A0A5K4FD47_SCHMA Loading...

Inositol-1-monophosphatase AlphaSync

AlphaFold DB , UniProt , Accession A0A5K4FD47, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 266 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	80.5	Confident	95	Very high	204 Å²	204	54.7 Å²	54.7	100%	1.005	29%	0.285	S	S	*	.				0	151.6	0	-75.1	-175.2	-78.3	0	0	107.6
2	A	89.4	Confident	95.3	Very high	12 Å²	12	53.6 Å²	53.6	10%	0.099	28%	0.282	C	S	.	.			trans	-63.4	150.2	169.6	0	0	0	0	0	110.2	F57 W80 Y104 L112	A2-F57 HydrophobicContact CB-CE2 4.21Å; A2-F57 HydrophobicContact CB-CZ 3.95Å; A2-W80 HydrophobicContact CB-CH2 3.4Å; A2-W80 HydrophobicContact CB-CZ2 3.63Å; A2-Y104 HydrophobicContact CB-CD1 4.05Å; A2-Y104 HydrophobicContact CB-CE1 4.03Å; A2-Y104 HydrophobicContact CB-CG 4.39Å; A2-L112 HydrophobicContact CB-CD1 4.03Å; A2-L112 WeakPolarHBondContact O-CD1 3.41Å
3	D	94.3	Very high	95.5	Very high	88 Å²	88	57.2 Å²	57.2	47%	0.471	29%	0.294	S	S	.	.			trans	-121.6	165.2	171.4	66.3	46.6	0	0	0	110.2	L5 F6 V7	D3-L5 PolarHBondContact O-N 2.82Å; D3-L5 WeakPolarHBondContact OD1-CA 3.47Å; D3-L5 WeakPolarHBondContact OD1-CB 3.45Å; D3-L5 PolarHBondContact OD1-N 3.25Å; D3-F6 PolarHBondContact O-N 3.05Å; D3-F6 PolarHBondContact OD1-N 2.89Å; D3-V7 WeakPolarHBondContact O-CG2 3.45Å; D3-V7 PolarHBondContact O-N 3.27Å
4	I	96.6	Very high	95.7	Very high	38 Å²	38	53.1 Å²	53.1	20%	0.195	27%	0.273	C	S	.	.	H	α-helix	trans	-65.6	-27.2	-175.8	-165.7	56.5	0	0	0	113.2	V7 S8 L112 V114 H125 I127	I4-V7 PolarHBondContact O-N 3.06Å; I4-S8 VanDerWaalsContact O-CB 3.24Å; I4-S8 WeakPolarHBondContact O-CB 3.36Å; I4-S8 PolarHBondContact O-N 3.36Å; I4-S8 PolarHBondContact O-OG 3.26Å; I4-L112 HydrophobicContact CB-CD2 4.39Å; I4-V114 HydrophobicContact CD1-CG2 3.76Å; I4-H125 HydrophobicContact CD1-CB 4.05Å; I4-H125 HydrophobicContact CG1-CB 4.45Å; I4-I127 HydrophobicContact CB-CD1 3.77Å; I4-I127 HydrophobicContact CB-CG1 4.03Å; I4-I127 HydrophobicContact CD1-CG1 4.18Å; I4-I127 HydrophobicContact CG1-CD1 4.05Å; I4-I127 HydrophobicContact CG1-CG1 4.02Å; I4-I127 HydrophobicContact CG2-CD1 3.8Å
5	L	96.6	Very high	95.9	Very high	110 Å²	110	49.6 Å²	49.6	58%	0.576	26%	0.255	S	S	*	.	H	α-helix	trans	-70.4	-40.9	-179.1	179.9	63.1	0	0	0	110.4	D3 N9	D3-L5 PolarHBondContact O-N 2.82Å; D3-L5 WeakPolarHBondContact OD1-CA 3.47Å; D3-L5 WeakPolarHBondContact OD1-CB 3.45Å; D3-L5 PolarHBondContact OD1-N 3.25Å; L5-N9 VanDerWaalsContact O-CB 3.28Å; L5-N9 WeakPolarHBondContact O-CB 3.44Å; L5-N9 PolarHBondContact O-N 2.98Å; L5-N9 PolarHBondContact O-ND2 2.81Å
6	F	97.8	Very high	96	Very high	44 Å²	44	54.8 Å²	54.8	19%	0.193	28%	0.275	C	S	.	.	H	α-helix	trans	-57.4	-53.1	172.4	175.2	-95.2	0	0	0	111.2	D3 S8 N9 L10 I53 S56 F57 W80	D3-F6 PolarHBondContact O-N 3.05Å; D3-F6 PolarHBondContact OD1-N 2.89Å; F6-S8 PolarHBondContact O-N 2.95Å; F6-N9 PolarHBondContact O-N 2.99Å; F6-L10 HydrophobicContact CE1-CD2 4.15Å; F6-L10 HydrophobicContact CZ-CD2 4.42Å; F6-L10 WeakPolarHBondContact O-CB 3.49Å; F6-L10 PolarHBondContact O-N 2.82Å; F6-I53 HydrophobicContact CE1-CG1 4.25Å; F6-I53 HydrophobicContact CZ-CG1 4.45Å; F6-S56 WeakPolarHBondContact CE2-OG 3.49Å; F6-F57 HydrophobicContact CD1-CE2 4.01Å; F6-F57 HydrophobicContact CE1-CD2 4.35Å; F6-F57 AromaticContact CE1-CE2 3.72Å; F6-F57 HydrophobicContact CE1-CE2 3.72Å; F6-F57 HydrophobicContact CE2-CE2 4.37Å; F6-F57 HydrophobicContact CG-CE2 4.46Å; F6-F57 HydrophobicContact CZ-CD2 4.42Å; F6-F57 AromaticContact CZ-CE2 3.92Å; F6-F57 HydrophobicContact CZ-CE2 3.92Å; F6-W80 AromaticContact CD1-CH2 3.95Å; F6-W80 HydrophobicContact CD1-CH2 3.95Å; F6-W80 AromaticContact CE1-CH2 3.87Å; F6-W80 HydrophobicContact CE1-CH2 3.87Å; F6-W80 HydrophobicContact CE1-CZ2 4.24Å
7	V	97.5	Very high	96.1	Very high	1 Å²	1	55.4 Å²	55.4	1%	0.006	28%	0.278	C	S	.	.	H	α-helix	trans	-65.3	-41	-176.7	-167.8	0	0	0	0	111.4	D3 I4 L10 A11 W80 I102 L112 V114	D3-V7 WeakPolarHBondContact O-CG2 3.45Å; D3-V7 PolarHBondContact O-N 3.27Å; I4-V7 PolarHBondContact O-N 3.06Å; V7-L10 WeakPolarHBondContact O-CB 3.48Å; V7-L10 PolarHBondContact O-N 3.02Å; V7-A11 WeakPolarHBondContact O-CB 3.38Å; V7-A11 PolarHBondContact O-N 3.03Å; V7-W80 HydrophobicContact CG1-CZ3 4.46Å; V7-W80 HydrophobicContact CG2-CH2 3.87Å; V7-W80 HydrophobicContact CG2-CZ3 3.64Å; V7-I102 HydrophobicContact CG1-CB 3.95Å; V7-I102 HydrophobicContact CG1-CG2 3.75Å; V7-L112 HydrophobicContact CG2-CD1 4.37Å; V7-V114 HydrophobicContact CB-CG2 3.92Å; V7-V114 HydrophobicContact CG1-CB 3.94Å; V7-V114 HydrophobicContact CG1-CG2 3.6Å
8	S	97.9	Very high	96.2	Very high	18 Å²	18	52.3 Å²	52.3	13%	0.126	26%	0.262	C	S	.	.	H	α-helix	trans	-65.3	-43.4	178.2	-58.4	0	0	0	0	111.6	I4 F6 L10 A11 V12	I4-S8 VanDerWaalsContact O-CB 3.24Å; I4-S8 WeakPolarHBondContact O-CB 3.36Å; I4-S8 PolarHBondContact O-N 3.36Å; I4-S8 PolarHBondContact O-OG 3.26Å; F6-S8 PolarHBondContact O-N 2.95Å; S8-L10 VanDerWaalsContact C-N 3.3Å; S8-L10 PolarHBondContact O-N 2.75Å; S8-A11 PolarHBondContact O-N 2.73Å; S8-V12 WeakPolarHBondContact O-CB 3.39Å; S8-V12 VanDerWaalsContact O-CG2 3.26Å; S8-V12 WeakPolarHBondContact O-CG2 3.43Å; S8-V12 PolarHBondContact O-N 3.36Å
9	N	97.9	Very high	96.2	Very high	83 Å²	83	53.5 Å²	53.5	44%	0.444	27%	0.267	S	S	.	.	H	α-helix	trans	-62.8	-39.3	175.6	-77.1	-34	0	0	0	112	L5 F6 V12 K13	L5-N9 VanDerWaalsContact O-CB 3.28Å; L5-N9 WeakPolarHBondContact O-CB 3.44Å; L5-N9 PolarHBondContact O-N 2.98Å; L5-N9 PolarHBondContact O-ND2 2.81Å; F6-N9 PolarHBondContact O-N 2.99Å; N9-V12 PolarHBondContact O-N 3.38Å; N9-K13 WeakPolarHBondContact O-CG 3.35Å; N9-K13 PolarHBondContact O-N 3.01Å
10	L	97.8	Very high	96.1	Very high	4 Å²	4	53.5 Å²	53.5	2%	0.021	28%	0.275	C	S	.	.	H	α-helix	trans	-62.3	-50.6	176.4	-171.1	60.2	0	0	0	111	F6 V7 S8 V12 K13 A14 Y48 I49 E52 I53 I102	F6-L10 HydrophobicContact CE1-CD2 4.15Å; F6-L10 HydrophobicContact CZ-CD2 4.42Å; F6-L10 WeakPolarHBondContact O-CB 3.49Å; F6-L10 PolarHBondContact O-N 2.82Å; V7-L10 WeakPolarHBondContact O-CB 3.48Å; V7-L10 PolarHBondContact O-N 3.02Å; S8-L10 VanDerWaalsContact C-N 3.3Å; S8-L10 PolarHBondContact O-N 2.75Å; L10-V12 VanDerWaalsContact C-N 3.35Å; L10-V12 PolarHBondContact O-N 3.41Å; L10-K13 PolarHBondContact O-N 3.06Å; L10-A14 WeakPolarHBondContact O-CB 3.48Å; L10-A14 PolarHBondContact O-N 2.7Å; L10-Y48 HydrophobicContact CD1-CE1 3.74Å; L10-I49 HydrophobicContact CD2-CG2 3.74Å; L10-I49 HydrophobicContact CG-CG1 4.35Å; L10-I49 HydrophobicContact CG-CG2 4.22Å; L10-E52 HydrophobicContact CD1-CB 3.59Å; L10-E52 HydrophobicContact CD1-CG 3.86Å; L10-I53 HydrophobicContact CD2-CD1 3.97Å; L10-I53 HydrophobicContact CD2-CG1 3.72Å; L10-I102 HydrophobicContact CD2-CD1 4.23Å; L10-I102 HydrophobicContact CG-CD1 4.21Å
11	A	98.6	Very high	96	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-59.8	-41.8	176.5	0	0	0	0	0	112.2	V7 S8 A14 G15 V100 I102 V114 Y116	V7-A11 WeakPolarHBondContact O-CB 3.38Å; V7-A11 PolarHBondContact O-N 3.03Å; S8-A11 PolarHBondContact O-N 2.73Å; A11-A14 PolarHBondContact O-N 3.09Å; A11-G15 PolarHBondContact O-N 2.99Å; A11-V100 HydrophobicContact CB-CG1 3.95Å; A11-I102 HydrophobicContact CB-CD1 4.12Å; A11-V114 HydrophobicContact CB-CB 4.4Å; A11-V114 HydrophobicContact CB-CG1 3.55Å; A11-Y116 WeakPolarHBondContact O-CD1 3.29Å
12	V	98.5	Very high	96.6	Very high	41 Å²	41	42.7 Å²	42.7	25%	0.248	22%	0.222	C	C	.	.	H	α-helix	trans	-65	-40.8	177.8	168.6	0	0	0	0	111.8	S8 N9 L10 G15 K16 Y116 L123	S8-V12 WeakPolarHBondContact O-CB 3.39Å; S8-V12 VanDerWaalsContact O-CG2 3.26Å; S8-V12 WeakPolarHBondContact O-CG2 3.43Å; S8-V12 PolarHBondContact O-N 3.36Å; N9-V12 PolarHBondContact O-N 3.38Å; L10-V12 VanDerWaalsContact C-N 3.35Å; L10-V12 PolarHBondContact O-N 3.41Å; V12-G15 PolarHBondContact O-N 3.2Å; V12-K16 WeakPolarHBondContact O-CG 3.36Å; V12-K16 PolarHBondContact O-N 3.04Å; V12-K16 VanDerWaalsContact O-N 3.14Å; V12-Y116 HydrophobicContact CG2-CE1 4.28Å; V12-L123 HydrophobicContact CG2-CD1 3.67Å
13	K	98.3	Very high	96.4	Very high	101 Å²	101	46.4 Å²	46.4	44%	0.439	25%	0.247	S	C	.	.	H	α-helix	trans	-67.8	-44.8	176.4	-73.1	176.2	-178	177.9	0	111.6	N9 L10 G15 K16 M17 Y48 E52	N9-K13 WeakPolarHBondContact O-CG 3.35Å; N9-K13 PolarHBondContact O-N 3.01Å; L10-K13 PolarHBondContact O-N 3.06Å; K13-G15 VanDerWaalsContact C-N 3.3Å; K13-G15 PolarHBondContact O-N 2.94Å; K13-K16 WeakPolarHBondContact O-CB 3.4Å; K13-K16 PolarHBondContact O-N 3.19Å; K13-M17 PolarHBondContact O-N 2.93Å; K13-Y48 HydrophobicContact CB-CE1 3.78Å; K13-Y48 WeakPolarHBondContact CD-OH 3.27Å; K13-E52 IonicContact NZ-OE2 2.9Å; K13-E52 PolarHBondContact NZ-OE2 3.46Å
14	A	98.4	Very high	96.1	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-55.8	-46	171.1	0	0	0	0	0	111.3	L10 A11 K16 M17 I18 V45 Y48 I49 V100	L10-A14 WeakPolarHBondContact O-CB 3.48Å; L10-A14 PolarHBondContact O-N 2.7Å; A11-A14 PolarHBondContact O-N 3.09Å; A14-K16 VanDerWaalsContact C-N 3.26Å; A14-K16 PolarHBondContact O-N 3.02Å; A14-M17 WeakPolarHBondContact O-CA 3.44Å; A14-M17 VanDerWaalsContact O-CB 3.3Å; A14-M17 WeakPolarHBondContact O-CB 3.48Å; A14-M17 PolarHBondContact O-N 3.38Å; A14-I18 PolarHBondContact O-N 3.41Å; A14-I18 VanDerWaalsContact O-N 3.08Å; A14-V45 HydrophobicContact CB-CG1 3.8Å; A14-Y48 HydrophobicContact CB-CD1 4.43Å; A14-I49 HydrophobicContact CB-CD1 3.9Å; A14-I49 HydrophobicContact CB-CG1 4.04Å; A14-V100 HydrophobicContact CB-CG1 4.41Å; A14-V100 HydrophobicContact CB-CG2 4.23Å
15	G	98.3	Very high	95.1	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-60.5	-29.6	177.9	0	0	0	0	0	114.4	A11 V12 K13 I18 E19 P118	A11-G15 PolarHBondContact O-N 2.99Å; V12-G15 PolarHBondContact O-N 3.2Å; K13-G15 VanDerWaalsContact C-N 3.3Å; K13-G15 PolarHBondContact O-N 2.94Å; G15-I18 PolarHBondContact O-N 3.36Å; G15-E19 WeakPolarHBondContact O-CB 3.33Å; G15-E19 PolarHBondContact O-N 3.4Å; G15-P118 WeakPolarHBondContact O-CB 3.44Å
16	K	97.8	Very high	94.2	Very high	133 Å²	133	49 Å²	49	58%	0.578	26%	0.264	S	S	*	.	H	α-helix	trans	-67.4	-35.9	171.7	-70.3	175.5	-177.3	179.6	0	112.2	V12 K13 A14 A20	V12-K16 WeakPolarHBondContact O-CG 3.36Å; V12-K16 PolarHBondContact O-N 3.04Å; V12-K16 VanDerWaalsContact O-N 3.14Å; K13-K16 WeakPolarHBondContact O-CB 3.4Å; K13-K16 PolarHBondContact O-N 3.19Å; A14-K16 VanDerWaalsContact C-N 3.26Å; A14-K16 PolarHBondContact O-N 3.02Å; K16-A20 WeakPolarHBondContact O-CB 3.26Å; K16-A20 PolarHBondContact O-N 3.46Å
17	M	97.4	Very high	93.5	Very high	65 Å²	65	52.2 Å²	52.2	32%	0.32	29%	0.289	S	S	.	.	H	α-helix	trans	-66.2	-44	174.6	-60.6	172.2	59	0	0	110.3	K13 A14 A20 G21 A44 V45 Y48	K13-M17 PolarHBondContact O-N 2.93Å; A14-M17 WeakPolarHBondContact O-CA 3.44Å; A14-M17 VanDerWaalsContact O-CB 3.3Å; A14-M17 WeakPolarHBondContact O-CB 3.48Å; A14-M17 PolarHBondContact O-N 3.38Å; M17-A20 PolarHBondContact O-N 2.96Å; M17-G21 PolarHBondContact O-N 3.38Å; M17-A44 HydrophobicContact CE-CB 3.85Å; M17-A44 WeakPolarHBondContact CE-O 3.31Å; M17-V45 HydrophobicContact CB-CG2 3.88Å; M17-V45 HydrophobicContact CE-CG2 4.14Å; M17-V45 HydrophobicContact SD-CG2 4.43Å; M17-Y48 HydrophobicContact SD-CD1 4Å; M17-Y48 HydrophobicContact SD-CG 3.95Å
18	I	97.3	Very high	93	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-60	-51.1	174.8	-59.9	172.3	0	0	0	110.4	A14 G15 A20 G21 F22 V45 P84 I85 F91 V98 V100 P118	A14-I18 PolarHBondContact O-N 3.41Å; A14-I18 VanDerWaalsContact O-N 3.08Å; G15-I18 PolarHBondContact O-N 3.36Å; I18-A20 VanDerWaalsContact C-N 3.32Å; I18-A20 PolarHBondContact O-N 3.34Å; I18-G21 CarbonylContact O-C 3.59Å; I18-G21 WeakPolarHBondContact O-CA 3.44Å; I18-G21 PolarHBondContact O-N 3.29Å; I18-F22 WeakPolarHBondContact O-CB 3.21Å; I18-F22 PolarHBondContact O-N 3.38Å; I18-V45 HydrophobicContact CG1-CG2 3.91Å; I18-P84 WeakPolarHBondContact CD1-O 3.41Å; I18-I85 HydrophobicContact CD1-CG1 3.94Å; I18-I85 HydrophobicContact CG1-CD1 4.01Å; I18-I85 HydrophobicContact CG1-CG1 3.96Å; I18-F91 HydrophobicContact CG2-CD2 4Å; I18-F91 HydrophobicContact CG2-CE2 3.97Å; I18-F91 WeakPolarHBondContact O-CE2 3.41Å; I18-V98 HydrophobicContact CG2-CG1 3.87Å; I18-V100 HydrophobicContact CD1-CB 4.08Å; I18-P118 HydrophobicContact CB-CG 3.92Å; I18-P118 HydrophobicContact CD1-CG 4.43Å; I18-P118 HydrophobicContact CG2-CG 3.78Å
19	E	96.3	Very high	92.4	Very high	75 Å²	75	61.3 Å²	61.3	35%	0.35	33%	0.329	S	S	.	.	H	α-helix	trans	-58.5	-41.3	179.7	-178.5	173.1	-146.9	0	0	112.7	G15 G21 F22 S23 K121	G15-E19 WeakPolarHBondContact O-CB 3.33Å; G15-E19 PolarHBondContact O-N 3.4Å; E19-G21 VanDerWaalsContact C-N 3.28Å; E19-G21 PolarHBondContact O-N 3.42Å; E19-F22 PolarHBondContact O-N 3.48Å; E19-S23 PolarHBondContact O-N 2.94Å; E19-S23 PolarHBondContact O-OG 2.87Å; E19-K121 IonicContact OE1-NZ 3.42Å; E19-K121 PolarHBondContact OE1-NZ 3.38Å; E19-K121 IonicContact OE2-NZ 3.26Å; E19-K121 PolarHBondContact OE2-NZ 3.47Å
20	A	95.2	Very high	91.8	Very high	52 Å²	52	63.7 Å²	63.7	43%	0.43	34%	0.335	S	S	.	.	H	α-helix	trans	-65.6	-32.3	175.7	0	0	0	0	0	112.6	K16 M17 I18	K16-A20 WeakPolarHBondContact O-CB 3.26Å; K16-A20 PolarHBondContact O-N 3.46Å; M17-A20 PolarHBondContact O-N 2.96Å; I18-A20 VanDerWaalsContact C-N 3.32Å; I18-A20 PolarHBondContact O-N 3.34Å
21	G	94	Very high	91.2	Very high	5 Å²	5	66.8 Å²	66.8	5%	0.052	35%	0.348	C	S	.	.	H	α-helix	trans	-77	-41.9	175.7	0	0	0	0	0	113.4	M17 I18 E19 S23 K24 I26	M17-G21 PolarHBondContact O-N 3.38Å; I18-G21 CarbonylContact O-C 3.59Å; I18-G21 WeakPolarHBondContact O-CA 3.44Å; I18-G21 PolarHBondContact O-N 3.29Å; E19-G21 VanDerWaalsContact C-N 3.28Å; E19-G21 PolarHBondContact O-N 3.42Å; G21-S23 PolarHBondContact O-N 2.74Å; G21-K24 WeakPolarHBondContact O-CB 3.38Å; G21-K24 PolarHBondContact O-N 2.95Å; G21-I26 VanDerWaalsContact CA-CD1 3.46Å; G21-I26 VanDerWaalsContact O-CD1 3.26Å; G21-I26 WeakPolarHBondContact O-CD1 3.49Å
22	F	92.4	Very high	90.3	Very high	27 Å²	27	74.5 Å²	74.5	12%	0.118	38%	0.384	C	S	.	.	H	α-helix	trans	-59.8	-32.6	-177.9	-172.6	-95.1	0	0	0	112.7	I18 E19 K24 F91 R94 V98 I119	I18-F22 WeakPolarHBondContact O-CB 3.21Å; I18-F22 PolarHBondContact O-N 3.38Å; E19-F22 PolarHBondContact O-N 3.48Å; F22-K24 PolarHBondContact O-N 2.93Å; F22-F91 HydrophobicContact CB-CD2 4.16Å; F22-F91 HydrophobicContact CB-CE2 3.84Å; F22-F91 AromaticContact CD2-CD2 3.89Å; F22-F91 HydrophobicContact CD2-CD2 3.89Å; F22-F91 HydrophobicContact CD2-CE2 4.42Å; F22-F91 VanDerWaalsContact N-CE2 3.32Å; F22-R94 HydrophobicContact CE1-CB 4.15Å; F22-R94 VanDerWaalsContact CE2-CA 3.49Å; F22-R94 HydrophobicContact CE2-CB 4.28Å; F22-R94 VanDerWaalsContact CZ-CA 3.43Å; F22-R94 HydrophobicContact CZ-CB 3.88Å; F22-R94 WeakPolarHBondContact CZ-O 3.24Å; F22-V98 HydrophobicContact CD2-CG2 4.35Å; F22-V98 HydrophobicContact CE2-CG2 4.03Å; F22-I119 HydrophobicContact CB-CD1 3.82Å; F22-I119 HydrophobicContact CD1-CD1 3.6Å; F22-I119 HydrophobicContact CD1-CG1 4.24Å; F22-I119 HydrophobicContact CD2-CD1 3.96Å; F22-I119 HydrophobicContact CD2-CG1 4.14Å; F22-I119 HydrophobicContact CE1-CD1 4.07Å; F22-I119 HydrophobicContact CE1-CG1 4.23Å; F22-I119 HydrophobicContact CE1-CG2 3.96Å; F22-I119 HydrophobicContact CE2-CD1 4.37Å; F22-I119 HydrophobicContact CE2-CG1 4.12Å; F22-I119 HydrophobicContact CG-CD1 3.53Å; F22-I119 HydrophobicContact CG-CG1 4.18Å; F22-I119 HydrophobicContact CZ-CD1 4.41Å; F22-I119 HydrophobicContact CZ-CG1 4.16Å; F22-I119 HydrophobicContact CZ-CG2 4.14Å
23	S	86.5	Confident	89.7	Confident	90 Å²	90	73.7 Å²	73.7	63%	0.629	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.8	-9.7	177.1	-58	0	0	0	0	113.7	E19 G21	E19-S23 PolarHBondContact O-N 2.94Å; E19-S23 PolarHBondContact O-OG 2.87Å; G21-S23 PolarHBondContact O-N 2.74Å
24	K	87.2	Confident	89.1	Confident	136 Å²	136	76.1 Å²	76.1	59%	0.591	39%	0.388	S	S	*	.	S	Bend	trans	-107.4	163.9	-176.5	-63.1	176.6	-175	175.1	0	110.6	G21 F22 I26 R94	G21-K24 WeakPolarHBondContact O-CB 3.38Å; G21-K24 PolarHBondContact O-N 2.95Å; F22-K24 PolarHBondContact O-N 2.93Å; K24-I26 HydrophobicContact CB-CD1 4.27Å; K24-I26 HydrophobicContact CB-CG1 3.87Å; K24-R94 VanDerWaalsContact C-NH2 3.27Å; K24-R94 PolarHBondContact O-NH2 2.91Å; K24-R94 VanDerWaalsContact O-NH2 3.1Å
25	S	76.1	Confident	88.3	Confident	113 Å²	113	77.3 Å²	77.3	79%	0.79	40%	0.398	S	S	*	.			trans	-92.2	109.4	163.3	-170.2	0	0	0	0	106
26	I	77.4	Confident	87.8	Confident	41 Å²	41	79.1 Å²	79.1	21%	0.21	41%	0.407	C	S	.	.			trans	-109.1	135.7	-175.6	-55.9	-173.5	0	0	0	108.3	G21 K24 V41 F91	G21-I26 VanDerWaalsContact CA-CD1 3.46Å; G21-I26 VanDerWaalsContact O-CD1 3.26Å; G21-I26 WeakPolarHBondContact O-CD1 3.49Å; K24-I26 HydrophobicContact CB-CD1 4.27Å; K24-I26 HydrophobicContact CB-CG1 3.87Å; I26-V41 HydrophobicContact CD1-CG2 3.43Å; I26-V41 VanDerWaalsContact CD1-CG2 3.43Å; I26-V41 HydrophobicContact CG2-CG2 4.45Å; I26-F91 HydrophobicContact CD1-CE1 4.36Å; I26-F91 HydrophobicContact CD1-CZ 4.15Å
27	P	82.4	Confident	87.5	Confident	111 Å²	111	73.5 Å²	73.5	72%	0.721	38%	0.384	S	S	*	.			trans	-54.6	146.4	168.2	-22.7	33.4	0	0	0	111.1
28	Y	87.6	Confident	87.2	Confident	117 Å²	117	70.9 Å²	70.9	46%	0.459	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	149.2	174.3	61.2	-94.8	0	0	0	109	L37 V38 V92	Y28-L37 HydrophobicContact CD2-CD1 4.18Å; Y28-L37 HydrophobicContact CD2-CD2 3.82Å; Y28-L37 HydrophobicContact CD2-CG 4.46Å; Y28-L37 HydrophobicContact CE2-CD1 4.4Å; Y28-L37 HydrophobicContact CE2-CD2 4.01Å; Y28-V38 CarbonylContact C-O 3.56Å; Y28-V38 VanDerWaalsContact CA-O 3.3Å; Y28-V38 WeakPolarHBondContact CA-O 3.29Å; Y28-V92 HydrophobicContact CD1-CG1 3.54Å; Y28-V92 HydrophobicContact CD1-CG2 4.11Å; Y28-V92 HydrophobicContact CE1-CG1 3.73Å; Y28-V92 HydrophobicContact CG-CG1 4.26Å; Y28-V92 HydrophobicContact CG-CG2 4.15Å
29	D	85.4	Confident	86.9	Confident	93 Å²	93	71 Å²	71	50%	0.497	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	169.2	169.3	-66.9	-49.3	0	0	0	109.7	L37 V38	D29-L37 WeakPolarHBondContact O-CA 3.46Å; D29-V38 HydrophobicContact CB-CG1 3.75Å; D29-V38 PolarHBondContact N-O 3.21Å; D29-V38 PolarHBondContact O-N 3.22Å
30	K	85.4	Confident	86.8	Confident	134 Å²	134	72.7 Å²	72.7	58%	0.583	38%	0.38	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.4	140.6	175.8	-65.1	165.6	-179.6	175.3	0	109.1	D36 L37	K30-D36 CarbonylContact C-O 3.53Å; K30-D36 WeakPolarHBondContact CA-O 3.4Å; K30-L37 HydrophobicContact CG-CD2 4.12Å
31	K	84.9	Confident	86.8	Confident	68 Å²	68	71.1 Å²	71.1	30%	0.296	37%	0.365	S	S	.	.	S	Bend	trans	-95.2	-114.6	173.3	-65.7	-175	-166.1	-175.1	0	109.5	S33 D36 V38 E65 E66	K31-S33 PolarHBondContact O-N 3.48Å; K31-D36 HydrophobicContact CB-CB 4.26Å; K31-D36 VanDerWaalsContact CB-CG 3.47Å; K31-D36 WeakPolarHBondContact CB-OD2 3.28Å; K31-D36 PolarHBondContact N-O 2.91Å; K31-V38 HydrophobicContact CD-CB 4.44Å; K31-V38 VanDerWaalsContact CE-CB 3.48Å; K31-V38 HydrophobicContact CG-CB 4.16Å; K31-V38 HydrophobicContact CG-CG1 4.18Å; K31-E65 IonicContact NZ-OE1 2.8Å; K31-E65 PolarHBondContact NZ-OE1 2.88Å; K31-E66 WeakPolarHBondContact CE-OE1 3.43Å; K31-E66 WeakPolarHBondContact CE-OE2 3.24Å; K31-E66 IonicContact NZ-OE1 3.12Å; K31-E66 PolarHBondContact NZ-OE1 3.31Å; K31-E66 IonicContact NZ-OE2 2.76Å; K31-E66 PolarHBondContact NZ-OE2 3.46Å; K31-E66 VanDerWaalsContact NZ-OE2 3.12Å
32	E	80.7	Confident	86.8	Confident	163 Å²	163	70.9 Å²	70.9	76%	0.762	36%	0.362	S	S	*	.	S	Bend	trans	-71.4	-28.9	-173.9	-62.8	-169.1	162.9	0	0	113.4	D36	E32-D36 PolarHBondContact N-OD2 2.86Å
33	S	84.7	Confident	86.9	Confident	24 Å²	24	73.5 Å²	73.5	17%	0.168	37%	0.374	C	S	.	.	S	Bend	trans	-142.8	171.8	-178	101	0	0	0	0	111.6	K31 A35 D36 G158	K31-S33 PolarHBondContact O-N 3.48Å; S33-A35 PolarHBondContact O-N 2.97Å; S33-A35 PolarHBondContact OG-N 3.36Å; S33-D36 PolarHBondContact O-N 2.96Å; S33-D36 VanDerWaalsContact O-O 3.08Å; S33-D36 PolarHBondContact OG-N 3.05Å; S33-G158 WeakPolarHBondContact CB-O 3.09Å; S33-G158 PolarHBondContact OG-O 2.88Å
34	Y	86	Confident	87.4	Confident	152 Å²	152	71.2 Å²	71.2	60%	0.596	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.7	-14	175.1	69.8	-97	0	0	0	114.1	R160	Y34-R160 HydrophobicContact CD1-CG 4.48Å; Y34-R160 HydrophobicContact CE1-CB 4.07Å; Y34-R160 HydrophobicContact CE1-CG 3.69Å; Y34-R160 WeakPolarHBondContact OH-CD 3.44Å
35	A	82	Confident	87.9	Confident	24 Å²	24	64.8 Å²	64.8	20%	0.198	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.7	-8.4	177.9	0	0	0	0	0	113.1	S33	S33-A35 PolarHBondContact O-N 2.97Å; S33-A35 PolarHBondContact OG-N 3.36Å
36	D	86.9	Confident	88.9	Confident	38 Å²	38	60.3 Å²	60.3	20%	0.203	30%	0.299	C	S	.	.			trans	-100.5	110.7	177.4	-177.9	14.6	0	0	0	108.1	K30 K31 E32 S33	K30-D36 CarbonylContact C-O 3.53Å; K30-D36 WeakPolarHBondContact CA-O 3.4Å; K31-D36 HydrophobicContact CB-CB 4.26Å; K31-D36 VanDerWaalsContact CB-CG 3.47Å; K31-D36 WeakPolarHBondContact CB-OD2 3.28Å; K31-D36 PolarHBondContact N-O 2.91Å; E32-D36 PolarHBondContact N-OD2 2.86Å; S33-D36 PolarHBondContact O-N 2.96Å; S33-D36 VanDerWaalsContact O-O 3.08Å; S33-D36 PolarHBondContact OG-N 3.05Å
37	L	90.8	Very high	89.9	Confident	16 Å²	16	62.6 Å²	62.6	8%	0.084	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	152.4	-164.1	-54.9	-174.9	0	0	0	110.7	Y28 D29 K30 T88 V92	Y28-L37 HydrophobicContact CD2-CD1 4.18Å; Y28-L37 HydrophobicContact CD2-CD2 3.82Å; Y28-L37 HydrophobicContact CD2-CG 4.46Å; Y28-L37 HydrophobicContact CE2-CD1 4.4Å; Y28-L37 HydrophobicContact CE2-CD2 4.01Å; D29-L37 WeakPolarHBondContact O-CA 3.46Å; K30-L37 HydrophobicContact CG-CD2 4.12Å; L37-T88 HydrophobicContact CB-CG2 4.19Å; L37-T88 WeakPolarHBondContact O-CG2 3.08Å; L37-V92 HydrophobicContact CD1-CB 4.33Å; L37-V92 HydrophobicContact CD1-CG1 4.41Å; L37-V92 HydrophobicContact CD1-CG2 4.13Å
38	V	91.4	Very high	90.7	Very high	10 Å²	10	59.4 Å²	59.4	6%	0.061	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	145.6	170.9	63.7	0	0	0	0	109.7	Y28 D29 K31 D42 K43 E66	Y28-V38 CarbonylContact C-O 3.56Å; Y28-V38 VanDerWaalsContact CA-O 3.3Å; Y28-V38 WeakPolarHBondContact CA-O 3.29Å; D29-V38 HydrophobicContact CB-CG1 3.75Å; D29-V38 PolarHBondContact N-O 3.21Å; D29-V38 PolarHBondContact O-N 3.22Å; K31-V38 HydrophobicContact CD-CB 4.44Å; K31-V38 VanDerWaalsContact CE-CB 3.48Å; K31-V38 HydrophobicContact CG-CB 4.16Å; K31-V38 HydrophobicContact CG-CG1 4.18Å; V38-D42 HydrophobicContact CG2-CB 4.11Å; V38-K43 HydrophobicContact CG2-CG 4.42Å; V38-E66 VanDerWaalsContact CG2-OE2 3.29Å; V38-E66 WeakPolarHBondContact CG2-OE2 3.25Å
39	T	91.7	Very high	91.2	Very high	1 Å²	1	53.8 Å²	53.8	1%	0.006	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	166.5	170.2	83.6	0	0	0	0	110.9	V41 D42 T88 F91 V92	T39-V41 PolarHBondContact O-N 3.32Å; T39-V41 WeakPolarHBondContact OG1-CB 3.49Å; T39-V41 PolarHBondContact OG1-N 3.41Å; T39-D42 VanDerWaalsContact CA-OD2 3.27Å; T39-D42 WeakPolarHBondContact CA-OD2 3.28Å; T39-D42 WeakPolarHBondContact CB-OD2 3.34Å; T39-D42 PolarHBondContact N-OD2 3.45Å; T39-D42 PolarHBondContact O-N 3.42Å; T39-D42 PolarHBondContact OG1-OD2 2.97Å; T39-T88 HydrophobicContact CG2-CG2 4.05Å; T39-F91 HydrophobicContact CG2-CD1 3.98Å; T39-F91 HydrophobicContact CG2-CE1 4.02Å; T39-V92 HydrophobicContact CG2-CG2 3.86Å
40	E	93.5	Very high	91.7	Very high	112 Å²	112	50.3 Å²	50.3	52%	0.523	25%	0.246	S	C	.	.	H	α-helix	trans	-63	-17.7	171	-68.2	-58.3	130.2	0	0	112.7	K43 A44	E40-K43 IonicContact OE1-NZ 2.66Å; E40-K43 PolarHBondContact OE1-NZ 2.87Å; E40-A44 WeakPolarHBondContact O-CB 3.32Å; E40-A44 PolarHBondContact O-N 3.06Å
