A0A5K4FEF3_SCHMA Loading...

Inositol-1-monophosphatase AlphaSync

AlphaFold DB , UniProt , Accession A0A5K4FEF3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 232 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	79.5	Confident	95.3	Very high	194 Å²	194	53.7 Å²	53.7	96%	0.956	28%	0.28	S	S	*	.				0	153	0	-79.3	-169.8	-76.5	0	0	107.8
2	A	90.4	Very high	95.6	Very high	12 Å²	12	52.7 Å²	52.7	10%	0.099	28%	0.278	C	S	.	.			trans	-64.9	152.5	172.1	0	0	0	0	0	110.5	F57 W80 Y104 L112	A2-F57 HydrophobicContact CB-CE2 4.03Å; A2-F57 HydrophobicContact CB-CZ 3.83Å; A2-W80 HydrophobicContact CB-CH2 3.47Å; A2-W80 VanDerWaalsContact CB-CH2 3.47Å; A2-W80 HydrophobicContact CB-CZ2 3.64Å; A2-Y104 HydrophobicContact CB-CD1 4.17Å; A2-Y104 HydrophobicContact CB-CE1 4.12Å; A2-Y104 HydrophobicContact CB-CG 4.44Å; A2-L112 HydrophobicContact CB-CD1 4.19Å; A2-L112 WeakPolarHBondContact O-CD1 3.45Å
3	D	95.1	Very high	95.8	Very high	88 Å²	88	56.5 Å²	56.5	47%	0.471	29%	0.29	S	S	.	.			trans	-120.5	165.2	171.8	65.3	45.7	0	0	0	110.2	L5 F6 V7	D3-L5 PolarHBondContact O-N 3.12Å; D3-L5 WeakPolarHBondContact OD1-CA 3.23Å; D3-L5 WeakPolarHBondContact OD1-CB 3.5Å; D3-L5 PolarHBondContact OD1-N 3.09Å; D3-F6 PolarHBondContact O-N 2.93Å; D3-F6 PolarHBondContact OD1-N 2.82Å; D3-V7 WeakPolarHBondContact O-CG2 3.45Å; D3-V7 PolarHBondContact O-N 3.24Å
4	I	97.1	Very high	95.9	Very high	37 Å²	37	52.4 Å²	52.4	19%	0.19	27%	0.27	C	S	.	.	H	α-helix	trans	-64.8	-29.3	-176.7	-164.2	57.1	0	0	0	112.7	V7 S8 L112 V114 H125 I127	I4-V7 PolarHBondContact O-N 3.47Å; I4-S8 WeakPolarHBondContact O-CB 3.34Å; I4-S8 PolarHBondContact O-N 3.47Å; I4-S8 PolarHBondContact O-OG 3.28Å; I4-S8 VanDerWaalsContact O-OG 3.09Å; I4-L112 HydrophobicContact CB-CD2 4.29Å; I4-L112 HydrophobicContact CD1-CB 4.38Å; I4-L112 HydrophobicContact CD1-CD2 4.33Å; I4-V114 HydrophobicContact CD1-CG2 3.95Å; I4-H125 HydrophobicContact CD1-CB 4.11Å; I4-H125 HydrophobicContact CG1-CB 4.48Å; I4-I127 HydrophobicContact CB-CD1 3.92Å; I4-I127 HydrophobicContact CB-CG1 4.09Å; I4-I127 HydrophobicContact CD1-CG1 4.07Å; I4-I127 HydrophobicContact CG1-CD1 3.96Å; I4-I127 HydrophobicContact CG1-CG1 3.89Å; I4-I127 HydrophobicContact CG2-CD1 3.87Å
5	L	97.2	Very high	96.1	Very high	110 Å²	110	48.9 Å²	48.9	58%	0.576	25%	0.252	S	S	*	.	H	α-helix	trans	-68.6	-39.4	-178.9	-177.8	63.2	0	0	0	110.7	D3 N9	D3-L5 PolarHBondContact O-N 3.12Å; D3-L5 WeakPolarHBondContact OD1-CA 3.23Å; D3-L5 WeakPolarHBondContact OD1-CB 3.5Å; D3-L5 PolarHBondContact OD1-N 3.09Å; L5-N9 VanDerWaalsContact O-CB 3.27Å; L5-N9 WeakPolarHBondContact O-CB 3.35Å; L5-N9 PolarHBondContact O-N 2.71Å; L5-N9 PolarHBondContact O-ND2 3.38Å
6	F	98.2	Very high	96.1	Very high	44 Å²	44	54.3 Å²	54.3	19%	0.193	27%	0.272	C	S	.	.	H	α-helix	trans	-58.3	-51.9	172.1	175.5	-93.4	0	0	0	111.1	D3 S8 N9 L10 I53 S56 F57 W80	D3-F6 PolarHBondContact O-N 2.93Å; D3-F6 PolarHBondContact OD1-N 2.82Å; F6-S8 PolarHBondContact O-N 3.16Å; F6-N9 PolarHBondContact O-N 3.25Å; F6-L10 HydrophobicContact CE1-CD2 4.02Å; F6-L10 HydrophobicContact CZ-CD2 4.35Å; F6-L10 WeakPolarHBondContact O-CB 3.31Å; F6-L10 PolarHBondContact O-N 3.2Å; F6-I53 HydrophobicContact CE1-CG1 4.26Å; F6-I53 HydrophobicContact CZ-CG1 4.47Å; F6-S56 WeakPolarHBondContact CE2-OG 3.36Å; F6-F57 AromaticContact CD1-CE2 3.95Å; F6-F57 HydrophobicContact CD1-CE2 3.95Å; F6-F57 HydrophobicContact CE1-CD2 4.33Å; F6-F57 AromaticContact CE1-CE2 3.69Å; F6-F57 HydrophobicContact CE1-CE2 3.69Å; F6-F57 HydrophobicContact CE2-CE2 4.27Å; F6-F57 HydrophobicContact CG-CE2 4.36Å; F6-F57 HydrophobicContact CZ-CD2 4.38Å; F6-F57 AromaticContact CZ-CE2 3.86Å; F6-F57 HydrophobicContact CZ-CE2 3.86Å; F6-W80 HydrophobicContact CD1-CH2 4.03Å; F6-W80 AromaticContact CE1-CH2 3.98Å; F6-W80 HydrophobicContact CE1-CH2 3.98Å; F6-W80 HydrophobicContact CE1-CZ2 4.29Å
7	V	97.8	Very high	96.1	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-65.4	-42.6	-176.8	-167.2	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 3.24Å; I4-V7 PolarHBondContact O-N 3.47Å; V7-L10 WeakPolarHBondContact O-CB 3.22Å; V7-L10 PolarHBondContact O-N 2.95Å; V7-A11 WeakPolarHBondContact O-CB 3.29Å; V7-A11 PolarHBondContact O-N 3.41Å; V7-W80 HydrophobicContact CG1-CZ3 4.41Å; V7-W80 HydrophobicContact CG2-CH2 3.84Å; V7-W80 HydrophobicContact CG2-CZ3 3.66Å; V7-I102 HydrophobicContact CG1-CB 3.99Å; V7-I102 HydrophobicContact CG1-CG2 3.7Å; V7-L112 HydrophobicContact CG2-CB 4.49Å; V7-L112 HydrophobicContact CG2-CD1 4.33Å; V7-V114 HydrophobicContact CB-CG2 3.91Å; V7-V114 HydrophobicContact CG1-CB 3.94Å; V7-V114 HydrophobicContact CG1-CG2 3.58Å
8	S	98.1	Very high	96.1	Very high	19 Å²	19	51.9 Å²	51.9	13%	0.133	26%	0.26	C	S	.	.	H	α-helix	trans	-63.8	-43.7	177	-67.4	0	0	0	0	112.1	I4 F6 L10 A11 V12	I4-S8 WeakPolarHBondContact O-CB 3.34Å; I4-S8 PolarHBondContact O-N 3.47Å; I4-S8 PolarHBondContact O-OG 3.28Å; I4-S8 VanDerWaalsContact O-OG 3.09Å; F6-S8 PolarHBondContact O-N 3.16Å; S8-L10 VanDerWaalsContact C-N 3.31Å; S8-L10 PolarHBondContact O-N 3.03Å; S8-A11 PolarHBondContact O-N 3.17Å; S8-V12 WeakPolarHBondContact O-CB 3.3Å; S8-V12 VanDerWaalsContact O-CG2 3.26Å; S8-V12 WeakPolarHBondContact O-CG2 3.32Å; S8-V12 PolarHBondContact O-N 3.37Å
9	N	98.1	Very high	96.1	Very high	83 Å²	83	53.1 Å²	53.1	44%	0.444	27%	0.265	S	S	.	.	H	α-helix	trans	-63.2	-39.2	176	-77.3	-34.6	0	0	0	112	L5 F6 V12 K13	L5-N9 VanDerWaalsContact O-CB 3.27Å; L5-N9 WeakPolarHBondContact O-CB 3.35Å; L5-N9 PolarHBondContact O-N 2.71Å; L5-N9 PolarHBondContact O-ND2 3.38Å; F6-N9 PolarHBondContact O-N 3.25Å; N9-V12 PolarHBondContact O-N 3.36Å; N9-K13 WeakPolarHBondContact O-CG 3.39Å; N9-K13 PolarHBondContact O-N 2.9Å
10	L	98.2	Very high	95.9	Very high	4 Å²	4	53.3 Å²	53.3	2%	0.021	28%	0.275	C	S	.	.	H	α-helix	trans	-62.4	-50	176.2	-173.6	59.3	0	0	0	111.2	F6 V7 S8 V12 K13 A14 Y48 I49 E52 I53 I102	F6-L10 HydrophobicContact CE1-CD2 4.02Å; F6-L10 HydrophobicContact CZ-CD2 4.35Å; F6-L10 WeakPolarHBondContact O-CB 3.31Å; F6-L10 PolarHBondContact O-N 3.2Å; V7-L10 WeakPolarHBondContact O-CB 3.22Å; V7-L10 PolarHBondContact O-N 2.95Å; S8-L10 VanDerWaalsContact C-N 3.31Å; S8-L10 PolarHBondContact O-N 3.03Å; L10-V12 PolarHBondContact O-N 2.95Å; L10-K13 PolarHBondContact O-N 3.42Å; L10-A14 WeakPolarHBondContact O-CB 3.19Å; L10-A14 PolarHBondContact O-N 3.48Å; L10-Y48 HydrophobicContact CD1-CE1 3.82Å; L10-I49 HydrophobicContact CD2-CG2 3.92Å; L10-I49 HydrophobicContact CG-CG1 4.46Å; L10-I49 HydrophobicContact CG-CG2 4.36Å; L10-E52 HydrophobicContact CD1-CB 3.6Å; L10-E52 HydrophobicContact CD1-CG 3.88Å; L10-I53 HydrophobicContact CD2-CD1 3.94Å; L10-I53 HydrophobicContact CD2-CG1 3.68Å; L10-I102 HydrophobicContact CD2-CD1 4.23Å; L10-I102 HydrophobicContact CG-CD1 4.12Å
11	A	98.5	Very high	95.6	Very high	0 Å²	0	51 Å²	51	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-59.9	-42.3	176.6	0	0	0	0	0	112.2	V7 S8 K13 A14 G15 V100 I102 V114 Y116	V7-A11 WeakPolarHBondContact O-CB 3.29Å; V7-A11 PolarHBondContact O-N 3.41Å; S8-A11 PolarHBondContact O-N 3.17Å; A11-K13 PolarHBondContact O-N 3.41Å; A11-A14 PolarHBondContact O-N 3.26Å; A11-G15 PolarHBondContact O-N 3.24Å; A11-V100 HydrophobicContact CB-CG1 4.03Å; A11-I102 HydrophobicContact CB-CD1 4.11Å; A11-V114 HydrophobicContact CB-CB 4.3Å; A11-V114 HydrophobicContact CB-CG1 3.51Å; A11-Y116 WeakPolarHBondContact O-CD1 3.43Å
12	V	98.5	Very high	96.1	Very high	41 Å²	41	43 Å²	43	25%	0.248	23%	0.225	C	C	.	.	H	α-helix	trans	-64.9	-40.7	178.4	168.3	0	0	0	0	111.7	S8 N9 L10 G15 K16 Y116 L123	S8-V12 WeakPolarHBondContact O-CB 3.3Å; S8-V12 VanDerWaalsContact O-CG2 3.26Å; S8-V12 WeakPolarHBondContact O-CG2 3.32Å; S8-V12 PolarHBondContact O-N 3.37Å; N9-V12 PolarHBondContact O-N 3.36Å; L10-V12 PolarHBondContact O-N 2.95Å; V12-G15 PolarHBondContact O-N 3.41Å; V12-K16 WeakPolarHBondContact O-CG 3.36Å; V12-K16 PolarHBondContact O-N 2.98Å; V12-K16 VanDerWaalsContact O-N 3.12Å; V12-Y116 HydrophobicContact CG2-CE1 4.31Å; V12-L123 HydrophobicContact CG2-CD1 3.76Å
13	K	98.4	Very high	95.7	Very high	102 Å²	102	46.9 Å²	46.9	44%	0.443	25%	0.251	S	S	.	.	H	α-helix	trans	-67.7	-44.6	176.4	-72.4	176.3	-176.9	177.6	0	111.6	N9 L10 A11 G15 K16 M17 Y48 E52	N9-K13 WeakPolarHBondContact O-CG 3.39Å; N9-K13 PolarHBondContact O-N 2.9Å; L10-K13 PolarHBondContact O-N 3.42Å; A11-K13 PolarHBondContact O-N 3.41Å; K13-G15 VanDerWaalsContact C-N 3.31Å; K13-G15 PolarHBondContact O-N 2.92Å; K13-K16 WeakPolarHBondContact O-CB 3.48Å; K13-K16 PolarHBondContact O-N 2.82Å; K13-M17 PolarHBondContact O-N 2.89Å; K13-Y48 HydrophobicContact CB-CE1 3.82Å; K13-Y48 WeakPolarHBondContact CB-OH 3.45Å; K13-Y48 WeakPolarHBondContact CD-OH 3.36Å; K13-E52 IonicContact NZ-OE2 3.55Å; K13-E52 PolarHBondContact NZ-OE2 3.21Å
