG1 4.12Å; V139-V143 WeakPolarHBondContact O-CG2 3.3Å; V139-V143 PolarHBondContact O-N 3.26Å; V139-F146 HydrophobicContact CB-CE2 4.21Å; V139-F146 HydrophobicContact CG1-CD2 4.38Å; V139-F146 HydrophobicContact CG1-CE2 3.91Å
140	A	88.3	Confident	81.1	Confident	9 Å²	9	26.1 Å²	26.1	7%	0.074	14%	0.138	C	C	.	.	H	α-helix	trans	-57	-29	175.7	0	0	0	0	0	113	E136 F146 V168	E136-A140 VanDerWaalsContact O-CB 3.27Å; E136-A140 WeakPolarHBondContact O-CB 3.41Å; E136-A140 PolarHBondContact O-N 2.94Å; A140-F146 HydrophobicContact CB-CB 4.25Å; A140-F146 HydrophobicContact CB-CD1 3.9Å; A140-F146 HydrophobicContact CB-CD2 3.71Å; A140-F146 HydrophobicContact CB-CE1 4.12Å; A140-F146 HydrophobicContact CB-CE2 3.96Å; A140-F146 HydrophobicContact CB-CG 3.69Å; A140-F146 HydrophobicContact CB-CZ 4.15Å; A140-V168 HydrophobicContact CB-CB 3.93Å; A140-V168 HydrophobicContact CB-CG2 3.95Å
141	R	86.7	Confident	82.1	Confident	145 Å²	145	25.8 Å²	25.8	55%	0.547	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.8	-4.2	176	-69.5	177.9	-169.5	-167.5	6.3	114.5	T137 E138 V139 Q248	T137-R141 VanDerWaalsContact O-CG 3.3Å; T137-R141 WeakPolarHBondContact O-CG 3.44Å; T137-R141 PolarHBondContact O-N 3.21Å; E138-R141 PolarHBondContact O-N 3.38Å; V139-R141 PolarHBondContact O-N 2.84Å; V139-R141 VanDerWaalsContact O-N 3.11Å; R141-Q248 WeakPolarHBondContact O-CG 3.34Å; R141-Q248 PolarHBondContact O-NE2 3.09Å
142	M	88.7	Confident	83.4	Confident	8 Å²	8	25.7 Å²	25.7	4%	0.039	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.8	-10.5	177.3	79.3	-178.6	74.7	0	0	114.1	S107 A110 R111 E138 V139	S107-M142 WeakPolarHBondContact O-CE 3.3Å; A110-M142 HydrophobicContact CB-SD 4.36Å; R111-M142 HydrophobicContact CB-SD 4.1Å; E138-M142 PolarHBondContact O-N 3.37Å; V139-M142 HydrophobicContact CB-CE 4.44Å; V139-M142 HydrophobicContact CG2-CE 3.95Å; V139-M142 WeakPolarHBondContact O-CG 3.49Å; V139-M142 PolarHBondContact O-N 2.91Å
143	V	94.4	Very high	84.3	Confident	2 Å²	2	24.4 Å²	24.4	1%	0.012	14%	0.136	C	C	.	.	S	Bend	trans	-106	166.8	-177.8	-59.8	0	0	0	0	111.9	R31 V127 V139 F146 Q248	R31-V143 HydrophobicContact CB-CB 4.14Å; R31-V143 HydrophobicContact CB-CG1 4.37Å; V127-V143 HydrophobicContact CB-CG1 4.4Å; V127-V143 HydrophobicContact CG2-CG1 4.26Å; V139-V143 HydrophobicContact CG1-CG1 4.12Å; V139-V143 WeakPolarHBondContact O-CG2 3.3Å; V139-V143 PolarHBondContact O-N 3.26Å; V143-F146 HydrophobicContact CG2-CB 4.26Å; V143-F146 HydrophobicContact CG2-CD2 4.03Å; V143-Q248 PolarHBondContact O-NE2 3.12Å
144	D	95.7	Very high	84.3	Confident	3 Å²	3	25.8 Å²	25.8	2%	0.016	15%	0.15	C	C	.	.	S	Bend	trans	-82.1	-44	176.3	-55.1	-46.6	0	0	0	111	L30 R31 F231 L241 R245	L30-D144 HydrophobicContact CD1-CB 4.24Å; R31-D144 WeakPolarHBondContact CB-OD2 3.44Å; R31-D144 PolarHBondContact N-OD2 3.49Å; R31-D144 WeakPolarHBondContact O-CB 3.14Å; R31-D144 PolarHBondContact O-N 2.77Å; D144-F231 WeakPolarHBondContact O-CE1 3.34Å; D144-F231 VanDerWaalsContact O-CZ 3.3Å; D144-F231 WeakPolarHBondContact O-CZ 3.47Å; D144-L241 HydrophobicContact CB-CD1 3.8Å; D144-R245 VanDerWaalsContact CG-NH2 3.32Å; D144-R245 IonicContact OD1-CZ 2.9Å; D144-R245 IonicContact OD1-NE 3.26Å; D144-R245 PolarHBondContact OD1-NE 3.23Å; D144-R245 IonicContact OD1-NH2 3.42Å; D144-R245 PolarHBondContact OD1-NH2 2.76Å; D144-R245 IonicContact OD2-CZ 3.92Å; D144-R245 IonicContact OD2-NE 2.67Å; D144-R245 IonicContact OD2-NH2 3.6Å; D144-R245 PolarHBondContact OD2-NH2 3.38Å
145	C	96.5	Very high	83.7	Confident	0 Å²	0	23 Å²	23	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	123.4	-174.8	175.9	0	0	0	0	109.8	R31 L32 G33 D170 L171 F231	R31-C145 PolarHBondContact O-N 2.86Å; L32-C145 WeakPolarHBondContact CA-O 3.5Å; L32-C145 HydrophobicContact CD2-CB 3.71Å; G33-C145 PolarHBondContact N-O 2.75Å; C145-D170 WeakPolarHBondContact CA-OD2 3.41Å; C145-L171 WeakPolarHBondContact SG-CD1 3.2Å; C145-F231 HydrophobicContact CB-CD1 3.79Å; C145-F231 HydrophobicContact CB-CE1 3.67Å; C145-F231 HydrophobicContact CB-CZ 4.41Å
146	F	95	Very high	82.8	Confident	0 Å²	0	28.7 Å²	28.7	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	120	-178.2	-164.3	-110.6	0	0	0	111.1	T35 E136 V139 A140 V143 V168 D170 L171	T35-F146 HydrophobicContact CG2-CE1 3.5Å; T35-F146 HydrophobicContact CG2-CE2 4.41Å; T35-F146 HydrophobicContact CG2-CZ 3.43Å; T35-F146 VanDerWaalsContact CG2-CZ 3.43Å; E136-F146 HydrophobicContact CB-CZ 4.18Å; E136-F146 WeakPolarHBondContact O-CZ 3.41Å; V139-F146 HydrophobicContact CB-CE2 4.21Å; V139-F146 HydrophobicContact CG1-CD2 4.38Å; V139-F146 HydrophobicContact CG1-CE2 3.91Å; A140-F146 HydrophobicContact CB-CB 4.25Å; A140-F146 HydrophobicContact CB-CD1 3.9Å; A140-F146 HydrophobicContact CB-CD2 3.71Å; A140-F146 HydrophobicContact CB-CE1 4.12Å; A140-F146 HydrophobicContact CB-CE2 3.96Å; A140-F146 HydrophobicContact CB-CG 3.69Å; A140-F146 HydrophobicContact CB-CZ 4.15Å; V143-F146 HydrophobicContact CG2-CB 4.26Å; V143-F146 HydrophobicContact CG2-CD2 4.03Å; F146-V168 HydrophobicContact CD1-CG2 4.02Å; F146-V168 HydrophobicContact CE1-CG2 4.04Å; F146-D170 PolarHBondContact N-OD2 2.97Å; F146-D170 PolarHBondContact O-N 2.99Å; F146-L171 PolarHBondContact O-N 2.87Å
147	I	95.3	Very high	81.6	Confident	0 Å²	0	29.9 Å²	29.9	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	123.6	-174.6	-51.8	172.2	0	0	0	108.5	G33 V34 T35 L149 L171 V173 I228	G33-I147 PolarHBondContact O-N 3.03Å; V34-I147 WeakPolarHBondContact CA-O 3.36Å; V34-I147 HydrophobicContact CG2-CB 4.31Å; V34-I147 HydrophobicContact CG2-CD1 4.22Å; T35-I147 PolarHBondContact N-O 2.98Å; I147-L149 HydrophobicContact CG2-CD1 4.37Å; I147-L171 WeakPolarHBondContact CA-O 3.38Å; I147-V173 HydrophobicContact CG2-CB 4.41Å; I147-V173 HydrophobicContact CG2-CG2 3.74Å; I147-I228 HydrophobicContact CD1-CD1 3.65Å; I147-I228 HydrophobicContact CD1-CG1 4.29Å
148	S	91.8	Very high	80.5	Confident	2 Å²	2	31.9 Å²	31.9	1%	0.014	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	110.7	172.8	-173.3	0	0	0	0	110.2	Q150 L165 L171 I172 V173	S148-Q150 PolarHBondContact OG-NE2 3.43Å; S148-L165 VanDerWaalsContact OG-CD2 3.29Å; S148-L165 WeakPolarHBondContact OG-CD2 3.38Å; S148-L171 PolarHBondContact N-O 3.33Å; S148-I172 WeakPolarHBondContact O-CA 3.44Å; S148-V173 PolarHBondContact O-N 3.46Å
149	L	91.2	Very high	79	Confident	0 Å²	0	37.3 Å²	37.3	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	133	168.2	-96.1	94.8	0	0	0	111.3	V34 T35 G36 A40 K42 F45 I147 V173 N175	V34-L149 HydrophobicContact CG1-CD1 3.59Å; T35-L149 WeakPolarHBondContact O-CB 3.05Å; T35-L149 PolarHBondContact O-N 3.18Å; G36-L149 WeakPolarHBondContact CA-O 3.49Å; A40-L149 HydrophobicContact CB-CB 4.36Å; K42-L149 HydrophobicContact CG-CB 4.45Å; F45-L149 HydrophobicContact CB-CD2 3.69Å; F45-L149 HydrophobicContact CD1-CD1 3.52Å; F45-L149 HydrophobicContact CD1-CD2 4.23Å; F45-L149 HydrophobicContact CD1-CG 4.47Å; F45-L149 HydrophobicContact CD2-CD1 4.48Å; F45-L149 HydrophobicContact CD2-CD2 4.31Å; F45-L149 HydrophobicContact CE1-CD1 3.76Å; F45-L149 HydrophobicContact CG-CD1 3.91Å; F45-L149 HydrophobicContact CG-CD2 3.81Å; F45-L149 HydrophobicContact CG-CG 4.42Å; F45-L149 HydrophobicContact CZ-CD1 4.35Å; I147-L149 HydrophobicContact CG2-CD1 4.37Å; L149-V173 CarbonylContact C-O 3.57Å; L149-V173 WeakPolarHBondContact CA-O 3.36Å; L149-V173 HydrophobicContact CG-CB 4.4Å; L149-V173 HydrophobicContact CG-CG1 4.48Å; L149-N175 HydrophobicContact CD2-CB 3.95Å
150	Q	89	Confident	77.2	Confident	11 Å²	11	39.9 Å²	39.9	5%	0.051	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	165.4	178.7	-60.2	-57.3	-21.4	0	0	110.8	S148 I161 I172 V173 I174 N175 Y192	S148-Q150 PolarHBondContact OG-NE2 3.43Å; Q150-I161 HydrophobicContact CG-CD1 4.21Å; Q150-I172 HydrophobicContact CG-CG2 3.88Å; Q150-V173 PolarHBondContact N-O 2.75Å; Q150-I174 HydrophobicContact CB-CG1 4.45Å; Q150-I174 WeakPolarHBondContact O-CA 3.22Å; Q150-N175 PolarHBondContact O-N 3.47Å; Q150-Y192 HydrophobicContact CB-CE2 4.28Å; Q150-Y192 HydrophobicContact CG-CE2 4.29Å
151	I	88	Confident	75.7	Confident	41 Å²	41	40.1 Å²	40.1	21%	0.21	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	152.1	171.4	51.8	168.2	0	0	0	109.2	A40 K176	A40-I151 HydrophobicContact CB-CG2 4.12Å; I151-K176 HydrophobicContact CG2-CD 4.18Å; I151-K176 HydrophobicContact CG2-CG 4.47Å
152	A	86.7	Confident	74.3	Confident	13 Å²	13	38.5 Å²	38.5	11%	0.107	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.5	144.5	172.5	0	0	0	0	0	111.6	G154 I174 N184 V185 A188	A152-G154 VanDerWaalsContact C-N 3.33Å; A152-I174 HydrophobicContact CB-CG2 4.46Å; A152-N184 VanDerWaalsContact CB-C 3.47Å; A152-N184 HydrophobicContact CB-CB 3.77Å; A152-N184 WeakPolarHBondContact CB-O 3.3Å; A152-V185 HydrophobicContact CB-CB 4.41Å; A152-V185 HydrophobicContact CB-CG2 3.79Å; A152-A188 HydrophobicContact CB-CB 3.99Å
153	G	73.4	Confident	73	Confident	60 Å²	60	46.1 Å²	46.1	62%	0.619	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.8	20.5	177.9	0	0	0	0	0	113.6	G155 D157	G153-G155 PolarHBondContact O-N 3.16Å; G153-G155 VanDerWaalsContact O-N 3.09Å; G153-D157 PolarHBondContact N-OD1 3.34Å
154	G	55.7	Low	71.7	Confident	44 Å²	44	47.8 Å²	47.8	45%	0.454	30%	0.295	S	S	.	.	S	Bend	trans	-83.2	37.6	-174.9	0	0	0	0	0	113.8	A152 D157	A152-G154 VanDerWaalsContact C-N 3.33Å; G154-D157 PolarHBondContact N-OD1 3.31Å
155	G	48.7	Very low	70.7	Confident	50 Å²	50	48.7 Å²	48.7	52%	0.515	30%	0.3	S	S	.	.	S	Bend	trans	67.3	131.4	-173.9	0	0	0	0	0	112.4	G153 D157	G153-G155 PolarHBondContact O-N 3.16Å; G153-G155 VanDerWaalsContact O-N 3.09Å; G155-D157 VanDerWaalsContact O-CA 3.29Å; G155-D157 WeakPolarHBondContact O-CA 3.39Å; G155-D157 PolarHBondContact O-N 3.18Å
156	D	50.8	Low	69.9	Low	123 Å²	123	49.5 Å²	49.5	66%	0.658	30%	0.304	S	S	*	.	S	Bend	trans	10.7	77.4	-176	-137.4	9.4	0	0	0	112.8	L158 Q159	D156-L158 CarbonylContact O-C 3.49Å; D156-L158 PolarHBondContact O-N 3.16Å; D156-Q159 HydrophobicContact CB-CB 4.19Å; D156-Q159 WeakPolarHBondContact O-CB 3.35Å; D156-Q159 PolarHBondContact O-N 3.48Å
157	D	52.4	Low	69.2	Low	32 Å²	32	54.7 Å²	54.7	17%	0.171	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55	-12.7	-148.6	-69.1	-55.2	0	0	0	115.8	G153 G154 G155 M191 Y192	G153-D157 PolarHBondContact N-OD1 3.34Å; G154-D157 PolarHBondContact N-OD1 3.31Å; G155-D157 VanDerWaalsContact O-CA 3.29Å; G155-D157 WeakPolarHBondContact O-CA 3.39Å; G155-D157 PolarHBondContact O-N 3.18Å; D157-M191 HydrophobicContact CB-CE 4.04Å; D157-Y192 PolarHBondContact O-OH 3.36Å
158	L	54.1	Low	68.7	Low	83 Å²	83	56.1 Å²	56.1	44%	0.435	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.1	-30	173	-99.8	139.5	0	0	0	114.5	D156 M166 M191 A195	D156-L158 CarbonylContact O-C 3.49Å; D156-L158 PolarHBondContact O-N 3.16Å; L158-M166 HydrophobicContact CD2-SD 4.47Å; L158-M191 HydrophobicContact CD1-CE 3.94Å; L158-A195 HydrophobicContact CD2-CB 4.03Å
159	Q	49.5	Very low	68.6	Low	158 Å²	158	56.1 Å²	56.1	74%	0.738	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.9	-24.9	-173.9	-138.2	172	21.5	0	0	112.4	D156 I161	D156-Q159 HydrophobicContact CB-CB 4.19Å; D156-Q159 WeakPolarHBondContact O-CB 3.35Å; D156-Q159 PolarHBondContact O-N 3.48Å; Q159-I161 VanDerWaalsContact C-N 3.27Å; Q159-I161 PolarHBondContact O-N 3.4Å
160	G	50.1	Low	68.8	Low	53 Å²	53	56.1 Å²	56.1	55%	0.546	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-17.1	175.2	0	0	0	0	0	114.4
161	I	55.2	Low	69.1	Low	14 Å²	14	55.6 Å²	55.6	7%	0.072	34%	0.335	C	S	.	.	S	Bend	trans	-95.2	115.4	173.1	-69.6	159.1	0	0	0	109.4	Q150 Q159 K163 L165 M166 Y192	Q150-I161 HydrophobicContact CG-CD1 4.21Å; Q159-I161 VanDerWaalsContact C-N 3.27Å; Q159-I161 PolarHBondContact O-N 3.4Å; I161-K163 PolarHBondContact O-N 2.8Å; I161-K163 VanDerWaalsContact O-N 3.13Å; I161-L165 HydrophobicContact CG2-CB 3.88Å; I161-L165 HydrophobicContact CG2-CD2 4.18Å; I161-M166 HydrophobicContact CB-CG 4.41Å; I161-M166 HydrophobicContact CG2-CB 4.43Å; I161-M166 HydrophobicContact CG2-CG 3.52Å; I161-Y192 HydrophobicContact CD1-CD1 4.25Å; I161-Y192 HydrophobicContact CD1-CE1 3.12Å; I161-Y192 WeakPolarHBondContact CD1-OH 3.48Å
162	K	58.8	Low	69.4	Low	112 Å²	112	53.8 Å²	53.8	49%	0.487	33%	0.325	S	S	.	.			trans	-50.8	124.2	166.7	-68.3	-175.9	-179.7	-178.7	0	107.9	G133 G164 L165	G133-K162 PolarHBondContact O-NZ 3.34Å; K162-G164 PolarHBondContact O-N 3.33Å; K162-L165 WeakPolarHBondContact O-CB 3.38Å; K162-L165 PolarHBondContact O-N 3.12Å
163	K	61.7	Low	69.8	Low	167 Å²	167	53.1 Å²	53.1	73%	0.726	32%	0.32	S	S	*	.	H	α-helix	trans	-43.4	-38.5	-178.6	-157.4	178.9	-178	-175.8	0	113	I161 L165	I161-K163 PolarHBondContact O-N 2.8Å; I161-K163 VanDerWaalsContact O-N 3.13Å; K163-L165 VanDerWaalsContact C-N 3.34Å; K163-L165 PolarHBondContact O-N 2.84Å
164	G	67.1	Low	70.8	Confident	37 Å²	37	50.3 Å²	50.3	38%	0.381	29%	0.291	S	S	.	.	H	α-helix	trans	-67.3	-22.6	177.2	0	0	0	0	0	116.1	K162	K162-G164 PolarHBondContact O-N 3.33Å
165	L	73.6	Confident	72.6	Confident	22 Å²	22	48.4 Å²	48.4	12%	0.115	27%	0.27	C	S	.	.	H	α-helix	trans	-76.4	-39	179.1	-158.5	108	0	0	0	111.8	T35 E136 S148 I161 K162 K163 E167 V168 A169	T35-L165 HydrophobicContact CG2-CD1 4.17Å; T35-L165 HydrophobicContact CG2-CD2 4.14Å; T35-L165 HydrophobicContact CG2-CG 4.49Å; E136-L165 HydrophobicContact CB-CD1 3.55Å; E136-L165 HydrophobicContact CG-CD1 3.77Å; S148-L165 VanDerWaalsContact OG-CD2 3.29Å; S148-L165 WeakPolarHBondContact OG-CD2 3.38Å; I161-L165 HydrophobicContact CG2-CB 3.88Å; I161-L165 HydrophobicContact CG2-CD2 4.18Å; K162-L165 WeakPolarHBondContact O-CB 3.38Å; K162-L165 PolarHBondContact O-N 3.12Å; K163-L165 VanDerWaalsContact C-N 3.34Å; K163-L165 PolarHBondContact O-N 2.84Å; L165-E167 PolarHBondContact O-N 2.64Å; L165-V168 VanDerWaalsContact O-CG2 3.28Å; L165-V168 WeakPolarHBondContact O-CG2 3.43Å; L165-V168 PolarHBondContact O-N 2.67Å; L165-A169 PolarHBondContact O-N 3.43Å; L165-A169 VanDerWaalsContact O-N 3.13Å
166	M	79	Confident	74.8	Confident	17 Å²	17	49.9 Å²	49.9	8%	0.084	26%	0.262	C	S	.	.	H	α-helix	trans	-62	-33.3	174.8	-78.7	-156.6	68.6	0	0	112	L158 I161 V168 I172 Y192 A195 L196 L199	L158-M166 HydrophobicContact CD2-SD 4.47Å; I161-M166 HydrophobicContact CB-CG 4.41Å; I161-M166 HydrophobicContact CG2-CB 4.43Å; I161-M166 HydrophobicContact CG2-CG 3.52Å; M166-V168 VanDerWaalsContact C-N 3.27Å; M166-V168 PolarHBondContact O-N 3.41Å; M166-I172 HydrophobicContact CE-CD1 4.26Å; M166-Y192 HydrophobicContact CE-CD1 4.43Å; M166-A195 HydrophobicContact CE-CB 3.89Å; M166-A195 HydrophobicContact SD-CB 4.44Å; M166-L196 HydrophobicContact CE-CD2 3.65Å; M166-L196 HydrophobicContact CE-CG 3.79Å; M166-L199 HydrophobicContact CB-CD1 4.01Å; M166-L199 HydrophobicContact CE-CD1 3.7Å; M166-L199 HydrophobicContact SD-CD1 4.14Å
167	E	80.1	Confident	76.9	Confident	110 Å²	110	44.1 Å²	44.1	51%	0.514	23%	0.232	S	C	.	.	H	α-helix	trans	-72	-21.4	-179.6	-67	176.9	-171	0	0	113	L165	L165-E167 PolarHBondContact O-N 2.64Å
168	V	85.9	Confident	78.8	Confident	29 Å²	29	44.4 Å²	44.4	18%	0.176	23%	0.233	C	C	.	.	H	α-helix	trans	-105.1	-15.9	-178.4	-61.2	0	0	0	0	114.2	A140 F146 L165 M166 K202	A140-V168 HydrophobicContact CB-CB 3.93Å; A140-V168 HydrophobicContact CB-CG2 3.95Å; F146-V168 HydrophobicContact CD1-CG2 4.02Å; F146-V168 HydrophobicContact CE1-CG2 4.04Å; L165-V168 VanDerWaalsContact O-CG2 3.28Å; L165-V168 WeakPolarHBondContact O-CG2 3.43Å; L165-V168 PolarHBondContact O-N 2.67Å; M166-V168 VanDerWaalsContact C-N 3.27Å; M166-V168 PolarHBondContact O-N 3.41Å; V168-K202 PolarHBondContact O-NZ 3.48Å
169	A	90.5	Very high	80.6	Confident	2 Å²	2	43.3 Å²	43.3	2%	0.017	24%	0.242	C	C	.	.			trans	-70.5	126.4	-179.1	0	0	0	0	0	112.1	L165 I172	L165-A169 PolarHBondContact O-N 3.43Å; L165-A169 VanDerWaalsContact O-N 3.13Å; A169-I172 HydrophobicContact CB-CG1 4.28Å
170	D	94.9	Very high	82.5	Confident	1 Å²	1	43.6 Å²	43.6	1%	0.005	25%	0.248	C	C	.	.	S	Bend	trans	-89.4	-30.9	174.9	-57.4	-58.4	0	0	0	110.9	C145 F146 K202 Y203 W206 P208 F231	C145-D170 WeakPolarHBondContact CA-OD2 3.41Å; F146-D170 PolarHBondContact N-OD2 2.97Å; F146-D170 PolarHBondContact O-N 2.99Å; D170-K202 VanDerWaalsContact CG-NZ 3.31Å; D170-K202 WeakPolarHBondContact OD1-CD 3.31Å; D170-K202 IonicContact OD1-NZ 3.47Å; D170-K202 PolarHBondContact OD1-NZ 2.69Å; D170-K202 IonicContact OD2-NZ 2.92Å; D170-K202 PolarHBondContact OD2-NZ 3.19Å; D170-Y203 VanDerWaalsContact OD1-CE2 3.31Å; D170-Y203 WeakPolarHBondContact OD1-CE2 3.41Å; D170-W206 PolarHBondContact O-NE1 3.47Å; D170-P208 WeakPolarHBondContact O-CA 3.4Å; D170-F231 HydrophobicContact CB-CD2 4.16Å; D170-F231 HydrophobicContact CB-CE2 3.72Å; D170-F231 HydrophobicContact CB-CZ 4.13Å
171	L	95.6	Very high	84.4	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	141.9	170.5	-71.6	76.9	0	0	0	110.5	C145 F146 I147 S148 W206 L211 A227 I228	C145-L171 WeakPolarHBondContact SG-CD1 3.2Å; F146-L171 PolarHBondContact O-N 2.87Å; I147-L171 WeakPolarHBondContact CA-O 3.38Å; S148-L171 PolarHBondContact N-O 3.33Å; L171-W206 HydrophobicContact CD1-CZ2 4.48Å; L171-L211 HydrophobicContact CD2-CD1 4.14Å; L171-A227 HydrophobicContact CD2-CB 3.75Å; L171-I228 HydrophobicContact CD2-CG1 3.96Å
172	I	93.4	Very high	86.1	Confident	2 Å²	2	47.4 Å²	47.4	1%	0.01	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	128.5	166.5	-58.7	-175.4	0	0	0	107.9	S148 Q150 M166 A169 Y192 L196 R209 V210 L211	S148-I172 WeakPolarHBondContact O-CA 3.44Å; Q150-I172 HydrophobicContact CG-CG2 3.88Å; M166-I172 HydrophobicContact CE-CD1 4.26Å; A169-I172 HydrophobicContact CB-CG1 4.28Å; I172-Y192 HydrophobicContact CD1-CD1 4Å; I172-Y192 HydrophobicContact CD1-CG 4.38Å; I172-Y192 HydrophobicContact CG2-CD2 4.4Å; I172-Y192 HydrophobicContact CG2-CG 4.32Å; I172-L196 HydrophobicContact CD1-CD1 3.9Å; I172-L196 HydrophobicContact CD1-CD2 4.4Å; I172-L196 HydrophobicContact CD1-CG 4.35Å; I172-L196 HydrophobicContact CG1-CD1 4.45Å; I172-R209 PolarHBondContact N-O 2.86Å; I172-V210 HydrophobicContact CB-CG1 4.33Å; I172-V210 HydrophobicContact CB-CG2 4.39Å; I172-V210 HydrophobicContact CG2-CG1 4.26Å; I172-V210 CarbonylContact O-C 3.56Å; I172-V210 WeakPolarHBondContact O-CA 3.45Å; I172-L211 PolarHBondContact O-N 2.85Å
173	V	95.3	Very high	87.7	Confident	0 Å²	0	46.5 Å²	46.5	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	115.9	-179.9	175.7	0	0	0	0	109.1	I147 S148 L149 Q150 L211 C213 I224	I147-V173 HydrophobicContact CG2-CB 4.41Å; I147-V173 HydrophobicContact CG2-CG2 3.74Å; S148-V173 PolarHBondContact O-N 3.46Å; L149-V173 CarbonylContact C-O 3.57Å; L149-V173 WeakPolarHBondContact CA-O 3.36Å; L149-V173 HydrophobicContact CG-CB 4.4Å; L149-V173 HydrophobicContact CG-CG1 4.48Å; Q150-V173 PolarHBondContact N-O 2.75Å; V173-L211 CarbonylContact C-O 3.56Å; V173-L211 WeakPolarHBondContact CA-O 3.17Å; V173-C213 HydrophobicContact CG1-CB 4.46Å; V173-C213 WeakPolarHBondContact CG1-SG 3.27Å; V173-I224 HydrophobicContact CB-CD1 4.38Å; V173-I224 HydrophobicContact CG1-CD1 3.53Å; V173-I224 HydrophobicContact CG1-CG1 4.49Å; V173-I224 HydrophobicContact CG2-CD1 3.87Å; V173-I224 HydrophobicContact CG2-CG1 4.06Å; V173-I224 HydrophobicContact CG2-CG2 4.3Å
174	I	94	Very high	89.1	Confident	0 Å²	0	42.4 Å²	42.4	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	107.5	174	-47.4	-177.6	0	0	0	108.2	Q150 A152 V185 A188 R189 Y192 V210 L211 T212 C213	Q150-I174 HydrophobicContact CB-CG1 4.45Å; Q150-I174 WeakPolarHBondContact O-CA 3.22Å; A152-I174 HydrophobicContact CB-CG2 4.46Å; I174-V185 HydrophobicContact CB-CG1 4.14Å; I174-V185 HydrophobicContact CG2-CB 4.38Å; I174-V185 HydrophobicContact CG2-CG1 3.84Å; I174-V185 HydrophobicContact CG2-CG2 4.12Å; I174-A188 VanDerWaalsContact CD1-C 3.45Å; I174-A188 HydrophobicContact CD1-CB 3.77Å; I174-R189 HydrophobicContact CD1-CB 3.85Å; I174-Y192 HydrophobicContact CD1-CD2 3.73Å; I174-Y192 HydrophobicContact CD1-CE2 4.19Å; I174-Y192 HydrophobicContact CG1-CD2 4.31Å; I174-V210 HydrophobicContact CD1-CG1 4.07Å; I174-V210 HydrophobicContact CG1-CG1 4.21Å; I174-L211 PolarHBondContact N-O 3.46Å; I174-T212 HydrophobicContact CB-CG2 4.34Å; I174-T212 VanDerWaalsContact O-CA 3.29Å; I174-T212 WeakPolarHBondContact O-CA 3.12Å; I174-C213 PolarHBondContact O-N 3.28Å
175	N	94.8	Very high	90.4	Very high	4 Å²	4	40.7 Å²	40.7	2%	0.021	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	170.8	-177.8	-167.3	24.6	0	0	0	111.4	A40 L149 Q150 D177 C213 A215	A40-N175 PolarHBondContact O-ND2 3.1Å; L149-N175 HydrophobicContact CD2-CB 3.95Å; Q150-N175 PolarHBondContact O-N 3.47Å; N175-D177 VanDerWaalsContact C-N 3.33Å; N175-C213 CarbonylContact C-O 3.46Å; N175-C213 VanDerWaalsContact CA-O 3.31Å; N175-C213 WeakPolarHBondContact CA-O 3.43Å; N175-C213 PolarHBondContact OD1-O 2.88Å; N175-C213 PolarHBondContact OD1-SG 2.98Å; N175-C213 VanDerWaalsContact OD1-SG 3.36Å; N175-A215 WeakPolarHBondContact OD1-CB 3.48Å; N175-A215 PolarHBondContact OD1-N 2.85Å
176	K	94.2	Very high	91.2	Very high	81 Å²	81	42 Å²	42	35%	0.352	24%	0.239	S	C	.	.			trans	64.1	37.2	-177.4	-47.7	-176.2	-174.6	177.5	0	112.9	G39 I151 D178 N181 C213	G39-K176 VanDerWaalsContact O-CE 3.24Å; G39-K176 WeakPolarHBondContact O-CE 3.36Å; G39-K176 PolarHBondContact O-NZ 3.49Å; I151-K176 HydrophobicContact CG2-CD 4.18Å; I151-K176 HydrophobicContact CG2-CG 4.47Å; K176-D178 PolarHBondContact O-N 2.79Å; K176-N181 PolarHBondContact O-ND2 3.13Å; K176-C213 PolarHBondContact N-O 2.94Å
177	D	95.5	Very high	91.8	Very high	2 Å²	2	45.6 Å²	45.6	1%	0.011	26%	0.257	C	S	.	.			trans	-69.9	74.1	162.6	-173.9	17.1	0	0	0	108.8	N175 H182 V185 C213 R219	N175-D177 VanDerWaalsContact C-N 3.33Å; D177-H182 WeakPolarHBondContact OD1-CA 3.28Å; D177-H182 IonicContact OD1-CE1 3.41Å; D177-H182 IonicContact OD1-CG 3.42Å; D177-H182 IonicContact OD1-ND1 2.67Å; D177-H182 PolarHBondContact OD1-ND1 3.14Å; D177-H182 IonicContact OD2-CE1 3.52Å; D177-H182 IonicContact OD2-ND1 3.44Å; D177-V185 HydrophobicContact CB-CB 4.48Å; D177-V185 HydrophobicContact CB-CG1 4.03Å; D177-V185 HydrophobicContact CB-CG2 4.39Å; D177-C213 WeakPolarHBondContact CB-O 3.3Å; D177-C213 PolarHBondContact N-O 2.82Å; D177-R219 VanDerWaalsContact CG-NH2 3.33Å; D177-R219 PolarHBondContact O-NH2 3.41Å; D177-R219 IonicContact OD1-NH2 3.69Å; D177-R219 IonicContact OD2-CZ 3.21Å; D177-R219 IonicContact OD2-NH1 2.87Å; D177-R219 PolarHBondContact OD2-NH1 3.11Å; D177-R219 IonicContact OD2-NH2 2.99Å; D177-R219 PolarHBondContact OD2-NH2 3.17Å
178	D	92.2	Very high	92.3	Very high	39 Å²	39	40.3 Å²	40.3	21%	0.209	23%	0.233	C	C	.	.			trans	-129.8	135.2	-171.9	-43.9	-21.4	0	0	0	108.8	K176 D180 N181 S214	K176-D178 PolarHBondContact O-N 2.79Å; D178-D180 PolarHBondContact O-N 2.97Å; D178-N181 VanDerWaalsContact O-CB 3.29Å; D178-N181 WeakPolarHBondContact O-CB 3.29Å; D178-N181 PolarHBondContact O-N 2.96Å; D178-S214 WeakPolarHBondContact OD1-CB 3.38Å; D178-S214 PolarHBondContact OD1-OG 2.71Å
179	G	90.8	Very high	92.7	Very high	59 Å²	59	43 Å²	43	61%	0.608	24%	0.24	S	C	*	.	G	3₁₀ helix	trans	45.5	-123.4	174.6	0	0	0	0	0	114.4	N181 H182	G179-N181 PolarHBondContact O-N 3.42Å; G179-H182 PolarHBondContact O-N 3.38Å
180	D	89.6	Confident	92.7	Very high	164 Å²	164	48.8 Å²	48.8	88%	0.877	27%	0.266	S	S	*	.	G	3₁₀ helix	trans	-70.4	-12.2	-176.9	-59.8	-27.1	0	0	0	113.7	D178 H182	D178-D180 PolarHBondContact O-N 2.97Å; D180-H182 PolarHBondContact O-N 3.5Å
181	N	90.3	Very high	92.4	Very high	45 Å²	45	51.7 Å²	51.7	24%	0.241	28%	0.28	C	S	.	.	G	3₁₀ helix	trans	-77.7	-9.9	-179.7	-158.4	40.2	0	0	0	113.1	K176 D178 G179 T183 N184 V185	K176-N181 PolarHBondContact O-ND2 3.13Å; D178-N181 VanDerWaalsContact O-CB 3.29Å; D178-N181 WeakPolarHBondContact O-CB 3.29Å; D178-N181 PolarHBondContact O-N 2.96Å; G179-N181 PolarHBondContact O-N 3.42Å; N181-T183 PolarHBondContact O-N 3.5Å; N181-N184 PolarHBondContact O-N 3.38Å; N181-N184 VanDerWaalsContact O-N 3.07Å; N181-N184 PolarHBondContact OD1-ND2 3.48Å; N181-N184 VanDerWaalsContact OD1-ND2 3.15Å; N181-V185 PolarHBondContact O-N 2.89Å
182	H	92.1	Very high	92.1	Very high	102 Å²	102	52 Å²	52	47%	0.472	28%	0.282	S	S	.	.	H	α-helix	trans	-51.2	-41.8	-179.2	-172.6	61.9	0	0	0	112.9	D177 G179 D180 V185 A186	D177-H182 WeakPolarHBondContact OD1-CA 3.28Å; D177-H182 IonicContact OD1-CE1 3.41Å; D177-H182 IonicContact OD1-CG 3.42Å; D177-H182 IonicContact OD1-ND1 2.67Å; D177-H182 PolarHBondContact OD1-ND1 3.14Å; D177-H182 IonicContact OD2-CE1 3.52Å; D177-H182 IonicContact OD2-ND1 3.44Å; G179-H182 PolarHBondContact O-N 3.38Å; D180-H182 PolarHBondContact O-N 3.5Å; H182-V185 PolarHBondContact O-N 3.32Å; H182-A186 WeakPolarHBondContact O-CB 3.45Å; H182-A186 PolarHBondContact O-N 3.49Å
183	T	91.1	Very high	91.9	Very high	94 Å²	94	54.7 Å²	54.7	58%	0.577	29%	0.294	S	S	*	.	H	α-helix	trans	-63.4	-45.9	179.1	-52.9	0	0	0	0	112.1	N181 V185 A186 I187	N181-T183 PolarHBondContact O-N 3.5Å; T183-V185 VanDerWaalsContact C-N 3.34Å; T183-V185 PolarHBondContact O-N 2.82Å; T183-A186 PolarHBondContact O-N 2.79Å; T183-I187 HydrophobicContact CG2-CD1 4.39Å; T183-I187 WeakPolarHBondContact O-CG1 3.09Å; T183-I187 PolarHBondContact O-N 2.9Å; T183-I187 VanDerWaalsContact O-N 3.09Å
184	N	91.8	Very high	91.6	Very high	81 Å²	81	57.5 Å²	57.5	43%	0.433	31%	0.314	S	S	.	.	H	α-helix	trans	-66.6	-39.9	179.6	-63.7	-30.1	0	0	0	110.9	A152 N181 A186 I187 A188	A152-N184 VanDerWaalsContact CB-C 3.47Å; A152-N184 HydrophobicContact CB-CB 3.77Å; A152-N184 WeakPolarHBondContact CB-O 3.3Å; N181-N184 PolarHBondContact O-N 3.38Å; N181-N184 VanDerWaalsContact O-N 3.07Å; N181-N184 PolarHBondContact OD1-ND2 3.48Å; N181-N184 VanDerWaalsContact OD1-ND2 3.15Å; N184-A186 VanDerWaalsContact C-N 3.34Å; N184-A186 PolarHBondContact O-N 3.09Å; N184-I187 PolarHBondContact O-N 3.38Å; N184-A188 WeakPolarHBondContact O-CB 3.39Å; N184-A188 PolarHBondContact O-N 2.98Å
185	V	92.9	Very high	91.2	Very high	1 Å²	1	58.1 Å²	58.1	1%	0.006	32%	0.319	C	S	.	.	H	α-helix	trans	-63.1	-40.8	176.3	170.9	0	0	0	0	111.5	A152 I174 D177 N181 H182 T183 A188 R189 T212	A152-V185 HydrophobicContact CB-CB 4.41Å; A152-V185 HydrophobicContact CB-CG2 3.79Å; I174-V185 HydrophobicContact CB-CG1 4.14Å; I174-V185 HydrophobicContact CG2-CB 4.38Å; I174-V185 HydrophobicContact CG2-CG1 3.84Å; I174-V185 HydrophobicContact CG2-CG2 4.12Å; D177-V185 HydrophobicContact CB-CB 4.48Å; D177-V185 HydrophobicContact CB-CG1 4.03Å; D177-V185 HydrophobicContact CB-CG2 4.39Å; N181-V185 PolarHBondContact O-N 2.89Å; H182-V185 PolarHBondContact O-N 3.32Å; T183-V185 VanDerWaalsContact C-N 3.34Å; T183-V185 PolarHBondContact O-N 2.82Å; V185-A188 PolarHBondContact O-N 2.86Å; V185-R189 VanDerWaalsContact O-CB 3.28Å; V185-R189 WeakPolarHBondContact O-CB 3.46Å; V185-R189 PolarHBondContact O-N 2.83Å; V185-T212 HydrophobicContact CG1-CG2 3.39Å
186	A	92.3	Very high	90.7	Very high	48 Å²	48	58.4 Å²	58.4	40%	0.397	32%	0.321	S	S	.	.	H	α-helix	trans	-62.9	-40.8	175.1	0	0	0	0	0	112.4	H182 T183 N184 R189 H190	H182-A186 WeakPolarHBondContact O-CB 3.45Å; H182-A186 PolarHBondContact O-N 3.49Å; T183-A186 PolarHBondContact O-N 2.79Å; N184-A186 VanDerWaalsContact C-N 3.34Å; N184-A186 PolarHBondContact O-N 3.09Å; A186-R189 PolarHBondContact O-N 3.44Å; A186-H190 PolarHBondContact O-N 2.86Å; A186-H190 VanDerWaalsContact O-N 3.12Å
187	I	91.4	Very high	90.2	Very high	93 Å²	93	61.5 Å²	61.5	48%	0.477	34%	0.336	S	S	.	.	H	α-helix	trans	-62.9	-52.2	175.4	-66.3	166.6	0	0	0	110.4	T183 N184 R189 H190 M191	T183-I187 HydrophobicContact CG2-CD1 4.39Å; T183-I187 WeakPolarHBondContact O-CG1 3.09Å; T183-I187 PolarHBondContact O-N 2.9Å; T183-I187 VanDerWaalsContact O-N 3.09Å; N184-I187 PolarHBondContact O-N 3.38Å; I187-R189 VanDerWaalsContact C-N 3.27Å; I187-R189 PolarHBondContact O-N 3.46Å; I187-H190 PolarHBondContact O-N 2.82Å; I187-H190 VanDerWaalsContact O-N 3.1Å; I187-M191 HydrophobicContact CG2-SD 4.13Å; I187-M191 WeakPolarHBondContact O-CG 3.43Å; I187-M191 PolarHBondContact O-N 3.36Å
188	A	90.5	Very high	89.6	Confident	0 Å²	0	68.5 Å²	68.5	0%	0	37%	0.372	C	S	.	.	H	α-helix	trans	-58.9	-41	179.7	0	0	0	0	0	111.3	A152 I174 N184 V185 H190 M191 Y192	A152-A188 HydrophobicContact CB-CB 3.99Å; I174-A188 VanDerWaalsContact CD1-C 3.45Å; I174-A188 HydrophobicContact CD1-CB 3.77Å; N184-A188 WeakPolarHBondContact O-CB 3.39Å; N184-A188 PolarHBondContact O-N 2.98Å; V185-A188 PolarHBondContact O-N 2.86Å; A188-H190 VanDerWaalsContact C-N 3.33Å; A188-H190 PolarHBondContact O-N 2.96Å; A188-M191 WeakPolarHBondContact O-CB 3.5Å; A188-M191 PolarHBondContact O-N 2.5Å; A188-Y192 WeakPolarHBondContact O-CD2 3.31Å; A188-Y192 PolarHBondContact O-N 3.25Å