41	V	94.7	Very high	92.3	Very high	19 Å²	19	49.3 Å²	49.3	12%	0.115	24%	0.244	C	C	.	.	H	α-helix	trans	-74.2	-40.9	175.6	-169.5	0	0	0	0	110.7	I26 T39 K43 A44 V45 I85 F91	I26-V41 HydrophobicContact CD1-CG2 3.43Å; I26-V41 VanDerWaalsContact CD1-CG2 3.43Å; I26-V41 HydrophobicContact CG2-CG2 4.45Å; T39-V41 PolarHBondContact O-N 3.32Å; T39-V41 WeakPolarHBondContact OG1-CB 3.49Å; T39-V41 PolarHBondContact OG1-N 3.41Å; V41-K43 PolarHBondContact O-N 3.01Å; V41-A44 PolarHBondContact O-N 2.97Å; V41-V45 HydrophobicContact CG1-CG2 4.12Å; V41-V45 WeakPolarHBondContact O-CB 3.31Å; V41-V45 VanDerWaalsContact O-CG2 3.24Å; V41-V45 WeakPolarHBondContact O-CG2 3.49Å; V41-V45 PolarHBondContact O-N 2.99Å; V41-I85 HydrophobicContact CB-CD1 4.06Å; V41-I85 HydrophobicContact CG1-CD1 3.86Å; V41-F91 HydrophobicContact CB-CE1 4.24Å; V41-F91 HydrophobicContact CB-CZ 3.99Å; V41-F91 HydrophobicContact CG1-CZ 4.13Å; V41-F91 HydrophobicContact CG2-CE1 4.16Å; V41-F91 HydrophobicContact CG2-CZ 3.87Å
42	D	95.2	Very high	92.9	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-55.5	-53.8	175.9	-51.2	-114	0	0	0	109.6	V38 T39 A44 V45 E46 E66 P84 I85 T88	V38-D42 HydrophobicContact CG2-CB 4.11Å; T39-D42 VanDerWaalsContact CA-OD2 3.27Å; T39-D42 WeakPolarHBondContact CA-OD2 3.28Å; T39-D42 WeakPolarHBondContact CB-OD2 3.34Å; T39-D42 PolarHBondContact N-OD2 3.45Å; T39-D42 PolarHBondContact O-N 3.42Å; T39-D42 PolarHBondContact OG1-OD2 2.97Å; D42-A44 PolarHBondContact O-N 3.39Å; D42-V45 PolarHBondContact O-N 3.42Å; D42-E46 PolarHBondContact O-N 2.85Å; D42-E66 HydrophobicContact CB-CG 4.25Å; D42-P84 HydrophobicContact CB-CG 4.42Å; D42-P84 WeakPolarHBondContact O-CB 3.42Å; D42-I85 HydrophobicContact CB-CD1 4.27Å; D42-I85 HydrophobicContact CB-CG1 4.45Å; D42-I85 WeakPolarHBondContact OD1-CB 3.26Å; D42-T88 WeakPolarHBondContact OD1-CG2 3.31Å; D42-T88 PolarHBondContact OD1-OG1 3.11Å
43	K	94.8	Very high	93.7	Very high	82 Å²	82	41.5 Å²	41.5	36%	0.357	21%	0.208	S	C	.	.	H	α-helix	trans	-59.7	-42.5	177.4	-60.8	176.4	-168.2	161.5	0	112.8	V38 E40 V41 N47	V38-K43 HydrophobicContact CG2-CG 4.42Å; E40-K43 IonicContact OE1-NZ 2.66Å; E40-K43 PolarHBondContact OE1-NZ 2.87Å; V41-K43 PolarHBondContact O-N 3.01Å; K43-N47 VanDerWaalsContact O-CB 3.31Å; K43-N47 WeakPolarHBondContact O-CB 3.45Å; K43-N47 PolarHBondContact O-N 2.82Å
44	A	96.3	Very high	94.3	Very high	42 Å²	42	43.9 Å²	43.9	35%	0.347	22%	0.219	S	C	.	.	H	α-helix	trans	-67.4	-40	-179.8	0	0	0	0	0	112.1	M17 E40 V41 D42 Y48	M17-A44 HydrophobicContact CE-CB 3.85Å; M17-A44 WeakPolarHBondContact CE-O 3.31Å; E40-A44 WeakPolarHBondContact O-CB 3.32Å; E40-A44 PolarHBondContact O-N 3.06Å; V41-A44 PolarHBondContact O-N 2.97Å; D42-A44 PolarHBondContact O-N 3.39Å; A44-Y48 WeakPolarHBondContact O-CB 3.21Å; A44-Y48 PolarHBondContact O-N 2.83Å
45	V	97.7	Very high	94.9	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-66.7	-46.2	177	170.4	0	0	0	0	110.4	A14 M17 I18 V41 D42 N47 Y48 I49 P84	A14-V45 HydrophobicContact CB-CG1 3.8Å; M17-V45 HydrophobicContact CB-CG2 3.88Å; M17-V45 HydrophobicContact CE-CG2 4.14Å; M17-V45 HydrophobicContact SD-CG2 4.43Å; I18-V45 HydrophobicContact CG1-CG2 3.91Å; V41-V45 HydrophobicContact CG1-CG2 4.12Å; V41-V45 WeakPolarHBondContact O-CB 3.31Å; V41-V45 VanDerWaalsContact O-CG2 3.24Å; V41-V45 WeakPolarHBondContact O-CG2 3.49Å; V41-V45 PolarHBondContact O-N 2.99Å; D42-V45 PolarHBondContact O-N 3.42Å; V45-N47 PolarHBondContact O-N 3.42Å; V45-Y48 PolarHBondContact O-N 3.41Å; V45-I49 HydrophobicContact CG1-CD1 3.6Å; V45-I49 HydrophobicContact CG1-CG1 4.3Å; V45-I49 VanDerWaalsContact O-CG1 3.26Å; V45-I49 WeakPolarHBondContact O-CG1 3.06Å; V45-I49 PolarHBondContact O-N 3.02Å; V45-P84 HydrophobicContact CB-CB 3.95Å; V45-P84 HydrophobicContact CG1-CB 3.72Å; V45-P84 WeakPolarHBondContact CG1-O 3.35Å
46	E	98.2	Very high	95.6	Very high	20 Å²	20	42.3 Å²	42.3	9%	0.093	23%	0.233	C	C	.	.	H	α-helix	trans	-58.7	-50.8	176.8	-174.6	174.4	110.4	0	0	111.3	D42 Y48 I49 C50 A64 E65 E66 G67 P84	D42-E46 PolarHBondContact O-N 2.85Å; E46-Y48 VanDerWaalsContact C-N 3.28Å; E46-Y48 PolarHBondContact O-N 2.83Å; E46-I49 PolarHBondContact O-N 2.74Å; E46-I49 VanDerWaalsContact O-N 3.15Å; E46-C50 WeakPolarHBondContact O-CB 3.2Å; E46-C50 PolarHBondContact O-N 2.73Å; E46-C50 PolarHBondContact O-SG 3.35Å; E46-A64 VanDerWaalsContact CD-CB 3.41Å; E46-A64 HydrophobicContact CG-CB 3.88Å; E46-A64 VanDerWaalsContact OE2-CB 3.28Å; E46-A64 WeakPolarHBondContact OE2-CB 3.21Å; E46-E65 PolarHBondContact OE2-N 3.48Å; E46-E66 WeakPolarHBondContact OE2-CA 3.38Å; E46-E66 WeakPolarHBondContact OE2-CB 3.48Å; E46-E66 PolarHBondContact OE2-N 2.91Å; E46-G67 PolarHBondContact OE1-N 2.92Å; E46-P84 HydrophobicContact CB-CB 3.89Å; E46-P84 HydrophobicContact CB-CG 4.02Å
47	N	97.6	Very high	96.1	Very high	89 Å²	89	42.2 Å²	42.2	48%	0.476	23%	0.231	S	C	.	.	H	α-helix	trans	-58	-42.6	179.6	-177.8	40	0	0	0	111.6	K43 V45 Q51	K43-N47 VanDerWaalsContact O-CB 3.31Å; K43-N47 WeakPolarHBondContact O-CB 3.45Å; K43-N47 PolarHBondContact O-N 2.82Å; V45-N47 PolarHBondContact O-N 3.42Å; N47-Q51 PolarHBondContact ND2-NE2 3.1Å; N47-Q51 VanDerWaalsContact O-CB 3.32Å; N47-Q51 WeakPolarHBondContact O-CB 3.45Å; N47-Q51 WeakPolarHBondContact O-CG 3.36Å; N47-Q51 PolarHBondContact O-N 2.9Å; N47-Q51 PolarHBondContact OD1-NE2 3.36Å
48	Y	98.1	Very high	96.4	Very high	43 Å²	43	46.2 Å²	46.2	17%	0.169	26%	0.258	C	S	.	.	H	α-helix	trans	-59.5	-51	174.8	168.8	-106.8	0	0	0	112.1	L10 K13 A14 M17 A44 V45 E46 Q51 E52	L10-Y48 HydrophobicContact CD1-CE1 3.74Å; K13-Y48 HydrophobicContact CB-CE1 3.78Å; K13-Y48 WeakPolarHBondContact CD-OH 3.27Å; A14-Y48 HydrophobicContact CB-CD1 4.43Å; M17-Y48 HydrophobicContact SD-CD1 4Å; M17-Y48 HydrophobicContact SD-CG 3.95Å; A44-Y48 WeakPolarHBondContact O-CB 3.21Å; A44-Y48 PolarHBondContact O-N 2.83Å; V45-Y48 PolarHBondContact O-N 3.41Å; E46-Y48 VanDerWaalsContact C-N 3.28Å; E46-Y48 PolarHBondContact O-N 2.83Å; Y48-Q51 PolarHBondContact O-N 2.89Å; Y48-E52 HydrophobicContact CD2-CG 4Å; Y48-E52 HydrophobicContact CE1-CG 4.4Å; Y48-E52 HydrophobicContact CE2-CG 3.37Å; Y48-E52 WeakPolarHBondContact O-CG 3.43Å; Y48-E52 PolarHBondContact O-N 2.88Å; Y48-E52 VanDerWaalsContact O-N 3.1Å; Y48-E52 PolarHBondContact OH-OE2 3.16Å
49	I	98.2	Very high	96.7	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-61.3	-48.5	-178.6	-66	169.1	0	0	0	110.4	L10 A14 V45 E46 Q51 E52 I53 I82 V100 I102	L10-I49 HydrophobicContact CD2-CG2 3.74Å; L10-I49 HydrophobicContact CG-CG1 4.35Å; L10-I49 HydrophobicContact CG-CG2 4.22Å; A14-I49 HydrophobicContact CB-CD1 3.9Å; A14-I49 HydrophobicContact CB-CG1 4.04Å; V45-I49 HydrophobicContact CG1-CD1 3.6Å; V45-I49 HydrophobicContact CG1-CG1 4.3Å; V45-I49 VanDerWaalsContact O-CG1 3.26Å; V45-I49 WeakPolarHBondContact O-CG1 3.06Å; V45-I49 PolarHBondContact O-N 3.02Å; E46-I49 PolarHBondContact O-N 2.74Å; E46-I49 VanDerWaalsContact O-N 3.15Å; I49-Q51 PolarHBondContact O-N 3.21Å; I49-E52 PolarHBondContact O-N 3.29Å; I49-I53 HydrophobicContact CG2-CD1 3.71Å; I49-I53 WeakPolarHBondContact O-CB 3.5Å; I49-I53 WeakPolarHBondContact O-CG1 3.4Å; I49-I53 PolarHBondContact O-N 3.31Å; I49-I82 HydrophobicContact CD1-CG2 4.03Å; I49-I82 HydrophobicContact CG2-CD1 3.63Å; I49-I82 HydrophobicContact CG2-CG1 4.09Å; I49-I82 HydrophobicContact CG2-CG2 4.02Å; I49-V100 HydrophobicContact CD1-CG2 3.59Å; I49-I102 HydrophobicContact CD1-CD1 4.15Å; I49-I102 HydrophobicContact CG2-CD1 4.15Å
50	C	97.6	Very high	96.9	Very high	20 Å²	20	53 Å²	53	14%	0.135	30%	0.297	C	S	.	.	H	α-helix	trans	-60.3	-43.9	179.6	-70.1	0	0	0	0	112.2	E46 I53 L54 I62	E46-C50 WeakPolarHBondContact O-CB 3.2Å; E46-C50 PolarHBondContact O-N 2.73Å; E46-C50 PolarHBondContact O-SG 3.35Å; C50-I53 PolarHBondContact O-N 2.87Å; C50-L54 WeakPolarHBondContact O-CB 3.45Å; C50-L54 WeakPolarHBondContact O-CG 3.32Å; C50-L54 PolarHBondContact O-N 3.22Å; C50-I62 HydrophobicContact CB-CD1 3.94Å
51	Q	97.5	Very high	97	Very high	113 Å²	113	51.8 Å²	51.8	53%	0.528	29%	0.291	S	S	.	.	H	α-helix	trans	-63	-46.7	178.1	-76	178.3	9.5	0	0	112.4	N47 Y48 I49 I53 L54 A55	N47-Q51 PolarHBondContact ND2-NE2 3.1Å; N47-Q51 VanDerWaalsContact O-CB 3.32Å; N47-Q51 WeakPolarHBondContact O-CB 3.45Å; N47-Q51 WeakPolarHBondContact O-CG 3.36Å; N47-Q51 PolarHBondContact O-N 2.9Å; N47-Q51 PolarHBondContact OD1-NE2 3.36Å; Y48-Q51 PolarHBondContact O-N 2.89Å; I49-Q51 PolarHBondContact O-N 3.21Å; Q51-I53 VanDerWaalsContact C-N 3.32Å; Q51-I53 PolarHBondContact O-N 3.02Å; Q51-L54 PolarHBondContact O-N 2.86Å; Q51-A55 VanDerWaalsContact O-CB 3.25Å; Q51-A55 WeakPolarHBondContact O-CB 3.22Å; Q51-A55 PolarHBondContact O-N 2.9Å
52	E	97.8	Very high	97.1	Very high	66 Å²	66	53.3 Å²	53.3	31%	0.308	30%	0.298	S	S	.	.	H	α-helix	trans	-65.6	-38	-179.8	-65.1	-86.8	102.7	0	0	111.7	L10 K13 Y48 I49 S56	L10-E52 HydrophobicContact CD1-CB 3.59Å; L10-E52 HydrophobicContact CD1-CG 3.86Å; K13-E52 IonicContact NZ-OE2 2.9Å; K13-E52 PolarHBondContact NZ-OE2 3.46Å; Y48-E52 HydrophobicContact CD2-CG 4Å; Y48-E52 HydrophobicContact CE1-CG 4.4Å; Y48-E52 HydrophobicContact CE2-CG 3.37Å; Y48-E52 WeakPolarHBondContact O-CG 3.43Å; Y48-E52 PolarHBondContact O-N 2.88Å; Y48-E52 VanDerWaalsContact O-N 3.1Å; Y48-E52 PolarHBondContact OH-OE2 3.16Å; I49-E52 PolarHBondContact O-N 3.29Å; E52-S56 PolarHBondContact O-N 3.28Å; E52-S56 PolarHBondContact O-OG 2.62Å
53	I	97.7	Very high	97.2	Very high	0 Å²	0	54 Å²	54	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-62.3	-53.1	174	-75.3	169.6	0	0	0	110.3	F6 L10 I49 C50 Q51 A55 S56 F57 I62 W80 I82	F6-I53 HydrophobicContact CE1-CG1 4.25Å; F6-I53 HydrophobicContact CZ-CG1 4.45Å; L10-I53 HydrophobicContact CD2-CD1 3.97Å; L10-I53 HydrophobicContact CD2-CG1 3.72Å; I49-I53 HydrophobicContact CG2-CD1 3.71Å; I49-I53 WeakPolarHBondContact O-CB 3.5Å; I49-I53 WeakPolarHBondContact O-CG1 3.4Å; I49-I53 PolarHBondContact O-N 3.31Å; C50-I53 PolarHBondContact O-N 2.87Å; Q51-I53 VanDerWaalsContact C-N 3.32Å; Q51-I53 PolarHBondContact O-N 3.02Å; I53-A55 VanDerWaalsContact C-N 3.3Å; I53-A55 PolarHBondContact O-N 3.17Å; I53-S56 PolarHBondContact O-N 3.42Å; I53-F57 WeakPolarHBondContact O-CA 3.49Å; I53-F57 WeakPolarHBondContact O-CB 3.48Å; I53-F57 PolarHBondContact O-N 2.97Å; I53-I62 HydrophobicContact CB-CD1 4.3Å; I53-I62 HydrophobicContact CG2-CD1 3.93Å; I53-I62 HydrophobicContact CG2-CG1 4.33Å; I53-W80 HydrophobicContact CD1-CB 4.06Å; I53-W80 HydrophobicContact CD1-CD2 3.8Å; I53-W80 HydrophobicContact CD1-CE3 3.95Å; I53-W80 HydrophobicContact CD1-CG 3.87Å; I53-W80 HydrophobicContact CG1-CD2 4.23Å; I53-W80 HydrophobicContact CG2-CD2 4.12Å; I53-W80 HydrophobicContact CG2-CG 3.86Å; I53-W80 VanDerWaalsContact CG2-NE1 3.25Å; I53-I82 HydrophobicContact CD1-CD1 3.73Å; I53-I82 HydrophobicContact CD1-CG1 4.48Å
54	L	97.4	Very high	97.3	Very high	75 Å²	75	50.6 Å²	50.6	39%	0.393	29%	0.288	S	S	.	.	H	α-helix	trans	-70.4	-27	-176.4	-68.1	175.4	0	0	0	112.6	C50 Q51 S56 P58 I62	C50-L54 WeakPolarHBondContact O-CB 3.45Å; C50-L54 WeakPolarHBondContact O-CG 3.32Å; C50-L54 PolarHBondContact O-N 3.22Å; Q51-L54 PolarHBondContact O-N 2.86Å; L54-S56 VanDerWaalsContact C-N 3.33Å; L54-P58 WeakPolarHBondContact O-CA 3.39Å; L54-P58 WeakPolarHBondContact O-CG 3.2Å; L54-I62 HydrophobicContact CD1-CD1 4.17Å; L54-I62 HydrophobicContact CD2-CD1 4.08Å; L54-I62 HydrophobicContact CG-CD1 3.83Å
55	A	97.7	Very high	97.3	Very high	80 Å²	80	50 Å²	50	66%	0.661	28%	0.278	S	S	*	.	H	α-helix	trans	-65.5	-37.9	171.4	0	0	0	0	0	112	Q51 I53	Q51-A55 VanDerWaalsContact O-CB 3.25Å; Q51-A55 WeakPolarHBondContact O-CB 3.22Å; Q51-A55 PolarHBondContact O-N 2.9Å; I53-A55 VanDerWaalsContact C-N 3.3Å; I53-A55 PolarHBondContact O-N 3.17Å
56	S	97.6	Very high	96.9	Very high	62 Å²	62	52.3 Å²	52.3	43%	0.434	29%	0.289	S	S	.	.	H	α-helix	trans	-87.8	-31.9	-178.9	-55.1	0	0	0	0	112.9	F6 E52 I53 L54	F6-S56 WeakPolarHBondContact CE2-OG 3.49Å; E52-S56 PolarHBondContact O-N 3.28Å; E52-S56 PolarHBondContact O-OG 2.62Å; I53-S56 PolarHBondContact O-N 3.42Å; L54-S56 VanDerWaalsContact C-N 3.33Å
57	F	97.5	Very high	96.2	Very high	36 Å²	36	53.9 Å²	53.9	16%	0.158	31%	0.311	C	S	.	.			trans	-135.9	69.9	-174.1	-53.1	-73.5	0	0	0	111.6	A2 F6 I53 T59 H60 W80	A2-F57 HydrophobicContact CB-CE2 4.21Å; A2-F57 HydrophobicContact CB-CZ 3.95Å; F6-F57 HydrophobicContact CD1-CE2 4.01Å; F6-F57 HydrophobicContact CE1-CD2 4.35Å; F6-F57 AromaticContact CE1-CE2 3.72Å; F6-F57 HydrophobicContact CE1-CE2 3.72Å; F6-F57 HydrophobicContact CE2-CE2 4.37Å; F6-F57 HydrophobicContact CG-CE2 4.46Å; F6-F57 HydrophobicContact CZ-CD2 4.42Å; F6-F57 AromaticContact CZ-CE2 3.92Å; F6-F57 HydrophobicContact CZ-CE2 3.92Å; I53-F57 WeakPolarHBondContact O-CA 3.49Å; I53-F57 WeakPolarHBondContact O-CB 3.48Å; I53-F57 PolarHBondContact O-N 2.97Å; F57-T59 PolarHBondContact O-N 3.28Å; F57-H60 HydrophobicContact CB-CB 4.05Å; F57-H60 VanDerWaalsContact CB-CG 3.49Å; F57-H60 WeakPolarHBondContact CB-ND1 3.49Å; F57-H60 AromaticContact CD1-CE1 3.53Å; F57-H60 AromaticContact CD1-NE2 3.8Å; F57-H60 AromaticContact CG-CE1 3.59Å; F57-H60 AromaticContact CG-ND1 3.76Å; F57-H60 PolarHBondContact O-N 2.95Å; F57-W80 AromaticContact CD2-CZ2 3.73Å; F57-W80 HydrophobicContact CD2-CZ2 3.73Å; F57-W80 HydrophobicContact CE2-CH2 4.41Å; F57-W80 AromaticContact CE2-CZ2 3.8Å; F57-W80 HydrophobicContact CE2-CZ2 3.8Å
58	P	97.1	Very high	95.6	Very high	101 Å²	101	52.9 Å²	52.9	66%	0.656	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-18.7	-169.9	-23.4	33.1	0	0	0	115.7	L54	L54-P58 WeakPolarHBondContact O-CA 3.39Å; L54-P58 WeakPolarHBondContact O-CG 3.2Å
59	T	96.2	Very high	94.7	Very high	125 Å²	125	56.4 Å²	56.4	77%	0.767	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.1	-4.3	-178.1	59.7	0	0	0	0	113.7	F57	F57-T59 PolarHBondContact O-N 3.28Å
60	H	96.9	Very high	93.7	Very high	27 Å²	27	58.8 Å²	58.8	13%	0.125	36%	0.357	C	S	.	.			trans	-76.6	152.1	179.7	-71.1	-160.9	0	0	0	110.7	F57 P78 W80 Y104	F57-H60 HydrophobicContact CB-CB 4.05Å; F57-H60 VanDerWaalsContact CB-CG 3.49Å; F57-H60 WeakPolarHBondContact CB-ND1 3.49Å; F57-H60 AromaticContact CD1-CE1 3.53Å; F57-H60 AromaticContact CD1-NE2 3.8Å; F57-H60 AromaticContact CG-CE1 3.59Å; F57-H60 AromaticContact CG-ND1 3.76Å; F57-H60 PolarHBondContact O-N 2.95Å; H60-P78 HydrophobicContact CB-CB 4.46Å; H60-W80 AromaticContact CG-NE1 3.71Å; H60-W80 AromaticContact ND1-CD1 3.89Å; H60-W80 AromaticContact ND1-CE2 3.83Å; H60-W80 AromaticContact ND1-NE1 3.02Å; H60-W80 PolarHBondContact ND1-NE1 3.26Å; H60-Y104 AromaticContact CE1-CE2 3.7Å; H60-Y104 AromaticContact CE1-CZ 3.89Å; H60-Y104 PolarHBondContact CE1-OH 2.92Å; H60-Y104 AromaticContact ND1-CE2 3.6Å
61	K	96.4	Very high	93	Very high	88 Å²	88	63.8 Å²	63.8	38%	0.383	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	158	173.1	-64.2	-174.8	178	-178.2	0	110.8	T75 P78 T79 W80	K61-T75 VanDerWaalsContact NZ-CG2 3.29Å; K61-T75 PolarHBondContact NZ-OG1 2.86Å; K61-P78 PolarHBondContact N-O 2.89Å; K61-T79 HydrophobicContact CB-CG2 4.13Å; K61-T79 CarbonylContact O-C 3.59Å; K61-T79 WeakPolarHBondContact O-CA 3.37Å; K61-W80 PolarHBondContact O-N 3.38Å
62	I	96.7	Very high	92.6	Very high	51 Å²	51	58.8 Å²	58.8	26%	0.262	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	135.3	175.5	-62.4	-176.9	0	0	0	109.1	C50 I53 L54 A64 W80 I82	C50-I62 HydrophobicContact CB-CD1 3.94Å; I53-I62 HydrophobicContact CB-CD1 4.3Å; I53-I62 HydrophobicContact CG2-CD1 3.93Å; I53-I62 HydrophobicContact CG2-CG1 4.33Å; L54-I62 HydrophobicContact CD1-CD1 4.17Å; L54-I62 HydrophobicContact CD2-CD1 4.08Å; L54-I62 HydrophobicContact CG-CD1 3.83Å; I62-A64 HydrophobicContact CG2-CB 3.99Å; I62-W80 CarbonylContact C-O 3.59Å; I62-W80 WeakPolarHBondContact CA-O 3.45Å; I62-W80 HydrophobicContact CG1-CB 4.32Å; I62-I82 HydrophobicContact CG2-CD1 3.75Å
63	I	97	Very high	92.2	Very high	15 Å²	15	61.9 Å²	61.9	8%	0.077	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	119.5	164.4	-56.6	174.1	0	0	0	105.4	A72 T79 W80 I81 I82 W211 M238	I63-A72 HydrophobicContact CD1-CB 4.29Å; I63-A72 HydrophobicContact CG2-CB 3.76Å; I63-T79 HydrophobicContact CD1-CG2 3.89Å; I63-T79 HydrophobicContact CG1-CG2 3.9Å; I63-W80 PolarHBondContact N-O 3.44Å; I63-I81 HydrophobicContact CB-CG1 4.39Å; I63-I81 HydrophobicContact CB-CG2 4.46Å; I63-I81 HydrophobicContact CD1-CG1 4.39Å; I63-I81 CarbonylContact O-C 3.56Å; I63-I81 VanDerWaalsContact O-CA 3.28Å; I63-I81 WeakPolarHBondContact O-CA 3.45Å; I63-I82 PolarHBondContact O-N 3.41Å; I63-W211 HydrophobicContact CG2-CE3 4.18Å; I63-W211 HydrophobicContact CG2-CZ3 4.48Å; I63-M238 HydrophobicContact CD1-CE 4.12Å
64	A	96.9	Very high	92.1	Very high	9 Å²	9	62.9 Å²	62.9	7%	0.074	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	149	-178.2	0	0	0	0	0	110.3	E46 I62 Y68 I82	E46-A64 VanDerWaalsContact CD-CB 3.41Å; E46-A64 HydrophobicContact CG-CB 3.88Å; E46-A64 VanDerWaalsContact OE2-CB 3.28Å; E46-A64 WeakPolarHBondContact OE2-CB 3.21Å; I62-A64 HydrophobicContact CG2-CB 3.99Å; A64-Y68 PolarHBondContact O-N 3.4Å; A64-Y68 VanDerWaalsContact O-N 3.13Å; A64-I82 WeakPolarHBondContact CA-O 3.46Å; A64-I82 HydrophobicContact CB-CB 4.08Å
65	E	95.1	Very high	92	Very high	30 Å²	30	60.2 Å²	60.2	14%	0.14	37%	0.366	C	S	.	.	S	Bend	trans	-59.6	-53.8	-171.9	-178.1	179.6	-177	0	0	113.6	K31 E46 G67 Y68 I82 W211	K31-E65 IonicContact NZ-OE1 2.8Å; K31-E65 PolarHBondContact NZ-OE1 2.88Å; E46-E65 PolarHBondContact OE2-N 3.48Å; E65-G67 VanDerWaalsContact C-N 3.31Å; E65-G67 PolarHBondContact O-N 2.94Å; E65-Y68 WeakPolarHBondContact O-CB 3.32Å; E65-Y68 PolarHBondContact O-N 3.35Å; E65-Y68 VanDerWaalsContact O-N 3.12Å; E65-I82 PolarHBondContact N-O 2.92Å; E65-W211 HydrophobicContact CB-CD2 3.94Å; E65-W211 HydrophobicContact CB-CG 4.03Å; E65-W211 HydrophobicContact CB-CZ2 4.11Å; E65-W211 HydrophobicContact CG-CD2 4.47Å; E65-W211 HydrophobicContact CG-CZ2 3.82Å
66	E	89.4	Confident	91.9	Very high	48 Å²	48	59.9 Å²	59.9	22%	0.224	36%	0.358	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-24.8	-170.5	-55.1	-59.2	163.9	0	0	112	K31 V38 D42 E46 Y68 P84	K31-E66 WeakPolarHBondContact CE-OE1 3.43Å; K31-E66 WeakPolarHBondContact CE-OE2 3.24Å; K31-E66 IonicContact NZ-OE1 3.12Å; K31-E66 PolarHBondContact NZ-OE1 3.31Å; K31-E66 IonicContact NZ-OE2 2.76Å; K31-E66 PolarHBondContact NZ-OE2 3.46Å; K31-E66 VanDerWaalsContact NZ-OE2 3.12Å; V38-E66 VanDerWaalsContact CG2-OE2 3.29Å; V38-E66 WeakPolarHBondContact CG2-OE2 3.25Å; D42-E66 HydrophobicContact CB-CG 4.25Å; E46-E66 WeakPolarHBondContact OE2-CA 3.38Å; E46-E66 WeakPolarHBondContact OE2-CB 3.48Å; E46-E66 PolarHBondContact OE2-N 2.91Å; E66-Y68 VanDerWaalsContact C-N 3.34Å; E66-P84 HydrophobicContact CG-CG 4.01Å
67	G	84.1	Confident	91.9	Very high	54 Å²	54	59.3 Å²	59.3	56%	0.557	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.3	-2	170.5	0	0	0	0	0	114.3	E46 E65 S69	E46-G67 PolarHBondContact OE1-N 2.92Å; E65-G67 VanDerWaalsContact C-N 3.31Å; E65-G67 PolarHBondContact O-N 2.94Å; G67-S69 PolarHBondContact O-N 3.42Å
68	Y	84.1	Confident	91.9	Very high	67 Å²	67	59.4 Å²	59.4	26%	0.263	36%	0.359	S	S	.	.			trans	-67.2	130.1	-176.4	-178.8	-115.6	0	0	0	111.7	A64 E65 E66 G70 N71 A72 W211 D266	A64-Y68 PolarHBondContact O-N 3.4Å; A64-Y68 VanDerWaalsContact O-N 3.13Å; E65-Y68 WeakPolarHBondContact O-CB 3.32Å; E65-Y68 PolarHBondContact O-N 3.35Å; E65-Y68 VanDerWaalsContact O-N 3.12Å; E66-Y68 VanDerWaalsContact C-N 3.34Å; Y68-G70 VanDerWaalsContact CZ-C 3.45Å; Y68-G70 WeakPolarHBondContact OH-CA 3.49Å; Y68-G70 PolarHBondContact OH-O 2.92Å; Y68-N71 VanDerWaalsContact CE2-N 3.3Å; Y68-N71 PolarHBondContact OH-N 3.23Å; Y68-A72 HydrophobicContact CD2-CB 4.4Å; Y68-A72 HydrophobicContact CE2-CB 3.9Å; Y68-W211 AromaticContact CD1-CH2 3.61Å; Y68-W211 HydrophobicContact CD1-CH2 3.61Å; Y68-W211 HydrophobicContact CD1-CZ3 4.29Å; Y68-W211 AromaticContact CD2-CH2 3.94Å; Y68-W211 HydrophobicContact CD2-CH2 3.94Å; Y68-W211 AromaticContact CD2-CZ3 3.76Å; Y68-W211 HydrophobicContact CD2-CZ3 3.76Å; Y68-W211 HydrophobicContact CE1-CH2 4.1Å; Y68-W211 HydrophobicContact CE2-CH2 4.42Å; Y68-W211 HydrophobicContact CE2-CZ3 4.27Å; Y68-W211 AromaticContact CG-CH2 3.49Å; Y68-W211 HydrophobicContact CG-CH2 3.49Å; Y68-W211 VanDerWaalsContact CG-CH2 3.49Å; Y68-W211 AromaticContact CG-CZ3 3.77Å; Y68-W211 HydrophobicContact CG-CZ3 3.77Å; Y68-D266 PolarHBondContact OH-OXT 2.99Å
69	S	79.8	Confident	92	Very high	117 Å²	117	54.7 Å²	54.7	82%	0.818	33%	0.328	S	S	*	.			trans	-118.6	17.8	-177.1	52.7	0	0	0	0	113.6	G67	G67-S69 PolarHBondContact O-N 3.42Å
70	G	77.7	Confident	92	Very high	51 Å²	51	48.7 Å²	48.7	53%	0.526	29%	0.291	S	S	.	.	S	Bend	trans	97	9.6	175.2	0	0	0	0	0	116.1	Y68	Y68-G70 VanDerWaalsContact CZ-C 3.45Å; Y68-G70 WeakPolarHBondContact OH-CA 3.49Å; Y68-G70 PolarHBondContact OH-O 2.92Å
71	N	82.2	Confident	92.1	Very high	125 Å²	125	47.5 Å²	47.5	67%	0.668	29%	0.285	S	S	*	.			trans	-152.7	110.9	172.4	-174.2	10	0	0	0	111.2	Y68 D266	Y68-N71 VanDerWaalsContact CE2-N 3.3Å; Y68-N71 PolarHBondContact OH-N 3.23Å; N71-D266 WeakPolarHBondContact CA-OXT 3.5Å
72	A	88.7	Confident	92.2	Very high	7 Å²	7	43.3 Å²	43.3	6%	0.058	27%	0.267	C	S	.	.			trans	-108.6	118.6	175.3	0	0	0	0	0	109.8	I63 Y68 M238 D266	I63-A72 HydrophobicContact CD1-CB 4.29Å; I63-A72 HydrophobicContact CG2-CB 3.76Å; Y68-A72 HydrophobicContact CD2-CB 4.4Å; Y68-A72 HydrophobicContact CE2-CB 3.9Å; A72-M238 HydrophobicContact CB-CE 4.46Å; A72-M238 HydrophobicContact CB-SD 4.19Å; A72-D266 HydrophobicContact CB-CB 3.99Å; A72-D266 PolarHBondContact N-OXT 3.21Å
73	E	91.3	Very high	92.3	Very high	132 Å²	132	40.9 Å²	40.9	62%	0.617	26%	0.255	S	S	*	.			trans	-115.3	109.6	178.9	-165.7	-170.1	174	0	0	111.7	T75	E73-T75 HydrophobicContact CB-CG2 4.47Å; E73-T75 HydrophobicContact CG-CG2 3.84Å; E73-T75 PolarHBondContact O-N 3.26Å
74	L	95	Very high	92.3	Very high	21 Å²	21	40.2 Å²	40.2	11%	0.11	25%	0.251	C	S	.	.			trans	-80.6	99	169.2	-174.9	61.5	0	0	0	110.3	T79 I81 Y105 K108 L237 M238	L74-T79 HydrophobicContact CD1-CG2 4.09Å; L74-I81 HydrophobicContact CD1-CD1 4.46Å; L74-Y105 HydrophobicContact CD1-CD1 4.39Å; L74-Y105 HydrophobicContact CD1-CG 4.31Å; L74-Y105 HydrophobicContact CD2-CD1 3.8Å; L74-Y105 HydrophobicContact CD2-CE1 4.2Å; L74-Y105 HydrophobicContact CD2-CG 4.48Å; L74-K108 HydrophobicContact CD2-CB 4.14Å; L74-K108 HydrophobicContact CG-CB 4.21Å; L74-K108 HydrophobicContact CG-CG 4.23Å; L74-K108 WeakPolarHBondContact O-CD 3.29Å; L74-K108 WeakPolarHBondContact O-CE 3.45Å; L74-L237 HydrophobicContact CD2-CD1 3.91Å; L74-M238 HydrophobicContact CB-CE 3.49Å; L74-M238 VanDerWaalsContact CB-CE 3.49Å
75	T	94.7	Very high	92.4	Very high	19 Å²	19	39.8 Å²	39.8	12%	0.117	25%	0.248	C	C	.	.			trans	-89.4	178.7	175.9	67.8	0	0	0	0	112.4	K61 E73 S77	K61-T75 VanDerWaalsContact NZ-CG2 3.29Å; K61-T75 PolarHBondContact NZ-OG1 2.86Å; E73-T75 HydrophobicContact CB-CG2 4.47Å; E73-T75 HydrophobicContact CG-CG2 3.84Å; E73-T75 PolarHBondContact O-N 3.26Å; T75-S77 PolarHBondContact O-N 2.85Å; T75-S77 PolarHBondContact OG1-N 2.87Å
76	C	96.4	Very high	92.5	Very high	73 Å²	73	39 Å²	39	49%	0.493	25%	0.245	S	C	.	.	S	Bend	trans	-72.2	-14.9	173.7	-59.3	0	0	0	0	113.6	N107	C76-N107 PolarHBondContact O-N 3.45Å; C76-N107 PolarHBondContact O-OD1 3.45Å
77	S	96.9	Very high	92.8	Very high	50 Å²	50	37.1 Å²	37.1	35%	0.35	24%	0.238	S	C	.	.	S	Bend	trans	-63.8	150.4	175.6	-56.7	0	0	0	0	111.7	T75 T79	T75-S77 PolarHBondContact O-N 2.85Å; T75-S77 PolarHBondContact OG1-N 2.87Å; S77-T79 PolarHBondContact O-N 3.42Å; S77-T79 VanDerWaalsContact O-N 3.11Å; S77-T79 PolarHBondContact O-OG1 3.46Å
78	P	97.6	Very high	93.4	Very high	38 Å²	38	35.1 Å²	35.1	25%	0.247	22%	0.215	C	C	.	.			trans	-51.5	119.1	169.4	-27.4	36.5	0	0	0	111.3	H60 K61 Y104 Y105 V106	H60-P78 HydrophobicContact CB-CB 4.46Å; K61-P78 PolarHBondContact N-O 2.89Å; P78-Y104 HydrophobicContact CB-CE2 3.85Å; P78-Y105 CarbonylContact C-O 3.15Å; P78-Y105 WeakPolarHBondContact CA-O 3.22Å; P78-V106 HydrophobicContact CB-CG2 4.46Å