14	A	98.1	Very high	95	Very high	0 Å²	0	49 Å²	49	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-57.2	-45	171.7	0	0	0	0	0	111.4	L10 A11 K16 M17 I18 V45 Y48 I49 V100	L10-A14 WeakPolarHBondContact O-CB 3.19Å; L10-A14 PolarHBondContact O-N 3.48Å; A11-A14 PolarHBondContact O-N 3.26Å; A14-K16 VanDerWaalsContact C-N 3.26Å; A14-K16 PolarHBondContact O-N 3.41Å; A14-M17 WeakPolarHBondContact O-CA 3.11Å; A14-M17 VanDerWaalsContact O-CB 3.29Å; A14-M17 WeakPolarHBondContact O-CB 3.18Å; A14-M17 PolarHBondContact O-N 2.84Å; A14-I18 PolarHBondContact O-N 2.98Å; A14-I18 VanDerWaalsContact O-N 3.08Å; A14-V45 HydrophobicContact CB-CG1 3.91Å; A14-Y48 HydrophobicContact CB-CD1 4.35Å; A14-Y48 HydrophobicContact CB-CE1 4.43Å; A14-I49 HydrophobicContact CB-CD1 3.93Å; A14-I49 HydrophobicContact CB-CG1 4.01Å; A14-V100 HydrophobicContact CB-CG1 4.43Å; A14-V100 HydrophobicContact CB-CG2 4.22Å
15	G	97.8	Very high	93.7	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-60.7	-30.4	177.7	0	0	0	0	0	114.2	A11 V12 K13 M17 I18 E19 P118	A11-G15 PolarHBondContact O-N 3.24Å; V12-G15 PolarHBondContact O-N 3.41Å; K13-G15 VanDerWaalsContact C-N 3.31Å; K13-G15 PolarHBondContact O-N 2.92Å; G15-M17 VanDerWaalsContact C-N 3.33Å; G15-I18 PolarHBondContact O-N 3.48Å; G15-E19 WeakPolarHBondContact O-CB 3.46Å; G15-E19 PolarHBondContact O-N 3.19Å; G15-P118 WeakPolarHBondContact O-CB 3.44Å
16	K	97.4	Very high	92.3	Very high	134 Å²	134	49.3 Å²	49.3	58%	0.583	27%	0.267	S	S	*	.	H	α-helix	trans	-66.2	-35.4	171.6	-70.9	174.5	-178.7	178.9	0	112.2	V12 K13 A14 A20	V12-K16 WeakPolarHBondContact O-CG 3.36Å; V12-K16 PolarHBondContact O-N 2.98Å; V12-K16 VanDerWaalsContact O-N 3.12Å; K13-K16 WeakPolarHBondContact O-CB 3.48Å; K13-K16 PolarHBondContact O-N 2.82Å; A14-K16 VanDerWaalsContact C-N 3.26Å; A14-K16 PolarHBondContact O-N 3.41Å; K16-A20 WeakPolarHBondContact O-CB 3.46Å; K16-A20 PolarHBondContact O-N 3.45Å; K16-A20 VanDerWaalsContact O-N 3.07Å
17	M	96.1	Very high	91.2	Very high	66 Å²	66	52.3 Å²	52.3	33%	0.325	29%	0.291	S	S	.	.	H	α-helix	trans	-67.2	-44.2	175.1	-60.6	171.8	59.4	0	0	110.6	K13 A14 G15 A20 G21 A44 V45 Y48	K13-M17 PolarHBondContact O-N 2.89Å; A14-M17 WeakPolarHBondContact O-CA 3.11Å; A14-M17 VanDerWaalsContact O-CB 3.29Å; A14-M17 WeakPolarHBondContact O-CB 3.18Å; A14-M17 PolarHBondContact O-N 2.84Å; G15-M17 VanDerWaalsContact C-N 3.33Å; M17-A20 PolarHBondContact O-N 3.21Å; M17-G21 PolarHBondContact O-N 2.72Å; M17-G21 VanDerWaalsContact O-N 3.09Å; M17-A44 HydrophobicContact CE-CB 3.95Å; M17-A44 WeakPolarHBondContact CE-O 3.34Å; M17-V45 HydrophobicContact CB-CG2 3.9Å; M17-V45 HydrophobicContact CE-CG2 4.15Å; M17-V45 HydrophobicContact SD-CG2 4.48Å; M17-Y48 HydrophobicContact SD-CD1 3.87Å; M17-Y48 HydrophobicContact SD-CG 3.83Å
18	I	95.9	Very high	90.4	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-60	-51.3	174.9	-60.7	172.2	0	0	0	110.3	A14 G15 A20 G21 F22 V45 P84 I85 F91 V98 V100 P118	A14-I18 PolarHBondContact O-N 2.98Å; A14-I18 VanDerWaalsContact O-N 3.08Å; G15-I18 PolarHBondContact O-N 3.48Å; I18-A20 VanDerWaalsContact C-N 3.31Å; I18-A20 PolarHBondContact O-N 3.39Å; I18-G21 CarbonylContact O-C 3.58Å; I18-G21 WeakPolarHBondContact O-CA 3.13Å; I18-G21 PolarHBondContact O-N 3.36Å; I18-F22 WeakPolarHBondContact O-CB 3.43Å; I18-F22 PolarHBondContact O-N 3.01Å; I18-V45 HydrophobicContact CG1-CG2 3.87Å; I18-P84 WeakPolarHBondContact CD1-O 3.26Å; I18-I85 HydrophobicContact CD1-CG1 3.96Å; I18-I85 HydrophobicContact CG1-CD1 4.04Å; I18-I85 HydrophobicContact CG1-CG1 3.99Å; I18-F91 HydrophobicContact CG2-CD2 4Å; I18-F91 HydrophobicContact CG2-CE2 3.87Å; I18-F91 WeakPolarHBondContact O-CE2 3.44Å; I18-V98 HydrophobicContact CG2-CG1 3.96Å; I18-V100 HydrophobicContact CD1-CB 4Å; I18-P118 HydrophobicContact CB-CG 3.91Å; I18-P118 HydrophobicContact CD1-CG 4.5Å; I18-P118 HydrophobicContact CG2-CG 3.75Å
19	E	95.2	Very high	89.4	Confident	75 Å²	75	60.9 Å²	60.9	35%	0.35	33%	0.328	S	S	.	.	H	α-helix	trans	-57.6	-41.4	179.4	-178.7	173.1	-149.4	0	0	112.6	G15 G21 F22 P118 I119 K121	G15-E19 WeakPolarHBondContact O-CB 3.46Å; G15-E19 PolarHBondContact O-N 3.19Å; E19-G21 VanDerWaalsContact C-N 3.27Å; E19-G21 PolarHBondContact O-N 3.06Å; E19-F22 PolarHBondContact O-N 3.27Å; E19-P118 HydrophobicContact CB-CB 4.41Å; E19-I119 HydrophobicContact CB-CD1 4.46Å; E19-K121 IonicContact OE1-NZ 3.42Å; E19-K121 PolarHBondContact OE1-NZ 2.99Å; E19-K121 IonicContact OE2-NZ 2.76Å; E19-K121 PolarHBondContact OE2-NZ 2.98Å
20	A	92.7	Very high	88.3	Confident	56 Å²	56	63.5 Å²	63.5	46%	0.463	34%	0.335	S	S	.	.	H	α-helix	trans	-66.1	-29.6	176.5	0	0	0	0	0	113	K16 M17 I18 K24	K16-A20 WeakPolarHBondContact O-CB 3.46Å; K16-A20 PolarHBondContact O-N 3.45Å; K16-A20 VanDerWaalsContact O-N 3.07Å; M17-A20 PolarHBondContact O-N 3.21Å; I18-A20 VanDerWaalsContact C-N 3.31Å; I18-A20 PolarHBondContact O-N 3.39Å; A20-K24 WeakPolarHBondContact O-CE 3.47Å
21	G	90.1	Very high	87.4	Confident	7 Å²	7	66.5 Å²	66.5	7%	0.072	35%	0.348	C	S	.	.	H	α-helix	trans	-80.1	-38	174.6	0	0	0	0	0	113.3	M17 I18 E19 S23 K24 I26	M17-G21 PolarHBondContact O-N 2.72Å; M17-G21 VanDerWaalsContact O-N 3.09Å; I18-G21 CarbonylContact O-C 3.58Å; I18-G21 WeakPolarHBondContact O-CA 3.13Å; I18-G21 PolarHBondContact O-N 3.36Å; E19-G21 VanDerWaalsContact C-N 3.27Å; E19-G21 PolarHBondContact O-N 3.06Å; G21-S23 VanDerWaalsContact C-N 3.27Å; G21-S23 PolarHBondContact O-N 2.91Å; G21-K24 WeakPolarHBondContact O-CB 3.48Å; G21-K24 PolarHBondContact O-N 2.66Å; G21-I26 WeakPolarHBondContact O-CD1 3.47Å
22	F	89.6	Confident	86.1	Confident	25 Å²	25	75 Å²	75	11%	0.11	39%	0.388	C	S	.	.	H	α-helix	trans	-58	-35.5	-174	-171	-100.8	0	0	0	113.9	I18 E19 K24 F91 R94 V98 I119	I18-F22 WeakPolarHBondContact O-CB 3.43Å; I18-F22 PolarHBondContact O-N 3.01Å; E19-F22 PolarHBondContact O-N 3.27Å; F22-K24 VanDerWaalsContact C-N 3.27Å; F22-K24 PolarHBondContact O-N 3.18Å; F22-F91 HydrophobicContact CB-CD2 4.34Å; F22-F91 HydrophobicContact CB-CE2 3.93Å; F22-F91 AromaticContact CD2-CD2 3.84Å; F22-F91 HydrophobicContact CD2-CD2 3.84Å; F22-F91 HydrophobicContact CD2-CE2 4.28Å; F22-R94 HydrophobicContact CE1-CB 4.19Å; F22-R94 HydrophobicContact CE2-CB 4.38Å; F22-R94 VanDerWaalsContact CZ-CA 3.45Å; F22-R94 HydrophobicContact CZ-CB 3.97Å; F22-R94 WeakPolarHBondContact CZ-O 3.24Å; F22-V98 HydrophobicContact CD2-CG2 4.5Å; F22-V98 HydrophobicContact CE2-CG2 4.08Å; F22-I119 HydrophobicContact CB-CD1 3.76Å; F22-I119 HydrophobicContact CD1-CD1 3.61Å; F22-I119 HydrophobicContact CD1-CG1 4.13Å; F22-I119 HydrophobicContact CD1-CG2 4.39Å; F22-I119 HydrophobicContact CD2-CD1 4Å; F22-I119 HydrophobicContact CD2-CG1 4.11Å; F22-I119 HydrophobicContact CE1-CD1 4.13Å; F22-I119 HydrophobicContact CE1-CG1 4.17Å; F22-I119 HydrophobicContact CE1-CG2 3.89Å; F22-I119 HydrophobicContact CE2-CD1 4.47Å; F22-I119 HydrophobicContact CE2-CG1 4.13Å; F22-I119 HydrophobicContact CG-CD1 3.53Å; F22-I119 HydrophobicContact CG-CG1 4.09Å; F22-I119 HydrophobicContact CZ-CG1 4.14Å; F22-I119 HydrophobicContact CZ-CG2 4.19Å
23	S	82.2	Confident	84.4	Confident	93 Å²	93	74.4 Å²	74.4	65%	0.65	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.5	-12.6	179.2	-61	0	0	0	0	113.7	G21 R94	G21-S23 VanDerWaalsContact C-N 3.27Å; G21-S23 PolarHBondContact O-N 2.91Å; S23-R94 PolarHBondContact O-NH2 2.94Å
24	K	80.5	Confident	83.3	Confident	134 Å²	134	77 Å²	77	58%	0.583	39%	0.394	S	S	*	.	S	Bend	trans	-93.7	159.5	-176.2	-62.8	177.3	-175.5	173.6	0	110.3	A20 G21 F22 I26 R94	A20-K24 WeakPolarHBondContact O-CE 3.47Å; G21-K24 WeakPolarHBondContact O-CB 3.48Å; G21-K24 PolarHBondContact O-N 2.66Å; F22-K24 VanDerWaalsContact C-N 3.27Å; F22-K24 PolarHBondContact O-N 3.18Å; K24-I26 HydrophobicContact CB-CD1 4.19Å; K24-I26 HydrophobicContact CB-CG1 3.77Å; K24-R94 PolarHBondContact O-NH2 3.01Å
25	S	69.3	Low	81.6	Confident	113 Å²	113	77.9 Å²	77.9	79%	0.79	40%	0.401	S	S	*	.			trans	-89.3	108.8	163.9	-169	0	0	0	0	105.7
26	I	68.6	Low	80.6	Confident	40 Å²	40	79.7 Å²	79.7	21%	0.205	41%	0.41	C	S	.	.			trans	-109.5	134.6	-172.9	-53.1	-172.4	0	0	0	108.5	G21 K24 V41 F91	G21-I26 WeakPolarHBondContact O-CD1 3.47Å; K24-I26 HydrophobicContact CB-CD1 4.19Å; K24-I26 HydrophobicContact CB-CG1 3.77Å; I26-V41 HydrophobicContact CD1-CG2 3.5Å; I26-V41 HydrophobicContact CG2-CG2 4.48Å; I26-F91 HydrophobicContact CD1-CE1 4.13Å; I26-F91 HydrophobicContact CD1-CZ 4.05Å
27	P	75.2	Confident	79.8	Confident	107 Å²	107	74 Å²	74	70%	0.695	39%	0.386	S	S	*	.			trans	-54.5	140.6	166	-22.1	33.1	0	0	0	110.8
28	Y	80.7	Confident	79.2	Confident	111 Å²	111	71.3 Å²	71.3	44%	0.435	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	146.8	173.4	62.3	-93.6	0	0	0	108.7	L37 V38 V92	Y28-L37 HydrophobicContact CD2-CD1 3.99Å; Y28-L37 HydrophobicContact CD2-CD2 3.66Å; Y28-L37 HydrophobicContact CD2-CG 4.3Å; Y28-L37 HydrophobicContact CE2-CD1 4.22Å; Y28-L37 HydrophobicContact CE2-CD2 3.83Å; Y28-L37 HydrophobicContact CG-CD1 4.41Å; Y28-V38 WeakPolarHBondContact CA-O 3.19Å; Y28-V92 HydrophobicContact CD1-CB 4.49Å; Y28-V92 HydrophobicContact CD1-CG1 3.48Å; Y28-V92 VanDerWaalsContact CD1-CG1 3.48Å; Y28-V92 HydrophobicContact CD1-CG2 4.12Å; Y28-V92 HydrophobicContact CE1-CG1 3.69Å; Y28-V92 HydrophobicContact CG-CG1 4.15Å; Y28-V92 HydrophobicContact CG-CG2 4.07Å
29	D	76.8	Confident	78.6	Confident	88 Å²	88	71.4 Å²	71.4	47%	0.471	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	156.3	170.7	-65.9	-45	0	0	0	109.3	L37 V38	D29-L37 WeakPolarHBondContact O-CA 3.4Å; D29-V38 HydrophobicContact CB-CG1 3.81Å; D29-V38 PolarHBondContact N-O 3.4Å; D29-V38 PolarHBondContact O-N 3.34Å