189	R	93	Very high	88.9	Confident	85 Å²	85	69.5 Å²	69.5	32%	0.321	38%	0.377	S	S	.	.	H	α-helix	trans	-55.6	-49.5	175.1	-177.5	-171.7	175.9	146	-1.8	111.2	I174 V185 A186 I187 M191 Y192 E193 V210 T212	I174-R189 HydrophobicContact CD1-CB 3.85Å; V185-R189 VanDerWaalsContact O-CB 3.28Å; V185-R189 WeakPolarHBondContact O-CB 3.46Å; V185-R189 PolarHBondContact O-N 2.83Å; A186-R189 PolarHBondContact O-N 3.44Å; I187-R189 VanDerWaalsContact C-N 3.27Å; I187-R189 PolarHBondContact O-N 3.46Å; R189-M191 VanDerWaalsContact C-N 3.31Å; R189-M191 PolarHBondContact O-N 3.4Å; R189-Y192 PolarHBondContact O-N 3Å; R189-E193 HydrophobicContact CG-CG 4.41Å; R189-E193 IonicContact CZ-OE1 3.69Å; R189-E193 IonicContact NE-OE1 3.68Å; R189-E193 PolarHBondContact NE-OE1 2.79Å; R189-E193 IonicContact NH2-OE1 2.83Å; R189-E193 PolarHBondContact NH2-OE1 2.85Å; R189-E193 WeakPolarHBondContact O-CG 3.5Å; R189-E193 PolarHBondContact O-N 3.26Å; R189-V210 HydrophobicContact CB-CG1 4.4Å; R189-V210 HydrophobicContact CG-CB 4.25Å; R189-V210 HydrophobicContact CG-CG1 3.85Å; R189-V210 PolarHBondContact NH2-O 3.34Å; R189-T212 HydrophobicContact CB-CG2 4.15Å; R189-T212 HydrophobicContact CG-CG2 4.23Å
190	H	91.1	Very high	88.2	Confident	123 Å²	123	77.7 Å²	77.7	57%	0.569	39%	0.389	S	S	*	.	H	α-helix	trans	-66.5	-34.9	-177.7	-152.2	48.6	0	0	0	112.6	A186 I187 A188 E193 S194	A186-H190 PolarHBondContact O-N 2.86Å; A186-H190 VanDerWaalsContact O-N 3.12Å; I187-H190 PolarHBondContact O-N 2.82Å; I187-H190 VanDerWaalsContact O-N 3.1Å; A188-H190 VanDerWaalsContact C-N 3.33Å; A188-H190 PolarHBondContact O-N 2.96Å; H190-E193 IonicContact ND1-OE2 2.7Å; H190-S194 WeakPolarHBondContact O-CB 3.41Å; H190-S194 PolarHBondContact O-N 3.43Å; H190-S194 PolarHBondContact O-OG 2.77Å
191	M	88.6	Confident	87.9	Confident	62 Å²	62	75.1 Å²	75.1	31%	0.305	37%	0.367	S	S	.	.	H	α-helix	trans	-62.4	-47.1	173.5	-70.5	175.7	62.4	0	0	111.6	D157 L158 I187 A188 R189 S194 A195	D157-M191 HydrophobicContact CB-CE 4.04Å; L158-M191 HydrophobicContact CD1-CE 3.94Å; I187-M191 HydrophobicContact CG2-SD 4.13Å; I187-M191 WeakPolarHBondContact O-CG 3.43Å; I187-M191 PolarHBondContact O-N 3.36Å; A188-M191 WeakPolarHBondContact O-CB 3.5Å; A188-M191 PolarHBondContact O-N 2.5Å; R189-M191 VanDerWaalsContact C-N 3.31Å; R189-M191 PolarHBondContact O-N 3.4Å; M191-S194 PolarHBondContact O-N 3.09Å; M191-A195 PolarHBondContact O-N 2.68Å
192	Y	89	Confident	87.8	Confident	7 Å²	7	76.4 Å²	76.4	3%	0.027	37%	0.371	C	S	.	.	H	α-helix	trans	-65.9	-42.1	177.4	-76.5	-59.9	0	0	0	113.1	Q150 D157 I161 M166 I172 I174 A188 R189 S194 A195 L196	Q150-Y192 HydrophobicContact CB-CE2 4.28Å; Q150-Y192 HydrophobicContact CG-CE2 4.29Å; D157-Y192 PolarHBondContact O-OH 3.36Å; I161-Y192 HydrophobicContact CD1-CD1 4.25Å; I161-Y192 HydrophobicContact CD1-CE1 3.12Å; I161-Y192 WeakPolarHBondContact CD1-OH 3.48Å; M166-Y192 HydrophobicContact CE-CD1 4.43Å; I172-Y192 HydrophobicContact CD1-CD1 4Å; I172-Y192 HydrophobicContact CD1-CG 4.38Å; I172-Y192 HydrophobicContact CG2-CD2 4.4Å; I172-Y192 HydrophobicContact CG2-CG 4.32Å; I174-Y192 HydrophobicContact CD1-CD2 3.73Å; I174-Y192 HydrophobicContact CD1-CE2 4.19Å; I174-Y192 HydrophobicContact CG1-CD2 4.31Å; A188-Y192 WeakPolarHBondContact O-CD2 3.31Å; A188-Y192 PolarHBondContact O-N 3.25Å; R189-Y192 PolarHBondContact O-N 3Å; Y192-S194 VanDerWaalsContact C-N 3.29Å; Y192-S194 PolarHBondContact O-N 2.87Å; Y192-A195 PolarHBondContact O-N 2.96Å; Y192-L196 WeakPolarHBondContact O-CB 2.94Å; Y192-L196 WeakPolarHBondContact O-CG 3.15Å; Y192-L196 PolarHBondContact O-N 2.98Å
193	E	90.6	Very high	87.8	Confident	59 Å²	59	72.7 Å²	72.7	28%	0.276	35%	0.353	S	S	.	.	H	α-helix	trans	-59.1	-43.6	176.1	-73.9	173.2	167.9	0	0	110.7	R189 H190 L196 H197 V210	R189-E193 HydrophobicContact CG-CG 4.41Å; R189-E193 IonicContact CZ-OE1 3.69Å; R189-E193 IonicContact NE-OE1 3.68Å; R189-E193 PolarHBondContact NE-OE1 2.79Å; R189-E193 IonicContact NH2-OE1 2.83Å; R189-E193 PolarHBondContact NH2-OE1 2.85Å; R189-E193 WeakPolarHBondContact O-CG 3.5Å; R189-E193 PolarHBondContact O-N 3.26Å; H190-E193 IonicContact ND1-OE2 2.7Å; E193-L196 PolarHBondContact O-N 3.04Å; E193-H197 PolarHBondContact O-CD2 2.87Å; E193-H197 PolarHBondContact O-N 3.03Å; E193-H197 VanDerWaalsContact O-N 3.17Å; E193-V210 HydrophobicContact CB-CG2 4.44Å; E193-V210 HydrophobicContact CG-CB 3.76Å; E193-V210 HydrophobicContact CG-CG2 3.66Å
194	S	88.1	Confident	87.7	Confident	58 Å²	58	73.8 Å²	73.8	41%	0.406	36%	0.355	S	S	.	.	H	α-helix	trans	-63.9	-44.2	177.6	-59.5	0	0	0	0	112.1	H190 M191 Y192 H197	H190-S194 WeakPolarHBondContact O-CB 3.41Å; H190-S194 PolarHBondContact O-N 3.43Å; H190-S194 PolarHBondContact O-OG 2.77Å; M191-S194 PolarHBondContact O-N 3.09Å; Y192-S194 VanDerWaalsContact C-N 3.29Å; Y192-S194 PolarHBondContact O-N 2.87Å; S194-H197 PolarHBondContact O-N 2.58Å
195	A	84.9	Confident	87.7	Confident	14 Å²	14	73.1 Å²	73.1	12%	0.116	35%	0.349	C	S	.	.	H	α-helix	trans	-64.1	-43.2	178.4	0	0	0	0	0	112.2	L158 M166 M191 Y192 H197 I198 L199	L158-A195 HydrophobicContact CD2-CB 4.03Å; M166-A195 HydrophobicContact CE-CB 3.89Å; M166-A195 HydrophobicContact SD-CB 4.44Å; M191-A195 PolarHBondContact O-N 2.68Å; Y192-A195 PolarHBondContact O-N 2.96Å; A195-H197 PolarHBondContact O-N 3.23Å; A195-I198 PolarHBondContact O-N 2.89Å; A195-I198 VanDerWaalsContact O-N 3.11Å; A195-L199 WeakPolarHBondContact O-CG 3.19Å; A195-L199 PolarHBondContact O-N 3.35Å
196	L	85.2	Confident	87.8	Confident	10 Å²	10	74.2 Å²	74.2	5%	0.052	35%	0.353	C	S	.	.	H	α-helix	trans	-67.2	-21.6	178.1	-73.3	170.8	0	0	0	113.6	M166 I172 Y192 E193 I198 Q207 P208 V210	M166-L196 HydrophobicContact CE-CD2 3.65Å; M166-L196 HydrophobicContact CE-CG 3.79Å; I172-L196 HydrophobicContact CD1-CD1 3.9Å; I172-L196 HydrophobicContact CD1-CD2 4.4Å; I172-L196 HydrophobicContact CD1-CG 4.35Å; I172-L196 HydrophobicContact CG1-CD1 4.45Å; Y192-L196 WeakPolarHBondContact O-CB 2.94Å; Y192-L196 WeakPolarHBondContact O-CG 3.15Å; Y192-L196 PolarHBondContact O-N 2.98Å; E193-L196 PolarHBondContact O-N 3.04Å; L196-I198 VanDerWaalsContact C-N 3.32Å; L196-Q207 PolarHBondContact O-NE2 2.88Å; L196-P208 HydrophobicContact CD1-CB 4.08Å; L196-P208 HydrophobicContact CD2-CB 4.09Å; L196-P208 HydrophobicContact CD2-CG 4.44Å; L196-V210 HydrophobicContact CD1-CG2 3.52Å
197	H	83.5	Confident	87.7	Confident	146 Å²	146	74.3 Å²	74.3	68%	0.676	35%	0.346	S	S	*	.	H	α-helix	trans	-73.3	-24.2	172.9	-98.3	-62.6	0	0	0	113.4	E193 S194 A195	E193-H197 PolarHBondContact O-CD2 2.87Å; E193-H197 PolarHBondContact O-N 3.03Å; E193-H197 VanDerWaalsContact O-N 3.17Å; S194-H197 PolarHBondContact O-N 2.58Å; A195-H197 PolarHBondContact O-N 3.23Å
198	I	82.1	Confident	87.8	Confident	149 Å²	149	70.6 Å²	70.6	76%	0.764	33%	0.328	S	S	*	.	H	α-helix	trans	-91	-30.4	-178.8	-58.3	167.1	0	0	0	110.7	A195 L196	A195-I198 PolarHBondContact O-N 2.89Å; A195-I198 VanDerWaalsContact O-N 3.11Å; L196-I198 VanDerWaalsContact C-N 3.32Å
199	L	78	Confident	87.9	Confident	60 Å²	60	75.2 Å²	75.2	31%	0.314	35%	0.345	S	S	.	.	S	Bend	trans	-75.8	148.8	-179.5	-68	171.1	0	0	0	112.2	M166 A195 R201	M166-L199 HydrophobicContact CB-CD1 4.01Å; M166-L199 HydrophobicContact CE-CD1 3.7Å; M166-L199 HydrophobicContact SD-CD1 4.14Å; A195-L199 WeakPolarHBondContact O-CG 3.19Å; A195-L199 PolarHBondContact O-N 3.35Å; L199-R201 PolarHBondContact O-N 2.83Å
200	R	76.4	Confident	88	Confident	230 Å²	230	71.4 Å²	71.4	87%	0.868	33%	0.332	S	S	*	.	P	Polyproline II helix	trans	-65.4	134.5	172.6	-174.2	-177.2	175.5	-173.2	-0.8	109.2
201	R	83.9	Confident	88.3	Confident	110 Å²	110	66.3 Å²	66.3	42%	0.415	31%	0.308	S	S	.	.	P	Polyproline II helix	trans	-64.3	139.6	173	-61.2	178	-179.9	175.9	-2.8	110.7	L199 Y203	L199-R201 PolarHBondContact O-N 2.83Å; R201-Y203 WeakPolarHBondContact CB-O 3.4Å
202	K	87.5	Confident	88.7	Confident	72 Å²	72	64.7 Å²	64.7	31%	0.313	30%	0.302	S	S	.	.	S	Bend	trans	-65.4	-39.8	170.9	-178.5	-177.2	174.8	-166.8	0	111.8	V168 D170	V168-K202 PolarHBondContact O-NZ 3.48Å; D170-K202 VanDerWaalsContact CG-NZ 3.31Å; D170-K202 WeakPolarHBondContact OD1-CD 3.31Å; D170-K202 IonicContact OD1-NZ 3.47Å; D170-K202 PolarHBondContact OD1-NZ 2.69Å; D170-K202 IonicContact OD2-NZ 2.92Å; D170-K202 PolarHBondContact OD2-NZ 3.19Å
203	Y	91.5	Very high	89.1	Confident	25 Å²	25	64.3 Å²	64.3	10%	0.098	30%	0.3	C	S	.	.	B	Isolated β-bridge	trans	-127	135	175.7	-51.1	-62.5	0	0	0	109.2	D170 R201 E205 W206 F231 L235 R240 V244	D170-Y203 VanDerWaalsContact OD1-CE2 3.31Å; D170-Y203 WeakPolarHBondContact OD1-CE2 3.41Å; R201-Y203 WeakPolarHBondContact CB-O 3.4Å; Y203-E205 PolarHBondContact O-N 3.22Å; Y203-W206 PolarHBondContact O-N 2.85Å; Y203-F231 AromaticContact CD2-CE2 3.95Å; Y203-F231 HydrophobicContact CD2-CE2 3.95Å; Y203-F231 HydrophobicContact CD2-CZ 4.31Å; Y203-F231 AromaticContact CE2-CE2 3.82Å; Y203-F231 HydrophobicContact CE2-CE2 3.82Å; Y203-F231 AromaticContact CE2-CZ 3.76Å; Y203-F231 HydrophobicContact CE2-CZ 3.76Å; Y203-L235 HydrophobicContact CD2-CD1 4.26Å; Y203-L235 HydrophobicContact CD2-CD2 4Å; Y203-L235 HydrophobicContact CE1-CD2 4.39Å; Y203-L235 HydrophobicContact CE2-CD2 3.79Å; Y203-L235 HydrophobicContact CG-CD2 4.36Å; Y203-R240 HydrophobicContact CD1-CG 3.92Å; Y203-R240 HydrophobicContact CE1-CG 4.25Å; Y203-V244 HydrophobicContact CE1-CG2 3.87Å
204	D	89.7	Confident	89.4	Confident	117 Å²	117	61.5 Å²	61.5	63%	0.626	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-29.5	179.9	-65.8	-36.8	0	0	0	111.5
205	E	91.8	Very high	89.7	Confident	67 Å²	67	58.9 Å²	58.9	31%	0.313	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-8.5	-176.6	-47.3	89.3	161.7	0	0	113.5	Y203 R240	Y203-E205 PolarHBondContact O-N 3.22Å; E205-R240 IonicContact OE1-CZ 2.66Å; E205-R240 IonicContact OE1-NE 3.72Å; E205-R240 PolarHBondContact OE1-NE 3.43Å; E205-R240 IonicContact OE1-NH2 2.71Å; E205-R240 PolarHBondContact OE1-NH2 3.11Å; E205-R240 IonicContact OE2-NE 2.74Å
206	W	94.7	Very high	90.1	Very high	23 Å²	23	64.3 Å²	64.3	9%	0.087	30%	0.296	C	S	.	.	B	Isolated β-bridge	trans	-133.2	129.5	-177.5	-173.6	-109.1	0	0	0	112.9	D170 L171 Y203 R209 A227 D230 F231 A234 L235	D170-W206 PolarHBondContact O-NE1 3.47Å; L171-W206 HydrophobicContact CD1-CZ2 4.48Å; Y203-W206 PolarHBondContact O-N 2.85Å; W206-R209 HydrophobicContact CH2-CG 4.5Å; W206-R209 HydrophobicContact CZ2-CG 4.06Å; W206-A227 WeakPolarHBondContact CH2-O 3.4Å; W206-D230 HydrophobicContact CH2-CB 3.87Å; W206-D230 HydrophobicContact CZ3-CB 3.95Å; W206-F231 HydrophobicContact CB-CD2 4.38Å; W206-F231 AromaticContact CD1-CD2 3.55Å; W206-F231 AromaticContact CD1-CE2 3.85Å; W206-F231 HydrophobicContact CD2-CB 4.27Å; W206-F231 AromaticContact CD2-CD2 3.66Å; W206-F231 HydrophobicContact CD2-CD2 3.66Å; W206-F231 HydrophobicContact CD2-CG 4.45Å; W206-F231 AromaticContact CE2-CD2 3.61Å; W206-F231 HydrophobicContact CE3-CB 4.33Å; W206-F231 HydrophobicContact CE3-CD2 4.36Å; W206-F231 AromaticContact CG-CD2 3.63Å; W206-F231 HydrophobicContact CG-CD2 3.63Å; W206-F231 HydrophobicContact CG-CE2 4.08Å; W206-F231 HydrophobicContact CH2-CB 3.85Å; W206-F231 HydrophobicContact CZ2-CB 3.79Å; W206-F231 HydrophobicContact CZ2-CD2 4.26Å; W206-F231 HydrophobicContact CZ3-CB 4.13Å; W206-F231 AromaticContact NE1-CD2 3.53Å; W206-A234 HydrophobicContact CE3-CB 4.22Å; W206-L235 HydrophobicContact CB-CD1 4.13Å
207	Q	91	Very high	90.6	Very high	50 Å²	50	69.1 Å²	69.1	23%	0.234	32%	0.318	C	S	.	.	P	Polyproline II helix	trans	-97.1	119.1	165.7	179.3	68.9	46.9	0	0	108	L196 R209	L196-Q207 PolarHBondContact O-NE2 2.88Å; Q207-R209 PolarHBondContact O-N 2.77Å
208	P	91.9	Very high	91.2	Very high	16 Å²	16	67.3 Å²	67.3	10%	0.104	31%	0.308	C	S	.	.	P	Polyproline II helix	trans	-53.3	132.9	174.5	-27	35.1	0	0	0	111.5	D170 L196	D170-P208 WeakPolarHBondContact O-CA 3.4Å; L196-P208 HydrophobicContact CD1-CB 4.08Å; L196-P208 HydrophobicContact CD2-CB 4.09Å; L196-P208 HydrophobicContact CD2-CG 4.44Å
209	R	94.1	Very high	91.9	Very high	96 Å²	96	65.2 Å²	65.2	36%	0.362	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	140.8	-177.3	-67	174.1	67.5	175.1	-1.1	110.1	I172 W206 Q207 D230	I172-R209 PolarHBondContact N-O 2.86Å; W206-R209 HydrophobicContact CH2-CG 4.5Å; W206-R209 HydrophobicContact CZ2-CG 4.06Å; Q207-R209 PolarHBondContact O-N 2.77Å; R209-D230 IonicContact NH1-OD2 3.49Å; R209-D230 PolarHBondContact NH1-OD2 3.19Å
210	V	94.6	Very high	92.8	Very high	6 Å²	6	62.7 Å²	62.7	4%	0.036	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	119.8	169	-166.7	0	0	0	0	108.3	I172 I174 R189 E193 L196	I172-V210 HydrophobicContact CB-CG1 4.33Å; I172-V210 HydrophobicContact CB-CG2 4.39Å; I172-V210 HydrophobicContact CG2-CG1 4.26Å; I172-V210 CarbonylContact O-C 3.56Å; I172-V210 WeakPolarHBondContact O-CA 3.45Å; I174-V210 HydrophobicContact CD1-CG1 4.07Å; I174-V210 HydrophobicContact CG1-CG1 4.21Å; R189-V210 HydrophobicContact CB-CG1 4.4Å; R189-V210 HydrophobicContact CG-CB 4.25Å; R189-V210 HydrophobicContact CG-CG1 3.85Å; R189-V210 PolarHBondContact NH2-O 3.34Å; E193-V210 HydrophobicContact CB-CG2 4.44Å; E193-V210 HydrophobicContact CG-CB 3.76Å; E193-V210 HydrophobicContact CG-CG2 3.66Å; L196-V210 HydrophobicContact CD1-CG2 3.52Å
211	L	97.1	Very high	93.8	Very high	15 Å²	15	52 Å²	52	8%	0.079	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	161.5	-178.9	-60	175.5	0	0	0	109.7	L171 I172 V173 I174 I224 A227	L171-L211 HydrophobicContact CD2-CD1 4.14Å; I172-L211 PolarHBondContact O-N 2.85Å; V173-L211 CarbonylContact C-O 3.56Å; V173-L211 WeakPolarHBondContact CA-O 3.17Å; I174-L211 PolarHBondContact N-O 3.46Å; L211-I224 HydrophobicContact CB-CG1 4.16Å; L211-I224 HydrophobicContact CD1-CB 4.32Å; L211-I224 HydrophobicContact CD1-CG1 3.79Å; L211-A227 HydrophobicContact CD1-CB 3.65Å
212	T	96.8	Very high	94.5	Very high	28 Å²	28	50.1 Å²	50.1	17%	0.172	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	143.5	178.3	60.1	0	0	0	0	109	I174 V185 R189	I174-T212 HydrophobicContact CB-CG2 4.34Å; I174-T212 VanDerWaalsContact O-CA 3.29Å; I174-T212 WeakPolarHBondContact O-CA 3.12Å; V185-T212 HydrophobicContact CG1-CG2 3.39Å; R189-T212 HydrophobicContact CB-CG2 4.15Å; R189-T212 HydrophobicContact CG-CG2 4.23Å
213	C	97.6	Very high	95	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	159.7	175.8	68.7	0	0	0	0	112.6	V173 I174 N175 K176 D177 R219 I221 I224	V173-C213 HydrophobicContact CG1-CB 4.46Å; V173-C213 WeakPolarHBondContact CG1-SG 3.27Å; I174-C213 PolarHBondContact O-N 3.28Å; N175-C213 CarbonylContact C-O 3.46Å; N175-C213 VanDerWaalsContact CA-O 3.31Å; N175-C213 WeakPolarHBondContact CA-O 3.43Å; N175-C213 PolarHBondContact OD1-O 2.88Å; N175-C213 PolarHBondContact OD1-SG 2.98Å; N175-C213 VanDerWaalsContact OD1-SG 3.36Å; K176-C213 PolarHBondContact N-O 2.94Å; D177-C213 WeakPolarHBondContact CB-O 3.3Å; D177-C213 PolarHBondContact N-O 2.82Å; C213-R219 CarbonylContact C-O 3.5Å; C213-R219 WeakPolarHBondContact CA-O 3.28Å; C213-R219 VanDerWaalsContact CB-O 3.3Å; C213-R219 WeakPolarHBondContact CB-O 3.34Å; C213-I221 HydrophobicContact CB-CD1 3.92Å; C213-I224 HydrophobicContact CB-CD1 3.73Å
214	S	97.1	Very high	95.3	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	24%	0.241	C	C	.	.	B	Isolated β-bridge	trans	-108.8	102.7	158	-178.1	0	0	0	0	108.3	D178 L216 E217 K218 R219	D178-S214 WeakPolarHBondContact OD1-CB 3.38Å; D178-S214 PolarHBondContact OD1-OG 2.71Å; S214-L216 PolarHBondContact O-N 3.36Å; S214-E217 VanDerWaalsContact OG-CB 3.31Å; S214-E217 WeakPolarHBondContact OG-CB 3.47Å; S214-E217 WeakPolarHBondContact OG-CG 3.43Å; S214-E217 PolarHBondContact OG-N 2.94Å; S214-K218 CarbonylContact O-C 3.59Å; S214-K218 VanDerWaalsContact O-CA 3.32Å; S214-K218 WeakPolarHBondContact O-CA 3.29Å; S214-K218 PolarHBondContact O-N 2.86Å; S214-R219 PolarHBondContact N-O 3.47Å; S214-R219 PolarHBondContact O-N 2.84Å
215	A	94.9	Very high	95.7	Very high	3 Å²	3	46.2 Å²	46.2	3%	0.025	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62	-32.4	171.9	0	0	0	0	0	112	T44 F45 N175	T44-A215 HydrophobicContact CG2-CB 3.96Å; F45-A215 HydrophobicContact CB-CB 3.96Å; N175-A215 WeakPolarHBondContact OD1-CB 3.48Å; N175-A215 PolarHBondContact OD1-N 2.85Å
216	L	93.3	Very high	96	Very high	128 Å²	128	48.3 Å²	48.3	67%	0.67	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.4	-48.5	-179.4	-179.1	63.9	0	0	0	111.8	S214 K218	S214-L216 PolarHBondContact O-N 3.36Å; L216-K218 VanDerWaalsContact C-N 3.26Å; L216-K218 PolarHBondContact O-N 3.13Å
217	E	95.8	Very high	96.2	Very high	111 Å²	111	47.2 Å²	47.2	52%	0.519	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.9	-2.5	178.9	-57.2	179.7	169.8	0	0	112.8	S214 R219	S214-E217 VanDerWaalsContact OG-CB 3.31Å; S214-E217 WeakPolarHBondContact OG-CB 3.47Å; S214-E217 WeakPolarHBondContact OG-CG 3.43Å; S214-E217 PolarHBondContact OG-N 2.94Å; E217-R219 VanDerWaalsContact C-N 3.25Å; E217-R219 PolarHBondContact O-N 3.44Å; E217-R219 IonicContact OE2-NE 3.56Å
218	K	95.5	Very high	96.5	Very high	108 Å²	108	44.9 Å²	44.9	47%	0.47	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.1	33.9	-178	-55.9	172.1	177.9	174.2	0	112.8	A48 S214 L216	A48-K218 HydrophobicContact CB-CG 4.31Å; S214-K218 CarbonylContact O-C 3.59Å; S214-K218 VanDerWaalsContact O-CA 3.32Å; S214-K218 WeakPolarHBondContact O-CA 3.29Å; S214-K218 PolarHBondContact O-N 2.86Å; L216-K218 VanDerWaalsContact C-N 3.26Å; L216-K218 PolarHBondContact O-N 3.13Å
219	R	96.9	Very high	96.8	Very high	104 Å²	104	46.8 Å²	46.8	39%	0.392	22%	0.22	S	C	.	.	B	Isolated β-bridge	trans	-102.9	139.6	179.3	-177.8	172.5	61.9	90.8	-12.9	110.5	D177 C213 S214 E217 I221	D177-R219 VanDerWaalsContact CG-NH2 3.33Å; D177-R219 PolarHBondContact O-NH2 3.41Å; D177-R219 IonicContact OD1-NH2 3.69Å; D177-R219 IonicContact OD2-CZ 3.21Å; D177-R219 IonicContact OD2-NH1 2.87Å; D177-R219 PolarHBondContact OD2-NH1 3.11Å; D177-R219 IonicContact OD2-NH2 2.99Å; D177-R219 PolarHBondContact OD2-NH2 3.17Å; C213-R219 CarbonylContact C-O 3.5Å; C213-R219 WeakPolarHBondContact CA-O 3.28Å; C213-R219 VanDerWaalsContact CB-O 3.3Å; C213-R219 WeakPolarHBondContact CB-O 3.34Å; S214-R219 PolarHBondContact N-O 3.47Å; S214-R219 PolarHBondContact O-N 2.84Å; E217-R219 VanDerWaalsContact C-N 3.25Å; E217-R219 PolarHBondContact O-N 3.44Å; E217-R219 IonicContact OE2-NE 3.56Å; R219-I221 VanDerWaalsContact C-N 3.27Å; R219-I221 PolarHBondContact O-N 3.31Å
220	G	97	Very high	97	Very high	8 Å²	8	45.9 Å²	45.9	8%	0.082	22%	0.222	C	C	.	.	S	Bend	trans	84.3	-4.7	179.7	0	0	0	0	0	114.6	E223 I224	G220-E223 WeakPolarHBondContact CA-OE2 3.44Å; G220-I224 WeakPolarHBondContact O-CD1 3.33Å; G220-I224 VanDerWaalsContact O-CG1 3.31Å; G220-I224 WeakPolarHBondContact O-CG1 3.35Å; G220-I224 PolarHBondContact O-N 3.31Å
221	I	97.8	Very high	97.2	Very high	4 Å²	4	45.6 Å²	45.6	2%	0.021	22%	0.22	C	C	.	.	H	α-helix	trans	-75	-37.6	-173.6	-52.8	-61.1	0	0	0	110.9	F45 A48 F49 L52 C213 R219 I224 W225	F45-I221 HydrophobicContact CD2-CD1 3.94Å; F45-I221 HydrophobicContact CE2-CD1 3.99Å; A48-I221 HydrophobicContact CB-CG1 4.43Å; F49-I221 HydrophobicContact CB-CG2 4.12Å; F49-I221 HydrophobicContact CD2-CG2 3.8Å; F49-I221 HydrophobicContact CG-CG2 4.47Å; L52-I221 HydrophobicContact CB-CG2 4.33Å; L52-I221 HydrophobicContact CD2-CB 4.44Å; L52-I221 HydrophobicContact CD2-CG2 3.79Å; C213-I221 HydrophobicContact CB-CD1 3.92Å; R219-I221 VanDerWaalsContact C-N 3.27Å; R219-I221 PolarHBondContact O-N 3.31Å; I221-I224 PolarHBondContact O-N 3.47Å; I221-W225 PolarHBondContact O-N 3.24Å
222	D	98	Very high	97.1	Very high	72 Å²	72	48.3 Å²	48.3	39%	0.385	23%	0.231	S	C	.	.	H	α-helix	trans	-63.1	-41.6	175	-59.5	-82.6	0	0	0	111.8	L52 I224 W225 H226	L52-D222 WeakPolarHBondContact CD1-OD1 3.47Å; D222-I224 VanDerWaalsContact C-N 3.29Å; D222-I224 PolarHBondContact O-N 2.95Å; D222-W225 PolarHBondContact O-N 3.32Å; D222-W225 VanDerWaalsContact O-N 3.17Å; D222-H226 PolarHBondContact O-N 3.26Å; D222-H226 PolarHBondContact O-ND1 3.09Å
223	E	98.1	Very high	97.2	Very high	104 Å²	104	51 Å²	51	49%	0.486	25%	0.248	S	C	.	.	H	α-helix	trans	-63.7	-35.9	177	-65.7	87.7	161	0	0	112.1	G220 A227	G220-E223 WeakPolarHBondContact CA-OE2 3.44Å; E223-A227 WeakPolarHBondContact O-CB 3.47Å; E223-A227 PolarHBondContact O-N 3.03Å
224	I	98.3	Very high	97.1	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-66.1	-43.8	173.5	-66.6	163.7	0	0	0	110.2	F45 F49 V173 L211 C213 G220 I221 D222 A227 I228	F45-I224 HydrophobicContact CE2-CD1 3.77Å; F45-I224 HydrophobicContact CZ-CD1 4.44Å; F45-I224 HydrophobicContact CZ-CG2 4.24Å; F49-I224 HydrophobicContact CE2-CG2 4.39Å; V173-I224 HydrophobicContact CB-CD1 4.38Å; V173-I224 HydrophobicContact CG1-CD1 3.53Å; V173-I224 HydrophobicContact CG1-CG1 4.49Å; V173-I224 HydrophobicContact CG2-CD1 3.87Å; V173-I224 HydrophobicContact CG2-CG1 4.06Å; V173-I224 HydrophobicContact CG2-CG2 4.3Å; L211-I224 HydrophobicContact CB-CG1 4.16Å; L211-I224 HydrophobicContact CD1-CB 4.32Å; L211-I224 HydrophobicContact CD1-CG1 3.79Å; C213-I224 HydrophobicContact CB-CD1 3.73Å; G220-I224 WeakPolarHBondContact O-CD1 3.33Å; G220-I224 VanDerWaalsContact O-CG1 3.31Å; G220-I224 WeakPolarHBondContact O-CG1 3.35Å; G220-I224 PolarHBondContact O-N 3.31Å; I221-I224 PolarHBondContact O-N 3.47Å; D222-I224 VanDerWaalsContact C-N 3.29Å; D222-I224 PolarHBondContact O-N 2.95Å; I224-A227 PolarHBondContact O-N 3.39Å; I224-I228 HydrophobicContact CG2-CD1 3.98Å; I224-I228 WeakPolarHBondContact O-CG1 3.42Å; I224-I228 PolarHBondContact O-N 3.35Å
225	W	98.1	Very high	97.1	Very high	27 Å²	27	52.5 Å²	52.5	10%	0.102	26%	0.26	C	S	.	.	H	α-helix	trans	-61.1	-46.8	176.3	179.9	-131.8	0	0	0	112.2	L30 F49 L52 L53 L58 V124 I221 D222 A227 I228 I229	L30-W225 HydrophobicContact CD2-CH2 3.78Å; L30-W225 HydrophobicContact CD2-CZ3 3.69Å; F49-W225 HydrophobicContact CE2-CB 4.01Å; F49-W225 HydrophobicContact CE2-CE3 4.18Å; F49-W225 AromaticContact CZ-CE3 3.8Å; F49-W225 HydrophobicContact CZ-CE3 3.8Å; F49-W225 HydrophobicContact CZ-CZ3 4.37Å; L52-W225 HydrophobicContact CD2-CB 3.97Å; L53-W225 HydrophobicContact CD2-CD2 3.59Å; L53-W225 HydrophobicContact CD2-CE3 3.59Å; L53-W225 HydrophobicContact CD2-CG 4.29Å; L53-W225 HydrophobicContact CD2-CH2 3.69Å; L53-W225 HydrophobicContact CD2-CZ2 3.69Å; L53-W225 HydrophobicContact CD2-CZ3 3.65Å; L58-W225 HydrophobicContact CD1-CH2 4.12Å; L58-W225 HydrophobicContact CD1-CZ2 3.64Å; V124-W225 HydrophobicContact CG2-CH2 4.3Å; I221-W225 PolarHBondContact O-N 3.24Å; D222-W225 PolarHBondContact O-N 3.32Å; D222-W225 VanDerWaalsContact O-N 3.17Å; W225-A227 VanDerWaalsContact C-N 3.3Å; W225-A227 PolarHBondContact O-N 3.26Å; W225-I228 HydrophobicContact CE3-CB 4.11Å; W225-I228 HydrophobicContact CE3-CD1 4.27Å; W225-I228 HydrophobicContact CE3-CG2 4.13Å; W225-I228 HydrophobicContact CZ3-CB 4.38Å; W225-I228 HydrophobicContact CZ3-CG2 3.89Å; W225-I228 WeakPolarHBondContact O-CB 3.18Å; W225-I228 PolarHBondContact O-N 3.19Å; W225-I228 VanDerWaalsContact O-N 3.12Å; W225-I229 HydrophobicContact CD2-CG1 4.11Å; W225-I229 HydrophobicContact CE3-CG1 4.41Å; W225-I229 HydrophobicContact CH2-CD1 3.63Å; W225-I229 HydrophobicContact CH2-CG1 4.26Å; W225-I229 HydrophobicContact CZ2-CD1 3.52Å; W225-I229 HydrophobicContact CZ2-CG1 3.92Å; W225-I229 HydrophobicContact CZ3-CD1 4.17Å; W225-I229 HydrophobicContact CZ3-CG1 4.49Å; W225-I229 WeakPolarHBondContact O-CG1 3.48Å; W225-I229 PolarHBondContact O-N 3.45Å
226	H	98.1	Very high	97.2	Very high	112 Å²	112	56.1 Å²	56.1	52%	0.519	28%	0.282	S	S	.	.	H	α-helix	trans	-58.1	-42.1	175.2	-68.6	127.7	0	0	0	112.2	D222 I228 I229 D230	D222-H226 PolarHBondContact O-N 3.26Å; D222-H226 PolarHBondContact O-ND1 3.09Å; H226-I228 VanDerWaalsContact C-N 3.31Å; H226-I228 PolarHBondContact O-N 3.02Å; H226-I229 PolarHBondContact O-N 3.45Å; H226-D230 VanDerWaalsContact O-CG 3.25Å; H226-D230 PolarHBondContact O-N 3Å
227	A	98.2	Very high	97.3	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-64.4	-34	177.2	0	0	0	0	0	113.2	L171 W206 L211 E223 I224 W225 F231	L171-A227 HydrophobicContact CD2-CB 3.75Å; W206-A227 WeakPolarHBondContact CH2-O 3.4Å; L211-A227 HydrophobicContact CD1-CB 3.65Å; E223-A227 WeakPolarHBondContact O-CB 3.47Å; E223-A227 PolarHBondContact O-N 3.03Å; I224-A227 PolarHBondContact O-N 3.39Å; W225-A227 VanDerWaalsContact C-N 3.3Å; W225-A227 PolarHBondContact O-N 3.26Å; A227-F231 WeakPolarHBondContact O-CB 3.37Å; A227-F231 PolarHBondContact O-N 2.98Å
228	I	98.2	Very high	97.3	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-68.2	-40	173.6	-67.3	161.2	0	0	0	110.7	L30 L32 F49 I147 L171 I224 W225 H226 F231 K232	L30-I228 HydrophobicContact CD2-CG2 3.8Å; L32-I228 HydrophobicContact CD1-CD1 4.3Å; L32-I228 HydrophobicContact CD2-CG2 3.8Å; F49-I228 HydrophobicContact CE1-CD1 4.39Å; F49-I228 HydrophobicContact CE2-CD1 4.01Å; F49-I228 HydrophobicContact CZ-CD1 3.5Å; F49-I228 VanDerWaalsContact CZ-CD1 3.5Å; I147-I228 HydrophobicContact CD1-CD1 3.65Å; I147-I228 HydrophobicContact CD1-CG1 4.29Å; L171-I228 HydrophobicContact CD2-CG1 3.96Å; I224-I228 HydrophobicContact CG2-CD1 3.98Å; I224-I228 WeakPolarHBondContact O-CG1 3.42Å; I224-I228 PolarHBondContact O-N 3.35Å; W225-I228 HydrophobicContact CE3-CB 4.11Å; W225-I228 HydrophobicContact CE3-CD1 4.27Å; W225-I228 HydrophobicContact CE3-CG2 4.13Å; W225-I228 HydrophobicContact CZ3-CB 4.38Å; W225-I228 HydrophobicContact CZ3-CG2 3.89Å; W225-I228 WeakPolarHBondContact O-CB 3.18Å; W225-I228 PolarHBondContact O-N 3.19Å; W225-I228 VanDerWaalsContact O-N 3.12Å; H226-I228 VanDerWaalsContact C-N 3.31Å; H226-I228 PolarHBondContact O-N 3.02Å; I228-F231 WeakPolarHBondContact O-CB 3.18Å; I228-F231 PolarHBondContact O-N 2.95Å; I228-K232 WeakPolarHBondContact O-CB 2.93Å; I228-K232 PolarHBondContact O-N 3.14Å
229	I	98	Very high	97.3	Very high	57 Å²	57	47.7 Å²	47.7	29%	0.292	27%	0.27	S	S	.	.	H	α-helix	trans	-65.9	-41.7	174.8	-66.9	-57.5	0	0	0	111.4	W225 H226 F231 K232 T233	W225-I229 HydrophobicContact CD2-CG1 4.11Å; W225-I229 HydrophobicContact CE3-CG1 4.41Å; W225-I229 HydrophobicContact CH2-CD1 3.63Å; W225-I229 HydrophobicContact CH2-CG1 4.26Å; W225-I229 HydrophobicContact CZ2-CD1 3.52Å; W225-I229 HydrophobicContact CZ2-CG1 3.92Å; W225-I229 HydrophobicContact CZ3-CD1 4.17Å; W225-I229 HydrophobicContact CZ3-CG1 4.49Å; W225-I229 WeakPolarHBondContact O-CG1 3.48Å; W225-I229 PolarHBondContact O-N 3.45Å; H226-I229 PolarHBondContact O-N 3.45Å; I229-F231 VanDerWaalsContact C-N 3.34Å; I229-F231 PolarHBondContact O-N 3.27Å; I229-K232 PolarHBondContact O-N 3.27Å; I229-T233 WeakPolarHBondContact O-CB 3.15Å; I229-T233 PolarHBondContact O-N 3.44Å; I229-T233 PolarHBondContact O-OG1 3.05Å
230	D	97.9	Very high	97.2	Very high	76 Å²	76	46.5 Å²	46.5	41%	0.406	27%	0.265	S	S	.	.	H	α-helix	trans	-58.6	-47.2	173.7	-69.7	-22.1	0	0	0	110.7	W206 R209 H226 T233 A234	W206-D230 HydrophobicContact CH2-CB 3.87Å; W206-D230 HydrophobicContact CZ3-CB 3.95Å; R209-D230 IonicContact NH1-OD2 3.49Å; R209-D230 PolarHBondContact NH1-OD2 3.19Å; H226-D230 VanDerWaalsContact O-CG 3.25Å; H226-D230 PolarHBondContact O-N 3Å; D230-T233 PolarHBondContact O-N 2.85Å; D230-A234 WeakPolarHBondContact O-CB 3.16Å; D230-A234 PolarHBondContact O-N 2.58Å
231	F	97.5	Very high	97.1	Very high	1 Å²	1	46.9 Å²	46.9	0%	0.004	27%	0.265	C	S	.	.	H	α-helix	trans	-57.5	-52.1	175.9	172.5	-91.1	0	0	0	111.4	D144 C145 D170 Y203 W206 A227 I228 I229 T233 A234 L235	D144-F231 WeakPolarHBondContact O-CE1 3.34Å; D144-F231 VanDerWaalsContact O-CZ 3.3Å; D144-F231 WeakPolarHBondContact O-CZ 3.47Å; C145-F231 HydrophobicContact CB-CD1 3.79Å; C145-F231 HydrophobicContact CB-CE1 3.67Å; C145-F231 HydrophobicContact CB-CZ 4.41Å; D170-F231 HydrophobicContact CB-CD2 4.16Å; D170-F231 HydrophobicContact CB-CE2 3.72Å; D170-F231 HydrophobicContact CB-CZ 4.13Å; Y203-F231 AromaticContact CD2-CE2 3.95Å; Y203-F231 HydrophobicContact CD2-CE2 3.95Å; Y203-F231 HydrophobicContact CD2-CZ 4.31Å; Y203-F231 AromaticContact CE2-CE2 3.82Å; Y203-F231 HydrophobicContact CE2-CE2 3.82Å; Y203-F231 AromaticContact CE2-CZ 3.76Å; Y203-F231 HydrophobicContact CE2-CZ 3.76Å; W206-F231 HydrophobicContact CB-CD2 4.38Å; W206-F231 AromaticContact CD1-CD2 3.55Å; W206-F231 AromaticContact CD1-CE2 3.85Å; W206-F231 HydrophobicContact CD2-CB 4.27Å; W206-F231 AromaticContact CD2-CD2 3.66Å; W206-F231 HydrophobicContact CD2-CD2 3.66Å; W206-F231 HydrophobicContact CD2-CG 4.45Å; W206-F231 AromaticContact CE2-CD2 3.61Å; W206-F231 HydrophobicContact CE3-CB 4.33Å; W206-F231 HydrophobicContact CE3-CD2 4.36Å; W206-F231 AromaticContact CG-CD2 3.63Å; W206-F231 HydrophobicContact CG-CD2 3.63Å; W206-F231 HydrophobicContact CG-CE2 4.08Å; W206-F231 HydrophobicContact CH2-CB 3.85Å; W206-F231 HydrophobicContact CZ2-CB 3.79Å; W206-F231 HydrophobicContact CZ2-CD2 4.26Å; W206-F231 HydrophobicContact CZ3-CB 4.13Å; W206-F231 AromaticContact NE1-CD2 3.53Å; A227-F231 WeakPolarHBondContact O-CB 3.37Å; A227-F231 PolarHBondContact O-N 2.98Å; I228-F231 WeakPolarHBondContact O-CB 3.18Å; I228-F231 PolarHBondContact O-N 2.95Å; I229-F231 VanDerWaalsContact C-N 3.34Å; I229-F231 PolarHBondContact O-N 3.27Å; F231-T233 VanDerWaalsContact C-N 3.27Å; F231-T233 PolarHBondContact O-N 3.42Å; F231-A234 PolarHBondContact O-N 2.76Å; F231-L235 HydrophobicContact CD1-CD1 4.45Å; F231-L235 HydrophobicContact CD2-CD1 3.73Å; F231-L235 HydrophobicContact CE1-CD1 4.25Å; F231-L235 HydrophobicContact CE1-CD2 3.88Å; F231-L235 HydrophobicContact CE2-CD1 3.52Å; F231-L235 HydrophobicContact CE2-CD2 4Å; F231-L235 HydrophobicContact CE2-CG 4.42Å; F231-L235 HydrophobicContact CG-CD1 4.22Å; F231-L235 HydrophobicContact CZ-CD1 3.81Å; F231-L235 HydrophobicContact CZ-CD2 3.45Å; F231-L235 VanDerWaalsContact CZ-CD2 3.45Å; F231-L235 HydrophobicContact CZ-CG 4.25Å; F231-L235 WeakPolarHBondContact O-CD1 3.13Å; F231-L235 PolarHBondContact O-N 3.27Å