79	T	98	Very high	93.9	Very high	1 Å²	1	34.7 Å²	34.7	1%	0.006	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	133.4	-174.6	-53.4	0	0	0	0	109.5	K61 I63 L74 S77 I81 Y105	K61-T79 HydrophobicContact CB-CG2 4.13Å; K61-T79 CarbonylContact O-C 3.59Å; K61-T79 WeakPolarHBondContact O-CA 3.37Å; I63-T79 HydrophobicContact CD1-CG2 3.89Å; I63-T79 HydrophobicContact CG1-CG2 3.9Å; L74-T79 HydrophobicContact CD1-CG2 4.09Å; S77-T79 PolarHBondContact O-N 3.42Å; S77-T79 VanDerWaalsContact O-N 3.11Å; S77-T79 PolarHBondContact O-OG1 3.46Å; T79-I81 HydrophobicContact CG2-CG1 4.43Å; T79-Y105 PolarHBondContact N-O 3.46Å; T79-Y105 PolarHBondContact O-N 3.36Å
80	W	98.1	Very high	94.7	Very high	0 Å²	0	30 Å²	30	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	133.7	169.7	-59.1	89.5	0	0	0	109.4	A2 F6 V7 I53 F57 H60 K61 I62 I63 I82 I102 A103 Y104	A2-W80 HydrophobicContact CB-CH2 3.4Å; A2-W80 HydrophobicContact CB-CZ2 3.63Å; F6-W80 AromaticContact CD1-CH2 3.95Å; F6-W80 HydrophobicContact CD1-CH2 3.95Å; F6-W80 AromaticContact CE1-CH2 3.87Å; F6-W80 HydrophobicContact CE1-CH2 3.87Å; F6-W80 HydrophobicContact CE1-CZ2 4.24Å; V7-W80 HydrophobicContact CG1-CZ3 4.46Å; V7-W80 HydrophobicContact CG2-CH2 3.87Å; V7-W80 HydrophobicContact CG2-CZ3 3.64Å; I53-W80 HydrophobicContact CD1-CB 4.06Å; I53-W80 HydrophobicContact CD1-CD2 3.8Å; I53-W80 HydrophobicContact CD1-CE3 3.95Å; I53-W80 HydrophobicContact CD1-CG 3.87Å; I53-W80 HydrophobicContact CG1-CD2 4.23Å; I53-W80 HydrophobicContact CG2-CD2 4.12Å; I53-W80 HydrophobicContact CG2-CG 3.86Å; I53-W80 VanDerWaalsContact CG2-NE1 3.25Å; F57-W80 AromaticContact CD2-CZ2 3.73Å; F57-W80 HydrophobicContact CD2-CZ2 3.73Å; F57-W80 HydrophobicContact CE2-CH2 4.41Å; F57-W80 AromaticContact CE2-CZ2 3.8Å; F57-W80 HydrophobicContact CE2-CZ2 3.8Å; H60-W80 AromaticContact CG-NE1 3.71Å; H60-W80 AromaticContact ND1-CD1 3.89Å; H60-W80 AromaticContact ND1-CE2 3.83Å; H60-W80 AromaticContact ND1-NE1 3.02Å; H60-W80 PolarHBondContact ND1-NE1 3.26Å; K61-W80 PolarHBondContact O-N 3.38Å; I62-W80 CarbonylContact C-O 3.59Å; I62-W80 WeakPolarHBondContact CA-O 3.45Å; I62-W80 HydrophobicContact CG1-CB 4.32Å; I63-W80 PolarHBondContact N-O 3.44Å; W80-I82 HydrophobicContact CB-CD1 4.33Å; W80-I82 HydrophobicContact CB-CG1 4.43Å; W80-I102 HydrophobicContact CE3-CG2 4.04Å; W80-I102 HydrophobicContact CZ3-CG2 4.31Å; W80-A103 CarbonylContact C-O 3.59Å; W80-A103 VanDerWaalsContact CA-O 3.31Å; W80-A103 WeakPolarHBondContact CA-O 3.44Å; W80-Y104 AromaticContact CD2-CD2 3.75Å; W80-Y104 HydrophobicContact CD2-CD2 3.75Å; W80-Y104 HydrophobicContact CD2-CG 4.45Å; W80-Y104 AromaticContact CE2-CD2 3.62Å; W80-Y104 HydrophobicContact CE3-CD2 4.06Å; W80-Y104 HydrophobicContact CE3-CG 4.31Å; W80-Y104 HydrophobicContact CG-CD2 4.31Å; W80-Y104 HydrophobicContact CH2-CD2 4.18Å; W80-Y104 HydrophobicContact CH2-CG 4.24Å; W80-Y104 AromaticContact CZ2-CD2 3.87Å; W80-Y104 HydrophobicContact CZ2-CD2 3.87Å; W80-Y104 HydrophobicContact CZ2-CE2 4.21Å; W80-Y104 HydrophobicContact CZ2-CG 4.36Å; W80-Y104 HydrophobicContact CZ3-CD2 4.26Å; W80-Y104 HydrophobicContact CZ3-CG 4.21Å
81	I	98.2	Very high	95.6	Very high	1 Å²	1	27.9 Å²	27.9	1%	0.005	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	121.9	175.2	-50.9	179.5	0	0	0	107.2	I63 L74 T79 A103 Y105 W211 A214 L237	I63-I81 HydrophobicContact CB-CG1 4.39Å; I63-I81 HydrophobicContact CB-CG2 4.46Å; I63-I81 HydrophobicContact CD1-CG1 4.39Å; I63-I81 CarbonylContact O-C 3.56Å; I63-I81 VanDerWaalsContact O-CA 3.28Å; I63-I81 WeakPolarHBondContact O-CA 3.45Å; L74-I81 HydrophobicContact CD1-CD1 4.46Å; T79-I81 HydrophobicContact CG2-CG1 4.43Å; I81-A103 HydrophobicContact CB-CB 4.42Å; I81-A103 PolarHBondContact N-O 3.01Å; I81-A103 PolarHBondContact O-N 3.21Å; I81-Y105 HydrophobicContact CD1-CD2 3.9Å; I81-Y105 HydrophobicContact CD1-CE2 3.96Å; I81-Y105 HydrophobicContact CD1-CG 4.38Å; I81-Y105 HydrophobicContact CG1-CD2 4.31Å; I81-W211 HydrophobicContact CG2-CB 3.93Å; I81-A214 HydrophobicContact CB-CB 4.01Å; I81-A214 HydrophobicContact CD1-CB 3.8Å; I81-A214 HydrophobicContact CG1-CB 4.49Å; I81-A214 HydrophobicContact CG2-CB 3.86Å; I81-L237 HydrophobicContact CD1-CD1 4.22Å
82	I	98.5	Very high	96.1	Very high	0 Å²	0	24 Å²	24	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	127.9	-165.8	-57.9	159	0	0	0	109.8	I49 I53 I62 I63 A64 E65 W80 S101 I102 W211	I49-I82 HydrophobicContact CD1-CG2 4.03Å; I49-I82 HydrophobicContact CG2-CD1 3.63Å; I49-I82 HydrophobicContact CG2-CG1 4.09Å; I49-I82 HydrophobicContact CG2-CG2 4.02Å; I53-I82 HydrophobicContact CD1-CD1 3.73Å; I53-I82 HydrophobicContact CD1-CG1 4.48Å; I62-I82 HydrophobicContact CG2-CD1 3.75Å; I63-I82 PolarHBondContact O-N 3.41Å; A64-I82 WeakPolarHBondContact CA-O 3.46Å; A64-I82 HydrophobicContact CB-CB 4.08Å; E65-I82 PolarHBondContact N-O 2.92Å; W80-I82 HydrophobicContact CB-CD1 4.33Å; W80-I82 HydrophobicContact CB-CG1 4.43Å; I82-S101 WeakPolarHBondContact CA-O 3.5Å; I82-I102 HydrophobicContact CG1-CG2 4.41Å; I82-W211 VanDerWaalsContact O-CB 3.31Å; I82-W211 WeakPolarHBondContact O-CB 3.38Å
83	D	98.4	Very high	96.3	Very high	1 Å²	1	27.8 Å²	27.8	1%	0.005	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	115	157.8	-175.9	-30.1	0	0	0	107.3	I85 D86 S101 W211	D83-I85 VanDerWaalsContact C-N 3.34Å; D83-I85 PolarHBondContact OD1-N 3.4Å; D83-D86 PolarHBondContact OD1-N 3.14Å; D83-D86 WeakPolarHBondContact OD2-CA 3.44Å; D83-D86 VanDerWaalsContact OD2-CB 3.25Å; D83-D86 WeakPolarHBondContact OD2-CB 3.43Å; D83-S101 PolarHBondContact N-O 3.09Å; D83-S101 PolarHBondContact O-N 2.86Å; D83-W211 HydrophobicContact CB-CB 4.04Å; D83-W211 HydrophobicContact CB-CG 4.38Å
84	P	98	Very high	96.5	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	-36.8	-178.7	28.4	-34.8	0	0	0	112.7	I18 D42 V45 E46 E66	I18-P84 WeakPolarHBondContact CD1-O 3.41Å; D42-P84 HydrophobicContact CB-CG 4.42Å; D42-P84 WeakPolarHBondContact O-CB 3.42Å; V45-P84 HydrophobicContact CB-CB 3.95Å; V45-P84 HydrophobicContact CG1-CB 3.72Å; V45-P84 WeakPolarHBondContact CG1-O 3.35Å; E46-P84 HydrophobicContact CB-CB 3.89Å; E46-P84 HydrophobicContact CB-CG 4.02Å; E66-P84 HydrophobicContact CG-CG 4.01Å
85	I	97.9	Very high	96.5	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	86.7	-178.9	-54.7	-172.5	0	0	0	109.3	I18 V41 D42 D83 G87 T88 F91 V98 C99	I18-I85 HydrophobicContact CD1-CG1 3.94Å; I18-I85 HydrophobicContact CG1-CD1 4.01Å; I18-I85 HydrophobicContact CG1-CG1 3.96Å; V41-I85 HydrophobicContact CB-CD1 4.06Å; V41-I85 HydrophobicContact CG1-CD1 3.86Å; D42-I85 HydrophobicContact CB-CD1 4.27Å; D42-I85 HydrophobicContact CB-CG1 4.45Å; D42-I85 WeakPolarHBondContact OD1-CB 3.26Å; D83-I85 VanDerWaalsContact C-N 3.34Å; D83-I85 PolarHBondContact OD1-N 3.4Å; I85-G87 PolarHBondContact O-N 2.95Å; I85-T88 PolarHBondContact O-N 2.88Å; I85-T88 PolarHBondContact O-OG1 3.42Å; I85-F91 HydrophobicContact CG2-CB 4.18Å; I85-F91 HydrophobicContact CG2-CG 4.43Å; I85-V98 HydrophobicContact CG2-CG1 3.44Å; I85-V98 VanDerWaalsContact CG2-CG1 3.44Å; I85-C99 CarbonylContact C-O 3.56Å; I85-C99 WeakPolarHBondContact CA-O 3.44Å
86	D	97.9	Very high	96.6	Very high	14 Å²	14	32.3 Å²	32.3	8%	0.075	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71	122.8	168.8	178.3	22.5	0	0	0	108.1	D83 C99 S187 A188 A189	D83-D86 PolarHBondContact OD1-N 3.14Å; D83-D86 WeakPolarHBondContact OD2-CA 3.44Å; D83-D86 VanDerWaalsContact OD2-CB 3.25Å; D83-D86 WeakPolarHBondContact OD2-CB 3.43Å; D86-C99 PolarHBondContact N-O 2.71Å; D86-C99 PolarHBondContact O-N 2.86Å; D86-C99 VanDerWaalsContact O-N 3.13Å; D86-S187 VanDerWaalsContact CG-OG 3.28Å; D86-S187 WeakPolarHBondContact OD1-CA 3.36Å; D86-S187 WeakPolarHBondContact OD2-CA 2.92Å; D86-S187 VanDerWaalsContact OD2-CB 3.28Å; D86-S187 WeakPolarHBondContact OD2-CB 3.26Å; D86-S187 PolarHBondContact OD2-OG 3.19Å; D86-A188 PolarHBondContact OD2-N 3.4Å; D86-A188 VanDerWaalsContact OD2-N 3.1Å; D86-A189 HydrophobicContact CB-CB 4.43Å; D86-A189 WeakPolarHBondContact OD2-CB 3.44Å; D86-A189 PolarHBondContact OD2-N 3.2Å
87	G	96.4	Very high	96.7	Very high	9 Å²	9	30.8 Å²	30.8	9%	0.093	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	91.2	41.9	-172.3	0	0	0	0	0	114.2	I85 S89 N90 F91 G186	I85-G87 PolarHBondContact O-N 2.95Å; G87-S89 PolarHBondContact O-N 3.22Å; G87-S89 VanDerWaalsContact O-N 3.16Å; G87-N90 CarbonylContact O-C 3.6Å; G87-N90 WeakPolarHBondContact O-CA 3.49Å; G87-N90 VanDerWaalsContact O-CB 3.24Å; G87-N90 WeakPolarHBondContact O-CB 3.26Å; G87-N90 PolarHBondContact O-N 2.94Å; G87-F91 PolarHBondContact O-N 3.23Å; G87-G186 WeakPolarHBondContact CA-O 3.28Å
88	T	95.5	Very high	96.8	Very high	11 Å²	11	28.4 Å²	28.4	7%	0.067	16%	0.155	C	C	.	.	H	α-helix	trans	-52.3	-36.1	173.4	-46	0	0	0	0	113	L37 T39 D42 I85 N90 F91 V92	L37-T88 HydrophobicContact CB-CG2 4.19Å; L37-T88 WeakPolarHBondContact O-CG2 3.08Å; T39-T88 HydrophobicContact CG2-CG2 4.05Å; D42-T88 WeakPolarHBondContact OD1-CG2 3.31Å; D42-T88 PolarHBondContact OD1-OG1 3.11Å; I85-T88 PolarHBondContact O-N 2.88Å; I85-T88 PolarHBondContact O-OG1 3.42Å; T88-N90 VanDerWaalsContact C-N 3.34Å; T88-N90 PolarHBondContact O-N 3.34Å; T88-F91 WeakPolarHBondContact O-CB 3.28Å; T88-F91 PolarHBondContact O-N 2.94Å; T88-V92 WeakPolarHBondContact O-CG2 3.18Å; T88-V92 PolarHBondContact O-N 3.29Å
89	S	94.7	Very high	96.8	Very high	59 Å²	59	26.6 Å²	26.6	41%	0.413	14%	0.143	S	C	.	.	H	α-helix	trans	-62.6	-40	174.2	-166.8	0	0	0	0	112.8	G87 S93	G87-S89 PolarHBondContact O-N 3.22Å; G87-S89 VanDerWaalsContact O-N 3.16Å; S89-S93 WeakPolarHBondContact O-CB 3.45Å; S89-S93 PolarHBondContact O-N 2.9Å; S89-S93 VanDerWaalsContact O-N 3.08Å; S89-S93 PolarHBondContact O-OG 2.93Å
90	N	96.3	Very high	96.9	Very high	17 Å²	17	26.5 Å²	26.5	9%	0.091	14%	0.143	C	C	.	.	H	α-helix	trans	-65.9	-41.6	173	-74.6	-16	0	0	0	111.3	G87 T88 S93 R94 F95 F97 V98 M185 G186	G87-N90 CarbonylContact O-C 3.6Å; G87-N90 WeakPolarHBondContact O-CA 3.49Å; G87-N90 VanDerWaalsContact O-CB 3.24Å; G87-N90 WeakPolarHBondContact O-CB 3.26Å; G87-N90 PolarHBondContact O-N 2.94Å; T88-N90 VanDerWaalsContact C-N 3.34Å; T88-N90 PolarHBondContact O-N 3.34Å; N90-S93 CarbonylContact O-C 3.44Å; N90-S93 PolarHBondContact O-N 3.44Å; N90-R94 CarbonylContact O-C 3.55Å; N90-R94 WeakPolarHBondContact O-CA 3.18Å; N90-R94 PolarHBondContact O-N 2.91Å; N90-F95 HydrophobicContact CB-CB 3.94Å; N90-F95 HydrophobicContact CB-CD1 4.45Å; N90-F95 PolarHBondContact O-N 3.37Å; N90-F95 WeakPolarHBondContact OD1-CD1 3.32Å; N90-F97 PolarHBondContact ND2-O 2.8Å; N90-V98 HydrophobicContact CB-CG2 3.8Å; N90-M185 PolarHBondContact ND2-O 3.32Å; N90-G186 WeakPolarHBondContact ND2-CA 3.14Å; N90-G186 PolarHBondContact ND2-O 3.41Å
91	F	96.3	Very high	96.9	Very high	7 Å²	7	26.6 Å²	26.6	3%	0.031	14%	0.143	C	C	.	.	H	α-helix	trans	-57.8	-49.8	176.6	177.1	-98.1	0	0	0	111.6	I18 F22 I26 T39 V41 I85 G87 T88 S93 R94 V98	I18-F91 HydrophobicContact CG2-CD2 4Å; I18-F91 HydrophobicContact CG2-CE2 3.97Å; I18-F91 WeakPolarHBondContact O-CE2 3.41Å; F22-F91 HydrophobicContact CB-CD2 4.16Å; F22-F91 HydrophobicContact CB-CE2 3.84Å; F22-F91 AromaticContact CD2-CD2 3.89Å; F22-F91 HydrophobicContact CD2-CD2 3.89Å; F22-F91 HydrophobicContact CD2-CE2 4.42Å; F22-F91 VanDerWaalsContact N-CE2 3.32Å; I26-F91 HydrophobicContact CD1-CE1 4.36Å; I26-F91 HydrophobicContact CD1-CZ 4.15Å; T39-F91 HydrophobicContact CG2-CD1 3.98Å; T39-F91 HydrophobicContact CG2-CE1 4.02Å; V41-F91 HydrophobicContact CB-CE1 4.24Å; V41-F91 HydrophobicContact CB-CZ 3.99Å; V41-F91 HydrophobicContact CG1-CZ 4.13Å; V41-F91 HydrophobicContact CG2-CE1 4.16Å; V41-F91 HydrophobicContact CG2-CZ 3.87Å; I85-F91 HydrophobicContact CG2-CB 4.18Å; I85-F91 HydrophobicContact CG2-CG 4.43Å; G87-F91 PolarHBondContact O-N 3.23Å; T88-F91 WeakPolarHBondContact O-CB 3.28Å; T88-F91 PolarHBondContact O-N 2.94Å; F91-S93 VanDerWaalsContact C-N 3.3Å; F91-S93 PolarHBondContact O-N 3.46Å; F91-R94 PolarHBondContact O-N 2.82Å; F91-V98 HydrophobicContact CB-CG1 4.11Å; F91-V98 HydrophobicContact CB-CG2 3.96Å; F91-V98 HydrophobicContact CD2-CG1 4.22Å
92	V	93.8	Very high	96.9	Very high	45 Å²	45	26.5 Å²	26.5	27%	0.273	14%	0.143	S	C	.	.	H	α-helix	trans	-60.1	-40.4	176.5	171.2	0	0	0	0	111.6	Y28 L37 T39 T88 R94	Y28-V92 HydrophobicContact CD1-CG1 3.54Å; Y28-V92 HydrophobicContact CD1-CG2 4.11Å; Y28-V92 HydrophobicContact CE1-CG1 3.73Å; Y28-V92 HydrophobicContact CG-CG1 4.26Å; Y28-V92 HydrophobicContact CG-CG2 4.15Å; L37-V92 HydrophobicContact CD1-CB 4.33Å; L37-V92 HydrophobicContact CD1-CG1 4.41Å; L37-V92 HydrophobicContact CD1-CG2 4.13Å; T39-V92 HydrophobicContact CG2-CG2 3.86Å; T88-V92 WeakPolarHBondContact O-CG2 3.18Å; T88-V92 PolarHBondContact O-N 3.29Å; V92-R94 VanDerWaalsContact C-N 3.34Å
93	S	92.8	Very high	96.9	Very high	85 Å²	85	26.6 Å²	26.6	59%	0.594	14%	0.144	S	C	*	.	H	α-helix	trans	-86.3	-2	-177.2	-55	0	0	0	0	114.2	S89 N90 F91 F95	S89-S93 WeakPolarHBondContact O-CB 3.45Å; S89-S93 PolarHBondContact O-N 2.9Å; S89-S93 VanDerWaalsContact O-N 3.08Å; S89-S93 PolarHBondContact O-OG 2.93Å; N90-S93 CarbonylContact O-C 3.44Å; N90-S93 PolarHBondContact O-N 3.44Å; F91-S93 VanDerWaalsContact C-N 3.3Å; F91-S93 PolarHBondContact O-N 3.46Å; S93-F95 PolarHBondContact O-N 2.86Å
94	R	94.3	Very high	96.9	Very high	132 Å²	132	27 Å²	27	50%	0.498	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	56	31.3	-171.5	-53.5	-179.8	-176.9	169.4	2.4	114.1	F22 K24 N90 F91 V92	F22-R94 HydrophobicContact CE1-CB 4.15Å; F22-R94 VanDerWaalsContact CE2-CA 3.49Å; F22-R94 HydrophobicContact CE2-CB 4.28Å; F22-R94 VanDerWaalsContact CZ-CA 3.43Å; F22-R94 HydrophobicContact CZ-CB 3.88Å; F22-R94 WeakPolarHBondContact CZ-O 3.24Å; K24-R94 VanDerWaalsContact C-NH2 3.27Å; K24-R94 PolarHBondContact O-NH2 2.91Å; K24-R94 VanDerWaalsContact O-NH2 3.1Å; N90-R94 CarbonylContact O-C 3.55Å; N90-R94 WeakPolarHBondContact O-CA 3.18Å; N90-R94 PolarHBondContact O-N 2.91Å; F91-R94 PolarHBondContact O-N 2.82Å; V92-R94 VanDerWaalsContact C-N 3.34Å
95	F	96.2	Very high	96.9	Very high	93 Å²	93	27.2 Å²	27.2	41%	0.408	15%	0.146	S	C	.	.			trans	-79.2	130.7	169.6	-164	-108.6	0	0	0	108.5	N90 S93 F97	N90-F95 HydrophobicContact CB-CB 3.94Å; N90-F95 HydrophobicContact CB-CD1 4.45Å; N90-F95 PolarHBondContact O-N 3.37Å; N90-F95 WeakPolarHBondContact OD1-CD1 3.32Å; S93-F95 PolarHBondContact O-N 2.86Å; F95-F97 HydrophobicContact CD1-CB 4.32Å; F95-F97 AromaticContact CD1-CD2 3.68Å; F95-F97 HydrophobicContact CD1-CD2 3.68Å; F95-F97 HydrophobicContact CD1-CG 4.48Å; F95-F97 HydrophobicContact CE1-CB 4.46Å; F95-F97 AromaticContact CE1-CD2 3.28Å; F95-F97 HydrophobicContact CE1-CD2 3.28Å; F95-F97 AromaticContact CE1-CE2 3.83Å; F95-F97 HydrophobicContact CE1-CE2 3.83Å; F95-F97 HydrophobicContact CE1-CG 4.24Å; F95-F97 AromaticContact CZ-CD2 3.96Å; F95-F97 HydrophobicContact CZ-CD2 3.96Å; F95-F97 HydrophobicContact CZ-CE2 4.06Å; F95-F97 PolarHBondContact O-N 2.88Å
96	P	97.1	Very high	96.9	Very high	42 Å²	42	28.8 Å²	28.8	27%	0.273	16%	0.155	S	C	.	.	S	Bend	trans	-79.7	14.1	-159.6	32.8	-38.2	0	0	0	115.3	N117 I119 L120	P96-N117 PolarHBondContact O-ND2 3.46Å; P96-I119 HydrophobicContact CB-CG2 3.87Å; P96-L120 HydrophobicContact CB-CD2 4.09Å; P96-L120 HydrophobicContact CB-CG 4.32Å; P96-L120 WeakPolarHBondContact O-CD1 3.37Å; P96-L120 WeakPolarHBondContact O-CG 3.39Å
97	F	98.1	Very high	96.8	Very high	41 Å²	41	33.2 Å²	33.2	18%	0.18	18%	0.179	C	C	.	.			trans	-104.3	75.6	178.7	-65.3	-89.6	0	0	0	109.5	N90 F95 L120 W122 M185 L190	N90-F97 PolarHBondContact ND2-O 2.8Å; F95-F97 HydrophobicContact CD1-CB 4.32Å; F95-F97 AromaticContact CD1-CD2 3.68Å; F95-F97 HydrophobicContact CD1-CD2 3.68Å; F95-F97 HydrophobicContact CD1-CG 4.48Å; F95-F97 HydrophobicContact CE1-CB 4.46Å; F95-F97 AromaticContact CE1-CD2 3.28Å; F95-F97 HydrophobicContact CE1-CD2 3.28Å; F95-F97 AromaticContact CE1-CE2 3.83Å; F95-F97 HydrophobicContact CE1-CE2 3.83Å; F95-F97 HydrophobicContact CE1-CG 4.24Å; F95-F97 AromaticContact CZ-CD2 3.96Å; F95-F97 HydrophobicContact CZ-CD2 3.96Å; F95-F97 HydrophobicContact CZ-CE2 4.06Å; F95-F97 PolarHBondContact O-N 2.88Å; F97-L120 HydrophobicContact CD1-CD1 4.33Å; F97-L120 HydrophobicContact CE1-CD1 4.14Å; F97-L120 HydrophobicContact CZ-CD1 4.48Å; F97-W122 HydrophobicContact CD1-CZ3 4.35Å; F97-W122 HydrophobicContact CE1-CH2 4.18Å; F97-W122 AromaticContact CE1-CZ3 3.89Å; F97-W122 HydrophobicContact CE1-CZ3 3.89Å; F97-M185 HydrophobicContact CB-CB 4.41Å; F97-M185 WeakPolarHBondContact CB-O 3.45Å; F97-M185 HydrophobicContact CD1-CB 4.24Å; F97-M185 HydrophobicContact CD1-CG 4.39Å; F97-M185 HydrophobicContact CD1-SD 3.72Å; F97-M185 HydrophobicContact CE1-CG 4.41Å; F97-M185 HydrophobicContact CE1-SD 3.51Å; F97-M185 VanDerWaalsContact CE1-SD 3.51Å; F97-M185 HydrophobicContact CG-CB 4.2Å; F97-M185 HydrophobicContact CZ-SD 4.18Å; F97-L190 HydrophobicContact CB-CD1 3.87Å; F97-L190 HydrophobicContact CD1-CD1 4.27Å
98	V	98	Very high	96.8	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.199	C	C	.	.			trans	-129.2	134	179.9	-178.6	0	0	0	0	107.1	I18 F22 I85 N90 F91 N117 P118	I18-V98 HydrophobicContact CG2-CG1 3.87Å; F22-V98 HydrophobicContact CD2-CG2 4.35Å; F22-V98 HydrophobicContact CE2-CG2 4.03Å; I85-V98 HydrophobicContact CG2-CG1 3.44Å; I85-V98 VanDerWaalsContact CG2-CG1 3.44Å; N90-V98 HydrophobicContact CB-CG2 3.8Å; F91-V98 HydrophobicContact CB-CG1 4.11Å; F91-V98 HydrophobicContact CB-CG2 3.96Å; F91-V98 HydrophobicContact CD2-CG1 4.22Å; V98-N117 VanDerWaalsContact O-CA 3.3Å; V98-N117 WeakPolarHBondContact O-CA 3.47Å; V98-N117 WeakPolarHBondContact O-CB 3.46Å; V98-N117 PolarHBondContact O-ND2 3Å; V98-N117 PolarHBondContact O-OD1 3.06Å; V98-P118 WeakPolarHBondContact O-CD 3.42Å
99	C	98.7	Very high	96.9	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	159.2	177.3	63.6	0	0	0	0	113.7	I85 D86 V115 Y116 N117 L190	I85-C99 CarbonylContact C-O 3.56Å; I85-C99 WeakPolarHBondContact CA-O 3.44Å; D86-C99 PolarHBondContact N-O 2.71Å; D86-C99 PolarHBondContact O-N 2.86Å; D86-C99 VanDerWaalsContact O-N 3.13Å; C99-V115 HydrophobicContact CB-CG1 3.97Å; C99-Y116 CarbonylContact C-O 3.59Å; C99-Y116 WeakPolarHBondContact CA-O 3.31Å; C99-Y116 WeakPolarHBondContact CB-O 3.32Å; C99-N117 HydrophobicContact CB-CB 4.28Å; C99-L190 HydrophobicContact CB-CD1 4.17Å; C99-L190 HydrophobicContact CB-CD2 4.09Å; C99-L190 HydrophobicContact CB-CG 4.06Å
100	V	98.8	Very high	97	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	136	160.6	57.9	0	0	0	0	108.4	A11 A14 I18 I49 I102 V115 Y116	A11-V100 HydrophobicContact CB-CG1 3.95Å; A14-V100 HydrophobicContact CB-CG1 4.41Å; A14-V100 HydrophobicContact CB-CG2 4.23Å; I18-V100 HydrophobicContact CD1-CB 4.08Å; I49-V100 HydrophobicContact CD1-CG2 3.59Å; V100-I102 HydrophobicContact CG2-CD1 4.1Å; V100-I102 HydrophobicContact CG2-CG1 3.93Å; V100-V115 WeakPolarHBondContact O-CA 3.38Å; V100-Y116 HydrophobicContact CG1-CD1 4.33Å; V100-Y116 PolarHBondContact N-O 3.18Å; V100-Y116 PolarHBondContact O-N 2.83Å
101	S	98.8	Very high	97.1	Very high	1 Å²	1	41.5 Å²	41.5	1%	0.007	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	123.6	178.7	170.8	0	0	0	0	109.5	I82 D83 W211 A215	I82-S101 WeakPolarHBondContact CA-O 3.5Å; D83-S101 PolarHBondContact N-O 3.09Å; D83-S101 PolarHBondContact O-N 2.86Å; S101-W211 PolarHBondContact OG-O 3.16Å; S101-A215 VanDerWaalsContact OG-CB 3.24Å; S101-A215 WeakPolarHBondContact OG-CB 3.09Å
102	I	98.8	Very high	97.2	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	123.5	-177.6	-50	176.9	0	0	0	108.7	V7 L10 A11 I49 W80 I82 V100 A113 V114	V7-I102 HydrophobicContact CG1-CB 3.95Å; V7-I102 HydrophobicContact CG1-CG2 3.75Å; L10-I102 HydrophobicContact CD2-CD1 4.23Å; L10-I102 HydrophobicContact CG-CD1 4.21Å; A11-I102 HydrophobicContact CB-CD1 4.12Å; I49-I102 HydrophobicContact CD1-CD1 4.15Å; I49-I102 HydrophobicContact CG2-CD1 4.15Å; W80-I102 HydrophobicContact CE3-CG2 4.04Å; W80-I102 HydrophobicContact CZ3-CG2 4.31Å; I82-I102 HydrophobicContact CG1-CG2 4.41Å; V100-I102 HydrophobicContact CG2-CD1 4.1Å; V100-I102 HydrophobicContact CG2-CG1 3.93Å; I102-A113 CarbonylContact O-C 3.5Å; I102-A113 WeakPolarHBondContact O-CA 3.28Å; I102-V114 PolarHBondContact N-O 3.34Å; I102-V114 PolarHBondContact O-N 3.14Å
103	A	98.6	Very high	97.4	Very high	1 Å²	1	39.7 Å²	39.7	1%	0.008	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	144.6	175	0	0	0	0	0	111.3	W80 I81 Y105 A214 A215	W80-A103 CarbonylContact C-O 3.59Å; W80-A103 VanDerWaalsContact CA-O 3.31Å; W80-A103 WeakPolarHBondContact CA-O 3.44Å; I81-A103 HydrophobicContact CB-CB 4.42Å; I81-A103 PolarHBondContact N-O 3.01Å; I81-A103 PolarHBondContact O-N 3.21Å; A103-Y105 HydrophobicContact CB-CD2 4Å; A103-Y105 HydrophobicContact CB-CE2 3.57Å; A103-A214 HydrophobicContact CB-CB 4.06Å; A103-A215 HydrophobicContact CB-CB 3.89Å
104	Y	98.4	Very high	97.7	Very high	10 Å²	10	35.6 Å²	35.6	4%	0.039	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	121.7	175.2	177.4	-122	0	0	0	109.8	A2 H60 P78 W80 V106 E111 L112	A2-Y104 HydrophobicContact CB-CD1 4.05Å; A2-Y104 HydrophobicContact CB-CE1 4.03Å; A2-Y104 HydrophobicContact CB-CG 4.39Å; H60-Y104 AromaticContact CE1-CE2 3.7Å; H60-Y104 AromaticContact CE1-CZ 3.89Å; H60-Y104 PolarHBondContact CE1-OH 2.92Å; H60-Y104 AromaticContact ND1-CE2 3.6Å; P78-Y104 HydrophobicContact CB-CE2 3.85Å; W80-Y104 AromaticContact CD2-CD2 3.75Å; W80-Y104 HydrophobicContact CD2-CD2 3.75Å; W80-Y104 HydrophobicContact CD2-CG 4.45Å; W80-Y104 AromaticContact CE2-CD2 3.62Å; W80-Y104 HydrophobicContact CE3-CD2 4.06Å; W80-Y104 HydrophobicContact CE3-CG 4.31Å; W80-Y104 HydrophobicContact CG-CD2 4.31Å; W80-Y104 HydrophobicContact CH2-CD2 4.18Å; W80-Y104 HydrophobicContact CH2-CG 4.24Å; W80-Y104 AromaticContact CZ2-CD2 3.87Å; W80-Y104 HydrophobicContact CZ2-CD2 3.87Å; W80-Y104 HydrophobicContact CZ2-CE2 4.21Å; W80-Y104 HydrophobicContact CZ2-CG 4.36Å; W80-Y104 HydrophobicContact CZ3-CD2 4.26Å; W80-Y104 HydrophobicContact CZ3-CG 4.21Å; Y104-V106 HydrophobicContact CE1-CG2 3.7Å; Y104-V106 HydrophobicContact CE2-CG2 4.22Å; Y104-V106 WeakPolarHBondContact OH-CG2 3.44Å; Y104-E111 HydrophobicContact CD1-CB 3.96Å; Y104-E111 HydrophobicContact CE1-CB 4.39Å; Y104-E111 PolarHBondContact O-N 2.8Å; Y104-L112 HydrophobicContact CD1-CD1 4.12Å; Y104-L112 HydrophobicContact CD1-CG 4.35Å; Y104-L112 PolarHBondContact N-O 2.87Å; Y104-L112 PolarHBondContact O-N 2.92Å
105	Y	98.1	Very high	97.9	Very high	4 Å²	4	29.3 Å²	29.3	2%	0.016	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	142.1	-176.9	-79.7	-112.9	0	0	0	110.8	L74 P78 T79 I81 A103 E109 P110 A214 L237	L74-Y105 HydrophobicContact CD1-CD1 4.39Å; L74-Y105 HydrophobicContact CD1-CG 4.31Å; L74-Y105 HydrophobicContact CD2-CD1 3.8Å; L74-Y105 HydrophobicContact CD2-CE1 4.2Å; L74-Y105 HydrophobicContact CD2-CG 4.48Å; P78-Y105 CarbonylContact C-O 3.15Å; P78-Y105 WeakPolarHBondContact CA-O 3.22Å; T79-Y105 PolarHBondContact N-O 3.46Å; T79-Y105 PolarHBondContact O-N 3.36Å; I81-Y105 HydrophobicContact CD1-CD2 3.9Å; I81-Y105 HydrophobicContact CD1-CE2 3.96Å; I81-Y105 HydrophobicContact CD1-CG 4.38Å; I81-Y105 HydrophobicContact CG1-CD2 4.31Å; A103-Y105 HydrophobicContact CB-CD2 4Å; A103-Y105 HydrophobicContact CB-CE2 3.57Å; Y105-E109 VanDerWaalsContact CA-O 3.31Å; Y105-E109 WeakPolarHBondContact CA-O 3.47Å; Y105-E109 VanDerWaalsContact CD1-C 3.47Å; Y105-P110 HydrophobicContact CD1-CB 4.2Å; Y105-P110 HydrophobicContact CD2-CB 4.35Å; Y105-P110 HydrophobicContact CE1-CB 3.69Å; Y105-P110 VanDerWaalsContact CE1-CD 3.46Å; Y105-P110 HydrophobicContact CE1-CG 3.96Å; Y105-P110 HydrophobicContact CE2-CB 3.84Å; Y105-P110 HydrophobicContact CG-CB 4.5Å; Y105-P110 VanDerWaalsContact CZ-CB 3.48Å; Y105-A214 HydrophobicContact CE2-CB 3.93Å; Y105-A214 PolarHBondContact OH-O 3.02Å; Y105-L237 HydrophobicContact CD1-CD1 4.33Å; Y105-L237 HydrophobicContact CE1-CD1 3.43Å; Y105-L237 VanDerWaalsContact CE1-CD1 3.43Å; Y105-L237 HydrophobicContact CE2-CD1 4.43Å; Y105-L237 WeakPolarHBondContact OH-CD1 3.34Å