30	K	75.1	Confident	78.3	Confident	138 Å²	138	73.1 Å²	73.1	60%	0.6	38%	0.382	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.7	138.3	173.2	-62.9	172.8	-176.1	174.3	0	108.6	L37	K30-L37 HydrophobicContact CG-CD2 4.05Å
31	K	78.7	Confident	78.2	Confident	66 Å²	66	71.4 Å²	71.4	29%	0.287	37%	0.366	S	S	.	.	S	Bend	trans	-90.4	-111.6	171.2	-65.7	-174.2	-168.6	-179.3	0	108.9	D36 L37 V38 E65 E66	K31-D36 HydrophobicContact CB-CB 4.27Å; K31-D36 VanDerWaalsContact CB-CG 3.5Å; K31-D36 WeakPolarHBondContact CB-OD2 3.46Å; K31-D36 WeakPolarHBondContact CD-OD1 3.2Å; K31-D36 PolarHBondContact N-O 2.95Å; K31-L37 WeakPolarHBondContact CE-O 3.43Å; K31-V38 HydrophobicContact CD-CB 4.5Å; K31-V38 HydrophobicContact CG-CB 4.23Å; K31-V38 HydrophobicContact CG-CG1 4.17Å; K31-E65 VanDerWaalsContact NZ-CD 3.31Å; K31-E65 IonicContact NZ-OE1 2.74Å; K31-E65 PolarHBondContact NZ-OE1 3.35Å; K31-E66 VanDerWaalsContact CE-OE1 3.32Å; K31-E66 WeakPolarHBondContact CE-OE1 3.35Å; K31-E66 IonicContact NZ-OE1 2.81Å; K31-E66 PolarHBondContact NZ-OE1 2.94Å; K31-E66 IonicContact NZ-OE2 3.35Å
32	E	71	Confident	78.2	Confident	180 Å²	180	71.1 Å²	71.1	84%	0.841	36%	0.362	S	S	*	.	S	Bend	trans	-78.1	-31.8	-175.6	-61.3	-168.7	163.2	0	0	113.4	D36	E32-D36 PolarHBondContact N-OD2 3.02Å; E32-D36 VanDerWaalsContact N-OD2 3.12Å
33	S	63.9	Low	78.4	Confident	27 Å²	27	73.7 Å²	73.7	19%	0.189	37%	0.374	C	S	.	.	S	Bend	trans	-141	171.8	-175.9	97.9	0	0	0	0	112.1	A35 D36 G158	S33-A35 PolarHBondContact O-N 3.42Å; S33-A35 PolarHBondContact OG-N 3.04Å; S33-A35 VanDerWaalsContact OG-N 3.08Å; S33-D36 PolarHBondContact O-N 3.03Å; S33-D36 PolarHBondContact OG-N 2.79Å; S33-G158 PolarHBondContact OG-O 3.11Å
34	Y	75.2	Confident	78.9	Confident	158 Å²	158	71.4 Å²	71.4	62%	0.62	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-12.4	175.4	64.9	-97.6	0	0	0	113.8	R160	Y34-R160 HydrophobicContact CE1-CB 4.2Å; Y34-R160 HydrophobicContact CE1-CG 3.91Å; Y34-R160 HydrophobicContact CE2-CG 4.36Å; Y34-R160 WeakPolarHBondContact OH-CD 3.26Å
35	A	62.4	Low	79.7	Confident	18 Å²	18	65 Å²	65	15%	0.149	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.6	-3.4	176.3	0	0	0	0	0	113.1	S33 S89 R160	S33-A35 PolarHBondContact O-N 3.42Å; S33-A35 PolarHBondContact OG-N 3.04Å; S33-A35 VanDerWaalsContact OG-N 3.08Å; A35-S89 PolarHBondContact O-OG 3.35Å; A35-R160 HydrophobicContact CB-CG 4.49Å
36	D	75.6	Confident	81	Confident	38 Å²	38	60.7 Å²	60.7	20%	0.203	30%	0.3	C	S	.	.			trans	-110.4	111	178.2	-177.7	22.5	0	0	0	108.6	K31 E32 S33	K31-D36 HydrophobicContact CB-CB 4.27Å; K31-D36 VanDerWaalsContact CB-CG 3.5Å; K31-D36 WeakPolarHBondContact CB-OD2 3.46Å; K31-D36 WeakPolarHBondContact CD-OD1 3.2Å; K31-D36 PolarHBondContact N-O 2.95Å; E32-D36 PolarHBondContact N-OD2 3.02Å; E32-D36 VanDerWaalsContact N-OD2 3.12Å; S33-D36 PolarHBondContact O-N 3.03Å; S33-D36 PolarHBondContact OG-N 2.79Å
37	L	82.3	Confident	82.4	Confident	14 Å²	14	63 Å²	63	7%	0.073	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	154.1	-163.1	-55.6	-176.4	0	0	0	110.6	Y28 D29 K30 K31 T88 V92	Y28-L37 HydrophobicContact CD2-CD1 3.99Å; Y28-L37 HydrophobicContact CD2-CD2 3.66Å; Y28-L37 HydrophobicContact CD2-CG 4.3Å; Y28-L37 HydrophobicContact CE2-CD1 4.22Å; Y28-L37 HydrophobicContact CE2-CD2 3.83Å; Y28-L37 HydrophobicContact CG-CD1 4.41Å; D29-L37 WeakPolarHBondContact O-CA 3.4Å; K30-L37 HydrophobicContact CG-CD2 4.05Å; K31-L37 WeakPolarHBondContact CE-O 3.43Å; L37-T88 HydrophobicContact CB-CG2 4.11Å; L37-T88 WeakPolarHBondContact O-CG2 3.48Å; L37-V92 HydrophobicContact CD1-CB 4.28Å; L37-V92 HydrophobicContact CD1-CG1 4.36Å; L37-V92 HydrophobicContact CD1-CG2 4Å
38	V	82.8	Confident	83.4	Confident	10 Å²	10	60 Å²	60	6%	0.061	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	145	167.7	60.6	0	0	0	0	109.4	Y28 D29 K31 D42 K43 E66	Y28-V38 WeakPolarHBondContact CA-O 3.19Å; D29-V38 HydrophobicContact CB-CG1 3.81Å; D29-V38 PolarHBondContact N-O 3.4Å; D29-V38 PolarHBondContact O-N 3.34Å; K31-V38 HydrophobicContact CD-CB 4.5Å; K31-V38 HydrophobicContact CG-CB 4.23Å; K31-V38 HydrophobicContact CG-CG1 4.17Å; V38-D42 HydrophobicContact CG2-CB 4.03Å; V38-K43 HydrophobicContact CG2-CG 4.29Å; V38-E66 VanDerWaalsContact CG2-CD 3.5Å; V38-E66 HydrophobicContact CG2-CG 4.41Å; V38-E66 VanDerWaalsContact CG2-OE2 3.31Å; V38-E66 WeakPolarHBondContact CG2-OE2 3.42Å
39	T	83.3	Confident	84.3	Confident	1 Å²	1	54.7 Å²	54.7	1%	0.006	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	163.1	170.2	81.2	0	0	0	0	111.4	V41 D42 K43 T88 F91 V92	T39-V41 PolarHBondContact O-N 3.31Å; T39-V41 VanDerWaalsContact O-N 3.15Å; T39-V41 WeakPolarHBondContact OG1-CB 3.37Å; T39-V41 PolarHBondContact OG1-N 2.87Å; T39-V41 VanDerWaalsContact OG1-N 3.12Å; T39-D42 WeakPolarHBondContact CA-OD2 3.24Å; T39-D42 VanDerWaalsContact CB-OD2 3.24Å; T39-D42 WeakPolarHBondContact CB-OD2 3.37Å; T39-D42 PolarHBondContact N-OD2 3.38Å; T39-D42 WeakPolarHBondContact O-CB 3.45Å; T39-D42 PolarHBondContact O-N 2.83Å; T39-D42 VanDerWaalsContact O-N 3.12Å; T39-D42 PolarHBondContact OG1-N 2.99Å; T39-D42 PolarHBondContact OG1-OD2 2.93Å; T39-K43 PolarHBondContact O-N 2.96Å; T39-T88 HydrophobicContact CG2-CG2 4.12Å; T39-F91 HydrophobicContact CG2-CD1 3.95Å; T39-F91 HydrophobicContact CG2-CE1 4.12Å; T39-V92 HydrophobicContact CG2-CG2 3.86Å
40	E	88.1	Confident	85.2	Confident	112 Å²	112	51.4 Å²	51.4	52%	0.523	25%	0.251	S	S	.	.	H	α-helix	trans	-61.4	-19.3	170.6	-66.8	-60.6	116.6	0	0	112.4	K43 A44	E40-K43 IonicContact OE1-NZ 2.69Å; E40-K43 PolarHBondContact OE1-NZ 3.37Å; E40-A44 VanDerWaalsContact O-CB 3.24Å; E40-A44 WeakPolarHBondContact O-CB 3.46Å; E40-A44 PolarHBondContact O-N 3.23Å
41	V	91	Very high	86.3	Confident	20 Å²	20	50.1 Å²	50.1	12%	0.121	25%	0.247	C	C	.	.	H	α-helix	trans	-72.8	-42.1	174.4	-172.1	0	0	0	0	110.5	I26 T39 K43 A44 V45 I85 F91	I26-V41 HydrophobicContact CD1-CG2 3.5Å; I26-V41 HydrophobicContact CG2-CG2 4.48Å; T39-V41 PolarHBondContact O-N 3.31Å; T39-V41 VanDerWaalsContact O-N 3.15Å; T39-V41 WeakPolarHBondContact OG1-CB 3.37Å; T39-V41 PolarHBondContact OG1-N 2.87Å; T39-V41 VanDerWaalsContact OG1-N 3.12Å; V41-K43 PolarHBondContact O-N 2.93Å; V41-A44 PolarHBondContact O-N 3.49Å; V41-V45 HydrophobicContact CG1-CG2 4.12Å; V41-V45 WeakPolarHBondContact O-CB 3.34Å; V41-V45 VanDerWaalsContact O-CG2 3.23Å; V41-V45 WeakPolarHBondContact O-CG2 3.19Å; V41-V45 PolarHBondContact O-N 3.41Å; V41-I85 HydrophobicContact CB-CD1 4.11Å; V41-I85 HydrophobicContact CG1-CD1 3.83Å; V41-F91 HydrophobicContact CB-CE1 4.03Å; V41-F91 HydrophobicContact CB-CZ 3.95Å; V41-F91 HydrophobicContact CG1-CE1 4.48Å; V41-F91 HydrophobicContact CG1-CZ 3.94Å; V41-F91 HydrophobicContact CG2-CE1 4Å; V41-F91 HydrophobicContact CG2-CZ 3.87Å
42	D	91.3	Very high	87.2	Confident	0 Å²	0	50.1 Å²	50.1	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-54.9	-53.7	175.1	-57.2	-113.7	0	0	0	110.1	V38 T39 A44 V45 E46 E66 P84 I85 T88	V38-D42 HydrophobicContact CG2-CB 4.03Å; T39-D42 WeakPolarHBondContact CA-OD2 3.24Å; T39-D42 VanDerWaalsContact CB-OD2 3.24Å; T39-D42 WeakPolarHBondContact CB-OD2 3.37Å; T39-D42 PolarHBondContact N-OD2 3.38Å; T39-D42 WeakPolarHBondContact O-CB 3.45Å; T39-D42 PolarHBondContact O-N 2.83Å; T39-D42 VanDerWaalsContact O-N 3.12Å; T39-D42 PolarHBondContact OG1-N 2.99Å; T39-D42 PolarHBondContact OG1-OD2 2.93Å; D42-A44 VanDerWaalsContact C-N 3.34Å; D42-A44 PolarHBondContact O-N 3.5Å; D42-V45 PolarHBondContact O-N 2.9Å; D42-E46 PolarHBondContact O-N 3.27Å; D42-E66 HydrophobicContact CB-CG 4.31Å; D42-P84 HydrophobicContact CB-CG 4.36Å; D42-P84 WeakPolarHBondContact O-CB 3.47Å; D42-I85 HydrophobicContact CB-CD1 4.33Å; D42-I85 HydrophobicContact CB-CG1 4.48Å; D42-I85 WeakPolarHBondContact OD1-CB 3.22Å; D42-T88 WeakPolarHBondContact OD1-CG2 3.4Å; D42-T88 PolarHBondContact OD1-OG1 3.43Å; D42-T88 VanDerWaalsContact OD1-OG1 3.11Å
43	K	92.3	Very high	88.5	Confident	80 Å²	80	41.5 Å²	41.5	35%	0.348	21%	0.208	S	C	.	.	H	α-helix	trans	-59.6	-41.7	178.3	-62	176.1	-168.3	159.3	0	112.6	V38 T39 E40 V41 N47	V38-K43 HydrophobicContact CG2-CG 4.29Å; T39-K43 PolarHBondContact O-N 2.96Å; E40-K43 IonicContact OE1-NZ 2.69Å; E40-K43 PolarHBondContact OE1-NZ 3.37Å; V41-K43 PolarHBondContact O-N 2.93Å; K43-N47 WeakPolarHBondContact O-CB 3.5Å; K43-N47 PolarHBondContact O-N 2.8Å
44	A	93.9	Very high	90.1	Very high	45 Å²	45	43.9 Å²	43.9	37%	0.372	22%	0.218	S	C	.	.	H	α-helix	trans	-67.8	-40.6	179.4	0	0	0	0	0	112.2	M17 E40 V41 D42 Y48	M17-A44 HydrophobicContact CE-CB 3.95Å; M17-A44 WeakPolarHBondContact CE-O 3.34Å; E40-A44 VanDerWaalsContact O-CB 3.24Å; E40-A44 WeakPolarHBondContact O-CB 3.46Å; E40-A44 PolarHBondContact O-N 3.23Å; V41-A44 PolarHBondContact O-N 3.49Å; D42-A44 VanDerWaalsContact C-N 3.34Å; D42-A44 PolarHBondContact O-N 3.5Å; A44-Y48 WeakPolarHBondContact O-CB 3.33Å; A44-Y48 PolarHBondContact O-N 3.49Å