232	K	96.6	Very high	96.9	Very high	72 Å²	72	53.1 Å²	53.1	31%	0.313	29%	0.294	S	S	.	.	H	α-helix	trans	-57.5	-43.4	178.7	-176.4	-174.1	-178.7	179.4	0	110.7	L30 I228 I229 T236 L241	L30-K232 HydrophobicContact CD1-CD 4.17Å; I228-K232 WeakPolarHBondContact O-CB 2.93Å; I228-K232 PolarHBondContact O-N 3.14Å; I229-K232 PolarHBondContact O-N 3.27Å; K232-T236 WeakPolarHBondContact O-CB 3.37Å; K232-T236 PolarHBondContact O-N 3.27Å; K232-T236 PolarHBondContact O-OG1 2.79Å; K232-L241 HydrophobicContact CG-CD2 4.29Å
233	T	97.4	Very high	96.7	Very high	85 Å²	85	54 Å²	54	52%	0.521	30%	0.296	S	S	.	.	H	α-helix	trans	-64.8	-47.2	-179.5	-58	0	0	0	0	111.1	I229 D230 F231 T236 A237	I229-T233 WeakPolarHBondContact O-CB 3.15Å; I229-T233 PolarHBondContact O-N 3.44Å; I229-T233 PolarHBondContact O-OG1 3.05Å; D230-T233 PolarHBondContact O-N 2.85Å; F231-T233 VanDerWaalsContact C-N 3.27Å; F231-T233 PolarHBondContact O-N 3.42Å; T233-T236 PolarHBondContact O-N 3.43Å; T233-A237 WeakPolarHBondContact O-CB 2.94Å; T233-A237 PolarHBondContact O-N 3.3Å
234	A	97.1	Very high	96.4	Very high	29 Å²	29	49.7 Å²	49.7	24%	0.24	28%	0.277	C	S	.	.	H	α-helix	trans	-60	-49	178.8	0	0	0	0	0	112.2	W206 D230 F231 T236 A237 S238	W206-A234 HydrophobicContact CE3-CB 4.22Å; D230-A234 WeakPolarHBondContact O-CB 3.16Å; D230-A234 PolarHBondContact O-N 2.58Å; F231-A234 PolarHBondContact O-N 2.76Å; A234-T236 VanDerWaalsContact C-N 3.35Å; A234-T236 PolarHBondContact O-N 3.37Å; A234-A237 PolarHBondContact O-N 2.91Å; A234-S238 PolarHBondContact O-N 2.95Å; A234-S238 PolarHBondContact O-OG 2.9Å
235	L	96.5	Very high	96.2	Very high	1 Å²	1	51.8 Å²	51.8	1%	0.005	29%	0.285	C	S	.	.	H	α-helix	trans	-72.2	-27.4	179.7	-86.2	75.4	0	0	0	113.2	Y203 W206 F231 S238 G239 R240 L241	Y203-L235 HydrophobicContact CD2-CD1 4.26Å; Y203-L235 HydrophobicContact CD2-CD2 4Å; Y203-L235 HydrophobicContact CE1-CD2 4.39Å; Y203-L235 HydrophobicContact CE2-CD2 3.79Å; Y203-L235 HydrophobicContact CG-CD2 4.36Å; W206-L235 HydrophobicContact CB-CD1 4.13Å; F231-L235 HydrophobicContact CD1-CD1 4.45Å; F231-L235 HydrophobicContact CD2-CD1 3.73Å; F231-L235 HydrophobicContact CE1-CD1 4.25Å; F231-L235 HydrophobicContact CE1-CD2 3.88Å; F231-L235 HydrophobicContact CE2-CD1 3.52Å; F231-L235 HydrophobicContact CE2-CD2 4Å; F231-L235 HydrophobicContact CE2-CG 4.42Å; F231-L235 HydrophobicContact CG-CD1 4.22Å; F231-L235 HydrophobicContact CZ-CD1 3.81Å; F231-L235 HydrophobicContact CZ-CD2 3.45Å; F231-L235 VanDerWaalsContact CZ-CD2 3.45Å; F231-L235 HydrophobicContact CZ-CG 4.25Å; F231-L235 WeakPolarHBondContact O-CD1 3.13Å; F231-L235 PolarHBondContact O-N 3.27Å; L235-S238 PolarHBondContact O-OG 3.05Å; L235-G239 CarbonylContact O-C 3.59Å; L235-G239 PolarHBondContact O-N 2.85Å; L235-R240 HydrophobicContact CB-CB 4.31Å; L235-R240 HydrophobicContact CD2-CG 4.29Å; L235-R240 HydrophobicContact CG-CB 4.15Å; L235-R240 HydrophobicContact CG-CG 4.28Å; L235-R240 PolarHBondContact O-N 3.44Å; L235-L241 HydrophobicContact CB-CB 3.99Å; L235-L241 PolarHBondContact O-N 3.24Å
236	T	96	Very high	95.8	Very high	79 Å²	79	56 Å²	56	49%	0.485	31%	0.305	S	S	.	.	H	α-helix	trans	-71.6	-44.8	174	-58.7	0	0	0	0	110.3	K232 T233 A234 S238 G239 L241	K232-T236 WeakPolarHBondContact O-CB 3.37Å; K232-T236 PolarHBondContact O-N 3.27Å; K232-T236 PolarHBondContact O-OG1 2.79Å; T233-T236 PolarHBondContact O-N 3.43Å; A234-T236 VanDerWaalsContact C-N 3.35Å; A234-T236 PolarHBondContact O-N 3.37Å; T236-S238 VanDerWaalsContact C-N 3.27Å; T236-S238 PolarHBondContact O-N 2.71Å; T236-G239 PolarHBondContact O-N 3.24Å; T236-L241 WeakPolarHBondContact OG1-CD2 3.2Å
237	A	96.4	Very high	95.5	Very high	93 Å²	93	56.9 Å²	56.9	77%	0.769	31%	0.31	S	S	*	.	H	α-helix	trans	-61.8	-34.1	-179.8	0	0	0	0	0	112.8	T233 A234 G239	T233-A237 WeakPolarHBondContact O-CB 2.94Å; T233-A237 PolarHBondContact O-N 3.3Å; A234-A237 PolarHBondContact O-N 2.91Å; A237-G239 VanDerWaalsContact C-N 3.34Å
238	S	96.2	Very high	95	Very high	50 Å²	50	57.3 Å²	57.3	35%	0.35	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.4	-6.8	174.9	65.2	0	0	0	0	114.3	A234 L235 T236 R240	A234-S238 PolarHBondContact O-N 2.95Å; A234-S238 PolarHBondContact O-OG 2.9Å; L235-S238 PolarHBondContact O-OG 3.05Å; T236-S238 VanDerWaalsContact C-N 3.27Å; T236-S238 PolarHBondContact O-N 2.71Å; S238-R240 PolarHBondContact O-N 3.25Å; S238-R240 VanDerWaalsContact OG-CB 3.25Å; S238-R240 WeakPolarHBondContact OG-CB 3.35Å; S238-R240 PolarHBondContact OG-N 3.29Å
239	G	95.5	Very high	94.4	Very high	28 Å²	28	60 Å²	60	29%	0.289	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.6	0.2	-171.3	0	0	0	0	0	114.3	L235 T236 A237 L241 Q242 Q243	L235-G239 CarbonylContact O-C 3.59Å; L235-G239 PolarHBondContact O-N 2.85Å; T236-G239 PolarHBondContact O-N 3.24Å; A237-G239 VanDerWaalsContact C-N 3.34Å; G239-L241 VanDerWaalsContact C-N 3.32Å; G239-L241 PolarHBondContact O-N 2.83Å; G239-Q242 PolarHBondContact O-N 3.4Å; G239-Q243 PolarHBondContact O-N 3.39Å
240	R	95.2	Very high	93.6	Very high	79 Å²	79	62 Å²	62	30%	0.298	35%	0.346	S	S	.	.	H	α-helix	trans	-61.4	-38.4	-178.3	-170.3	67.1	63	-173	7	112.3	Y203 E205 L235 S238 Q242 Q243 V244	Y203-R240 HydrophobicContact CD1-CG 3.92Å; Y203-R240 HydrophobicContact CE1-CG 4.25Å; E205-R240 IonicContact OE1-CZ 2.66Å; E205-R240 IonicContact OE1-NE 3.72Å; E205-R240 PolarHBondContact OE1-NE 3.43Å; E205-R240 IonicContact OE1-NH2 2.71Å; E205-R240 PolarHBondContact OE1-NH2 3.11Å; E205-R240 IonicContact OE2-NE 2.74Å; L235-R240 HydrophobicContact CB-CB 4.31Å; L235-R240 HydrophobicContact CD2-CG 4.29Å; L235-R240 HydrophobicContact CG-CB 4.15Å; L235-R240 HydrophobicContact CG-CG 4.28Å; L235-R240 PolarHBondContact O-N 3.44Å; S238-R240 PolarHBondContact O-N 3.25Å; S238-R240 VanDerWaalsContact OG-CB 3.25Å; S238-R240 WeakPolarHBondContact OG-CB 3.35Å; S238-R240 PolarHBondContact OG-N 3.29Å; R240-Q242 VanDerWaalsContact C-N 3.3Å; R240-Q242 PolarHBondContact O-N 3.01Å; R240-Q243 WeakPolarHBondContact O-CB 3.47Å; R240-Q243 PolarHBondContact O-N 3.17Å; R240-V244 HydrophobicContact CG-CG2 4.27Å; R240-V244 WeakPolarHBondContact O-CG2 3.5Å; R240-V244 PolarHBondContact O-N 3.36Å
241	L	94.4	Very high	92.8	Very high	15 Å²	15	62.9 Å²	62.9	8%	0.079	35%	0.347	C	S	.	.	H	α-helix	trans	-58.9	-43.4	-179.5	-175.5	59.9	0	0	0	111.6	D144 K232 L235 T236 G239 V244 R245	D144-L241 HydrophobicContact CB-CD1 3.8Å; K232-L241 HydrophobicContact CG-CD2 4.29Å; L235-L241 HydrophobicContact CB-CB 3.99Å; L235-L241 PolarHBondContact O-N 3.24Å; T236-L241 WeakPolarHBondContact OG1-CD2 3.2Å; G239-L241 VanDerWaalsContact C-N 3.32Å; G239-L241 PolarHBondContact O-N 2.83Å; L241-V244 PolarHBondContact O-N 2.87Å; L241-R245 WeakPolarHBondContact O-CG 3.16Å; L241-R245 PolarHBondContact O-N 2.78Å
242	Q	93.2	Very high	91.9	Very high	135 Å²	135	65.6 Å²	65.6	63%	0.631	36%	0.357	S	S	*	.	H	α-helix	trans	-68.2	-40	178.8	-168.9	175	18	0	0	111.5	G239 R240 R245 Q246	G239-Q242 PolarHBondContact O-N 3.4Å; R240-Q242 VanDerWaalsContact C-N 3.3Å; R240-Q242 PolarHBondContact O-N 3.01Å; Q242-R245 PolarHBondContact O-N 3.5Å; Q242-Q246 WeakPolarHBondContact O-CB 3.29Å; Q242-Q246 WeakPolarHBondContact O-CG 3.32Å; Q242-Q246 PolarHBondContact O-N 2.92Å
243	Q	93.8	Very high	90.9	Very high	90 Å²	90	67.4 Å²	67.4	42%	0.421	37%	0.37	S	S	.	.	H	α-helix	trans	-61.7	-45.7	175.2	-68.7	177.1	-4.5	0	0	111.9	G239 R240 Q246 Q247	G239-Q243 PolarHBondContact O-N 3.39Å; R240-Q243 WeakPolarHBondContact O-CB 3.47Å; R240-Q243 PolarHBondContact O-N 3.17Å; Q243-Q246 PolarHBondContact O-N 2.87Å; Q243-Q247 PolarHBondContact O-N 3.48Å
244	V	92.3	Very high	89.7	Confident	15 Å²	15	71.2 Å²	71.2	9%	0.091	38%	0.375	C	S	.	.	H	α-helix	trans	-58.6	-51.8	176.6	168.6	0	0	0	0	109.3	Y203 R240 L241 Q246 Q247 Q248	Y203-V244 HydrophobicContact CE1-CG2 3.87Å; R240-V244 HydrophobicContact CG-CG2 4.27Å; R240-V244 WeakPolarHBondContact O-CG2 3.5Å; R240-V244 PolarHBondContact O-N 3.36Å; L241-V244 PolarHBondContact O-N 2.87Å; V244-Q246 VanDerWaalsContact C-N 3.3Å; V244-Q246 PolarHBondContact O-N 3.32Å; V244-Q247 WeakPolarHBondContact O-CB 3.33Å; V244-Q247 PolarHBondContact O-N 3.25Å; V244-Q247 VanDerWaalsContact O-N 3.1Å; V244-Q248 HydrophobicContact CG1-CG 4.15Å; V244-Q248 WeakPolarHBondContact O-CG 3.29Å; V244-Q248 PolarHBondContact O-N 3.02Å
245	R	93	Very high	88.5	Confident	44 Å²	44	75 Å²	75	17%	0.166	39%	0.386	C	S	.	.	H	α-helix	trans	-61.1	-34.9	178.8	-73.1	177.3	171.3	-162.1	-6.4	114	G27 T29 D144 L241 Q242 S249	G27-R245 PolarHBondContact O-NH1 3.26Å; T29-R245 PolarHBondContact O-NH2 2.74Å; D144-R245 VanDerWaalsContact CG-NH2 3.32Å; D144-R245 IonicContact OD1-CZ 2.9Å; D144-R245 IonicContact OD1-NE 3.26Å; D144-R245 PolarHBondContact OD1-NE 3.23Å; D144-R245 IonicContact OD1-NH2 3.42Å; D144-R245 PolarHBondContact OD1-NH2 2.76Å; D144-R245 IonicContact OD2-CZ 3.92Å; D144-R245 IonicContact OD2-NE 2.67Å; D144-R245 IonicContact OD2-NH2 3.6Å; D144-R245 PolarHBondContact OD2-NH2 3.38Å; L241-R245 WeakPolarHBondContact O-CG 3.16Å; L241-R245 PolarHBondContact O-N 2.78Å; Q242-R245 PolarHBondContact O-N 3.5Å; R245-S249 WeakPolarHBondContact O-CB 3.29Å; R245-S249 PolarHBondContact O-N 3.5Å; R245-S249 PolarHBondContact O-OG 2.94Å
246	Q	91.2	Very high	87.3	Confident	115 Å²	115	76.9 Å²	76.9	54%	0.537	40%	0.395	S	S	.	.	H	α-helix	trans	-64.9	-47.7	172.8	-77.6	177.5	-2.8	0	0	111.2	Q242 Q243 V244 Q248 S249 V250	Q242-Q246 WeakPolarHBondContact O-CB 3.29Å; Q242-Q246 WeakPolarHBondContact O-CG 3.32Å; Q242-Q246 PolarHBondContact O-N 2.92Å; Q243-Q246 PolarHBondContact O-N 2.87Å; V244-Q246 VanDerWaalsContact C-N 3.3Å; V244-Q246 PolarHBondContact O-N 3.32Å; Q246-Q248 VanDerWaalsContact C-N 3.34Å; Q246-Q248 PolarHBondContact O-N 3.44Å; Q246-S249 WeakPolarHBondContact O-CB 3.46Å; Q246-S249 PolarHBondContact O-N 3.33Å; Q246-S249 VanDerWaalsContact O-N 3.1Å; Q246-V250 WeakPolarHBondContact O-CG2 3.44Å; Q246-V250 PolarHBondContact O-N 3.27Å
247	Q	90	Very high	85.9	Confident	131 Å²	131	76.5 Å²	76.5	61%	0.612	39%	0.392	S	S	*	.	H	α-helix	trans	-59.1	-45.9	175.4	-76.8	178.1	-17.2	0	0	111.6	Q243 V244 S249 V250 E251	Q243-Q247 PolarHBondContact O-N 3.48Å; V244-Q247 WeakPolarHBondContact O-CB 3.33Å; V244-Q247 PolarHBondContact O-N 3.25Å; V244-Q247 VanDerWaalsContact O-N 3.1Å; Q247-S249 PolarHBondContact O-N 2.93Å; Q247-V250 PolarHBondContact O-N 3Å; Q247-V250 VanDerWaalsContact O-N 3.17Å; Q247-E251 PolarHBondContact O-N 3.4Å
248	Q	88.4	Confident	84.6	Confident	8 Å²	8	76.4 Å²	76.4	4%	0.037	38%	0.376	C	S	.	.	H	α-helix	trans	-57.6	-38.2	175.2	-67.1	177.9	-16.9	0	0	111.8	R111 R141 V143 V244 Q246 W252	R111-Q248 PolarHBondContact NH1-O 3.28Å; R111-Q248 PolarHBondContact NH2-O 2.84Å; R141-Q248 WeakPolarHBondContact O-CG 3.34Å; R141-Q248 PolarHBondContact O-NE2 3.09Å; V143-Q248 PolarHBondContact O-NE2 3.12Å; V244-Q248 HydrophobicContact CG1-CG 4.15Å; V244-Q248 WeakPolarHBondContact O-CG 3.29Å; V244-Q248 PolarHBondContact O-N 3.02Å; Q246-Q248 VanDerWaalsContact C-N 3.34Å; Q246-Q248 PolarHBondContact O-N 3.44Å; Q248-W252 VanDerWaalsContact O-CB 3.3Å; Q248-W252 WeakPolarHBondContact O-CB 3.36Å; Q248-W252 PolarHBondContact O-N 3.42Å
249	S	84.9	Confident	83.1	Confident	58 Å²	58	77.4 Å²	77.4	41%	0.406	38%	0.375	S	S	.	.	H	α-helix	trans	-70.1	-40.3	178.9	-58.5	0	0	0	0	111.5	R245 Q246 Q247 W252 L253	R245-S249 WeakPolarHBondContact O-CB 3.29Å; R245-S249 PolarHBondContact O-N 3.5Å; R245-S249 PolarHBondContact O-OG 2.94Å; Q246-S249 WeakPolarHBondContact O-CB 3.46Å; Q246-S249 PolarHBondContact O-N 3.33Å; Q246-S249 VanDerWaalsContact O-N 3.1Å; Q247-S249 PolarHBondContact O-N 2.93Å; S249-W252 PolarHBondContact O-N 3.29Å; S249-L253 WeakPolarHBondContact O-CB 3.35Å; S249-L253 PolarHBondContact O-N 3.42Å
250	V	82.5	Confident	81.6	Confident	99 Å²	99	81.5 Å²	81.5	60%	0.6	39%	0.387	S	S	*	.	H	α-helix	trans	-66	-46.7	174.7	172.7	0	0	0	0	111.4	Q246 Q247 W252 L253 R254	Q246-V250 WeakPolarHBondContact O-CG2 3.44Å; Q246-V250 PolarHBondContact O-N 3.27Å; Q247-V250 PolarHBondContact O-N 3Å; Q247-V250 VanDerWaalsContact O-N 3.17Å; V250-W252 PolarHBondContact O-N 3.02Å; V250-L253 PolarHBondContact O-N 3.1Å; V250-R254 WeakPolarHBondContact O-CB 3.11Å; V250-R254 PolarHBondContact O-N 3.38Å
251	E	80.5	Confident	80.1	Confident	94 Å²	94	81.3 Å²	81.3	44%	0.439	39%	0.394	S	S	.	.	H	α-helix	trans	-59	-39.3	175.9	-79.2	-169	152.5	0	0	111.5	Q247 R254 K255	Q247-E251 PolarHBondContact O-N 3.4Å; E251-R254 PolarHBondContact O-N 3.22Å; E251-K255 PolarHBondContact O-N 3.39Å
252	W	78	Confident	78.5	Confident	57 Å²	57	84.2 Å²	84.2	22%	0.216	41%	0.409	C	S	.	.	H	α-helix	trans	-67.9	-46.7	176.9	177.7	62	0	0	0	112.7	R111 L115 Q248 S249 V250 R254 K255 Q256	R111-W252 VanDerWaalsContact CZ-CB 3.44Å; L115-W252 HydrophobicContact CD1-CH2 4.22Å; L115-W252 HydrophobicContact CD1-CZ2 4.4Å; Q248-W252 VanDerWaalsContact O-CB 3.3Å; Q248-W252 WeakPolarHBondContact O-CB 3.36Å; Q248-W252 PolarHBondContact O-N 3.42Å; S249-W252 PolarHBondContact O-N 3.29Å; V250-W252 PolarHBondContact O-N 3.02Å; W252-R254 PolarHBondContact O-N 2.78Å; W252-K255 PolarHBondContact O-N 2.81Å; W252-Q256 HydrophobicContact CD2-CG 4.39Å; W252-Q256 HydrophobicContact CZ2-CG 4.14Å; W252-Q256 WeakPolarHBondContact O-CB 3.28Å; W252-Q256 PolarHBondContact O-N 3.01Å
253	L	76.3	Confident	76.9	Confident	110 Å²	110	82.6 Å²	82.6	58%	0.576	41%	0.405	S	S	*	.	H	α-helix	trans	-57.6	-41.7	174.9	178.7	64.3	0	0	0	110.9	S249 V250 Q256 T257	S249-L253 WeakPolarHBondContact O-CB 3.35Å; S249-L253 PolarHBondContact O-N 3.42Å; V250-L253 PolarHBondContact O-N 3.1Å; L253-Q256 PolarHBondContact O-N 3.22Å; L253-T257 WeakPolarHBondContact O-CB 3.49Å; L253-T257 PolarHBondContact O-N 3.32Å; L253-T257 PolarHBondContact O-OG1 3.19Å
254	R	73	Confident	75.3	Confident	166 Å²	166	85.4 Å²	85.4	63%	0.626	42%	0.418	S	S	*	.	H	α-helix	trans	-61.1	-51.2	176.1	-178.1	-179.5	172.8	173.2	0.6	111.5	V250 E251 W252 Q256 T257 E258	V250-R254 WeakPolarHBondContact O-CB 3.11Å; V250-R254 PolarHBondContact O-N 3.38Å; E251-R254 PolarHBondContact O-N 3.22Å; W252-R254 PolarHBondContact O-N 2.78Å; R254-Q256 PolarHBondContact O-N 2.8Å; R254-T257 PolarHBondContact O-N 3.24Å; R254-E258 HydrophobicContact CG-CG 4.48Å; R254-E258 IonicContact CZ-OE1 3.49Å; R254-E258 IonicContact NE-OE1 3.52Å; R254-E258 PolarHBondContact NE-OE1 2.93Å; R254-E258 IonicContact NH2-OE1 2.67Å; R254-E258 PolarHBondContact NH2-OE1 3.33Å; R254-E258 WeakPolarHBondContact O-CB 3.38Å; R254-E258 WeakPolarHBondContact O-CG 3.1Å; R254-E258 PolarHBondContact O-N 3.1Å
255	K	71.8	Confident	73.4	Confident	107 Å²	107	87.9 Å²	87.9	47%	0.465	43%	0.43	S	S	.	.	H	α-helix	trans	-59.9	-44.9	177.6	-91.9	-165.6	170.2	-167.6	0	112.3	E138 E251 W252 E258 E259	E138-K255 IonicContact OE1-NZ 3.43Å; E138-K255 PolarHBondContact OE1-NZ 3Å; E251-K255 PolarHBondContact O-N 3.39Å; W252-K255 PolarHBondContact O-N 2.81Å; K255-E258 PolarHBondContact O-N 3.3Å; K255-E259 PolarHBondContact O-N 2.87Å
256	Q	70.3	Confident	71.6	Confident	42 Å²	42	92 Å²	92	20%	0.196	45%	0.45	C	S	.	.	H	α-helix	trans	-60.6	-45	176.1	-83.4	-77.8	-14	0	0	111.3	E112 W252 L253 R254 E259 E260	E112-Q256 PolarHBondContact OE1-NE2 2.96Å; W252-Q256 HydrophobicContact CD2-CG 4.39Å; W252-Q256 HydrophobicContact CZ2-CG 4.14Å; W252-Q256 WeakPolarHBondContact O-CB 3.28Å; W252-Q256 PolarHBondContact O-N 3.01Å; L253-Q256 PolarHBondContact O-N 3.22Å; R254-Q256 PolarHBondContact O-N 2.8Å; Q256-E259 PolarHBondContact O-N 3.29Å; Q256-E260 VanDerWaalsContact O-CB 3.29Å; Q256-E260 WeakPolarHBondContact O-CB 3.25Å; Q256-E260 PolarHBondContact O-N 3.44Å
257	T	67.7	Low	69.9	Low	71 Å²	71	90.4 Å²	90.4	44%	0.436	46%	0.456	S	S	.	.	H	α-helix	trans	-65	-43.7	177.5	-52.5	0	0	0	0	111.1	L253 R254 E260 V261	L253-T257 WeakPolarHBondContact O-CB 3.49Å; L253-T257 PolarHBondContact O-N 3.32Å; L253-T257 PolarHBondContact O-OG1 3.19Å; R254-T257 PolarHBondContact O-N 3.24Å; T257-E260 PolarHBondContact O-N 2.92Å; T257-V261 HydrophobicContact CG2-CG2 4.08Å; T257-V261 WeakPolarHBondContact O-CB 3.25Å; T257-V261 WeakPolarHBondContact O-CG2 3.17Å; T257-V261 PolarHBondContact O-N 3.06Å
258	E	67.7	Low	68.2	Low	90 Å²	90	88.4 Å²	88.4	42%	0.421	45%	0.45	S	S	.	.	H	α-helix	trans	-59.3	-47	176	-78.1	172.8	-176.5	0	0	110.8	R254 K255 L262	R254-E258 HydrophobicContact CG-CG 4.48Å; R254-E258 IonicContact CZ-OE1 3.49Å; R254-E258 IonicContact NE-OE1 3.52Å; R254-E258 PolarHBondContact NE-OE1 2.93Å; R254-E258 IonicContact NH2-OE1 2.67Å; R254-E258 PolarHBondContact NH2-OE1 3.33Å; R254-E258 WeakPolarHBondContact O-CB 3.38Å; R254-E258 WeakPolarHBondContact O-CG 3.1Å; R254-E258 PolarHBondContact O-N 3.1Å; K255-E258 PolarHBondContact O-N 3.3Å; E258-L262 WeakPolarHBondContact O-CB 3.43Å; E258-L262 WeakPolarHBondContact O-CD1 3.5Å; E258-L262 WeakPolarHBondContact O-CG 3.47Å; E258-L262 PolarHBondContact O-N 3.06Å
259	E	65	Low	66.6	Low	72 Å²	72	95.1 Å²	95.1	34%	0.336	48%	0.481	S	S	.	.	H	α-helix	trans	-65.3	-45.1	175.8	-89.5	-176.7	162.8	0	0	113.3	Q108 K255 Q256 L262 N263	Q108-E259 PolarHBondContact NE2-OE2 2.8Å; Q108-E259 PolarHBondContact OE1-OE2 3.39Å; Q108-E259 VanDerWaalsContact OE1-OE2 3.09Å; K255-E259 PolarHBondContact O-N 2.87Å; Q256-E259 PolarHBondContact O-N 3.29Å; E259-L262 PolarHBondContact O-N 2.63Å; E259-N263 VanDerWaalsContact O-CB 3.28Å; E259-N263 WeakPolarHBondContact O-CB 3.45Å; E259-N263 PolarHBondContact O-N 3.29Å; E259-N263 PolarHBondContact O-ND2 3.17Å; E259-N263 VanDerWaalsContact O-ND2 3.14Å
260	E	63.8	Low	65.5	Low	113 Å²	113	96 Å²	96	53%	0.528	48%	0.481	S	S	.	.	H	α-helix	trans	-63.4	-44.2	179.7	-162.6	81.5	-169.4	0	0	110.4	Q256 T257 N263 H264	Q256-E260 VanDerWaalsContact O-CB 3.29Å; Q256-E260 WeakPolarHBondContact O-CB 3.25Å; Q256-E260 PolarHBondContact O-N 3.44Å; T257-E260 PolarHBondContact O-N 2.92Å; E260-N263 PolarHBondContact O-N 3.21Å; E260-H264 WeakPolarHBondContact O-CB 3.17Å; E260-H264 PolarHBondContact O-N 3.32Å
261	V	64.5	Low	64	Low	75 Å²	75	92.8 Å²	92.8	46%	0.455	46%	0.459	S	S	.	.	H	α-helix	trans	-64.3	-46.7	175.9	168.9	0	0	0	0	110.3	T257 N263 H264 L265	T257-V261 HydrophobicContact CG2-CG2 4.08Å; T257-V261 WeakPolarHBondContact O-CB 3.25Å; T257-V261 WeakPolarHBondContact O-CG2 3.17Å; T257-V261 PolarHBondContact O-N 3.06Å; V261-N263 VanDerWaalsContact C-N 3.33Å; V261-N263 PolarHBondContact O-N 3.06Å; V261-H264 PolarHBondContact O-N 2.69Å; V261-L265 HydrophobicContact CG1-CD1 3.63Å; V261-L265 HydrophobicContact CG1-CG 4.12Å; V261-L265 VanDerWaalsContact O-CB 3.22Å; V261-L265 WeakPolarHBondContact O-CB 3.36Å; V261-L265 WeakPolarHBondContact O-CG 3.24Å; V261-L265 PolarHBondContact O-N 3.05Å
262	L	60.3	Low	62.9	Low	76 Å²	76	90.3 Å²	90.3	40%	0.398	45%	0.449	S	S	.	.	H	α-helix	trans	-59	-45.8	175.1	-77.1	169.7	0	0	0	110.7	E258 E259 H264 L265 F266	E258-L262 WeakPolarHBondContact O-CB 3.43Å; E258-L262 WeakPolarHBondContact O-CD1 3.5Å; E258-L262 WeakPolarHBondContact O-CG 3.47Å; E258-L262 PolarHBondContact O-N 3.06Å; E259-L262 PolarHBondContact O-N 2.63Å; L262-H264 VanDerWaalsContact C-N 3.35Å; L262-H264 PolarHBondContact O-N 3.4Å; L262-L265 PolarHBondContact O-N 3.38Å; L262-F266 HydrophobicContact CB-CD2 4.06Å; L262-F266 HydrophobicContact CB-CE2 3.91Å; L262-F266 HydrophobicContact CD2-CE2 3.82Å; L262-F266 HydrophobicContact CD2-CZ 4.32Å; L262-F266 HydrophobicContact CG-CE2 4.38Å; L262-F266 WeakPolarHBondContact O-CB 3.24Å; L262-F266 WeakPolarHBondContact O-CD2 3.46Å; L262-F266 WeakPolarHBondContact O-CG 3.21Å; L262-F266 PolarHBondContact O-N 3.08Å
263	N	60	Low	62.1	Low	101 Å²	101	92.9 Å²	92.9	54%	0.54	46%	0.459	S	S	.	.	H	α-helix	trans	-61	-42.6	177	-73.7	-30.5	0	0	0	111.8	E259 E260 V261 A267	E259-N263 VanDerWaalsContact O-CB 3.28Å; E259-N263 WeakPolarHBondContact O-CB 3.45Å; E259-N263 PolarHBondContact O-N 3.29Å; E259-N263 PolarHBondContact O-ND2 3.17Å; E259-N263 VanDerWaalsContact O-ND2 3.14Å; E260-N263 PolarHBondContact O-N 3.21Å; V261-N263 VanDerWaalsContact C-N 3.33Å; V261-N263 PolarHBondContact O-N 3.06Å; N263-A267 WeakPolarHBondContact O-CB 2.97Å; N263-A267 PolarHBondContact O-N 3.35Å
264	H	59.5	Low	61.4	Low	149 Å²	149	94.6 Å²	94.6	69%	0.69	46%	0.459	S	S	*	.	H	α-helix	trans	-66.6	-39.8	177	-127.5	73.1	0	0	0	112.1	E260 V261 L262 N268	E260-H264 WeakPolarHBondContact O-CB 3.17Å; E260-H264 PolarHBondContact O-N 3.32Å; V261-H264 PolarHBondContact O-N 2.69Å; L262-H264 VanDerWaalsContact C-N 3.35Å; L262-H264 PolarHBondContact O-N 3.4Å; H264-N268 PolarHBondContact O-N 3.15Å
265	L	54	Low	61	Low	68 Å²	68	92 Å²	92	36%	0.356	45%	0.45	S	S	.	.	H	α-helix	trans	-64.5	-54.3	175.3	-76.9	173.4	0	0	0	110.1	V261 L262 A267 N268 F271	V261-L265 HydrophobicContact CG1-CD1 3.63Å; V261-L265 HydrophobicContact CG1-CG 4.12Å; V261-L265 VanDerWaalsContact O-CB 3.22Å; V261-L265 WeakPolarHBondContact O-CB 3.36Å; V261-L265 WeakPolarHBondContact O-CG 3.24Å; V261-L265 PolarHBondContact O-N 3.05Å; L262-L265 PolarHBondContact O-N 3.38Å; L265-A267 PolarHBondContact O-N 3.2Å; L265-N268 WeakPolarHBondContact O-CB 3.48Å; L265-N268 PolarHBondContact O-N 3.07Å; L265-F271 HydrophobicContact CB-CD2 3.66Å; L265-F271 HydrophobicContact CB-CE1 4.38Å; L265-F271 HydrophobicContact CB-CE2 3.52Å; L265-F271 HydrophobicContact CB-CG 4.17Å; L265-F271 HydrophobicContact CB-CZ 3.89Å; L265-F271 HydrophobicContact CD1-CE2 3.93Å; L265-F271 HydrophobicContact CD1-CZ 4.38Å; L265-F271 HydrophobicContact CD2-CD2 3.8Å; L265-F271 HydrophobicContact CD2-CE2 3.78Å; L265-F271 HydrophobicContact CG-CD2 4.22Å; L265-F271 HydrophobicContact CG-CE2 3.94Å; L265-F271 WeakPolarHBondContact O-CB 3.46Å; L265-F271 WeakPolarHBondContact O-CG 3.3Å
266	F	54.8	Low	60.6	Low	130 Å²	130	88.4 Å²	88.4	57%	0.57	43%	0.433	S	S	*	.	H	α-helix	trans	-62.6	-23.5	178.2	-71.6	-59.9	0	0	0	113.8	L262 N268 F271	L262-F266 HydrophobicContact CB-CD2 4.06Å; L262-F266 HydrophobicContact CB-CE2 3.91Å; L262-F266 HydrophobicContact CD2-CE2 3.82Å; L262-F266 HydrophobicContact CD2-CZ 4.32Å; L262-F266 HydrophobicContact CG-CE2 4.38Å; L262-F266 WeakPolarHBondContact O-CB 3.24Å; L262-F266 WeakPolarHBondContact O-CD2 3.46Å; L262-F266 WeakPolarHBondContact O-CG 3.21Å; L262-F266 PolarHBondContact O-N 3.08Å; F266-N268 VanDerWaalsContact C-N 3.32Å; F266-F271 AromaticContact CD1-CD1 3.77Å; F266-F271 HydrophobicContact CD1-CD1 3.77Å; F266-F271 AromaticContact CD1-CE1 3.5Å; F266-F271 HydrophobicContact CD1-CE1 3.5Å; F266-F271 HydrophobicContact CE1-CD1 4.23Å; F266-F271 AromaticContact CE1-CE1 3.53Å; F266-F271 HydrophobicContact CE1-CE1 3.53Å; F266-F271 HydrophobicContact CE1-CZ 4.47Å; F266-F271 HydrophobicContact CG-CD1 4.47Å; F266-F271 HydrophobicContact CG-CE1 4.25Å; F266-F271 HydrophobicContact CZ-CE1 4.28Å
267	A	54.5	Low	60.6	Low	82 Å²	82	91.6 Å²	91.6	68%	0.678	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.9	-10	174.8	0	0	0	0	0	113.7	N263 L265	N263-A267 WeakPolarHBondContact O-CB 2.97Å; N263-A267 PolarHBondContact O-N 3.35Å; L265-A267 PolarHBondContact O-N 3.2Å
268	N	55.3	Low	60.7	Low	89 Å²	89	92.2 Å²	92.2	48%	0.476	45%	0.452	S	S	.	.	S	Bend	trans	-86.9	124.5	178	-172	-14.9	0	0	0	110.2	H264 L265 F266 D270 F271	H264-N268 PolarHBondContact O-N 3.15Å; L265-N268 WeakPolarHBondContact O-CB 3.48Å; L265-N268 PolarHBondContact O-N 3.07Å; F266-N268 VanDerWaalsContact C-N 3.32Å; N268-D270 PolarHBondContact O-N 3.47Å; N268-D270 PolarHBondContact OD1-N 2.79Å; N268-F271 HydrophobicContact CB-CB 4.24Å; N268-F271 WeakPolarHBondContact O-CB 3.38Å; N268-F271 PolarHBondContact O-N 3.33Å
269	E	55.3	Low	61	Low	148 Å²	148	89.8 Å²	89.8	69%	0.692	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	-29.8	-178.9	-66.4	-179.4	171.8	0	0	112.7	F271	E269-F271 VanDerWaalsContact C-N 3.28Å; E269-F271 PolarHBondContact O-N 2.69Å
270	D	60	Low	61.4	Low	78 Å²	78	88 Å²	88	42%	0.417	43%	0.434	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-8.8	176.1	-78.4	-41.5	0	0	0	113.4	N268 D272 R273 Y274	N268-D270 PolarHBondContact O-N 3.47Å; N268-D270 PolarHBondContact OD1-N 2.79Å; D270-D272 VanDerWaalsContact C-N 3.34Å; D270-D272 PolarHBondContact O-N 3.13Å; D270-R273 WeakPolarHBondContact O-CB 3.29Å; D270-R273 PolarHBondContact O-N 3.26Å; D270-R273 IonicContact OD1-NH1 2.86Å; D270-Y274 HydrophobicContact CB-CD2 4.32Å; D270-Y274 PolarHBondContact O-N 3.32Å
271	F	52.4	Low	62.1	Low	30 Å²	30	84.9 Å²	84.9	13%	0.132	43%	0.428	C	S	.	.	H	α-helix	trans	-67.5	-33	-171.9	-176.7	-105.5	0	0	0	112.8	L265 F266 N268 E269 R273 Y274 Y275	L265-F271 HydrophobicContact CB-CD2 3.66Å; L265-F271 HydrophobicContact CB-CE1 4.38Å; L265-F271 HydrophobicContact CB-CE2 3.52Å; L265-F271 HydrophobicContact CB-CG 4.17Å; L265-F271 HydrophobicContact CB-CZ 3.89Å; L265-F271 HydrophobicContact CD1-CE2 3.93Å; L265-F271 HydrophobicContact CD1-CZ 4.38Å; L265-F271 HydrophobicContact CD2-CD2 3.8Å; L265-F271 HydrophobicContact CD2-CE2 3.78Å; L265-F271 HydrophobicContact CG-CD2 4.22Å; L265-F271 HydrophobicContact CG-CE2 3.94Å; L265-F271 WeakPolarHBondContact O-CB 3.46Å; L265-F271 WeakPolarHBondContact O-CG 3.3Å; F266-F271 AromaticContact CD1-CD1 3.77Å; F266-F271 HydrophobicContact CD1-CD1 3.77Å; F266-F271 AromaticContact CD1-CE1 3.5Å; F266-F271 HydrophobicContact CD1-CE1 3.5Å; F266-F271 HydrophobicContact CE1-CD1 4.23Å; F266-F271 AromaticContact CE1-CE1 3.53Å; F266-F271 HydrophobicContact CE1-CE1 3.53Å; F266-F271 HydrophobicContact CE1-CZ 4.47Å; F266-F271 HydrophobicContact CG-CD1 4.47Å; F266-F271 HydrophobicContact CG-CE1 4.25Å; F266-F271 HydrophobicContact CZ-CE1 4.28Å; N268-F271 HydrophobicContact CB-CB 4.24Å; N268-F271 WeakPolarHBondContact O-CB 3.38Å; N268-F271 PolarHBondContact O-N 3.33Å; E269-F271 VanDerWaalsContact C-N 3.28Å; E269-F271 PolarHBondContact O-N 2.69Å; F271-R273 VanDerWaalsContact C-N 3.29Å; F271-R273 PolarHBondContact O-N 2.94Å; F271-Y274 CarbonylContact O-C 3.56Å; F271-Y274 PolarHBondContact O-N 3.49Å; F271-Y274 VanDerWaalsContact O-N 3.17Å; F271-Y275 HydrophobicContact CE1-CD2 4.1Å; F271-Y275 HydrophobicContact CE1-CG 4.27Å; F271-Y275 HydrophobicContact CZ-CD2 4.02Å; F271-Y275 HydrophobicContact CZ-CG 4.49Å; F271-Y275 WeakPolarHBondContact O-CB 3.03Å; F271-Y275 PolarHBondContact O-N 3.4Å
272	D	56.7	Low	62.7	Low	42 Å²	42	83.2 Å²	83.2	23%	0.225	42%	0.422	C	S	.	.	H	α-helix	trans	-66.4	-37	-179.9	-153.4	40.1	0	0	0	111	D270 R276 D310	D270-D272 VanDerWaalsContact C-N 3.34Å; D270-D272 PolarHBondContact O-N 3.13Å; D272-R276 WeakPolarHBondContact O-CB 3.37Å; D272-R276 WeakPolarHBondContact O-CD 3.35Å; D272-R276 WeakPolarHBondContact O-CG 3.33Å; D272-R276 PolarHBondContact O-N 3.43Å; D272-R276 IonicContact OD1-NE 3.47Å; D272-R276 IonicContact OD2-CZ 3.12Å; D272-R276 VanDerWaalsContact OD2-CZ 3.23Å; D272-R276 IonicContact OD2-NE 3.06Å; D272-R276 PolarHBondContact OD2-NE 2.85Å; D272-R276 VanDerWaalsContact OD2-NE 3.12Å; D272-R276 IonicContact OD2-NH2 3.22Å; D272-R276 PolarHBondContact OD2-NH2 2.7Å; D272-D310 HydrophobicContact CB-CB 4.21Å
273	R	61.8	Low	63.5	Low	111 Å²	111	79.7 Å²	79.7	42%	0.419	40%	0.403	S	S	.	.	H	α-helix	trans	-62.6	-47.1	169.4	-169.2	-179.4	-59	158.5	8.7	112.3	D270 F271 R276 Q277 E313	D270-R273 WeakPolarHBondContact O-CB 3.29Å; D270-R273 PolarHBondContact O-N 3.26Å; D270-R273 IonicContact OD1-NH1 2.86Å; F271-R273 VanDerWaalsContact C-N 3.29Å; F271-R273 PolarHBondContact O-N 2.94Å; R273-R276 PolarHBondContact O-N 2.94Å; R273-Q277 WeakPolarHBondContact O-CG 3.42Å; R273-Q277 PolarHBondContact O-N 2.81Å; R273-E313 WeakPolarHBondContact CB-OE1 3.49Å; R273-E313 IonicContact CZ-OE1 3.26Å; R273-E313 VanDerWaalsContact CZ-OE1 3.29Å; R273-E313 IonicContact NE-OE1 2.62Å; R273-E313 PolarHBondContact NE-OE1 3.03Å; R273-E313 IonicContact NH2-OE1 3.2Å; R273-E313 PolarHBondContact NH2-OE1 3.34Å
274	Y	62.3	Low	64.6	Low	147 Å²	147	78.4 Å²	78.4	58%	0.576	40%	0.402	S	S	*	.	H	α-helix	trans	-65.5	-40.2	178.5	-96.5	-78.8	0	0	0	112.7	D270 F271 R276 Q277 T278	D270-Y274 HydrophobicContact CB-CD2 4.32Å; D270-Y274 PolarHBondContact O-N 3.32Å; F271-Y274 CarbonylContact O-C 3.56Å; F271-Y274 PolarHBondContact O-N 3.49Å; F271-Y274 VanDerWaalsContact O-N 3.17Å; Y274-R276 VanDerWaalsContact C-N 3.35Å; Y274-Q277 PolarHBondContact O-N 3.08Å; Y274-T278 VanDerWaalsContact O-CB 3.3Å; Y274-T278 WeakPolarHBondContact O-CB 3.23Å; Y274-T278 PolarHBondContact O-N 3.02Å; Y274-T278 PolarHBondContact O-OG1 3.45Å
275	Y	62.7	Low	65.7	Low	112 Å²	112	76.7 Å²	76.7	44%	0.439	40%	0.398	S	S	.	.	H	α-helix	trans	-62.1	-45.2	177.6	179.4	-103.7	0	0	0	110	F271 T278 L279	F271-Y275 HydrophobicContact CE1-CD2 4.1Å; F271-Y275 HydrophobicContact CE1-CG 4.27Å; F271-Y275 HydrophobicContact CZ-CD2 4.02Å; F271-Y275 HydrophobicContact CZ-CG 4.49Å; F271-Y275 WeakPolarHBondContact O-CB 3.03Å; F271-Y275 PolarHBondContact O-N 3.4Å; Y275-T278 PolarHBondContact O-N 2.64Å; Y275-L279 PolarHBondContact O-N 3.19Å