106	V	97.4	Very high	98.1	Very high	33 Å²	33	26 Å²	26	20%	0.2	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	137.2	171.4	-179.1	0	0	0	0	107.4	P78 Y104 K108 E109 E111	P78-V106 HydrophobicContact CB-CG2 4.46Å; Y104-V106 HydrophobicContact CE1-CG2 3.7Å; Y104-V106 HydrophobicContact CE2-CG2 4.22Å; Y104-V106 WeakPolarHBondContact OH-CG2 3.44Å; V106-K108 PolarHBondContact O-N 3.39Å; V106-E109 PolarHBondContact N-O 3.12Å; V106-E109 VanDerWaalsContact O-CB 3.28Å; V106-E109 WeakPolarHBondContact O-CB 3Å; V106-E109 PolarHBondContact O-N 3.11Å; V106-E109 VanDerWaalsContact O-O 3.12Å; V106-E111 HydrophobicContact CB-CG 3.99Å; V106-E111 HydrophobicContact CG2-CG 3.95Å
107	N	96.5	Very high	98.1	Very high	108 Å²	108	24 Å²	24	58%	0.578	12%	0.115	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.2	36.5	-177.1	-61.3	-42.6	0	0	0	113.9	C76 E109	C76-N107 PolarHBondContact O-N 3.45Å; C76-N107 PolarHBondContact O-OD1 3.45Å; N107-E109 WeakPolarHBondContact O-CG 3.5Å; N107-E109 PolarHBondContact O-N 2.98Å
108	K	96.2	Very high	98.1	Very high	114 Å²	114	22 Å²	22	50%	0.496	11%	0.106	S	C	.	.	T	Hydrogen-bonded Turn	trans	63	20.7	-176.1	-48.9	-171.4	-179.7	-163.7	0	115.1	L74 V106	L74-K108 HydrophobicContact CD2-CB 4.14Å; L74-K108 HydrophobicContact CG-CB 4.21Å; L74-K108 HydrophobicContact CG-CG 4.23Å; L74-K108 WeakPolarHBondContact O-CD 3.29Å; L74-K108 WeakPolarHBondContact O-CE 3.45Å; V106-K108 PolarHBondContact O-N 3.39Å
109	E	96.8	Very high	98.1	Very high	90 Å²	90	24 Å²	24	42%	0.421	12%	0.117	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	129.6	-168.2	-84.9	-61.9	160.7	0	0	108.9	Y105 V106 N107 E111 R128	Y105-E109 VanDerWaalsContact CA-O 3.31Å; Y105-E109 WeakPolarHBondContact CA-O 3.47Å; Y105-E109 VanDerWaalsContact CD1-C 3.47Å; V106-E109 PolarHBondContact N-O 3.12Å; V106-E109 VanDerWaalsContact O-CB 3.28Å; V106-E109 WeakPolarHBondContact O-CB 3Å; V106-E109 PolarHBondContact O-N 3.11Å; V106-E109 VanDerWaalsContact O-O 3.12Å; N107-E109 WeakPolarHBondContact O-CG 3.5Å; N107-E109 PolarHBondContact O-N 2.98Å; E109-E111 PolarHBondContact O-N 2.91Å; E109-R128 VanDerWaalsContact C-NH2 3.26Å; E109-R128 IonicContact OE2-CZ 3.17Å; E109-R128 IonicContact OE2-NH1 2.73Å; E109-R128 IonicContact OE2-NH2 3.73Å; E109-R128 PolarHBondContact OE2-NH2 2.86Å
110	P	97.2	Very high	98.1	Very high	4 Å²	4	26.7 Å²	26.7	3%	0.026	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	124	-174.1	23.8	-30.8	0	0	0	112.4	Y105 R128 L218	Y105-P110 HydrophobicContact CD1-CB 4.2Å; Y105-P110 HydrophobicContact CD2-CB 4.35Å; Y105-P110 HydrophobicContact CE1-CB 3.69Å; Y105-P110 VanDerWaalsContact CE1-CD 3.46Å; Y105-P110 HydrophobicContact CE1-CG 3.96Å; Y105-P110 HydrophobicContact CE2-CB 3.84Å; Y105-P110 HydrophobicContact CG-CB 4.5Å; Y105-P110 VanDerWaalsContact CZ-CB 3.48Å; P110-R128 PolarHBondContact O-NE 2.94Å; P110-R128 PolarHBondContact O-NH2 2.96Å; P110-L218 HydrophobicContact CB-CB 3.93Å; P110-L218 HydrophobicContact CB-CD1 4.11Å; P110-L218 HydrophobicContact CB-CD2 4.15Å; P110-L218 HydrophobicContact CB-CG 4.27Å; P110-L218 HydrophobicContact CG-CB 4.35Å; P110-L218 HydrophobicContact CG-CD1 4.14Å
111	E	98.2	Very high	98.1	Very high	62 Å²	62	30.6 Å²	30.6	29%	0.29	15%	0.148	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	-44.3	-179	-66.7	-62.4	142.8	0	0	112.6	Y104 V106 E109 R128	Y104-E111 HydrophobicContact CD1-CB 3.96Å; Y104-E111 HydrophobicContact CE1-CB 4.39Å; Y104-E111 PolarHBondContact O-N 2.8Å; V106-E111 HydrophobicContact CB-CG 3.99Å; V106-E111 HydrophobicContact CG2-CG 3.95Å; E109-E111 PolarHBondContact O-N 2.91Å; E111-R128 PolarHBondContact O-N 2.85Å; E111-R128 WeakPolarHBondContact OE1-CD 3.32Å; E111-R128 IonicContact OE1-CZ 3.83Å; E111-R128 IonicContact OE1-NE 3.92Å; E111-R128 PolarHBondContact OE1-NE 3.07Å; E111-R128 IonicContact OE1-NH1 2.75Å; E111-R128 PolarHBondContact OE1-NH1 2.76Å; E111-R128 IonicContact OE2-NE 4Å
112	L	98.1	Very high	98.1	Very high	13 Å²	13	34 Å²	34	7%	0.068	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	145.7	-179.1	-55.6	169	0	0	0	110.2	A2 I4 V7 Y104 I127	A2-L112 HydrophobicContact CB-CD1 4.03Å; A2-L112 WeakPolarHBondContact O-CD1 3.41Å; I4-L112 HydrophobicContact CB-CD2 4.39Å; V7-L112 HydrophobicContact CG2-CD1 4.37Å; Y104-L112 HydrophobicContact CD1-CD1 4.12Å; Y104-L112 HydrophobicContact CD1-CG 4.35Å; Y104-L112 PolarHBondContact N-O 2.87Å; Y104-L112 PolarHBondContact O-N 2.92Å; L112-I127 HydrophobicContact CD2-CB 4.11Å; L112-I127 HydrophobicContact CD2-CG1 3.77Å; L112-I127 HydrophobicContact CD2-CG2 3.74Å
113	A	98.7	Very high	98.1	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147	142.7	175.9	0	0	0	0	0	111.6	I102 H125 G126 A215 L218 I219	I102-A113 CarbonylContact O-C 3.5Å; I102-A113 WeakPolarHBondContact O-CA 3.28Å; A113-H125 CarbonylContact O-C 3.49Å; A113-H125 VanDerWaalsContact O-CA 3.24Å; A113-H125 WeakPolarHBondContact O-CA 3.26Å; A113-H125 WeakPolarHBondContact O-CB 3.32Å; A113-G126 PolarHBondContact N-O 3.1Å; A113-G126 PolarHBondContact O-N 3.39Å; A113-A215 HydrophobicContact CB-CB 3.94Å; A113-A215 WeakPolarHBondContact CB-O 3.44Å; A113-L218 HydrophobicContact CB-CB 3.9Å; A113-L218 HydrophobicContact CB-CD2 3.76Å; A113-L218 HydrophobicContact CB-CG 4.26Å; A113-I219 HydrophobicContact CB-CD1 4.29Å; A113-I219 HydrophobicContact CB-CG1 4.02Å
114	V	98.9	Very high	98.1	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	132	170.9	177	0	0	0	0	108.8	I4 V7 A11 I102 L123 F124 H125	I4-V114 HydrophobicContact CD1-CG2 3.76Å; V7-V114 HydrophobicContact CB-CG2 3.92Å; V7-V114 HydrophobicContact CG1-CB 3.94Å; V7-V114 HydrophobicContact CG1-CG2 3.6Å; A11-V114 HydrophobicContact CB-CB 4.4Å; A11-V114 HydrophobicContact CB-CG1 3.55Å; I102-V114 PolarHBondContact N-O 3.34Å; I102-V114 PolarHBondContact O-N 3.14Å; V114-L123 HydrophobicContact CG1-CD2 4.38Å; V114-L123 HydrophobicContact CG1-CG 4.4Å; V114-F124 WeakPolarHBondContact CA-O 3.39Å; V114-H125 HydrophobicContact CG2-CB 4.07Å
115	V	98.9	Very high	98.1	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	114.4	166.8	176.1	0	0	0	0	106.9	C99 V100 F124 A189 L190 A215 I219	C99-V115 HydrophobicContact CB-CG1 3.97Å; V100-V115 WeakPolarHBondContact O-CA 3.38Å; V115-F124 HydrophobicContact CB-CB 4.28Å; V115-F124 PolarHBondContact N-O 2.9Å; V115-F124 WeakPolarHBondContact O-CB 3.44Å; V115-F124 PolarHBondContact O-N 2.87Å; V115-A189 HydrophobicContact CG1-CB 3.9Å; V115-A189 HydrophobicContact CG2-CB 4.18Å; V115-L190 HydrophobicContact CG1-CD2 4.19Å; V115-A215 HydrophobicContact CG2-CB 3.77Å; V115-I219 HydrophobicContact CB-CD1 4.1Å; V115-I219 HydrophobicContact CG2-CD1 3.71Å
116	Y	98.9	Very high	98.1	Very high	22 Å²	22	35.2 Å²	35.2	9%	0.086	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	116	-175.4	178	-127	0	0	0	111.4	A11 V12 C99 V100 P118 W122 L123	A11-Y116 WeakPolarHBondContact O-CD1 3.29Å; V12-Y116 HydrophobicContact CG2-CE1 4.28Å; C99-Y116 CarbonylContact C-O 3.59Å; C99-Y116 WeakPolarHBondContact CA-O 3.31Å; C99-Y116 WeakPolarHBondContact CB-O 3.32Å; V100-Y116 HydrophobicContact CG1-CD1 4.33Å; V100-Y116 PolarHBondContact N-O 3.18Å; V100-Y116 PolarHBondContact O-N 2.83Å; Y116-P118 HydrophobicContact CD1-CB 4.29Å; Y116-P118 HydrophobicContact CE1-CB 3.72Å; Y116-P118 VanDerWaalsContact O-CD 3.25Å; Y116-P118 WeakPolarHBondContact O-CD 3.36Å; Y116-W122 WeakPolarHBondContact CA-O 3.49Å; Y116-W122 WeakPolarHBondContact CD2-O 3.46Å; Y116-L123 HydrophobicContact CD2-CB 3.71Å; Y116-L123 HydrophobicContact CD2-CD1 4.15Å; Y116-L123 HydrophobicContact CD2-CG 4.03Å; Y116-L123 HydrophobicContact CE2-CB 4.2Å
117	N	98.7	Very high	98.1	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	106.7	167.1	-179.3	-37.4	0	0	0	109.3	P96 V98 C99 I119 L120 K121 W122 L190	P96-N117 PolarHBondContact O-ND2 3.46Å; V98-N117 VanDerWaalsContact O-CA 3.3Å; V98-N117 WeakPolarHBondContact O-CA 3.47Å; V98-N117 WeakPolarHBondContact O-CB 3.46Å; V98-N117 PolarHBondContact O-ND2 3Å; V98-N117 PolarHBondContact O-OD1 3.06Å; C99-N117 HydrophobicContact CB-CB 4.28Å; N117-I119 VanDerWaalsContact C-N 3.3Å; N117-I119 PolarHBondContact O-N 3.29Å; N117-I119 WeakPolarHBondContact OD1-CA 3.24Å; N117-I119 WeakPolarHBondContact OD1-CB 3.33Å; N117-I119 PolarHBondContact OD1-N 2.93Å; N117-L120 PolarHBondContact OD1-N 3.22Å; N117-K121 VanDerWaalsContact O-CA 3.26Å; N117-K121 WeakPolarHBondContact O-CA 3.26Å; N117-K121 PolarHBondContact O-N 2.96Å; N117-W122 HydrophobicContact CB-CB 4.31Å; N117-W122 PolarHBondContact N-O 3.16Å; N117-W122 PolarHBondContact O-N 3Å; N117-W122 VanDerWaalsContact O-N 3.09Å; N117-L190 HydrophobicContact CB-CD1 4.37Å; N117-L190 HydrophobicContact CB-CD2 4.03Å
118	P	98.2	Very high	98.2	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-16.4	-177.8	30.7	-35.7	0	0	0	113.8	G15 I18 V98 Y116 K121	G15-P118 WeakPolarHBondContact O-CB 3.44Å; I18-P118 HydrophobicContact CB-CG 3.92Å; I18-P118 HydrophobicContact CD1-CG 4.43Å; I18-P118 HydrophobicContact CG2-CG 3.78Å; V98-P118 WeakPolarHBondContact O-CD 3.42Å; Y116-P118 HydrophobicContact CD1-CB 4.29Å; Y116-P118 HydrophobicContact CE1-CB 3.72Å; Y116-P118 VanDerWaalsContact O-CD 3.25Å; Y116-P118 WeakPolarHBondContact O-CD 3.36Å; P118-K121 VanDerWaalsContact O-CD 3.26Å; P118-K121 WeakPolarHBondContact O-CD 3.41Å; P118-K121 WeakPolarHBondContact O-CE 3.37Å; P118-K121 PolarHBondContact O-NZ 3.47Å
119	I	97.9	Very high	98.3	Very high	42 Å²	42	34 Å²	34	22%	0.215	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-45.3	-179.1	-50.5	-51.4	0	0	0	110.1	F22 P96 N117	F22-I119 HydrophobicContact CB-CD1 3.82Å; F22-I119 HydrophobicContact CD1-CD1 3.6Å; F22-I119 HydrophobicContact CD1-CG1 4.24Å; F22-I119 HydrophobicContact CD2-CD1 3.96Å; F22-I119 HydrophobicContact CD2-CG1 4.14Å; F22-I119 HydrophobicContact CE1-CD1 4.07Å; F22-I119 HydrophobicContact CE1-CG1 4.23Å; F22-I119 HydrophobicContact CE1-CG2 3.96Å; F22-I119 HydrophobicContact CE2-CD1 4.37Å; F22-I119 HydrophobicContact CE2-CG1 4.12Å; F22-I119 HydrophobicContact CG-CD1 3.53Å; F22-I119 HydrophobicContact CG-CG1 4.18Å; F22-I119 HydrophobicContact CZ-CD1 4.41Å; F22-I119 HydrophobicContact CZ-CG1 4.16Å; F22-I119 HydrophobicContact CZ-CG2 4.14Å; P96-I119 HydrophobicContact CB-CG2 3.87Å; N117-I119 VanDerWaalsContact C-N 3.3Å; N117-I119 PolarHBondContact O-N 3.29Å; N117-I119 WeakPolarHBondContact OD1-CA 3.24Å; N117-I119 WeakPolarHBondContact OD1-CB 3.33Å; N117-I119 PolarHBondContact OD1-N 2.93Å
120	L	98	Very high	98.4	Very high	56 Å²	56	35.8 Å²	35.8	29%	0.293	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93	-3.9	179.3	-59.3	178.2	0	0	0	113.1	P96 F97 N117 W122	P96-L120 HydrophobicContact CB-CD2 4.09Å; P96-L120 HydrophobicContact CB-CG 4.32Å; P96-L120 WeakPolarHBondContact O-CD1 3.37Å; P96-L120 WeakPolarHBondContact O-CG 3.39Å; F97-L120 HydrophobicContact CD1-CD1 4.33Å; F97-L120 HydrophobicContact CE1-CD1 4.14Å; F97-L120 HydrophobicContact CZ-CD1 4.48Å; N117-L120 PolarHBondContact OD1-N 3.22Å; L120-W122 VanDerWaalsContact C-N 3.28Å; L120-W122 HydrophobicContact CB-CD2 3.77Å; L120-W122 HydrophobicContact CB-CE3 4.1Å; L120-W122 HydrophobicContact CB-CG 4.12Å; L120-W122 HydrophobicContact CB-CZ2 4.25Å; L120-W122 HydrophobicContact CB-CZ3 4.48Å; L120-W122 HydrophobicContact CD1-CD2 4.22Å; L120-W122 HydrophobicContact CD1-CE3 3.79Å; L120-W122 HydrophobicContact CD1-CH2 3.44Å; L120-W122 VanDerWaalsContact CD1-CH2 3.44Å; L120-W122 HydrophobicContact CD1-CZ2 3.87Å; L120-W122 HydrophobicContact CD1-CZ3 3.38Å; L120-W122 PolarHBondContact O-N 3.44Å
121	K	98.2	Very high	98.4	Very high	83 Å²	83	36 Å²	36	36%	0.361	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	54	45.1	-176.7	-50.5	-61.8	178.6	-161.3	0	111.6	E19 N117 P118 N135	E19-K121 IonicContact OE1-NZ 3.42Å; E19-K121 PolarHBondContact OE1-NZ 3.38Å; E19-K121 IonicContact OE2-NZ 3.26Å; E19-K121 PolarHBondContact OE2-NZ 3.47Å; N117-K121 VanDerWaalsContact O-CA 3.26Å; N117-K121 WeakPolarHBondContact O-CA 3.26Å; N117-K121 PolarHBondContact O-N 2.96Å; P118-K121 VanDerWaalsContact O-CD 3.26Å; P118-K121 WeakPolarHBondContact O-CD 3.41Å; P118-K121 WeakPolarHBondContact O-CE 3.37Å; P118-K121 PolarHBondContact O-NZ 3.47Å; K121-N135 PolarHBondContact O-ND2 2.94Å; K121-N135 PolarHBondContact O-OD1 2.87Å
122	W	98.7	Very high	98.4	Very high	72 Å²	72	33 Å²	33	27%	0.273	16%	0.158	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	107.2	173.8	-64	-20.6	0	0	0	109.2	F97 Y116 N117 L120 F124 L134	F97-W122 HydrophobicContact CD1-CZ3 4.35Å; F97-W122 HydrophobicContact CE1-CH2 4.18Å; F97-W122 AromaticContact CE1-CZ3 3.89Å; F97-W122 HydrophobicContact CE1-CZ3 3.89Å; Y116-W122 WeakPolarHBondContact CA-O 3.49Å; Y116-W122 WeakPolarHBondContact CD2-O 3.46Å; N117-W122 HydrophobicContact CB-CB 4.31Å; N117-W122 PolarHBondContact N-O 3.16Å; N117-W122 PolarHBondContact O-N 3Å; N117-W122 VanDerWaalsContact O-N 3.09Å; L120-W122 VanDerWaalsContact C-N 3.28Å; L120-W122 HydrophobicContact CB-CD2 3.77Å; L120-W122 HydrophobicContact CB-CE3 4.1Å; L120-W122 HydrophobicContact CB-CG 4.12Å; L120-W122 HydrophobicContact CB-CZ2 4.25Å; L120-W122 HydrophobicContact CB-CZ3 4.48Å; L120-W122 HydrophobicContact CD1-CD2 4.22Å; L120-W122 HydrophobicContact CD1-CE3 3.79Å; L120-W122 HydrophobicContact CD1-CH2 3.44Å; L120-W122 VanDerWaalsContact CD1-CH2 3.44Å; L120-W122 HydrophobicContact CD1-CZ2 3.87Å; L120-W122 HydrophobicContact CD1-CZ3 3.38Å; L120-W122 PolarHBondContact O-N 3.44Å; W122-F124 HydrophobicContact CB-CD2 4.18Å; W122-F124 HydrophobicContact CB-CE2 3.7Å; W122-F124 HydrophobicContact CE3-CE2 4.32Å; W122-F124 HydrophobicContact CG-CE2 4.37Å; W122-L134 HydrophobicContact CB-CD1 3.74Å; W122-L134 HydrophobicContact CG-CD1 4.16Å
123	L	98.8	Very high	98.5	Very high	24 Å²	24	34.6 Å²	34.6	13%	0.126	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	96.4	173.8	-165.1	154.2	0	0	0	108.1	V12 V114 Y116 H125 L134 N135	V12-L123 HydrophobicContact CG2-CD1 3.67Å; V114-L123 HydrophobicContact CG1-CD2 4.38Å; V114-L123 HydrophobicContact CG1-CG 4.4Å; Y116-L123 HydrophobicContact CD2-CB 3.71Å; Y116-L123 HydrophobicContact CD2-CD1 4.15Å; Y116-L123 HydrophobicContact CD2-CG 4.03Å; Y116-L123 HydrophobicContact CE2-CB 4.2Å; L123-H125 HydrophobicContact CD2-CB 4.12Å; L123-L134 WeakPolarHBondContact O-CA 3.46Å; L123-N135 WeakPolarHBondContact CB-OD1 3.48Å; L123-N135 PolarHBondContact N-OD1 3.13Å; L123-N135 PolarHBondContact O-N 2.86Å
124	F	98.9	Very high	98.5	Very high	1 Å²	1	36.3 Å²	36.3	0%	0.004	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	135.8	169	-65.2	-89.6	0	0	0	108.9	V114 V115 W122 F133 L134 I139 L190 C193 A197 I219	V114-F124 WeakPolarHBondContact CA-O 3.39Å; V115-F124 HydrophobicContact CB-CB 4.28Å; V115-F124 PolarHBondContact N-O 2.9Å; V115-F124 WeakPolarHBondContact O-CB 3.44Å; V115-F124 PolarHBondContact O-N 2.87Å; W122-F124 HydrophobicContact CB-CD2 4.18Å; W122-F124 HydrophobicContact CB-CE2 3.7Å; W122-F124 HydrophobicContact CE3-CE2 4.32Å; W122-F124 HydrophobicContact CG-CE2 4.37Å; F124-F133 CarbonylContact C-O 3.57Å; F124-F133 VanDerWaalsContact CA-O 3.29Å; F124-F133 WeakPolarHBondContact CA-O 3.46Å; F124-L134 HydrophobicContact CD1-CB 4.06Å; F124-L134 HydrophobicContact CD1-CD1 4.09Å; F124-L134 HydrophobicContact CD2-CD1 4.12Å; F124-L134 HydrophobicContact CE1-CB 3.98Å; F124-L134 HydrophobicContact CE1-CD1 3.88Å; F124-L134 HydrophobicContact CE1-CD2 3.96Å; F124-L134 HydrophobicContact CE1-CG 4.14Å; F124-L134 HydrophobicContact CE2-CD1 3.91Å; F124-L134 HydrophobicContact CG-CD1 4.21Å; F124-L134 HydrophobicContact CZ-CD1 3.79Å; F124-L134 HydrophobicContact CZ-CD2 4Å; F124-L134 HydrophobicContact CZ-CG 4.36Å; F124-I139 HydrophobicContact CD1-CD1 3.92Å; F124-I139 HydrophobicContact CE1-CD1 4.2Å; F124-L190 HydrophobicContact CE2-CD2 4.45Å; F124-C193 HydrophobicContact CB-CB 4.42Å; F124-C193 HydrophobicContact CD1-CB 3.77Å; F124-C193 HydrophobicContact CD2-CB 3.69Å; F124-C193 HydrophobicContact CE1-CB 3.83Å; F124-C193 HydrophobicContact CE2-CB 3.75Å; F124-C193 HydrophobicContact CG-CB 3.7Å; F124-C193 HydrophobicContact CZ-CB 3.81Å; F124-A197 HydrophobicContact CE1-CB 4.19Å; F124-I219 HydrophobicContact CB-CD1 4.01Å; F124-I219 HydrophobicContact CB-CG2 4.44Å
125	H	98.8	Very high	98.4	Very high	16 Å²	16	39.8 Å²	39.8	7%	0.074	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	154.3	172.6	67.2	94.3	0	0	0	112.4	I4 A113 V114 L123 A132 F133 D136	I4-H125 HydrophobicContact CD1-CB 4.05Å; I4-H125 HydrophobicContact CG1-CB 4.45Å; A113-H125 CarbonylContact O-C 3.49Å; A113-H125 VanDerWaalsContact O-CA 3.24Å; A113-H125 WeakPolarHBondContact O-CA 3.26Å; A113-H125 WeakPolarHBondContact O-CB 3.32Å; V114-H125 HydrophobicContact CG2-CB 4.07Å; L123-H125 HydrophobicContact CD2-CB 4.12Å; H125-A132 WeakPolarHBondContact O-CA 3.3Å; H125-F133 VanDerWaalsContact CE1-CB 3.44Å; H125-F133 WeakPolarHBondContact CE1-CB 3.25Å; H125-F133 AromaticContact CE1-CD2 3.47Å; H125-F133 VanDerWaalsContact CE1-CD2 3.47Å; H125-F133 WeakPolarHBondContact CE1-CD2 3.44Å; H125-F133 AromaticContact CE1-CG 3.56Å; H125-F133 PolarHBondContact N-O 2.95Å; H125-F133 AromaticContact ND1-CD2 3.8Å; H125-F133 VanDerWaalsContact NE2-CB 3.26Å; H125-F133 WeakPolarHBondContact NE2-CB 3.37Å; H125-F133 AromaticContact NE2-CG 3.85Å; H125-F133 PolarHBondContact O-N 3.37Å; H125-D136 IonicContact NE2-OD1 3.83Å
126	G	98.4	Very high	98.3	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	141.8	178.6	0	0	0	0	0	110.3	A113	A113-G126 PolarHBondContact N-O 3.1Å; A113-G126 PolarHBondContact O-N 3.39Å
127	I	98.3	Very high	98.3	Very high	26 Å²	26	52.9 Å²	52.9	13%	0.133	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	131	173.2	-55.6	168	0	0	0	105.9	I4 L112 N129 Q130 G131 E222	I4-I127 HydrophobicContact CB-CD1 3.77Å; I4-I127 HydrophobicContact CB-CG1 4.03Å; I4-I127 HydrophobicContact CD1-CG1 4.18Å; I4-I127 HydrophobicContact CG1-CD1 4.05Å; I4-I127 HydrophobicContact CG1-CG1 4.02Å; I4-I127 HydrophobicContact CG2-CD1 3.8Å; L112-I127 HydrophobicContact CD2-CB 4.11Å; L112-I127 HydrophobicContact CD2-CG1 3.77Å; L112-I127 HydrophobicContact CD2-CG2 3.74Å; I127-N129 PolarHBondContact O-N 2.97Å; I127-Q130 HydrophobicContact CB-CB 3.88Å; I127-Q130 HydrophobicContact CG2-CB 3.96Å; I127-Q130 HydrophobicContact CG2-CG 4.08Å; I127-Q130 VanDerWaalsContact CG2-NE2 3.28Å; I127-Q130 PolarHBondContact O-N 2.9Å; I127-G131 PolarHBondContact N-O 3.43Å; I127-E222 VanDerWaalsContact O-CD 3.22Å; I127-E222 WeakPolarHBondContact O-CG 3.36Å; I127-E222 VanDerWaalsContact O-OE2 3.09Å
128	R	98.1	Very high	98.3	Very high	58 Å²	58	58.3 Å²	58.3	22%	0.219	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-49.6	128.8	179.4	173.2	179.6	-68.9	-145	-27.5	112	E109 P110 E111 Q130 L218 E222	E109-R128 VanDerWaalsContact C-NH2 3.26Å; E109-R128 IonicContact OE2-CZ 3.17Å; E109-R128 IonicContact OE2-NH1 2.73Å; E109-R128 IonicContact OE2-NH2 3.73Å; E109-R128 PolarHBondContact OE2-NH2 2.86Å; P110-R128 PolarHBondContact O-NE 2.94Å; P110-R128 PolarHBondContact O-NH2 2.96Å; E111-R128 PolarHBondContact O-N 2.85Å; E111-R128 WeakPolarHBondContact OE1-CD 3.32Å; E111-R128 IonicContact OE1-CZ 3.83Å; E111-R128 IonicContact OE1-NE 3.92Å; E111-R128 PolarHBondContact OE1-NE 3.07Å; E111-R128 IonicContact OE1-NH1 2.75Å; E111-R128 PolarHBondContact OE1-NH1 2.76Å; E111-R128 IonicContact OE2-NE 4Å; R128-Q130 PolarHBondContact O-N 3.15Å; R128-L218 HydrophobicContact CB-CD1 4.41Å; R128-E222 WeakPolarHBondContact CA-OE1 3.38Å
129	N	97.9	Very high	98.3	Very high	144 Å²	144	59.2 Å²	59.2	77%	0.77	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.6	22.4	-178.9	-56.2	-47.3	0	0	0	114.8	I127 E222	I127-N129 PolarHBondContact O-N 2.97Å; N129-E222 WeakPolarHBondContact CA-OE2 3.44Å; N129-E222 PolarHBondContact N-OE1 2.79Å; N129-E222 PolarHBondContact N-OE2 3.45Å
130	Q	98.1	Very high	98.4	Very high	129 Å²	129	62.3 Å²	62.3	60%	0.603	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-132	2.9	-177.7	-69.2	-177.8	56.6	0	0	112.8	I127 R128 F133 E222	I127-Q130 HydrophobicContact CB-CB 3.88Å; I127-Q130 HydrophobicContact CG2-CB 3.96Å; I127-Q130 HydrophobicContact CG2-CG 4.08Å; I127-Q130 VanDerWaalsContact CG2-NE2 3.28Å; I127-Q130 PolarHBondContact O-N 2.9Å; R128-Q130 PolarHBondContact O-N 3.15Å; Q130-F133 WeakPolarHBondContact O-CE2 3.35Å; Q130-E222 PolarHBondContact N-OE2 3.41Å
131	G	98.3	Very high	98.4	Very high	8 Å²	8	60 Å²	60	8%	0.082	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	92	171.2	175	0	0	0	0	0	114.1	I127 E222	I127-G131 PolarHBondContact N-O 3.43Å; G131-E222 VanDerWaalsContact C-CB 3.48Å; G131-E222 PolarHBondContact N-OE2 2.89Å
132	A	98.7	Very high	98.4	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	147.7	178.1	0	0	0	0	0	110.7	H125 Q138 I139 I219 E222 A223	H125-A132 WeakPolarHBondContact O-CA 3.3Å; A132-Q138 WeakPolarHBondContact O-CA 3.17Å; A132-I139 HydrophobicContact CB-CD1 4.19Å; A132-I139 HydrophobicContact CB-CG1 3.86Å; A132-I139 WeakPolarHBondContact O-CG1 3.43Å; A132-I139 PolarHBondContact O-N 3.17Å; A132-I219 HydrophobicContact CB-CG2 4.14Å; A132-I219 WeakPolarHBondContact CB-O 3.15Å; A132-E222 HydrophobicContact CB-CB 3.95Å; A132-A223 HydrophobicContact CB-CB 3.89Å
133	F	98.8	Very high	98.4	Very high	45 Å²	45	59.9 Å²	59.9	20%	0.197	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	149.8	-172.5	-57.5	-97.9	0	0	0	110.8	F124 H125 Q130 K137 Q138	F124-F133 CarbonylContact C-O 3.57Å; F124-F133 VanDerWaalsContact CA-O 3.29Å; F124-F133 WeakPolarHBondContact CA-O 3.46Å; H125-F133 VanDerWaalsContact CE1-CB 3.44Å; H125-F133 WeakPolarHBondContact CE1-CB 3.25Å; H125-F133 AromaticContact CE1-CD2 3.47Å; H125-F133 VanDerWaalsContact CE1-CD2 3.47Å; H125-F133 WeakPolarHBondContact CE1-CD2 3.44Å; H125-F133 AromaticContact CE1-CG 3.56Å; H125-F133 PolarHBondContact N-O 2.95Å; H125-F133 AromaticContact ND1-CD2 3.8Å; H125-F133 VanDerWaalsContact NE2-CB 3.26Å; H125-F133 WeakPolarHBondContact NE2-CB 3.37Å; H125-F133 AromaticContact NE2-CG 3.85Å; H125-F133 PolarHBondContact O-N 3.37Å; Q130-F133 WeakPolarHBondContact O-CE2 3.35Å; F133-K137 CarbonylContact C-O 3.5Å; F133-K137 WeakPolarHBondContact CA-O 3.13Å; F133-Q138 HydrophobicContact CD1-CB 3.99Å; F133-Q138 HydrophobicContact CE1-CB 3.88Å; F133-Q138 HydrophobicContact CE1-CG 4.26Å
134	L	98.8	Very high	98.3	Very high	37 Å²	37	60.5 Å²	60.5	19%	0.194	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	115.5	166.9	168.5	58.6	0	0	0	107.9	W122 L123 F124 D136 K137 I139	W122-L134 HydrophobicContact CB-CD1 3.74Å; W122-L134 HydrophobicContact CG-CD1 4.16Å; L123-L134 WeakPolarHBondContact O-CA 3.46Å; F124-L134 HydrophobicContact CD1-CB 4.06Å; F124-L134 HydrophobicContact CD1-CD1 4.09Å; F124-L134 HydrophobicContact CD2-CD1 4.12Å; F124-L134 HydrophobicContact CE1-CB 3.98Å; F124-L134 HydrophobicContact CE1-CD1 3.88Å; F124-L134 HydrophobicContact CE1-CD2 3.96Å; F124-L134 HydrophobicContact CE1-CG 4.14Å; F124-L134 HydrophobicContact CE2-CD1 3.91Å; F124-L134 HydrophobicContact CG-CD1 4.21Å; F124-L134 HydrophobicContact CZ-CD1 3.79Å; F124-L134 HydrophobicContact CZ-CD2 4Å; F124-L134 HydrophobicContact CZ-CG 4.36Å; L134-D136 VanDerWaalsContact C-N 3.3Å; L134-D136 PolarHBondContact O-N 3.43Å; L134-K137 PolarHBondContact N-O 3.22Å; L134-K137 WeakPolarHBondContact O-CB 3.45Å; L134-K137 PolarHBondContact O-N 2.94Å; L134-I139 HydrophobicContact CB-CG2 3.78Å