45	V	96.4	Very high	91.1	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-66.2	-46.1	177.1	170	0	0	0	0	110.4	A14 M17 I18 V41 D42 N47 Y48 I49 P84	A14-V45 HydrophobicContact CB-CG1 3.91Å; M17-V45 HydrophobicContact CB-CG2 3.9Å; M17-V45 HydrophobicContact CE-CG2 4.15Å; M17-V45 HydrophobicContact SD-CG2 4.48Å; I18-V45 HydrophobicContact CG1-CG2 3.87Å; V41-V45 HydrophobicContact CG1-CG2 4.12Å; V41-V45 WeakPolarHBondContact O-CB 3.34Å; V41-V45 VanDerWaalsContact O-CG2 3.23Å; V41-V45 WeakPolarHBondContact O-CG2 3.19Å; V41-V45 PolarHBondContact O-N 3.41Å; D42-V45 PolarHBondContact O-N 2.9Å; V45-N47 PolarHBondContact O-N 3.26Å; V45-Y48 PolarHBondContact O-N 3.34Å; V45-I49 HydrophobicContact CG1-CD1 3.62Å; V45-I49 HydrophobicContact CG1-CG1 4.34Å; V45-I49 VanDerWaalsContact O-CG1 3.27Å; V45-I49 WeakPolarHBondContact O-CG1 3.17Å; V45-I49 PolarHBondContact O-N 2.94Å; V45-P84 HydrophobicContact CB-CB 4Å; V45-P84 HydrophobicContact CG1-CB 3.74Å; V45-P84 WeakPolarHBondContact CG1-O 3.34Å
46	E	97.5	Very high	92.8	Very high	21 Å²	21	42.2 Å²	42.2	10%	0.098	23%	0.233	C	C	.	.	H	α-helix	trans	-58.9	-50.9	176.6	-173.1	-179.6	110.3	0	0	111.1	D42 Y48 I49 C50 A64 E66 G67 P84	D42-E46 PolarHBondContact O-N 3.27Å; E46-Y48 VanDerWaalsContact C-N 3.28Å; E46-Y48 PolarHBondContact O-N 3.37Å; E46-I49 PolarHBondContact O-N 3.36Å; E46-I49 VanDerWaalsContact O-N 3.15Å; E46-C50 WeakPolarHBondContact O-CB 3.47Å; E46-C50 PolarHBondContact O-N 2.81Å; E46-C50 PolarHBondContact O-SG 2.95Å; E46-A64 VanDerWaalsContact CD-CB 3.4Å; E46-A64 HydrophobicContact CG-CB 3.79Å; E46-A64 VanDerWaalsContact OE2-CB 3.28Å; E46-A64 WeakPolarHBondContact OE2-CB 3.41Å; E46-E66 WeakPolarHBondContact OE2-CA 3.5Å; E46-E66 VanDerWaalsContact OE2-CB 3.24Å; E46-E66 WeakPolarHBondContact OE2-CB 3.49Å; E46-E66 PolarHBondContact OE2-N 2.87Å; E46-G67 VanDerWaalsContact OE1-CA 3.31Å; E46-G67 WeakPolarHBondContact OE1-CA 3.33Å; E46-G67 PolarHBondContact OE1-N 2.99Å; E46-G67 PolarHBondContact OE2-N 2.78Å; E46-P84 HydrophobicContact CB-CB 3.93Å; E46-P84 HydrophobicContact CB-CG 4.07Å
47	N	96.7	Very high	93.8	Very high	90 Å²	90	42.1 Å²	42.1	48%	0.481	23%	0.231	S	C	.	.	H	α-helix	trans	-58.6	-42.4	-179.6	-170.6	16.9	0	0	0	111.5	K43 V45 Q51	K43-N47 WeakPolarHBondContact O-CB 3.5Å; K43-N47 PolarHBondContact O-N 2.8Å; V45-N47 PolarHBondContact O-N 3.26Å; N47-Q51 WeakPolarHBondContact O-CB 3.39Å; N47-Q51 WeakPolarHBondContact O-CG 3.29Å; N47-Q51 PolarHBondContact O-N 2.95Å; N47-Q51 PolarHBondContact OD1-NE2 2.8Å
48	Y	97.7	Very high	94.5	Very high	42 Å²	42	46.2 Å²	46.2	17%	0.165	26%	0.259	C	S	.	.	H	α-helix	trans	-59	-51	174.4	168.4	-106.4	0	0	0	112.2	L10 K13 A14 M17 A44 V45 E46 C50 Q51 E52	L10-Y48 HydrophobicContact CD1-CE1 3.82Å; K13-Y48 HydrophobicContact CB-CE1 3.82Å; K13-Y48 WeakPolarHBondContact CB-OH 3.45Å; K13-Y48 WeakPolarHBondContact CD-OH 3.36Å; A14-Y48 HydrophobicContact CB-CD1 4.35Å; A14-Y48 HydrophobicContact CB-CE1 4.43Å; M17-Y48 HydrophobicContact SD-CD1 3.87Å; M17-Y48 HydrophobicContact SD-CG 3.83Å; A44-Y48 WeakPolarHBondContact O-CB 3.33Å; A44-Y48 PolarHBondContact O-N 3.49Å; V45-Y48 PolarHBondContact O-N 3.34Å; E46-Y48 VanDerWaalsContact C-N 3.28Å; E46-Y48 PolarHBondContact O-N 3.37Å; Y48-C50 PolarHBondContact O-N 2.86Å; Y48-Q51 PolarHBondContact O-N 3.27Å; Y48-E52 HydrophobicContact CD2-CG 4.04Å; Y48-E52 HydrophobicContact CE1-CG 4.4Å; Y48-E52 HydrophobicContact CE2-CG 3.4Å; Y48-E52 WeakPolarHBondContact O-CG 3.49Å; Y48-E52 PolarHBondContact O-N 3.1Å; Y48-E52 VanDerWaalsContact O-N 3.11Å; Y48-E52 PolarHBondContact OH-OE2 2.83Å; Y48-E52 VanDerWaalsContact OH-OE2 3.09Å
49	I	98.1	Very high	95.1	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-60.7	-48.3	-179.2	-67.4	167.8	0	0	0	110.5	L10 A14 V45 E46 Q51 E52 I53 I82 V100 I102	L10-I49 HydrophobicContact CD2-CG2 3.92Å; L10-I49 HydrophobicContact CG-CG1 4.46Å; L10-I49 HydrophobicContact CG-CG2 4.36Å; A14-I49 HydrophobicContact CB-CD1 3.93Å; A14-I49 HydrophobicContact CB-CG1 4.01Å; V45-I49 HydrophobicContact CG1-CD1 3.62Å; V45-I49 HydrophobicContact CG1-CG1 4.34Å; V45-I49 VanDerWaalsContact O-CG1 3.27Å; V45-I49 WeakPolarHBondContact O-CG1 3.17Å; V45-I49 PolarHBondContact O-N 2.94Å; E46-I49 PolarHBondContact O-N 3.36Å; E46-I49 VanDerWaalsContact O-N 3.15Å; I49-Q51 PolarHBondContact O-N 3.1Å; I49-E52 PolarHBondContact O-N 3.21Å; I49-I53 HydrophobicContact CG2-CD1 3.66Å; I49-I53 WeakPolarHBondContact O-CB 3.27Å; I49-I53 VanDerWaalsContact O-CG1 3.31Å; I49-I53 WeakPolarHBondContact O-CG1 3.31Å; I49-I53 PolarHBondContact O-N 2.73Å; I49-I82 HydrophobicContact CD1-CG2 4.05Å; I49-I82 HydrophobicContact CG2-CD1 3.57Å; I49-I82 HydrophobicContact CG2-CG1 4.05Å; I49-I82 HydrophobicContact CG2-CG2 4.11Å; I49-V100 HydrophobicContact CD1-CG2 3.62Å; I49-I102 HydrophobicContact CD1-CD1 4.15Å; I49-I102 HydrophobicContact CD1-CG1 4.46Å; I49-I102 HydrophobicContact CG1-CD1 4.47Å; I49-I102 HydrophobicContact CG2-CD1 4.23Å
50	C	96.9	Very high	95.7	Very high	19 Å²	19	52.7 Å²	52.7	13%	0.128	30%	0.297	C	S	.	.	H	α-helix	trans	-60.5	-43.2	179.8	-70.3	0	0	0	0	112.1	E46 Y48 I53 L54 I62	E46-C50 WeakPolarHBondContact O-CB 3.47Å; E46-C50 PolarHBondContact O-N 2.81Å; E46-C50 PolarHBondContact O-SG 2.95Å; Y48-C50 PolarHBondContact O-N 2.86Å; C50-I53 PolarHBondContact O-N 3.06Å; C50-L54 WeakPolarHBondContact O-CB 3.42Å; C50-L54 VanDerWaalsContact O-CG 3.31Å; C50-L54 WeakPolarHBondContact O-CG 3.3Å; C50-L54 PolarHBondContact O-N 2.9Å; C50-I62 HydrophobicContact CB-CD1 3.98Å
51	Q	97.3	Very high	96.1	Very high	111 Å²	111	51.7 Å²	51.7	52%	0.519	29%	0.29	S	S	.	.	H	α-helix	trans	-63.1	-47.5	177.9	-76.4	176.7	12.2	0	0	112.4	N47 Y48 I49 I53 L54 A55	N47-Q51 WeakPolarHBondContact O-CB 3.39Å; N47-Q51 WeakPolarHBondContact O-CG 3.29Å; N47-Q51 PolarHBondContact O-N 2.95Å; N47-Q51 PolarHBondContact OD1-NE2 2.8Å; Y48-Q51 PolarHBondContact O-N 3.27Å; I49-Q51 PolarHBondContact O-N 3.1Å; Q51-I53 VanDerWaalsContact C-N 3.31Å; Q51-I53 PolarHBondContact O-N 3.38Å; Q51-L54 PolarHBondContact O-N 2.92Å; Q51-A55 VanDerWaalsContact O-CB 3.23Å; Q51-A55 WeakPolarHBondContact O-CB 3.15Å; Q51-A55 PolarHBondContact O-N 3.09Å
52	E	98	Very high	96.3	Very high	66 Å²	66	53 Å²	53	31%	0.308	30%	0.296	S	S	.	.	H	α-helix	trans	-65	-38	-179.6	-66.2	-83.7	104	0	0	111.8	L10 K13 Y48 I49 S56	L10-E52 HydrophobicContact CD1-CB 3.6Å; L10-E52 HydrophobicContact CD1-CG 3.88Å; K13-E52 IonicContact NZ-OE2 3.55Å; K13-E52 PolarHBondContact NZ-OE2 3.21Å; Y48-E52 HydrophobicContact CD2-CG 4.04Å; Y48-E52 HydrophobicContact CE1-CG 4.4Å; Y48-E52 HydrophobicContact CE2-CG 3.4Å; Y48-E52 WeakPolarHBondContact O-CG 3.49Å; Y48-E52 PolarHBondContact O-N 3.1Å; Y48-E52 VanDerWaalsContact O-N 3.11Å; Y48-E52 PolarHBondContact OH-OE2 2.83Å; Y48-E52 VanDerWaalsContact OH-OE2 3.09Å; I49-E52 PolarHBondContact O-N 3.21Å; E52-S56 WeakPolarHBondContact O-CB 3.46Å; E52-S56 PolarHBondContact O-N 2.97Å; E52-S56 PolarHBondContact O-OG 3.08Å
53	I	97.7	Very high	96.5	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-63.4	-52.3	174.8	-74.5	169.5	0	0	0	110.5	F6 L10 I49 C50 Q51 A55 S56 F57 I62 W80 I82	F6-I53 HydrophobicContact CE1-CG1 4.26Å; F6-I53 HydrophobicContact CZ-CG1 4.47Å; L10-I53 HydrophobicContact CD2-CD1 3.94Å; L10-I53 HydrophobicContact CD2-CG1 3.68Å; I49-I53 HydrophobicContact CG2-CD1 3.66Å; I49-I53 WeakPolarHBondContact O-CB 3.27Å; I49-I53 VanDerWaalsContact O-CG1 3.31Å; I49-I53 WeakPolarHBondContact O-CG1 3.31Å; I49-I53 PolarHBondContact O-N 2.73Å; C50-I53 PolarHBondContact O-N 3.06Å; Q51-I53 VanDerWaalsContact C-N 3.31Å; Q51-I53 PolarHBondContact O-N 3.38Å; I53-A55 VanDerWaalsContact C-N 3.32Å; I53-A55 PolarHBondContact O-N 2.96Å; I53-S56 PolarHBondContact O-N 3.07Å; I53-F57 WeakPolarHBondContact O-CA 3.38Å; I53-F57 WeakPolarHBondContact O-CB 3.33Å; I53-F57 PolarHBondContact O-N 2.9Å; I53-I62 HydrophobicContact CB-CD1 4.31Å; I53-I62 HydrophobicContact CG2-CD1 3.95Å; I53-I62 HydrophobicContact CG2-CG1 4.29Å; I53-W80 HydrophobicContact CD1-CB 4.13Å; I53-W80 HydrophobicContact CD1-CD2 3.84Å; I53-W80 HydrophobicContact CD1-CE3 4.03Å; I53-W80 HydrophobicContact CD1-CG 3.89Å; I53-W80 HydrophobicContact CG1-CD2 4.29Å; I53-W80 HydrophobicContact CG2-CD2 4.17Å; I53-W80 HydrophobicContact CG2-CG 3.91Å; I53-I82 HydrophobicContact CD1-CD1 3.71Å
54	L	97	Very high	96.6	Very high	76 Å²	76	50.1 Å²	50.1	40%	0.398	29%	0.285	S	S	.	.	H	α-helix	trans	-70.9	-27.9	-176.5	-68.5	174.6	0	0	0	112.6	C50 Q51 S56 F57 P58 I62	C50-L54 WeakPolarHBondContact O-CB 3.42Å; C50-L54 VanDerWaalsContact O-CG 3.31Å; C50-L54 WeakPolarHBondContact O-CG 3.3Å; C50-L54 PolarHBondContact O-N 2.9Å; Q51-L54 PolarHBondContact O-N 2.92Å; L54-S56 VanDerWaalsContact C-N 3.35Å; L54-F57 CarbonylContact O-C 3.49Å; L54-P58 VanDerWaalsContact O-CA 3.23Å; L54-P58 WeakPolarHBondContact O-CA 3.37Å; L54-P58 WeakPolarHBondContact O-CG 3.34Å; L54-I62 HydrophobicContact CD1-CD1 4.11Å; L54-I62 HydrophobicContact CD2-CD1 4.03Å; L54-I62 HydrophobicContact CG-CD1 3.77Å
55	A	97.4	Very high	96.6	Very high	79 Å²	79	49.5 Å²	49.5	65%	0.653	27%	0.274	S	S	*	.	H	α-helix	trans	-65.5	-39.3	171.9	0	0	0	0	0	111.9	Q51 I53	Q51-A55 VanDerWaalsContact O-CB 3.23Å; Q51-A55 WeakPolarHBondContact O-CB 3.15Å; Q51-A55 PolarHBondContact O-N 3.09Å; I53-A55 VanDerWaalsContact C-N 3.32Å; I53-A55 PolarHBondContact O-N 2.96Å