276	R	65	Low	67.1	Low	30 Å²	30	76 Å²	76	11%	0.113	40%	0.395	C	S	.	.	H	α-helix	trans	-64.5	-43.1	175.3	-67.7	169.8	-165.9	-146.2	0.8	112.3	D272 R273 Y274 T278 L279 L280 G308 H309 P327	D272-R276 WeakPolarHBondContact O-CB 3.37Å; D272-R276 WeakPolarHBondContact O-CD 3.35Å; D272-R276 WeakPolarHBondContact O-CG 3.33Å; D272-R276 PolarHBondContact O-N 3.43Å; D272-R276 IonicContact OD1-NE 3.47Å; D272-R276 IonicContact OD2-CZ 3.12Å; D272-R276 VanDerWaalsContact OD2-CZ 3.23Å; D272-R276 IonicContact OD2-NE 3.06Å; D272-R276 PolarHBondContact OD2-NE 2.85Å; D272-R276 VanDerWaalsContact OD2-NE 3.12Å; D272-R276 IonicContact OD2-NH2 3.22Å; D272-R276 PolarHBondContact OD2-NH2 2.7Å; R273-R276 PolarHBondContact O-N 2.94Å; Y274-R276 VanDerWaalsContact C-N 3.35Å; R276-T278 VanDerWaalsContact C-N 3.31Å; R276-T278 PolarHBondContact O-N 3.12Å; R276-L279 PolarHBondContact O-N 3.31Å; R276-L280 WeakPolarHBondContact O-CG 3.5Å; R276-L280 PolarHBondContact O-N 3.21Å; R276-G308 PolarHBondContact NH2-O 2.82Å; R276-H309 PolarHBondContact NH1-NE2 2.69Å; R276-P327 HydrophobicContact CB-CB 4.36Å
277	Q	69.1	Low	68.8	Low	110 Å²	110	73.8 Å²	73.8	51%	0.514	39%	0.388	S	S	.	.	H	α-helix	trans	-63.5	-37.5	173.7	-74.9	-178.3	4.8	0	0	112.3	R273 Y274 L280 A281	R273-Q277 WeakPolarHBondContact O-CG 3.42Å; R273-Q277 PolarHBondContact O-N 2.81Å; Y274-Q277 PolarHBondContact O-N 3.08Å; Q277-L280 PolarHBondContact O-N 2.89Å; Q277-A281 WeakPolarHBondContact O-CB 3.27Å; Q277-A281 PolarHBondContact O-N 2.79Å
278	T	70.1	Confident	70.4	Confident	84 Å²	84	75.4 Å²	75.4	52%	0.515	38%	0.377	S	S	.	.	H	α-helix	trans	-67.5	-38.9	177.1	-56.3	0	0	0	0	111	Y274 Y275 R276 A281 A282	Y274-T278 VanDerWaalsContact O-CB 3.3Å; Y274-T278 WeakPolarHBondContact O-CB 3.23Å; Y274-T278 PolarHBondContact O-N 3.02Å; Y274-T278 PolarHBondContact O-OG1 3.45Å; Y275-T278 PolarHBondContact O-N 2.64Å; R276-T278 VanDerWaalsContact C-N 3.31Å; R276-T278 PolarHBondContact O-N 3.12Å; T278-A281 PolarHBondContact O-N 3.37Å; T278-A282 VanDerWaalsContact O-CB 3.29Å; T278-A282 WeakPolarHBondContact O-CB 3.41Å; T278-A282 PolarHBondContact O-N 2.61Å
279	L	73.5	Confident	71.9	Confident	39 Å²	39	76.3 Å²	76.3	20%	0.204	39%	0.388	C	S	.	.	H	α-helix	trans	-63.7	-43.2	174.5	-175.3	63.5	0	0	0	111.6	Y275 R276 A282 L283 L296 I331	Y275-L279 PolarHBondContact O-N 3.19Å; R276-L279 PolarHBondContact O-N 3.31Å; L279-A282 PolarHBondContact O-N 3.45Å; L279-L283 PolarHBondContact O-N 3.04Å; L279-L296 HydrophobicContact CD1-CD2 4.12Å; L279-I331 HydrophobicContact CD2-CD1 3.8Å; L279-I331 HydrophobicContact CD2-CG1 4.05Å; L279-I331 HydrophobicContact CG-CD1 3.96Å
280	L	74.4	Confident	73.6	Confident	33 Å²	33	75 Å²	75	17%	0.173	38%	0.382	C	S	.	.	H	α-helix	trans	-60.3	-46	173.3	-68.4	169.9	0	0	0	111.2	R276 Q277 L283 S284 Q330 I331 M334	R276-L280 WeakPolarHBondContact O-CG 3.5Å; R276-L280 PolarHBondContact O-N 3.21Å; Q277-L280 PolarHBondContact O-N 2.89Å; L280-L283 PolarHBondContact O-N 3.45Å; L280-S284 PolarHBondContact O-N 2.96Å; L280-Q330 HydrophobicContact CD1-CB 4.32Å; L280-I331 HydrophobicContact CD2-CB 4.23Å; L280-I331 HydrophobicContact CD2-CD1 3.59Å; L280-I331 HydrophobicContact CG-CD1 4.18Å; L280-M334 HydrophobicContact CB-SD 4.13Å; L280-M334 HydrophobicContact CD2-CB 3.92Å; L280-M334 HydrophobicContact CD2-CG 4.25Å; L280-M334 HydrophobicContact CD2-SD 3.31Å; L280-M334 WeakPolarHBondContact CD2-SD 3.39Å; L280-M334 HydrophobicContact CG-SD 4.32Å; L280-M334 WeakPolarHBondContact O-CE 3.07Å
281	A	77.5	Confident	75.1	Confident	48 Å²	48	73.2 Å²	73.2	40%	0.397	37%	0.372	S	S	.	.	H	α-helix	trans	-62.2	-45.6	177.4	0	0	0	0	0	111.8	Q277 T278 L283 S284 D285	Q277-A281 WeakPolarHBondContact O-CB 3.27Å; Q277-A281 PolarHBondContact O-N 2.79Å; T278-A281 PolarHBondContact O-N 3.37Å; A281-L283 PolarHBondContact O-N 3.08Å; A281-S284 WeakPolarHBondContact O-CB 3.43Å; A281-S284 PolarHBondContact O-N 3.09Å; A281-S284 VanDerWaalsContact O-N 3.11Å; A281-D285 PolarHBondContact O-N 3.37Å
282	A	78.2	Confident	77	Confident	40 Å²	40	76.6 Å²	76.6	33%	0.331	38%	0.384	S	S	.	.	H	α-helix	trans	-61.7	-42	178.4	0	0	0	0	0	112.2	T278 L279 S284 D285 L286	T278-A282 VanDerWaalsContact O-CB 3.29Å; T278-A282 WeakPolarHBondContact O-CB 3.41Å; T278-A282 PolarHBondContact O-N 2.61Å; L279-A282 PolarHBondContact O-N 3.45Å; A282-S284 VanDerWaalsContact C-N 3.33Å; A282-S284 PolarHBondContact O-N 2.95Å; A282-D285 PolarHBondContact O-N 3.05Å; A282-L286 WeakPolarHBondContact O-CB 3.41Å; A282-L286 WeakPolarHBondContact O-CG 3.12Å; A282-L286 PolarHBondContact O-N 3.33Å
283	L	76.7	Confident	78.9	Confident	3 Å²	3	75.6 Å²	75.6	2%	0.016	38%	0.38	C	S	.	.	H	α-helix	trans	-63.1	-40.8	173.9	-76.7	175.6	0	0	0	111.5	L279 L280 A281 L286 N287 I294 I331 M334 I335 F338 I342	L279-L283 PolarHBondContact O-N 3.04Å; L280-L283 PolarHBondContact O-N 3.45Å; A281-L283 PolarHBondContact O-N 3.08Å; L283-L286 PolarHBondContact O-N 2.87Å; L283-N287 PolarHBondContact O-N 2.82Å; L283-I294 HydrophobicContact CD2-CG2 3.93Å; L283-I331 HydrophobicContact CD1-CD1 3.9Å; L283-M334 HydrophobicContact CB-CE 3.39Å; L283-M334 HydrophobicContact CB-SD 3.85Å; L283-M334 HydrophobicContact CD1-CE 4.48Å; L283-M334 HydrophobicContact CD1-CG 4.34Å; L283-M334 HydrophobicContact CD1-SD 3.93Å; L283-I335 HydrophobicContact CD1-CG1 4.41Å; L283-F338 HydrophobicContact CB-CE2 4.25Å; L283-F338 WeakPolarHBondContact O-CE2 3.35Å; L283-F338 VanDerWaalsContact O-CZ 3.29Å; L283-F338 WeakPolarHBondContact O-CZ 3.31Å; L283-I342 HydrophobicContact CD2-CD1 4.34Å
284	S	82.3	Confident	80.4	Confident	74 Å²	74	70.7 Å²	70.7	52%	0.517	36%	0.362	S	S	.	.	H	α-helix	trans	-60.9	-46	175.6	-175.4	0	0	0	0	111.2	L280 A281 A282 L286 N287	L280-S284 PolarHBondContact O-N 2.96Å; A281-S284 WeakPolarHBondContact O-CB 3.43Å; A281-S284 PolarHBondContact O-N 3.09Å; A281-S284 VanDerWaalsContact O-N 3.11Å; A282-S284 VanDerWaalsContact C-N 3.33Å; A282-S284 PolarHBondContact O-N 2.95Å; S284-L286 VanDerWaalsContact C-N 3.29Å; S284-L286 PolarHBondContact O-N 2.86Å; S284-N287 WeakPolarHBondContact O-CB 3.39Å; S284-N287 PolarHBondContact O-N 2.89Å; S284-N287 VanDerWaalsContact O-N 3.11Å
285	D	82.4	Confident	82.1	Confident	112 Å²	112	66 Å²	66	60%	0.599	35%	0.346	S	S	*	.	H	α-helix	trans	-66.5	-30.2	178.4	-70.1	-13.6	0	0	0	112.7	A281 A282 N287 R288	A281-D285 PolarHBondContact O-N 3.37Å; A282-D285 PolarHBondContact O-N 3.05Å; D285-N287 VanDerWaalsContact C-N 3.27Å; D285-N287 PolarHBondContact O-N 2.87Å; D285-R288 WeakPolarHBondContact O-CD 3.34Å; D285-R288 WeakPolarHBondContact O-CG 3.36Å; D285-R288 PolarHBondContact O-NE 2.99Å; D285-R288 VanDerWaalsContact O-NE 3.08Å
286	L	85.2	Confident	83.6	Confident	55 Å²	55	61.5 Å²	61.5	29%	0.288	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-5.2	175.4	-71.3	170.5	0	0	0	113.3	A282 L283 S284 R288 I291 I294	A282-L286 WeakPolarHBondContact O-CB 3.41Å; A282-L286 WeakPolarHBondContact O-CG 3.12Å; A282-L286 PolarHBondContact O-N 3.33Å; L283-L286 PolarHBondContact O-N 2.87Å; S284-L286 VanDerWaalsContact C-N 3.29Å; S284-L286 PolarHBondContact O-N 2.86Å; L286-R288 PolarHBondContact O-N 2.83Å; L286-I291 HydrophobicContact CD2-CD1 4.29Å; L286-I291 HydrophobicContact CD2-CG1 4.16Å; L286-I291 WeakPolarHBondContact O-CB 3.16Å; L286-I294 HydrophobicContact CB-CD1 4Å; L286-I294 HydrophobicContact CD1-CD1 4.18Å
287	N	89.7	Confident	84.9	Confident	82 Å²	82	64.2 Å²	64.2	44%	0.439	34%	0.34	S	S	.	.			trans	-77.9	60.3	176.6	-165.5	14.9	0	0	0	112.6	L283 S284 D285 F338 P339	L283-N287 PolarHBondContact O-N 2.82Å; S284-N287 WeakPolarHBondContact O-CB 3.39Å; S284-N287 PolarHBondContact O-N 2.89Å; S284-N287 VanDerWaalsContact O-N 3.11Å; D285-N287 VanDerWaalsContact C-N 3.27Å; D285-N287 PolarHBondContact O-N 2.87Å; N287-F338 HydrophobicContact CB-CE2 3.87Å; N287-F338 HydrophobicContact CB-CZ 3.95Å; N287-P339 WeakPolarHBondContact OD1-CG 3.29Å
288	R	87.2	Confident	85.8	Confident	117 Å²	117	59.4 Å²	59.4	44%	0.442	32%	0.319	S	S	.	.	S	Bend	trans	-118.7	152	-179.4	-59.2	178.8	-71.3	-168.1	-4.3	111.3	D285 L286 E290 I291 K340	D285-R288 WeakPolarHBondContact O-CD 3.34Å; D285-R288 WeakPolarHBondContact O-CG 3.36Å; D285-R288 PolarHBondContact O-NE 2.99Å; D285-R288 VanDerWaalsContact O-NE 3.08Å; L286-R288 PolarHBondContact O-N 2.83Å; R288-E290 VanDerWaalsContact C-N 3.25Å; R288-E290 VanDerWaalsContact CB-CD 3.45Å; R288-E290 HydrophobicContact CB-CG 4.35Å; R288-E290 WeakPolarHBondContact CB-OE1 3.44Å; R288-E290 WeakPolarHBondContact CB-OE2 3.35Å; R288-E290 WeakPolarHBondContact CD-OE1 3.29Å; R288-E290 IonicContact CZ-OE1 3.97Å; R288-E290 IonicContact NE-OE1 3.48Å; R288-E290 PolarHBondContact NE-OE1 3.43Å; R288-E290 PolarHBondContact O-N 2.99Å; R288-I291 PolarHBondContact O-N 2.72Å; R288-I291 VanDerWaalsContact O-N 3.15Å; R288-K340 VanDerWaalsContact O-CE 3.31Å; R288-K340 WeakPolarHBondContact O-CE 3.32Å; R288-K340 PolarHBondContact O-NZ 3.42Å
289	P	88.4	Confident	86.6	Confident	108 Å²	108	60.1 Å²	60.1	70%	0.701	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-29.2	-176.8	-26	35.7	0	0	0	115.3	R292	P289-R292 PolarHBondContact O-NE 3.42Å
290	E	90.8	Very high	87.1	Confident	120 Å²	120	62.2 Å²	62.2	56%	0.561	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.2	-25.4	178.1	62.1	-87.2	-158.5	0	0	113.3	R288	R288-E290 VanDerWaalsContact C-N 3.25Å; R288-E290 VanDerWaalsContact CB-CD 3.45Å; R288-E290 HydrophobicContact CB-CG 4.35Å; R288-E290 WeakPolarHBondContact CB-OE1 3.44Å; R288-E290 WeakPolarHBondContact CB-OE2 3.35Å; R288-E290 WeakPolarHBondContact CD-OE1 3.29Å; R288-E290 IonicContact CZ-OE1 3.97Å; R288-E290 IonicContact NE-OE1 3.48Å; R288-E290 PolarHBondContact NE-OE1 3.43Å; R288-E290 PolarHBondContact O-N 2.99Å
291	I	89.9	Confident	87.4	Confident	41 Å²	41	61.5 Å²	61.5	21%	0.21	34%	0.344	C	S	.	.			trans	-86	132.3	174.2	-55.1	-57.3	0	0	0	108.7	L286 R288 I294 K340	L286-I291 HydrophobicContact CD2-CD1 4.29Å; L286-I291 HydrophobicContact CD2-CG1 4.16Å; L286-I291 WeakPolarHBondContact O-CB 3.16Å; R288-I291 PolarHBondContact O-N 2.72Å; R288-I291 VanDerWaalsContact O-N 3.15Å; I291-I294 HydrophobicContact CG2-CD1 3.44Å; I291-I294 VanDerWaalsContact CG2-CD1 3.44Å; I291-K340 HydrophobicContact CB-CD 4.35Å; I291-K340 HydrophobicContact CG2-CD 4.07Å; I291-K340 VanDerWaalsContact O-CD 3.3Å; I291-K340 WeakPolarHBondContact O-CD 3.19Å; I291-K340 WeakPolarHBondContact O-CE 3.3Å; I291-K340 PolarHBondContact O-NZ 3.39Å
292	R	93.4	Very high	87.7	Confident	101 Å²	101	60.1 Å²	60.1	38%	0.381	33%	0.331	S	S	.	.			trans	-121.8	-28	-171.6	-59.4	-58.6	-174.8	75.6	1.8	114.5	P289 P341 S442	P289-R292 PolarHBondContact O-NE 3.42Å; R292-P341 WeakPolarHBondContact O-CD 3.33Å; R292-S442 WeakPolarHBondContact CB-OG 3.19Å; R292-S442 PolarHBondContact NH1-O 3.03Å
293	C	95.6	Very high	87.9	Confident	20 Å²	20	63.3 Å²	63.3	14%	0.135	34%	0.337	C	S	.	.			trans	-147.4	145.4	179.7	-168.1	0	0	0	0	108.2	A438	C293-A438 HydrophobicContact CB-CB 4.23Å
294	I	95	Very high	88.5	Confident	9 Å²	9	66.5 Å²	66.5	5%	0.046	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	141.6	179.4	-50	-61.7	0	0	0	108.9	L283 L286 I291 L296 F338 P341 I342 I343	L283-I294 HydrophobicContact CD2-CG2 3.93Å; L286-I294 HydrophobicContact CB-CD1 4Å; L286-I294 HydrophobicContact CD1-CD1 4.18Å; I291-I294 HydrophobicContact CG2-CD1 3.44Å; I291-I294 VanDerWaalsContact CG2-CD1 3.44Å; I294-L296 HydrophobicContact CG2-CD2 4.37Å; I294-F338 HydrophobicContact CD1-CE1 4.09Å; I294-F338 HydrophobicContact CG1-CD1 4.24Å; I294-F338 HydrophobicContact CG1-CE1 3.62Å; I294-F338 HydrophobicContact CG1-CZ 4.48Å; I294-P341 PolarHBondContact N-O 3.4Å; I294-I342 HydrophobicContact CB-CG1 4.08Å; I294-I342 HydrophobicContact CG1-CG1 4.32Å; I294-I342 WeakPolarHBondContact O-CA 3.43Å; I294-I343 PolarHBondContact O-N 3.3Å
295	I	96.6	Very high	88.9	Confident	48 Å²	48	64.1 Å²	64.1	25%	0.246	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	125.5	171.2	-64.1	164	0	0	0	108.5	R297 I343 M345 T434 L435 A438	I295-R297 HydrophobicContact CG2-CB 4.49Å; I295-I343 CarbonylContact C-O 3.58Å; I295-I343 WeakPolarHBondContact CA-O 3.4Å; I295-I343 HydrophobicContact CG1-CB 4.34Å; I295-M345 HydrophobicContact CG2-CB 3.74Å; I295-M345 HydrophobicContact CG2-SD 4.41Å; I295-T434 HydrophobicContact CD1-CG2 3.87Å; I295-T434 HydrophobicContact CG1-CG2 4.07Å; I295-T434 HydrophobicContact CG2-CG2 4.21Å; I295-L435 HydrophobicContact CD1-CD2 3.83Å; I295-A438 HydrophobicContact CD1-CB 3.89Å; I295-A438 HydrophobicContact CG1-CB 4.32Å
296	L	93.7	Very high	89.3	Confident	18 Å²	18	60.7 Å²	60.7	9%	0.094	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	125.7	168	-57.4	-178.3	0	0	0	108.4	L279 I294 I335 I342 I343 M345	L279-L296 HydrophobicContact CD1-CD2 4.12Å; I294-L296 HydrophobicContact CG2-CD2 4.37Å; L296-I335 HydrophobicContact CD1-CD1 4.06Å; L296-I342 HydrophobicContact CD1-CG2 3.74Å; L296-I342 HydrophobicContact CG-CG2 3.78Å; L296-I343 PolarHBondContact N-O 3.3Å; L296-M345 PolarHBondContact O-N 2.91Å
297	R	93.7	Very high	89.4	Confident	86 Å²	86	61.9 Å²	61.9	33%	0.325	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	153	179.4	71.5	178.3	-66.4	177	5.8	112.1	I295 M345 E431	I295-R297 HydrophobicContact CG2-CB 4.49Å; R297-M345 HydrophobicContact CB-CB 4.25Å; R297-M345 HydrophobicContact CB-CE 3.82Å; R297-M345 HydrophobicContact CG-CE 4.32Å; R297-E431 IonicContact CZ-OE1 2.87Å; R297-E431 IonicContact CZ-OE2 2.69Å; R297-E431 IonicContact NH1-OE1 2.71Å; R297-E431 PolarHBondContact NH1-OE1 3.35Å; R297-E431 IonicContact NH1-OE2 3.93Å; R297-E431 PolarHBondContact NH1-OE2 2.87Å; R297-E431 IonicContact NH2-OE2 3.51Å; R297-E431 PolarHBondContact NH2-OE2 3.11Å
298	A	88.3	Confident	89.2	Confident	9 Å²	9	58.5 Å²	58.5	7%	0.074	32%	0.324	C	S	.	.	P	Polyproline II helix	trans	-78.6	161.9	159	0	0	0	0	0	110.2	F305	A298-F305 HydrophobicContact CB-CD2 3.89Å; A298-F305 HydrophobicContact CB-CE2 4.42Å
299	P	86	Confident	88.7	Confident	99 Å²	99	54.6 Å²	54.6	64%	0.643	31%	0.311	S	S	*	.	P	Polyproline II helix	trans	-53.3	143.6	168.5	-25.2	34.8	0	0	0	111.3	G301 S302	P299-G301 PolarHBondContact O-N 3.5Å; P299-S302 VanDerWaalsContact O-CB 3.27Å; P299-S302 WeakPolarHBondContact O-CB 3.38Å; P299-S302 PolarHBondContact O-N 3.11Å; P299-S302 PolarHBondContact O-OG 3.2Å
300	S	83.2	Confident	88.3	Confident	84 Å²	84	51.1 Å²	51.1	59%	0.587	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	138.6	178.1	-176.9	0	0	0	0	111.4	E347	S300-E347 WeakPolarHBondContact CA-OE2 3.37Å
301	G	82	Confident	87.6	Confident	18 Å²	18	46.4 Å²	46.4	19%	0.186	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	86.7	1.3	-176.2	0	0	0	0	0	114.7	H102 P299 K303 E347	H102-G301 PolarHBondContact CD2-O 3.27Å; P299-G301 PolarHBondContact O-N 3.5Å; G301-K303 PolarHBondContact O-N 3.06Å; G301-E347 WeakPolarHBondContact CA-OE1 3.31Å; G301-E347 PolarHBondContact N-OE1 3.46Å; G301-E347 PolarHBondContact N-OE2 3.41Å; G301-E347 VanDerWaalsContact N-OE2 3.08Å
302	S	83.3	Confident	86.9	Confident	18 Å²	18	50.5 Å²	50.5	13%	0.126	28%	0.283	C	S	.	.			trans	-62.4	125.5	-176.9	-68.7	0	0	0	0	112.4	P299 G348	P299-S302 VanDerWaalsContact O-CB 3.27Å; P299-S302 WeakPolarHBondContact O-CB 3.38Å; P299-S302 PolarHBondContact O-N 3.11Å; P299-S302 PolarHBondContact O-OG 3.2Å; S302-G348 WeakPolarHBondContact O-CA 3.39Å
303	K	83.3	Confident	86	Confident	107 Å²	107	47.6 Å²	47.6	47%	0.465	27%	0.274	S	S	.	.	S	Bend	trans	-74.2	-28.3	173.3	-74.2	-177.2	162.2	-176.6	0	113.6	G101 G301 G348 S349	G101-K303 WeakPolarHBondContact O-CD 3.43Å; G101-K303 WeakPolarHBondContact O-CE 3.46Å; G301-K303 PolarHBondContact O-N 3.06Å; K303-G348 WeakPolarHBondContact O-CA 3.46Å; K303-S349 PolarHBondContact O-N 3.49Å; K303-S349 PolarHBondContact O-OG 2.74Å
304	V	87.8	Confident	85.1	Confident	70 Å²	70	47.6 Å²	47.6	42%	0.424	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	116.6	179.8	-176.5	0	0	0	0	106.2	A307	V304-A307 HydrophobicContact CG1-CB 4.35Å
305	F	91.8	Very high	84.3	Confident	24 Å²	24	48.2 Å²	48.2	11%	0.105	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	-49.5	175.1	176.3	-92.8	0	0	0	109.9	A298 V346 E347 S349 V350 M357 I358	A298-F305 HydrophobicContact CB-CD2 3.89Å; A298-F305 HydrophobicContact CB-CE2 4.42Å; F305-V346 HydrophobicContact CB-CG1 4.29Å; F305-V346 HydrophobicContact CD2-CB 4.36Å; F305-V346 HydrophobicContact CD2-CG1 4.04Å; F305-V346 HydrophobicContact CD2-CG2 4.48Å; F305-V346 HydrophobicContact CE2-CG2 4.25Å; F305-V346 HydrophobicContact CG-CG1 4.14Å; F305-V346 HydrophobicContact CZ-CG2 4.5Å; F305-E347 WeakPolarHBondContact CB-O 3.26Å; F305-S349 WeakPolarHBondContact CB-O 3.49Å; F305-S349 PolarHBondContact N-O 3.42Å; F305-V350 HydrophobicContact CB-CG2 3.82Å; F305-V350 HydrophobicContact CD1-CG1 4.43Å; F305-V350 HydrophobicContact CD1-CG2 3.98Å; F305-V350 HydrophobicContact CG-CG2 4.04Å; F305-M357 HydrophobicContact CE1-CE 4.19Å; F305-I358 HydrophobicContact CE1-CG2 3.64Å; F305-I358 HydrophobicContact CZ-CG2 3.94Å
306	S	90.4	Very high	83.1	Confident	41 Å²	41	51 Å²	51	29%	0.287	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.6	138.9	168.4	169.7	0	0	0	0	109.7	G308 W351 A354	S306-G308 PolarHBondContact O-N 3.25Å; S306-G308 PolarHBondContact OG-N 3.15Å; S306-W351 PolarHBondContact O-N 2.81Å; S306-A354 WeakPolarHBondContact OG-CB 3.24Å
307	A	87.4	Confident	82	Confident	80 Å²	80	51.3 Å²	51.3	66%	0.661	31%	0.308	S	S	*	.			trans	-78.5	-2	179.1	0	0	0	0	0	113.5	V304	V304-A307 HydrophobicContact CG1-CB 4.35Å
308	G	84.5	Confident	81.2	Confident	10 Å²	10	49.8 Å²	49.8	10%	0.103	32%	0.319	C	S	.	.			trans	93.2	-141.2	176.9	0	0	0	0	0	113.1	R276 S306 W351	R276-G308 PolarHBondContact NH2-O 2.82Å; S306-G308 PolarHBondContact O-N 3.25Å; S306-G308 PolarHBondContact OG-N 3.15Å; G308-W351 WeakPolarHBondContact CA-O 3.37Å
309	H	78	Confident	80.9	Confident	36 Å²	36	58 Å²	58	17%	0.167	35%	0.348	C	S	.	.	S	Bend	trans	-72.6	136	-178.5	-151.4	-70.3	0	0	0	110.6	R276 I311 D326	R276-H309 PolarHBondContact NH1-NE2 2.69Å; H309-I311 PolarHBondContact O-N 2.87Å; H309-D326 IonicContact NE2-OD2 2.85Å; H309-D326 PolarHBondContact NE2-OD2 3.28Å
310	D	79.1	Confident	81	Confident	34 Å²	34	54.8 Å²	54.8	18%	0.182	33%	0.325	C	S	.	.			trans	-65.3	120	165.2	-171.1	-9.2	0	0	0	108.8	D272 H312 E313	D272-D310 HydrophobicContact CB-CB 4.21Å; D310-H312 VanDerWaalsContact C-N 3.26Å; D310-H312 WeakPolarHBondContact OD1-CB 3.33Å; D310-H312 IonicContact OD1-CD2 3.55Å; D310-H312 PolarHBondContact OD1-CD2 2.84Å; D310-H312 IonicContact OD1-CG 3.23Å; D310-H312 PolarHBondContact OD1-N 3.17Å; D310-E313 HydrophobicContact CB-CB 4.39Å; D310-E313 HydrophobicContact CB-CG 4.09Å; D310-E313 PolarHBondContact O-N 3.41Å
311	I	77.6	Confident	81.1	Confident	22 Å²	22	50.9 Å²	50.9	11%	0.113	30%	0.298	C	S	.	.	G	3₁₀ helix	trans	-74.1	-24.3	-177.3	-71.5	157.2	0	0	0	110.7	H309 E313 L314 L379 M490 F493 L494	H309-I311 PolarHBondContact O-N 2.87Å; I311-E313 PolarHBondContact O-N 3.27Å; I311-L314 HydrophobicContact CB-CD1 4.45Å; I311-L314 HydrophobicContact CG1-CD1 4.18Å; I311-L314 PolarHBondContact O-N 3.42Å; I311-L379 HydrophobicContact CD1-CD1 3.73Å; I311-L379 HydrophobicContact CD1-CD2 4.32Å; I311-L379 HydrophobicContact CG1-CD1 3.97Å; I311-M490 HydrophobicContact CG1-CE 4.43Å; I311-M490 HydrophobicContact CG2-CE 3.63Å; I311-M490 HydrophobicContact CG2-SD 3.86Å; I311-F493 HydrophobicContact CB-CD1 4.27Å; I311-F493 HydrophobicContact CB-CE1 4.39Å; I311-F493 HydrophobicContact CD1-CD1 3.35Å; I311-F493 HydrophobicContact CD1-CD2 3.72Å; I311-F493 HydrophobicContact CD1-CE1 3.21Å; I311-F493 HydrophobicContact CD1-CE2 3.56Å; I311-F493 HydrophobicContact CD1-CG 3.62Å; I311-F493 HydrophobicContact CD1-CZ 3.31Å; I311-F493 HydrophobicContact CG1-CD1 4.39Å; I311-F493 HydrophobicContact CG1-CE1 4.36Å; I311-F493 HydrophobicContact CG2-CD1 4.06Å; I311-L494 HydrophobicContact CG2-CD2 4.47Å
312	H	74.2	Confident	81.4	Confident	126 Å²	126	50.3 Å²	50.3	58%	0.583	29%	0.291	S	S	*	.	G	3₁₀ helix	trans	-68.2	-24.5	173.8	-60.8	-73.2	0	0	0	112.6	D310 L494	D310-H312 VanDerWaalsContact C-N 3.26Å; D310-H312 WeakPolarHBondContact OD1-CB 3.33Å; D310-H312 IonicContact OD1-CD2 3.55Å; D310-H312 PolarHBondContact OD1-CD2 2.84Å; D310-H312 IonicContact OD1-CG 3.23Å; D310-H312 PolarHBondContact OD1-N 3.17Å; H312-L494 WeakPolarHBondContact CE1-CD2 3.39Å
313	E	74.4	Confident	81.6	Confident	41 Å²	41	51.9 Å²	51.9	19%	0.192	30%	0.302	C	S	.	.	G	3₁₀ helix	trans	-86.9	-9.2	176.9	-65.2	-153.2	122.2	0	0	113.7	R273 D310 I311	R273-E313 WeakPolarHBondContact CB-OE1 3.49Å; R273-E313 IonicContact CZ-OE1 3.26Å; R273-E313 VanDerWaalsContact CZ-OE1 3.29Å; R273-E313 IonicContact NE-OE1 2.62Å; R273-E313 PolarHBondContact NE-OE1 3.03Å; R273-E313 IonicContact NH2-OE1 3.2Å; R273-E313 PolarHBondContact NH2-OE1 3.34Å; D310-E313 HydrophobicContact CB-CB 4.39Å; D310-E313 HydrophobicContact CB-CG 4.09Å; D310-E313 PolarHBondContact O-N 3.41Å; I311-E313 PolarHBondContact O-N 3.27Å
314	L	77	Confident	81.6	Confident	20 Å²	20	54.2 Å²	54.2	11%	0.105	31%	0.309	C	S	.	.	S	Bend	trans	-69.1	130.8	177.8	-72.3	171.1	0	0	0	110	I311 S316 P321 V381 M490	I311-L314 HydrophobicContact CB-CD1 4.45Å; I311-L314 HydrophobicContact CG1-CD1 4.18Å; I311-L314 PolarHBondContact O-N 3.42Å; L314-S316 PolarHBondContact O-N 3.45Å; L314-P321 HydrophobicContact CD2-CB 3.77Å; L314-V381 HydrophobicContact CD1-CG2 4.47Å; L314-M490 HydrophobicContact CB-SD 3.93Å; L314-M490 HydrophobicContact CD1-CE 3.75Å; L314-M490 HydrophobicContact CD1-SD 3.55Å; L314-M490 VanDerWaalsContact CD1-SD 3.55Å; L314-M490 HydrophobicContact CG-SD 4.4Å
315	P	78.7	Confident	81.3	Confident	22 Å²	22	56.1 Å²	56.1	14%	0.143	32%	0.316	C	S	.	.			trans	-65.6	132.8	-179	25.1	-33	0	0	0	111.7	G317 R319 P321 Y486	P315-G317 PolarHBondContact O-N 3.26Å; P315-G317 VanDerWaalsContact O-N 3.09Å; P315-R319 HydrophobicContact CB-CB 3.89Å; P315-R319 HydrophobicContact CG-CB 4.23Å; P315-R319 WeakPolarHBondContact CG-O 3.44Å; P315-P321 HydrophobicContact CG-CB 3.97Å; P315-Y486 PolarHBondContact O-OH 2.88Å
316	S	71.4	Confident	81	Confident	106 Å²	106	55.6 Å²	55.6	74%	0.741	32%	0.315	S	S	*	.			trans	-76.6	92.5	173.3	59.1	0	0	0	0	111.1	L314	L314-S316 PolarHBondContact O-N 3.45Å
317	G	70.4	Confident	80.5	Confident	25 Å²	25	55 Å²	55	26%	0.258	31%	0.31	S	S	.	.	S	Bend	trans	63.6	152.7	172.1	0	0	0	0	0	115.5	P315 R319	P315-G317 PolarHBondContact O-N 3.26Å; P315-G317 VanDerWaalsContact O-N 3.09Å; G317-R319 PolarHBondContact O-N 2.98Å
318	G	75.9	Confident	80.5	Confident	53 Å²	53	51.6 Å²	51.6	55%	0.546	28%	0.281	S	S	.	.	S	Bend	trans	68.4	-2.1	172.7	0	0	0	0	0	116.8	D482	G318-D482 VanDerWaalsContact CA-OD1 3.31Å; G318-D482 WeakPolarHBondContact CA-OD1 3.35Å; G318-D482 PolarHBondContact N-OD1 3.07Å
319	R	83.3	Confident	80.7	Confident	182 Å²	182	51.2 Å²	51.2	69%	0.687	28%	0.276	S	S	*	.	S	Bend	trans	-131.4	140.9	170.3	-71.1	-157.4	-66.3	170.6	-1.4	111	P315 G317 P321	P315-R319 HydrophobicContact CB-CB 3.89Å; P315-R319 HydrophobicContact CG-CB 4.23Å; P315-R319 WeakPolarHBondContact CG-O 3.44Å; G317-R319 PolarHBondContact O-N 2.98Å; R319-P321 WeakPolarHBondContact O-CD 3.13Å
320	D	87.5	Confident	81.2	Confident	31 Å²	31	53.1 Å²	53.1	17%	0.166	29%	0.285	C	S	.	.			trans	-65.4	117.9	178.1	-171.8	-24.8	0	0	0	110.9	L322 Q474 R477 Y481	D320-L322 PolarHBondContact O-N 3.21Å; D320-L322 PolarHBondContact OD1-N 3.28Å; D320-Q474 PolarHBondContact OD2-NE2 3.4Å; D320-R477 IonicContact OD1-CZ 3.21Å; D320-R477 IonicContact OD1-NH1 3.29Å; D320-R477 PolarHBondContact OD1-NH1 2.77Å; D320-R477 IonicContact OD1-NH2 3.61Å; D320-R477 PolarHBondContact OD1-NH2 2.92Å; D320-R477 IonicContact OD2-CZ 2.77Å; D320-R477 IonicContact OD2-NH1 3.93Å; D320-R477 PolarHBondContact OD2-NH1 3.41Å; D320-R477 IonicContact OD2-NH2 2.92Å; D320-Y481 HydrophobicContact CB-CE1 4.07Å
321	P	84.8	Confident	81.7	Confident	3 Å²	3	51.9 Å²	51.9	2%	0.019	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-15.3	-178	28	-35	0	0	0	114	L314 P315 R319	L314-P321 HydrophobicContact CD2-CB 3.77Å; P315-P321 HydrophobicContact CG-CB 3.97Å; R319-P321 WeakPolarHBondContact O-CD 3.13Å
322	L	88.1	Confident	82.4	Confident	6 Å²	6	50.8 Å²	50.8	3%	0.031	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-129	47.8	-177.6	-66.1	167.9	0	0	0	110.3	D320 V381 Y383 N384	D320-L322 PolarHBondContact O-N 3.21Å; D320-L322 PolarHBondContact OD1-N 3.28Å; L322-V381 HydrophobicContact CD1-CG1 4.36Å; L322-Y383 HydrophobicContact CD1-CD2 3.68Å; L322-Y383 HydrophobicContact CD1-CE2 3.98Å; L322-Y383 HydrophobicContact CD1-CG 4.01Å; L322-N384 HydrophobicContact CB-CB 4.1Å; L322-N384 PolarHBondContact O-ND2 3.39Å
323	S	87.7	Confident	83.2	Confident	51 Å²	51	46.8 Å²	46.8	36%	0.357	25%	0.252	S	S	.	.			trans	-59.4	167.7	175.4	76.9	0	0	0	0	112.2	D325 D326 R329	S323-D325 PolarHBondContact O-N 3.21Å; S323-D326 WeakPolarHBondContact O-CB 3.43Å; S323-D326 PolarHBondContact O-N 2.97Å; S323-D326 VanDerWaalsContact O-N 3.09Å; S323-D326 PolarHBondContact OG-N 2.96Å; S323-R329 WeakPolarHBondContact O-CG 3.48Å
324	Y	84.5	Confident	84	Confident	156 Å²	156	47 Å²	47	61%	0.612	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-37.7	-178.3	-170.6	-97	0	0	0	112.8	D326 R329 R333	Y324-D326 VanDerWaalsContact C-N 3.34Å; Y324-R329 WeakPolarHBondContact O-CB 3.5Å; Y324-R333 VanDerWaalsContact CZ-CZ 3.47Å; Y324-R333 VanDerWaalsContact O-CZ 3.22Å; Y324-R333 PolarHBondContact O-NH1 3.02Å; Y324-R333 PolarHBondContact O-NH2 2.84Å
325	D	81.8	Confident	84.9	Confident	109 Å²	109	46 Å²	46	58%	0.583	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.8	10	-178.9	-60.3	-44.8	0	0	0	113.1	S323 Q330	S323-D325 PolarHBondContact O-N 3.21Å; D325-Q330 PolarHBondContact O-NE2 3.17Å
326	D	83.6	Confident	85.7	Confident	14 Å²	14	45.4 Å²	45.4	8%	0.075	24%	0.244	C	C	.	.			trans	-56.4	136.7	168.7	170.2	-97.2	0	0	0	110.4	H309 S323 Y324 L328 R329 Q330	H309-D326 IonicContact NE2-OD2 2.85Å; H309-D326 PolarHBondContact NE2-OD2 3.28Å; S323-D326 WeakPolarHBondContact O-CB 3.43Å; S323-D326 PolarHBondContact O-N 2.97Å; S323-D326 VanDerWaalsContact O-N 3.09Å; S323-D326 PolarHBondContact OG-N 2.96Å; Y324-D326 VanDerWaalsContact C-N 3.34Å; D326-L328 VanDerWaalsContact C-N 3.25Å; D326-L328 PolarHBondContact O-N 3.29Å; D326-L328 WeakPolarHBondContact OD1-CA 3.37Å; D326-L328 VanDerWaalsContact OD1-CB 3.27Å; D326-L328 WeakPolarHBondContact OD1-CB 3.44Å; D326-L328 PolarHBondContact OD1-N 3.4Å; D326-R329 HydrophobicContact CB-CB 4.35Å; D326-R329 HydrophobicContact CB-CG 4Å; D326-R329 WeakPolarHBondContact O-CA 3.28Å; D326-R329 WeakPolarHBondContact O-CB 3.35Å; D326-R329 PolarHBondContact O-N 3.43Å; D326-R329 PolarHBondContact OD1-N 2.82Å; D326-Q330 PolarHBondContact O-N 3.28Å
327	P	81.9	Confident	86.8	Confident	28 Å²	28	45.7 Å²	45.7	18%	0.182	23%	0.232	C	C	.	.	H	α-helix	trans	-54.6	-37.8	-175.8	-29.9	36.7	0	0	0	114.1	R276 R329 Q330 I331	R276-P327 HydrophobicContact CB-CB 4.36Å; P327-R329 VanDerWaalsContact C-N 3.33Å; P327-Q330 PolarHBondContact O-N 3.34Å; P327-I331 WeakPolarHBondContact O-CG2 3.46Å; P327-I331 PolarHBondContact O-N 3.17Å
328	L	87	Confident	87.9	Confident	9 Å²	9	44.9 Å²	44.9	5%	0.047	22%	0.221	C	C	.	.	H	α-helix	trans	-69.1	-34.4	178	178.9	61.2	0	0	0	111.2	D326 I331 T332 G353 M357	D326-L328 VanDerWaalsContact C-N 3.25Å; D326-L328 PolarHBondContact O-N 3.29Å; D326-L328 WeakPolarHBondContact OD1-CA 3.37Å; D326-L328 VanDerWaalsContact OD1-CB 3.27Å; D326-L328 WeakPolarHBondContact OD1-CB 3.44Å; D326-L328 PolarHBondContact OD1-N 3.4Å; L328-I331 HydrophobicContact CD1-CG2 4.16Å; L328-I331 WeakPolarHBondContact O-CG2 3.28Å; L328-T332 HydrophobicContact CD1-CG2 4.13Å; L328-T332 VanDerWaalsContact O-CG2 3.3Å; L328-T332 WeakPolarHBondContact O-CG2 3.4Å; L328-T332 PolarHBondContact O-N 3.2Å; L328-T332 PolarHBondContact O-OG1 3.48Å; L328-G353 WeakPolarHBondContact CD1-O 3.31Å; L328-G353 VanDerWaalsContact CD2-CA 3.41Å; L328-M357 HydrophobicContact CD1-CB 4.14Å
329	R	87.9	Confident	88.8	Confident	2 Å²	2	44.8 Å²	44.8	1%	0.008	21%	0.211	C	C	.	.	H	α-helix	trans	-68.3	-37.6	172.6	-62.7	-48.9	90.6	154.5	5.2	112.5	S323 Y324 D326 P327 T332 R333 E356 N384	S323-R329 WeakPolarHBondContact O-CG 3.48Å; Y324-R329 WeakPolarHBondContact O-CB 3.5Å; D326-R329 HydrophobicContact CB-CB 4.35Å; D326-R329 HydrophobicContact CB-CG 4Å; D326-R329 WeakPolarHBondContact O-CA 3.28Å; D326-R329 WeakPolarHBondContact O-CB 3.35Å; D326-R329 PolarHBondContact O-N 3.43Å; D326-R329 PolarHBondContact OD1-N 2.82Å; P327-R329 VanDerWaalsContact C-N 3.33Å; R329-T332 PolarHBondContact O-OG1 3.39Å; R329-R333 WeakPolarHBondContact O-CB 3.42Å; R329-R333 WeakPolarHBondContact O-CG 3.48Å; R329-R333 PolarHBondContact O-N 3.42Å; R329-R333 PolarHBondContact O-NH1 3.3Å; R329-E356 IonicContact CZ-OE1 3.02Å; R329-E356 IonicContact CZ-OE2 2.79Å; R329-E356 VanDerWaalsContact CZ-OE2 3.26Å; R329-E356 IonicContact NH1-OE1 3.97Å; R329-E356 PolarHBondContact NH1-OE1 3.35Å; R329-E356 IonicContact NH1-OE2 3.12Å; R329-E356 PolarHBondContact NH1-OE2 3.21Å; R329-E356 VanDerWaalsContact NH1-OE2 3.12Å; R329-E356 IonicContact NH2-OE1 3.23Å; R329-E356 PolarHBondContact NH2-OE1 2.75Å; R329-E356 IonicContact NH2-OE2 2.64Å; R329-E356 PolarHBondContact NH2-OE2 2.96Å; R329-N384 WeakPolarHBondContact CD-ND2 3.36Å; R329-N384 PolarHBondContact NH1-OD1 3.33Å