135	N	98.2	Very high	98.3	Very high	73 Å²	73	65.8 Å²	65.8	39%	0.39	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.2	53.4	-176.9	-63.8	-16.4	0	0	0	111.5	K121 L123 K137	K121-N135 PolarHBondContact O-ND2 2.94Å; K121-N135 PolarHBondContact O-OD1 2.87Å; L123-N135 WeakPolarHBondContact CB-OD1 3.48Å; L123-N135 PolarHBondContact N-OD1 3.13Å; L123-N135 PolarHBondContact O-N 2.86Å; N135-K137 PolarHBondContact O-N 3.45Å
136	D	96.2	Very high	98.2	Very high	137 Å²	137	68.3 Å²	68.3	73%	0.733	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.2	1.3	-178.6	-49.8	-53.7	0	0	0	116	H125 L134	H125-D136 IonicContact NE2-OD1 3.83Å; L134-D136 VanDerWaalsContact C-N 3.3Å; L134-D136 PolarHBondContact O-N 3.43Å
137	K	98.4	Very high	98.2	Very high	160 Å²	160	69.1 Å²	69.1	70%	0.696	34%	0.337	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.8	124.9	172.9	-63.1	-174.4	-179.1	-179.3	0	110	F133 L134 N135 I139	F133-K137 CarbonylContact C-O 3.5Å; F133-K137 WeakPolarHBondContact CA-O 3.13Å; L134-K137 PolarHBondContact N-O 3.22Å; L134-K137 WeakPolarHBondContact O-CB 3.45Å; L134-K137 PolarHBondContact O-N 2.94Å; N135-K137 PolarHBondContact O-N 3.45Å; K137-I139 PolarHBondContact O-N 3.43Å
138	Q	98.5	Very high	98.2	Very high	114 Å²	114	71 Å²	71	53%	0.533	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60	137.5	176.8	-168.4	170.5	13.8	0	0	110.8	A132 F133	A132-Q138 WeakPolarHBondContact O-CA 3.17Å; F133-Q138 HydrophobicContact CD1-CB 3.99Å; F133-Q138 HydrophobicContact CE1-CB 3.88Å; F133-Q138 HydrophobicContact CE1-CG 4.26Å
139	I	98.8	Very high	98.2	Very high	19 Å²	19	73.2 Å²	73.2	10%	0.097	37%	0.365	C	S	.	.			trans	-121	155.3	-179.6	55	171.6	0	0	0	111.1	F124 A132 L134 K137 A196 I219	F124-I139 HydrophobicContact CD1-CD1 3.92Å; F124-I139 HydrophobicContact CE1-CD1 4.2Å; A132-I139 HydrophobicContact CB-CD1 4.19Å; A132-I139 HydrophobicContact CB-CG1 3.86Å; A132-I139 WeakPolarHBondContact O-CG1 3.43Å; A132-I139 PolarHBondContact O-N 3.17Å; L134-I139 HydrophobicContact CB-CG2 3.78Å; K137-I139 PolarHBondContact O-N 3.43Å; I139-A196 HydrophobicContact CD1-CB 3.95Å; I139-I219 HydrophobicContact CD1-CG2 4.47Å
140	H	98.8	Very high	98.2	Very high	107 Å²	107	66.3 Å²	66.3	50%	0.495	33%	0.329	S	S	.	.			trans	-139	145.4	176.8	-64	-65.6	0	0	0	110.4	A196 A197 G198 A223	H140-A196 CarbonylContact C-O 3.5Å; H140-A197 CarbonylContact O-C 3.52Å; H140-G198 PolarHBondContact O-N 3.08Å; H140-A223 WeakPolarHBondContact CA-O 3.48Å
141	T	98.8	Very high	98.2	Very high	7 Å²	7	61.4 Å²	61.4	4%	0.043	31%	0.307	C	S	.	.			trans	-64.1	156.6	172.3	59.8	0	0	0	0	112.3	K143 I195 A196 A223 G224 G225 G246	T141-K143 PolarHBondContact OG1-NZ 2.74Å; T141-I195 WeakPolarHBondContact CG2-O 3.3Å; T141-A196 PolarHBondContact N-O 2.76Å; T141-A223 HydrophobicContact CG2-CB 3.98Å; T141-A223 PolarHBondContact N-O 3.24Å; T141-G224 PolarHBondContact OG1-O 3.34Å; T141-G225 VanDerWaalsContact CG2-CA 3.47Å; T141-G246 PolarHBondContact OG1-O 2.84Å; T141-G246 VanDerWaalsContact OG1-O 3.06Å
142	S	98.1	Very high	98.2	Very high	22 Å²	22	61 Å²	61	15%	0.154	30%	0.303	C	S	.	.			trans	-60.9	149	166.8	82.3	0	0	0	0	110.1	L144 D201 G246	S142-L144 VanDerWaalsContact C-N 3.34Å; S142-D201 VanDerWaalsContact CB-OD1 3.32Å; S142-D201 WeakPolarHBondContact CB-OD1 3.39Å; S142-D201 PolarHBondContact OG-OD1 2.82Å; S142-G246 CarbonylContact O-C 3.4Å; S142-G246 WeakPolarHBondContact O-CA 3.36Å
143	K	98.2	Very high	98.2	Very high	131 Å²	131	61.3 Å²	61.3	57%	0.57	30%	0.304	S	S	*	.			trans	-100.5	20.2	176.2	-54.7	-53.8	174.9	-158.2	0	112.3	T141 G224	T141-K143 PolarHBondContact OG1-NZ 2.74Å; K143-G224 PolarHBondContact NZ-O 2.93Å
144	L	97.8	Very high	98.2	Very high	36 Å²	36	59.5 Å²	59.5	19%	0.188	30%	0.297	C	S	.	.			trans	-66.8	142.6	179.7	-172.2	71.2	0	0	0	109.8	S142 Q149 A150 D201 T247 L250	S142-L144 VanDerWaalsContact C-N 3.34Å; L144-Q149 HydrophobicContact CD1-CB 3.81Å; L144-Q149 HydrophobicContact CD2-CB 3.83Å; L144-Q149 HydrophobicContact CG-CB 4.37Å; L144-A150 HydrophobicContact CD2-CB 3.95Å; L144-D201 HydrophobicContact CD2-CB 4.25Å; L144-T247 WeakPolarHBondContact O-CG2 3.2Å; L144-T247 PolarHBondContact O-OG1 3.06Å; L144-L250 HydrophobicContact CB-CD1 4.14Å; L144-L250 HydrophobicContact CG-CD1 4.5Å; L144-L250 WeakPolarHBondContact O-CD1 3.45Å; L144-L250 VanDerWaalsContact O-CG 3.27Å; L144-L250 WeakPolarHBondContact O-CG 3.36Å
145	Q	98	Very high	98.1	Very high	112 Å²	112	59.1 Å²	59.1	52%	0.523	30%	0.295	S	S	.	.			trans	-124.8	-17.6	178.4	-65.4	-176.6	-26.6	0	0	112.7	T247 E249	Q145-T247 HydrophobicContact CG-CG2 4.31Å; Q145-E249 HydrophobicContact CB-CB 4.05Å; Q145-E249 HydrophobicContact CG-CB 4.03Å; Q145-E249 HydrophobicContact CG-CG 4.19Å; Q145-E249 PolarHBondContact NE2-OE2 2.74Å; Q145-E249 VanDerWaalsContact NE2-OE2 3.09Å
146	D	97.7	Very high	97.9	Very high	70 Å²	70	60 Å²	60	37%	0.374	29%	0.293	S	S	.	.			trans	-92.4	113.4	-179.4	177.8	4.4	0	0	0	110.8	S148 Q149	D146-S148 PolarHBondContact O-N 3.36Å; D146-S148 WeakPolarHBondContact OD1-CB 3.3Å; D146-S148 PolarHBondContact OD1-N 2.76Å; D146-S148 PolarHBondContact OD1-OG 2.92Å; D146-S148 PolarHBondContact OD2-OG 3.09Å; D146-Q149 PolarHBondContact O-N 3.15Å; D146-Q149 VanDerWaalsContact O-N 3.12Å; D146-Q149 PolarHBondContact OD2-NE2 3.29Å
147	L	97.6	Very high	97.7	Very high	17 Å²	17	54.7 Å²	54.7	9%	0.089	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-56.5	-32.2	179.5	-176.3	65	0	0	0	112.2	Q149 A150 V152 K178 A179 I202 L250 A253 L257	L147-Q149 PolarHBondContact O-N 3.06Å; L147-Q149 VanDerWaalsContact O-N 3.11Å; L147-A150 HydrophobicContact CD1-CB 4.17Å; L147-A150 VanDerWaalsContact O-CB 3.26Å; L147-A150 WeakPolarHBondContact O-CB 3.36Å; L147-A150 PolarHBondContact O-N 3.05Å; L147-V152 HydrophobicContact CD1-CG2 4.35Å; L147-K178 CarbonylContact C-O 3.56Å; L147-K178 HydrophobicContact CD2-CB 3.94Å; L147-A179 HydrophobicContact CD1-CB 4.23Å; L147-A179 HydrophobicContact CG-CB 4.28Å; L147-A179 VanDerWaalsContact O-CA 3.27Å; L147-A179 WeakPolarHBondContact O-CA 3.49Å; L147-I202 HydrophobicContact CD1-CD1 3.74Å; L147-L250 HydrophobicContact CB-CD2 4.49Å; L147-A253 HydrophobicContact CB-CB 4.28Å; L147-L257 HydrophobicContact CD2-CD1 3.41Å; L147-L257 VanDerWaalsContact CD2-CD1 3.41Å
148	S	97.9	Very high	97.3	Very high	66 Å²	66	48.4 Å²	48.4	46%	0.462	25%	0.25	S	S	.	.	G	3₁₀ helix	trans	-64.3	-18.5	-178.8	76.3	0	0	0	0	114.5	D146 K178 R180	D146-S148 PolarHBondContact O-N 3.36Å; D146-S148 WeakPolarHBondContact OD1-CB 3.3Å; D146-S148 PolarHBondContact OD1-N 2.76Å; D146-S148 PolarHBondContact OD1-OG 2.92Å; D146-S148 PolarHBondContact OD2-OG 3.09Å; S148-K178 WeakPolarHBondContact CA-O 3.26Å; S148-K178 PolarHBondContact N-O 2.66Å; S148-R180 PolarHBondContact O-N 3.06Å
149	Q	98.1	Very high	97	Very high	103 Å²	103	45.2 Å²	45.2	48%	0.481	24%	0.237	S	C	.	.	G	3₁₀ helix	trans	-101.1	-9.7	176.7	-63.3	177	54.3	0	0	112.3	L144 D146 L147 R180	L144-Q149 HydrophobicContact CD1-CB 3.81Å; L144-Q149 HydrophobicContact CD2-CB 3.83Å; L144-Q149 HydrophobicContact CG-CB 4.37Å; D146-Q149 PolarHBondContact O-N 3.15Å; D146-Q149 VanDerWaalsContact O-N 3.12Å; D146-Q149 PolarHBondContact OD2-NE2 3.29Å; L147-Q149 PolarHBondContact O-N 3.06Å; L147-Q149 VanDerWaalsContact O-N 3.11Å; Q149-R180 WeakPolarHBondContact O-CD 3.27Å; Q149-R180 VanDerWaalsContact O-CZ 3.26Å; Q149-R180 PolarHBondContact O-NE 2.8Å; Q149-R180 VanDerWaalsContact O-NE 3.07Å
150	A	98.5	Very high	96.8	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	25%	0.247	C	C	.	.			trans	-76	137.1	-170.5	0	0	0	0	0	112.7	L144 L147 R180 D201 L250	L144-A150 HydrophobicContact CD2-CB 3.95Å; L147-A150 HydrophobicContact CD1-CB 4.17Å; L147-A150 VanDerWaalsContact O-CB 3.26Å; L147-A150 WeakPolarHBondContact O-CB 3.36Å; L147-A150 PolarHBondContact O-N 3.05Å; A150-R180 WeakPolarHBondContact O-CB 3.27Å; A150-R180 PolarHBondContact O-N 2.94Å; A150-D201 WeakPolarHBondContact CA-OD2 3.46Å; A150-D201 HydrophobicContact CB-CB 3.82Å; A150-L250 HydrophobicContact CB-CD2 4.12Å
151	L	98.6	Very high	96.6	Very high	26 Å²	26	46.8 Å²	46.8	14%	0.136	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	112.4	162	-172.5	66.3	0	0	0	109	L153 R183 D201 I202	L151-L153 HydrophobicContact CD2-CD1 4.32Å; L151-L153 HydrophobicContact CG-CD1 4.02Å; L151-R183 HydrophobicContact CD1-CG 3.79Å; L151-R183 HydrophobicContact CD2-CG 4.17Å; L151-R183 HydrophobicContact CG-CG 4.15Å; L151-D201 PolarHBondContact N-OD2 3.41Å; L151-D201 PolarHBondContact O-N 3.29Å; L151-I202 PolarHBondContact O-N 3.49Å
152	V	98.6	Very high	96.5	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	134	-179.7	-178.1	0	0	0	0	110	L147 I175 A179 G181 V182 R183 I202 F204	L147-V152 HydrophobicContact CD1-CG2 4.35Å; V152-I175 HydrophobicContact CB-CG2 4.1Å; V152-I175 HydrophobicContact CG1-CG2 4.12Å; V152-I175 HydrophobicContact CG2-CG2 3.84Å; V152-A179 HydrophobicContact CG2-CB 3.93Å; V152-G181 PolarHBondContact N-O 3.04Å; V152-V182 HydrophobicContact CB-CG2 4.34Å; V152-V182 CarbonylContact O-C 3.55Å; V152-V182 WeakPolarHBondContact O-CA 3.46Å; V152-R183 PolarHBondContact O-N 3.11Å; V152-I202 CarbonylContact C-O 3.55Å; V152-I202 WeakPolarHBondContact CA-O 3.23Å; V152-I202 HydrophobicContact CG2-CB 4.49Å; V152-F204 HydrophobicContact CG1-CD1 3.81Å; V152-F204 HydrophobicContact CG1-CE1 3.69Å
153	L	98.6	Very high	96.4	Very high	5 Å²	5	53 Å²	53	3%	0.026	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	145.5	176.5	-80	59.9	0	0	0	108.7	L151 R183 M185 H191 Q194 I195 I202 F203 F204	L151-L153 HydrophobicContact CD2-CD1 4.32Å; L151-L153 HydrophobicContact CG-CD1 4.02Å; L153-R183 WeakPolarHBondContact CA-O 3.26Å; L153-R183 HydrophobicContact CD1-CB 4.33Å; L153-R183 HydrophobicContact CG-CB 4.31Å; L153-M185 HydrophobicContact CD2-CE 4.16Å; L153-H191 HydrophobicContact CB-CB 4.3Å; L153-H191 HydrophobicContact CD2-CB 4.15Å; L153-H191 WeakPolarHBondContact CD2-O 3.37Å; L153-Q194 HydrophobicContact CD2-CB 3.86Å; L153-Q194 HydrophobicContact CD2-CG 4.5Å; L153-I195 HydrophobicContact CD1-CD1 4.4Å; L153-I195 HydrophobicContact CD2-CD1 4.06Å; L153-I202 PolarHBondContact N-O 3.08Å; L153-F203 HydrophobicContact CB-CB 4.15Å; L153-F203 HydrophobicContact CB-CD2 4.02Å; L153-F203 VanDerWaalsContact O-CA 3.26Å; L153-F203 WeakPolarHBondContact O-CA 3.5Å; L153-F203 WeakPolarHBondContact O-CD2 3.25Å; L153-F204 PolarHBondContact O-N 2.72Å
154	T	98.2	Very high	96.3	Very high	7 Å²	7	47.5 Å²	47.5	4%	0.043	26%	0.262	C	S	.	.			trans	-168.1	162.2	179.3	-177	0	0	0	0	109.2	I172 V182 R183 T184 H191 F204	T154-I172 HydrophobicContact CG2-CD1 3.4Å; T154-I172 VanDerWaalsContact CG2-CD1 3.4Å; T154-V182 HydrophobicContact CG2-CG1 3.7Å; T154-R183 PolarHBondContact N-O 3.21Å; T154-R183 VanDerWaalsContact N-O 3.08Å; T154-T184 WeakPolarHBondContact O-CA 3.23Å; T154-T184 WeakPolarHBondContact O-CB 3.32Å; T154-T184 WeakPolarHBondContact O-CG2 3.28Å; T154-T184 PolarHBondContact O-OG1 3.37Å; T154-H191 PolarHBondContact O-CE1 3.03Å; T154-H191 PolarHBondContact O-NE2 2.78Å; T154-F204 WeakPolarHBondContact CB-O 3.38Å; T154-F204 HydrophobicContact CG2-CE1 4.24Å; T154-F204 HydrophobicContact CG2-CZ 4.41Å; T154-F204 PolarHBondContact OG1-O 2.66Å
155	D	96.3	Very high	96.2	Very high	29 Å²	29	48 Å²	48	16%	0.155	27%	0.265	C	S	.	.			trans	-125.3	169.4	166.8	-135.9	-61.6	0	0	0	113.1	T184 G186 H191 E205	D155-T184 HydrophobicContact CB-CG2 4.4Å; D155-T184 VanDerWaalsContact OD2-CG2 3.25Å; D155-T184 WeakPolarHBondContact OD2-CG2 3.48Å; D155-G186 WeakPolarHBondContact OD2-CA 3.17Å; D155-G186 PolarHBondContact OD2-N 3.03Å; D155-H191 IonicContact OD2-CE1 3.14Å; D155-H191 PolarHBondContact OD2-CE1 2.75Å; D155-E205 WeakPolarHBondContact CB-OE1 3.46Å; D155-E205 WeakPolarHBondContact CB-OE2 3.33Å
156	W	94.9	Very high	96.2	Very high	93 Å²	93	47.9 Å²	47.9	35%	0.352	27%	0.268	S	S	.	.			trans	-91.1	-17.8	179.2	-64.6	94.3	0	0	0	112.3	K168 I172	W156-K168 HydrophobicContact CE3-CB 4.31Å; W156-K168 HydrophobicContact CZ3-CB 4.19Å; W156-K168 PolarHBondContact O-NZ 3.14Å; W156-I172 HydrophobicContact CH2-CG1 4.23Å
157	G	91.2	Very high	96.2	Very high	25 Å²	25	46.4 Å²	46.4	26%	0.258	26%	0.26	S	S	.	.			trans	67.2	-175.5	-175.9	0	0	0	0	0	113.6	R160	G157-R160 PolarHBondContact O-NH1 3.33Å; G157-R160 PolarHBondContact O-NH2 2.65Å
158	G	90.7	Very high	96.1	Very high	27 Å²	27	46 Å²	46	28%	0.278	26%	0.257	S	S	.	.	S	Bend	trans	-83.4	-18.4	178.4	0	0	0	0	0	115	S33 R160	S33-G158 WeakPolarHBondContact CB-O 3.09Å; S33-G158 PolarHBondContact OG-O 2.88Å; G158-R160 VanDerWaalsContact C-NH1 3.34Å; G158-R160 PolarHBondContact O-NH1 3.17Å
159	D	92.6	Very high	96.1	Very high	48 Å²	48	45.5 Å²	45.5	26%	0.257	25%	0.253	S	S	.	.			trans	-68.7	132.4	-176.2	-170.3	-13.8	0	0	0	112.1	N161 V164 Y263	D159-N161 VanDerWaalsContact OD1-CB 3.27Å; D159-N161 WeakPolarHBondContact OD1-CB 3.31Å; D159-N161 PolarHBondContact OD1-N 2.91Å; D159-V164 HydrophobicContact CB-CG1 4.4Å; D159-Y263 HydrophobicContact CB-CE1 4.48Å; D159-Y263 WeakPolarHBondContact OD2-CE1 3.35Å; D159-Y263 PolarHBondContact OD2-OH 3.44Å
160	R	94	Very high	96.1	Very high	79 Å²	79	43.7 Å²	43.7	30%	0.298	25%	0.247	S	C	.	.			trans	-121	15.7	-178.4	-62.2	-67.7	177.2	-87.8	3.1	113.1	Y34 G157 G158 P162	Y34-R160 HydrophobicContact CD1-CG 4.48Å; Y34-R160 HydrophobicContact CE1-CB 4.07Å; Y34-R160 HydrophobicContact CE1-CG 3.69Å; Y34-R160 WeakPolarHBondContact OH-CD 3.44Å; G157-R160 PolarHBondContact O-NH1 3.33Å; G157-R160 PolarHBondContact O-NH2 2.65Å; G158-R160 VanDerWaalsContact C-NH1 3.34Å; G158-R160 PolarHBondContact O-NH1 3.17Å; R160-P162 WeakPolarHBondContact O-CD 3.1Å
161	N	94.7	Very high	96.1	Very high	79 Å²	79	43.7 Å²	43.7	42%	0.422	25%	0.247	S	C	.	.			trans	-63.4	124.7	171.3	-174.8	-42.7	0	0	0	110.2	D159 S163 V164 L165	D159-N161 VanDerWaalsContact OD1-CB 3.27Å; D159-N161 WeakPolarHBondContact OD1-CB 3.31Å; D159-N161 PolarHBondContact OD1-N 2.91Å; N161-S163 VanDerWaalsContact C-N 3.28Å; N161-S163 PolarHBondContact O-N 3.14Å; N161-S163 PolarHBondContact OD1-N 3.19Å; N161-S163 PolarHBondContact OD1-OG 3.29Å; N161-V164 HydrophobicContact CB-CB 4.22Å; N161-V164 HydrophobicContact CB-CG2 4.09Å; N161-V164 WeakPolarHBondContact O-CB 3.31Å; N161-V164 PolarHBondContact O-N 3Å; N161-V164 VanDerWaalsContact O-N 3.09Å; N161-L165 WeakPolarHBondContact O-CG 3.29Å; N161-L165 PolarHBondContact O-N 2.89Å
162	P	95.7	Very high	96	Very high	92 Å²	92	43.9 Å²	43.9	60%	0.597	25%	0.248	S	C	*	.	H	α-helix	trans	-53.8	-40.8	-178.5	-28.7	35.7	0	0	0	114	R160 V164 L165 D166	R160-P162 WeakPolarHBondContact O-CD 3.1Å; P162-V164 VanDerWaalsContact C-N 3.31Å; P162-V164 PolarHBondContact O-N 3.39Å; P162-L165 PolarHBondContact O-N 3.41Å; P162-D166 WeakPolarHBondContact O-CB 3.03Å; P162-D166 VanDerWaalsContact O-CG 3.25Å; P162-D166 PolarHBondContact O-N 3.25Å
163	S	96	Very high	96	Very high	67 Å²	67	52.9 Å²	52.9	47%	0.469	28%	0.282	S	S	.	.	H	α-helix	trans	-65.2	-35.2	-179.2	64.3	0	0	0	0	112.9	N161 I167	N161-S163 VanDerWaalsContact C-N 3.28Å; N161-S163 PolarHBondContact O-N 3.14Å; N161-S163 PolarHBondContact OD1-N 3.19Å; N161-S163 PolarHBondContact OD1-OG 3.29Å; S163-I167 WeakPolarHBondContact O-CG1 3.42Å; S163-I167 PolarHBondContact O-N 3.07Å
164	V	95.8	Very high	95.9	Very high	16 Å²	16	55.8 Å²	55.8	10%	0.097	30%	0.295	C	S	.	.	H	α-helix	trans	-70.1	-45.5	174.5	168.1	0	0	0	0	110.3	D159 N161 P162 D166 I167 K168 V261 Y263	D159-V164 HydrophobicContact CB-CG1 4.4Å; N161-V164 HydrophobicContact CB-CB 4.22Å; N161-V164 HydrophobicContact CB-CG2 4.09Å; N161-V164 WeakPolarHBondContact O-CB 3.31Å; N161-V164 PolarHBondContact O-N 3Å; N161-V164 VanDerWaalsContact O-N 3.09Å; P162-V164 VanDerWaalsContact C-N 3.31Å; P162-V164 PolarHBondContact O-N 3.39Å; V164-D166 VanDerWaalsContact C-N 3.3Å; V164-D166 PolarHBondContact O-N 3.04Å; V164-I167 PolarHBondContact O-N 2.91Å; V164-K168 HydrophobicContact CG1-CD 4.27Å; V164-K168 HydrophobicContact CG1-CG 4.44Å; V164-K168 WeakPolarHBondContact O-CG 3.48Å; V164-K168 PolarHBondContact O-N 3.03Å; V164-V261 HydrophobicContact CB-CG1 4.47Å; V164-V261 HydrophobicContact CG1-CG1 4Å; V164-V261 HydrophobicContact CG2-CG1 3.93Å; V164-Y263 WeakPolarHBondContact CG1-OH 3.47Å
165	L	96.4	Very high	95.9	Very high	47 Å²	47	55.5 Å²	55.5	25%	0.246	29%	0.293	C	S	.	.	H	α-helix	trans	-62.4	-37.2	178.3	-67.5	177.3	0	0	0	112	N161 P162 K168 S169	N161-L165 WeakPolarHBondContact O-CG 3.29Å; N161-L165 PolarHBondContact O-N 2.89Å; P162-L165 PolarHBondContact O-N 3.41Å; L165-K168 PolarHBondContact O-N 3.45Å; L165-S169 WeakPolarHBondContact O-CB 3.38Å; L165-S169 PolarHBondContact O-N 3.36Å; L165-S169 PolarHBondContact O-OG 2.81Å
166	D	97.7	Very high	96	Very high	110 Å²	110	58 Å²	58	59%	0.588	31%	0.306	S	S	*	.	H	α-helix	trans	-63.2	-45.1	175.3	-73.9	-21.5	0	0	0	111.3	P162 V164 S169 N170	P162-D166 WeakPolarHBondContact O-CB 3.03Å; P162-D166 VanDerWaalsContact O-CG 3.25Å; P162-D166 PolarHBondContact O-N 3.25Å; V164-D166 VanDerWaalsContact C-N 3.3Å; V164-D166 PolarHBondContact O-N 3.04Å; D166-S169 PolarHBondContact O-N 2.83Å; D166-N170 VanDerWaalsContact O-CB 3.27Å; D166-N170 WeakPolarHBondContact O-CB 3.31Å; D166-N170 PolarHBondContact O-N 3.28Å
167	I	97.5	Very high	96.1	Very high	38 Å²	38	57.7 Å²	57.7	20%	0.195	32%	0.318	C	S	.	.	H	α-helix	trans	-62.4	-50.7	175.9	-66.4	167	0	0	0	110.5	S163 V164 S169 N170 N171 Q259 V261	S163-I167 WeakPolarHBondContact O-CG1 3.42Å; S163-I167 PolarHBondContact O-N 3.07Å; V164-I167 PolarHBondContact O-N 2.91Å; I167-S169 PolarHBondContact O-N 2.72Å; I167-N170 PolarHBondContact O-N 3.1Å; I167-N171 VanDerWaalsContact O-CG 3.3Å; I167-N171 PolarHBondContact O-N 2.94Å; I167-Q259 HydrophobicContact CG2-CB 4.07Å; I167-Q259 HydrophobicContact CG2-CG 4Å; I167-Q259 WeakPolarHBondContact CG2-O 3.09Å; I167-V261 HydrophobicContact CB-CG2 4.05Å; I167-V261 HydrophobicContact CG2-CG2 3.59Å
168	K	97.1	Very high	96.4	Very high	10 Å²	10	62.3 Å²	62.3	4%	0.043	33%	0.331	C	S	.	.	H	α-helix	trans	-58.2	-47.3	178.6	-70.3	-171.2	-178.4	-165.4	0	110.9	W156 V164 L165 N170 N171 I172 F206 V261	W156-K168 HydrophobicContact CE3-CB 4.31Å; W156-K168 HydrophobicContact CZ3-CB 4.19Å; W156-K168 PolarHBondContact O-NZ 3.14Å; V164-K168 HydrophobicContact CG1-CD 4.27Å; V164-K168 HydrophobicContact CG1-CG 4.44Å; V164-K168 WeakPolarHBondContact O-CG 3.48Å; V164-K168 PolarHBondContact O-N 3.03Å; L165-K168 PolarHBondContact O-N 3.45Å; K168-N170 VanDerWaalsContact C-N 3.34Å; K168-N170 PolarHBondContact O-N 2.52Å; K168-N171 WeakPolarHBondContact O-CB 3.43Å; K168-N171 PolarHBondContact O-N 3.28Å; K168-I172 WeakPolarHBondContact O-CG1 3.08Å; K168-I172 PolarHBondContact O-N 3.01Å; K168-F206 PolarHBondContact NZ-O 3.43Å; K168-V261 HydrophobicContact CG-CG2 4.34Å
169	S	97.4	Very high	96.7	Very high	54 Å²	54	61.6 Å²	61.6	38%	0.378	32%	0.322	S	S	.	.	H	α-helix	trans	-61.6	-40.9	178.4	-59.7	0	0	0	0	112.3	L165 D166 I167 I172 R173	L165-S169 WeakPolarHBondContact O-CB 3.38Å; L165-S169 PolarHBondContact O-N 3.36Å; L165-S169 PolarHBondContact O-OG 2.81Å; D166-S169 PolarHBondContact O-N 2.83Å; I167-S169 PolarHBondContact O-N 2.72Å; S169-I172 PolarHBondContact O-N 2.86Å; S169-R173 PolarHBondContact O-N 3.29Å
170	N	97.8	Very high	97	Very high	66 Å²	66	66.9 Å²	66.9	35%	0.353	34%	0.339	S	S	.	.	H	α-helix	trans	-67.5	-39.2	177	-173.3	54.2	0	0	0	112.3	D166 I167 K168 R173 Q174	D166-N170 VanDerWaalsContact O-CB 3.27Å; D166-N170 WeakPolarHBondContact O-CB 3.31Å; D166-N170 PolarHBondContact O-N 3.28Å; I167-N170 PolarHBondContact O-N 3.1Å; K168-N170 VanDerWaalsContact C-N 3.34Å; K168-N170 PolarHBondContact O-N 2.52Å; N170-R173 WeakPolarHBondContact O-CB 3.33Å; N170-R173 PolarHBondContact O-N 2.9Å; N170-Q174 PolarHBondContact ND2-NE2 2.91Å; N170-Q174 VanDerWaalsContact ND2-NE2 3.16Å; N170-Q174 WeakPolarHBondContact O-CG 3.42Å; N170-Q174 PolarHBondContact O-N 2.93Å
171	N	97.7	Very high	97.2	Very high	0 Å²	0	63.4 Å²	63.4	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-59.2	-47.5	173.3	-70.7	-13.2	0	0	0	111.1	I167 K168 R173 Q174 I175 I258 Q259	I167-N171 VanDerWaalsContact O-CG 3.3Å; I167-N171 PolarHBondContact O-N 2.94Å; K168-N171 WeakPolarHBondContact O-CB 3.43Å; K168-N171 PolarHBondContact O-N 3.28Å; N171-R173 VanDerWaalsContact C-N 3.31Å; N171-R173 PolarHBondContact O-N 3.48Å; N171-Q174 PolarHBondContact O-N 3.31Å; N171-Q174 VanDerWaalsContact O-N 3.15Å; N171-I175 WeakPolarHBondContact O-CD1 3.35Å; N171-I175 VanDerWaalsContact O-CG1 3.26Å; N171-I175 WeakPolarHBondContact O-CG1 3.27Å; N171-I175 PolarHBondContact O-N 3.03Å; N171-I258 HydrophobicContact CB-CG2 4.41Å; N171-Q259 PolarHBondContact ND2-O 3.19Å; N171-Q259 PolarHBondContact OD1-N 3.2Å
172	I	97.8	Very high	97.3	Very high	30 Å²	30	61 Å²	61	15%	0.154	32%	0.316	C	S	.	.	H	α-helix	trans	-59.7	-42.6	176.9	-61.6	-62.6	0	0	0	111.4	T154 W156 K168 S169 Q174 I175 I176 V182 F204	T154-I172 HydrophobicContact CG2-CD1 3.4Å; T154-I172 VanDerWaalsContact CG2-CD1 3.4Å; W156-I172 HydrophobicContact CH2-CG1 4.23Å; K168-I172 WeakPolarHBondContact O-CG1 3.08Å; K168-I172 PolarHBondContact O-N 3.01Å; S169-I172 PolarHBondContact O-N 2.86Å; I172-Q174 VanDerWaalsContact C-N 3.34Å; I172-Q174 PolarHBondContact O-N 3.3Å; I172-I175 PolarHBondContact O-N 2.93Å; I172-I176 WeakPolarHBondContact O-CB 3.28Å; I172-I176 WeakPolarHBondContact O-CG2 3.33Å; I172-I176 PolarHBondContact O-N 2.79Å; I172-V182 HydrophobicContact CD1-CG1 4.25Å; I172-F204 HydrophobicContact CD1-CE1 4.41Å; I172-F204 HydrophobicContact CD1-CZ 3.85Å
173	R	97.6	Very high	97.4	Very high	189 Å²	189	63.4 Å²	63.4	71%	0.713	31%	0.313	S	S	*	.	H	α-helix	trans	-58.4	-44.1	175.2	178.7	-179.2	176	149	0.3	112.1	S169 N170 N171 S177	S169-R173 PolarHBondContact O-N 3.29Å; N170-R173 WeakPolarHBondContact O-CB 3.33Å; N170-R173 PolarHBondContact O-N 2.9Å; N171-R173 VanDerWaalsContact C-N 3.31Å; N171-R173 PolarHBondContact O-N 3.48Å; R173-S177 PolarHBondContact O-N 3.13Å
174	Q	97.5	Very high	97.5	Very high	66 Å²	66	63.1 Å²	63.1	31%	0.308	31%	0.308	S	S	.	.	H	α-helix	trans	-64.3	-45	177.7	-70.8	-176.6	70.5	0	0	111.2	N170 N171 I172 S177 L257	N170-Q174 PolarHBondContact ND2-NE2 2.91Å; N170-Q174 VanDerWaalsContact ND2-NE2 3.16Å; N170-Q174 WeakPolarHBondContact O-CG 3.42Å; N170-Q174 PolarHBondContact O-N 2.93Å; N171-Q174 PolarHBondContact O-N 3.31Å; N171-Q174 VanDerWaalsContact O-N 3.15Å; I172-Q174 VanDerWaalsContact C-N 3.34Å; I172-Q174 PolarHBondContact O-N 3.3Å; Q174-S177 PolarHBondContact O-N 3.36Å; Q174-S177 PolarHBondContact O-OG 2.83Å; Q174-L257 VanDerWaalsContact CD-O 3.26Å; Q174-L257 PolarHBondContact NE2-O 3.46Å; Q174-L257 PolarHBondContact OE1-O 3.03Å
175	I	97.8	Very high	97.5	Very high	0 Å²	0	63.4 Å²	63.4	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-65.8	-50.5	-178.6	-66.7	164	0	0	0	111.8	V152 N171 I172 S177 K178 A179 V182 F204 L254 I258	V152-I175 HydrophobicContact CB-CG2 4.1Å; V152-I175 HydrophobicContact CG1-CG2 4.12Å; V152-I175 HydrophobicContact CG2-CG2 3.84Å; N171-I175 WeakPolarHBondContact O-CD1 3.35Å; N171-I175 VanDerWaalsContact O-CG1 3.26Å; N171-I175 WeakPolarHBondContact O-CG1 3.27Å; N171-I175 PolarHBondContact O-N 3.03Å; I172-I175 PolarHBondContact O-N 2.93Å; I175-S177 PolarHBondContact O-N 3.26Å; I175-S177 VanDerWaalsContact O-N 3.12Å; I175-K178 CarbonylContact O-C 3.56Å; I175-K178 WeakPolarHBondContact O-CA 3.36Å; I175-K178 PolarHBondContact O-N 2.85Å; I175-A179 HydrophobicContact CG2-CB 4.06Å; I175-A179 WeakPolarHBondContact O-CB 3.35Å; I175-A179 PolarHBondContact O-N 2.97Å; I175-V182 HydrophobicContact CG2-CG2 4.12Å; I175-F204 HydrophobicContact CD1-CD1 4.23Å; I175-F204 HydrophobicContact CD1-CE1 3.31Å; I175-F204 HydrophobicContact CD1-CE2 4.15Å; I175-F204 HydrophobicContact CD1-CZ 3.25Å; I175-L254 HydrophobicContact CD1-CD1 3.64Å; I175-L254 HydrophobicContact CG1-CD1 3.68Å; I175-I258 HydrophobicContact CD1-CG2 3.89Å; I175-I258 HydrophobicContact CG1-CG2 4.44Å