56	S	97.7	Very high	96.1	Very high	63 Å²	63	51.9 Å²	51.9	44%	0.441	29%	0.286	S	S	.	.	H	α-helix	trans	-85.5	-31.7	-179.6	-54.9	0	0	0	0	112.7	F6 E52 I53 L54	F6-S56 WeakPolarHBondContact CE2-OG 3.36Å; E52-S56 WeakPolarHBondContact O-CB 3.46Å; E52-S56 PolarHBondContact O-N 2.97Å; E52-S56 PolarHBondContact O-OG 3.08Å; I53-S56 PolarHBondContact O-N 3.07Å; L54-S56 VanDerWaalsContact C-N 3.35Å
57	F	97.3	Very high	95.4	Very high	36 Å²	36	53.3 Å²	53.3	16%	0.158	31%	0.306	C	S	.	.			trans	-137.5	71.2	-173.8	-51.8	-71.1	0	0	0	111.9	A2 F6 I53 L54 T59 H60 W80	A2-F57 HydrophobicContact CB-CE2 4.03Å; A2-F57 HydrophobicContact CB-CZ 3.83Å; F6-F57 AromaticContact CD1-CE2 3.95Å; F6-F57 HydrophobicContact CD1-CE2 3.95Å; F6-F57 HydrophobicContact CE1-CD2 4.33Å; F6-F57 AromaticContact CE1-CE2 3.69Å; F6-F57 HydrophobicContact CE1-CE2 3.69Å; F6-F57 HydrophobicContact CE2-CE2 4.27Å; F6-F57 HydrophobicContact CG-CE2 4.36Å; F6-F57 HydrophobicContact CZ-CD2 4.38Å; F6-F57 AromaticContact CZ-CE2 3.86Å; F6-F57 HydrophobicContact CZ-CE2 3.86Å; I53-F57 WeakPolarHBondContact O-CA 3.38Å; I53-F57 WeakPolarHBondContact O-CB 3.33Å; I53-F57 PolarHBondContact O-N 2.9Å; L54-F57 CarbonylContact O-C 3.49Å; F57-T59 PolarHBondContact O-N 3.3Å; F57-H60 HydrophobicContact CB-CB 4.06Å; F57-H60 VanDerWaalsContact CB-CG 3.47Å; F57-H60 WeakPolarHBondContact CB-ND1 3.4Å; F57-H60 AromaticContact CD1-CE1 3.64Å; F57-H60 AromaticContact CD1-NE2 3.86Å; F57-H60 AromaticContact CG-CE1 3.57Å; F57-H60 AromaticContact CG-ND1 3.77Å; F57-H60 AromaticContact CG-NE2 4Å; F57-H60 PolarHBondContact O-N 3.18Å; F57-W80 AromaticContact CD2-CZ2 3.84Å; F57-W80 HydrophobicContact CD2-CZ2 3.84Å; F57-W80 AromaticContact CE2-CZ2 3.92Å; F57-W80 HydrophobicContact CE2-CZ2 3.92Å
58	P	96.5	Very high	94.8	Very high	100 Å²	100	53.8 Å²	53.8	65%	0.649	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-21	-171.7	-24.1	33	0	0	0	115.6	L54	L54-P58 VanDerWaalsContact O-CA 3.23Å; L54-P58 WeakPolarHBondContact O-CA 3.37Å; L54-P58 WeakPolarHBondContact O-CG 3.34Å
59	T	95.3	Very high	93.9	Very high	123 Å²	123	56.8 Å²	56.8	76%	0.755	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.8	-2.2	-178.3	64	0	0	0	0	113.5	F57	F57-T59 PolarHBondContact O-N 3.3Å
60	H	96	Very high	92.9	Very high	24 Å²	24	58.7 Å²	58.7	11%	0.111	35%	0.348	C	S	.	.			trans	-78.6	152.2	179.6	-71.2	-159.9	0	0	0	110.5	F57 P78 W80 Y104	F57-H60 HydrophobicContact CB-CB 4.06Å; F57-H60 VanDerWaalsContact CB-CG 3.47Å; F57-H60 WeakPolarHBondContact CB-ND1 3.4Å; F57-H60 AromaticContact CD1-CE1 3.64Å; F57-H60 AromaticContact CD1-NE2 3.86Å; F57-H60 AromaticContact CG-CE1 3.57Å; F57-H60 AromaticContact CG-ND1 3.77Å; F57-H60 AromaticContact CG-NE2 4Å; F57-H60 PolarHBondContact O-N 3.18Å; H60-P78 WeakPolarHBondContact CA-O 3.35Å; H60-P78 HydrophobicContact CB-CB 4.48Å; H60-W80 AromaticContact CG-NE1 3.69Å; H60-W80 AromaticContact ND1-CD1 3.89Å; H60-W80 AromaticContact ND1-CE2 3.77Å; H60-W80 AromaticContact ND1-NE1 2.99Å; H60-W80 PolarHBondContact ND1-NE1 3.05Å; H60-Y104 AromaticContact CE1-CE2 3.65Å; H60-Y104 AromaticContact CE1-CZ 3.95Å; H60-Y104 AromaticContact ND1-CE2 3.65Å
61	K	95.3	Very high	92	Very high	90 Å²	90	65 Å²	65	39%	0.391	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	158.2	173.2	-63.7	-177.1	179.8	178.5	0	110.6	T75 P78 T79 W80	K61-T75 VanDerWaalsContact NZ-CG2 3.33Å; K61-T75 PolarHBondContact NZ-OG1 2.89Å; K61-P78 PolarHBondContact N-O 2.87Å; K61-T79 HydrophobicContact CB-CG2 4.05Å; K61-T79 CarbonylContact O-C 3.54Å; K61-T79 WeakPolarHBondContact O-CA 3.48Å; K61-W80 PolarHBondContact O-N 3.48Å
62	I	95.7	Very high	91.4	Very high	48 Å²	48	61.9 Å²	61.9	25%	0.246	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	136.5	176.9	-64.6	175.8	0	0	0	109.2	C50 I53 L54 A64 W80 I82	C50-I62 HydrophobicContact CB-CD1 3.98Å; I53-I62 HydrophobicContact CB-CD1 4.31Å; I53-I62 HydrophobicContact CG2-CD1 3.95Å; I53-I62 HydrophobicContact CG2-CG1 4.29Å; L54-I62 HydrophobicContact CD1-CD1 4.11Å; L54-I62 HydrophobicContact CD2-CD1 4.03Å; L54-I62 HydrophobicContact CG-CD1 3.77Å; I62-A64 HydrophobicContact CG2-CB 4Å; I62-W80 CarbonylContact C-O 3.58Å; I62-W80 WeakPolarHBondContact CA-O 3.49Å; I62-W80 HydrophobicContact CG1-CB 4.29Å; I62-I82 HydrophobicContact CG2-CD1 3.9Å
63	I	96.2	Very high	90.9	Very high	14 Å²	14	65.7 Å²	65.7	7%	0.072	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	109.5	167.4	-54.1	-178	0	0	0	105.3	A72 T79 W80 I81 I82 W211	I63-A72 HydrophobicContact CD1-CB 4.07Å; I63-A72 HydrophobicContact CG1-CB 3.98Å; I63-A72 HydrophobicContact CG2-CB 4.08Å; I63-T79 HydrophobicContact CD1-CG2 3.97Å; I63-T79 HydrophobicContact CG1-CG2 3.9Å; I63-W80 PolarHBondContact N-O 2.87Å; I63-I81 HydrophobicContact CB-CG1 4.37Å; I63-I81 CarbonylContact O-C 3.57Å; I63-I81 VanDerWaalsContact O-CA 3.26Å; I63-I81 WeakPolarHBondContact O-CA 3.34Å; I63-I82 PolarHBondContact O-N 3.31Å; I63-W211 HydrophobicContact CG2-CE3 4.29Å
64	A	95.3	Very high	90.7	Very high	5 Å²	5	68 Å²	68	4%	0.041	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	147.8	-179	0	0	0	0	0	109.9	E46 I62 Y68 I82	E46-A64 VanDerWaalsContact CD-CB 3.4Å; E46-A64 HydrophobicContact CG-CB 3.79Å; E46-A64 VanDerWaalsContact OE2-CB 3.28Å; E46-A64 WeakPolarHBondContact OE2-CB 3.41Å; I62-A64 HydrophobicContact CG2-CB 4Å; A64-Y68 WeakPolarHBondContact O-CB 3.41Å; A64-Y68 PolarHBondContact O-N 2.63Å; A64-Y68 VanDerWaalsContact O-N 3.07Å; A64-I82 WeakPolarHBondContact CA-O 3.27Å; A64-I82 HydrophobicContact CB-CB 4.11Å
65	E	92.3	Very high	90.5	Very high	32 Å²	32	65.6 Å²	65.6	15%	0.15	39%	0.392	C	S	.	.	S	Bend	trans	-55.4	-54.1	-172.7	-179.8	177.5	-174.4	0	0	113.5	K31 Y68 I82 W211	K31-E65 VanDerWaalsContact NZ-CD 3.31Å; K31-E65 IonicContact NZ-OE1 2.74Å; K31-E65 PolarHBondContact NZ-OE1 3.35Å; E65-Y68 WeakPolarHBondContact O-CB 3.28Å; E65-Y68 PolarHBondContact O-N 3.5Å; E65-I82 PolarHBondContact N-O 2.82Å; E65-W211 HydrophobicContact CB-CD2 3.96Å; E65-W211 HydrophobicContact CB-CG 3.96Å; E65-W211 HydrophobicContact CB-CZ2 4.38Å; E65-W211 HydrophobicContact CG-CD2 4.42Å; E65-W211 HydrophobicContact CG-CZ2 4.04Å
66	E	85.9	Confident	90.4	Very high	51 Å²	51	65.4 Å²	65.4	24%	0.238	39%	0.385	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-29.3	-172.7	-54.8	-58	156.8	0	0	111.9	K31 V38 D42 E46 Y68 P84	K31-E66 VanDerWaalsContact CE-OE1 3.32Å; K31-E66 WeakPolarHBondContact CE-OE1 3.35Å; K31-E66 IonicContact NZ-OE1 2.81Å; K31-E66 PolarHBondContact NZ-OE1 2.94Å; K31-E66 IonicContact NZ-OE2 3.35Å; V38-E66 VanDerWaalsContact CG2-CD 3.5Å; V38-E66 HydrophobicContact CG2-CG 4.41Å; V38-E66 VanDerWaalsContact CG2-OE2 3.31Å; V38-E66 WeakPolarHBondContact CG2-OE2 3.42Å; D42-E66 HydrophobicContact CB-CG 4.31Å; E46-E66 WeakPolarHBondContact OE2-CA 3.5Å; E46-E66 VanDerWaalsContact OE2-CB 3.24Å; E46-E66 WeakPolarHBondContact OE2-CB 3.49Å; E46-E66 PolarHBondContact OE2-N 2.87Å; E66-Y68 VanDerWaalsContact C-N 3.26Å; E66-Y68 PolarHBondContact O-N 2.9Å; E66-P84 HydrophobicContact CG-CG 4.21Å
67	G	83.7	Confident	90.3	Very high	50 Å²	50	64.8 Å²	64.8	52%	0.515	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-4	173.9	0	0	0	0	0	113.9	E46 S69	E46-G67 VanDerWaalsContact OE1-CA 3.31Å; E46-G67 WeakPolarHBondContact OE1-CA 3.33Å; E46-G67 PolarHBondContact OE1-N 2.99Å; E46-G67 PolarHBondContact OE2-N 2.78Å; G67-S69 PolarHBondContact O-N 3.36Å
68	Y	83.3	Confident	90.3	Very high	101 Å²	101	64.9 Å²	64.9	40%	0.396	39%	0.385	S	S	.	.			trans	-72.2	111.7	-174.6	-176.4	-112.8	0	0	0	112	A64 E65 E66 G70 A72 W211	A64-Y68 WeakPolarHBondContact O-CB 3.41Å; A64-Y68 PolarHBondContact O-N 2.63Å; A64-Y68 VanDerWaalsContact O-N 3.07Å; E65-Y68 WeakPolarHBondContact O-CB 3.28Å; E65-Y68 PolarHBondContact O-N 3.5Å; E66-Y68 VanDerWaalsContact C-N 3.26Å; E66-Y68 PolarHBondContact O-N 2.9Å; Y68-G70 VanDerWaalsContact CE1-CA 3.41Å; Y68-G70 VanDerWaalsContact CZ-C 3.46Å; Y68-G70 VanDerWaalsContact CZ-CA 3.42Å; Y68-G70 VanDerWaalsContact OH-C 3.26Å; Y68-G70 PolarHBondContact OH-O 3.36Å; Y68-G70 VanDerWaalsContact OH-O 3.09Å; Y68-A72 HydrophobicContact CD2-CB 4.05Å; Y68-A72 HydrophobicContact CE2-CB 3.69Å; Y68-W211 AromaticContact CD1-CH2 3.77Å; Y68-W211 HydrophobicContact CD1-CH2 3.77Å; Y68-W211 HydrophobicContact CD1-CZ3 4.19Å; Y68-W211 HydrophobicContact CD2-CH2 4.48Å; Y68-W211 HydrophobicContact CD2-CZ3 4.06Å; Y68-W211 HydrophobicContact CE1-CH2 4.34Å; Y68-W211 AromaticContact CG-CH2 3.84Å; Y68-W211 HydrophobicContact CG-CH2 3.84Å; Y68-W211 AromaticContact CG-CZ3 3.83Å; Y68-W211 HydrophobicContact CG-CZ3 3.83Å
69	S	79.8	Confident	90.3	Very high	105 Å²	105	60.2 Å²	60.2	73%	0.734	36%	0.355	S	S	*	.			trans	-96.4	21.3	179.7	74.8	0	0	0	0	114	G67 N71	G67-S69 PolarHBondContact O-N 3.36Å; S69-N71 PolarHBondContact O-N 2.97Å
70	G	77.4	Confident	90.4	Very high	39 Å²	39	54.3 Å²	54.3	40%	0.402	32%	0.319	S	S	.	.	S	Bend	trans	87.9	-8.5	178.9	0	0	0	0	0	116.2	Y68	Y68-G70 VanDerWaalsContact CE1-CA 3.41Å; Y68-G70 VanDerWaalsContact CZ-C 3.46Å; Y68-G70 VanDerWaalsContact CZ-CA 3.42Å; Y68-G70 VanDerWaalsContact OH-C 3.26Å; Y68-G70 PolarHBondContact OH-O 3.36Å; Y68-G70 VanDerWaalsContact OH-O 3.09Å