330	Q	88.6	Confident	89.4	Confident	76 Å²	76	37.1 Å²	37.1	36%	0.355	18%	0.183	S	C	.	.	H	α-helix	trans	-65.2	-48.8	178	-67	-171.5	50.7	0	0	111.6	L280 D325 D326 P327 R333 M334	L280-Q330 HydrophobicContact CD1-CB 4.32Å; D325-Q330 PolarHBondContact O-NE2 3.17Å; D326-Q330 PolarHBondContact O-N 3.28Å; P327-Q330 PolarHBondContact O-N 3.34Å; Q330-R333 PolarHBondContact O-N 3.08Å; Q330-M334 WeakPolarHBondContact O-CB 3.45Å; Q330-M334 PolarHBondContact O-N 2.82Å
331	I	89.2	Confident	89.9	Confident	7 Å²	7	36.2 Å²	36.2	4%	0.036	18%	0.179	C	C	.	.	H	α-helix	trans	-66.9	-41.3	-177.6	-169.3	62.6	0	0	0	112.4	L279 L280 L283 P327 L328 R333 M334 I335 M357	L279-I331 HydrophobicContact CD2-CD1 3.8Å; L279-I331 HydrophobicContact CD2-CG1 4.05Å; L279-I331 HydrophobicContact CG-CD1 3.96Å; L280-I331 HydrophobicContact CD2-CB 4.23Å; L280-I331 HydrophobicContact CD2-CD1 3.59Å; L280-I331 HydrophobicContact CG-CD1 4.18Å; L283-I331 HydrophobicContact CD1-CD1 3.9Å; P327-I331 WeakPolarHBondContact O-CG2 3.46Å; P327-I331 PolarHBondContact O-N 3.17Å; L328-I331 HydrophobicContact CD1-CG2 4.16Å; L328-I331 WeakPolarHBondContact O-CG2 3.28Å; I331-R333 PolarHBondContact O-N 2.85Å; I331-M334 PolarHBondContact O-N 2.91Å; I331-M334 VanDerWaalsContact O-N 3.16Å; I331-I335 HydrophobicContact CD1-CD1 4.46Å; I331-I335 HydrophobicContact CD1-CG1 4.38Å; I331-I335 HydrophobicContact CG1-CD1 3.94Å; I331-I335 HydrophobicContact CG1-CG1 4.31Å; I331-I335 VanDerWaalsContact O-CG1 3.29Å; I331-I335 WeakPolarHBondContact O-CG1 3.37Å; I331-I335 PolarHBondContact O-N 3.19Å; I331-M357 HydrophobicContact CG1-SD 4.4Å; I331-M357 HydrophobicContact CG2-CG 4.38Å; I331-M357 HydrophobicContact CG2-SD 4.47Å
332	T	92.5	Very high	90.6	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-64.6	-42	178.2	53.2	0	0	0	0	111.7	L328 R329 M334 I335 Q336 E356	L328-T332 HydrophobicContact CD1-CG2 4.13Å; L328-T332 VanDerWaalsContact O-CG2 3.3Å; L328-T332 WeakPolarHBondContact O-CG2 3.4Å; L328-T332 PolarHBondContact O-N 3.2Å; L328-T332 PolarHBondContact O-OG1 3.48Å; R329-T332 PolarHBondContact O-OG1 3.39Å; T332-M334 VanDerWaalsContact C-N 3.31Å; T332-M334 PolarHBondContact O-N 3.38Å; T332-I335 PolarHBondContact O-N 3.14Å; T332-Q336 WeakPolarHBondContact O-CB 3.25Å; T332-Q336 VanDerWaalsContact O-CG 3.22Å; T332-Q336 WeakPolarHBondContact O-CG 3.47Å; T332-Q336 PolarHBondContact O-N 2.85Å; T332-E356 HydrophobicContact CG2-CG 4.37Å
333	R	91.8	Very high	91.1	Very high	41 Å²	41	35.8 Å²	35.8	16%	0.155	18%	0.176	C	C	.	.	H	α-helix	trans	-61.1	-40.6	172.4	-75	-167.7	-56.1	-94.6	4	112.1	Y324 R329 Q330 I331 K337	Y324-R333 VanDerWaalsContact CZ-CZ 3.47Å; Y324-R333 VanDerWaalsContact O-CZ 3.22Å; Y324-R333 PolarHBondContact O-NH1 3.02Å; Y324-R333 PolarHBondContact O-NH2 2.84Å; R329-R333 WeakPolarHBondContact O-CB 3.42Å; R329-R333 WeakPolarHBondContact O-CG 3.48Å; R329-R333 PolarHBondContact O-N 3.42Å; R329-R333 PolarHBondContact O-NH1 3.3Å; Q330-R333 PolarHBondContact O-N 3.08Å; I331-R333 PolarHBondContact O-N 2.85Å; R333-K337 WeakPolarHBondContact O-CB 3.31Å; R333-K337 WeakPolarHBondContact O-CG 3.33Å; R333-K337 PolarHBondContact O-N 2.97Å
334	M	91.5	Very high	91.6	Very high	45 Å²	45	33.4 Å²	33.4	22%	0.222	16%	0.159	C	C	.	.	H	α-helix	trans	-64.5	-48.4	178.4	-172.5	178.8	-168.4	0	0	111	L280 L283 Q330 I331 T332 Q336 K337 F338	L280-M334 HydrophobicContact CB-SD 4.13Å; L280-M334 HydrophobicContact CD2-CB 3.92Å; L280-M334 HydrophobicContact CD2-CG 4.25Å; L280-M334 HydrophobicContact CD2-SD 3.31Å; L280-M334 WeakPolarHBondContact CD2-SD 3.39Å; L280-M334 HydrophobicContact CG-SD 4.32Å; L280-M334 WeakPolarHBondContact O-CE 3.07Å; L283-M334 HydrophobicContact CB-CE 3.39Å; L283-M334 HydrophobicContact CB-SD 3.85Å; L283-M334 HydrophobicContact CD1-CE 4.48Å; L283-M334 HydrophobicContact CD1-CG 4.34Å; L283-M334 HydrophobicContact CD1-SD 3.93Å; Q330-M334 WeakPolarHBondContact O-CB 3.45Å; Q330-M334 PolarHBondContact O-N 2.82Å; I331-M334 PolarHBondContact O-N 2.91Å; I331-M334 VanDerWaalsContact O-N 3.16Å; T332-M334 VanDerWaalsContact C-N 3.31Å; T332-M334 PolarHBondContact O-N 3.38Å; M334-Q336 VanDerWaalsContact C-N 3.33Å; M334-Q336 PolarHBondContact O-N 2.84Å; M334-K337 PolarHBondContact O-N 3.25Å; M334-F338 WeakPolarHBondContact O-CB 3.4Å; M334-F338 PolarHBondContact O-N 2.66Å
335	I	94.2	Very high	92.2	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-56.7	-48.4	178.6	-71.3	170.8	0	0	0	110.4	L283 L296 I331 T332 F338 I342 M357 S360 K453	L283-I335 HydrophobicContact CD1-CG1 4.41Å; L296-I335 HydrophobicContact CD1-CD1 4.06Å; I331-I335 HydrophobicContact CD1-CD1 4.46Å; I331-I335 HydrophobicContact CD1-CG1 4.38Å; I331-I335 HydrophobicContact CG1-CD1 3.94Å; I331-I335 HydrophobicContact CG1-CG1 4.31Å; I331-I335 VanDerWaalsContact O-CG1 3.29Å; I331-I335 WeakPolarHBondContact O-CG1 3.37Å; I331-I335 PolarHBondContact O-N 3.19Å; T332-I335 PolarHBondContact O-N 3.14Å; I335-F338 WeakPolarHBondContact O-CB 3.22Å; I335-F338 PolarHBondContact O-N 2.92Å; I335-I342 HydrophobicContact CB-CD1 4.09Å; I335-I342 HydrophobicContact CG1-CD1 4.14Å; I335-I342 HydrophobicContact CG2-CB 4.41Å; I335-I342 HydrophobicContact CG2-CD1 3.86Å; I335-I342 HydrophobicContact CG2-CG2 4.38Å; I335-M357 HydrophobicContact CD1-CG 3.82Å; I335-S360 VanDerWaalsContact CG2-O 3.28Å; I335-S360 WeakPolarHBondContact CG2-O 3.39Å; I335-K453 PolarHBondContact O-NZ 3.34Å
336	Q	95.3	Very high	93	Very high	9 Å²	9	21 Å²	21	4%	0.042	10%	0.104	C	C	.	.	H	α-helix	trans	-65.3	-41.4	-177.8	-72.4	172	-10.7	0	0	112.7	T332 M334 F338 S360 N390 K453 R457	T332-Q336 WeakPolarHBondContact O-CB 3.25Å; T332-Q336 VanDerWaalsContact O-CG 3.22Å; T332-Q336 WeakPolarHBondContact O-CG 3.47Å; T332-Q336 PolarHBondContact O-N 2.85Å; M334-Q336 VanDerWaalsContact C-N 3.33Å; M334-Q336 PolarHBondContact O-N 2.84Å; Q336-F338 VanDerWaalsContact C-N 3.3Å; Q336-S360 WeakPolarHBondContact CG-O 3.41Å; Q336-N390 PolarHBondContact NE2-OD1 2.78Å; Q336-K453 VanDerWaalsContact O-CE 3.29Å; Q336-K453 WeakPolarHBondContact O-CE 3.4Å; Q336-R457 HydrophobicContact CB-CG 4.2Å; Q336-R457 WeakPolarHBondContact O-CD 3.28Å
337	K	94.9	Very high	93.7	Very high	112 Å²	112	21.4 Å²	21.4	49%	0.487	11%	0.105	S	C	.	.	H	α-helix	trans	-84.1	-3.4	179.4	-67	-178.9	178.2	-174.1	0	113.6	R333 M334	R333-K337 WeakPolarHBondContact O-CB 3.31Å; R333-K337 WeakPolarHBondContact O-CG 3.33Å; R333-K337 PolarHBondContact O-N 2.97Å; M334-K337 PolarHBondContact O-N 3.25Å
338	F	95	Very high	94.3	Very high	8 Å²	8	20.6 Å²	20.6	4%	0.035	10%	0.101	C	C	.	.			trans	-68.2	129.1	-177.1	-158.8	-110.7	0	0	0	110.2	L283 N287 I294 M334 I335 Q336 K340 I342 K453	L283-F338 HydrophobicContact CB-CE2 4.25Å; L283-F338 WeakPolarHBondContact O-CE2 3.35Å; L283-F338 VanDerWaalsContact O-CZ 3.29Å; L283-F338 WeakPolarHBondContact O-CZ 3.31Å; N287-F338 HydrophobicContact CB-CE2 3.87Å; N287-F338 HydrophobicContact CB-CZ 3.95Å; I294-F338 HydrophobicContact CD1-CE1 4.09Å; I294-F338 HydrophobicContact CG1-CD1 4.24Å; I294-F338 HydrophobicContact CG1-CE1 3.62Å; I294-F338 HydrophobicContact CG1-CZ 4.48Å; M334-F338 WeakPolarHBondContact O-CB 3.4Å; M334-F338 PolarHBondContact O-N 2.66Å; I335-F338 WeakPolarHBondContact O-CB 3.22Å; I335-F338 PolarHBondContact O-N 2.92Å; Q336-F338 VanDerWaalsContact C-N 3.3Å; F338-K340 HydrophobicContact CD1-CB 3.79Å; F338-K340 HydrophobicContact CD1-CG 4.19Å; F338-K340 HydrophobicContact CE1-CB 3.75Å; F338-K340 HydrophobicContact CE1-CD 3.78Å; F338-K340 HydrophobicContact CE1-CG 3.82Å; F338-K340 HydrophobicContact CZ-CD 4.37Å; F338-K340 PolarHBondContact O-N 3.45Å; F338-I342 HydrophobicContact CB-CD1 3.7Å; F338-I342 HydrophobicContact CB-CG1 4.48Å; F338-I342 HydrophobicContact CD1-CD1 3.87Å; F338-I342 HydrophobicContact CD1-CG1 4.05Å; F338-I342 HydrophobicContact CG-CD1 3.95Å; F338-K453 WeakPolarHBondContact O-CD 3.44Å; F338-K453 WeakPolarHBondContact O-CE 3.34Å; F338-K453 PolarHBondContact O-NZ 2.9Å
339	P	94.7	Very high	94.6	Very high	52 Å²	52	20.9 Å²	20.9	34%	0.338	10%	0.104	S	C	.	.	S	Bend	trans	-75.9	10.8	-171.3	32.2	-37.6	0	0	0	113.9	N287 A450	N287-P339 WeakPolarHBondContact OD1-CG 3.29Å; P339-A450 HydrophobicContact CB-CB 4.27Å; P339-A450 WeakPolarHBondContact O-CB 3.04Å
340	K	95	Very high	95	Very high	21 Å²	21	20.8 Å²	20.8	9%	0.091	10%	0.104	C	C	.	.	S	Bend	trans	-128.4	151.7	179.6	-49	-179.6	-169.5	-65.7	0	109	R288 I291 F338 K453	R288-K340 VanDerWaalsContact O-CE 3.31Å; R288-K340 WeakPolarHBondContact O-CE 3.32Å; R288-K340 PolarHBondContact O-NZ 3.42Å; I291-K340 HydrophobicContact CB-CD 4.35Å; I291-K340 HydrophobicContact CG2-CD 4.07Å; I291-K340 VanDerWaalsContact O-CD 3.3Å; I291-K340 WeakPolarHBondContact O-CD 3.19Å; I291-K340 WeakPolarHBondContact O-CE 3.3Å; I291-K340 PolarHBondContact O-NZ 3.39Å; F338-K340 HydrophobicContact CD1-CB 3.79Å; F338-K340 HydrophobicContact CD1-CG 4.19Å; F338-K340 HydrophobicContact CE1-CB 3.75Å; F338-K340 HydrophobicContact CE1-CD 3.78Å; F338-K340 HydrophobicContact CE1-CG 3.82Å; F338-K340 HydrophobicContact CZ-CD 4.37Å; F338-K340 PolarHBondContact O-N 3.45Å; K340-K453 PolarHBondContact O-NZ 3.47Å
341	P	98.4	Very high	95.2	Very high	12 Å²	12	21.3 Å²	21.3	8%	0.078	10%	0.103	C	C	.	.			trans	-59.3	137.3	170.5	-23.9	36.7	0	0	0	111	R292 I294 D362 I441 I449	R292-P341 WeakPolarHBondContact O-CD 3.33Å; I294-P341 PolarHBondContact N-O 3.4Å; P341-D362 VanDerWaalsContact CA-OD2 3.29Å; P341-D362 WeakPolarHBondContact CA-OD2 3.27Å; P341-I441 HydrophobicContact CB-CG2 4.34Å; P341-I441 HydrophobicContact CG-CG2 3.82Å; P341-I449 HydrophobicContact CG-CG2 3.48Å; P341-I449 VanDerWaalsContact CG-CG2 3.48Å
342	I	98.3	Very high	95.4	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	118.4	173.7	-60.3	179.7	0	0	0	107.3	L283 I294 L296 I335 F338 D362 L363	L283-I342 HydrophobicContact CD2-CD1 4.34Å; I294-I342 HydrophobicContact CB-CG1 4.08Å; I294-I342 HydrophobicContact CG1-CG1 4.32Å; I294-I342 WeakPolarHBondContact O-CA 3.43Å; L296-I342 HydrophobicContact CD1-CG2 3.74Å; L296-I342 HydrophobicContact CG-CG2 3.78Å; I335-I342 HydrophobicContact CB-CD1 4.09Å; I335-I342 HydrophobicContact CG1-CD1 4.14Å; I335-I342 HydrophobicContact CG2-CB 4.41Å; I335-I342 HydrophobicContact CG2-CD1 3.86Å; I335-I342 HydrophobicContact CG2-CG2 4.38Å; F338-I342 HydrophobicContact CB-CD1 3.7Å; F338-I342 HydrophobicContact CB-CG1 4.48Å; F338-I342 HydrophobicContact CD1-CD1 3.87Å; F338-I342 HydrophobicContact CD1-CG1 4.05Å; F338-I342 HydrophobicContact CG-CD1 3.95Å; I342-D362 PolarHBondContact N-OD2 2.93Å; I342-D362 PolarHBondContact O-N 2.91Å; I342-L363 PolarHBondContact O-N 3.48Å
343	I	98.5	Very high	95.3	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	126.1	177.2	-52	-179.5	0	0	0	108.7	I294 I295 L296 L363 I365 T434 A438 I441	I294-I343 PolarHBondContact O-N 3.3Å; I295-I343 CarbonylContact C-O 3.58Å; I295-I343 WeakPolarHBondContact CA-O 3.4Å; I295-I343 HydrophobicContact CG1-CB 4.34Å; L296-I343 PolarHBondContact N-O 3.3Å; I343-L363 CarbonylContact C-O 3.59Å; I343-L363 WeakPolarHBondContact CA-O 3.5Å; I343-L363 HydrophobicContact CG1-CB 4.25Å; I343-L363 HydrophobicContact CG1-CD1 4.49Å; I343-L363 HydrophobicContact CG2-CB 4.23Å; I343-I365 HydrophobicContact CG2-CD1 3.99Å; I343-I365 HydrophobicContact CG2-CG1 4.15Å; I343-T434 HydrophobicContact CG2-CG2 3.86Å; I343-A438 HydrophobicContact CD1-CB 4.09Å; I343-I441 HydrophobicContact CD1-CD1 4.22Å
344	S	98.6	Very high	95.4	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	113	168.4	-64.2	0	0	0	0	109.8	S361 L363 I364 I365	S344-S361 WeakPolarHBondContact OG-CB 3.41Å; S344-S361 PolarHBondContact OG-OG 2.88Å; S344-L363 PolarHBondContact N-O 3.07Å; S344-I364 WeakPolarHBondContact O-CA 3.22Å; S344-I365 PolarHBondContact O-N 3.03Å
345	M	98.5	Very high	95.7	Very high	6 Å²	6	17.8 Å²	17.8	3%	0.03	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	100.5	176.1	-170.3	175.7	83.8	0	0	109.6	I295 L296 R297 I365 L430 E431 T434	I295-M345 HydrophobicContact CG2-CB 3.74Å; I295-M345 HydrophobicContact CG2-SD 4.41Å; L296-M345 PolarHBondContact O-N 2.91Å; R297-M345 HydrophobicContact CB-CB 4.25Å; R297-M345 HydrophobicContact CB-CE 3.82Å; R297-M345 HydrophobicContact CG-CE 4.32Å; M345-I365 CarbonylContact C-O 3.58Å; M345-I365 WeakPolarHBondContact CA-O 3.35Å; M345-L430 HydrophobicContact CG-CD1 3.77Å; M345-L430 HydrophobicContact CG-CD2 3.97Å; M345-L430 HydrophobicContact CG-CG 3.62Å; M345-L430 HydrophobicContact SD-CG 4.11Å; M345-E431 HydrophobicContact CE-CB 4.39Å; M345-T434 HydrophobicContact CB-CG2 3.97Å; M345-T434 HydrophobicContact CG-CG2 3.99Å; M345-T434 WeakPolarHBondContact CG-OG1 3.33Å; M345-T434 WeakPolarHBondContact SD-CB 3.5Å; M345-T434 HydrophobicContact SD-CG2 3.7Å; M345-T434 PolarHBondContact SD-OG1 3.47Å; M345-T434 VanDerWaalsContact SD-OG1 3.38Å
346	V	98.3	Very high	95.7	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	111.4	-163.6	-176.2	0	0	0	0	111.8	F305 V350 I358 I364 I365 A366 A367 S370 F372	F305-V346 HydrophobicContact CB-CG1 4.29Å; F305-V346 HydrophobicContact CD2-CB 4.36Å; F305-V346 HydrophobicContact CD2-CG1 4.04Å; F305-V346 HydrophobicContact CD2-CG2 4.48Å; F305-V346 HydrophobicContact CE2-CG2 4.25Å; F305-V346 HydrophobicContact CG-CG1 4.14Å; F305-V346 HydrophobicContact CZ-CG2 4.5Å; V346-V350 HydrophobicContact CG1-CG2 3.41Å; V346-V350 VanDerWaalsContact CG1-CG2 3.41Å; V346-I358 HydrophobicContact CG2-CD1 3.98Å; V346-I358 HydrophobicContact CG2-CG2 4.49Å; V346-I364 HydrophobicContact CG2-CG2 3.79Å; V346-I365 PolarHBondContact N-O 2.93Å; V346-A366 HydrophobicContact CB-CB 4.06Å; V346-A366 WeakPolarHBondContact O-CA 3.35Å; V346-A367 PolarHBondContact O-N 3.45Å; V346-S370 PolarHBondContact O-OG 2.89Å; V346-F372 HydrophobicContact CB-CE1 4.46Å; V346-F372 HydrophobicContact CG1-CE1 3.89Å; V346-F372 HydrophobicContact CG1-CZ 4.08Å; V346-F372 HydrophobicContact CG2-CE1 4.45Å
347	E	97.1	Very high	95.7	Very high	22 Å²	22	18.8 Å²	18.8	10%	0.103	10%	0.096	C	C	.	.			trans	-114.8	125.3	166.3	-168	-179.2	170.6	0	0	109.6	S300 G301 F305 V427 L430	S300-E347 WeakPolarHBondContact CA-OE2 3.37Å; G301-E347 WeakPolarHBondContact CA-OE1 3.31Å; G301-E347 PolarHBondContact N-OE1 3.46Å; G301-E347 PolarHBondContact N-OE2 3.41Å; G301-E347 VanDerWaalsContact N-OE2 3.08Å; F305-E347 WeakPolarHBondContact CB-O 3.26Å; E347-V427 HydrophobicContact CG-CG2 3.99Å; E347-V427 VanDerWaalsContact OE1-CG2 3.31Å; E347-V427 WeakPolarHBondContact OE1-CG2 3.13Å; E347-L430 HydrophobicContact CB-CD2 4.02Å
348	G	94.5	Very high	95.8	Very high	10 Å²	10	13.5 Å²	13.5	10%	0.103	7%	0.073	C	C	.	.	S	Bend	trans	97	-167.9	179.5	0	0	0	0	0	114.4	S302 K303 S370 T371	S302-G348 WeakPolarHBondContact O-CA 3.39Å; K303-G348 WeakPolarHBondContact O-CA 3.46Å; G348-S370 PolarHBondContact N-OG 2.83Å; G348-S370 WeakPolarHBondContact O-CA 3.49Å; G348-S370 VanDerWaalsContact O-CB 3.28Å; G348-S370 WeakPolarHBondContact O-CB 3.3Å; G348-S370 PolarHBondContact O-OG 3.24Å; G348-T371 PolarHBondContact O-N 2.91Å
349	S	94.9	Very high	95.9	Very high	15 Å²	15	13.5 Å²	13.5	11%	0.105	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	139.4	-178.4	56.8	0	0	0	0	113.1	K303 F305 W351 T371	K303-S349 PolarHBondContact O-N 3.49Å; K303-S349 PolarHBondContact O-OG 2.74Å; F305-S349 WeakPolarHBondContact CB-O 3.49Å; F305-S349 PolarHBondContact N-O 3.42Å; S349-W351 VanDerWaalsContact CB-NE1 3.29Å; S349-W351 PolarHBondContact OG-NE1 3.04Å; S349-T371 CarbonylContact C-O 3.56Å; S349-T371 WeakPolarHBondContact CA-O 3.15Å; S349-T371 WeakPolarHBondContact CB-OG1 3.31Å
350	V	96.1	Very high	96	Very high	1 Å²	1	11.3 Å²	11.3	1%	0.006	6%	0.059	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	127.4	-178.2	-173.2	0	0	0	0	109.9	F305 V346 A354 F355 I358 T371 F372 S373	F305-V350 HydrophobicContact CB-CG2 3.82Å; F305-V350 HydrophobicContact CD1-CG1 4.43Å; F305-V350 HydrophobicContact CD1-CG2 3.98Å; F305-V350 HydrophobicContact CG-CG2 4.04Å; V346-V350 HydrophobicContact CG1-CG2 3.41Å; V346-V350 VanDerWaalsContact CG1-CG2 3.41Å; V350-A354 HydrophobicContact CG1-CB 3.79Å; V350-F355 HydrophobicContact CG1-CB 4Å; V350-F355 HydrophobicContact CG1-CD2 4.45Å; V350-I358 HydrophobicContact CG1-CD1 3.96Å; V350-I358 HydrophobicContact CG1-CG1 4.46Å; V350-I358 HydrophobicContact CG2-CD1 4.17Å; V350-T371 PolarHBondContact N-O 2.73Å; V350-F372 HydrophobicContact CB-CD1 3.92Å; V350-F372 HydrophobicContact CB-CE1 4.46Å; V350-F372 HydrophobicContact CG2-CD1 3.82Å; V350-F372 HydrophobicContact CG2-CE1 3.85Å; V350-S373 PolarHBondContact O-N 2.68Å
351	W	92.3	Very high	96.1	Very high	86 Å²	86	11 Å²	11	33%	0.326	6%	0.06	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	132.9	-171.1	-58.8	88.7	0	0	0	113.4	S306 G308 S349 G353 A354 S373 T375	S306-W351 PolarHBondContact O-N 2.81Å; G308-W351 WeakPolarHBondContact CA-O 3.37Å; S349-W351 VanDerWaalsContact CB-NE1 3.29Å; S349-W351 PolarHBondContact OG-NE1 3.04Å; W351-G353 PolarHBondContact O-N 3.46Å; W351-G353 VanDerWaalsContact O-N 3.17Å; W351-A354 WeakPolarHBondContact O-CB 3.37Å; W351-A354 PolarHBondContact O-N 3.47Å; W351-S373 CarbonylContact C-O 3.59Å; W351-T375 HydrophobicContact CE3-CG2 3.89Å; W351-T375 HydrophobicContact CZ3-CG2 4.37Å
352	G	92.6	Very high	96.1	Very high	6 Å²	6	13.1 Å²	13.1	6%	0.062	7%	0.071	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.6	-117	167	0	0	0	0	0	113.3	A354 F355 E356 S373 T375	G352-A354 PolarHBondContact O-N 3.49Å; G352-F355 WeakPolarHBondContact O-CA 3.38Å; G352-F355 VanDerWaalsContact O-CB 3.29Å; G352-F355 WeakPolarHBondContact O-CB 3.48Å; G352-F355 PolarHBondContact O-N 3.23Å; G352-E356 PolarHBondContact O-N 2.94Å; G352-S373 PolarHBondContact N-O 3.4Å; G352-T375 WeakPolarHBondContact CA-OG1 3.29Å
353	G	91.9	Very high	96.1	Very high	7 Å²	7	14.8 Å²	14.8	7%	0.072	8%	0.079	C	C	.	.	H	α-helix	trans	-57.7	-29.9	-179.8	0	0	0	0	0	114.7	L328 W351 F355 E356 M357	L328-G353 WeakPolarHBondContact CD1-O 3.31Å; L328-G353 VanDerWaalsContact CD2-CA 3.41Å; W351-G353 PolarHBondContact O-N 3.46Å; W351-G353 VanDerWaalsContact O-N 3.17Å; G353-F355 VanDerWaalsContact C-N 3.28Å; G353-F355 PolarHBondContact O-N 2.94Å; G353-E356 PolarHBondContact O-N 3.36Å; G353-M357 PolarHBondContact O-N 2.73Å
354	A	93.9	Very high	96.1	Very high	3 Å²	3	15.1 Å²	15.1	3%	0.025	8%	0.081	C	C	.	.	H	α-helix	trans	-67	-32.7	175	0	0	0	0	0	112.1	S306 V350 W351 G352 M357 I358	S306-A354 WeakPolarHBondContact OG-CB 3.24Å; V350-A354 HydrophobicContact CG1-CB 3.79Å; W351-A354 WeakPolarHBondContact O-CB 3.37Å; W351-A354 PolarHBondContact O-N 3.47Å; G352-A354 PolarHBondContact O-N 3.49Å; A354-M357 WeakPolarHBondContact O-CB 3.29Å; A354-M357 PolarHBondContact O-N 3.47Å; A354-I358 PolarHBondContact O-N 2.86Å; A354-I358 VanDerWaalsContact O-N 3.08Å
355	F	96.2	Very high	96.1	Very high	4 Å²	4	15.1 Å²	15.1	2%	0.018	8%	0.081	C	C	.	.	H	α-helix	trans	-66.7	-45.9	175.6	-174.6	-120.6	0	0	0	110.3	V350 G352 G353 M357 I358 M359 F372 M374 L391 L403 I420	V350-F355 HydrophobicContact CG1-CB 4Å; V350-F355 HydrophobicContact CG1-CD2 4.45Å; G352-F355 WeakPolarHBondContact O-CA 3.38Å; G352-F355 VanDerWaalsContact O-CB 3.29Å; G352-F355 WeakPolarHBondContact O-CB 3.48Å; G352-F355 PolarHBondContact O-N 3.23Å; G353-F355 VanDerWaalsContact C-N 3.28Å; G353-F355 PolarHBondContact O-N 2.94Å; F355-M357 VanDerWaalsContact C-N 3.3Å; F355-M357 PolarHBondContact O-N 3.23Å; F355-I358 HydrophobicContact CD2-CD1 4.16Å; F355-I358 HydrophobicContact CD2-CG1 4.33Å; F355-I358 VanDerWaalsContact O-CG1 3.22Å; F355-I358 WeakPolarHBondContact O-CG1 3.38Å; F355-I358 PolarHBondContact O-N 3.4Å; F355-M359 HydrophobicContact CD1-CG 4.39Å; F355-M359 HydrophobicContact CD2-CG 4.31Å; F355-M359 HydrophobicContact CE1-CG 4.13Å; F355-M359 HydrophobicContact CE1-SD 4.48Å; F355-M359 HydrophobicContact CE2-CG 4.03Å; F355-M359 HydrophobicContact CE2-SD 4.05Å; F355-M359 HydrophobicContact CG-CG 4.47Å; F355-M359 HydrophobicContact CZ-CG 3.93Å; F355-M359 HydrophobicContact CZ-SD 3.83Å; F355-M359 WeakPolarHBondContact O-CB 3.44Å; F355-M359 WeakPolarHBondContact O-CG 3.19Å; F355-M359 PolarHBondContact O-N 2.66Å; F355-F372 HydrophobicContact CD2-CB 3.9Å; F355-F372 AromaticContact CD2-CD1 3.86Å; F355-F372 HydrophobicContact CD2-CD1 3.86Å; F355-F372 HydrophobicContact CD2-CG 4.32Å; F355-F372 HydrophobicContact CE2-CB 3.77Å; F355-F372 AromaticContact CE2-CD1 3.88Å; F355-F372 HydrophobicContact CE2-CD1 3.88Å; F355-F372 HydrophobicContact CE2-CG 4.12Å; F355-M374 HydrophobicContact CB-SD 4.43Å; F355-M374 HydrophobicContact CD1-CB 4.17Å; F355-M374 HydrophobicContact CD1-SD 4.09Å; F355-L391 HydrophobicContact CD1-CD2 3.98Å; F355-L391 HydrophobicContact CE1-CD2 4.09Å; F355-L403 HydrophobicContact CE1-CD1 4.47Å; F355-I420 HydrophobicContact CE2-CG2 4.08Å; F355-I420 HydrophobicContact CZ-CD1 4.03Å; F355-I420 HydrophobicContact CZ-CG2 4.15Å
356	E	95.9	Very high	96.1	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-59.8	-41	172.1	-172.6	-165.9	150.5	0	0	112.3	R329 T332 G352 G353 I358 M359 S360 Y383 G387 N390 L391	R329-E356 IonicContact CZ-OE1 3.02Å; R329-E356 IonicContact CZ-OE2 2.79Å; R329-E356 VanDerWaalsContact CZ-OE2 3.26Å; R329-E356 IonicContact NH1-OE1 3.97Å; R329-E356 PolarHBondContact NH1-OE1 3.35Å; R329-E356 IonicContact NH1-OE2 3.12Å; R329-E356 PolarHBondContact NH1-OE2 3.21Å; R329-E356 VanDerWaalsContact NH1-OE2 3.12Å; R329-E356 IonicContact NH2-OE1 3.23Å; R329-E356 PolarHBondContact NH2-OE1 2.75Å; R329-E356 IonicContact NH2-OE2 2.64Å; R329-E356 PolarHBondContact NH2-OE2 2.96Å; T332-E356 HydrophobicContact CG2-CG 4.37Å; G352-E356 PolarHBondContact O-N 2.94Å; G353-E356 PolarHBondContact O-N 3.36Å; E356-I358 PolarHBondContact O-N 3.5Å; E356-M359 PolarHBondContact O-N 2.84Å; E356-S360 PolarHBondContact O-N 2.86Å; E356-Y383 WeakPolarHBondContact OE2-CE1 3.35Å; E356-Y383 PolarHBondContact OE2-OH 3.45Å; E356-G387 VanDerWaalsContact CD-CA 3.49Å; E356-G387 VanDerWaalsContact OE1-CA 3.32Å; E356-G387 WeakPolarHBondContact OE1-CA 3.41Å; E356-G387 WeakPolarHBondContact OE2-CA 3.28Å; E356-N390 HydrophobicContact CG-CB 3.91Å; E356-N390 PolarHBondContact OE1-ND2 3.33Å; E356-L391 HydrophobicContact CB-CD2 4.2Å; E356-L391 HydrophobicContact CG-CD2 4.42Å
357	M	95.1	Very high	96.1	Very high	30 Å²	30	14.8 Å²	14.8	15%	0.148	8%	0.079	C	C	.	.	H	α-helix	trans	-58.1	-49	179.6	-174	-174.3	72.5	0	0	111.4	F305 L328 I331 I335 G353 A354 F355 S360	F305-M357 HydrophobicContact CE1-CE 4.19Å; L328-M357 HydrophobicContact CD1-CB 4.14Å; I331-M357 HydrophobicContact CG1-SD 4.4Å; I331-M357 HydrophobicContact CG2-CG 4.38Å; I331-M357 HydrophobicContact CG2-SD 4.47Å; I335-M357 HydrophobicContact CD1-CG 3.82Å; G353-M357 PolarHBondContact O-N 2.73Å; A354-M357 WeakPolarHBondContact O-CB 3.29Å; A354-M357 PolarHBondContact O-N 3.47Å; F355-M357 VanDerWaalsContact C-N 3.3Å; F355-M357 PolarHBondContact O-N 3.23Å; M357-S360 WeakPolarHBondContact O-CB 3.49Å; M357-S360 PolarHBondContact O-N 2.81Å; M357-S360 PolarHBondContact O-OG 3.13Å
358	I	96.8	Very high	96.2	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-70.2	-34.4	178.3	65.7	170.2	0	0	0	112.2	F305 V346 V350 A354 F355 E356 S360 S361 I364 F372	F305-I358 HydrophobicContact CE1-CG2 3.64Å; F305-I358 HydrophobicContact CZ-CG2 3.94Å; V346-I358 HydrophobicContact CG2-CD1 3.98Å; V346-I358 HydrophobicContact CG2-CG2 4.49Å; V350-I358 HydrophobicContact CG1-CD1 3.96Å; V350-I358 HydrophobicContact CG1-CG1 4.46Å; V350-I358 HydrophobicContact CG2-CD1 4.17Å; A354-I358 PolarHBondContact O-N 2.86Å; A354-I358 VanDerWaalsContact O-N 3.08Å; F355-I358 HydrophobicContact CD2-CD1 4.16Å; F355-I358 HydrophobicContact CD2-CG1 4.33Å; F355-I358 VanDerWaalsContact O-CG1 3.22Å; F355-I358 WeakPolarHBondContact O-CG1 3.38Å; F355-I358 PolarHBondContact O-N 3.4Å; E356-I358 PolarHBondContact O-N 3.5Å; I358-S360 PolarHBondContact O-N 3.09Å; I358-S361 WeakPolarHBondContact O-CB 3.28Å; I358-S361 PolarHBondContact O-N 2.95Å; I358-S361 PolarHBondContact O-OG 3.29Å; I358-I364 HydrophobicContact CB-CD1 4.27Å; I358-I364 HydrophobicContact CD1-CD1 4.31Å; I358-I364 HydrophobicContact CD1-CG2 4.31Å; I358-I364 HydrophobicContact CG1-CD1 4.14Å; I358-I364 WeakPolarHBondContact O-CD1 3.38Å; I358-F372 HydrophobicContact CD1-CD1 3.89Å; I358-F372 HydrophobicContact CD1-CE1 3.7Å
359	M	97.2	Very high	96.3	Very high	9 Å²	9	18.7 Å²	18.7	4%	0.044	10%	0.103	C	C	.	.	H	α-helix	trans	-63.9	-22.7	173.1	-69.5	-68.5	-64.5	0	0	112.5	F355 E356 S361 I364 L391 D394 I420	F355-M359 HydrophobicContact CD1-CG 4.39Å; F355-M359 HydrophobicContact CD2-CG 4.31Å; F355-M359 HydrophobicContact CE1-CG 4.13Å; F355-M359 HydrophobicContact CE1-SD 4.48Å; F355-M359 HydrophobicContact CE2-CG 4.03Å; F355-M359 HydrophobicContact CE2-SD 4.05Å; F355-M359 HydrophobicContact CG-CG 4.47Å; F355-M359 HydrophobicContact CZ-CG 3.93Å; F355-M359 HydrophobicContact CZ-SD 3.83Å; F355-M359 WeakPolarHBondContact O-CB 3.44Å; F355-M359 WeakPolarHBondContact O-CG 3.19Å; F355-M359 PolarHBondContact O-N 2.66Å; E356-M359 PolarHBondContact O-N 2.84Å; M359-S361 VanDerWaalsContact C-N 3.32Å; M359-I364 HydrophobicContact SD-CD1 4.16Å; M359-L391 HydrophobicContact CB-CD2 4.11Å; M359-L391 HydrophobicContact CG-CD2 3.88Å; M359-D394 HydrophobicContact CE-CB 4.09Å; M359-D394 WeakPolarHBondContact CE-OD2 3.22Å; M359-I420 HydrophobicContact CE-CG1 4.33Å; M359-I420 HydrophobicContact SD-CB 4.43Å; M359-I420 HydrophobicContact SD-CG1 4.32Å; M359-I420 HydrophobicContact SD-CG2 3.6Å
360	S	96	Very high	96.4	Very high	5 Å²	5	18 Å²	18	4%	0.035	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.6	-11.2	174.5	79.8	0	0	0	0	113.9	I335 Q336 E356 M357 I358	I335-S360 VanDerWaalsContact CG2-O 3.28Å; I335-S360 WeakPolarHBondContact CG2-O 3.39Å; Q336-S360 WeakPolarHBondContact CG-O 3.41Å; E356-S360 PolarHBondContact O-N 2.86Å; M357-S360 WeakPolarHBondContact O-CB 3.49Å; M357-S360 PolarHBondContact O-N 2.81Å; M357-S360 PolarHBondContact O-OG 3.13Å; I358-S360 PolarHBondContact O-N 3.09Å
361	S	96.9	Very high	96.5	Very high	14 Å²	14	20 Å²	20	10%	0.098	11%	0.111	C	C	.	.	S	Bend	trans	-80.1	169.4	174.9	76.6	0	0	0	0	111.9	S344 I358 M359 L363	S344-S361 WeakPolarHBondContact OG-CB 3.41Å; S344-S361 PolarHBondContact OG-OG 2.88Å; I358-S361 WeakPolarHBondContact O-CB 3.28Å; I358-S361 PolarHBondContact O-N 2.95Å; I358-S361 PolarHBondContact O-OG 3.29Å; M359-S361 VanDerWaalsContact C-N 3.32Å; S361-L363 PolarHBondContact OG-O 3.3Å
362	D	98.4	Very high	96.8	Very high	58 Å²	58	15.9 Å²	15.9	31%	0.31	10%	0.095	S	C	.	.	S	Bend	trans	-85.5	-30	-171	-53.2	-68.9	0	0	0	112.8	P341 I342 K453	P341-D362 VanDerWaalsContact CA-OD2 3.29Å; P341-D362 WeakPolarHBondContact CA-OD2 3.27Å; I342-D362 PolarHBondContact N-OD2 2.93Å; I342-D362 PolarHBondContact O-N 2.91Å; D362-K453 VanDerWaalsContact OD1-CD 3.31Å; D362-K453 WeakPolarHBondContact OD1-CD 3.4Å; D362-K453 WeakPolarHBondContact OD1-CE 3.23Å; D362-K453 IonicContact OD1-NZ 3.99Å; D362-K453 PolarHBondContact OD1-NZ 2.92Å; D362-K453 WeakPolarHBondContact OD2-CE 3.48Å; D362-K453 IonicContact OD2-NZ 3.82Å; D362-K453 PolarHBondContact OD2-NZ 3.4Å
363	L	98.7	Very high	97	Very high	34 Å²	34	15.7 Å²	15.7	18%	0.178	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	147.9	176.5	-69	92.3	0	0	0	110.6	I342 I343 S344 S361 N422 M437	I342-L363 PolarHBondContact O-N 3.48Å; I343-L363 CarbonylContact C-O 3.59Å; I343-L363 WeakPolarHBondContact CA-O 3.5Å; I343-L363 HydrophobicContact CG1-CB 4.25Å; I343-L363 HydrophobicContact CG1-CD1 4.49Å; I343-L363 HydrophobicContact CG2-CB 4.23Å; S344-L363 PolarHBondContact N-O 3.07Å; S361-L363 PolarHBondContact OG-O 3.3Å; L363-N422 VanDerWaalsContact CA-OD1 3.28Å; L363-N422 WeakPolarHBondContact CA-OD1 3.33Å; L363-M437 HydrophobicContact CD2-SD 3.83Å
364	I	98.8	Very high	97.2	Very high	7 Å²	7	15.4 Å²	15.4	4%	0.036	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	121.2	174.9	-44.3	177.8	0	0	0	109.7	S344 V346 I358 M359 L421 N422 H423	S344-I364 WeakPolarHBondContact O-CA 3.22Å; V346-I364 HydrophobicContact CG2-CG2 3.79Å; I358-I364 HydrophobicContact CB-CD1 4.27Å; I358-I364 HydrophobicContact CD1-CD1 4.31Å; I358-I364 HydrophobicContact CD1-CG2 4.31Å; I358-I364 HydrophobicContact CG1-CD1 4.14Å; I358-I364 WeakPolarHBondContact O-CD1 3.38Å; M359-I364 HydrophobicContact SD-CD1 4.16Å; I364-L421 HydrophobicContact CB-CD2 3.8Å; I364-L421 HydrophobicContact CD1-CD2 4.43Å; I364-L421 HydrophobicContact CG2-CD2 3.38Å; I364-N422 PolarHBondContact N-OD1 3.17Å; I364-N422 PolarHBondContact O-N 3.14Å; I364-H423 PolarHBondContact O-N 3.19Å