176	I	97	Very high	97.6	Very high	83 Å²	83	62.1 Å²	62.1	43%	0.426	31%	0.307	S	S	.	.	H	α-helix	trans	-64.8	-20.3	-177.3	-163.5	63.1	0	0	0	112.3	I172 K178 V182	I172-I176 WeakPolarHBondContact O-CB 3.28Å; I172-I176 WeakPolarHBondContact O-CG2 3.33Å; I172-I176 PolarHBondContact O-N 2.79Å; I176-K178 PolarHBondContact O-N 2.78Å; I176-V182 HydrophobicContact CB-CG2 4.42Å; I176-V182 HydrophobicContact CD1-CB 4.45Å; I176-V182 HydrophobicContact CD1-CG2 3.99Å
177	S	97.5	Very high	97.6	Very high	85 Å²	85	57 Å²	57	59%	0.594	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.5	-14.3	171.8	81.9	0	0	0	0	114	R173 Q174 I175	R173-S177 PolarHBondContact O-N 3.13Å; Q174-S177 PolarHBondContact O-N 3.36Å; Q174-S177 PolarHBondContact O-OG 2.83Å; I175-S177 PolarHBondContact O-N 3.26Å; I175-S177 VanDerWaalsContact O-N 3.12Å
178	K	97.7	Very high	97.6	Very high	122 Å²	122	55.3 Å²	55.3	53%	0.53	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-124.8	-15.2	-174.9	-62.3	-60.7	-177.8	-177.4	0	114.4	L147 S148 I175 I176 L257	L147-K178 CarbonylContact C-O 3.56Å; L147-K178 HydrophobicContact CD2-CB 3.94Å; S148-K178 WeakPolarHBondContact CA-O 3.26Å; S148-K178 PolarHBondContact N-O 2.66Å; I175-K178 CarbonylContact O-C 3.56Å; I175-K178 WeakPolarHBondContact O-CA 3.36Å; I175-K178 PolarHBondContact O-N 2.85Å; I176-K178 PolarHBondContact O-N 2.78Å; K178-L257 HydrophobicContact CB-CD1 4.21Å; K178-L257 HydrophobicContact CG-CD1 4.18Å
179	A	98.1	Very high	97.7	Very high	12 Å²	12	54.9 Å²	54.9	10%	0.099	27%	0.27	C	S	.	.	S	Bend	trans	-114.4	159.8	-175.9	0	0	0	0	0	112.7	L147 V152 I175 G181	L147-A179 HydrophobicContact CD1-CB 4.23Å; L147-A179 HydrophobicContact CG-CB 4.28Å; L147-A179 VanDerWaalsContact O-CA 3.27Å; L147-A179 WeakPolarHBondContact O-CA 3.49Å; V152-A179 HydrophobicContact CG2-CB 3.93Å; I175-A179 HydrophobicContact CG2-CB 4.06Å; I175-A179 WeakPolarHBondContact O-CB 3.35Å; I175-A179 PolarHBondContact O-N 2.97Å; A179-G181 VanDerWaalsContact C-N 3.28Å; A179-G181 PolarHBondContact O-N 3.01Å
180	R	97.7	Very high	97.8	Very high	159 Å²	159	52.3 Å²	52.3	60%	0.6	25%	0.252	S	S	*	.	S	Bend	trans	-63.1	-34.7	-179.8	179.8	-179.9	64.3	178.9	-8.4	112.3	S148 Q149 A150 D201	S148-R180 PolarHBondContact O-N 3.06Å; Q149-R180 WeakPolarHBondContact O-CD 3.27Å; Q149-R180 VanDerWaalsContact O-CZ 3.26Å; Q149-R180 PolarHBondContact O-NE 2.8Å; Q149-R180 VanDerWaalsContact O-NE 3.07Å; A150-R180 WeakPolarHBondContact O-CB 3.27Å; A150-R180 PolarHBondContact O-N 2.94Å; R180-D201 IonicContact NH2-OD2 3.91Å
181	G	97.8	Very high	97.8	Very high	6 Å²	6	49.1 Å²	49.1	6%	0.062	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-178.7	165.8	-179.7	0	0	0	0	0	113.2	V152 A179	V152-G181 PolarHBondContact N-O 3.04Å; A179-G181 VanDerWaalsContact C-N 3.28Å; A179-G181 PolarHBondContact O-N 3.01Å
182	V	98.2	Very high	97.9	Very high	29 Å²	29	49.1 Å²	49.1	18%	0.176	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	145.8	174.7	176.9	0	0	0	0	110	V152 T154 I172 I175 I176	V152-V182 HydrophobicContact CB-CG2 4.34Å; V152-V182 CarbonylContact O-C 3.55Å; V152-V182 WeakPolarHBondContact O-CA 3.46Å; T154-V182 HydrophobicContact CG2-CG1 3.7Å; I172-V182 HydrophobicContact CD1-CG1 4.25Å; I175-V182 HydrophobicContact CG2-CG2 4.12Å; I176-V182 HydrophobicContact CB-CG2 4.42Å; I176-V182 HydrophobicContact CD1-CB 4.45Å; I176-V182 HydrophobicContact CD1-CG2 3.99Å
183	R	98.1	Very high	97.9	Very high	142 Å²	142	47.7 Å²	47.7	54%	0.536	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	147.5	174.6	-64.6	-66.6	-178.4	-83.8	-0.9	111.5	L151 V152 L153 T154	L151-R183 HydrophobicContact CD1-CG 3.79Å; L151-R183 HydrophobicContact CD2-CG 4.17Å; L151-R183 HydrophobicContact CG-CG 4.15Å; V152-R183 PolarHBondContact O-N 3.11Å; L153-R183 WeakPolarHBondContact CA-O 3.26Å; L153-R183 HydrophobicContact CD1-CB 4.33Å; L153-R183 HydrophobicContact CG-CB 4.31Å; T154-R183 PolarHBondContact N-O 3.21Å; T154-R183 VanDerWaalsContact N-O 3.08Å
184	T	97.3	Very high	98	Very high	61 Å²	61	39.7 Å²	39.7	37%	0.374	20%	0.198	S	C	.	.			trans	-130.7	133.5	172.8	-62	0	0	0	0	108.1	T154 D155	T154-T184 WeakPolarHBondContact O-CA 3.23Å; T154-T184 WeakPolarHBondContact O-CB 3.32Å; T154-T184 WeakPolarHBondContact O-CG2 3.28Å; T154-T184 PolarHBondContact O-OG1 3.37Å; D155-T184 HydrophobicContact CB-CG2 4.4Å; D155-T184 VanDerWaalsContact OD2-CG2 3.25Å; D155-T184 WeakPolarHBondContact OD2-CG2 3.48Å
185	M	96.5	Very high	98	Very high	23 Å²	23	36.6 Å²	36.6	11%	0.113	18%	0.184	C	C	.	.			trans	-122	-16.1	-175.7	-64.3	-166.4	-62.4	0	0	112.2	N90 F97 L153 L190 H191 Q194	N90-M185 PolarHBondContact ND2-O 3.32Å; F97-M185 HydrophobicContact CB-CB 4.41Å; F97-M185 WeakPolarHBondContact CB-O 3.45Å; F97-M185 HydrophobicContact CD1-CB 4.24Å; F97-M185 HydrophobicContact CD1-CG 4.39Å; F97-M185 HydrophobicContact CD1-SD 3.72Å; F97-M185 HydrophobicContact CE1-CG 4.41Å; F97-M185 HydrophobicContact CE1-SD 3.51Å; F97-M185 VanDerWaalsContact CE1-SD 3.51Å; F97-M185 HydrophobicContact CG-CB 4.2Å; F97-M185 HydrophobicContact CZ-SD 4.18Å; L153-M185 HydrophobicContact CD2-CE 4.16Å; M185-L190 HydrophobicContact CE-CB 4.23Å; M185-H191 HydrophobicContact CE-CB 4.16Å; M185-H191 WeakPolarHBondContact CE-CD2 3.31Å; M185-H191 PolarHBondContact N-CE1 2.95Å; M185-H191 PolarHBondContact N-NE2 3.2Å; M185-Q194 HydrophobicContact CE-CB 4.36Å; M185-Q194 HydrophobicContact CE-CG 3.51Å; M185-Q194 HydrophobicContact SD-CG 4.09Å
186	G	97	Very high	98.1	Very high	20 Å²	20	36.6 Å²	36.6	21%	0.206	18%	0.184	C	C	.	.	S	Bend	trans	85.7	18.3	179.2	0	0	0	0	0	115.3	G87 N90 D155	G87-G186 WeakPolarHBondContact CA-O 3.28Å; N90-G186 WeakPolarHBondContact ND2-CA 3.14Å; N90-G186 PolarHBondContact ND2-O 3.41Å; D155-G186 WeakPolarHBondContact OD2-CA 3.17Å; D155-G186 PolarHBondContact OD2-N 3.03Å
187	S	98.1	Very high	98.1	Very high	1 Å²	1	33.6 Å²	33.6	1%	0.007	17%	0.171	C	C	.	.			trans	-156.6	117	177.3	149.9	0	0	0	0	109.7	D86 L190 H191	D86-S187 VanDerWaalsContact CG-OG 3.28Å; D86-S187 WeakPolarHBondContact OD1-CA 3.36Å; D86-S187 WeakPolarHBondContact OD2-CA 2.92Å; D86-S187 VanDerWaalsContact OD2-CB 3.28Å; D86-S187 WeakPolarHBondContact OD2-CB 3.26Å; D86-S187 PolarHBondContact OD2-OG 3.19Å; S187-L190 PolarHBondContact O-N 3.44Å; S187-L190 VanDerWaalsContact OG-CB 3.31Å; S187-L190 WeakPolarHBondContact OG-CB 3.25Å; S187-L190 VanDerWaalsContact OG-CG 3.3Å; S187-L190 WeakPolarHBondContact OG-CG 3.38Å; S187-L190 PolarHBondContact OG-N 2.9Å; S187-L190 VanDerWaalsContact OG-N 3.14Å; S187-H191 PolarHBondContact O-N 3.35Å; S187-H191 PolarHBondContact O-ND1 3.11Å
188	A	98.4	Very high	98.2	Very high	4 Å²	4	30.9 Å²	30.9	3%	0.033	16%	0.157	C	C	.	.	H	α-helix	trans	-66.2	-39.9	-176.8	0	0	0	0	0	111.4	D86 L190 H191 M192 F203 I208 D212	D86-A188 PolarHBondContact OD2-N 3.4Å; D86-A188 VanDerWaalsContact OD2-N 3.1Å; A188-L190 VanDerWaalsContact C-N 3.35Å; A188-L190 PolarHBondContact O-N 2.78Å; A188-H191 PolarHBondContact O-N 3.47Å; A188-M192 WeakPolarHBondContact O-CG 3.17Å; A188-M192 PolarHBondContact O-N 2.9Å; A188-F203 HydrophobicContact CB-CE1 4.47Å; A188-F203 HydrophobicContact CB-CZ 3.87Å; A188-I208 HydrophobicContact CB-CG2 4.06Å; A188-D212 HydrophobicContact CB-CB 4.13Å
189	A	98.7	Very high	98.2	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-61.7	-44.3	177.5	0	0	0	0	0	110.7	D86 V115 M192 C193 D212	D86-A189 HydrophobicContact CB-CB 4.43Å; D86-A189 WeakPolarHBondContact OD2-CB 3.44Å; D86-A189 PolarHBondContact OD2-N 3.2Å; V115-A189 HydrophobicContact CG1-CB 3.9Å; V115-A189 HydrophobicContact CG2-CB 4.18Å; A189-M192 PolarHBondContact O-N 3.36Å; A189-C193 WeakPolarHBondContact O-CB 3.37Å; A189-C193 PolarHBondContact O-N 2.79Å; A189-C193 PolarHBondContact O-SG 3.43Å; A189-D212 WeakPolarHBondContact CA-O 3.2Å; A189-D212 WeakPolarHBondContact CB-O 3.37Å; A189-D212 PolarHBondContact N-O 2.91Å
190	L	98.7	Very high	98.2	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-70.1	-37	177.4	-69.3	174.3	0	0	0	112.2	F97 C99 V115 N117 F124 M185 S187 A188 M192 C193 Q194	F97-L190 HydrophobicContact CB-CD1 3.87Å; F97-L190 HydrophobicContact CD1-CD1 4.27Å; C99-L190 HydrophobicContact CB-CD1 4.17Å; C99-L190 HydrophobicContact CB-CD2 4.09Å; C99-L190 HydrophobicContact CB-CG 4.06Å; V115-L190 HydrophobicContact CG1-CD2 4.19Å; N117-L190 HydrophobicContact CB-CD1 4.37Å; N117-L190 HydrophobicContact CB-CD2 4.03Å; F124-L190 HydrophobicContact CE2-CD2 4.45Å; M185-L190 HydrophobicContact CE-CB 4.23Å; S187-L190 PolarHBondContact O-N 3.44Å; S187-L190 VanDerWaalsContact OG-CB 3.31Å; S187-L190 WeakPolarHBondContact OG-CB 3.25Å; S187-L190 VanDerWaalsContact OG-CG 3.3Å; S187-L190 WeakPolarHBondContact OG-CG 3.38Å; S187-L190 PolarHBondContact OG-N 2.9Å; S187-L190 VanDerWaalsContact OG-N 3.14Å; A188-L190 VanDerWaalsContact C-N 3.35Å; A188-L190 PolarHBondContact O-N 2.78Å; L190-M192 VanDerWaalsContact C-N 3.34Å; L190-M192 PolarHBondContact O-N 2.87Å; L190-C193 PolarHBondContact O-N 2.65Å; L190-Q194 WeakPolarHBondContact O-CG 3.31Å; L190-Q194 PolarHBondContact O-N 3.41Å
191	H	98.7	Very high	98.2	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-56.2	-50.1	172.5	-72.9	132.7	0	0	0	111.8	L153 T154 D155 M185 S187 A188 C193 Q194 I195 F203	L153-H191 HydrophobicContact CB-CB 4.3Å; L153-H191 HydrophobicContact CD2-CB 4.15Å; L153-H191 WeakPolarHBondContact CD2-O 3.37Å; T154-H191 PolarHBondContact O-CE1 3.03Å; T154-H191 PolarHBondContact O-NE2 2.78Å; D155-H191 IonicContact OD2-CE1 3.14Å; D155-H191 PolarHBondContact OD2-CE1 2.75Å; M185-H191 HydrophobicContact CE-CB 4.16Å; M185-H191 WeakPolarHBondContact CE-CD2 3.31Å; M185-H191 PolarHBondContact N-CE1 2.95Å; M185-H191 PolarHBondContact N-NE2 3.2Å; S187-H191 PolarHBondContact O-N 3.35Å; S187-H191 PolarHBondContact O-ND1 3.11Å; A188-H191 PolarHBondContact O-N 3.47Å; H191-C193 VanDerWaalsContact C-N 3.35Å; H191-C193 PolarHBondContact O-N 3.47Å; H191-Q194 WeakPolarHBondContact O-CB 3.17Å; H191-Q194 PolarHBondContact O-N 3.33Å; H191-Q194 VanDerWaalsContact O-N 3.16Å; H191-I195 PolarHBondContact O-N 2.71Å; H191-F203 HydrophobicContact CB-CD2 3.35Å; H191-F203 HydrophobicContact CB-CE2 3.53Å; H191-F203 HydrophobicContact CB-CG 3.95Å; H191-F203 HydrophobicContact CB-CZ 4.26Å; H191-F203 AromaticContact CG-CD2 3.82Å; H191-F203 AromaticContact CG-CE2 3.74Å; H191-F203 AromaticContact ND1-CE2 3.48Å; H191-F203 WeakPolarHBondContact ND1-CE2 3.47Å
192	M	98.8	Very high	98.3	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-64.6	-38.1	178.2	-71.6	-174.6	63.9	0	0	112.4	A188 A189 L190 Q194 I195 A196 F203 Y213 A216 V217 V220 V242 C244	A188-M192 WeakPolarHBondContact O-CG 3.17Å; A188-M192 PolarHBondContact O-N 2.9Å; A189-M192 PolarHBondContact O-N 3.36Å; L190-M192 VanDerWaalsContact C-N 3.34Å; L190-M192 PolarHBondContact O-N 2.87Å; M192-Q194 VanDerWaalsContact C-N 3.28Å; M192-Q194 PolarHBondContact O-N 2.96Å; M192-I195 WeakPolarHBondContact O-CA 3.36Å; M192-I195 WeakPolarHBondContact O-CB 3.49Å; M192-I195 PolarHBondContact O-N 3.12Å; M192-A196 PolarHBondContact O-N 3.13Å; M192-F203 HydrophobicContact CG-CD1 3.33Å; M192-F203 HydrophobicContact CG-CE1 3.68Å; M192-F203 HydrophobicContact CG-CG 4.08Å; M192-F203 HydrophobicContact SD-CD1 4.06Å; M192-F203 HydrophobicContact SD-CE1 4.02Å; M192-Y213 VanDerWaalsContact SD-CB 3.57Å; M192-A216 HydrophobicContact CB-CB 3.48Å; M192-A216 VanDerWaalsContact CB-CB 3.48Å; M192-A216 HydrophobicContact CE-CB 4.05Å; M192-A216 HydrophobicContact CG-CB 4.3Å; M192-A216 HydrophobicContact SD-CB 4Å; M192-V217 HydrophobicContact CE-CB 4.42Å; M192-V217 HydrophobicContact CE-CG2 3.75Å; M192-V220 HydrophobicContact CB-CG2 4.15Å; M192-V220 HydrophobicContact CE-CG2 4.17Å; M192-V220 WeakPolarHBondContact O-CG2 3.16Å; M192-V242 HydrophobicContact CE-CG2 4.49Å; M192-V242 HydrophobicContact SD-CG1 4.18Å; M192-C244 HydrophobicContact CE-CB 3.9Å; M192-C244 HydrophobicContact CG-CB 4.14Å; M192-C244 HydrophobicContact SD-CB 4.49Å
193	C	98.8	Very high	98.3	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-63.8	-31.5	174.2	-70.2	0	0	0	0	112.7	F124 A189 L190 H191 I195 A196 A197	F124-C193 HydrophobicContact CB-CB 4.42Å; F124-C193 HydrophobicContact CD1-CB 3.77Å; F124-C193 HydrophobicContact CD2-CB 3.69Å; F124-C193 HydrophobicContact CE1-CB 3.83Å; F124-C193 HydrophobicContact CE2-CB 3.75Å; F124-C193 HydrophobicContact CG-CB 3.7Å; F124-C193 HydrophobicContact CZ-CB 3.81Å; A189-C193 WeakPolarHBondContact O-CB 3.37Å; A189-C193 PolarHBondContact O-N 2.79Å; A189-C193 PolarHBondContact O-SG 3.43Å; L190-C193 PolarHBondContact O-N 2.65Å; H191-C193 VanDerWaalsContact C-N 3.35Å; H191-C193 PolarHBondContact O-N 3.47Å; C193-I195 VanDerWaalsContact C-N 3.35Å; C193-A196 WeakPolarHBondContact O-CB 3.42Å; C193-A196 PolarHBondContact O-N 2.87Å; C193-A197 WeakPolarHBondContact O-CB 3.24Å; C193-A197 PolarHBondContact O-N 3.45Å
194	Q	98.7	Very high	98.3	Very high	21 Å²	21	13.9 Å²	13.9	10%	0.098	9%	0.09	C	C	.	.	H	α-helix	trans	-68.3	-33.6	171.3	-64.6	-54.4	-46.3	0	0	112.4	L153 M185 L190 H191 M192 A197 G198 N199 G200	L153-Q194 HydrophobicContact CD2-CB 3.86Å; L153-Q194 HydrophobicContact CD2-CG 4.5Å; M185-Q194 HydrophobicContact CE-CB 4.36Å; M185-Q194 HydrophobicContact CE-CG 3.51Å; M185-Q194 HydrophobicContact SD-CG 4.09Å; L190-Q194 WeakPolarHBondContact O-CG 3.31Å; L190-Q194 PolarHBondContact O-N 3.41Å; H191-Q194 WeakPolarHBondContact O-CB 3.17Å; H191-Q194 PolarHBondContact O-N 3.33Å; H191-Q194 VanDerWaalsContact O-N 3.16Å; M192-Q194 VanDerWaalsContact C-N 3.28Å; M192-Q194 PolarHBondContact O-N 2.96Å; Q194-A197 PolarHBondContact O-N 2.85Å; Q194-G198 PolarHBondContact O-N 3.12Å; Q194-N199 HydrophobicContact CB-CB 4.3Å; Q194-N199 PolarHBondContact O-N 3.39Å; Q194-N199 VanDerWaalsContact OE1-CB 3.31Å; Q194-N199 PolarHBondContact OE1-ND2 3.15Å; Q194-G200 PolarHBondContact O-N 2.66Å
195	I	98.8	Very high	98.3	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-64.3	-46.7	171	-51.3	-49.7	0	0	0	110	T141 L153 H191 M192 C193 A197 G198 I202 F203	T141-I195 WeakPolarHBondContact CG2-O 3.3Å; L153-I195 HydrophobicContact CD1-CD1 4.4Å; L153-I195 HydrophobicContact CD2-CD1 4.06Å; H191-I195 PolarHBondContact O-N 2.71Å; M192-I195 WeakPolarHBondContact O-CA 3.36Å; M192-I195 WeakPolarHBondContact O-CB 3.49Å; M192-I195 PolarHBondContact O-N 3.12Å; C193-I195 VanDerWaalsContact C-N 3.35Å; I195-A197 PolarHBondContact O-N 3.44Å; I195-G198 PolarHBondContact O-N 3.34Å; I195-I202 VanDerWaalsContact CD1-C 3.49Å; I195-F203 HydrophobicContact CD1-CB 4.22Å; I195-F203 HydrophobicContact CG1-CB 3.81Å
196	A	98.9	Very high	98.3	Very high	0 Å²	0	10.7 Å²	10.7	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-57.5	-36.4	176.4	0	0	0	0	0	112.7	I139 H140 T141 M192 C193 G198 I219 V220 A223	I139-A196 HydrophobicContact CD1-CB 3.95Å; H140-A196 CarbonylContact C-O 3.5Å; T141-A196 PolarHBondContact N-O 2.76Å; M192-A196 PolarHBondContact O-N 3.13Å; C193-A196 WeakPolarHBondContact O-CB 3.42Å; C193-A196 PolarHBondContact O-N 2.87Å; A196-G198 VanDerWaalsContact C-N 3.29Å; A196-G198 PolarHBondContact O-N 2.76Å; A196-I219 HydrophobicContact CB-CG2 3.79Å; A196-V220 HydrophobicContact CB-CG2 4.01Å; A196-A223 HydrophobicContact CB-CB 3.92Å; A196-A223 WeakPolarHBondContact O-CB 3.43Å
197	A	98.6	Very high	98.2	Very high	20 Å²	20	10.5 Å²	10.5	17%	0.165	7%	0.068	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.6	-4.8	176.6	0	0	0	0	0	114.7	F124 H140 C193 Q194 I195 N199	F124-A197 HydrophobicContact CE1-CB 4.19Å; H140-A197 CarbonylContact O-C 3.52Å; C193-A197 WeakPolarHBondContact O-CB 3.24Å; C193-A197 PolarHBondContact O-N 3.45Å; Q194-A197 PolarHBondContact O-N 2.85Å; I195-A197 PolarHBondContact O-N 3.44Å; A197-N199 VanDerWaalsContact C-N 3.25Å; A197-N199 PolarHBondContact O-N 2.88Å
198	G	98.4	Very high	98.1	Very high	28 Å²	28	10.7 Å²	10.7	29%	0.289	7%	0.069	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.1	14.3	-175.6	0	0	0	0	0	114.6	H140 Q194 I195 A196	H140-G198 PolarHBondContact O-N 3.08Å; Q194-G198 PolarHBondContact O-N 3.12Å; I195-G198 PolarHBondContact O-N 3.34Å; A196-G198 VanDerWaalsContact C-N 3.29Å; A196-G198 PolarHBondContact O-N 2.76Å
199	N	97.8	Very high	98	Very high	100 Å²	100	11.9 Å²	11.9	54%	0.535	7%	0.074	S	C	.	.	S	Bend	trans	-86.3	-17.2	178.3	-67.7	-26.6	0	0	0	112.9	Q194 A197	Q194-N199 HydrophobicContact CB-CB 4.3Å; Q194-N199 PolarHBondContact O-N 3.39Å; Q194-N199 VanDerWaalsContact OE1-CB 3.31Å; Q194-N199 PolarHBondContact OE1-ND2 3.15Å; A197-N199 VanDerWaalsContact C-N 3.25Å; A197-N199 PolarHBondContact O-N 2.88Å
200	G	98.1	Very high	98	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	7%	0.074	C	C	.	.			trans	-133.6	165.3	166.5	0	0	0	0	0	109.6	Q194	Q194-G200 PolarHBondContact O-N 2.66Å
201	D	98.7	Very high	97.9	Very high	11 Å²	11	12.1 Å²	12.1	6%	0.059	8%	0.075	C	C	.	.	S	Bend	trans	-108.6	-34.3	-170.9	-60.8	-68	0	0	0	112.3	S142 L144 A150 L151 R180 A245 G246 L250	S142-D201 VanDerWaalsContact CB-OD1 3.32Å; S142-D201 WeakPolarHBondContact CB-OD1 3.39Å; S142-D201 PolarHBondContact OG-OD1 2.82Å; L144-D201 HydrophobicContact CD2-CB 4.25Å; A150-D201 WeakPolarHBondContact CA-OD2 3.46Å; A150-D201 HydrophobicContact CB-CB 3.82Å; L151-D201 PolarHBondContact N-OD2 3.41Å; L151-D201 PolarHBondContact O-N 3.29Å; R180-D201 IonicContact NH2-OD2 3.91Å; D201-A245 CarbonylContact O-C 3.48Å; D201-A245 WeakPolarHBondContact O-CA 3.39Å; D201-G246 PolarHBondContact O-N 3.08Å; D201-L250 HydrophobicContact CB-CD1 3.95Å
202	I	98.5	Very high	97.9	Very high	0 Å²	0	13 Å²	13	0%	0	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	141	177.1	-47.8	175.3	0	0	0	109.8	L147 L151 V152 L153 I195 I243 C244 A245 L250 L254	L147-I202 HydrophobicContact CD1-CD1 3.74Å; L151-I202 PolarHBondContact O-N 3.49Å; V152-I202 CarbonylContact C-O 3.55Å; V152-I202 WeakPolarHBondContact CA-O 3.23Å; V152-I202 HydrophobicContact CG2-CB 4.49Å; L153-I202 PolarHBondContact N-O 3.08Å; I195-I202 VanDerWaalsContact CD1-C 3.49Å; I202-I243 HydrophobicContact CG2-CG2 4.13Å; I202-C244 CarbonylContact C-O 3.58Å; I202-C244 VanDerWaalsContact CA-O 3.29Å; I202-C244 WeakPolarHBondContact CA-O 3.3Å; I202-C244 WeakPolarHBondContact CG2-O 3.36Å; I202-A245 HydrophobicContact CB-CB 4.49Å; I202-A245 HydrophobicContact CG1-CB 4.1Å; I202-A245 HydrophobicContact CG2-CB 4.23Å; I202-L250 HydrophobicContact CD1-CB 3.67Å; I202-L250 HydrophobicContact CD1-CD1 4.4Å; I202-L250 HydrophobicContact CD1-CD2 3.92Å; I202-L250 HydrophobicContact CD1-CG 4.19Å; I202-L250 HydrophobicContact CG1-CB 3.83Å; I202-L250 HydrophobicContact CG1-CD1 4.01Å; I202-L250 HydrophobicContact CG1-CD2 4.43Å; I202-L250 HydrophobicContact CG1-CG 4.31Å; I202-L254 HydrophobicContact CD1-CB 4.31Å; I202-L254 HydrophobicContact CG2-CD2 3.6Å
203	F	98.6	Very high	97.9	Very high	0 Å²	0	13 Å²	13	0%	0	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	142.6	164	167.7	-104.2	0	0	0	109.6	L153 A188 H191 M192 I195 E205 V242 I243 C244	L153-F203 HydrophobicContact CB-CB 4.15Å; L153-F203 HydrophobicContact CB-CD2 4.02Å; L153-F203 VanDerWaalsContact O-CA 3.26Å; L153-F203 WeakPolarHBondContact O-CA 3.5Å; L153-F203 WeakPolarHBondContact O-CD2 3.25Å; A188-F203 HydrophobicContact CB-CE1 4.47Å; A188-F203 HydrophobicContact CB-CZ 3.87Å; H191-F203 HydrophobicContact CB-CD2 3.35Å; H191-F203 HydrophobicContact CB-CE2 3.53Å; H191-F203 HydrophobicContact CB-CG 3.95Å; H191-F203 HydrophobicContact CB-CZ 4.26Å; H191-F203 AromaticContact CG-CD2 3.82Å; H191-F203 AromaticContact CG-CE2 3.74Å; H191-F203 AromaticContact ND1-CE2 3.48Å; H191-F203 WeakPolarHBondContact ND1-CE2 3.47Å; M192-F203 HydrophobicContact CG-CD1 3.33Å; M192-F203 HydrophobicContact CG-CE1 3.68Å; M192-F203 HydrophobicContact CG-CG 4.08Å; M192-F203 HydrophobicContact SD-CD1 4.06Å; M192-F203 HydrophobicContact SD-CE1 4.02Å; I195-F203 HydrophobicContact CD1-CB 4.22Å; I195-F203 HydrophobicContact CG1-CB 3.81Å; F203-E205 HydrophobicContact CE1-CB 4.1Å; F203-E205 HydrophobicContact CE2-CB 4.07Å; F203-E205 HydrophobicContact CZ-CB 3.51Å; F203-E205 HydrophobicContact CZ-CG 4.48Å; F203-E205 VanDerWaalsContact CZ-OE2 3.27Å; F203-E205 WeakPolarHBondContact CZ-OE2 3.5Å; F203-V242 HydrophobicContact CD1-CG1 4.03Å; F203-V242 HydrophobicContact CE1-CG1 3.62Å; F203-I243 WeakPolarHBondContact O-CA 3.29Å; F203-C244 HydrophobicContact CB-CB 4.27Å; F203-C244 HydrophobicContact CD1-CB 4.29Å; F203-C244 PolarHBondContact N-O 2.93Å; F203-C244 PolarHBondContact O-N 2.98Å
204	F	98.3	Very high	97.9	Very high	3 Å²	3	13 Å²	13	1%	0.013	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	145.1	169.4	76.6	-77.8	0	0	0	110.6	V152 L153 T154 I172 I175 F206 F230 V242 I243 L254 I258	V152-F204 HydrophobicContact CG1-CD1 3.81Å; V152-F204 HydrophobicContact CG1-CE1 3.69Å; L153-F204 PolarHBondContact O-N 2.72Å; T154-F204 WeakPolarHBondContact CB-O 3.38Å; T154-F204 HydrophobicContact CG2-CE1 4.24Å; T154-F204 HydrophobicContact CG2-CZ 4.41Å; T154-F204 PolarHBondContact OG1-O 2.66Å; I172-F204 HydrophobicContact CD1-CE1 4.41Å; I172-F204 HydrophobicContact CD1-CZ 3.85Å; I175-F204 HydrophobicContact CD1-CD1 4.23Å; I175-F204 HydrophobicContact CD1-CE1 3.31Å; I175-F204 HydrophobicContact CD1-CE2 4.15Å; I175-F204 HydrophobicContact CD1-CZ 3.25Å; F204-F206 AromaticContact CD2-CE2 3.84Å; F204-F206 HydrophobicContact CD2-CE2 3.84Å; F204-F206 HydrophobicContact CD2-CZ 4.33Å; F204-F206 AromaticContact CE2-CE2 3.8Å; F204-F206 HydrophobicContact CE2-CE2 3.8Å; F204-F230 HydrophobicContact CB-CE1 4.09Å; F204-F230 HydrophobicContact CD2-CE1 4.46Å; F204-V242 VanDerWaalsContact CA-O 3.31Å; F204-V242 WeakPolarHBondContact CA-O 3.42Å; F204-I243 HydrophobicContact CB-CG1 4.18Å; F204-L254 HydrophobicContact CB-CD2 3.85Å; F204-L254 HydrophobicContact CD1-CD2 3.89Å; F204-L254 HydrophobicContact CG-CD2 3.96Å; F204-I258 HydrophobicContact CD2-CG2 4.45Å; F204-I258 HydrophobicContact CE2-CG2 4.27Å
205	E	97.6	Very high	97.9	Very high	11 Å²	11	12 Å²	12	5%	0.051	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.1	145.7	175.5	-165.4	166.4	171.3	0	0	113.8	D155 F203 I208 F230 N241 V242	D155-E205 WeakPolarHBondContact CB-OE1 3.46Å; D155-E205 WeakPolarHBondContact CB-OE2 3.33Å; F203-E205 HydrophobicContact CE1-CB 4.1Å; F203-E205 HydrophobicContact CE2-CB 4.07Å; F203-E205 HydrophobicContact CZ-CB 3.51Å; F203-E205 HydrophobicContact CZ-CG 4.48Å; F203-E205 VanDerWaalsContact CZ-OE2 3.27Å; F203-E205 WeakPolarHBondContact CZ-OE2 3.5Å; E205-I208 HydrophobicContact CB-CD1 4.4Å; E205-I208 HydrophobicContact CB-CG2 4.11Å; E205-I208 HydrophobicContact CG-CG2 3.69Å; E205-F230 WeakPolarHBondContact O-CZ 3.4Å; E205-N241 WeakPolarHBondContact O-CA 3.5Å; E205-V242 PolarHBondContact N-O 2.84Å; E205-V242 VanDerWaalsContact N-O 3.14Å; E205-V242 PolarHBondContact O-N 3.12Å