71	N	76.8	Confident	90.5	Very high	151 Å²	151	53.5 Å²	53.5	81%	0.807	32%	0.315	S	S	*	.			trans	-134.5	91.9	-178.6	-71.6	-34	0	0	0	110.7	S69	S69-N71 PolarHBondContact O-N 2.97Å
72	A	84.2	Confident	90.7	Very high	47 Å²	47	49.2 Å²	49.2	39%	0.388	30%	0.297	S	S	.	.			trans	-132.4	128.2	167.7	0	0	0	0	0	109.8	I63 Y68	I63-A72 HydrophobicContact CD1-CB 4.07Å; I63-A72 HydrophobicContact CG1-CB 3.98Å; I63-A72 HydrophobicContact CG2-CB 4.08Å; Y68-A72 HydrophobicContact CD2-CB 4.05Å; Y68-A72 HydrophobicContact CE2-CB 3.69Å
73	E	88.5	Confident	90.8	Very high	145 Å²	145	47 Å²	47	68%	0.678	29%	0.285	S	S	*	.			trans	-113.6	126.3	175.4	-170.2	-172.7	166.8	0	0	109.5	T75	E73-T75 HydrophobicContact CB-CG2 4.49Å; E73-T75 HydrophobicContact CG-CG2 4.45Å; E73-T75 PolarHBondContact O-N 3.09Å; E73-T75 VanDerWaalsContact O-N 3.09Å
74	L	92.9	Very high	90.8	Very high	49 Å²	49	46.4 Å²	46.4	26%	0.257	28%	0.282	S	S	.	.			trans	-71.4	105	170.3	-175.9	63.7	0	0	0	109.2	T79 I81 Y105 K108	L74-T79 HydrophobicContact CD1-CG2 4.03Å; L74-I81 HydrophobicContact CD1-CD1 4.46Å; L74-Y105 HydrophobicContact CD1-CD1 4.32Å; L74-Y105 HydrophobicContact CD1-CG 4.42Å; L74-Y105 HydrophobicContact CD2-CD1 3.98Å; L74-Y105 HydrophobicContact CD2-CE1 4.26Å; L74-K108 HydrophobicContact CD2-CB 4.1Å; L74-K108 HydrophobicContact CD2-CG 4.48Å; L74-K108 HydrophobicContact CG-CB 4.31Å; L74-K108 HydrophobicContact CG-CG 4.2Å; L74-K108 WeakPolarHBondContact O-CE 3.42Å
75	T	93	Very high	90.9	Very high	26 Å²	26	46.1 Å²	46.1	16%	0.16	28%	0.28	C	S	.	.			trans	-96.8	-179.9	178.8	65.8	0	0	0	0	111.9	K61 E73 S77	K61-T75 VanDerWaalsContact NZ-CG2 3.33Å; K61-T75 PolarHBondContact NZ-OG1 2.89Å; E73-T75 HydrophobicContact CB-CG2 4.49Å; E73-T75 HydrophobicContact CG-CG2 4.45Å; E73-T75 PolarHBondContact O-N 3.09Å; E73-T75 VanDerWaalsContact O-N 3.09Å; T75-S77 PolarHBondContact O-N 2.74Å; T75-S77 PolarHBondContact OG1-N 3.23Å; T75-S77 PolarHBondContact OG1-OG 2.88Å
76	C	95	Very high	91.1	Very high	74 Å²	74	45.3 Å²	45.3	50%	0.5	28%	0.276	S	S	.	.	S	Bend	trans	-71.7	-14.2	173.1	-59.1	0	0	0	0	113.6	N107	C76-N107 PolarHBondContact O-N 2.94Å; C76-N107 PolarHBondContact O-OD1 2.9Å
77	S	95.7	Very high	91.6	Very high	50 Å²	50	43.2 Å²	43.2	35%	0.35	27%	0.269	S	S	.	.	S	Bend	trans	-65.7	150.2	178.6	-52	0	0	0	0	111.7	T75 T79	T75-S77 PolarHBondContact O-N 2.74Å; T75-S77 PolarHBondContact OG1-N 3.23Å; T75-S77 PolarHBondContact OG1-OG 2.88Å; S77-T79 PolarHBondContact O-N 3.45Å; S77-T79 VanDerWaalsContact O-N 3.1Å; S77-T79 PolarHBondContact O-OG1 2.88Å
78	P	97.3	Very high	92.1	Very high	39 Å²	39	41.5 Å²	41.5	25%	0.253	25%	0.248	S	C	.	.			trans	-49.5	117.8	168.9	-28.9	37	0	0	0	111.4	H60 K61 Y104 Y105	H60-P78 WeakPolarHBondContact CA-O 3.35Å; H60-P78 HydrophobicContact CB-CB 4.48Å; K61-P78 PolarHBondContact N-O 2.87Å; P78-Y104 HydrophobicContact CB-CE2 3.87Å; P78-Y105 CarbonylContact C-O 3.56Å; P78-Y105 WeakPolarHBondContact CA-O 3.45Å
79	T	97.6	Very high	92.5	Very high	1 Å²	1	38.9 Å²	38.9	1%	0.006	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	134.7	-172.8	-55.6	0	0	0	0	109.5	K61 I63 L74 S77 Y105	K61-T79 HydrophobicContact CB-CG2 4.05Å; K61-T79 CarbonylContact O-C 3.54Å; K61-T79 WeakPolarHBondContact O-CA 3.48Å; I63-T79 HydrophobicContact CD1-CG2 3.97Å; I63-T79 HydrophobicContact CG1-CG2 3.9Å; L74-T79 HydrophobicContact CD1-CG2 4.03Å; S77-T79 PolarHBondContact O-N 3.45Å; S77-T79 VanDerWaalsContact O-N 3.1Å; S77-T79 PolarHBondContact O-OG1 2.88Å; T79-Y105 PolarHBondContact N-O 3.42Å; T79-Y105 PolarHBondContact O-N 3.23Å
80	W	97.8	Very high	93.2	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	133.6	172.8	-59	89	0	0	0	109.6	A2 F6 V7 I53 F57 H60 K61 I62 I63 I82 I102 A103 Y104	A2-W80 HydrophobicContact CB-CH2 3.47Å; A2-W80 VanDerWaalsContact CB-CH2 3.47Å; A2-W80 HydrophobicContact CB-CZ2 3.64Å; F6-W80 HydrophobicContact CD1-CH2 4.03Å; F6-W80 AromaticContact CE1-CH2 3.98Å; F6-W80 HydrophobicContact CE1-CH2 3.98Å; F6-W80 HydrophobicContact CE1-CZ2 4.29Å; V7-W80 HydrophobicContact CG1-CZ3 4.41Å; V7-W80 HydrophobicContact CG2-CH2 3.84Å; V7-W80 HydrophobicContact CG2-CZ3 3.66Å; I53-W80 HydrophobicContact CD1-CB 4.13Å; I53-W80 HydrophobicContact CD1-CD2 3.84Å; I53-W80 HydrophobicContact CD1-CE3 4.03Å; I53-W80 HydrophobicContact CD1-CG 3.89Å; I53-W80 HydrophobicContact CG1-CD2 4.29Å; I53-W80 HydrophobicContact CG2-CD2 4.17Å; I53-W80 HydrophobicContact CG2-CG 3.91Å; F57-W80 AromaticContact CD2-CZ2 3.84Å; F57-W80 HydrophobicContact CD2-CZ2 3.84Å; F57-W80 AromaticContact CE2-CZ2 3.92Å; F57-W80 HydrophobicContact CE2-CZ2 3.92Å; H60-W80 AromaticContact CG-NE1 3.69Å; H60-W80 AromaticContact ND1-CD1 3.89Å; H60-W80 AromaticContact ND1-CE2 3.77Å; H60-W80 AromaticContact ND1-NE1 2.99Å; H60-W80 PolarHBondContact ND1-NE1 3.05Å; K61-W80 PolarHBondContact O-N 3.48Å; I62-W80 CarbonylContact C-O 3.58Å; I62-W80 WeakPolarHBondContact CA-O 3.49Å; I62-W80 HydrophobicContact CG1-CB 4.29Å; I63-W80 PolarHBondContact N-O 2.87Å; W80-I82 HydrophobicContact CB-CD1 4.18Å; W80-I82 HydrophobicContact CB-CG1 4.45Å; W80-I102 HydrophobicContact CE3-CG2 3.94Å; W80-I102 HydrophobicContact CZ3-CG2 4.16Å; W80-A103 CarbonylContact C-O 3.56Å; W80-A103 VanDerWaalsContact CA-O 3.26Å; W80-A103 WeakPolarHBondContact CA-O 3.36Å; W80-Y104 AromaticContact CD2-CD2 3.81Å; W80-Y104 HydrophobicContact CD2-CD2 3.81Å; W80-Y104 HydrophobicContact CD2-CG 4.49Å; W80-Y104 AromaticContact CE2-CD2 3.61Å; W80-Y104 HydrophobicContact CE3-CD2 4.09Å; W80-Y104 HydrophobicContact CE3-CG 4.33Å; W80-Y104 HydrophobicContact CG-CD2 4.43Å; W80-Y104 HydrophobicContact CH2-CD2 4.05Å; W80-Y104 HydrophobicContact CH2-CG 4.12Å; W80-Y104 AromaticContact CZ2-CD2 3.76Å; W80-Y104 HydrophobicContact CZ2-CD2 3.76Å; W80-Y104 HydrophobicContact CZ2-CE2 4.18Å; W80-Y104 HydrophobicContact CZ2-CG 4.28Å; W80-Y104 HydrophobicContact CZ3-CD2 4.21Å; W80-Y104 HydrophobicContact CZ3-CG 4.15Å
81	I	98	Very high	94	Very high	7 Å²	7	33.2 Å²	33.2	4%	0.036	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	122.8	173.7	-51.4	-179.3	0	0	0	107.4	I63 L74 A103 Y105 W211 A214	I63-I81 HydrophobicContact CB-CG1 4.37Å; I63-I81 CarbonylContact O-C 3.57Å; I63-I81 VanDerWaalsContact O-CA 3.26Å; I63-I81 WeakPolarHBondContact O-CA 3.34Å; L74-I81 HydrophobicContact CD1-CD1 4.46Å; I81-A103 HydrophobicContact CB-CB 4.38Å; I81-A103 PolarHBondContact N-O 3.45Å; I81-A103 PolarHBondContact O-N 3Å; I81-Y105 HydrophobicContact CD1-CD2 3.9Å; I81-Y105 HydrophobicContact CD1-CE1 4.5Å; I81-Y105 HydrophobicContact CD1-CE2 3.8Å; I81-Y105 HydrophobicContact CD1-CG 4.32Å; I81-Y105 HydrophobicContact CG1-CD2 4.18Å; I81-Y105 HydrophobicContact CG1-CE2 4.38Å; I81-W211 HydrophobicContact CG2-CB 4.09Å; I81-A214 HydrophobicContact CB-CB 3.84Å; I81-A214 HydrophobicContact CD1-CB 3.87Å; I81-A214 HydrophobicContact CG1-CB 4.43Å; I81-A214 HydrophobicContact CG2-CB 3.69Å
82	I	98.2	Very high	94.7	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	130.8	-167.4	-62	152.8	0	0	0	110	I49 I53 I62 I63 A64 E65 W80 S101 I102 W211	I49-I82 HydrophobicContact CD1-CG2 4.05Å; I49-I82 HydrophobicContact CG2-CD1 3.57Å; I49-I82 HydrophobicContact CG2-CG1 4.05Å; I49-I82 HydrophobicContact CG2-CG2 4.11Å; I53-I82 HydrophobicContact CD1-CD1 3.71Å; I62-I82 HydrophobicContact CG2-CD1 3.9Å; I63-I82 PolarHBondContact O-N 3.31Å; A64-I82 WeakPolarHBondContact CA-O 3.27Å; A64-I82 HydrophobicContact CB-CB 4.11Å; E65-I82 PolarHBondContact N-O 2.82Å; W80-I82 HydrophobicContact CB-CD1 4.18Å; W80-I82 HydrophobicContact CB-CG1 4.45Å; I82-S101 WeakPolarHBondContact CA-O 3.3Å; I82-I102 HydrophobicContact CG1-CG2 4.32Å; I82-W211 VanDerWaalsContact O-CB 3.31Å; I82-W211 WeakPolarHBondContact O-CB 3.24Å
83	D	97.8	Very high	95.1	Very high	2 Å²	2	30.3 Å²	30.3	1%	0.011	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	114.9	156.6	-175.2	-27.6	0	0	0	107.2	I85 D86 S101 W211	D83-I85 VanDerWaalsContact C-N 3.32Å; D83-I85 PolarHBondContact O-N 3.06Å; D83-I85 PolarHBondContact OD1-N 3.02Å; D83-D86 PolarHBondContact OD1-N 3.13Å; D83-D86 WeakPolarHBondContact OD2-CA 3.47Å; D83-D86 VanDerWaalsContact OD2-CB 3.23Å; D83-D86 WeakPolarHBondContact OD2-CB 3.23Å; D83-S101 PolarHBondContact N-O 3.09Å; D83-S101 PolarHBondContact O-N 2.88Å; D83-W211 HydrophobicContact CB-CB 4.06Å
84	P	97.1	Very high	95.3	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.7	-37.5	-179.5	27.7	-34.3	0	0	0	112.5	I18 D42 V45 E46 E66	I18-P84 WeakPolarHBondContact CD1-O 3.26Å; D42-P84 HydrophobicContact CB-CG 4.36Å; D42-P84 WeakPolarHBondContact O-CB 3.47Å; V45-P84 HydrophobicContact CB-CB 4Å; V45-P84 HydrophobicContact CG1-CB 3.74Å; V45-P84 WeakPolarHBondContact CG1-O 3.34Å; E46-P84 HydrophobicContact CB-CB 3.93Å; E46-P84 HydrophobicContact CB-CG 4.07Å; E66-P84 HydrophobicContact CG-CG 4.21Å