365	I	98.8	Very high	97.2	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	126.8	173.9	-55	174	0	0	0	106.9	I343 S344 M345 V346 H423 V425 L430 F433 T434 M437	I343-I365 HydrophobicContact CG2-CD1 3.99Å; I343-I365 HydrophobicContact CG2-CG1 4.15Å; S344-I365 PolarHBondContact O-N 3.03Å; M345-I365 CarbonylContact C-O 3.58Å; M345-I365 WeakPolarHBondContact CA-O 3.35Å; V346-I365 PolarHBondContact N-O 2.93Å; I365-H423 WeakPolarHBondContact CA-O 3.34Å; I365-H423 HydrophobicContact CG1-CB 4.43Å; I365-H423 HydrophobicContact CG2-CB 4.18Å; I365-V425 HydrophobicContact CG2-CG2 4.28Å; I365-L430 HydrophobicContact CB-CD1 4.48Å; I365-L430 HydrophobicContact CG2-CD1 3.7Å; I365-F433 HydrophobicContact CD1-CD1 4.01Å; I365-F433 HydrophobicContact CD1-CE1 3.99Å; I365-F433 HydrophobicContact CG2-CD1 3.89Å; I365-F433 HydrophobicContact CG2-CE1 4.19Å; I365-T434 HydrophobicContact CD1-CG2 3.89Å; I365-M437 HydrophobicContact CD1-CE 4.46Å; I365-M437 HydrophobicContact CD1-SD 3.87Å
366	A	98.7	Very high	97.1	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	149.4	-174.4	0	0	0	0	0	113	V346 F372 L421 H423 V424 V425	V346-A366 HydrophobicContact CB-CB 4.06Å; V346-A366 WeakPolarHBondContact O-CA 3.35Å; A366-F372 HydrophobicContact CB-CZ 3.86Å; A366-L421 HydrophobicContact CB-CD1 3.81Å; A366-L421 HydrophobicContact CB-CD2 4.46Å; A366-H423 PolarHBondContact N-O 3.34Å; A366-V424 WeakPolarHBondContact O-CA 3.34Å; A366-V425 PolarHBondContact O-N 2.82Å
367	A	98.2	Very high	97.1	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.4	146.5	163.2	0	0	0	0	0	110.4	V346 T369 S370 A412 V425 V427 L430	V346-A367 PolarHBondContact O-N 3.45Å; A367-T369 PolarHBondContact O-N 3Å; A367-S370 WeakPolarHBondContact O-CB 3.35Å; A367-S370 PolarHBondContact O-N 3.01Å; A367-S370 PolarHBondContact O-OG 2.85Å; A367-A412 WeakPolarHBondContact O-CB 3.3Å; A367-V425 CarbonylContact C-O 3.55Å; A367-V425 WeakPolarHBondContact CA-O 3.43Å; A367-V427 HydrophobicContact CB-CB 4.17Å; A367-V427 HydrophobicContact CB-CG2 4.31Å; A367-L430 HydrophobicContact CB-CD2 4.09Å
368	S	97.7	Very high	97.1	Very high	16 Å²	16	21.8 Å²	21.8	11%	0.112	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.1	-24.4	174.8	63.9	0	0	0	0	113.3	Q413 V425 E426	S368-Q413 PolarHBondContact O-NE2 2.85Å; S368-V425 PolarHBondContact N-O 2.94Å; S368-E426 PolarHBondContact OG-OE1 2.81Å; S368-E426 PolarHBondContact OG-OE2 2.95Å
369	T	96.9	Very high	96.8	Very high	97 Å²	97	22.7 Å²	22.7	60%	0.595	13%	0.132	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.4	-8.2	-178.6	56.7	0	0	0	0	114.4	A367	A367-T369 PolarHBondContact O-N 3Å
370	S	98.1	Very high	96.6	Very high	1 Å²	1	23.1 Å²	23.1	1%	0.007	14%	0.139	C	C	.	.			trans	-69.1	148.8	-177.6	-64.7	0	0	0	0	112	V346 G348 A367 A412	V346-S370 PolarHBondContact O-OG 2.89Å; G348-S370 PolarHBondContact N-OG 2.83Å; G348-S370 WeakPolarHBondContact O-CA 3.49Å; G348-S370 VanDerWaalsContact O-CB 3.28Å; G348-S370 WeakPolarHBondContact O-CB 3.3Å; G348-S370 PolarHBondContact O-OG 3.24Å; A367-S370 WeakPolarHBondContact O-CB 3.35Å; A367-S370 PolarHBondContact O-N 3.01Å; A367-S370 PolarHBondContact O-OG 2.85Å; S370-A412 PolarHBondContact O-N 3.04Å
371	T	98.3	Very high	96.5	Very high	43 Å²	43	23.9 Å²	23.9	26%	0.264	14%	0.143	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	150	179.9	52.5	0	0	0	0	111.1	G348 S349 V350 I410	G348-T371 PolarHBondContact O-N 2.91Å; S349-T371 CarbonylContact C-O 3.56Å; S349-T371 WeakPolarHBondContact CA-O 3.15Å; S349-T371 WeakPolarHBondContact CB-OG1 3.31Å; V350-T371 PolarHBondContact N-O 2.73Å; T371-I410 CarbonylContact C-O 3.42Å; T371-I410 VanDerWaalsContact CA-O 3.28Å; T371-I410 WeakPolarHBondContact CA-O 3.49Å
372	F	98.3	Very high	96.4	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	127.1	-170.1	-52.6	-93.4	0	0	0	110.1	V346 V350 F355 I358 A366 P409 I410 A412 A415 L421	V346-F372 HydrophobicContact CB-CE1 4.46Å; V346-F372 HydrophobicContact CG1-CE1 3.89Å; V346-F372 HydrophobicContact CG1-CZ 4.08Å; V346-F372 HydrophobicContact CG2-CE1 4.45Å; V350-F372 HydrophobicContact CB-CD1 3.92Å; V350-F372 HydrophobicContact CB-CE1 4.46Å; V350-F372 HydrophobicContact CG2-CD1 3.82Å; V350-F372 HydrophobicContact CG2-CE1 3.85Å; F355-F372 HydrophobicContact CD2-CB 3.9Å; F355-F372 AromaticContact CD2-CD1 3.86Å; F355-F372 HydrophobicContact CD2-CD1 3.86Å; F355-F372 HydrophobicContact CD2-CG 4.32Å; F355-F372 HydrophobicContact CE2-CB 3.77Å; F355-F372 AromaticContact CE2-CD1 3.88Å; F355-F372 HydrophobicContact CE2-CD1 3.88Å; F355-F372 HydrophobicContact CE2-CG 4.12Å; I358-F372 HydrophobicContact CD1-CD1 3.89Å; I358-F372 HydrophobicContact CD1-CE1 3.7Å; A366-F372 HydrophobicContact CB-CZ 3.86Å; F372-P409 CarbonylContact O-C 3.56Å; F372-P409 VanDerWaalsContact O-CA 3.31Å; F372-P409 WeakPolarHBondContact O-CA 3.49Å; F372-I410 HydrophobicContact CB-CG1 4.11Å; F372-I410 PolarHBondContact N-O 3.5Å; F372-I410 PolarHBondContact O-N 3.31Å; F372-A412 HydrophobicContact CE2-CB 4.19Å; F372-A415 HydrophobicContact CD2-CB 3.99Å; F372-A415 HydrophobicContact CE2-CB 4.21Å; F372-L421 HydrophobicContact CE1-CD2 4.09Å; F372-L421 HydrophobicContact CE2-CD1 3.88Å; F372-L421 HydrophobicContact CE2-CD2 4.43Å; F372-L421 HydrophobicContact CZ-CD1 3.9Å; F372-L421 HydrophobicContact CZ-CD2 3.82Å; F372-L421 HydrophobicContact CZ-CG 4.46Å
373	S	96.4	Very high	96.2	Very high	1 Å²	1	22.7 Å²	22.7	1%	0.007	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	140.8	176.2	-175	0	0	0	0	112	V350 W351 G352 T375 A407	V350-S373 PolarHBondContact O-N 2.68Å; W351-S373 CarbonylContact C-O 3.59Å; G352-S373 PolarHBondContact N-O 3.4Å; S373-T375 VanDerWaalsContact OG-CG2 3.31Å; S373-T375 WeakPolarHBondContact OG-CG2 3.3Å; S373-A407 PolarHBondContact OG-O 3.25Å
374	M	96.3	Very high	95.9	Very high	1 Å²	1	22 Å²	22	1%	0.005	13%	0.13	C	C	.	.			trans	-108.1	109.2	173.3	-167.4	61.2	-166	0	0	109.8	F355 P376 Y383 L391 I404 A407	F355-M374 HydrophobicContact CB-SD 4.43Å; F355-M374 HydrophobicContact CD1-CB 4.17Å; F355-M374 HydrophobicContact CD1-SD 4.09Å; M374-P376 HydrophobicContact CE-CG 4.28Å; M374-Y383 HydrophobicContact CE-CD1 4.07Å; M374-Y383 HydrophobicContact CE-CD2 4.06Å; M374-Y383 HydrophobicContact CE-CE1 3.5Å; M374-Y383 VanDerWaalsContact CE-CE1 3.5Å; M374-Y383 HydrophobicContact CE-CE2 3.51Å; M374-Y383 HydrophobicContact CE-CG 4.31Å; M374-Y383 WeakPolarHBondContact CE-OH 3.38Å; M374-L391 HydrophobicContact CE-CD1 3.84Å; M374-L391 HydrophobicContact CG-CD1 3.91Å; M374-L391 HydrophobicContact SD-CD1 3.86Å; M374-I404 HydrophobicContact CB-CG1 4.31Å; M374-I404 HydrophobicContact CG-CG1 3.85Å; M374-A407 WeakPolarHBondContact O-CA 3.49Å
375	T	94.4	Very high	95.6	Very high	23 Å²	23	24.7 Å²	24.7	14%	0.141	15%	0.145	C	C	.	.			trans	-112.1	19	-160.7	55.9	0	0	0	0	118.2	W351 G352 S373 V377 N378 A407	W351-T375 HydrophobicContact CE3-CG2 3.89Å; W351-T375 HydrophobicContact CZ3-CG2 4.37Å; G352-T375 WeakPolarHBondContact CA-OG1 3.29Å; S373-T375 VanDerWaalsContact OG-CG2 3.31Å; S373-T375 WeakPolarHBondContact OG-CG2 3.3Å; T375-V377 PolarHBondContact O-N 3.43Å; T375-N378 PolarHBondContact O-N 2.95Å; T375-N378 VanDerWaalsContact O-N 3.14Å; T375-A407 HydrophobicContact CG2-CB 4.32Å
376	P	93.7	Very high	95.2	Very high	10 Å²	10	28.3 Å²	28.3	7%	0.065	17%	0.167	C	C	.	.	G	3₁₀ helix	trans	-62.1	-32.2	-175.7	26.8	-33.7	0	0	0	113.2	M374 N378 L379 G380 V381 Y383 I404	M374-P376 HydrophobicContact CE-CG 4.28Å; P376-N378 VanDerWaalsContact C-N 3.27Å; P376-N378 PolarHBondContact O-N 2.93Å; P376-L379 PolarHBondContact O-N 3.09Å; P376-G380 PolarHBondContact O-N 3.36Å; P376-V381 HydrophobicContact CB-CB 4.18Å; P376-V381 PolarHBondContact O-N 2.93Å; P376-Y383 HydrophobicContact CB-CD2 3.78Å; P376-Y383 HydrophobicContact CB-CG 4.45Å; P376-Y383 HydrophobicContact CG-CD2 4.17Å; P376-I404 HydrophobicContact CG-CG2 4.27Å
377	V	96.2	Very high	95	Very high	57 Å²	57	28.3 Å²	28.3	35%	0.345	17%	0.167	S	C	.	.	G	3₁₀ helix	trans	-69.6	-20.7	-179.9	-58.9	0	0	0	0	113.8	T375 L379 I404 A407	T375-V377 PolarHBondContact O-N 3.43Å; V377-L379 PolarHBondContact O-N 3.23Å; V377-I404 HydrophobicContact CG1-CG2 4.28Å; V377-I404 WeakPolarHBondContact CG1-O 3.49Å; V377-I404 WeakPolarHBondContact CG2-O 3.43Å; V377-A407 HydrophobicContact CG2-CB 3.69Å
378	N	93.6	Very high	94.8	Very high	82 Å²	82	30.9 Å²	30.9	44%	0.439	18%	0.18	S	C	.	.	G	3₁₀ helix	trans	-71	-16.1	175.6	-74.1	-12.4	0	0	0	112.5	T375 P376 A407	T375-N378 PolarHBondContact O-N 2.95Å; T375-N378 VanDerWaalsContact O-N 3.14Å; P376-N378 VanDerWaalsContact C-N 3.27Å; P376-N378 PolarHBondContact O-N 2.93Å; N378-A407 WeakPolarHBondContact OD1-CB 3.46Å
379	L	91.6	Very high	94.7	Very high	19 Å²	19	32 Å²	32	10%	0.099	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-122.8	0.5	-173.5	-65.2	173.7	0	0	0	112.8	I311 P376 V377 V381 G489 M490 F493	I311-L379 HydrophobicContact CD1-CD1 3.73Å; I311-L379 HydrophobicContact CD1-CD2 4.32Å; I311-L379 HydrophobicContact CG1-CD1 3.97Å; P376-L379 PolarHBondContact O-N 3.09Å; V377-L379 PolarHBondContact O-N 3.23Å; L379-V381 VanDerWaalsContact C-N 3.26Å; L379-V381 HydrophobicContact CB-CG2 3.67Å; L379-V381 HydrophobicContact CD1-CG2 4.44Å; L379-V381 PolarHBondContact O-N 3.3Å; L379-G489 WeakPolarHBondContact CD2-O 3.48Å; L379-M490 HydrophobicContact CB-CE 3.73Å; L379-M490 HydrophobicContact CD1-CE 3.85Å; L379-M490 HydrophobicContact CD2-CE 3.65Å; L379-M490 HydrophobicContact CG-CE 3.93Å; L379-F493 HydrophobicContact CD2-CB 3.61Å; L379-F493 HydrophobicContact CD2-CD2 3.84Å; L379-F493 HydrophobicContact CD2-CG 3.93Å
380	G	93.6	Very high	94.6	Very high	17 Å²	17	27.4 Å²	27.4	18%	0.175	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.5	23.4	-173.4	0	0	0	0	0	114	P376 P382 V480 Y486	P376-G380 PolarHBondContact O-N 3.36Å; G380-P382 WeakPolarHBondContact O-CD 3.47Å; G380-V480 WeakPolarHBondContact O-CG1 3.45Å; G380-Y486 WeakPolarHBondContact O-CD2 3.36Å
381	V	93.2	Very high	94.5	Very high	21 Å²	21	27.6 Å²	27.6	13%	0.127	16%	0.156	C	C	.	.			trans	-79.4	123.9	-174.1	175.3	0	0	0	0	111.1	L314 L322 P376 L379 Y383 Y486	L314-V381 HydrophobicContact CD1-CG2 4.47Å; L322-V381 HydrophobicContact CD1-CG1 4.36Å; P376-V381 HydrophobicContact CB-CB 4.18Å; P376-V381 PolarHBondContact O-N 2.93Å; L379-V381 VanDerWaalsContact C-N 3.26Å; L379-V381 HydrophobicContact CB-CG2 3.67Å; L379-V381 HydrophobicContact CD1-CG2 4.44Å; L379-V381 PolarHBondContact O-N 3.3Å; V381-Y383 PolarHBondContact O-N 3.45Å; V381-Y486 HydrophobicContact CG2-CE2 3.99Å
382	P	93.9	Very high	94.2	Very high	14 Å²	14	27.1 Å²	27.1	9%	0.091	15%	0.153	C	C	.	.			trans	-79.3	87	174.4	30	-29.8	0	0	0	111.3	G380 R477 V480 Y481	G380-P382 WeakPolarHBondContact O-CD 3.47Å; P382-R477 HydrophobicContact CB-CB 4.16Å; P382-R477 HydrophobicContact CB-CG 4.23Å; P382-R477 WeakPolarHBondContact CG-O 3.38Å; P382-R477 PolarHBondContact O-NE 3.08Å; P382-R477 PolarHBondContact O-NH2 3.29Å; P382-R477 VanDerWaalsContact O-NH2 3.12Å; P382-V480 HydrophobicContact CB-CB 3.8Å; P382-V480 HydrophobicContact CB-CG1 3.75Å; P382-V480 HydrophobicContact CG-CB 3.98Å; P382-V480 HydrophobicContact CG-CG1 3.86Å; P382-Y481 HydrophobicContact CG-CD1 4.19Å
383	Y	94.6	Very high	93.9	Very high	33 Å²	33	31.2 Å²	31.2	13%	0.129	17%	0.169	C	C	.	.			trans	-54.2	142.3	177.6	-133.3	-105.9	0	0	0	111.8	L322 E356 M374 P376 V381 I388	L322-Y383 HydrophobicContact CD1-CD2 3.68Å; L322-Y383 HydrophobicContact CD1-CE2 3.98Å; L322-Y383 HydrophobicContact CD1-CG 4.01Å; E356-Y383 WeakPolarHBondContact OE2-CE1 3.35Å; E356-Y383 PolarHBondContact OE2-OH 3.45Å; M374-Y383 HydrophobicContact CE-CD1 4.07Å; M374-Y383 HydrophobicContact CE-CD2 4.06Å; M374-Y383 HydrophobicContact CE-CE1 3.5Å; M374-Y383 VanDerWaalsContact CE-CE1 3.5Å; M374-Y383 HydrophobicContact CE-CE2 3.51Å; M374-Y383 HydrophobicContact CE-CG 4.31Å; M374-Y383 WeakPolarHBondContact CE-OH 3.38Å; P376-Y383 HydrophobicContact CB-CD2 3.78Å; P376-Y383 HydrophobicContact CB-CG 4.45Å; P376-Y383 HydrophobicContact CG-CD2 4.17Å; V381-Y383 PolarHBondContact O-N 3.45Å; Y383-I388 HydrophobicContact CD1-CD1 3.79Å; Y383-I388 HydrophobicContact CD1-CG1 4.06Å; Y383-I388 HydrophobicContact CG-CD1 4.16Å
384	N	91.7	Very high	93.8	Very high	19 Å²	19	35.1 Å²	35.1	10%	0.102	19%	0.189	C	C	.	.			trans	-86.3	160.9	-175.3	84.6	-7.1	0	0	0	112.6	L322 R329 V386 G387 I388	L322-N384 HydrophobicContact CB-CB 4.1Å; L322-N384 PolarHBondContact O-ND2 3.39Å; R329-N384 WeakPolarHBondContact CD-ND2 3.36Å; R329-N384 PolarHBondContact NH1-OD1 3.33Å; N384-V386 VanDerWaalsContact C-N 3.33Å; N384-V386 PolarHBondContact O-N 3.05Å; N384-G387 PolarHBondContact O-N 2.75Å; N384-G387 VanDerWaalsContact O-N 3.13Å; N384-G387 PolarHBondContact OD1-N 3.39Å; N384-I388 WeakPolarHBondContact O-CG1 3.08Å; N384-I388 PolarHBondContact O-N 3.24Å
385	L	92.5	Very high	93.7	Very high	65 Å²	65	35.3 Å²	35.3	34%	0.34	19%	0.191	S	C	.	.	H	α-helix	trans	-57.5	-43.7	-175.5	-77.4	168.9	0	0	0	112.8	G387 I388 H389 M465 F470 I473	L385-G387 VanDerWaalsContact C-N 3.3Å; L385-G387 PolarHBondContact O-N 2.78Å; L385-I388 PolarHBondContact O-N 2.97Å; L385-H389 WeakPolarHBondContact O-CB 3.22Å; L385-H389 PolarHBondContact O-N 3.47Å; L385-M465 HydrophobicContact CD1-CE 3.74Å; L385-M465 HydrophobicContact CD2-CE 4.27Å; L385-F470 HydrophobicContact CD1-CD1 3.64Å; L385-F470 HydrophobicContact CD1-CE1 3.64Å; L385-I473 HydrophobicContact CD1-CB 4.34Å; L385-I473 HydrophobicContact CD1-CG2 3.99Å; L385-I473 HydrophobicContact CD2-CG2 4.24Å; L385-I473 HydrophobicContact CG-CG2 4Å
386	V	92.3	Very high	93.7	Very high	75 Å²	75	36.4 Å²	36.4	46%	0.455	21%	0.207	S	C	.	.	H	α-helix	trans	-61	-42.3	178.9	176.4	0	0	0	0	110.8	N384 H389 N390	N384-V386 VanDerWaalsContact C-N 3.33Å; N384-V386 PolarHBondContact O-N 3.05Å; V386-H389 PolarHBondContact O-N 3.22Å; V386-N390 VanDerWaalsContact O-CG 3.24Å; V386-N390 PolarHBondContact O-N 2.78Å; V386-N390 PolarHBondContact O-ND2 3.21Å
387	G	93.6	Very high	93.8	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-66.6	-45.1	179.3	0	0	0	0	0	113.5	E356 N384 L385 H389 N390	E356-G387 VanDerWaalsContact CD-CA 3.49Å; E356-G387 VanDerWaalsContact OE1-CA 3.32Å; E356-G387 WeakPolarHBondContact OE1-CA 3.41Å; E356-G387 WeakPolarHBondContact OE2-CA 3.28Å; N384-G387 PolarHBondContact O-N 2.75Å; N384-G387 VanDerWaalsContact O-N 3.13Å; N384-G387 PolarHBondContact OD1-N 3.39Å; L385-G387 VanDerWaalsContact C-N 3.3Å; L385-G387 PolarHBondContact O-N 2.78Å; G387-H389 VanDerWaalsContact C-N 3.28Å; G387-H389 PolarHBondContact O-N 2.64Å; G387-N390 PolarHBondContact O-N 3.42Å
388	I	95	Very high	93.9	Very high	55 Å²	55	47 Å²	47	28%	0.282	25%	0.25	S	C	.	.	H	α-helix	trans	-61.3	-42.5	174.7	-65.3	-60.4	0	0	0	110.4	Y383 N384 L385 N390 L391 I404	Y383-I388 HydrophobicContact CD1-CD1 3.79Å; Y383-I388 HydrophobicContact CD1-CG1 4.06Å; Y383-I388 HydrophobicContact CG-CD1 4.16Å; N384-I388 WeakPolarHBondContact O-CG1 3.08Å; N384-I388 PolarHBondContact O-N 3.24Å; L385-I388 PolarHBondContact O-N 2.97Å; I388-N390 VanDerWaalsContact C-N 3.31Å; I388-N390 PolarHBondContact O-N 3.24Å; I388-L391 WeakPolarHBondContact O-CB 3.37Å; I388-L391 PolarHBondContact O-N 2.82Å; I388-I404 HydrophobicContact CD1-CD1 3.86Å
389	H	94	Very high	94.1	Very high	39 Å²	39	45.1 Å²	45.1	18%	0.181	24%	0.239	C	C	.	.	H	α-helix	trans	-64	-34.3	179.9	-176.4	-150.3	0	0	0	113.4	L385 V386 G387 L391 T392 G460 H463	L385-H389 WeakPolarHBondContact O-CB 3.22Å; L385-H389 PolarHBondContact O-N 3.47Å; V386-H389 PolarHBondContact O-N 3.22Å; G387-H389 VanDerWaalsContact C-N 3.28Å; G387-H389 PolarHBondContact O-N 2.64Å; H389-L391 PolarHBondContact O-N 3.03Å; H389-T392 PolarHBondContact O-N 2.94Å; H389-T392 PolarHBondContact O-OG1 2.96Å; H389-G460 PolarHBondContact CE1-O 2.85Å; H389-G460 PolarHBondContact NE2-O 3.16Å; H389-H463 AromaticContact CE1-ND1 3.51Å; H389-H463 AromaticContact NE2-CE1 3.71Å; H389-H463 AromaticContact NE2-CG 3.69Å; H389-H463 AromaticContact NE2-ND1 3Å; H389-H463 PolarHBondContact NE2-ND1 3.48Å
390	N	94.7	Very high	94.4	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-61.7	-23	173.4	-70.7	-22.9	0	0	0	112.6	Q336 E356 V386 G387 I388 R393	Q336-N390 PolarHBondContact NE2-OD1 2.78Å; E356-N390 HydrophobicContact CG-CB 3.91Å; E356-N390 PolarHBondContact OE1-ND2 3.33Å; V386-N390 VanDerWaalsContact O-CG 3.24Å; V386-N390 PolarHBondContact O-N 2.78Å; V386-N390 PolarHBondContact O-ND2 3.21Å; G387-N390 PolarHBondContact O-N 3.42Å; I388-N390 VanDerWaalsContact C-N 3.31Å; I388-N390 PolarHBondContact O-N 3.24Å; N390-R393 PolarHBondContact OD1-NH1 3.35Å; N390-R393 PolarHBondContact OD1-NH2 2.63Å
391	L	95.8	Very high	94.6	Very high	6 Å²	6	48.7 Å²	48.7	3%	0.031	25%	0.25	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.6	-9.2	179.2	-55.6	176.5	0	0	0	113.7	F355 E356 M359 M374 I388 H389 V400 I404	F355-L391 HydrophobicContact CD1-CD2 3.98Å; F355-L391 HydrophobicContact CE1-CD2 4.09Å; E356-L391 HydrophobicContact CB-CD2 4.2Å; E356-L391 HydrophobicContact CG-CD2 4.42Å; M359-L391 HydrophobicContact CB-CD2 4.11Å; M359-L391 HydrophobicContact CG-CD2 3.88Å; M374-L391 HydrophobicContact CE-CD1 3.84Å; M374-L391 HydrophobicContact CG-CD1 3.91Å; M374-L391 HydrophobicContact SD-CD1 3.86Å; I388-L391 WeakPolarHBondContact O-CB 3.37Å; I388-L391 PolarHBondContact O-N 2.82Å; H389-L391 PolarHBondContact O-N 3.03Å; L391-V400 HydrophobicContact CB-CG1 4.24Å; L391-V400 VanDerWaalsContact O-CG2 3.3Å; L391-V400 WeakPolarHBondContact O-CG2 3.35Å; L391-I404 HydrophobicContact CD1-CD1 4.19Å
392	T	93.8	Very high	94.8	Very high	32 Å²	32	51.3 Å²	51.3	20%	0.196	26%	0.261	C	S	.	.	S	Bend	trans	-102.1	9.3	-172.1	57.9	0	0	0	0	114.1	H389 F397 V400	H389-T392 PolarHBondContact O-N 2.94Å; H389-T392 PolarHBondContact O-OG1 2.96Å; T392-F397 HydrophobicContact CG2-CE1 4.17Å; T392-F397 HydrophobicContact CG2-CZ 4.34Å; T392-V400 HydrophobicContact CG2-CG1 4.22Å
393	R	91.7	Very high	95	Very high	87 Å²	87	51.1 Å²	51.1	33%	0.328	26%	0.259	S	S	.	.	S	Bend	trans	-86.3	-24	-176.1	-63	-177.7	-175.5	146.7	3.5	113.3	N390	N390-R393 PolarHBondContact OD1-NH1 3.35Å; N390-R393 PolarHBondContact OD1-NH2 2.63Å
394	D	94	Very high	95.1	Very high	83 Å²	83	50.5 Å²	50.5	44%	0.444	26%	0.258	S	S	.	.	S	Bend	trans	-112	-65.2	-172	-49.2	-77.8	0	0	0	111.9	M359	M359-D394 HydrophobicContact CE-CB 4.09Å; M359-D394 WeakPolarHBondContact CE-OD2 3.22Å
395	A	94.1	Very high	95.5	Very high	4 Å²	4	56.4 Å²	56.4	3%	0.033	28%	0.283	C	S	.	.	S	Bend	trans	-82.2	147.8	-179.1	0	0	0	0	0	112.4	I399 V400 V418 I420	A395-I399 HydrophobicContact CB-CB 4.2Å; A395-I399 HydrophobicContact CB-CG2 4.09Å; A395-V400 HydrophobicContact CB-CG2 4.1Å; A395-V418 HydrophobicContact CB-CG2 4.45Å; A395-I420 HydrophobicContact CB-CD1 4.25Å; A395-I420 HydrophobicContact CB-CG1 4.04Å
396	G	94.1	Very high	95.7	Very high	47 Å²	47	56.6 Å²	56.6	49%	0.485	29%	0.286	S	S	.	.			trans	-61.7	152	174.7	0	0	0	0	0	113.2	H398 I399 V400	G396-H398 VanDerWaalsContact C-N 3.25Å; G396-H398 PolarHBondContact O-N 3.43Å; G396-I399 WeakPolarHBondContact O-CB 3.44Å; G396-I399 PolarHBondContact O-N 3.03Å; G396-V400 PolarHBondContact O-N 3.46Å
397	F	96.5	Very high	95.9	Very high	132 Å²	132	53.3 Å²	53.3	58%	0.579	27%	0.268	S	S	*	.	H	α-helix	trans	-53.3	-34.7	-173.9	-93.6	53.5	0	0	0	114.8	T392 K401	T392-F397 HydrophobicContact CG2-CE1 4.17Å; T392-F397 HydrophobicContact CG2-CZ 4.34Å; F397-K401 WeakPolarHBondContact O-CB 3.29Å; F397-K401 VanDerWaalsContact O-CG 3.24Å; F397-K401 WeakPolarHBondContact O-CG 3.32Å; F397-K401 PolarHBondContact O-N 3.42Å
398	H	98	Very high	96.1	Very high	158 Å²	158	56.2 Å²	56.2	73%	0.731	29%	0.288	S	S	*	.	H	α-helix	trans	-65.8	-38.8	177.7	-65.7	166.3	0	0	0	112.3	G396 K401 E402	G396-H398 VanDerWaalsContact C-N 3.25Å; G396-H398 PolarHBondContact O-N 3.43Å; H398-K401 PolarHBondContact O-N 3.02Å; H398-E402 PolarHBondContact O-N 3.03Å
399	I	97.8	Very high	96.2	Very high	42 Å²	42	57.2 Å²	57.2	22%	0.215	30%	0.298	C	S	.	.	H	α-helix	trans	-70.1	-44	178.8	-58	-58	0	0	0	110.2	A395 G396 K401 E402 L403 V418	A395-I399 HydrophobicContact CB-CB 4.2Å; A395-I399 HydrophobicContact CB-CG2 4.09Å; G396-I399 WeakPolarHBondContact O-CB 3.44Å; G396-I399 PolarHBondContact O-N 3.03Å; I399-K401 VanDerWaalsContact C-N 3.31Å; I399-K401 PolarHBondContact O-N 3.29Å; I399-E402 PolarHBondContact O-N 3.4Å; I399-L403 HydrophobicContact CG2-CD1 4.24Å; I399-L403 PolarHBondContact O-N 2.96Å; I399-V418 HydrophobicContact CD1-CG1 4.22Å; I399-V418 HydrophobicContact CG1-CB 4.47Å; I399-V418 HydrophobicContact CG1-CG1 4.24Å; I399-V418 HydrophobicContact CG2-CB 4.11Å; I399-V418 HydrophobicContact CG2-CG1 4.14Å; I399-V418 HydrophobicContact CG2-CG2 4.03Å
400	V	97.1	Very high	96.4	Very high	11 Å²	11	55.8 Å²	55.8	7%	0.067	29%	0.292	C	S	.	.	H	α-helix	trans	-60.8	-42.7	176.6	178.5	0	0	0	0	110.9	L391 T392 A395 G396 L403 I404	L391-V400 HydrophobicContact CB-CG1 4.24Å; L391-V400 VanDerWaalsContact O-CG2 3.3Å; L391-V400 WeakPolarHBondContact O-CG2 3.35Å; T392-V400 HydrophobicContact CG2-CG1 4.22Å; A395-V400 HydrophobicContact CB-CG2 4.1Å; G396-V400 PolarHBondContact O-N 3.46Å; V400-L403 PolarHBondContact O-N 2.94Å; V400-I404 HydrophobicContact CG1-CD1 3.7Å; V400-I404 HydrophobicContact CG1-CG1 4.47Å; V400-I404 VanDerWaalsContact O-CG1 3.31Å; V400-I404 WeakPolarHBondContact O-CG1 3.35Å; V400-I404 PolarHBondContact O-N 2.71Å
401	K	98.3	Very high	96.6	Very high	99 Å²	99	58.9 Å²	58.9	43%	0.43	31%	0.311	S	S	.	.	H	α-helix	trans	-62.3	-44.7	174.2	-75.3	173.5	-178	-179.4	0	112.1	F397 H398 I399 L403 I404 F405	F397-K401 WeakPolarHBondContact O-CB 3.29Å; F397-K401 VanDerWaalsContact O-CG 3.24Å; F397-K401 WeakPolarHBondContact O-CG 3.32Å; F397-K401 PolarHBondContact O-N 3.42Å; H398-K401 PolarHBondContact O-N 3.02Å; I399-K401 VanDerWaalsContact C-N 3.31Å; I399-K401 PolarHBondContact O-N 3.29Å; K401-L403 PolarHBondContact O-N 3.02Å; K401-I404 PolarHBondContact O-N 2.92Å; K401-F405 HydrophobicContact CB-CD2 4.11Å; K401-F405 HydrophobicContact CB-CE2 3.82Å; K401-F405 HydrophobicContact CB-CZ 4.17Å; K401-F405 HydrophobicContact CD-CE2 4.3Å; K401-F405 HydrophobicContact CD-CZ 4.45Å; K401-F405 HydrophobicContact CG-CE2 4Å; K401-F405 HydrophobicContact CG-CZ 3.96Å; K401-F405 WeakPolarHBondContact O-CB 3.39Å; K401-F405 WeakPolarHBondContact O-CD2 3.37Å; K401-F405 WeakPolarHBondContact O-CG 3.4Å; K401-F405 PolarHBondContact O-N 2.75Å
402	E	98.5	Very high	96.7	Very high	76 Å²	76	58.6 Å²	58.6	36%	0.355	31%	0.309	S	S	.	.	H	α-helix	trans	-58.3	-48.8	176	-174.7	-169.9	153.9	0	0	111.2	H398 I399 I404 T406 R414	H398-E402 PolarHBondContact O-N 3.03Å; I399-E402 PolarHBondContact O-N 3.4Å; E402-I404 PolarHBondContact O-N 3.26Å; E402-T406 HydrophobicContact CG-CG2 4.26Å; E402-T406 VanDerWaalsContact O-CB 3.32Å; E402-T406 WeakPolarHBondContact O-CB 3.29Å; E402-T406 VanDerWaalsContact O-CG2 3.28Å; E402-T406 WeakPolarHBondContact O-CG2 3.18Å; E402-T406 PolarHBondContact O-N 2.93Å; E402-T406 PolarHBondContact O-OG1 2.95Å; E402-R414 IonicContact OE1-CZ 3.27Å; E402-R414 VanDerWaalsContact OE1-CZ 3.23Å; E402-R414 IonicContact OE1-NH1 3.57Å; E402-R414 PolarHBondContact OE1-NH1 2.56Å; E402-R414 IonicContact OE1-NH2 2.73Å; E402-R414 PolarHBondContact OE1-NH2 3.36Å; E402-R414 IonicContact OE2-CZ 3.5Å; E402-R414 IonicContact OE2-NH2 2.94Å; E402-R414 PolarHBondContact OE2-NH2 3.41Å
403	L	97	Very high	96.9	Very high	10 Å²	10	61.6 Å²	61.6	5%	0.052	32%	0.321	C	S	.	.	H	α-helix	trans	-57.4	-48.7	178.7	-80.5	169.1	0	0	0	112.1	F355 I399 V400 K401 A407 I410 I420	F355-L403 HydrophobicContact CE1-CD1 4.47Å; I399-L403 HydrophobicContact CG2-CD1 4.24Å; I399-L403 PolarHBondContact O-N 2.96Å; V400-L403 PolarHBondContact O-N 2.94Å; K401-L403 PolarHBondContact O-N 3.02Å; L403-A407 WeakPolarHBondContact O-CA 3.36Å; L403-A407 PolarHBondContact O-N 3.04Å; L403-A407 VanDerWaalsContact O-N 3.09Å; L403-I410 HydrophobicContact CD1-CD1 4.27Å; L403-I410 HydrophobicContact CD2-CB 4.36Å; L403-I410 HydrophobicContact CD2-CD1 3.91Å; L403-I410 HydrophobicContact CD2-CG1 3.89Å; L403-I410 HydrophobicContact CD2-CG2 3.61Å; L403-I420 HydrophobicContact CD1-CD1 3.96Å
404	I	97.7	Very high	97.2	Very high	20 Å²	20	62 Å²	62	10%	0.103	32%	0.322	C	S	.	.	H	α-helix	trans	-72.3	-45	-177.1	-64.9	169.7	0	0	0	111.3	M374 P376 V377 I388 L391 V400 K401 E402	M374-I404 HydrophobicContact CB-CG1 4.31Å; M374-I404 HydrophobicContact CG-CG1 3.85Å; P376-I404 HydrophobicContact CG-CG2 4.27Å; V377-I404 HydrophobicContact CG1-CG2 4.28Å; V377-I404 WeakPolarHBondContact CG1-O 3.49Å; V377-I404 WeakPolarHBondContact CG2-O 3.43Å; I388-I404 HydrophobicContact CD1-CD1 3.86Å; L391-I404 HydrophobicContact CD1-CD1 4.19Å; V400-I404 HydrophobicContact CG1-CD1 3.7Å; V400-I404 HydrophobicContact CG1-CG1 4.47Å; V400-I404 VanDerWaalsContact O-CG1 3.31Å; V400-I404 WeakPolarHBondContact O-CG1 3.35Å; V400-I404 PolarHBondContact O-N 2.71Å; K401-I404 PolarHBondContact O-N 2.92Å; E402-I404 PolarHBondContact O-N 3.26Å
405	F	98.4	Very high	97.4	Very high	144 Å²	144	58.1 Å²	58.1	63%	0.632	30%	0.301	S	S	*	.	H	α-helix	trans	-74.3	-29.9	-173	-63	-11.2	0	0	0	112.6	K401	K401-F405 HydrophobicContact CB-CD2 4.11Å; K401-F405 HydrophobicContact CB-CE2 3.82Å; K401-F405 HydrophobicContact CB-CZ 4.17Å; K401-F405 HydrophobicContact CD-CE2 4.3Å; K401-F405 HydrophobicContact CD-CZ 4.45Å; K401-F405 HydrophobicContact CG-CE2 4Å; K401-F405 HydrophobicContact CG-CZ 3.96Å; K401-F405 WeakPolarHBondContact O-CB 3.39Å; K401-F405 WeakPolarHBondContact O-CD2 3.37Å; K401-F405 WeakPolarHBondContact O-CG 3.4Å; K401-F405 PolarHBondContact O-N 2.75Å
406	T	98.3	Very high	97.6	Very high	68 Å²	68	61.2 Å²	61.2	42%	0.417	32%	0.317	S	S	.	.	H	α-helix	trans	-92.6	-21.4	178.8	67.1	0	0	0	0	113.2	E402 S408	E402-T406 HydrophobicContact CG-CG2 4.26Å; E402-T406 VanDerWaalsContact O-CB 3.32Å; E402-T406 WeakPolarHBondContact O-CB 3.29Å; E402-T406 VanDerWaalsContact O-CG2 3.28Å; E402-T406 WeakPolarHBondContact O-CG2 3.18Å; E402-T406 PolarHBondContact O-N 2.93Å; E402-T406 PolarHBondContact O-OG1 2.95Å; T406-S408 PolarHBondContact O-N 3.46Å; T406-S408 PolarHBondContact O-OG 3.25Å; T406-S408 WeakPolarHBondContact OG1-CB 3.41Å; T406-S408 PolarHBondContact OG1-N 3.13Å
407	A	96.5	Very high	97.8	Very high	7 Å²	7	63.2 Å²	63.2	6%	0.058	33%	0.329	C	S	.	.			trans	46.4	25	-168.9	0	0	0	0	0	114	S373 M374 T375 V377 N378 L403	S373-A407 PolarHBondContact OG-O 3.25Å; M374-A407 WeakPolarHBondContact O-CA 3.49Å; T375-A407 HydrophobicContact CG2-CB 4.32Å; V377-A407 HydrophobicContact CG2-CB 3.69Å; N378-A407 WeakPolarHBondContact OD1-CB 3.46Å; L403-A407 WeakPolarHBondContact O-CA 3.36Å; L403-A407 PolarHBondContact O-N 3.04Å; L403-A407 VanDerWaalsContact O-N 3.09Å
408	S	96	Very high	97.9	Very high	60 Å²	60	58.7 Å²	58.7	42%	0.42	31%	0.312	S	S	.	.			trans	-88.5	137.3	-176.3	-67.4	0	0	0	0	109.9	T406	T406-S408 PolarHBondContact O-N 3.46Å; T406-S408 PolarHBondContact O-OG 3.25Å; T406-S408 WeakPolarHBondContact OG1-CB 3.41Å; T406-S408 PolarHBondContact OG1-N 3.13Å
409	P	97.3	Very high	97.9	Very high	77 Å²	77	53.1 Å²	53.1	50%	0.5	30%	0.297	S	S	.	.			trans	-67.9	139.3	179.1	28.2	-33.5	0	0	0	111.1	F372	F372-P409 CarbonylContact O-C 3.56Å; F372-P409 VanDerWaalsContact O-CA 3.31Å; F372-P409 WeakPolarHBondContact O-CA 3.49Å
410	I	98.2	Very high	97.9	Very high	9 Å²	9	51.4 Å²	51.4	5%	0.046	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	150.8	167.9	64	165.8	0	0	0	110.5	T371 F372 L403 R414 A415 I420	T371-I410 CarbonylContact C-O 3.42Å; T371-I410 VanDerWaalsContact CA-O 3.28Å; T371-I410 WeakPolarHBondContact CA-O 3.49Å; F372-I410 HydrophobicContact CB-CG1 4.11Å; F372-I410 PolarHBondContact N-O 3.5Å; F372-I410 PolarHBondContact O-N 3.31Å; L403-I410 HydrophobicContact CD1-CD1 4.27Å; L403-I410 HydrophobicContact CD2-CB 4.36Å; L403-I410 HydrophobicContact CD2-CD1 3.91Å; L403-I410 HydrophobicContact CD2-CG1 3.89Å; L403-I410 HydrophobicContact CD2-CG2 3.61Å; I410-R414 HydrophobicContact CB-CB 4.33Å; I410-R414 HydrophobicContact CB-CG 4.33Å; I410-A415 HydrophobicContact CD1-CB 3.75Å; I410-A415 HydrophobicContact CG1-CB 4.39Å; I410-I420 HydrophobicContact CD1-CD1 4.11Å
411	T	98.6	Very high	98	Very high	65 Å²	65	51.3 Å²	51.3	40%	0.399	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	160.6	176.5	69.1	0	0	0	0	111.5	Q413 R414 A415	T411-Q413 PolarHBondContact O-N 3.41Å; T411-Q413 PolarHBondContact OG1-OE1 3.26Å; T411-R414 PolarHBondContact O-N 3.47Å; T411-R414 VanDerWaalsContact O-N 3.15Å; T411-R414 PolarHBondContact OG1-N 3.47Å; T411-A415 WeakPolarHBondContact O-CB 3.41Å; T411-A415 PolarHBondContact O-N 2.88Å
412	A	98.4	Very high	98	Very high	0 Å²	0	50 Å²	50	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-53.3	-41	171.4	0	0	0	0	0	112.7	A367 S370 F372 R414 A415 L416 L421 V424	A367-A412 WeakPolarHBondContact O-CB 3.3Å; S370-A412 PolarHBondContact O-N 3.04Å; F372-A412 HydrophobicContact CE2-CB 4.19Å; A412-R414 PolarHBondContact O-N 3.07Å; A412-A415 PolarHBondContact O-N 3.24Å; A412-L416 WeakPolarHBondContact O-CB 3.18Å; A412-L416 PolarHBondContact O-N 3.36Å; A412-L421 HydrophobicContact CB-CD1 4.18Å; A412-V424 HydrophobicContact CB-CG1 3.85Å; A412-V424 HydrophobicContact CB-CG2 3.92Å; A412-V424 WeakPolarHBondContact O-CG2 3.5Å