206	F	95.8	Very high	97.9	Very high	6 Å²	6	12 Å²	12	3%	0.026	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	135.9	175.2	-47.2	-96.9	0	0	0	110.4	K168 F204 F230 I258 P260 V261 Y263	K168-F206 PolarHBondContact NZ-O 3.43Å; F204-F206 AromaticContact CD2-CE2 3.84Å; F204-F206 HydrophobicContact CD2-CE2 3.84Å; F204-F206 HydrophobicContact CD2-CZ 4.33Å; F204-F206 AromaticContact CE2-CE2 3.8Å; F204-F206 HydrophobicContact CE2-CE2 3.8Å; F206-F230 HydrophobicContact CB-CE2 4.31Å; F206-F230 AromaticContact CD1-CD2 3.47Å; F206-F230 HydrophobicContact CD1-CD2 3.47Å; F206-F230 VanDerWaalsContact CD1-CD2 3.47Å; F206-F230 AromaticContact CD1-CE2 2.86Å; F206-F230 HydrophobicContact CD1-CE2 2.86Å; F206-F230 AromaticContact CD1-CZ 3.57Å; F206-F230 HydrophobicContact CD1-CZ 3.57Å; F206-F230 HydrophobicContact CD2-CE2 4.28Å; F206-F230 HydrophobicContact CD2-CZ 4.21Å; F206-F230 HydrophobicContact CE1-CD1 4.2Å; F206-F230 AromaticContact CE1-CD2 3.15Å; F206-F230 HydrophobicContact CE1-CD2 3.15Å; F206-F230 HydrophobicContact CE1-CE1 4.02Å; F206-F230 AromaticContact CE1-CE2 2.85Å; F206-F230 HydrophobicContact CE1-CE2 2.85Å; F206-F230 AromaticContact CE1-CG 3.82Å; F206-F230 HydrophobicContact CE1-CG 3.82Å; F206-F230 AromaticContact CE1-CZ 3.35Å; F206-F230 HydrophobicContact CE1-CZ 3.35Å; F206-F230 HydrophobicContact CE2-CE2 4.33Å; F206-F230 HydrophobicContact CE2-CZ 4.1Å; F206-F230 AromaticContact CG-CE2 3.58Å; F206-F230 HydrophobicContact CG-CE2 3.58Å; F206-F230 AromaticContact CG-CZ 3.93Å; F206-F230 HydrophobicContact CG-CZ 3.93Å; F206-F230 HydrophobicContact CZ-CD1 4.45Å; F206-F230 HydrophobicContact CZ-CD2 4.12Å; F206-F230 HydrophobicContact CZ-CE1 4.08Å; F206-F230 AromaticContact CZ-CE2 3.67Å; F206-F230 HydrophobicContact CZ-CE2 3.67Å; F206-F230 HydrophobicContact CZ-CG 4.48Å; F206-F230 AromaticContact CZ-CZ 3.64Å; F206-F230 HydrophobicContact CZ-CZ 3.64Å; F206-I258 HydrophobicContact CZ-CB 4.45Å; F206-I258 HydrophobicContact CZ-CD1 4.31Å; F206-P260 VanDerWaalsContact CE1-CA 3.45Å; F206-P260 HydrophobicContact CE1-CB 4.13Å; F206-V261 HydrophobicContact CB-CB 3.96Å; F206-V261 HydrophobicContact CB-CG2 4.44Å; F206-V261 HydrophobicContact CD1-CB 3.94Å; F206-V261 HydrophobicContact CD1-CG2 4.3Å; F206-V261 VanDerWaalsContact CD1-N 3.26Å; F206-V261 HydrophobicContact CD2-CG2 4.38Å; F206-V261 HydrophobicContact CG-CB 3.97Å; F206-V261 HydrophobicContact CG-CG2 4.14Å; F206-Y263 HydrophobicContact CB-CD2 4.28Å; F206-Y263 HydrophobicContact CB-CE2 3.76Å
207	G	94.9	Very high	97.8	Very high	15 Å²	15	12 Å²	12	16%	0.155	8%	0.075	C	C	.	.	S	Bend	trans	93.1	-1.6	173	0	0	0	0	0	114.3	R240 Y263	G207-R240 PolarHBondContact N-O 2.81Å; G207-R240 PolarHBondContact O-NE 3.44Å; G207-R240 PolarHBondContact O-NH2 3.05Å; G207-Y263 VanDerWaalsContact CA-CD2 3.4Å; G207-Y263 VanDerWaalsContact CA-CE2 3.45Å
208	I	96.4	Very high	97.8	Very high	6 Å²	6	11.2 Å²	11.2	3%	0.031	7%	0.068	C	C	.	.			trans	-64.2	152.8	168.9	57	173.4	0	0	0	110.8	A188 E205 D212 Y213 R240 V242	A188-I208 HydrophobicContact CB-CG2 4.06Å; E205-I208 HydrophobicContact CB-CD1 4.4Å; E205-I208 HydrophobicContact CB-CG2 4.11Å; E205-I208 HydrophobicContact CG-CG2 3.69Å; I208-D212 WeakPolarHBondContact CA-OD2 3.31Å; I208-D212 HydrophobicContact CB-CB 4.06Å; I208-D212 WeakPolarHBondContact CB-OD2 3.37Å; I208-D212 HydrophobicContact CG2-CB 4.4Å; I208-Y213 HydrophobicContact CB-CD1 4.4Å; I208-Y213 HydrophobicContact CD1-CD1 3.42Å; I208-Y213 VanDerWaalsContact CD1-CD1 3.42Å; I208-Y213 HydrophobicContact CD1-CD2 4.44Å; I208-Y213 HydrophobicContact CD1-CE1 3.81Å; I208-Y213 HydrophobicContact CD1-CG 3.79Å; I208-Y213 HydrophobicContact CG1-CD1 3.89Å; I208-Y213 HydrophobicContact CG1-CE1 3.9Å; I208-R240 CarbonylContact O-C 3.57Å; I208-R240 WeakPolarHBondContact O-CA 3.46Å; I208-R240 WeakPolarHBondContact O-CB 3.49Å; I208-R240 WeakPolarHBondContact O-CD 3.47Å; I208-R240 PolarHBondContact O-NE 3.33Å; I208-V242 HydrophobicContact CD1-CB 4.23Å; I208-V242 HydrophobicContact CD1-CG1 3.49Å; I208-V242 VanDerWaalsContact CD1-CG1 3.49Å
209	H	96.9	Very high	97.9	Very high	28 Å²	28	9.9 Å²	9.9	13%	0.13	5%	0.054	C	C	.	.			trans	-101.1	161.6	176.9	-69.5	-90.3	0	0	0	111.2	W211 D212 Y213 R240 D266	H209-W211 HydrophobicContact CB-CD2 3.64Å; H209-W211 HydrophobicContact CB-CE3 4.03Å; H209-W211 HydrophobicContact CB-CG 4.29Å; H209-W211 HydrophobicContact CB-CH2 3.64Å; H209-W211 HydrophobicContact CB-CZ2 3.21Å; H209-W211 HydrophobicContact CB-CZ3 4.02Å; H209-W211 AromaticContact CD2-CZ2 3.61Å; H209-W211 AromaticContact CG-CE2 3.71Å; H209-W211 AromaticContact CG-CH2 3.57Å; H209-W211 AromaticContact CG-CZ2 3.18Å; H209-W211 AromaticContact ND1-CH2 3.41Å; H209-W211 WeakPolarHBondContact ND1-CH2 3.46Å; H209-W211 AromaticContact ND1-CZ2 3.51Å; H209-W211 PolarHBondContact O-N 3.45Å; H209-D212 PolarHBondContact N-OD2 3.27Å; H209-D212 WeakPolarHBondContact O-CB 3.15Å; H209-D212 PolarHBondContact O-N 2.9Å; H209-Y213 WeakPolarHBondContact O-CD1 3.14Å; H209-Y213 WeakPolarHBondContact O-CE1 3.4Å; H209-R240 PolarHBondContact CE1-NH1 3.01Å; H209-R240 PolarHBondContact CE1-NH2 3.42Å; H209-R240 VanDerWaalsContact CE1-NH2 3.26Å; H209-R240 PolarHBondContact ND1-NE 2.87Å; H209-R240 VanDerWaalsContact NE2-CZ 3.31Å; H209-R240 PolarHBondContact NE2-NH2 2.71Å; H209-D266 IonicContact CE1-OD1 2.72Å; H209-D266 IonicContact CG-OD1 2.66Å; H209-D266 IonicContact ND1-OD1 3.84Å; H209-D266 PolarHBondContact ND1-OD1 3.38Å
210	C	97.5	Very high	97.9	Very high	0 Å²	0	5.1 Å²	5.1	0%	0	3%	0.029	C	C	.	.	H	α-helix	trans	-52.4	-32.5	-175.7	64.7	0	0	0	0	114.1	A214 L237 M238 D266	C210-A214 WeakPolarHBondContact O-CA 3.46Å; C210-A214 WeakPolarHBondContact O-CB 3.15Å; C210-A214 PolarHBondContact O-N 3.21Å; C210-L237 HydrophobicContact CB-CB 4.16Å; C210-L237 VanDerWaalsContact CB-O 3.29Å; C210-L237 WeakPolarHBondContact CB-O 3.19Å; C210-M238 HydrophobicContact CB-CE 4.28Å; C210-M238 HydrophobicContact CB-SD 3.75Å; C210-D266 PolarHBondContact N-OD2 3.09Å
211	W	98.2	Very high	97.9	Very high	5 Å²	5	9.3 Å²	9.3	2%	0.019	5%	0.045	C	C	.	.	H	α-helix	trans	-69.7	-31.3	178.6	50.8	79.8	0	0	0	114.3	I63 E65 Y68 I81 I82 D83 S101 H209 Y213	I63-W211 HydrophobicContact CG2-CE3 4.18Å; I63-W211 HydrophobicContact CG2-CZ3 4.48Å; E65-W211 HydrophobicContact CB-CD2 3.94Å; E65-W211 HydrophobicContact CB-CG 4.03Å; E65-W211 HydrophobicContact CB-CZ2 4.11Å; E65-W211 HydrophobicContact CG-CD2 4.47Å; E65-W211 HydrophobicContact CG-CZ2 3.82Å; Y68-W211 AromaticContact CD1-CH2 3.61Å; Y68-W211 HydrophobicContact CD1-CH2 3.61Å; Y68-W211 HydrophobicContact CD1-CZ3 4.29Å; Y68-W211 AromaticContact CD2-CH2 3.94Å; Y68-W211 HydrophobicContact CD2-CH2 3.94Å; Y68-W211 AromaticContact CD2-CZ3 3.76Å; Y68-W211 HydrophobicContact CD2-CZ3 3.76Å; Y68-W211 HydrophobicContact CE1-CH2 4.1Å; Y68-W211 HydrophobicContact CE2-CH2 4.42Å; Y68-W211 HydrophobicContact CE2-CZ3 4.27Å; Y68-W211 AromaticContact CG-CH2 3.49Å; Y68-W211 HydrophobicContact CG-CH2 3.49Å; Y68-W211 VanDerWaalsContact CG-CH2 3.49Å; Y68-W211 AromaticContact CG-CZ3 3.77Å; Y68-W211 HydrophobicContact CG-CZ3 3.77Å; I81-W211 HydrophobicContact CG2-CB 3.93Å; I82-W211 VanDerWaalsContact O-CB 3.31Å; I82-W211 WeakPolarHBondContact O-CB 3.38Å; D83-W211 HydrophobicContact CB-CB 4.04Å; D83-W211 HydrophobicContact CB-CG 4.38Å; S101-W211 PolarHBondContact OG-O 3.16Å; H209-W211 HydrophobicContact CB-CD2 3.64Å; H209-W211 HydrophobicContact CB-CE3 4.03Å; H209-W211 HydrophobicContact CB-CG 4.29Å; H209-W211 HydrophobicContact CB-CH2 3.64Å; H209-W211 HydrophobicContact CB-CZ2 3.21Å; H209-W211 HydrophobicContact CB-CZ3 4.02Å; H209-W211 AromaticContact CD2-CZ2 3.61Å; H209-W211 AromaticContact CG-CE2 3.71Å; H209-W211 AromaticContact CG-CH2 3.57Å; H209-W211 AromaticContact CG-CZ2 3.18Å; H209-W211 AromaticContact ND1-CH2 3.41Å; H209-W211 WeakPolarHBondContact ND1-CH2 3.46Å; H209-W211 AromaticContact ND1-CZ2 3.51Å; H209-W211 PolarHBondContact O-N 3.45Å; W211-Y213 PolarHBondContact O-N 3.14Å
212	D	98	Very high	97.9	Very high	18 Å²	18	10.5 Å²	10.5	10%	0.096	5%	0.05	C	C	.	.	H	α-helix	trans	-63.1	-26.8	179.9	-54.6	-21.3	0	0	0	112.4	A188 A189 I208 H209	A188-D212 HydrophobicContact CB-CB 4.13Å; A189-D212 WeakPolarHBondContact CA-O 3.2Å; A189-D212 WeakPolarHBondContact CB-O 3.37Å; A189-D212 PolarHBondContact N-O 2.91Å; I208-D212 WeakPolarHBondContact CA-OD2 3.31Å; I208-D212 HydrophobicContact CB-CB 4.06Å; I208-D212 WeakPolarHBondContact CB-OD2 3.37Å; I208-D212 HydrophobicContact CG2-CB 4.4Å; H209-D212 PolarHBondContact N-OD2 3.27Å; H209-D212 WeakPolarHBondContact O-CB 3.15Å; H209-D212 PolarHBondContact O-N 2.9Å
213	Y	98	Very high	98	Very high	0 Å²	0	10.5 Å²	10.5	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-137.4	-9.6	-170.2	68.2	-74.4	0	0	0	115.9	M192 I208 H209 W211 A215 A216 V217 V235 L237 V242	M192-Y213 VanDerWaalsContact SD-CB 3.57Å; I208-Y213 HydrophobicContact CB-CD1 4.4Å; I208-Y213 HydrophobicContact CD1-CD1 3.42Å; I208-Y213 VanDerWaalsContact CD1-CD1 3.42Å; I208-Y213 HydrophobicContact CD1-CD2 4.44Å; I208-Y213 HydrophobicContact CD1-CE1 3.81Å; I208-Y213 HydrophobicContact CD1-CG 3.79Å; I208-Y213 HydrophobicContact CG1-CD1 3.89Å; I208-Y213 HydrophobicContact CG1-CE1 3.9Å; H209-Y213 WeakPolarHBondContact O-CD1 3.14Å; H209-Y213 WeakPolarHBondContact O-CE1 3.4Å; W211-Y213 PolarHBondContact O-N 3.14Å; Y213-A215 VanDerWaalsContact C-N 3.26Å; Y213-A215 PolarHBondContact O-N 2.74Å; Y213-A216 PolarHBondContact O-N 2.53Å; Y213-A216 VanDerWaalsContact O-N 3.14Å; Y213-V217 HydrophobicContact CD2-CG2 3.68Å; Y213-V217 HydrophobicContact CE2-CG2 4.42Å; Y213-V217 VanDerWaalsContact O-CG2 3.29Å; Y213-V217 WeakPolarHBondContact O-CG2 3.41Å; Y213-V217 PolarHBondContact O-N 3.49Å; Y213-V235 HydrophobicContact CE2-CG1 3.97Å; Y213-L237 HydrophobicContact CD2-CD2 4.06Å; Y213-L237 HydrophobicContact CE2-CD2 3.69Å; Y213-L237 VanDerWaalsContact OH-CA 3.28Å; Y213-L237 WeakPolarHBondContact OH-CA 3.47Å; Y213-L237 PolarHBondContact OH-O 3.15Å; Y213-V242 HydrophobicContact CD2-CB 4.01Å; Y213-V242 HydrophobicContact CD2-CG1 4.34Å; Y213-V242 HydrophobicContact CD2-CG2 4.07Å; Y213-V242 HydrophobicContact CE2-CB 4.06Å; Y213-V242 HydrophobicContact CE2-CG2 4.28Å
214	A	98.5	Very high	97.9	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-56	-39.1	-179.2	0	0	0	0	0	113.3	I81 A103 Y105 C210 L237	I81-A214 HydrophobicContact CB-CB 4.01Å; I81-A214 HydrophobicContact CD1-CB 3.8Å; I81-A214 HydrophobicContact CG1-CB 4.49Å; I81-A214 HydrophobicContact CG2-CB 3.86Å; A103-A214 HydrophobicContact CB-CB 4.06Å; Y105-A214 HydrophobicContact CE2-CB 3.93Å; Y105-A214 PolarHBondContact OH-O 3.02Å; C210-A214 WeakPolarHBondContact O-CA 3.46Å; C210-A214 WeakPolarHBondContact O-CB 3.15Å; C210-A214 PolarHBondContact O-N 3.21Å; A214-L237 HydrophobicContact CB-CD1 4.38Å; A214-L237 HydrophobicContact CB-CD2 4.21Å
215	A	98.8	Very high	98	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-71.3	-48.5	176.6	0	0	0	0	0	110.8	S101 A103 A113 V115 Y213 V217 L218 I219	S101-A215 VanDerWaalsContact OG-CB 3.24Å; S101-A215 WeakPolarHBondContact OG-CB 3.09Å; A103-A215 HydrophobicContact CB-CB 3.89Å; A113-A215 HydrophobicContact CB-CB 3.94Å; A113-A215 WeakPolarHBondContact CB-O 3.44Å; V115-A215 HydrophobicContact CG2-CB 3.77Å; Y213-A215 VanDerWaalsContact C-N 3.26Å; Y213-A215 PolarHBondContact O-N 2.74Å; A215-V217 VanDerWaalsContact C-N 3.28Å; A215-V217 PolarHBondContact O-N 2.82Å; A215-L218 PolarHBondContact O-N 3.37Å; A215-L218 VanDerWaalsContact O-N 3.16Å; A215-I219 WeakPolarHBondContact O-CG1 3.11Å; A215-I219 PolarHBondContact O-N 3.25Å
216	A	98.7	Very high	98	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-66.8	-28.2	-175.5	0	0	0	0	0	113	M192 Y213 L218 I219 V220	M192-A216 HydrophobicContact CB-CB 3.48Å; M192-A216 VanDerWaalsContact CB-CB 3.48Å; M192-A216 HydrophobicContact CE-CB 4.05Å; M192-A216 HydrophobicContact CG-CB 4.3Å; M192-A216 HydrophobicContact SD-CB 4Å; Y213-A216 PolarHBondContact O-N 2.53Å; Y213-A216 VanDerWaalsContact O-N 3.14Å; A216-L218 VanDerWaalsContact C-N 3.34Å; A216-L218 PolarHBondContact O-N 3.23Å; A216-I219 PolarHBondContact O-N 3.18Å; A216-V220 WeakPolarHBondContact O-CB 3.26Å; A216-V220 VanDerWaalsContact O-CG2 3.22Å; A216-V220 WeakPolarHBondContact O-CG2 3.48Å; A216-V220 PolarHBondContact O-N 3.06Å
217	V	98.5	Very high	98.1	Very high	1 Å²	1	15.6 Å²	15.6	1%	0.006	9%	0.089	C	C	.	.	H	α-helix	trans	-57.6	-45.8	172.1	167.2	0	0	0	0	111.4	M192 Y213 A215 R221 V235 L237	M192-V217 HydrophobicContact CE-CB 4.42Å; M192-V217 HydrophobicContact CE-CG2 3.75Å; Y213-V217 HydrophobicContact CD2-CG2 3.68Å; Y213-V217 HydrophobicContact CE2-CG2 4.42Å; Y213-V217 VanDerWaalsContact O-CG2 3.29Å; Y213-V217 WeakPolarHBondContact O-CG2 3.41Å; Y213-V217 PolarHBondContact O-N 3.49Å; A215-V217 VanDerWaalsContact C-N 3.28Å; A215-V217 PolarHBondContact O-N 2.82Å; V217-R221 VanDerWaalsContact O-CG 3.31Å; V217-R221 WeakPolarHBondContact O-CG 3.47Å; V217-R221 PolarHBondContact O-N 2.74Å; V217-R221 VanDerWaalsContact O-N 3.1Å; V217-V235 HydrophobicContact CG2-CG1 4.37Å; V217-L237 HydrophobicContact CG2-CD2 4.45Å
218	L	98.7	Very high	98.3	Very high	4 Å²	4	14.9 Å²	14.9	2%	0.021	8%	0.082	C	C	.	.	H	α-helix	trans	-64.1	-47.2	177.1	179.8	60.9	0	0	0	110.6	P110 A113 R128 A215 A216 V220 R221 E222	P110-L218 HydrophobicContact CB-CB 3.93Å; P110-L218 HydrophobicContact CB-CD1 4.11Å; P110-L218 HydrophobicContact CB-CD2 4.15Å; P110-L218 HydrophobicContact CB-CG 4.27Å; P110-L218 HydrophobicContact CG-CB 4.35Å; P110-L218 HydrophobicContact CG-CD1 4.14Å; A113-L218 HydrophobicContact CB-CB 3.9Å; A113-L218 HydrophobicContact CB-CD2 3.76Å; A113-L218 HydrophobicContact CB-CG 4.26Å; R128-L218 HydrophobicContact CB-CD1 4.41Å; A215-L218 PolarHBondContact O-N 3.37Å; A215-L218 VanDerWaalsContact O-N 3.16Å; A216-L218 VanDerWaalsContact C-N 3.34Å; A216-L218 PolarHBondContact O-N 3.23Å; L218-V220 VanDerWaalsContact C-N 3.31Å; L218-V220 PolarHBondContact O-N 3.06Å; L218-R221 PolarHBondContact O-N 3.2Å; L218-E222 HydrophobicContact CD1-CG 3.77Å; L218-E222 HydrophobicContact CG-CG 4.2Å; L218-E222 WeakPolarHBondContact O-CB 3.39Å; L218-E222 WeakPolarHBondContact O-CG 3.49Å; L218-E222 PolarHBondContact O-N 3.23Å
219	I	98.9	Very high	98.3	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-58.6	-43.9	-178.4	-62.8	168.5	0	0	0	110.8	A113 V115 F124 A132 I139 A196 A215 A216 A223	A113-I219 HydrophobicContact CB-CD1 4.29Å; A113-I219 HydrophobicContact CB-CG1 4.02Å; V115-I219 HydrophobicContact CB-CD1 4.1Å; V115-I219 HydrophobicContact CG2-CD1 3.71Å; F124-I219 HydrophobicContact CB-CD1 4.01Å; F124-I219 HydrophobicContact CB-CG2 4.44Å; A132-I219 HydrophobicContact CB-CG2 4.14Å; A132-I219 WeakPolarHBondContact CB-O 3.15Å; I139-I219 HydrophobicContact CD1-CG2 4.47Å; A196-I219 HydrophobicContact CB-CG2 3.79Å; A215-I219 WeakPolarHBondContact O-CG1 3.11Å; A215-I219 PolarHBondContact O-N 3.25Å; A216-I219 PolarHBondContact O-N 3.18Å; I219-A223 WeakPolarHBondContact O-CB 3.48Å; I219-A223 PolarHBondContact O-N 2.85Å
220	V	98.8	Very high	98.1	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-64.8	-46.5	177.3	170.7	0	0	0	0	111.6	M192 A196 A216 L218 E222 A223 G224 G225 C227 C244	M192-V220 HydrophobicContact CB-CG2 4.15Å; M192-V220 HydrophobicContact CE-CG2 4.17Å; M192-V220 WeakPolarHBondContact O-CG2 3.16Å; A196-V220 HydrophobicContact CB-CG2 4.01Å; A216-V220 WeakPolarHBondContact O-CB 3.26Å; A216-V220 VanDerWaalsContact O-CG2 3.22Å; A216-V220 WeakPolarHBondContact O-CG2 3.48Å; A216-V220 PolarHBondContact O-N 3.06Å; L218-V220 VanDerWaalsContact C-N 3.31Å; L218-V220 PolarHBondContact O-N 3.06Å; V220-E222 VanDerWaalsContact C-N 3.34Å; V220-E222 PolarHBondContact O-N 2.85Å; V220-A223 WeakPolarHBondContact O-CB 3.48Å; V220-A223 PolarHBondContact O-N 3.45Å; V220-G224 PolarHBondContact O-N 3.38Å; V220-G225 WeakPolarHBondContact O-CA 3.25Å; V220-G225 PolarHBondContact O-N 3.2Å; V220-C227 VanDerWaalsContact CG1-SG 3.58Å; V220-C244 WeakPolarHBondContact CG1-SG 3.21Å; V220-C244 WeakPolarHBondContact CG2-SG 3.33Å
221	R	98.5	Very high	97.9	Very high	88 Å²	88	18.9 Å²	18.9	33%	0.332	10%	0.103	S	C	.	.	H	α-helix	trans	-60.6	-45.3	-179.9	-75.3	174.9	176.5	176.6	1.3	111.3	V217 L218 A223 G224	V217-R221 VanDerWaalsContact O-CG 3.31Å; V217-R221 WeakPolarHBondContact O-CG 3.47Å; V217-R221 PolarHBondContact O-N 2.74Å; V217-R221 VanDerWaalsContact O-N 3.1Å; L218-R221 PolarHBondContact O-N 3.2Å; R221-A223 VanDerWaalsContact C-N 3.28Å; R221-A223 PolarHBondContact O-N 3.32Å; R221-G224 WeakPolarHBondContact O-CA 3.46Å; R221-G224 PolarHBondContact O-N 3.1Å
222	E	98.7	Very high	97.7	Very high	36 Å²	36	20 Å²	20	17%	0.168	12%	0.117	C	C	.	.	H	α-helix	trans	-70	-22.9	178.6	-68.1	-60.7	137.8	0	0	113.2	I127 R128 N129 Q130 G131 A132 L218 V220 G224	I127-E222 VanDerWaalsContact O-CD 3.22Å; I127-E222 WeakPolarHBondContact O-CG 3.36Å; I127-E222 VanDerWaalsContact O-OE2 3.09Å; R128-E222 WeakPolarHBondContact CA-OE1 3.38Å; N129-E222 WeakPolarHBondContact CA-OE2 3.44Å; N129-E222 PolarHBondContact N-OE1 2.79Å; N129-E222 PolarHBondContact N-OE2 3.45Å; Q130-E222 PolarHBondContact N-OE2 3.41Å; G131-E222 VanDerWaalsContact C-CB 3.48Å; G131-E222 PolarHBondContact N-OE2 2.89Å; A132-E222 HydrophobicContact CB-CB 3.95Å; L218-E222 HydrophobicContact CD1-CG 3.77Å; L218-E222 HydrophobicContact CG-CG 4.2Å; L218-E222 WeakPolarHBondContact O-CB 3.39Å; L218-E222 WeakPolarHBondContact O-CG 3.49Å; L218-E222 PolarHBondContact O-N 3.23Å; V220-E222 VanDerWaalsContact C-N 3.34Å; V220-E222 PolarHBondContact O-N 2.85Å; E222-G224 PolarHBondContact O-N 3.22Å
223	A	98.8	Very high	97.6	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-2.9	167.9	0	0	0	0	0	113.3	A132 H140 T141 A196 I219 V220 R221	A132-A223 HydrophobicContact CB-CB 3.89Å; H140-A223 WeakPolarHBondContact CA-O 3.48Å; T141-A223 HydrophobicContact CG2-CB 3.98Å; T141-A223 PolarHBondContact N-O 3.24Å; A196-A223 HydrophobicContact CB-CB 3.92Å; A196-A223 WeakPolarHBondContact O-CB 3.43Å; I219-A223 WeakPolarHBondContact O-CB 3.48Å; I219-A223 PolarHBondContact O-N 2.85Å; V220-A223 WeakPolarHBondContact O-CB 3.48Å; V220-A223 PolarHBondContact O-N 3.45Å; R221-A223 VanDerWaalsContact C-N 3.28Å; R221-A223 PolarHBondContact O-N 3.32Å
224	G	98.5	Very high	97.5	Very high	43 Å²	43	30.6 Å²	30.6	44%	0.443	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	84.2	23.6	-177.8	0	0	0	0	0	114.2	T141 K143 V220 R221 E222	T141-G224 PolarHBondContact OG1-O 3.34Å; K143-G224 PolarHBondContact NZ-O 2.93Å; V220-G224 PolarHBondContact O-N 3.38Å; R221-G224 WeakPolarHBondContact O-CA 3.46Å; R221-G224 PolarHBondContact O-N 3.1Å; E222-G224 PolarHBondContact O-N 3.22Å
225	G	98.5	Very high	97.4	Very high	16 Å²	16	31.8 Å²	31.8	17%	0.165	18%	0.181	C	C	.	.			trans	-89.6	179.7	173.5	0	0	0	0	0	113.7	T141 V220 A245	T141-G225 VanDerWaalsContact CG2-CA 3.47Å; V220-G225 WeakPolarHBondContact O-CA 3.25Å; V220-G225 PolarHBondContact O-N 3.2Å; G225-A245 WeakPolarHBondContact CA-O 3.39Å
226	F	98.3	Very high	97.3	Very high	63 Å²	63	34.6 Å²	34.6	28%	0.276	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	133.7	-178.5	179.8	-104.7	0	0	0	110.4	C228 C244 A245 P248 A251	F226-C228 HydrophobicContact CE1-CB 3.73Å; F226-C228 VanDerWaalsContact CE1-SG 3.58Å; F226-C228 HydrophobicContact CZ-CB 3.92Å; F226-C244 CarbonylContact O-C 3.46Å; F226-C244 WeakPolarHBondContact O-CA 3.01Å; F226-A245 PolarHBondContact N-O 3.46Å; F226-A245 PolarHBondContact O-N 3.44Å; F226-P248 HydrophobicContact CB-CG 4.03Å; F226-P248 HydrophobicContact CD1-CB 4.22Å; F226-P248 HydrophobicContact CD2-CB 4.32Å; F226-P248 HydrophobicContact CD2-CG 4.03Å; F226-P248 HydrophobicContact CG-CB 4.1Å; F226-P248 HydrophobicContact CG-CG 3.96Å; F226-A251 HydrophobicContact CD1-CB 3.72Å; F226-A251 HydrophobicContact CE1-CB 3.94Å
227	C	98.5	Very high	97.2	Very high	5 Å²	5	35.3 Å²	35.3	3%	0.034	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	137.6	173.9	-54.2	0	0	0	0	110.4	V220 V235 I243	V220-C227 VanDerWaalsContact CG1-SG 3.58Å; C227-V235 VanDerWaalsContact C-CG2 3.49Å; C227-V235 HydrophobicContact CB-CG2 3.45Å; C227-V235 VanDerWaalsContact CB-CG2 3.45Å; C227-V235 WeakPolarHBondContact O-CG2 3.41Å; C227-I243 CarbonylContact C-O 3.58Å; C227-I243 WeakPolarHBondContact CA-O 3.37Å
228	C	98	Very high	97	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	170	176.5	60.8	0	0	0	0	111.1	F226 K233 I243	F226-C228 HydrophobicContact CE1-CB 3.73Å; F226-C228 VanDerWaalsContact CE1-SG 3.58Å; F226-C228 HydrophobicContact CZ-CB 3.92Å; C228-K233 CarbonylContact C-O 3.59Å; C228-K233 VanDerWaalsContact CA-O 3.28Å; C228-K233 WeakPolarHBondContact CA-O 3.2Å; C228-K233 WeakPolarHBondContact CB-O 3.21Å; C228-I243 PolarHBondContact N-O 2.8Å; C228-I243 PolarHBondContact O-N 3.01Å
229	N	96.4	Very high	96.9	Very high	12 Å²	12	36.4 Å²	36.4	6%	0.064	21%	0.207	C	C	.	.			trans	-81	173.3	165.3	-74.5	19.1	0	0	0	110.4	D231 G232 K233 V235 D236 A239 N241	N229-D231 PolarHBondContact O-N 3.15Å; N229-D231 VanDerWaalsContact O-N 3.15Å; N229-G232 PolarHBondContact O-N 2.73Å; N229-K233 PolarHBondContact N-O 3.26Å; N229-V235 VanDerWaalsContact OD1-CA 3.32Å; N229-V235 WeakPolarHBondContact OD1-CA 3.41Å; N229-D236 PolarHBondContact OD1-N 3.42Å; N229-A239 VanDerWaalsContact ND2-CB 3.25Å; N229-A239 WeakPolarHBondContact ND2-CB 3.39Å; N229-N241 WeakPolarHBondContact CA-OD1 3.15Å; N229-N241 VanDerWaalsContact CB-OD1 3.23Å; N229-N241 WeakPolarHBondContact CB-OD1 3.38Å
230	F	94.2	Very high	96.8	Very high	15 Å²	15	37.5 Å²	37.5	7%	0.066	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-15.9	-179.5	-62.1	-45.5	0	0	0	115.9	F204 E205 F206 G232 N241 V242 I243 I258 P260	F204-F230 HydrophobicContact CB-CE1 4.09Å; F204-F230 HydrophobicContact CD2-CE1 4.46Å; E205-F230 WeakPolarHBondContact O-CZ 3.4Å; F206-F230 HydrophobicContact CB-CE2 4.31Å; F206-F230 AromaticContact CD1-CD2 3.47Å; F206-F230 HydrophobicContact CD1-CD2 3.47Å; F206-F230 VanDerWaalsContact CD1-CD2 3.47Å; F206-F230 AromaticContact CD1-CE2 2.86Å; F206-F230 HydrophobicContact CD1-CE2 2.86Å; F206-F230 AromaticContact CD1-CZ 3.57Å; F206-F230 HydrophobicContact CD1-CZ 3.57Å; F206-F230 HydrophobicContact CD2-CE2 4.28Å; F206-F230 HydrophobicContact CD2-CZ 4.21Å; F206-F230 HydrophobicContact CE1-CD1 4.2Å; F206-F230 AromaticContact CE1-CD2 3.15Å; F206-F230 HydrophobicContact CE1-CD2 3.15Å; F206-F230 HydrophobicContact CE1-CE1 4.02Å; F206-F230 AromaticContact CE1-CE2 2.85Å; F206-F230 HydrophobicContact CE1-CE2 2.85Å; F206-F230 AromaticContact CE1-CG 3.82Å; F206-F230 HydrophobicContact CE1-CG 3.82Å; F206-F230 AromaticContact CE1-CZ 3.35Å; F206-F230 HydrophobicContact CE1-CZ 3.35Å; F206-F230 HydrophobicContact CE2-CE2 4.33Å; F206-F230 HydrophobicContact CE2-CZ 4.1Å; F206-F230 AromaticContact CG-CE2 3.58Å; F206-F230 HydrophobicContact CG-CE2 3.58Å; F206-F230 AromaticContact CG-CZ 3.93Å; F206-F230 HydrophobicContact CG-CZ 3.93Å; F206-F230 HydrophobicContact CZ-CD1 4.45Å; F206-F230 HydrophobicContact CZ-CD2 4.12Å; F206-F230 HydrophobicContact CZ-CE1 4.08Å; F206-F230 AromaticContact CZ-CE2 3.67Å; F206-F230 HydrophobicContact CZ-CE2 3.67Å; F206-F230 HydrophobicContact CZ-CG 4.48Å; F206-F230 AromaticContact CZ-CZ 3.64Å; F206-F230 HydrophobicContact CZ-CZ 3.64Å; F230-G232 VanDerWaalsContact C-N 3.27Å; F230-N241 HydrophobicContact CD2-CB 3.29Å; F230-N241 WeakPolarHBondContact CD2-OD1 3.33Å; F230-N241 HydrophobicContact CE2-CB 3.01Å; F230-N241 HydrophobicContact CG-CB 4.28Å; F230-N241 HydrophobicContact CZ-CB 3.82Å; F230-N241 PolarHBondContact N-OD1 2.81Å; F230-N241 VanDerWaalsContact N-OD1 3.09Å; F230-V242 WeakPolarHBondContact CE1-O 3.24Å; F230-I243 HydrophobicContact CD1-CD1 3.74Å; F230-I243 HydrophobicContact CD1-CG1 3.46Å; F230-I243 VanDerWaalsContact CD1-CG1 3.46Å; F230-I243 HydrophobicContact CE1-CD1 4.22Å; F230-I243 HydrophobicContact CE1-CG1 3.49Å; F230-I243 VanDerWaalsContact CE1-CG1 3.49Å; F230-I258 HydrophobicContact CB-CD1 4.49Å; F230-I258 HydrophobicContact CD1-CD1 3.34Å; F230-I258 HydrophobicContact CE1-CD1 3.76Å; F230-I258 HydrophobicContact CG-CD1 4.12Å; F230-P260 HydrophobicContact CB-CG 4.35Å
231	D	92.4	Very high	96.7	Very high	90 Å²	90	38.7 Å²	38.7	48%	0.481	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.2	5.9	171.9	68.6	-7.6	0	0	0	113	N229 K233	N229-D231 PolarHBondContact O-N 3.15Å; N229-D231 VanDerWaalsContact O-N 3.15Å; D231-K233 PolarHBondContact O-N 2.82Å; D231-K233 VanDerWaalsContact OD1-CB 3.26Å; D231-K233 WeakPolarHBondContact OD1-CB 3.27Å; D231-K233 WeakPolarHBondContact OD1-CG 3.21Å; D231-K233 PolarHBondContact OD1-N 2.96Å; D231-K233 VanDerWaalsContact OD2-CD 3.23Å; D231-K233 WeakPolarHBondContact OD2-CD 3.42Å; D231-K233 VanDerWaalsContact OD2-CE 3.27Å; D231-K233 WeakPolarHBondContact OD2-CE 3.36Å; D231-K233 IonicContact OD2-NZ 3.58Å; D231-K233 PolarHBondContact OD2-NZ 3.18Å