85	I	96.8	Very high	95.4	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	88.5	-179.9	-54.1	-173.1	0	0	0	109.3	I18 V41 D42 D83 G87 T88 F91 V98 C99	I18-I85 HydrophobicContact CD1-CG1 3.96Å; I18-I85 HydrophobicContact CG1-CD1 4.04Å; I18-I85 HydrophobicContact CG1-CG1 3.99Å; V41-I85 HydrophobicContact CB-CD1 4.11Å; V41-I85 HydrophobicContact CG1-CD1 3.83Å; D42-I85 HydrophobicContact CB-CD1 4.33Å; D42-I85 HydrophobicContact CB-CG1 4.48Å; D42-I85 WeakPolarHBondContact OD1-CB 3.22Å; D83-I85 VanDerWaalsContact C-N 3.32Å; D83-I85 PolarHBondContact O-N 3.06Å; D83-I85 PolarHBondContact OD1-N 3.02Å; I85-G87 PolarHBondContact O-N 2.88Å; I85-T88 PolarHBondContact O-N 2.85Å; I85-T88 PolarHBondContact O-OG1 3.05Å; I85-T88 VanDerWaalsContact O-OG1 3.13Å; I85-F91 HydrophobicContact CG2-CB 4.11Å; I85-F91 HydrophobicContact CG2-CG 4.33Å; I85-V98 HydrophobicContact CG2-CG1 3.4Å; I85-C99 CarbonylContact C-O 3.58Å; I85-C99 WeakPolarHBondContact CA-O 3.47Å
86	D	97.1	Very high	95.6	Very high	14 Å²	14	32 Å²	32	8%	0.075	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	128.8	167.6	-178.7	20.1	0	0	0	108.4	D83 V98 C99 S187 A188 A189	D83-D86 PolarHBondContact OD1-N 3.13Å; D83-D86 WeakPolarHBondContact OD2-CA 3.47Å; D83-D86 VanDerWaalsContact OD2-CB 3.23Å; D83-D86 WeakPolarHBondContact OD2-CB 3.23Å; D86-V98 WeakPolarHBondContact O-CA 3.02Å; D86-C99 PolarHBondContact N-O 3.16Å; D86-C99 PolarHBondContact O-N 2.71Å; D86-C99 VanDerWaalsContact O-N 3.13Å; D86-S187 VanDerWaalsContact CG-OG 3.28Å; D86-S187 WeakPolarHBondContact OD1-CA 3.43Å; D86-S187 WeakPolarHBondContact OD2-CA 3.47Å; D86-S187 VanDerWaalsContact OD2-CB 3.26Å; D86-S187 WeakPolarHBondContact OD2-CB 3.32Å; D86-S187 PolarHBondContact OD2-OG 3.39Å; D86-A188 PolarHBondContact OD2-N 3.47Å; D86-A189 HydrophobicContact CB-CB 4.42Å; D86-A189 WeakPolarHBondContact OD2-CB 3.48Å; D86-A189 PolarHBondContact OD2-N 2.9Å
87	G	95.5	Very high	95.8	Very high	7 Å²	7	30.4 Å²	30.4	7%	0.072	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	86.4	42	-170.8	0	0	0	0	0	114.3	I85 S89 N90 F91 G186	I85-G87 PolarHBondContact O-N 2.88Å; G87-S89 PolarHBondContact O-N 3.26Å; G87-N90 CarbonylContact O-C 3.59Å; G87-N90 WeakPolarHBondContact O-CA 3.41Å; G87-N90 WeakPolarHBondContact O-CB 3.26Å; G87-N90 PolarHBondContact O-N 2.92Å; G87-F91 PolarHBondContact O-N 2.86Å; G87-G186 WeakPolarHBondContact CA-O 3.26Å
88	T	93.6	Very high	95.8	Very high	14 Å²	14	28 Å²	28	9%	0.086	15%	0.153	C	C	.	.	H	α-helix	trans	-52.7	-38.1	174.8	-42.1	0	0	0	0	113	L37 T39 D42 I85 N90 F91 V92	L37-T88 HydrophobicContact CB-CG2 4.11Å; L37-T88 WeakPolarHBondContact O-CG2 3.48Å; T39-T88 HydrophobicContact CG2-CG2 4.12Å; D42-T88 WeakPolarHBondContact OD1-CG2 3.4Å; D42-T88 PolarHBondContact OD1-OG1 3.43Å; D42-T88 VanDerWaalsContact OD1-OG1 3.11Å; I85-T88 PolarHBondContact O-N 2.85Å; I85-T88 PolarHBondContact O-OG1 3.05Å; I85-T88 VanDerWaalsContact O-OG1 3.13Å; T88-N90 VanDerWaalsContact C-N 3.28Å; T88-N90 PolarHBondContact O-N 3.12Å; T88-F91 WeakPolarHBondContact O-CB 3.44Å; T88-F91 PolarHBondContact O-N 3.27Å; T88-F91 VanDerWaalsContact O-N 3.14Å; T88-V92 WeakPolarHBondContact O-CG2 3.02Å; T88-V92 PolarHBondContact O-N 2.94Å
89	S	92.5	Very high	95.9	Very high	47 Å²	47	26.1 Å²	26.1	33%	0.329	14%	0.141	S	C	.	.	H	α-helix	trans	-60.3	-37.8	173.3	-80.5	0	0	0	0	112.8	A35 G87 S93	A35-S89 PolarHBondContact O-OG 3.35Å; G87-S89 PolarHBondContact O-N 3.26Å; S89-S93 WeakPolarHBondContact O-CB 3.45Å; S89-S93 PolarHBondContact O-N 3.11Å; S89-S93 VanDerWaalsContact O-N 3.09Å; S89-S93 PolarHBondContact O-OG 3.43Å
90	N	95.1	Very high	96	Very high	18 Å²	18	26.1 Å²	26.1	10%	0.096	14%	0.14	C	C	.	.	H	α-helix	trans	-69.8	-40	174.7	-66.7	-20.3	0	0	0	111.1	G87 T88 S93 R94 F95 F97 V98 M185 G186	G87-N90 CarbonylContact O-C 3.59Å; G87-N90 WeakPolarHBondContact O-CA 3.41Å; G87-N90 WeakPolarHBondContact O-CB 3.26Å; G87-N90 PolarHBondContact O-N 2.92Å; T88-N90 VanDerWaalsContact C-N 3.28Å; T88-N90 PolarHBondContact O-N 3.12Å; N90-S93 CarbonylContact O-C 3.59Å; N90-S93 PolarHBondContact O-N 2.83Å; N90-R94 CarbonylContact O-C 3.59Å; N90-R94 WeakPolarHBondContact O-CA 3.41Å; N90-R94 PolarHBondContact O-N 2.78Å; N90-F95 HydrophobicContact CB-CB 3.93Å; N90-F95 HydrophobicContact CB-CD1 4.32Å; N90-F95 WeakPolarHBondContact CB-O 3.17Å; N90-F95 PolarHBondContact O-N 2.89Å; N90-F95 WeakPolarHBondContact OD1-CD1 3.1Å; N90-F97 PolarHBondContact ND2-O 2.7Å; N90-V98 HydrophobicContact CB-CG2 3.69Å; N90-M185 PolarHBondContact ND2-O 3.01Å; N90-G186 WeakPolarHBondContact ND2-CA 3.46Å; N90-G186 PolarHBondContact ND2-O 3.5Å
91	F	94.4	Very high	96	Very high	7 Å²	7	26.1 Å²	26.1	3%	0.031	14%	0.14	C	C	.	.	H	α-helix	trans	-59.2	-49.3	176.3	-178.8	-102.5	0	0	0	111.5	I18 F22 I26 T39 V41 I85 G87 T88 S93 R94 V98	I18-F91 HydrophobicContact CG2-CD2 4Å; I18-F91 HydrophobicContact CG2-CE2 3.87Å; I18-F91 WeakPolarHBondContact O-CE2 3.44Å; F22-F91 HydrophobicContact CB-CD2 4.34Å; F22-F91 HydrophobicContact CB-CE2 3.93Å; F22-F91 AromaticContact CD2-CD2 3.84Å; F22-F91 HydrophobicContact CD2-CD2 3.84Å; F22-F91 HydrophobicContact CD2-CE2 4.28Å; I26-F91 HydrophobicContact CD1-CE1 4.13Å; I26-F91 HydrophobicContact CD1-CZ 4.05Å; T39-F91 HydrophobicContact CG2-CD1 3.95Å; T39-F91 HydrophobicContact CG2-CE1 4.12Å; V41-F91 HydrophobicContact CB-CE1 4.03Å; V41-F91 HydrophobicContact CB-CZ 3.95Å; V41-F91 HydrophobicContact CG1-CE1 4.48Å; V41-F91 HydrophobicContact CG1-CZ 3.94Å; V41-F91 HydrophobicContact CG2-CE1 4Å; V41-F91 HydrophobicContact CG2-CZ 3.87Å; I85-F91 HydrophobicContact CG2-CB 4.11Å; I85-F91 HydrophobicContact CG2-CG 4.33Å; G87-F91 PolarHBondContact O-N 2.86Å; T88-F91 WeakPolarHBondContact O-CB 3.44Å; T88-F91 PolarHBondContact O-N 3.27Å; T88-F91 VanDerWaalsContact O-N 3.14Å; F91-S93 VanDerWaalsContact C-N 3.33Å; F91-S93 PolarHBondContact O-N 3.44Å; F91-R94 PolarHBondContact O-N 3.24Å; F91-V98 HydrophobicContact CB-CG1 4.18Å; F91-V98 HydrophobicContact CB-CG2 3.97Å; F91-V98 HydrophobicContact CD2-CG1 4.2Å
92	V	91.6	Very high	96	Very high	43 Å²	43	25.8 Å²	25.8	26%	0.261	14%	0.139	S	C	.	.	H	α-helix	trans	-60.5	-41.7	176.1	171.8	0	0	0	0	111.8	Y28 L37 T39 T88 R94	Y28-V92 HydrophobicContact CD1-CB 4.49Å; Y28-V92 HydrophobicContact CD1-CG1 3.48Å; Y28-V92 VanDerWaalsContact CD1-CG1 3.48Å; Y28-V92 HydrophobicContact CD1-CG2 4.12Å; Y28-V92 HydrophobicContact CE1-CG1 3.69Å; Y28-V92 HydrophobicContact CG-CG1 4.15Å; Y28-V92 HydrophobicContact CG-CG2 4.07Å; L37-V92 HydrophobicContact CD1-CB 4.28Å; L37-V92 HydrophobicContact CD1-CG1 4.36Å; L37-V92 HydrophobicContact CD1-CG2 4Å; T39-V92 HydrophobicContact CG2-CG2 3.86Å; T88-V92 WeakPolarHBondContact O-CG2 3.02Å; T88-V92 PolarHBondContact O-N 2.94Å; V92-R94 VanDerWaalsContact C-N 3.35Å
93	S	91.6	Very high	96	Very high	93 Å²	93	25.8 Å²	25.8	65%	0.65	14%	0.139	S	C	*	.	H	α-helix	trans	-87.6	-0.9	-176.9	-52.3	0	0	0	0	114.1	S89 N90 F91 F95	S89-S93 WeakPolarHBondContact O-CB 3.45Å; S89-S93 PolarHBondContact O-N 3.11Å; S89-S93 VanDerWaalsContact O-N 3.09Å; S89-S93 PolarHBondContact O-OG 3.43Å; N90-S93 CarbonylContact O-C 3.59Å; N90-S93 PolarHBondContact O-N 2.83Å; F91-S93 VanDerWaalsContact C-N 3.33Å; F91-S93 PolarHBondContact O-N 3.44Å; S93-F95 PolarHBondContact O-N 2.92Å
94	R	92.4	Very high	96.1	Very high	129 Å²	129	26 Å²	26	49%	0.487	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.3	32.3	-173.4	-52.1	179.4	178.9	169.4	-0.6	114.4	F22 S23 K24 N90 F91 V92	F22-R94 HydrophobicContact CE1-CB 4.19Å; F22-R94 HydrophobicContact CE2-CB 4.38Å; F22-R94 VanDerWaalsContact CZ-CA 3.45Å; F22-R94 HydrophobicContact CZ-CB 3.97Å; F22-R94 WeakPolarHBondContact CZ-O 3.24Å; S23-R94 PolarHBondContact O-NH2 2.94Å; K24-R94 PolarHBondContact O-NH2 3.01Å; N90-R94 CarbonylContact O-C 3.59Å; N90-R94 WeakPolarHBondContact O-CA 3.41Å; N90-R94 PolarHBondContact O-N 2.78Å; F91-R94 PolarHBondContact O-N 3.24Å; V92-R94 VanDerWaalsContact C-N 3.35Å
95	F	95.7	Very high	96.1	Very high	90 Å²	90	26.9 Å²	26.9	40%	0.395	14%	0.143	S	C	.	.			trans	-80.9	129.4	168	-168.6	-124.4	0	0	0	108.5	N90 S93 F97 V98	N90-F95 HydrophobicContact CB-CB 3.93Å; N90-F95 HydrophobicContact CB-CD1 4.32Å; N90-F95 WeakPolarHBondContact CB-O 3.17Å; N90-F95 PolarHBondContact O-N 2.89Å; N90-F95 WeakPolarHBondContact OD1-CD1 3.1Å; S93-F95 PolarHBondContact O-N 2.92Å; F95-F97 HydrophobicContact CD1-CB 4.26Å; F95-F97 AromaticContact CD1-CD2 3.77Å; F95-F97 HydrophobicContact CD1-CD2 3.77Å; F95-F97 HydrophobicContact CD1-CG 4.49Å; F95-F97 HydrophobicContact CE1-CB 4.27Å; F95-F97 AromaticContact CE1-CD2 3.27Å; F95-F97 HydrophobicContact CE1-CD2 3.27Å; F95-F97 AromaticContact CE1-CE2 3.91Å; F95-F97 HydrophobicContact CE1-CE2 3.91Å; F95-F97 HydrophobicContact CE1-CG 4.11Å; F95-F97 HydrophobicContact CE2-CD2 4.11Å; F95-F97 HydrophobicContact CE2-CE2 4.17Å; F95-F97 HydrophobicContact CG-CD2 4.4Å; F95-F97 AromaticContact CZ-CD2 3.45Å; F95-F97 HydrophobicContact CZ-CD2 3.45Å; F95-F97 VanDerWaalsContact CZ-CD2 3.45Å; F95-F97 AromaticContact CZ-CE2 3.59Å; F95-F97 HydrophobicContact CZ-CE2 3.59Å; F95-F97 PolarHBondContact O-N 3.27Å; F95-V98 WeakPolarHBondContact O-CG2 3.36Å