413	Q	98.4	Very high	98	Very high	94 Å²	94	50 Å²	50	44%	0.439	29%	0.285	S	S	.	.	H	α-helix	trans	-64.5	-41.4	178.8	-61	74.1	19.8	0	0	111.6	S368 T411 A417	S368-Q413 PolarHBondContact O-NE2 2.85Å; T411-Q413 PolarHBondContact O-N 3.41Å; T411-Q413 PolarHBondContact OG1-OE1 3.26Å; Q413-A417 WeakPolarHBondContact O-CB 3.38Å; Q413-A417 PolarHBondContact O-N 3.38Å
414	R	98.4	Very high	98.1	Very high	97 Å²	97	51.1 Å²	51.1	37%	0.366	29%	0.292	S	S	.	.	H	α-helix	trans	-67.3	-42.6	175.4	-175.8	171.9	-175.1	-165.6	0.5	111	E402 I410 T411 A412 L416 A417 V418	E402-R414 IonicContact OE1-CZ 3.27Å; E402-R414 VanDerWaalsContact OE1-CZ 3.23Å; E402-R414 IonicContact OE1-NH1 3.57Å; E402-R414 PolarHBondContact OE1-NH1 2.56Å; E402-R414 IonicContact OE1-NH2 2.73Å; E402-R414 PolarHBondContact OE1-NH2 3.36Å; E402-R414 IonicContact OE2-CZ 3.5Å; E402-R414 IonicContact OE2-NH2 2.94Å; E402-R414 PolarHBondContact OE2-NH2 3.41Å; I410-R414 HydrophobicContact CB-CB 4.33Å; I410-R414 HydrophobicContact CB-CG 4.33Å; T411-R414 PolarHBondContact O-N 3.47Å; T411-R414 VanDerWaalsContact O-N 3.15Å; T411-R414 PolarHBondContact OG1-N 3.47Å; A412-R414 PolarHBondContact O-N 3.07Å; R414-L416 VanDerWaalsContact C-N 3.34Å; R414-L416 PolarHBondContact O-N 3.03Å; R414-A417 PolarHBondContact O-N 3.27Å; R414-V418 WeakPolarHBondContact O-CG2 3.45Å; R414-V418 PolarHBondContact O-N 3.02Å; R414-V418 VanDerWaalsContact O-N 3.11Å
415	A	98.5	Very high	98.1	Very high	0 Å²	0	51 Å²	51	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-61.4	-40.9	177.9	0	0	0	0	0	111.9	F372 I410 T411 A412 V418 G419 I420 L421	F372-A415 HydrophobicContact CD2-CB 3.99Å; F372-A415 HydrophobicContact CE2-CB 4.21Å; I410-A415 HydrophobicContact CD1-CB 3.75Å; I410-A415 HydrophobicContact CG1-CB 4.39Å; T411-A415 WeakPolarHBondContact O-CB 3.41Å; T411-A415 PolarHBondContact O-N 2.88Å; A412-A415 PolarHBondContact O-N 3.24Å; A415-V418 WeakPolarHBondContact O-CG2 3.41Å; A415-G419 PolarHBondContact O-N 3.31Å; A415-I420 HydrophobicContact CB-CB 4.26Å; A415-I420 HydrophobicContact CB-CG2 4.29Å; A415-I420 WeakPolarHBondContact O-CB 3.43Å; A415-I420 PolarHBondContact O-N 3.35Å; A415-L421 HydrophobicContact CB-CD1 3.72Å; A415-L421 HydrophobicContact CB-CG 3.75Å
416	L	98.6	Very high	98	Very high	70 Å²	70	49 Å²	49	37%	0.366	29%	0.285	S	S	.	.	H	α-helix	trans	-61.9	-47.6	171.4	-179.1	63.1	0	0	0	111.8	A412 R414 V418 G419 L421 V424	A412-L416 WeakPolarHBondContact O-CB 3.18Å; A412-L416 PolarHBondContact O-N 3.36Å; R414-L416 VanDerWaalsContact C-N 3.34Å; R414-L416 PolarHBondContact O-N 3.03Å; L416-V418 PolarHBondContact O-N 3.38Å; L416-G419 PolarHBondContact O-N 3.2Å; L416-L421 HydrophobicContact CB-CB 4.41Å; L416-L421 HydrophobicContact CD1-CB 4.38Å; L416-L421 VanDerWaalsContact CD1-O 3.22Å; L416-L421 WeakPolarHBondContact CD1-O 3.06Å; L416-V424 HydrophobicContact CB-CG2 3.77Å; L416-V424 HydrophobicContact CD2-CB 4.09Å; L416-V424 HydrophobicContact CD2-CG2 3.9Å; L416-V424 HydrophobicContact CG-CG2 4.31Å
417	A	98.3	Very high	97.7	Very high	88 Å²	88	47.7 Å²	47.7	73%	0.727	28%	0.277	S	S	*	.	H	α-helix	trans	-62.8	-27.1	-177.2	0	0	0	0	0	113.9	Q413 R414	Q413-A417 WeakPolarHBondContact O-CB 3.38Å; Q413-A417 PolarHBondContact O-N 3.38Å; R414-A417 PolarHBondContact O-N 3.27Å
418	V	98.2	Very high	97.5	Very high	37 Å²	37	53 Å²	53	22%	0.224	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.5	5.2	177.3	-55.9	0	0	0	0	113.5	A395 I399 R414 A415 L416 I420	A395-V418 HydrophobicContact CB-CG2 4.45Å; I399-V418 HydrophobicContact CD1-CG1 4.22Å; I399-V418 HydrophobicContact CG1-CB 4.47Å; I399-V418 HydrophobicContact CG1-CG1 4.24Å; I399-V418 HydrophobicContact CG2-CB 4.11Å; I399-V418 HydrophobicContact CG2-CG1 4.14Å; I399-V418 HydrophobicContact CG2-CG2 4.03Å; R414-V418 WeakPolarHBondContact O-CG2 3.45Å; R414-V418 PolarHBondContact O-N 3.02Å; R414-V418 VanDerWaalsContact O-N 3.11Å; A415-V418 WeakPolarHBondContact O-CG2 3.41Å; L416-V418 PolarHBondContact O-N 3.38Å; V418-I420 HydrophobicContact CG2-CD1 3.68Å; V418-I420 HydrophobicContact CG2-CG1 4.06Å
419	G	97.3	Very high	97.3	Very high	41 Å²	41	55.6 Å²	55.6	42%	0.423	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	86.4	9.4	173.9	0	0	0	0	0	116.1	A415 L416	A415-G419 PolarHBondContact O-N 3.31Å; L416-G419 PolarHBondContact O-N 3.2Å
420	I	98.2	Very high	97.3	Very high	6 Å²	6	52.1 Å²	52.1	3%	0.031	28%	0.283	C	S	.	.	S	Bend	trans	-73.2	-38.8	178.1	-75.3	160.6	0	0	0	111.9	F355 M359 A395 L403 I410 A415 V418	F355-I420 HydrophobicContact CE2-CG2 4.08Å; F355-I420 HydrophobicContact CZ-CD1 4.03Å; F355-I420 HydrophobicContact CZ-CG2 4.15Å; M359-I420 HydrophobicContact CE-CG1 4.33Å; M359-I420 HydrophobicContact SD-CB 4.43Å; M359-I420 HydrophobicContact SD-CG1 4.32Å; M359-I420 HydrophobicContact SD-CG2 3.6Å; A395-I420 HydrophobicContact CB-CD1 4.25Å; A395-I420 HydrophobicContact CB-CG1 4.04Å; L403-I420 HydrophobicContact CD1-CD1 3.96Å; I410-I420 HydrophobicContact CD1-CD1 4.11Å; A415-I420 HydrophobicContact CB-CB 4.26Å; A415-I420 HydrophobicContact CB-CG2 4.29Å; A415-I420 WeakPolarHBondContact O-CB 3.43Å; A415-I420 PolarHBondContact O-N 3.35Å; V418-I420 HydrophobicContact CG2-CD1 3.68Å; V418-I420 HydrophobicContact CG2-CG1 4.06Å
421	L	98.6	Very high	97	Very high	9 Å²	9	55.5 Å²	55.5	5%	0.047	30%	0.299	C	S	.	.			trans	-105.3	146.5	-176.9	-54.5	179.8	0	0	0	110.6	I364 A366 F372 A412 A415 L416 V424	I364-L421 HydrophobicContact CB-CD2 3.8Å; I364-L421 HydrophobicContact CD1-CD2 4.43Å; I364-L421 HydrophobicContact CG2-CD2 3.38Å; A366-L421 HydrophobicContact CB-CD1 3.81Å; A366-L421 HydrophobicContact CB-CD2 4.46Å; F372-L421 HydrophobicContact CE1-CD2 4.09Å; F372-L421 HydrophobicContact CE2-CD1 3.88Å; F372-L421 HydrophobicContact CE2-CD2 4.43Å; F372-L421 HydrophobicContact CZ-CD1 3.9Å; F372-L421 HydrophobicContact CZ-CD2 3.82Å; F372-L421 HydrophobicContact CZ-CG 4.46Å; A412-L421 HydrophobicContact CB-CD1 4.18Å; A415-L421 HydrophobicContact CB-CD1 3.72Å; A415-L421 HydrophobicContact CB-CG 3.75Å; L416-L421 HydrophobicContact CB-CB 4.41Å; L416-L421 HydrophobicContact CD1-CB 4.38Å; L416-L421 VanDerWaalsContact CD1-O 3.22Å; L416-L421 WeakPolarHBondContact CD1-O 3.06Å; L421-V424 HydrophobicContact CD1-CG2 3.67Å
422	N	98.8	Very high	96.7	Very high	72 Å²	72	57.5 Å²	57.5	39%	0.385	31%	0.307	S	S	.	.	S	Bend	trans	-77.4	-45.4	170.8	-60.7	82.4	0	0	0	110.8	L363 I364	L363-N422 VanDerWaalsContact CA-OD1 3.28Å; L363-N422 WeakPolarHBondContact CA-OD1 3.33Å; I364-N422 PolarHBondContact N-OD1 3.17Å; I364-N422 PolarHBondContact O-N 3.14Å
423	H	98.8	Very high	96.7	Very high	76 Å²	76	60.3 Å²	60.3	35%	0.352	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	146.8	-176.4	-67.4	-79.4	0	0	0	112.1	I364 I365 A366 F433	I364-H423 PolarHBondContact O-N 3.19Å; I365-H423 WeakPolarHBondContact CA-O 3.34Å; I365-H423 HydrophobicContact CG1-CB 4.43Å; I365-H423 HydrophobicContact CG2-CB 4.18Å; A366-H423 PolarHBondContact N-O 3.34Å; H423-F433 HydrophobicContact CB-CE1 3.75Å; H423-F433 HydrophobicContact CB-CZ 4.08Å; H423-F433 AromaticContact CD2-CE1 3.87Å; H423-F433 AromaticContact CD2-CZ 3.94Å; H423-F433 AromaticContact CG-CE1 3.66Å; H423-F433 AromaticContact CG-CZ 3.63Å; H423-F433 AromaticContact ND1-CZ 3.7Å
424	V	98.7	Very high	96.6	Very high	34 Å²	34	55.9 Å²	55.9	21%	0.206	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	127	169.2	178.5	0	0	0	0	107.3	A366 A412 L416 L421	A366-V424 WeakPolarHBondContact O-CA 3.34Å; A412-V424 HydrophobicContact CB-CG1 3.85Å; A412-V424 HydrophobicContact CB-CG2 3.92Å; A412-V424 WeakPolarHBondContact O-CG2 3.5Å; L416-V424 HydrophobicContact CB-CG2 3.77Å; L416-V424 HydrophobicContact CD2-CB 4.09Å; L416-V424 HydrophobicContact CD2-CG2 3.9Å; L416-V424 HydrophobicContact CG-CG2 4.31Å; L421-V424 HydrophobicContact CD1-CG2 3.67Å
425	V	97.6	Very high	96.3	Very high	18 Å²	18	54.1 Å²	54.1	11%	0.109	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	163.9	-176.7	-64.3	0	0	0	0	110.1	I365 A366 A367 S368 L430 F433	I365-V425 HydrophobicContact CG2-CG2 4.28Å; A366-V425 PolarHBondContact O-N 2.82Å; A367-V425 CarbonylContact C-O 3.55Å; A367-V425 WeakPolarHBondContact CA-O 3.43Å; S368-V425 PolarHBondContact N-O 2.94Å; V425-L430 HydrophobicContact CG2-CB 4.04Å; V425-L430 HydrophobicContact CG2-CD1 3.74Å; V425-F433 HydrophobicContact CG1-CD1 4.17Å; V425-F433 HydrophobicContact CG1-CD2 4.15Å; V425-F433 HydrophobicContact CG1-CE1 4.46Å; V425-F433 HydrophobicContact CG1-CE2 4.43Å; V425-F433 HydrophobicContact CG1-CG 4.01Å
426	E	97.2	Very high	96.2	Very high	100 Å²	100	60.5 Å²	60.5	47%	0.467	33%	0.326	S	S	.	.			trans	-66.7	149.9	172.6	-64.2	-51.7	139.9	0	0	110.9	S368 E428 E429 L430	S368-E426 PolarHBondContact OG-OE1 2.81Å; S368-E426 PolarHBondContact OG-OE2 2.95Å; E426-E428 PolarHBondContact O-N 2.99Å; E426-E429 PolarHBondContact O-N 3.28Å; E426-L430 PolarHBondContact O-N 2.92Å; E426-L430 VanDerWaalsContact O-N 3.08Å
427	V	92.3	Very high	96.2	Very high	41 Å²	41	59.1 Å²	59.1	25%	0.248	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61	-31.7	-171.7	66.3	0	0	0	0	112.2	E347 A367 E429 L430	E347-V427 HydrophobicContact CG-CG2 3.99Å; E347-V427 VanDerWaalsContact OE1-CG2 3.31Å; E347-V427 WeakPolarHBondContact OE1-CG2 3.13Å; A367-V427 HydrophobicContact CB-CB 4.17Å; A367-V427 HydrophobicContact CB-CG2 4.31Å; V427-E429 VanDerWaalsContact C-N 3.25Å; V427-E429 PolarHBondContact O-N 3.26Å; V427-L430 PolarHBondContact O-N 3.01Å
428	E	90.6	Very high	96.1	Very high	118 Å²	118	55.3 Å²	55.3	55%	0.551	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.6	-23.9	177.4	-60.2	77.1	-168.3	0	0	113.1	E426	E426-E428 PolarHBondContact O-N 2.99Å
429	E	93.5	Very high	95.9	Very high	116 Å²	116	59.6 Å²	59.6	54%	0.542	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.3	-13.3	-178.2	-60.5	-178.8	169.9	0	0	112.5	E426 V427 E431 D432 F433	E426-E429 PolarHBondContact O-N 3.28Å; V427-E429 VanDerWaalsContact C-N 3.25Å; V427-E429 PolarHBondContact O-N 3.26Å; E429-E431 VanDerWaalsContact C-N 3.32Å; E429-E431 PolarHBondContact O-N 2.67Å; E429-D432 PolarHBondContact O-N 3.03Å; E429-F433 VanDerWaalsContact O-CB 3.25Å; E429-F433 WeakPolarHBondContact O-CB 3.39Å; E429-F433 PolarHBondContact O-N 3.2Å
430	L	96.1	Very high	95.8	Very high	4 Å²	4	62.6 Å²	62.6	2%	0.021	31%	0.307	C	S	.	.	H	α-helix	trans	-53.2	-46.8	-172.4	179.2	62.1	0	0	0	113.1	M345 E347 I365 A367 V425 E426 V427 T434	M345-L430 HydrophobicContact CG-CD1 3.77Å; M345-L430 HydrophobicContact CG-CD2 3.97Å; M345-L430 HydrophobicContact CG-CG 3.62Å; M345-L430 HydrophobicContact SD-CG 4.11Å; E347-L430 HydrophobicContact CB-CD2 4.02Å; I365-L430 HydrophobicContact CB-CD1 4.48Å; I365-L430 HydrophobicContact CG2-CD1 3.7Å; A367-L430 HydrophobicContact CB-CD2 4.09Å; V425-L430 HydrophobicContact CG2-CB 4.04Å; V425-L430 HydrophobicContact CG2-CD1 3.74Å; E426-L430 PolarHBondContact O-N 2.92Å; E426-L430 VanDerWaalsContact O-N 3.08Å; V427-L430 PolarHBondContact O-N 3.01Å; L430-T434 VanDerWaalsContact O-CB 3.28Å; L430-T434 WeakPolarHBondContact O-CB 3.4Å; L430-T434 PolarHBondContact O-N 2.87Å; L430-T434 VanDerWaalsContact O-N 3.14Å; L430-T434 PolarHBondContact O-OG1 2.94Å
431	E	93.3	Very high	95.8	Very high	79 Å²	79	63.9 Å²	63.9	37%	0.369	31%	0.314	S	S	.	.	H	α-helix	trans	-68.6	-51.8	-177.8	-179.8	158.2	-172.8	0	0	112.1	R297 M345 E429 F433 T434 L435	R297-E431 IonicContact CZ-OE1 2.87Å; R297-E431 IonicContact CZ-OE2 2.69Å; R297-E431 IonicContact NH1-OE1 2.71Å; R297-E431 PolarHBondContact NH1-OE1 3.35Å; R297-E431 IonicContact NH1-OE2 3.93Å; R297-E431 PolarHBondContact NH1-OE2 2.87Å; R297-E431 IonicContact NH2-OE2 3.51Å; R297-E431 PolarHBondContact NH2-OE2 3.11Å; M345-E431 HydrophobicContact CE-CB 4.39Å; E429-E431 VanDerWaalsContact C-N 3.32Å; E429-E431 PolarHBondContact O-N 2.67Å; E431-F433 PolarHBondContact O-N 3.12Å; E431-T434 PolarHBondContact O-N 2.53Å; E431-L435 HydrophobicContact CG-CD1 3.8Å; E431-L435 HydrophobicContact CG-CG 4.42Å; E431-L435 WeakPolarHBondContact O-CB 3.31Å; E431-L435 WeakPolarHBondContact O-CG 3.44Å; E431-L435 PolarHBondContact O-N 3.31Å
432	D	91	Very high	95.6	Very high	107 Å²	107	64.8 Å²	64.8	57%	0.572	32%	0.321	S	S	*	.	H	α-helix	trans	-62.8	-43.7	-178.2	-78.4	-14.9	0	0	0	111.5	E429 T434 L435 Q436	E429-D432 PolarHBondContact O-N 3.03Å; D432-T434 PolarHBondContact O-N 2.94Å; D432-L435 PolarHBondContact O-N 3.25Å; D432-Q436 WeakPolarHBondContact O-CB 3.45Å; D432-Q436 VanDerWaalsContact O-CG 3.22Å; D432-Q436 WeakPolarHBondContact O-CG 2.97Å; D432-Q436 PolarHBondContact O-N 2.7Å
433	F	97.9	Very high	95.5	Very high	60 Å²	60	68.6 Å²	68.6	26%	0.263	34%	0.336	S	S	.	.	H	α-helix	trans	-60.8	-46	177.6	-177.3	-87.3	0	0	0	111.6	I365 H423 V425 E429 E431 Q436 M437	I365-F433 HydrophobicContact CD1-CD1 4.01Å; I365-F433 HydrophobicContact CD1-CE1 3.99Å; I365-F433 HydrophobicContact CG2-CD1 3.89Å; I365-F433 HydrophobicContact CG2-CE1 4.19Å; H423-F433 HydrophobicContact CB-CE1 3.75Å; H423-F433 HydrophobicContact CB-CZ 4.08Å; H423-F433 AromaticContact CD2-CE1 3.87Å; H423-F433 AromaticContact CD2-CZ 3.94Å; H423-F433 AromaticContact CG-CE1 3.66Å; H423-F433 AromaticContact CG-CZ 3.63Å; H423-F433 AromaticContact ND1-CZ 3.7Å; V425-F433 HydrophobicContact CG1-CD1 4.17Å; V425-F433 HydrophobicContact CG1-CD2 4.15Å; V425-F433 HydrophobicContact CG1-CE1 4.46Å; V425-F433 HydrophobicContact CG1-CE2 4.43Å; V425-F433 HydrophobicContact CG1-CG 4.01Å; E429-F433 VanDerWaalsContact O-CB 3.25Å; E429-F433 WeakPolarHBondContact O-CB 3.39Å; E429-F433 PolarHBondContact O-N 3.2Å; E431-F433 PolarHBondContact O-N 3.12Å; F433-Q436 PolarHBondContact O-N 3.42Å; F433-M437 HydrophobicContact CE1-CE 3.66Å; F433-M437 HydrophobicContact CZ-CE 3.82Å; F433-M437 PolarHBondContact O-N 3.18Å; F433-M437 VanDerWaalsContact O-N 3.07Å
434	T	97.8	Very high	95.5	Very high	0 Å²	0	69.4 Å²	69.4	0%	0	34%	0.339	C	S	.	.	H	α-helix	trans	-67.8	-41.7	-178.9	-54.4	0	0	0	0	111.4	I295 I343 M345 I365 L430 E431 D432 M437 A438	I295-T434 HydrophobicContact CD1-CG2 3.87Å; I295-T434 HydrophobicContact CG1-CG2 4.07Å; I295-T434 HydrophobicContact CG2-CG2 4.21Å; I343-T434 HydrophobicContact CG2-CG2 3.86Å; M345-T434 HydrophobicContact CB-CG2 3.97Å; M345-T434 HydrophobicContact CG-CG2 3.99Å; M345-T434 WeakPolarHBondContact CG-OG1 3.33Å; M345-T434 WeakPolarHBondContact SD-CB 3.5Å; M345-T434 HydrophobicContact SD-CG2 3.7Å; M345-T434 PolarHBondContact SD-OG1 3.47Å; M345-T434 VanDerWaalsContact SD-OG1 3.38Å; I365-T434 HydrophobicContact CD1-CG2 3.89Å; L430-T434 VanDerWaalsContact O-CB 3.28Å; L430-T434 WeakPolarHBondContact O-CB 3.4Å; L430-T434 PolarHBondContact O-N 2.87Å; L430-T434 VanDerWaalsContact O-N 3.14Å; L430-T434 PolarHBondContact O-OG1 2.94Å; E431-T434 PolarHBondContact O-N 2.53Å; D432-T434 PolarHBondContact O-N 2.94Å; T434-M437 PolarHBondContact O-N 2.89Å; T434-A438 WeakPolarHBondContact O-CB 3.46Å; T434-A438 PolarHBondContact O-N 3.15Å
435	L	91.6	Very high	95.4	Very high	61 Å²	61	70.7 Å²	70.7	32%	0.319	35%	0.353	S	S	.	.	H	α-helix	trans	-63.8	-44.4	176.1	-74.3	172.2	0	0	0	111.9	I295 E431 D432 M437 A438 H439	I295-L435 HydrophobicContact CD1-CD2 3.83Å; E431-L435 HydrophobicContact CG-CD1 3.8Å; E431-L435 HydrophobicContact CG-CG 4.42Å; E431-L435 WeakPolarHBondContact O-CB 3.31Å; E431-L435 WeakPolarHBondContact O-CG 3.44Å; E431-L435 PolarHBondContact O-N 3.31Å; D432-L435 PolarHBondContact O-N 3.25Å; L435-M437 VanDerWaalsContact C-N 3.32Å; L435-M437 PolarHBondContact O-N 3.22Å; L435-A438 PolarHBondContact O-N 2.62Å; L435-H439 WeakPolarHBondContact O-CB 3.38Å; L435-H439 PolarHBondContact O-CD2 2.83Å; L435-H439 PolarHBondContact O-N 3.06Å
436	Q	96.1	Very high	95.3	Very high	134 Å²	134	72.5 Å²	72.5	63%	0.626	37%	0.365	S	S	*	.	H	α-helix	trans	-59.2	-44.4	176.5	-75.6	176.2	7.4	0	0	111.6	D432 F433 H439 H440	D432-Q436 WeakPolarHBondContact O-CB 3.45Å; D432-Q436 VanDerWaalsContact O-CG 3.22Å; D432-Q436 WeakPolarHBondContact O-CG 2.97Å; D432-Q436 PolarHBondContact O-N 2.7Å; F433-Q436 PolarHBondContact O-N 3.42Å; Q436-H439 PolarHBondContact O-N 2.98Å; Q436-H440 WeakPolarHBondContact O-CB 3.49Å; Q436-H440 PolarHBondContact O-N 3.01Å
437	M	97.8	Very high	95.2	Very high	40 Å²	40	74.8 Å²	74.8	20%	0.197	38%	0.38	C	S	.	.	H	α-helix	trans	-63.1	-45	175.9	-174.3	169.7	-64.8	0	0	111.9	L363 I365 F433 T434 L435 H439 H440 I441	L363-M437 HydrophobicContact CD2-SD 3.83Å; I365-M437 HydrophobicContact CD1-CE 4.46Å; I365-M437 HydrophobicContact CD1-SD 3.87Å; F433-M437 HydrophobicContact CE1-CE 3.66Å; F433-M437 HydrophobicContact CZ-CE 3.82Å; F433-M437 PolarHBondContact O-N 3.18Å; F433-M437 VanDerWaalsContact O-N 3.07Å; T434-M437 PolarHBondContact O-N 2.89Å; L435-M437 VanDerWaalsContact C-N 3.32Å; L435-M437 PolarHBondContact O-N 3.22Å; M437-H439 PolarHBondContact O-N 2.92Å; M437-H440 PolarHBondContact O-N 2.78Å; M437-I441 HydrophobicContact CG-CD1 3.95Å; M437-I441 VanDerWaalsContact O-CG1 3.32Å; M437-I441 WeakPolarHBondContact O-CG1 3.5Å; M437-I441 PolarHBondContact O-N 2.84Å
438	A	96.5	Very high	95.5	Very high	9 Å²	9	75 Å²	75	7%	0.074	39%	0.386	C	S	.	.	H	α-helix	trans	-62	-41.5	177.5	0	0	0	0	0	112.2	C293 I295 I343 T434 L435 I441 S442	C293-A438 HydrophobicContact CB-CB 4.23Å; I295-A438 HydrophobicContact CD1-CB 3.89Å; I295-A438 HydrophobicContact CG1-CB 4.32Å; I343-A438 HydrophobicContact CD1-CB 4.09Å; T434-A438 WeakPolarHBondContact O-CB 3.46Å; T434-A438 PolarHBondContact O-N 3.15Å; L435-A438 PolarHBondContact O-N 2.62Å; A438-I441 PolarHBondContact O-N 3.22Å; A438-S442 WeakPolarHBondContact O-CB 3.35Å; A438-S442 PolarHBondContact O-N 3.12Å; A438-S442 PolarHBondContact O-OG 2.94Å
439	H	93.5	Very high	95.9	Very high	126 Å²	126	71.4 Å²	71.4	58%	0.583	37%	0.37	S	S	*	.	H	α-helix	trans	-62.7	-45.7	174	-77.4	-56.8	0	0	0	111.4	L435 Q436 M437 I441 S442 E443	L435-H439 WeakPolarHBondContact O-CB 3.38Å; L435-H439 PolarHBondContact O-CD2 2.83Å; L435-H439 PolarHBondContact O-N 3.06Å; Q436-H439 PolarHBondContact O-N 2.98Å; M437-H439 PolarHBondContact O-N 2.92Å; H439-I441 VanDerWaalsContact C-N 3.34Å; H439-I441 PolarHBondContact O-N 3.26Å; H439-S442 WeakPolarHBondContact O-CA 3.42Å; H439-S442 WeakPolarHBondContact O-CB 3.43Å; H439-S442 PolarHBondContact O-N 2.98Å; H439-E443 PolarHBondContact O-N 2.86Å
440	H	96.9	Very high	96	Very high	105 Å²	105	67 Å²	67	49%	0.486	35%	0.354	S	S	.	.	H	α-helix	trans	-60.8	-41.6	177.8	-171.8	72.5	0	0	0	112.9	Q436 M437 S442 E443 K444	Q436-H440 WeakPolarHBondContact O-CB 3.49Å; Q436-H440 PolarHBondContact O-N 3.01Å; M437-H440 PolarHBondContact O-N 2.78Å; H440-S442 VanDerWaalsContact C-N 3.3Å; H440-E443 IonicContact ND1-OE2 3.49Å; H440-E443 PolarHBondContact O-N 3.06Å; H440-K444 PolarHBondContact CE1-NZ 3.4Å; H440-K444 WeakPolarHBondContact NE2-CE 3.48Å; H440-K444 PolarHBondContact NE2-NZ 3.41Å; H440-K444 VanDerWaalsContact O-CE 3.29Å; H440-K444 WeakPolarHBondContact O-CE 3.32Å
441	I	97.6	Very high	96.1	Very high	32 Å²	32	70.6 Å²	70.6	16%	0.164	38%	0.376	C	S	.	.	H	α-helix	trans	-64	-38.3	173.8	-69.4	166.4	0	0	0	110.6	P341 I343 M437 A438 H439 E443 K444 I449	P341-I441 HydrophobicContact CB-CG2 4.34Å; P341-I441 HydrophobicContact CG-CG2 3.82Å; I343-I441 HydrophobicContact CD1-CD1 4.22Å; M437-I441 HydrophobicContact CG-CD1 3.95Å; M437-I441 VanDerWaalsContact O-CG1 3.32Å; M437-I441 WeakPolarHBondContact O-CG1 3.5Å; M437-I441 PolarHBondContact O-N 2.84Å; A438-I441 PolarHBondContact O-N 3.22Å; H439-I441 VanDerWaalsContact C-N 3.34Å; H439-I441 PolarHBondContact O-N 3.26Å; I441-E443 PolarHBondContact O-N 3.02Å; I441-K444 WeakPolarHBondContact O-CB 3.11Å; I441-K444 WeakPolarHBondContact O-CG 3.39Å; I441-K444 PolarHBondContact O-N 3.25Å; I441-I449 HydrophobicContact CG2-CD1 4.04Å
442	S	95.2	Very high	96.3	Very high	29 Å²	29	71 Å²	71	20%	0.203	38%	0.38	C	S	.	.	H	α-helix	trans	-66.8	-20.6	-177.8	-62.3	0	0	0	0	114.1	R292 A438 H439 H440 K444	R292-S442 WeakPolarHBondContact CB-OG 3.19Å; R292-S442 PolarHBondContact NH1-O 3.03Å; A438-S442 WeakPolarHBondContact O-CB 3.35Å; A438-S442 PolarHBondContact O-N 3.12Å; A438-S442 PolarHBondContact O-OG 2.94Å; H439-S442 WeakPolarHBondContact O-CA 3.42Å; H439-S442 WeakPolarHBondContact O-CB 3.43Å; H439-S442 PolarHBondContact O-N 2.98Å; H440-S442 VanDerWaalsContact C-N 3.3Å; S442-K444 VanDerWaalsContact C-N 3.29Å
443	E	96.8	Very high	96.7	Very high	152 Å²	152	66.8 Å²	66.8	71%	0.71	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.6	-13.2	173.2	-65.7	-178.1	149.8	0	0	113.5	H439 H440 I441	H439-E443 PolarHBondContact O-N 2.86Å; H440-E443 IonicContact ND1-OE2 3.49Å; H440-E443 PolarHBondContact O-N 3.06Å; I441-E443 PolarHBondContact O-N 3.02Å
444	K	98	Very high	96.6	Very high	92 Å²	92	67.6 Å²	67.6	40%	0.4	36%	0.361	S	S	.	.	S	Bend	trans	-83.4	171.2	-178.6	-47.8	-49.4	178.2	-161.1	0	111.4	H440 I441 S442 P446 I449	H440-K444 PolarHBondContact CE1-NZ 3.4Å; H440-K444 WeakPolarHBondContact NE2-CE 3.48Å; H440-K444 PolarHBondContact NE2-NZ 3.41Å; H440-K444 VanDerWaalsContact O-CE 3.29Å; H440-K444 WeakPolarHBondContact O-CE 3.32Å; I441-K444 WeakPolarHBondContact O-CB 3.11Å; I441-K444 WeakPolarHBondContact O-CG 3.39Å; I441-K444 PolarHBondContact O-N 3.25Å; S442-K444 VanDerWaalsContact C-N 3.29Å; K444-P446 WeakPolarHBondContact O-CD 3.28Å; K444-I449 HydrophobicContact CB-CD1 3.87Å
445	A	97.4	Very high	96.5	Very high	61 Å²	61	73 Å²	73	50%	0.504	39%	0.386	S	S	.	.			trans	-69.7	109.3	-178.7	0	0	0	0	0	111.2	L447 A448 I449	A445-L447 VanDerWaalsContact C-N 3.33Å; A445-L447 PolarHBondContact O-N 2.87Å; A445-A448 HydrophobicContact CB-CB 4.03Å; A445-A448 PolarHBondContact O-N 2.7Å; A445-I449 PolarHBondContact O-N 3.38Å; A445-I449 VanDerWaalsContact O-N 3.15Å
446	P	95.4	Very high	96.8	Very high	57 Å²	57	75.5 Å²	75.5	37%	0.37	40%	0.399	S	S	.	.	H	α-helix	trans	-66.4	-33.2	-170.9	25.6	-34.5	0	0	0	113.1	K444 I449 A450	K444-P446 WeakPolarHBondContact O-CD 3.28Å; P446-I449 PolarHBondContact O-N 3.47Å; P446-A450 WeakPolarHBondContact O-CB 3.31Å; P446-A450 PolarHBondContact O-N 3.19Å
447	L	95	Very high	96.8	Very high	147 Å²	147	70.6 Å²	70.6	77%	0.77	38%	0.375	S	S	*	.	H	α-helix	trans	-69.6	-34	178.4	-59	-179.8	0	0	0	112.3	A445 V451	A445-L447 VanDerWaalsContact C-N 3.33Å; A445-L447 PolarHBondContact O-N 2.87Å; L447-V451 PolarHBondContact O-N 3.11Å
448	A	98.1	Very high	96.6	Very high	46 Å²	46	72.3 Å²	72.3	38%	0.38	39%	0.387	S	S	.	.	H	α-helix	trans	-68.1	-44.5	174.5	0	0	0	0	0	110.6	A445 A450 V451 I452	A445-A448 HydrophobicContact CB-CB 4.03Å; A445-A448 PolarHBondContact O-N 2.7Å; A448-A450 PolarHBondContact O-N 3.46Å; A448-V451 WeakPolarHBondContact O-CG1 3.46Å; A448-V451 PolarHBondContact O-N 2.88Å; A448-I452 WeakPolarHBondContact O-CB 3.3Å; A448-I452 WeakPolarHBondContact O-CD1 3.29Å; A448-I452 WeakPolarHBondContact O-CG1 3.39Å; A448-I452 PolarHBondContact O-N 3.44Å
449	I	98.2	Very high	96.3	Very high	42 Å²	42	77.6 Å²	77.6	22%	0.215	41%	0.414	C	S	.	.	H	α-helix	trans	-59.5	-47.1	175.2	-72.1	172.7	0	0	0	111	P341 I441 K444 A445 P446 V451 I452 K453	P341-I449 HydrophobicContact CG-CG2 3.48Å; P341-I449 VanDerWaalsContact CG-CG2 3.48Å; I441-I449 HydrophobicContact CG2-CD1 4.04Å; K444-I449 HydrophobicContact CB-CD1 3.87Å; A445-I449 PolarHBondContact O-N 3.38Å; A445-I449 VanDerWaalsContact O-N 3.15Å; P446-I449 PolarHBondContact O-N 3.47Å; I449-V451 PolarHBondContact O-N 3.45Å; I449-I452 PolarHBondContact O-N 2.83Å; I449-K453 VanDerWaalsContact O-CB 3.3Å; I449-K453 WeakPolarHBondContact O-CB 3.39Å; I449-K453 PolarHBondContact O-N 3.49Å
450	A	96.2	Very high	96.2	Very high	25 Å²	25	72.4 Å²	72.4	21%	0.207	39%	0.394	C	S	.	.	H	α-helix	trans	-59.9	-45.8	-177.5	0	0	0	0	0	112.1	P339 P446 A448 E454	P339-A450 HydrophobicContact CB-CB 4.27Å; P339-A450 WeakPolarHBondContact O-CB 3.04Å; P446-A450 WeakPolarHBondContact O-CB 3.31Å; P446-A450 PolarHBondContact O-N 3.19Å; A448-A450 PolarHBondContact O-N 3.46Å; A450-E454 PolarHBondContact O-N 2.99Å; A450-E454 VanDerWaalsContact O-N 3.11Å
451	V	97	Very high	95.7	Very high	78 Å²	78	71.3 Å²	71.3	47%	0.473	39%	0.389	S	S	.	.	H	α-helix	trans	-70.7	-41.3	179.9	74	0	0	0	0	111.9	L447 A448 I449 K453 E454 E455	L447-V451 PolarHBondContact O-N 3.11Å; A448-V451 WeakPolarHBondContact O-CG1 3.46Å; A448-V451 PolarHBondContact O-N 2.88Å; I449-V451 PolarHBondContact O-N 3.45Å; V451-K453 VanDerWaalsContact C-N 3.34Å; V451-K453 PolarHBondContact O-N 3.18Å; V451-E454 PolarHBondContact O-N 3.19Å; V451-E455 WeakPolarHBondContact O-CG 3.39Å; V451-E455 PolarHBondContact O-N 3.42Å
452	I	98.5	Very high	95.3	Very high	89 Å²	89	73 Å²	73	46%	0.456	41%	0.408	S	S	.	.	H	α-helix	trans	-63.3	-42.3	177.8	-68.9	166.3	0	0	0	110.6	A448 I449 E454 E455 L456	A448-I452 WeakPolarHBondContact O-CB 3.3Å; A448-I452 WeakPolarHBondContact O-CD1 3.29Å; A448-I452 WeakPolarHBondContact O-CG1 3.39Å; A448-I452 PolarHBondContact O-N 3.44Å; I449-I452 PolarHBondContact O-N 2.83Å; I452-E454 VanDerWaalsContact C-N 3.32Å; I452-E454 PolarHBondContact O-N 3.15Å; I452-E455 PolarHBondContact O-N 2.73Å; I452-L456 HydrophobicContact CG2-CD1 4.06Å; I452-L456 HydrophobicContact CG2-CG 4.43Å; I452-L456 WeakPolarHBondContact O-CB 3.29Å; I452-L456 WeakPolarHBondContact O-CG 3.24Å; I452-L456 PolarHBondContact O-N 3.48Å
453	K	98.4	Very high	94.8	Very high	17 Å²	17	78 Å²	78	7%	0.074	43%	0.428	C	S	.	.	H	α-helix	trans	-59.3	-44.6	175	175.9	171.9	171.9	169.8	0	111.2	I335 Q336 F338 K340 D362 I449 V451 L456 R457	I335-K453 PolarHBondContact O-NZ 3.34Å; Q336-K453 VanDerWaalsContact O-CE 3.29Å; Q336-K453 WeakPolarHBondContact O-CE 3.4Å; F338-K453 WeakPolarHBondContact O-CD 3.44Å; F338-K453 WeakPolarHBondContact O-CE 3.34Å; F338-K453 PolarHBondContact O-NZ 2.9Å; K340-K453 PolarHBondContact O-NZ 3.47Å; D362-K453 VanDerWaalsContact OD1-CD 3.31Å; D362-K453 WeakPolarHBondContact OD1-CD 3.4Å; D362-K453 WeakPolarHBondContact OD1-CE 3.23Å; D362-K453 IonicContact OD1-NZ 3.99Å; D362-K453 PolarHBondContact OD1-NZ 2.92Å; D362-K453 WeakPolarHBondContact OD2-CE 3.48Å; D362-K453 IonicContact OD2-NZ 3.82Å; D362-K453 PolarHBondContact OD2-NZ 3.4Å; I449-K453 VanDerWaalsContact O-CB 3.3Å; I449-K453 WeakPolarHBondContact O-CB 3.39Å; I449-K453 PolarHBondContact O-N 3.49Å; V451-K453 VanDerWaalsContact C-N 3.34Å; V451-K453 PolarHBondContact O-N 3.18Å; K453-L456 PolarHBondContact O-N 3.09Å; K453-R457 WeakPolarHBondContact O-CB 3.1Å; K453-R457 PolarHBondContact O-N 3.02Å
454	E	97	Very high	94	Very high	78 Å²	78	77 Å²	77	36%	0.364	43%	0.432	S	S	.	.	H	α-helix	trans	-66.2	-39.8	178.2	-177.9	61.4	-172.9	0	0	112.2	A450 V451 I452 R457 V458	A450-E454 PolarHBondContact O-N 2.99Å; A450-E454 VanDerWaalsContact O-N 3.11Å; V451-E454 PolarHBondContact O-N 3.19Å; I452-E454 VanDerWaalsContact C-N 3.32Å; I452-E454 PolarHBondContact O-N 3.15Å; E454-R457 WeakPolarHBondContact O-CB 3.49Å; E454-R457 PolarHBondContact O-N 3.2Å; E454-R457 IonicContact OE1-CZ 4Å; E454-R457 IonicContact OE1-NE 2.83Å; E454-R457 PolarHBondContact OE1-NE 3.13Å; E454-R457 IonicContact OE1-NH2 2.86Å; E454-R457 PolarHBondContact OE1-NH2 3.04Å; E454-R457 IonicContact OE2-CZ 3.32Å; E454-R457 IonicContact OE2-NE 2.69Å; E454-R457 PolarHBondContact OE2-NE 3.22Å; E454-R457 IonicContact OE2-NH2 2.87Å; E454-V458 WeakPolarHBondContact O-CG2 3.32Å; E454-V458 PolarHBondContact O-N 3.35Å
455	E	96.3	Very high	93.3	Very high	112 Å²	112	76.7 Å²	76.7	52%	0.523	43%	0.433	S	S	.	.	H	α-helix	trans	-61.2	-46.5	173.7	-72.6	174.5	151.4	0	0	111.6	V451 I452 R457 V458 L459	V451-E455 WeakPolarHBondContact O-CG 3.39Å; V451-E455 PolarHBondContact O-N 3.42Å; I452-E455 PolarHBondContact O-N 2.73Å; E455-R457 VanDerWaalsContact C-N 3.32Å; E455-R457 PolarHBondContact O-N 3.28Å; E455-V458 PolarHBondContact O-N 3.31Å; E455-L459 WeakPolarHBondContact O-CB 3.31Å; E455-L459 VanDerWaalsContact O-CG 3.31Å; E455-L459 WeakPolarHBondContact O-CG 3.22Å; E455-L459 PolarHBondContact O-N 2.81Å
456	L	97	Very high	92.3	Very high	114 Å²	114	78.5 Å²	78.5	60%	0.597	43%	0.434	S	S	*	.	H	α-helix	trans	-61.3	-40.1	175.7	-72.8	171.8	0	0	0	111.9	I452 K453 L459 G460	I452-L456 HydrophobicContact CG2-CD1 4.06Å; I452-L456 HydrophobicContact CG2-CG 4.43Å; I452-L456 WeakPolarHBondContact O-CB 3.29Å; I452-L456 WeakPolarHBondContact O-CG 3.24Å; I452-L456 PolarHBondContact O-N 3.48Å; K453-L456 PolarHBondContact O-N 3.09Å; L456-L459 PolarHBondContact O-N 3.2Å; L456-G460 PolarHBondContact O-N 2.97Å
457	R	96.6	Very high	91.5	Very high	32 Å²	32	80 Å²	80	12%	0.121	45%	0.446	C	S	.	.	H	α-helix	trans	-60.9	-48.7	175.3	-171.3	-165.9	69.4	68.2	7.2	111.2	Q336 K453 E454 E455 G460 E461	Q336-R457 HydrophobicContact CB-CG 4.2Å; Q336-R457 WeakPolarHBondContact O-CD 3.28Å; K453-R457 WeakPolarHBondContact O-CB 3.1Å; K453-R457 PolarHBondContact O-N 3.02Å; E454-R457 WeakPolarHBondContact O-CB 3.49Å; E454-R457 PolarHBondContact O-N 3.2Å; E454-R457 IonicContact OE1-CZ 4Å; E454-R457 IonicContact OE1-NE 2.83Å; E454-R457 PolarHBondContact OE1-NE 3.13Å; E454-R457 IonicContact OE1-NH2 2.86Å; E454-R457 PolarHBondContact OE1-NH2 3.04Å; E454-R457 IonicContact OE2-CZ 3.32Å; E454-R457 IonicContact OE2-NE 2.69Å; E454-R457 PolarHBondContact OE2-NE 3.22Å; E454-R457 IonicContact OE2-NH2 2.87Å; E455-R457 VanDerWaalsContact C-N 3.32Å; E455-R457 PolarHBondContact O-N 3.28Å; R457-G460 PolarHBondContact O-N 2.89Å; R457-E461 IonicContact CZ-OE2 2.82Å; R457-E461 IonicContact NH1-OE1 2.73Å; R457-E461 PolarHBondContact NH1-OE1 3.42Å; R457-E461 IonicContact NH1-OE2 3.23Å; R457-E461 PolarHBondContact NH1-OE2 3.01Å; R457-E461 PolarHBondContact O-N 3.36Å