232	G	94.3	Very high	96.7	Very high	30 Å²	30	34.5 Å²	34.5	31%	0.309	20%	0.202	S	C	.	.	S	Bend	trans	77.4	-0	-178.7	0	0	0	0	0	114.5	N229 F230	N229-G232 PolarHBondContact O-N 2.73Å; F230-G232 VanDerWaalsContact C-N 3.27Å
233	K	95.7	Very high	96.6	Very high	130 Å²	130	32.8 Å²	32.8	57%	0.565	19%	0.194	S	C	*	.	S	Bend	trans	-76.2	161.1	177.6	-64.7	-174.2	-165.7	128.6	0	111.5	C228 N229 D231	C228-K233 CarbonylContact C-O 3.59Å; C228-K233 VanDerWaalsContact CA-O 3.28Å; C228-K233 WeakPolarHBondContact CA-O 3.2Å; C228-K233 WeakPolarHBondContact CB-O 3.21Å; N229-K233 PolarHBondContact N-O 3.26Å; D231-K233 PolarHBondContact O-N 2.82Å; D231-K233 VanDerWaalsContact OD1-CB 3.26Å; D231-K233 WeakPolarHBondContact OD1-CB 3.27Å; D231-K233 WeakPolarHBondContact OD1-CG 3.21Å; D231-K233 PolarHBondContact OD1-N 2.96Å; D231-K233 VanDerWaalsContact OD2-CD 3.23Å; D231-K233 WeakPolarHBondContact OD2-CD 3.42Å; D231-K233 VanDerWaalsContact OD2-CE 3.27Å; D231-K233 WeakPolarHBondContact OD2-CE 3.36Å; D231-K233 IonicContact OD2-NZ 3.58Å; D231-K233 PolarHBondContact OD2-NZ 3.18Å
234	P	95.9	Very high	96.6	Very high	110 Å²	110	32.8 Å²	32.8	71%	0.714	19%	0.194	S	C	*	.	B	Isolated β-bridge	trans	-49.7	147.2	172.6	-27.8	35.9	0	0	0	112.2	D236	P234-D236 PolarHBondContact O-N 3.21Å
235	V	97	Very high	96.6	Very high	25 Å²	25	30.8 Å²	30.8	15%	0.152	17%	0.173	C	C	.	.	P	Polyproline II helix	trans	-53	125	-178.6	178	0	0	0	0	111.1	Y213 V217 C227 N229 L237 V242	Y213-V235 HydrophobicContact CE2-CG1 3.97Å; V217-V235 HydrophobicContact CG2-CG1 4.37Å; C227-V235 VanDerWaalsContact C-CG2 3.49Å; C227-V235 HydrophobicContact CB-CG2 3.45Å; C227-V235 VanDerWaalsContact CB-CG2 3.45Å; C227-V235 WeakPolarHBondContact O-CG2 3.41Å; N229-V235 VanDerWaalsContact OD1-CA 3.32Å; N229-V235 WeakPolarHBondContact OD1-CA 3.41Å; V235-L237 HydrophobicContact CG1-CD2 3.96Å; V235-L237 HydrophobicContact CG1-CG 4.37Å; V235-V242 HydrophobicContact CG2-CG2 4.42Å
236	D	96	Very high	96.6	Very high	59 Å²	59	30 Å²	30	32%	0.316	17%	0.165	S	C	.	.			trans	-109.7	105.7	165.5	171	7.3	0	0	0	107.8	N229 P234 M238 A239 R265	N229-D236 PolarHBondContact OD1-N 3.42Å; P234-D236 PolarHBondContact O-N 3.21Å; D236-M238 PolarHBondContact O-N 3.38Å; D236-M238 PolarHBondContact OD1-N 2.95Å; D236-A239 HydrophobicContact CB-CB 4.08Å; D236-A239 WeakPolarHBondContact O-CB 3.26Å; D236-A239 PolarHBondContact O-N 3.16Å; D236-R265 IonicContact OD1-CZ 2.84Å; D236-R265 IonicContact OD1-NH1 2.74Å; D236-R265 IonicContact OD1-NH2 2.74Å; D236-R265 PolarHBondContact OD1-NH2 2.85Å; D236-R265 IonicContact OD2-CZ 2.65Å; D236-R265 IonicContact OD2-NH1 3.54Å; D236-R265 PolarHBondContact OD2-NH1 2.99Å; D236-R265 IonicContact OD2-NH2 3.62Å; D236-R265 PolarHBondContact OD2-NH2 3.28Å
237	L	96	Very high	96.6	Very high	14 Å²	14	27.5 Å²	27.5	7%	0.073	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-22.3	-171.1	-70.8	172.8	0	0	0	114.2	L74 I81 Y105 C210 Y213 A214 V217 V235	L74-L237 HydrophobicContact CD2-CD1 3.91Å; I81-L237 HydrophobicContact CD1-CD1 4.22Å; Y105-L237 HydrophobicContact CD1-CD1 4.33Å; Y105-L237 HydrophobicContact CE1-CD1 3.43Å; Y105-L237 VanDerWaalsContact CE1-CD1 3.43Å; Y105-L237 HydrophobicContact CE2-CD1 4.43Å; Y105-L237 WeakPolarHBondContact OH-CD1 3.34Å; C210-L237 HydrophobicContact CB-CB 4.16Å; C210-L237 VanDerWaalsContact CB-O 3.29Å; C210-L237 WeakPolarHBondContact CB-O 3.19Å; Y213-L237 HydrophobicContact CD2-CD2 4.06Å; Y213-L237 HydrophobicContact CE2-CD2 3.69Å; Y213-L237 VanDerWaalsContact OH-CA 3.28Å; Y213-L237 WeakPolarHBondContact OH-CA 3.47Å; Y213-L237 PolarHBondContact OH-O 3.15Å; A214-L237 HydrophobicContact CB-CD1 4.38Å; A214-L237 HydrophobicContact CB-CD2 4.21Å; V217-L237 HydrophobicContact CG2-CD2 4.45Å; V235-L237 HydrophobicContact CG1-CD2 3.96Å; V235-L237 HydrophobicContact CG1-CG 4.37Å
238	M	95.8	Very high	96.6	Very high	14 Å²	14	29.8 Å²	29.8	7%	0.069	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.1	1.4	-179.6	-48.5	-50.9	171	0	0	112.1	I63 A72 L74 C210 D236 R240 R265 D266	I63-M238 HydrophobicContact CD1-CE 4.12Å; A72-M238 HydrophobicContact CB-CE 4.46Å; A72-M238 HydrophobicContact CB-SD 4.19Å; L74-M238 HydrophobicContact CB-CE 3.49Å; L74-M238 VanDerWaalsContact CB-CE 3.49Å; C210-M238 HydrophobicContact CB-CE 4.28Å; C210-M238 HydrophobicContact CB-SD 3.75Å; D236-M238 PolarHBondContact O-N 3.38Å; D236-M238 PolarHBondContact OD1-N 2.95Å; M238-R240 PolarHBondContact O-N 2.91Å; M238-R265 WeakPolarHBondContact O-CA 3.37Å; M238-R265 WeakPolarHBondContact O-CB 3.42Å; M238-D266 HydrophobicContact CB-CB 4.04Å; M238-D266 HydrophobicContact CG-CB 4.39Å; M238-D266 PolarHBondContact O-N 3.25Å; M238-D266 VanDerWaalsContact O-N 3.11Å; M238-D266 HydrophobicContact SD-CB 3.68Å
239	A	95.6	Very high	96.6	Very high	14 Å²	14	33.9 Å²	33.9	12%	0.116	19%	0.189	C	C	.	.	S	Bend	trans	-78.6	-4.3	-175	0	0	0	0	0	114.1	N229 D236 N241	N229-A239 VanDerWaalsContact ND2-CB 3.25Å; N229-A239 WeakPolarHBondContact ND2-CB 3.39Å; D236-A239 HydrophobicContact CB-CB 4.08Å; D236-A239 WeakPolarHBondContact O-CB 3.26Å; D236-A239 PolarHBondContact O-N 3.16Å; A239-N241 VanDerWaalsContact C-N 3.25Å; A239-N241 WeakPolarHBondContact CB-ND2 3.36Å; A239-N241 PolarHBondContact O-N 3.19Å; A239-N241 PolarHBondContact O-ND2 3.24Å
240	R	96.4	Very high	96.6	Very high	24 Å²	24	33.3 Å²	33.3	9%	0.091	19%	0.186	C	C	.	.	S	Bend	trans	59.8	31.4	-177.4	-54.4	-73.7	-61.8	-87.5	1.9	115	G207 I208 H209 M238 A264 D266	G207-R240 PolarHBondContact N-O 2.81Å; G207-R240 PolarHBondContact O-NE 3.44Å; G207-R240 PolarHBondContact O-NH2 3.05Å; I208-R240 CarbonylContact O-C 3.57Å; I208-R240 WeakPolarHBondContact O-CA 3.46Å; I208-R240 WeakPolarHBondContact O-CB 3.49Å; I208-R240 WeakPolarHBondContact O-CD 3.47Å; I208-R240 PolarHBondContact O-NE 3.33Å; H209-R240 PolarHBondContact CE1-NH1 3.01Å; H209-R240 PolarHBondContact CE1-NH2 3.42Å; H209-R240 VanDerWaalsContact CE1-NH2 3.26Å; H209-R240 PolarHBondContact ND1-NE 2.87Å; H209-R240 VanDerWaalsContact NE2-CZ 3.31Å; H209-R240 PolarHBondContact NE2-NH2 2.71Å; M238-R240 PolarHBondContact O-N 2.91Å; R240-A264 WeakPolarHBondContact CG-O 3.49Å; R240-A264 PolarHBondContact NH1-O 2.7Å; R240-D266 WeakPolarHBondContact CD-OD1 3.33Å; R240-D266 IonicContact NE-OD1 3.33Å
241	N	97	Very high	96.8	Very high	25 Å²	25	32.6 Å²	32.6	13%	0.134	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156	153.2	178.5	63.1	98	0	0	0	113.8	E205 N229 F230 A239	E205-N241 WeakPolarHBondContact O-CA 3.5Å; N229-N241 WeakPolarHBondContact CA-OD1 3.15Å; N229-N241 VanDerWaalsContact CB-OD1 3.23Å; N229-N241 WeakPolarHBondContact CB-OD1 3.38Å; F230-N241 HydrophobicContact CD2-CB 3.29Å; F230-N241 WeakPolarHBondContact CD2-OD1 3.33Å; F230-N241 HydrophobicContact CE2-CB 3.01Å; F230-N241 HydrophobicContact CG-CB 4.28Å; F230-N241 HydrophobicContact CZ-CB 3.82Å; F230-N241 PolarHBondContact N-OD1 2.81Å; F230-N241 VanDerWaalsContact N-OD1 3.09Å; A239-N241 VanDerWaalsContact C-N 3.25Å; A239-N241 WeakPolarHBondContact CB-ND2 3.36Å; A239-N241 PolarHBondContact O-N 3.19Å; A239-N241 PolarHBondContact O-ND2 3.24Å
242	V	98	Very high	97	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153	145.1	171.7	74.7	0	0	0	0	111.3	M192 F203 F204 E205 I208 Y213 F230 V235	M192-V242 HydrophobicContact CE-CG2 4.49Å; M192-V242 HydrophobicContact SD-CG1 4.18Å; F203-V242 HydrophobicContact CD1-CG1 4.03Å; F203-V242 HydrophobicContact CE1-CG1 3.62Å; F204-V242 VanDerWaalsContact CA-O 3.31Å; F204-V242 WeakPolarHBondContact CA-O 3.42Å; E205-V242 PolarHBondContact N-O 2.84Å; E205-V242 VanDerWaalsContact N-O 3.14Å; E205-V242 PolarHBondContact O-N 3.12Å; I208-V242 HydrophobicContact CD1-CB 4.23Å; I208-V242 HydrophobicContact CD1-CG1 3.49Å; I208-V242 VanDerWaalsContact CD1-CG1 3.49Å; Y213-V242 HydrophobicContact CD2-CB 4.01Å; Y213-V242 HydrophobicContact CD2-CG1 4.34Å; Y213-V242 HydrophobicContact CD2-CG2 4.07Å; Y213-V242 HydrophobicContact CE2-CB 4.06Å; Y213-V242 HydrophobicContact CE2-CG2 4.28Å; F230-V242 WeakPolarHBondContact CE1-O 3.24Å; V235-V242 HydrophobicContact CG2-CG2 4.42Å
243	I	98.4	Very high	97.2	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	133.7	152.3	-61.2	174	0	0	0	106.9	I202 F203 F204 C227 C228 F230 A251 L254 I255 I258	I202-I243 HydrophobicContact CG2-CG2 4.13Å; F203-I243 WeakPolarHBondContact O-CA 3.29Å; F204-I243 HydrophobicContact CB-CG1 4.18Å; C227-I243 CarbonylContact C-O 3.58Å; C227-I243 WeakPolarHBondContact CA-O 3.37Å; C228-I243 PolarHBondContact N-O 2.8Å; C228-I243 PolarHBondContact O-N 3.01Å; F230-I243 HydrophobicContact CD1-CD1 3.74Å; F230-I243 HydrophobicContact CD1-CG1 3.46Å; F230-I243 VanDerWaalsContact CD1-CG1 3.46Å; F230-I243 HydrophobicContact CE1-CD1 4.22Å; F230-I243 HydrophobicContact CE1-CG1 3.49Å; F230-I243 VanDerWaalsContact CE1-CG1 3.49Å; I243-A251 HydrophobicContact CG2-CB 3.92Å; I243-L254 HydrophobicContact CD1-CD2 4.39Å; I243-L254 HydrophobicContact CG1-CD2 4.44Å; I243-L254 HydrophobicContact CG2-CD2 4.23Å; I243-I255 HydrophobicContact CD1-CD1 4.2Å; I243-I255 HydrophobicContact CD1-CG1 3.4Å; I243-I258 HydrophobicContact CD1-CD1 3.94Å; I243-I258 HydrophobicContact CG1-CD1 4.44Å
244	C	98	Very high	97.3	Very high	0 Å²	0	27 Å²	27	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	126.5	174.3	163.9	0	0	0	0	107.8	M192 I202 F203 V220 F226	M192-C244 HydrophobicContact CE-CB 3.9Å; M192-C244 HydrophobicContact CG-CB 4.14Å; M192-C244 HydrophobicContact SD-CB 4.49Å; I202-C244 CarbonylContact C-O 3.58Å; I202-C244 VanDerWaalsContact CA-O 3.29Å; I202-C244 WeakPolarHBondContact CA-O 3.3Å; I202-C244 WeakPolarHBondContact CG2-O 3.36Å; F203-C244 HydrophobicContact CB-CB 4.27Å; F203-C244 HydrophobicContact CD1-CB 4.29Å; F203-C244 PolarHBondContact N-O 2.93Å; F203-C244 PolarHBondContact O-N 2.98Å; V220-C244 WeakPolarHBondContact CG1-SG 3.21Å; V220-C244 WeakPolarHBondContact CG2-SG 3.33Å; F226-C244 CarbonylContact O-C 3.46Å; F226-C244 WeakPolarHBondContact O-CA 3.01Å
245	A	98.6	Very high	97.3	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	156.9	-178.5	0	0	0	0	0	111.5	D201 I202 G225 F226 T247 L250 A251	D201-A245 CarbonylContact O-C 3.48Å; D201-A245 WeakPolarHBondContact O-CA 3.39Å; I202-A245 HydrophobicContact CB-CB 4.49Å; I202-A245 HydrophobicContact CG1-CB 4.1Å; I202-A245 HydrophobicContact CG2-CB 4.23Å; G225-A245 WeakPolarHBondContact CA-O 3.39Å; F226-A245 PolarHBondContact N-O 3.46Å; F226-A245 PolarHBondContact O-N 3.44Å; A245-T247 VanDerWaalsContact CB-O 3.31Å; A245-T247 WeakPolarHBondContact CB-O 3.44Å; A245-T247 PolarHBondContact O-N 3.23Å; A245-L250 HydrophobicContact CB-CB 4.11Å; A245-A251 HydrophobicContact CB-CB 4Å
246	G	98.5	Very high	97.3	Very high	1 Å²	1	27 Å²	27	1%	0.01	16%	0.155	C	C	.	.	S	Bend	trans	-64.6	-27.8	173.5	0	0	0	0	0	113.3	T141 S142 D201	T141-G246 PolarHBondContact OG1-O 2.84Å; T141-G246 VanDerWaalsContact OG1-O 3.06Å; S142-G246 CarbonylContact O-C 3.4Å; S142-G246 WeakPolarHBondContact O-CA 3.36Å; D201-G246 PolarHBondContact O-N 3.08Å
247	T	98.4	Very high	97.3	Very high	9 Å²	9	25.8 Å²	25.8	6%	0.055	15%	0.148	C	C	.	.	S	Bend	trans	-140.3	152.7	179.3	65	0	0	0	0	112	L144 Q145 A245 E249 L250 A251	L144-T247 WeakPolarHBondContact O-CG2 3.2Å; L144-T247 PolarHBondContact O-OG1 3.06Å; Q145-T247 HydrophobicContact CG-CG2 4.31Å; A245-T247 VanDerWaalsContact CB-O 3.31Å; A245-T247 WeakPolarHBondContact CB-O 3.44Å; A245-T247 PolarHBondContact O-N 3.23Å; T247-E249 VanDerWaalsContact C-N 3.28Å; T247-E249 WeakPolarHBondContact CB-OE2 3.32Å; T247-E249 PolarHBondContact O-N 3.43Å; T247-L250 PolarHBondContact O-N 2.9Å; T247-L250 PolarHBondContact OG1-N 3.49Å; T247-A251 PolarHBondContact O-N 3.41Å
248	P	97.7	Very high	97.3	Very high	54 Å²	54	25.8 Å²	25.8	35%	0.351	15%	0.148	S	C	.	.	H	α-helix	trans	-61.8	-33.3	172.7	-21.4	32.8	0	0	0	113.4	F226 L250 A251 N252	F226-P248 HydrophobicContact CB-CG 4.03Å; F226-P248 HydrophobicContact CD1-CB 4.22Å; F226-P248 HydrophobicContact CD2-CB 4.32Å; F226-P248 HydrophobicContact CD2-CG 4.03Å; F226-P248 HydrophobicContact CG-CB 4.1Å; F226-P248 HydrophobicContact CG-CG 3.96Å; P248-L250 VanDerWaalsContact C-N 3.32Å; P248-L250 PolarHBondContact O-N 3.26Å; P248-A251 PolarHBondContact O-N 3.26Å; P248-N252 WeakPolarHBondContact O-CB 3.49Å; P248-N252 VanDerWaalsContact O-CG 3.26Å; P248-N252 PolarHBondContact O-N 3.23Å; P248-N252 PolarHBondContact O-ND2 3.42Å
249	E	98	Very high	97.3	Very high	86 Å²	86	29.8 Å²	29.8	40%	0.402	17%	0.167	S	C	.	.	H	α-helix	trans	-61.3	-41.9	179.1	-65	76.5	-163.5	0	0	111.7	Q145 T247 N252 A253	Q145-E249 HydrophobicContact CB-CB 4.05Å; Q145-E249 HydrophobicContact CG-CB 4.03Å; Q145-E249 HydrophobicContact CG-CG 4.19Å; Q145-E249 PolarHBondContact NE2-OE2 2.74Å; Q145-E249 VanDerWaalsContact NE2-OE2 3.09Å; T247-E249 VanDerWaalsContact C-N 3.28Å; T247-E249 WeakPolarHBondContact CB-OE2 3.32Å; T247-E249 PolarHBondContact O-N 3.43Å; E249-N252 PolarHBondContact O-N 3.48Å; E249-A253 WeakPolarHBondContact O-CB 3.27Å; E249-A253 PolarHBondContact O-N 2.93Å
250	L	97.7	Very high	97.3	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-64	-44.4	176	-85.5	179.3	0	0	0	112.4	L144 L147 A150 D201 I202 A245 T247 P248 N252 A253 L254	L144-L250 HydrophobicContact CB-CD1 4.14Å; L144-L250 HydrophobicContact CG-CD1 4.5Å; L144-L250 WeakPolarHBondContact O-CD1 3.45Å; L144-L250 VanDerWaalsContact O-CG 3.27Å; L144-L250 WeakPolarHBondContact O-CG 3.36Å; L147-L250 HydrophobicContact CB-CD2 4.49Å; A150-L250 HydrophobicContact CB-CD2 4.12Å; D201-L250 HydrophobicContact CB-CD1 3.95Å; I202-L250 HydrophobicContact CD1-CB 3.67Å; I202-L250 HydrophobicContact CD1-CD1 4.4Å; I202-L250 HydrophobicContact CD1-CD2 3.92Å; I202-L250 HydrophobicContact CD1-CG 4.19Å; I202-L250 HydrophobicContact CG1-CB 3.83Å; I202-L250 HydrophobicContact CG1-CD1 4.01Å; I202-L250 HydrophobicContact CG1-CD2 4.43Å; I202-L250 HydrophobicContact CG1-CG 4.31Å; A245-L250 HydrophobicContact CB-CB 4.11Å; T247-L250 PolarHBondContact O-N 2.9Å; T247-L250 PolarHBondContact OG1-N 3.49Å; P248-L250 VanDerWaalsContact C-N 3.32Å; P248-L250 PolarHBondContact O-N 3.26Å; L250-N252 VanDerWaalsContact C-N 3.32Å; L250-N252 PolarHBondContact O-N 3.02Å; L250-A253 PolarHBondContact O-N 3Å; L250-L254 PolarHBondContact O-N 2.83Å
251	A	97.9	Very high	97.2	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-59.6	-45.4	175.7	0	0	0	0	0	111.1	F226 I243 A245 T247 P248 A253 L254 I255	F226-A251 HydrophobicContact CD1-CB 3.72Å; F226-A251 HydrophobicContact CE1-CB 3.94Å; I243-A251 HydrophobicContact CG2-CB 3.92Å; A245-A251 HydrophobicContact CB-CB 4Å; T247-A251 PolarHBondContact O-N 3.41Å; P248-A251 PolarHBondContact O-N 3.26Å; A251-A253 VanDerWaalsContact C-N 3.29Å; A251-A253 PolarHBondContact O-N 2.85Å; A251-L254 PolarHBondContact O-N 2.72Å; A251-L254 VanDerWaalsContact O-N 3.11Å; A251-I255 VanDerWaalsContact O-CG1 3.31Å; A251-I255 WeakPolarHBondContact O-CG1 3.2Å; A251-I255 PolarHBondContact O-N 3.34Å
252	N	97.2	Very high	96.9	Very high	95 Å²	95	34.9 Å²	34.9	51%	0.508	22%	0.216	S	C	.	.	H	α-helix	trans	-64.9	-30.7	177.6	-70.2	-27.8	0	0	0	113.1	P248 E249 L250 P256	P248-N252 WeakPolarHBondContact O-CB 3.49Å; P248-N252 VanDerWaalsContact O-CG 3.26Å; P248-N252 PolarHBondContact O-N 3.23Å; P248-N252 PolarHBondContact O-ND2 3.42Å; E249-N252 PolarHBondContact O-N 3.48Å; L250-N252 VanDerWaalsContact C-N 3.32Å; L250-N252 PolarHBondContact O-N 3.02Å; N252-P256 WeakPolarHBondContact O-CD 3.34Å
253	A	97.2	Very high	96.7	Very high	36 Å²	36	37.5 Å²	37.5	30%	0.298	23%	0.227	S	C	.	.	H	α-helix	trans	-72.9	-30.3	173.4	0	0	0	0	0	112.8	L147 E249 L250 A251	L147-A253 HydrophobicContact CB-CB 4.28Å; E249-A253 WeakPolarHBondContact O-CB 3.27Å; E249-A253 PolarHBondContact O-N 2.93Å; L250-A253 PolarHBondContact O-N 3Å; A251-A253 VanDerWaalsContact C-N 3.29Å; A251-A253 PolarHBondContact O-N 2.85Å
254	L	97.4	Very high	96.5	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-77.6	-45.2	178.7	179.4	67.6	0	0	0	112.7	I175 I202 F204 I243 L250 A251 P256 L257 I258	I175-L254 HydrophobicContact CD1-CD1 3.64Å; I175-L254 HydrophobicContact CG1-CD1 3.68Å; I202-L254 HydrophobicContact CD1-CB 4.31Å; I202-L254 HydrophobicContact CG2-CD2 3.6Å; F204-L254 HydrophobicContact CB-CD2 3.85Å; F204-L254 HydrophobicContact CD1-CD2 3.89Å; F204-L254 HydrophobicContact CG-CD2 3.96Å; I243-L254 HydrophobicContact CD1-CD2 4.39Å; I243-L254 HydrophobicContact CG1-CD2 4.44Å; I243-L254 HydrophobicContact CG2-CD2 4.23Å; L250-L254 PolarHBondContact O-N 2.83Å; A251-L254 PolarHBondContact O-N 2.72Å; A251-L254 VanDerWaalsContact O-N 3.11Å; L254-P256 VanDerWaalsContact C-CD 3.44Å; L254-L257 WeakPolarHBondContact O-CB 3.27Å; L254-L257 PolarHBondContact O-N 2.64Å; L254-I258 HydrophobicContact CD1-CG2 3.95Å; L254-I258 HydrophobicContact CG-CG2 4.17Å
255	I	97.2	Very high	96.3	Very high	37 Å²	37	47.4 Å²	47.4	19%	0.19	28%	0.281	C	S	.	.	G	3₁₀ helix	trans	-44.9	-48.8	-175	-73.3	164.5	0	0	0	113.8	I243 A251 L257 I258	I243-I255 HydrophobicContact CD1-CD1 4.2Å; I243-I255 HydrophobicContact CD1-CG1 3.4Å; A251-I255 VanDerWaalsContact O-CG1 3.31Å; A251-I255 WeakPolarHBondContact O-CG1 3.2Å; A251-I255 PolarHBondContact O-N 3.34Å; I255-L257 PolarHBondContact O-N 3.01Å; I255-I258 VanDerWaalsContact O-CG1 3.31Å; I255-I258 WeakPolarHBondContact O-CG1 3.39Å; I255-I258 PolarHBondContact O-N 2.85Å
256	P	96.4	Very high	96.1	Very high	100 Å²	100	48.1 Å²	48.1	65%	0.649	29%	0.285	S	S	*	.	G	3₁₀ helix	trans	-71.2	-11.6	-177.9	28.2	-36.4	0	0	0	114.5	N252 L254	N252-P256 WeakPolarHBondContact O-CD 3.34Å; L254-P256 VanDerWaalsContact C-CD 3.44Å
257	L	95.9	Very high	96	Very high	33 Å²	33	50.5 Å²	50.5	17%	0.173	30%	0.299	C	S	.	.	G	3₁₀ helix	trans	-91.3	-14.4	179.7	-57.1	-178.3	0	0	0	113.3	L147 Q174 K178 L254 I255	L147-L257 HydrophobicContact CD2-CD1 3.41Å; L147-L257 VanDerWaalsContact CD2-CD1 3.41Å; Q174-L257 VanDerWaalsContact CD-O 3.26Å; Q174-L257 PolarHBondContact NE2-O 3.46Å; Q174-L257 PolarHBondContact OE1-O 3.03Å; K178-L257 HydrophobicContact CB-CD1 4.21Å; K178-L257 HydrophobicContact CG-CD1 4.18Å; L254-L257 WeakPolarHBondContact O-CB 3.27Å; L254-L257 PolarHBondContact O-N 2.64Å; I255-L257 PolarHBondContact O-N 3.01Å
258	I	96.1	Very high	95.8	Very high	14 Å²	14	52.7 Å²	52.7	7%	0.072	31%	0.311	C	S	.	.			trans	-106.8	131.2	-173.9	60.5	172	0	0	0	110.9	N171 I175 F204 F206 F230 I243 L254 I255	N171-I258 HydrophobicContact CB-CG2 4.41Å; I175-I258 HydrophobicContact CD1-CG2 3.89Å; I175-I258 HydrophobicContact CG1-CG2 4.44Å; F204-I258 HydrophobicContact CD2-CG2 4.45Å; F204-I258 HydrophobicContact CE2-CG2 4.27Å; F206-I258 HydrophobicContact CZ-CB 4.45Å; F206-I258 HydrophobicContact CZ-CD1 4.31Å; F230-I258 HydrophobicContact CB-CD1 4.49Å; F230-I258 HydrophobicContact CD1-CD1 3.34Å; F230-I258 HydrophobicContact CE1-CD1 3.76Å; F230-I258 HydrophobicContact CG-CD1 4.12Å; I243-I258 HydrophobicContact CD1-CD1 3.94Å; I243-I258 HydrophobicContact CG1-CD1 4.44Å; L254-I258 HydrophobicContact CD1-CG2 3.95Å; L254-I258 HydrophobicContact CG-CG2 4.17Å; I255-I258 VanDerWaalsContact O-CG1 3.31Å; I255-I258 WeakPolarHBondContact O-CG1 3.39Å; I255-I258 PolarHBondContact O-N 2.85Å
259	Q	96.6	Very high	95.7	Very high	98 Å²	98	52.6 Å²	52.6	46%	0.458	31%	0.309	S	S	.	.	P	Polyproline II helix	trans	-88.9	122.6	166.5	177.8	-179.4	-8.1	0	0	109	I167 N171	I167-Q259 HydrophobicContact CG2-CB 4.07Å; I167-Q259 HydrophobicContact CG2-CG 4Å; I167-Q259 WeakPolarHBondContact CG2-O 3.09Å; N171-Q259 PolarHBondContact ND2-O 3.19Å; N171-Q259 PolarHBondContact OD1-N 3.2Å
260	P	94.5	Very high	95.6	Very high	79 Å²	79	50.6 Å²	50.6	51%	0.513	30%	0.304	S	S	.	.	P	Polyproline II helix	trans	-66.6	144.6	-179.4	-23.4	34.2	0	0	0	114.6	F206 F230	F206-P260 VanDerWaalsContact CE1-CA 3.45Å; F206-P260 HydrophobicContact CE1-CB 4.13Å; F230-P260 HydrophobicContact CB-CG 4.35Å
261	V	94.5	Very high	95.5	Very high	15 Å²	15	53.8 Å²	53.8	9%	0.091	32%	0.323	C	S	.	.	P	Polyproline II helix	trans	-101.3	124.9	164.1	-175.4	0	0	0	0	108.2	V164 I167 K168 F206 Y263	V164-V261 HydrophobicContact CB-CG1 4.47Å; V164-V261 HydrophobicContact CG1-CG1 4Å; V164-V261 HydrophobicContact CG2-CG1 3.93Å; I167-V261 HydrophobicContact CB-CG2 4.05Å; I167-V261 HydrophobicContact CG2-CG2 3.59Å; K168-V261 HydrophobicContact CG-CG2 4.34Å; F206-V261 HydrophobicContact CB-CB 3.96Å; F206-V261 HydrophobicContact CB-CG2 4.44Å; F206-V261 HydrophobicContact CD1-CB 3.94Å; F206-V261 HydrophobicContact CD1-CG2 4.3Å; F206-V261 VanDerWaalsContact CD1-N 3.26Å; F206-V261 HydrophobicContact CD2-CG2 4.38Å; F206-V261 HydrophobicContact CG-CB 3.97Å; F206-V261 HydrophobicContact CG-CG2 4.14Å; V261-Y263 HydrophobicContact CB-CD2 4.48Å; V261-Y263 HydrophobicContact CB-CE2 3.89Å; V261-Y263 HydrophobicContact CG1-CD2 4.07Å; V261-Y263 HydrophobicContact CG1-CE2 3.39Å
262	G	91.6	Very high	95.3	Very high	75 Å²	75	57.4 Å²	57.4	77%	0.773	34%	0.344	S	S	*	.	P	Polyproline II helix	trans	-83.8	129.3	178	0	0	0	0	0	111.7
263	Y	94	Very high	95.2	Very high	55 Å²	55	54.7 Å²	54.7	22%	0.216	33%	0.333	C	S	.	.			trans	-122.2	154.2	171.3	-72.4	-84.2	0	0	0	110	D159 V164 F206 G207 V261	D159-Y263 HydrophobicContact CB-CE1 4.48Å; D159-Y263 WeakPolarHBondContact OD2-CE1 3.35Å; D159-Y263 PolarHBondContact OD2-OH 3.44Å; V164-Y263 WeakPolarHBondContact CG1-OH 3.47Å; F206-Y263 HydrophobicContact CB-CD2 4.28Å; F206-Y263 HydrophobicContact CB-CE2 3.76Å; G207-Y263 VanDerWaalsContact CA-CD2 3.4Å; G207-Y263 VanDerWaalsContact CA-CE2 3.45Å; V261-Y263 HydrophobicContact CB-CD2 4.48Å; V261-Y263 HydrophobicContact CB-CE2 3.89Å; V261-Y263 HydrophobicContact CG1-CD2 4.07Å; V261-Y263 HydrophobicContact CG1-CE2 3.39Å
264	A	93.1	Very high	95	Very high	79 Å²	79	56.2 Å²	56.2	65%	0.653	34%	0.335	S	S	*	.			trans	-65.1	134.2	169	0	0	0	0	0	108.9	R240	R240-A264 WeakPolarHBondContact CG-O 3.49Å; R240-A264 PolarHBondContact NH1-O 2.7Å
265	R	94.1	Very high	94.8	Very high	130 Å²	130	60.8 Å²	60.8	49%	0.491	36%	0.363	S	S	.	.			trans	-57.9	154.6	178.6	-63.4	177.5	62.7	84.6	-2.5	111.2	D236 M238	D236-R265 IonicContact OD1-CZ 2.84Å; D236-R265 IonicContact OD1-NH1 2.74Å; D236-R265 IonicContact OD1-NH2 2.74Å; D236-R265 PolarHBondContact OD1-NH2 2.85Å; D236-R265 IonicContact OD2-CZ 2.65Å; D236-R265 IonicContact OD2-NH1 3.54Å; D236-R265 PolarHBondContact OD2-NH1 2.99Å; D236-R265 IonicContact OD2-NH2 3.62Å; D236-R265 PolarHBondContact OD2-NH2 3.28Å; M238-R265 WeakPolarHBondContact O-CA 3.37Å; M238-R265 WeakPolarHBondContact O-CB 3.42Å
266	D	93.6	Very high	94.6	Very high	15 Å²	15	63 Å²	63	8%	0.08	38%	0.379	C	S	.	.			trans	-61.6	0	164.8	-64.3	-37.8	0	0	0	111.6	Y68 N71 A72 H209 C210 M238 R240	Y68-D266 PolarHBondContact OH-OXT 2.99Å; N71-D266 WeakPolarHBondContact CA-OXT 3.5Å; A72-D266 HydrophobicContact CB-CB 3.99Å; A72-D266 PolarHBondContact N-OXT 3.21Å; H209-D266 IonicContact CE1-OD1 2.72Å; H209-D266 IonicContact CG-OD1 2.66Å; H209-D266 IonicContact ND1-OD1 3.84Å; H209-D266 PolarHBondContact ND1-OD1 3.38Å; C210-D266 PolarHBondContact N-OD2 3.09Å; M238-D266 HydrophobicContact CB-CB 4.04Å; M238-D266 HydrophobicContact CG-CB 4.39Å; M238-D266 PolarHBondContact O-N 3.25Å; M238-D266 VanDerWaalsContact O-N 3.11Å; M238-D266 HydrophobicContact SD-CB 3.68Å; R240-D266 WeakPolarHBondContact CD-OD1 3.33Å; R240-D266 IonicContact NE-OD1 3.33Å

Retrieved 266 of 266 residues in 131 ms (Link to these results)

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