458	V	92.4	Very high	90.9	Very high	75 Å²	75	78.3 Å²	78.3	46%	0.455	44%	0.438	S	S	.	.	H	α-helix	trans	-64.2	-42.6	179.6	172.4	0	0	0	0	111.3	E454 E455 E461 A462	E454-V458 WeakPolarHBondContact O-CG2 3.32Å; E454-V458 PolarHBondContact O-N 3.35Å; E455-V458 PolarHBondContact O-N 3.31Å; V458-E461 PolarHBondContact O-N 2.83Å; V458-A462 PolarHBondContact O-N 3.5Å; V458-A462 VanDerWaalsContact O-N 3.11Å
459	L	91.4	Very high	90.4	Very high	121 Å²	121	79.1 Å²	79.1	63%	0.634	43%	0.434	S	S	*	.	H	α-helix	trans	-62.1	-44	174.3	-73.3	170.9	0	0	0	111.6	E455 L456 E461 A462	E455-L459 WeakPolarHBondContact O-CB 3.31Å; E455-L459 VanDerWaalsContact O-CG 3.31Å; E455-L459 WeakPolarHBondContact O-CG 3.22Å; E455-L459 PolarHBondContact O-N 2.81Å; L456-L459 PolarHBondContact O-N 3.2Å; L459-E461 VanDerWaalsContact C-N 3.26Å; L459-E461 PolarHBondContact O-N 3.45Å; L459-A462 WeakPolarHBondContact O-CB 3.28Å; L459-A462 PolarHBondContact O-N 3.41Å; L459-A462 VanDerWaalsContact O-N 3.17Å
460	G	90.8	Very high	89.8	Confident	17 Å²	17	81.6 Å²	81.6	18%	0.175	44%	0.444	C	S	.	.	H	α-helix	trans	-60.7	-35.2	175.7	0	0	0	0	0	112.4	H389 L456 R457 H463	H389-G460 PolarHBondContact CE1-O 2.85Å; H389-G460 PolarHBondContact NE2-O 3.16Å; L456-G460 PolarHBondContact O-N 2.97Å; R457-G460 PolarHBondContact O-N 2.89Å; G460-H463 PolarHBondContact O-ND1 2.65Å
461	E	87.4	Confident	89.3	Confident	82 Å²	82	87.2 Å²	87.2	38%	0.383	47%	0.465	S	S	.	.	H	α-helix	trans	-83	-6.5	177.1	-76.4	-178.9	-167.8	0	0	114.8	R457 V458 L459 H463	R457-E461 IonicContact CZ-OE2 2.82Å; R457-E461 IonicContact NH1-OE1 2.73Å; R457-E461 PolarHBondContact NH1-OE1 3.42Å; R457-E461 IonicContact NH1-OE2 3.23Å; R457-E461 PolarHBondContact NH1-OE2 3.01Å; R457-E461 PolarHBondContact O-N 3.36Å; V458-E461 PolarHBondContact O-N 2.83Å; L459-E461 VanDerWaalsContact C-N 3.26Å; L459-E461 PolarHBondContact O-N 3.45Å; E461-H463 PolarHBondContact O-N 2.91Å
462	A	88.4	Confident	89.1	Confident	67 Å²	67	89 Å²	89	55%	0.554	46%	0.464	S	S	*	.			trans	-72.7	27.9	-174	0	0	0	0	0	115	V458 L459	V458-A462 PolarHBondContact O-N 3.5Å; V458-A462 VanDerWaalsContact O-N 3.11Å; L459-A462 WeakPolarHBondContact O-CB 3.28Å; L459-A462 PolarHBondContact O-N 3.41Å; L459-A462 VanDerWaalsContact O-N 3.17Å
463	H	83.8	Confident	88.9	Confident	134 Å²	134	86.7 Å²	86.7	62%	0.62	45%	0.452	S	S	*	.			trans	-99.6	87.8	174.2	-64.5	94.6	0	0	0	109.4	H389 G460 E461	H389-H463 AromaticContact CE1-ND1 3.51Å; H389-H463 AromaticContact NE2-CE1 3.71Å; H389-H463 AromaticContact NE2-CG 3.69Å; H389-H463 AromaticContact NE2-ND1 3Å; H389-H463 PolarHBondContact NE2-ND1 3.48Å; G460-H463 PolarHBondContact O-ND1 2.65Å; E461-H463 PolarHBondContact O-N 2.91Å
464	T	81.2	Confident	88.6	Confident	130 Å²	130	89.6 Å²	89.6	80%	0.798	47%	0.466	S	S	*	.			trans	-94.6	148.9	-175.5	63.6	0	0	0	0	112.4
465	M	83.2	Confident	88.4	Confident	87 Å²	87	87.9 Å²	87.9	43%	0.429	47%	0.469	S	S	.	.			trans	-134.8	159	173.4	-65.5	-176.5	-68.8	0	0	109.1	L385 E469 F470	L385-M465 HydrophobicContact CD1-CE 3.74Å; L385-M465 HydrophobicContact CD2-CE 4.27Å; M465-E469 HydrophobicContact CB-CB 4.32Å; M465-F470 HydrophobicContact CB-CD2 4.19Å; M465-F470 HydrophobicContact CB-CE2 3.85Å; M465-F470 HydrophobicContact CB-CZ 4.34Å; M465-F470 HydrophobicContact CE-CD1 4.37Å; M465-F470 HydrophobicContact CE-CE1 3.9Å; M465-F470 HydrophobicContact CE-CZ 3.97Å; M465-F470 WeakPolarHBondContact O-CE2 3.46Å
466	N	75.8	Confident	88.4	Confident	98 Å²	98	87.7 Å²	87.7	52%	0.524	47%	0.469	S	S	.	.			trans	-75.5	166.2	176.2	68.2	39.9	0	0	0	111.3	D468 E469 F470	N466-D468 VanDerWaalsContact C-N 3.29Å; N466-D468 PolarHBondContact O-N 3.11Å; N466-D468 WeakPolarHBondContact OD1-CB 3.46Å; N466-D468 PolarHBondContact OD1-N 3.48Å; N466-D468 VanDerWaalsContact OD1-N 3.14Å; N466-E469 PolarHBondContact O-N 3.21Å; N466-E469 PolarHBondContact OD1-N 3.46Å; N466-F470 WeakPolarHBondContact O-CD2 3.32Å; N466-F470 PolarHBondContact O-N 3.01Å
467	S	79.2	Confident	88.3	Confident	89 Å²	89	83 Å²	83	62%	0.622	44%	0.444	S	S	*	.	H	α-helix	trans	-61.1	-35.5	-178.4	-51	0	0	0	0	113.4	F470 E471	S467-F470 PolarHBondContact O-N 2.83Å; S467-E471 WeakPolarHBondContact O-CG 3.34Å; S467-E471 PolarHBondContact O-N 3.28Å
468	D	82.7	Confident	88.2	Confident	112 Å²	112	88.5 Å²	88.5	60%	0.599	46%	0.464	S	S	*	.	H	α-helix	trans	-63.1	-44.4	-179.2	-171.3	-96.6	0	0	0	111.5	N466 F470 E471 R472	N466-D468 VanDerWaalsContact C-N 3.29Å; N466-D468 PolarHBondContact O-N 3.11Å; N466-D468 WeakPolarHBondContact OD1-CB 3.46Å; N466-D468 PolarHBondContact OD1-N 3.48Å; N466-D468 VanDerWaalsContact OD1-N 3.14Å; D468-F470 PolarHBondContact O-N 3.41Å; D468-E471 PolarHBondContact O-N 3.01Å; D468-R472 VanDerWaalsContact O-CB 3.28Å; D468-R472 WeakPolarHBondContact O-CB 3.3Å; D468-R472 PolarHBondContact O-N 3.42Å
469	E	87.3	Confident	88.3	Confident	63 Å²	63	88 Å²	88	29%	0.294	47%	0.468	S	S	.	.	H	α-helix	trans	-65.7	-38.3	175.8	-75.5	-60.1	138.1	0	0	112.5	M465 N466 R472 I473	M465-E469 HydrophobicContact CB-CB 4.32Å; N466-E469 PolarHBondContact O-N 3.21Å; N466-E469 PolarHBondContact OD1-N 3.46Å; E469-R472 PolarHBondContact O-N 3.13Å; E469-R472 IonicContact OE1-NE 3.57Å; E469-R472 IonicContact OE2-CZ 3.55Å; E469-R472 VanDerWaalsContact OE2-CZ 3.27Å; E469-R472 IonicContact OE2-NE 3.28Å; E469-R472 PolarHBondContact OE2-NE 3.34Å; E469-R472 IonicContact OE2-NH2 3.5Å; E469-R472 PolarHBondContact OE2-NH2 2.89Å; E469-I473 WeakPolarHBondContact O-CG1 3.37Å; E469-I473 PolarHBondContact O-N 3.03Å
470	F	85.1	Confident	88.5	Confident	94 Å²	94	85 Å²	85	41%	0.412	46%	0.455	S	S	.	.	H	α-helix	trans	-63.4	-46.4	174.1	-84.5	-68	0	0	0	111.7	L385 M465 N466 S467 D468 I473 Q474	L385-F470 HydrophobicContact CD1-CD1 3.64Å; L385-F470 HydrophobicContact CD1-CE1 3.64Å; M465-F470 HydrophobicContact CB-CD2 4.19Å; M465-F470 HydrophobicContact CB-CE2 3.85Å; M465-F470 HydrophobicContact CB-CZ 4.34Å; M465-F470 HydrophobicContact CE-CD1 4.37Å; M465-F470 HydrophobicContact CE-CE1 3.9Å; M465-F470 HydrophobicContact CE-CZ 3.97Å; M465-F470 WeakPolarHBondContact O-CE2 3.46Å; N466-F470 WeakPolarHBondContact O-CD2 3.32Å; N466-F470 PolarHBondContact O-N 3.01Å; S467-F470 PolarHBondContact O-N 2.83Å; D468-F470 PolarHBondContact O-N 3.41Å; F470-I473 PolarHBondContact O-N 3.21Å; F470-Q474 VanDerWaalsContact O-CB 3.3Å; F470-Q474 WeakPolarHBondContact O-CB 3.5Å; F470-Q474 PolarHBondContact O-N 3.46Å
471	E	86.5	Confident	88.6	Confident	142 Å²	142	85.1 Å²	85.1	66%	0.664	45%	0.45	S	S	*	.	H	α-helix	trans	-64.2	-40.1	177.2	-74.5	-177.3	-158.9	0	0	111.8	S467 D468 Q474 G475	S467-E471 WeakPolarHBondContact O-CG 3.34Å; S467-E471 PolarHBondContact O-N 3.28Å; D468-E471 PolarHBondContact O-N 3.01Å; E471-Q474 PolarHBondContact O-N 3.35Å; E471-G475 PolarHBondContact O-N 3.34Å
472	R	93	Very high	88.9	Confident	117 Å²	117	84.9 Å²	84.9	44%	0.442	45%	0.451	S	S	.	.	H	α-helix	trans	-59	-50.9	175.6	-170.8	-176.4	70.1	72	0.8	111.6	D468 E469 Q474 G475 M476	D468-R472 VanDerWaalsContact O-CB 3.28Å; D468-R472 WeakPolarHBondContact O-CB 3.3Å; D468-R472 PolarHBondContact O-N 3.42Å; E469-R472 PolarHBondContact O-N 3.13Å; E469-R472 IonicContact OE1-NE 3.57Å; E469-R472 IonicContact OE2-CZ 3.55Å; E469-R472 VanDerWaalsContact OE2-CZ 3.27Å; E469-R472 IonicContact OE2-NE 3.28Å; E469-R472 PolarHBondContact OE2-NE 3.34Å; E469-R472 IonicContact OE2-NH2 3.5Å; E469-R472 PolarHBondContact OE2-NH2 2.89Å; R472-Q474 VanDerWaalsContact C-N 3.35Å; R472-G475 PolarHBondContact O-N 3.18Å; R472-M476 WeakPolarHBondContact O-CG 3.39Å; R472-M476 PolarHBondContact O-N 3.05Å; R472-M476 VanDerWaalsContact O-N 3.12Å
473	I	94.2	Very high	89.2	Confident	40 Å²	40	82.1 Å²	82.1	21%	0.205	43%	0.428	C	S	.	.	H	α-helix	trans	-64.8	-40.2	177.2	-64.7	-62.4	0	0	0	110.8	L385 E469 F470 G475 M476 R477	L385-I473 HydrophobicContact CD1-CB 4.34Å; L385-I473 HydrophobicContact CD1-CG2 3.99Å; L385-I473 HydrophobicContact CD2-CG2 4.24Å; L385-I473 HydrophobicContact CG-CG2 4Å; E469-I473 WeakPolarHBondContact O-CG1 3.37Å; E469-I473 PolarHBondContact O-N 3.03Å; F470-I473 PolarHBondContact O-N 3.21Å; I473-G475 VanDerWaalsContact C-N 3.33Å; I473-G475 PolarHBondContact O-N 2.92Å; I473-M476 HydrophobicContact CD1-SD 4.38Å; I473-M476 WeakPolarHBondContact O-CB 3.31Å; I473-M476 PolarHBondContact O-N 3.35Å; I473-R477 HydrophobicContact CG2-CG 4.36Å; I473-R477 WeakPolarHBondContact O-CG 3.21Å; I473-R477 PolarHBondContact O-N 3.22Å
474	Q	90.2	Very high	89.8	Confident	78 Å²	78	81.7 Å²	81.7	36%	0.364	43%	0.426	S	S	.	.	H	α-helix	trans	-65	-36.9	178.3	-172.8	61.9	1.2	0	0	112.5	D320 F470 E471 R472 R477 R478	D320-Q474 PolarHBondContact OD2-NE2 3.4Å; F470-Q474 VanDerWaalsContact O-CB 3.3Å; F470-Q474 WeakPolarHBondContact O-CB 3.5Å; F470-Q474 PolarHBondContact O-N 3.46Å; E471-Q474 PolarHBondContact O-N 3.35Å; R472-Q474 VanDerWaalsContact C-N 3.35Å; Q474-R477 PolarHBondContact O-N 3Å; Q474-R478 PolarHBondContact O-N 2.96Å
475	G	93.4	Very high	90.5	Very high	42 Å²	42	76.7 Å²	76.7	43%	0.433	40%	0.395	S	S	.	.	H	α-helix	trans	-61.3	-42.9	171.5	0	0	0	0	0	112.4	E471 R472 I473 R478 A479	E471-G475 PolarHBondContact O-N 3.34Å; R472-G475 PolarHBondContact O-N 3.18Å; I473-G475 VanDerWaalsContact C-N 3.33Å; I473-G475 PolarHBondContact O-N 2.92Å; G475-R478 WeakPolarHBondContact O-CB 3.42Å; G475-R478 PolarHBondContact O-N 3.44Å; G475-A479 PolarHBondContact O-N 2.93Å
476	M	96.7	Very high	91	Very high	107 Å²	107	72.5 Å²	72.5	53%	0.527	37%	0.374	S	S	.	.	H	α-helix	trans	-64.2	-43.6	174.3	-67.2	178.6	68.4	0	0	112.2	R472 I473 R478 A479 V480	R472-M476 WeakPolarHBondContact O-CG 3.39Å; R472-M476 PolarHBondContact O-N 3.05Å; R472-M476 VanDerWaalsContact O-N 3.12Å; I473-M476 HydrophobicContact CD1-SD 4.38Å; I473-M476 WeakPolarHBondContact O-CB 3.31Å; I473-M476 PolarHBondContact O-N 3.35Å; M476-R478 PolarHBondContact O-N 3.31Å; M476-A479 PolarHBondContact O-N 3.47Å; M476-V480 WeakPolarHBondContact O-CG2 3.4Å; M476-V480 PolarHBondContact O-N 2.89Å; M476-V480 VanDerWaalsContact O-N 3.13Å
477	R	95.4	Very high	91.8	Very high	16 Å²	16	70.9 Å²	70.9	6%	0.06	36%	0.363	C	S	.	.	H	α-helix	trans	-59.1	-39.6	176	-70.3	-177.6	66.4	-114	-10.6	111.3	D320 P382 I473 Q474 V480 Y481	D320-R477 IonicContact OD1-CZ 3.21Å; D320-R477 IonicContact OD1-NH1 3.29Å; D320-R477 PolarHBondContact OD1-NH1 2.77Å; D320-R477 IonicContact OD1-NH2 3.61Å; D320-R477 PolarHBondContact OD1-NH2 2.92Å; D320-R477 IonicContact OD2-CZ 2.77Å; D320-R477 IonicContact OD2-NH1 3.93Å; D320-R477 PolarHBondContact OD2-NH1 3.41Å; D320-R477 IonicContact OD2-NH2 2.92Å; P382-R477 HydrophobicContact CB-CB 4.16Å; P382-R477 HydrophobicContact CB-CG 4.23Å; P382-R477 WeakPolarHBondContact CG-O 3.38Å; P382-R477 PolarHBondContact O-NE 3.08Å; P382-R477 PolarHBondContact O-NH2 3.29Å; P382-R477 VanDerWaalsContact O-NH2 3.12Å; I473-R477 HydrophobicContact CG2-CG 4.36Å; I473-R477 WeakPolarHBondContact O-CG 3.21Å; I473-R477 PolarHBondContact O-N 3.22Å; Q474-R477 PolarHBondContact O-N 3Å; R477-V480 PolarHBondContact O-N 3.4Å; R477-Y481 WeakPolarHBondContact O-CD1 3.42Å; R477-Y481 PolarHBondContact O-N 2.87Å
478	R	93.3	Very high	92.6	Very high	148 Å²	148	68.5 Å²	68.5	56%	0.558	34%	0.342	S	S	*	.	H	α-helix	trans	-60.6	-49.2	173.9	178.4	168.2	-176.9	-175.6	2.3	113.2	Q474 G475 M476 V480 Y481 D482	Q474-R478 PolarHBondContact O-N 2.96Å; G475-R478 WeakPolarHBondContact O-CB 3.42Å; G475-R478 PolarHBondContact O-N 3.44Å; M476-R478 PolarHBondContact O-N 3.31Å; R478-V480 PolarHBondContact O-N 2.91Å; R478-Y481 HydrophobicContact CB-CE1 3.92Å; R478-Y481 HydrophobicContact CB-CE2 4.09Å; R478-Y481 WeakPolarHBondContact CB-OH 3.3Å; R478-Y481 HydrophobicContact CG-CE1 4.43Å; R478-Y481 HydrophobicContact CG-CE2 3.7Å; R478-Y481 VanDerWaalsContact CG-OH 3.28Å; R478-Y481 WeakPolarHBondContact CG-OH 3.03Å; R478-Y481 PolarHBondContact O-N 3.32Å; R478-D482 WeakPolarHBondContact CG-OD2 3.34Å; R478-D482 IonicContact NE-OD2 3.97Å; R478-D482 WeakPolarHBondContact O-CB 3.22Å; R478-D482 PolarHBondContact O-N 3.03Å
479	A	95.1	Very high	93.1	Very high	64 Å²	64	63.2 Å²	63.2	53%	0.529	31%	0.314	S	S	.	.	H	α-helix	trans	-55.1	-37.8	176.1	0	0	0	0	0	112.1	G475 M476 S483	G475-A479 PolarHBondContact O-N 2.93Å; M476-A479 PolarHBondContact O-N 3.47Å; A479-S483 PolarHBondContact O-N 3.12Å
480	V	95.2	Very high	93.2	Very high	59 Å²	59	61 Å²	61	36%	0.358	30%	0.304	S	S	.	.	H	α-helix	trans	-73.3	-45	178.5	178.3	0	0	0	0	112.5	G380 P382 M476 R477 R478 D482 S483 Y486	G380-V480 WeakPolarHBondContact O-CG1 3.45Å; P382-V480 HydrophobicContact CB-CB 3.8Å; P382-V480 HydrophobicContact CB-CG1 3.75Å; P382-V480 HydrophobicContact CG-CB 3.98Å; P382-V480 HydrophobicContact CG-CG1 3.86Å; M476-V480 WeakPolarHBondContact O-CG2 3.4Å; M476-V480 PolarHBondContact O-N 2.89Å; M476-V480 VanDerWaalsContact O-N 3.13Å; R477-V480 PolarHBondContact O-N 3.4Å; R478-V480 PolarHBondContact O-N 2.91Å; V480-D482 PolarHBondContact O-N 3.19Å; V480-S483 WeakPolarHBondContact O-CB 3.42Å; V480-S483 PolarHBondContact O-N 3.21Å; V480-S483 VanDerWaalsContact O-N 3.07Å; V480-S483 PolarHBondContact O-OG 2.82Å; V480-Y486 VanDerWaalsContact O-CB 3.3Å; V480-Y486 WeakPolarHBondContact O-CB 3.44Å
481	Y	93.5	Very high	93.4	Very high	18 Å²	18	59.6 Å²	59.6	7%	0.071	30%	0.301	C	S	.	.	H	α-helix	trans	-74	-11.4	178.9	64	-120.2	0	0	0	113.5	D320 P382 R477 R478 Y486	D320-Y481 HydrophobicContact CB-CE1 4.07Å; P382-Y481 HydrophobicContact CG-CD1 4.19Å; R477-Y481 WeakPolarHBondContact O-CD1 3.42Å; R477-Y481 PolarHBondContact O-N 2.87Å; R478-Y481 HydrophobicContact CB-CE1 3.92Å; R478-Y481 HydrophobicContact CB-CE2 4.09Å; R478-Y481 WeakPolarHBondContact CB-OH 3.3Å; R478-Y481 HydrophobicContact CG-CE1 4.43Å; R478-Y481 HydrophobicContact CG-CE2 3.7Å; R478-Y481 VanDerWaalsContact CG-OH 3.28Å; R478-Y481 WeakPolarHBondContact CG-OH 3.03Å; R478-Y481 PolarHBondContact O-N 3.32Å; Y481-Y486 WeakPolarHBondContact O-CD1 3.49Å
482	D	93.4	Very high	93.7	Very high	77 Å²	77	52.9 Å²	52.9	41%	0.412	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.1	3.1	170.1	-68.8	-23.6	0	0	0	112.5	G318 R478 V480	G318-D482 VanDerWaalsContact CA-OD1 3.31Å; G318-D482 WeakPolarHBondContact CA-OD1 3.35Å; G318-D482 PolarHBondContact N-OD1 3.07Å; R478-D482 WeakPolarHBondContact CG-OD2 3.34Å; R478-D482 IonicContact NE-OD2 3.97Å; R478-D482 WeakPolarHBondContact O-CB 3.22Å; R478-D482 PolarHBondContact O-N 3.03Å; V480-D482 PolarHBondContact O-N 3.19Å
483	S	95.3	Very high	93.4	Very high	10 Å²	10	52.7 Å²	52.7	7%	0.07	27%	0.272	C	S	.	.	S	Bend	trans	-79.9	159.2	-174.7	70.4	0	0	0	0	114.1	A479 V480 D485 Y486 H504	A479-S483 PolarHBondContact O-N 3.12Å; V480-S483 WeakPolarHBondContact O-CB 3.42Å; V480-S483 PolarHBondContact O-N 3.21Å; V480-S483 VanDerWaalsContact O-N 3.07Å; V480-S483 PolarHBondContact O-OG 2.82Å; S483-D485 VanDerWaalsContact C-N 3.29Å; S483-Y486 PolarHBondContact O-N 2.95Å; S483-Y486 WeakPolarHBondContact OG-CB 3.34Å; S483-Y486 PolarHBondContact OG-N 3.28Å; S483-H504 WeakPolarHBondContact CB-O 3.35Å; S483-H504 VanDerWaalsContact CB-OXT 3.22Å; S483-H504 WeakPolarHBondContact CB-OXT 3.45Å
484	E	95.3	Very high	93	Very high	125 Å²	125	54.7 Å²	54.7	58%	0.584	28%	0.283	S	S	*	.	H	α-helix	trans	-65.8	-37.3	171.3	-67.3	-169.9	-167.6	0	0	110.5	Y486 Q487 E488 H504	E484-Y486 VanDerWaalsContact C-N 3.32Å; E484-Y486 PolarHBondContact O-N 3.45Å; E484-Q487 PolarHBondContact O-N 3.45Å; E484-E488 WeakPolarHBondContact O-CB 3.2Å; E484-E488 PolarHBondContact O-N 3.47Å; E484-H504 WeakPolarHBondContact CB-O 3.47Å; E484-H504 PolarHBondContact N-O 2.73Å; E484-H504 IonicContact OE1-CD2 2.83Å; E484-H504 IonicContact OE1-NE2 2.83Å; E484-H504 IonicContact OE2-CD2 3.38Å; E484-H504 IonicContact OE2-NE2 3.7Å; E484-H504 PolarHBondContact OE2-NE2 3.38Å
485	D	96.4	Very high	93	Very high	24 Å²	24	56.8 Å²	56.8	13%	0.128	29%	0.293	C	S	.	.	H	α-helix	trans	-61.6	-36.3	178.3	-83.7	-2.7	0	0	0	113.3	S483 G489 F501 V502 G503 H504	S483-D485 VanDerWaalsContact C-N 3.29Å; D485-G489 PolarHBondContact O-N 3.5Å; D485-F501 HydrophobicContact CB-CD1 3.88Å; D485-F501 WeakPolarHBondContact O-CE1 3.46Å; D485-F501 VanDerWaalsContact OD1-CA 3.24Å; D485-F501 WeakPolarHBondContact OD1-CA 3.31Å; D485-V502 VanDerWaalsContact OD1-CG2 3.31Å; D485-V502 WeakPolarHBondContact OD1-CG2 3.36Å; D485-V502 PolarHBondContact OD1-N 3.14Å; D485-V502 PolarHBondContact OD2-N 3.35Å; D485-G503 PolarHBondContact OD1-N 2.88Å; D485-G503 VanDerWaalsContact OD2-CA 3.29Å; D485-G503 WeakPolarHBondContact OD2-CA 3.45Å; D485-G503 PolarHBondContact OD2-N 3.4Å; D485-H504 PolarHBondContact N-O 2.82Å
486	Y	94.4	Very high	92.8	Very high	0 Å²	0	64.1 Å²	64.1	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-66.6	-44.2	176.1	178.9	-118	0	0	0	111.5	P315 G380 V381 V480 Y481 S483 E484 G489 M490	P315-Y486 PolarHBondContact O-OH 2.88Å; G380-Y486 WeakPolarHBondContact O-CD2 3.36Å; V381-Y486 HydrophobicContact CG2-CE2 3.99Å; V480-Y486 VanDerWaalsContact O-CB 3.3Å; V480-Y486 WeakPolarHBondContact O-CB 3.44Å; Y481-Y486 WeakPolarHBondContact O-CD1 3.49Å; S483-Y486 PolarHBondContact O-N 2.95Å; S483-Y486 WeakPolarHBondContact OG-CB 3.34Å; S483-Y486 PolarHBondContact OG-N 3.28Å; E484-Y486 VanDerWaalsContact C-N 3.32Å; E484-Y486 PolarHBondContact O-N 3.45Å; Y486-G489 PolarHBondContact O-N 3.18Å; Y486-M490 HydrophobicContact CE2-CG 4.25Å; Y486-M490 HydrophobicContact CE2-SD 4.29Å; Y486-M490 VanDerWaalsContact O-CG 3.3Å; Y486-M490 WeakPolarHBondContact O-CG 3.07Å; Y486-M490 PolarHBondContact O-N 2.89Å; Y486-M490 VanDerWaalsContact O-N 3.13Å
487	Q	92.8	Very high	92.7	Very high	64 Å²	64	63.6 Å²	63.6	30%	0.299	31%	0.305	S	S	.	.	H	α-helix	trans	-64.5	-44.2	175.7	-63.2	-57.8	-46.3	0	0	111.4	E484 G489 M490 N491	E484-Q487 PolarHBondContact O-N 3.45Å; Q487-G489 PolarHBondContact O-N 3.01Å; Q487-M490 PolarHBondContact O-N 2.83Å; Q487-N491 WeakPolarHBondContact O-CB 3.44Å; Q487-N491 PolarHBondContact O-N 3.29Å; Q487-N491 PolarHBondContact O-ND2 3.3Å
488	E	94.7	Very high	92.5	Very high	38 Å²	38	71.8 Å²	71.8	18%	0.178	34%	0.341	C	S	.	.	H	α-helix	trans	-60.4	-42.6	176.1	168.7	58.3	-171.7	0	0	112.1	E484 M490 N491 A492 R497 P499 N500	E484-E488 WeakPolarHBondContact O-CB 3.2Å; E484-E488 PolarHBondContact O-N 3.47Å; E488-M490 PolarHBondContact O-N 2.99Å; E488-N491 PolarHBondContact O-N 3.33Å; E488-A492 WeakPolarHBondContact O-CB 3.17Å; E488-A492 PolarHBondContact O-N 2.93Å; E488-R497 IonicContact OE1-CZ 3.56Å; E488-R497 IonicContact OE1-NH1 3.52Å; E488-R497 PolarHBondContact OE1-NH1 2.83Å; E488-R497 IonicContact OE1-NH2 2.84Å; E488-R497 PolarHBondContact OE1-NH2 2.73Å; E488-R497 IonicContact OE2-CZ 3.36Å; E488-R497 IonicContact OE2-NH1 3.54Å; E488-R497 PolarHBondContact OE2-NH1 2.94Å; E488-R497 IonicContact OE2-NH2 3.6Å; E488-R497 PolarHBondContact OE2-NH2 3.07Å; E488-P499 HydrophobicContact CG-CB 4.32Å; E488-P499 WeakPolarHBondContact OE1-CA 3.4Å; E488-N500 PolarHBondContact OE1-N 3.43Å
489	G	93.1	Very high	92.5	Very high	1 Å²	1	66.5 Å²	66.5	1%	0.01	33%	0.326	C	S	.	.	H	α-helix	trans	-60.3	-45.1	176.4	0	0	0	0	0	112.7	L379 D485 Y486 Q487 F493	L379-G489 WeakPolarHBondContact CD2-O 3.48Å; D485-G489 PolarHBondContact O-N 3.5Å; Y486-G489 PolarHBondContact O-N 3.18Å; Q487-G489 PolarHBondContact O-N 3.01Å; G489-F493 PolarHBondContact O-N 3Å
490	M	89.3	Confident	92.7	Very high	17 Å²	17	68.9 Å²	68.9	8%	0.084	33%	0.33	C	S	.	.	H	α-helix	trans	-64.3	-50.4	175.3	-62	-74.8	77.6	0	0	111.7	I311 L314 L379 Y486 Q487 E488 A492 F493 L494	I311-M490 HydrophobicContact CG1-CE 4.43Å; I311-M490 HydrophobicContact CG2-CE 3.63Å; I311-M490 HydrophobicContact CG2-SD 3.86Å; L314-M490 HydrophobicContact CB-SD 3.93Å; L314-M490 HydrophobicContact CD1-CE 3.75Å; L314-M490 HydrophobicContact CD1-SD 3.55Å; L314-M490 VanDerWaalsContact CD1-SD 3.55Å; L314-M490 HydrophobicContact CG-SD 4.4Å; L379-M490 HydrophobicContact CB-CE 3.73Å; L379-M490 HydrophobicContact CD1-CE 3.85Å; L379-M490 HydrophobicContact CD2-CE 3.65Å; L379-M490 HydrophobicContact CG-CE 3.93Å; Y486-M490 HydrophobicContact CE2-CG 4.25Å; Y486-M490 HydrophobicContact CE2-SD 4.29Å; Y486-M490 VanDerWaalsContact O-CG 3.3Å; Y486-M490 WeakPolarHBondContact O-CG 3.07Å; Y486-M490 PolarHBondContact O-N 2.89Å; Y486-M490 VanDerWaalsContact O-N 3.13Å; Q487-M490 PolarHBondContact O-N 2.83Å; E488-M490 PolarHBondContact O-N 2.99Å; M490-A492 PolarHBondContact O-N 2.94Å; M490-F493 PolarHBondContact O-N 2.92Å; M490-L494 WeakPolarHBondContact O-CG 3.49Å; M490-L494 PolarHBondContact O-N 3.05Å
491	N	91	Very high	92.8	Very high	65 Å²	65	70 Å²	70	35%	0.348	33%	0.33	S	S	.	.	H	α-helix	trans	-60.7	-46.4	-179.4	-68.9	-24.5	0	0	0	111.4	Q487 E488 F493 L494 E495	Q487-N491 WeakPolarHBondContact O-CB 3.44Å; Q487-N491 PolarHBondContact O-N 3.29Å; Q487-N491 PolarHBondContact O-ND2 3.3Å; E488-N491 PolarHBondContact O-N 3.33Å; N491-F493 VanDerWaalsContact C-N 3.29Å; N491-F493 PolarHBondContact O-N 3.47Å; N491-L494 PolarHBondContact O-N 2.83Å; N491-E495 VanDerWaalsContact O-CB 3.24Å; N491-E495 WeakPolarHBondContact O-CB 3.35Å; N491-E495 VanDerWaalsContact O-CG 3.26Å; N491-E495 WeakPolarHBondContact O-CG 3.24Å; N491-E495 PolarHBondContact O-N 3.11Å
492	A	91.2	Very high	92.9	Very high	1 Å²	1	72.7 Å²	72.7	1%	0.008	35%	0.348	C	S	.	.	H	α-helix	trans	-60.6	-39	179.5	0	0	0	0	0	112.1	E488 M490 K496 R497 P499	E488-A492 WeakPolarHBondContact O-CB 3.17Å; E488-A492 PolarHBondContact O-N 2.93Å; M490-A492 PolarHBondContact O-N 2.94Å; A492-K496 WeakPolarHBondContact O-CA 3.46Å; A492-K496 PolarHBondContact O-N 3.2Å; A492-R497 HydrophobicContact CB-CG 4.05Å; A492-R497 PolarHBondContact O-N 2.94Å; A492-R497 VanDerWaalsContact O-O 3.1Å; A492-P499 HydrophobicContact CB-CB 3.65Å; A492-P499 HydrophobicContact CB-CG 4.39Å
493	F	88.4	Confident	93	Very high	112 Å²	112	72.2 Å²	72.2	49%	0.491	36%	0.362	S	S	.	.	H	α-helix	trans	-66.4	-48.5	176	-172.5	-84.2	0	0	0	112	I311 L379 G489 M490 N491 E495 K496	I311-F493 HydrophobicContact CB-CD1 4.27Å; I311-F493 HydrophobicContact CB-CE1 4.39Å; I311-F493 HydrophobicContact CD1-CD1 3.35Å; I311-F493 HydrophobicContact CD1-CD2 3.72Å; I311-F493 HydrophobicContact CD1-CE1 3.21Å; I311-F493 HydrophobicContact CD1-CE2 3.56Å; I311-F493 HydrophobicContact CD1-CG 3.62Å; I311-F493 HydrophobicContact CD1-CZ 3.31Å; I311-F493 HydrophobicContact CG1-CD1 4.39Å; I311-F493 HydrophobicContact CG1-CE1 4.36Å; I311-F493 HydrophobicContact CG2-CD1 4.06Å; L379-F493 HydrophobicContact CD2-CB 3.61Å; L379-F493 HydrophobicContact CD2-CD2 3.84Å; L379-F493 HydrophobicContact CD2-CG 3.93Å; G489-F493 PolarHBondContact O-N 3Å; M490-F493 PolarHBondContact O-N 2.92Å; N491-F493 VanDerWaalsContact C-N 3.29Å; N491-F493 PolarHBondContact O-N 3.47Å; F493-E495 VanDerWaalsContact C-N 3.3Å; F493-E495 PolarHBondContact O-N 3.17Å; F493-K496 PolarHBondContact O-N 3.37Å
494	L	84.6	Confident	92.9	Very high	83 Å²	83	77.9 Å²	77.9	44%	0.435	39%	0.386	S	S	.	.	H	α-helix	trans	-61.5	-39.3	178.7	-66.6	173.8	0	0	0	111.7	I311 H312 M490 N491 K496	I311-L494 HydrophobicContact CG2-CD2 4.47Å; H312-L494 WeakPolarHBondContact CE1-CD2 3.39Å; M490-L494 WeakPolarHBondContact O-CG 3.49Å; M490-L494 PolarHBondContact O-N 3.05Å; N491-L494 PolarHBondContact O-N 2.83Å; L494-K496 VanDerWaalsContact C-N 3.27Å; L494-K496 PolarHBondContact O-N 2.79Å
495	E	91	Very high	92.7	Very high	121 Å²	121	75.5 Å²	75.5	57%	0.565	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.4	-1.2	177.4	-66.4	171.6	-169.7	0	0	113.4	N491 F493 R497	N491-E495 VanDerWaalsContact O-CB 3.24Å; N491-E495 WeakPolarHBondContact O-CB 3.35Å; N491-E495 VanDerWaalsContact O-CG 3.26Å; N491-E495 WeakPolarHBondContact O-CG 3.24Å; N491-E495 PolarHBondContact O-N 3.11Å; F493-E495 VanDerWaalsContact C-N 3.3Å; F493-E495 PolarHBondContact O-N 3.17Å; E495-R497 VanDerWaalsContact C-N 3.25Å; E495-R497 HydrophobicContact CB-CG 4.08Å; E495-R497 PolarHBondContact O-N 3.25Å; E495-R497 WeakPolarHBondContact OE2-CD 3.48Å; E495-R497 IonicContact OE2-CZ 3.7Å; E495-R497 IonicContact OE2-NE 3.79Å; E495-R497 PolarHBondContact OE2-NE 3.3Å; E495-R497 IonicContact OE2-NH2 2.7Å
496	K	87.9	Confident	92.5	Very high	197 Å²	197	78.2 Å²	78.2	86%	0.857	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.9	40.6	-178.2	-59.5	-177.9	179.8	179.5	0	113.5	A492 F493 L494	A492-K496 WeakPolarHBondContact O-CA 3.46Å; A492-K496 PolarHBondContact O-N 3.2Å; F493-K496 PolarHBondContact O-N 3.37Å; L494-K496 VanDerWaalsContact C-N 3.27Å; L494-K496 PolarHBondContact O-N 2.79Å
497	R	95.1	Very high	92.4	Very high	96 Å²	96	82.6 Å²	82.6	36%	0.362	41%	0.411	S	S	.	.	S	Bend	trans	-117.2	165.4	175.3	65	174.1	179	78.6	1.4	111.1	E488 A492 E495	E488-R497 IonicContact OE1-CZ 3.56Å; E488-R497 IonicContact OE1-NH1 3.52Å; E488-R497 PolarHBondContact OE1-NH1 2.83Å; E488-R497 IonicContact OE1-NH2 2.84Å; E488-R497 PolarHBondContact OE1-NH2 2.73Å; E488-R497 IonicContact OE2-CZ 3.36Å; E488-R497 IonicContact OE2-NH1 3.54Å; E488-R497 PolarHBondContact OE2-NH1 2.94Å; E488-R497 IonicContact OE2-NH2 3.6Å; E488-R497 PolarHBondContact OE2-NH2 3.07Å; A492-R497 HydrophobicContact CB-CG 4.05Å; A492-R497 PolarHBondContact O-N 2.94Å; A492-R497 VanDerWaalsContact O-O 3.1Å; E495-R497 VanDerWaalsContact C-N 3.25Å; E495-R497 HydrophobicContact CB-CG 4.08Å; E495-R497 PolarHBondContact O-N 3.25Å; E495-R497 WeakPolarHBondContact OE2-CD 3.48Å; E495-R497 IonicContact OE2-CZ 3.7Å; E495-R497 IonicContact OE2-NE 3.79Å; E495-R497 PolarHBondContact OE2-NE 3.3Å; E495-R497 IonicContact OE2-NH2 2.7Å
498	K	90.6	Very high	92.4	Very high	187 Å²	187	83.6 Å²	83.6	81%	0.813	42%	0.418	S	S	*	.			trans	-71.8	131.2	173.4	-170.4	176.5	179.2	-180	0	109.3
499	P	94.8	Very high	92.3	Very high	37 Å²	37	86.5 Å²	86.5	24%	0.24	43%	0.433	C	S	.	.			trans	-70.8	152.7	175.2	27.5	-33.4	0	0	0	111.7	E488 A492 F501	E488-P499 HydrophobicContact CG-CB 4.32Å; E488-P499 WeakPolarHBondContact OE1-CA 3.4Å; A492-P499 HydrophobicContact CB-CB 3.65Å; A492-P499 HydrophobicContact CB-CG 4.39Å; P499-F501 HydrophobicContact CB-CD1 4.45Å; P499-F501 HydrophobicContact CB-CD2 4.44Å; P499-F501 HydrophobicContact CB-CE1 3.9Å; P499-F501 HydrophobicContact CB-CE2 3.9Å; P499-F501 HydrophobicContact CB-CZ 3.59Å; P499-F501 HydrophobicContact CG-CD2 4.38Å; P499-F501 HydrophobicContact CG-CE1 4.39Å; P499-F501 HydrophobicContact CG-CE2 3.58Å; P499-F501 HydrophobicContact CG-CZ 3.58Å
500	N	97.7	Very high	92.2	Very high	114 Å²	114	92.2 Å²	92.2	61%	0.61	46%	0.461	S	S	*	.			trans	-117.5	88.3	171.3	179.7	62	0	0	0	110.8	E488	E488-N500 PolarHBondContact OE1-N 3.43Å
501	F	97.5	Very high	92.4	Very high	82 Å²	82	97.6 Å²	97.6	36%	0.36	49%	0.488	S	S	.	.			trans	-74.9	136.3	178.9	-57.8	-58.1	0	0	0	112.3	D485 P499	D485-F501 HydrophobicContact CB-CD1 3.88Å; D485-F501 WeakPolarHBondContact O-CE1 3.46Å; D485-F501 VanDerWaalsContact OD1-CA 3.24Å; D485-F501 WeakPolarHBondContact OD1-CA 3.31Å; P499-F501 HydrophobicContact CB-CD1 4.45Å; P499-F501 HydrophobicContact CB-CD2 4.44Å; P499-F501 HydrophobicContact CB-CE1 3.9Å; P499-F501 HydrophobicContact CB-CE2 3.9Å; P499-F501 HydrophobicContact CB-CZ 3.59Å; P499-F501 HydrophobicContact CG-CD2 4.38Å; P499-F501 HydrophobicContact CG-CE1 4.39Å; P499-F501 HydrophobicContact CG-CE2 3.58Å; P499-F501 HydrophobicContact CG-CZ 3.58Å
502	V	97	Very high	92.5	Very high	76 Å²	76	100.1 Å²	100.1	46%	0.461	50%	0.499	S	S	.	.			trans	-119.9	-11	-173.8	-68.3	0	0	0	0	113.6	D485 H504	D485-V502 VanDerWaalsContact OD1-CG2 3.31Å; D485-V502 WeakPolarHBondContact OD1-CG2 3.36Å; D485-V502 PolarHBondContact OD1-N 3.14Å; D485-V502 PolarHBondContact OD2-N 3.35Å; V502-H504 WeakPolarHBondContact CG2-CE1 3.28Å
503	G	95.7	Very high	92.7	Very high	67 Å²	67	108.3 Å²	108.3	69%	0.691	54%	0.54	S	S	*	.			trans	85.9	28.1	170.9	0	0	0	0	0	116.2	D485	D485-G503 PolarHBondContact OD1-N 2.88Å; D485-G503 VanDerWaalsContact OD2-CA 3.29Å; D485-G503 WeakPolarHBondContact OD2-CA 3.45Å; D485-G503 PolarHBondContact OD2-N 3.4Å
504	H	91.6	Very high	93	Very high	128 Å²	128	108 Å²	108	59%	0.593	54%	0.544	S	S	*	.			trans	-146.8	0	175	53.1	-83.9	0	0	0	113.8	S483 E484 D485 V502	S483-H504 WeakPolarHBondContact CB-O 3.35Å; S483-H504 VanDerWaalsContact CB-OXT 3.22Å; S483-H504 WeakPolarHBondContact CB-OXT 3.45Å; E484-H504 WeakPolarHBondContact CB-O 3.47Å; E484-H504 PolarHBondContact N-O 2.73Å; E484-H504 IonicContact OE1-CD2 2.83Å; E484-H504 IonicContact OE1-NE2 2.83Å; E484-H504 IonicContact OE2-CD2 3.38Å; E484-H504 IonicContact OE2-NE2 3.7Å; E484-H504 PolarHBondContact OE2-NE2 3.38Å; D485-H504 PolarHBondContact N-O 2.82Å; V502-H504 WeakPolarHBondContact CG2-CE1 3.28Å

Retrieved 504 of 504 residues in 2601.8 ms (Link to these results)

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