96	P	96.9	Very high	96.2	Very high	38 Å²	38	28 Å²	28	25%	0.247	15%	0.15	C	C	.	.	S	Bend	trans	-77.2	4	-161.5	31.7	-37.7	0	0	0	115.1	V98 N117 I119 L120	P96-V98 VanDerWaalsContact C-N 3.32Å; P96-V98 PolarHBondContact O-N 3.49Å; P96-N117 PolarHBondContact O-ND2 3.3Å; P96-N117 PolarHBondContact O-OD1 2.87Å; P96-I119 HydrophobicContact CB-CB 4.29Å; P96-I119 HydrophobicContact CB-CG2 3.68Å; P96-L120 HydrophobicContact CB-CD2 3.99Å; P96-L120 HydrophobicContact CB-CG 4.19Å; P96-L120 HydrophobicContact CG-CD2 4.4Å
97	F	98.1	Very high	96.1	Very high	39 Å²	39	32.6 Å²	32.6	17%	0.171	17%	0.174	C	C	.	.			trans	-89.9	70.6	178.2	-66.1	-89.6	0	0	0	110.1	N90 F95 L120 W122 M185 L190	N90-F97 PolarHBondContact ND2-O 2.7Å; F95-F97 HydrophobicContact CD1-CB 4.26Å; F95-F97 AromaticContact CD1-CD2 3.77Å; F95-F97 HydrophobicContact CD1-CD2 3.77Å; F95-F97 HydrophobicContact CD1-CG 4.49Å; F95-F97 HydrophobicContact CE1-CB 4.27Å; F95-F97 AromaticContact CE1-CD2 3.27Å; F95-F97 HydrophobicContact CE1-CD2 3.27Å; F95-F97 AromaticContact CE1-CE2 3.91Å; F95-F97 HydrophobicContact CE1-CE2 3.91Å; F95-F97 HydrophobicContact CE1-CG 4.11Å; F95-F97 HydrophobicContact CE2-CD2 4.11Å; F95-F97 HydrophobicContact CE2-CE2 4.17Å; F95-F97 HydrophobicContact CG-CD2 4.4Å; F95-F97 AromaticContact CZ-CD2 3.45Å; F95-F97 HydrophobicContact CZ-CD2 3.45Å; F95-F97 VanDerWaalsContact CZ-CD2 3.45Å; F95-F97 AromaticContact CZ-CE2 3.59Å; F95-F97 HydrophobicContact CZ-CE2 3.59Å; F95-F97 PolarHBondContact O-N 3.27Å; F97-L120 HydrophobicContact CD1-CD1 4.34Å; F97-L120 HydrophobicContact CE1-CD1 4.21Å; F97-W122 HydrophobicContact CD1-CZ3 4.36Å; F97-W122 HydrophobicContact CE1-CH2 4.13Å; F97-W122 AromaticContact CE1-CZ3 3.96Å; F97-W122 HydrophobicContact CE1-CZ3 3.96Å; F97-M185 HydrophobicContact CB-CB 4.3Å; F97-M185 VanDerWaalsContact CB-O 3.24Å; F97-M185 WeakPolarHBondContact CB-O 3.4Å; F97-M185 HydrophobicContact CD1-CB 4.03Å; F97-M185 HydrophobicContact CD1-CG 4.14Å; F97-M185 HydrophobicContact CD1-SD 4.12Å; F97-M185 HydrophobicContact CE1-CG 4.23Å; F97-M185 HydrophobicContact CE1-SD 4.07Å; F97-M185 HydrophobicContact CG-CB 4.16Å; F97-L190 HydrophobicContact CB-CD1 3.97Å; F97-L190 HydrophobicContact CD1-CD1 4.35Å
98	V	97.6	Very high	96.2	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.192	C	C	.	.			trans	-127.3	136.9	179.3	180	0	0	0	0	108	I18 F22 I85 D86 N90 F91 F95 P96 N117 P118	I18-V98 HydrophobicContact CG2-CG1 3.96Å; F22-V98 HydrophobicContact CD2-CG2 4.5Å; F22-V98 HydrophobicContact CE2-CG2 4.08Å; I85-V98 HydrophobicContact CG2-CG1 3.4Å; D86-V98 WeakPolarHBondContact O-CA 3.02Å; N90-V98 HydrophobicContact CB-CG2 3.69Å; F91-V98 HydrophobicContact CB-CG1 4.18Å; F91-V98 HydrophobicContact CB-CG2 3.97Å; F91-V98 HydrophobicContact CD2-CG1 4.2Å; F95-V98 WeakPolarHBondContact O-CG2 3.36Å; P96-V98 VanDerWaalsContact C-N 3.32Å; P96-V98 PolarHBondContact O-N 3.49Å; V98-N117 PolarHBondContact N-ND2 3.04Å; V98-N117 VanDerWaalsContact O-CA 3.32Å; V98-N117 WeakPolarHBondContact O-CA 3.4Å; V98-N117 WeakPolarHBondContact O-CB 3.23Å; V98-N117 PolarHBondContact O-ND2 3.38Å; V98-N117 PolarHBondContact O-OD1 3.26Å; V98-P118 WeakPolarHBondContact O-CD 3.42Å
99	C	98.6	Very high	96.3	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	159.4	177.1	62.5	0	0	0	0	113.8	I85 D86 V115 Y116 N117 L190	I85-C99 CarbonylContact C-O 3.58Å; I85-C99 WeakPolarHBondContact CA-O 3.47Å; D86-C99 PolarHBondContact N-O 3.16Å; D86-C99 PolarHBondContact O-N 2.71Å; D86-C99 VanDerWaalsContact O-N 3.13Å; C99-V115 HydrophobicContact CB-CG1 3.94Å; C99-Y116 CarbonylContact C-O 3.57Å; C99-Y116 WeakPolarHBondContact CA-O 3.36Å; C99-Y116 WeakPolarHBondContact CB-O 3.45Å; C99-N117 HydrophobicContact CB-CB 4.27Å; C99-L190 HydrophobicContact CB-CD1 4.24Å; C99-L190 HydrophobicContact CB-CD2 4.03Å; C99-L190 HydrophobicContact CB-CG 4.09Å
100	V	98.6	Very high	96.6	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	135.8	161.2	58	0	0	0	0	108.8	A11 A14 I18 I49 I102 V115 Y116	A11-V100 HydrophobicContact CB-CG1 4.03Å; A14-V100 HydrophobicContact CB-CG1 4.43Å; A14-V100 HydrophobicContact CB-CG2 4.22Å; I18-V100 HydrophobicContact CD1-CB 4Å; I49-V100 HydrophobicContact CD1-CG2 3.62Å; V100-I102 HydrophobicContact CG2-CD1 4.04Å; V100-I102 HydrophobicContact CG2-CG1 3.97Å; V100-V115 WeakPolarHBondContact O-CA 3.46Å; V100-Y116 HydrophobicContact CG1-CD1 4.35Å; V100-Y116 PolarHBondContact N-O 3.44Å; V100-Y116 PolarHBondContact O-N 3.43Å
101	S	98.7	Very high	96.7	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	122	178.8	-177.5	0	0	0	0	109.4	I82 D83 A215	I82-S101 WeakPolarHBondContact CA-O 3.3Å; D83-S101 PolarHBondContact N-O 3.09Å; D83-S101 PolarHBondContact O-N 2.88Å; S101-A215 VanDerWaalsContact OG-CB 3.22Å; S101-A215 WeakPolarHBondContact OG-CB 3.4Å
102	I	98.7	Very high	96.9	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	121.8	-179.9	-56.2	167.7	0	0	0	108.8	V7 L10 A11 I49 W80 I82 V100 A113 V114	V7-I102 HydrophobicContact CG1-CB 3.99Å; V7-I102 HydrophobicContact CG1-CG2 3.7Å; L10-I102 HydrophobicContact CD2-CD1 4.23Å; L10-I102 HydrophobicContact CG-CD1 4.12Å; A11-I102 HydrophobicContact CB-CD1 4.11Å; I49-I102 HydrophobicContact CD1-CD1 4.15Å; I49-I102 HydrophobicContact CD1-CG1 4.46Å; I49-I102 HydrophobicContact CG1-CD1 4.47Å; I49-I102 HydrophobicContact CG2-CD1 4.23Å; W80-I102 HydrophobicContact CE3-CG2 3.94Å; W80-I102 HydrophobicContact CZ3-CG2 4.16Å; I82-I102 HydrophobicContact CG1-CG2 4.32Å; V100-I102 HydrophobicContact CG2-CD1 4.04Å; V100-I102 HydrophobicContact CG2-CG1 3.97Å; I102-A113 CarbonylContact O-C 3.54Å; I102-A113 WeakPolarHBondContact O-CA 3.32Å; I102-V114 PolarHBondContact N-O 2.9Å; I102-V114 PolarHBondContact O-N 3.47Å
103	A	98.6	Very high	97.3	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	139.4	175.7	0	0	0	0	0	111.2	W80 I81 Y105 A214 A215	W80-A103 CarbonylContact C-O 3.56Å; W80-A103 VanDerWaalsContact CA-O 3.26Å; W80-A103 WeakPolarHBondContact CA-O 3.36Å; I81-A103 HydrophobicContact CB-CB 4.38Å; I81-A103 PolarHBondContact N-O 3.45Å; I81-A103 PolarHBondContact O-N 3Å; A103-Y105 HydrophobicContact CB-CD2 3.98Å; A103-Y105 HydrophobicContact CB-CE2 3.59Å; A103-A214 HydrophobicContact CB-CB 3.98Å; A103-A215 HydrophobicContact CB-CB 3.94Å
104	Y	98.4	Very high	97.6	Very high	6 Å²	6	33.9 Å²	33.9	2%	0.024	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	118.8	173.6	177.6	-124.9	0	0	0	109.7	A2 H60 P78 W80 V106 E111 L112	A2-Y104 HydrophobicContact CB-CD1 4.17Å; A2-Y104 HydrophobicContact CB-CE1 4.12Å; A2-Y104 HydrophobicContact CB-CG 4.44Å; H60-Y104 AromaticContact CE1-CE2 3.65Å; H60-Y104 AromaticContact CE1-CZ 3.95Å; H60-Y104 AromaticContact ND1-CE2 3.65Å; P78-Y104 HydrophobicContact CB-CE2 3.87Å; W80-Y104 AromaticContact CD2-CD2 3.81Å; W80-Y104 HydrophobicContact CD2-CD2 3.81Å; W80-Y104 HydrophobicContact CD2-CG 4.49Å; W80-Y104 AromaticContact CE2-CD2 3.61Å; W80-Y104 HydrophobicContact CE3-CD2 4.09Å; W80-Y104 HydrophobicContact CE3-CG 4.33Å; W80-Y104 HydrophobicContact CG-CD2 4.43Å; W80-Y104 HydrophobicContact CH2-CD2 4.05Å; W80-Y104 HydrophobicContact CH2-CG 4.12Å; W80-Y104 AromaticContact CZ2-CD2 3.76Å; W80-Y104 HydrophobicContact CZ2-CD2 3.76Å; W80-Y104 HydrophobicContact CZ2-CE2 4.18Å; W80-Y104 HydrophobicContact CZ2-CG 4.28Å; W80-Y104 HydrophobicContact CZ3-CD2 4.21Å; W80-Y104 HydrophobicContact CZ3-CG 4.15Å; Y104-V106 HydrophobicContact CD1-CG2 4.36Å; Y104-V106 HydrophobicContact CE1-CG2 3.57Å; Y104-V106 HydrophobicContact CE2-CG2 4.09Å; Y104-V106 VanDerWaalsContact CZ-CG2 3.41Å; Y104-V106 WeakPolarHBondContact OH-CG2 3.38Å; Y104-E111 HydrophobicContact CD1-CB 4Å; Y104-E111 HydrophobicContact CE1-CB 4.41Å; Y104-E111 PolarHBondContact O-N 2.95Å; Y104-L112 HydrophobicContact CD1-CB 4.47Å; Y104-L112 HydrophobicContact CD1-CD1 4.03Å; Y104-L112 HydrophobicContact CD1-CG 4.23Å; Y104-L112 PolarHBondContact N-O 3.02Å; Y104-L112 PolarHBondContact O-N 3.44Å
105	Y	98.2	Very high	97.9	Very high	20 Å²	20	27.7 Å²	27.7	8%	0.078	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	141	-179.3	-80.2	-116.3	0	0	0	111.1	L74 P78 T79 I81 A103 E109 P110 A214	L74-Y105 HydrophobicContact CD1-CD1 4.32Å; L74-Y105 HydrophobicContact CD1-CG 4.42Å; L74-Y105 HydrophobicContact CD2-CD1 3.98Å; L74-Y105 HydrophobicContact CD2-CE1 4.26Å; P78-Y105 CarbonylContact C-O 3.56Å; P78-Y105 WeakPolarHBondContact CA-O 3.45Å; T79-Y105 PolarHBondContact N-O 3.42Å; T79-Y105 PolarHBondContact O-N 3.23Å; I81-Y105 HydrophobicContact CD1-CD2 3.9Å; I81-Y105 HydrophobicContact CD1-CE1 4.5Å; I81-Y105 HydrophobicContact CD1-CE2 3.8Å; I81-Y105 HydrophobicContact CD1-CG 4.32Å; I81-Y105 HydrophobicContact CG1-CD2 4.18Å; I81-Y105 HydrophobicContact CG1-CE2 4.38Å; A103-Y105 HydrophobicContact CB-CD2 3.98Å; A103-Y105 HydrophobicContact CB-CE2 3.59Å; Y105-E109 CarbonylContact C-O 3.13Å; Y105-E109 VanDerWaalsContact CA-O 3.22Å; Y105-E109 WeakPolarHBondContact CA-O 3.28Å; Y105-E109 VanDerWaalsContact CD1-C 3.48Å; Y105-P110 HydrophobicContact CD1-CB 4.34Å; Y105-P110 HydrophobicContact CD2-CB 4.2Å; Y105-P110 HydrophobicContact CE1-CB 3.93Å; Y105-P110 HydrophobicContact CE1-CG 4.19Å; Y105-P110 HydrophobicContact CE2-CB 3.74Å; Y105-P110 HydrophobicContact CG-CB 4.47Å; Y105-A214 HydrophobicContact CE2-CB 3.89Å; Y105-A214 PolarHBondContact OH-O 2.91Å
106	V	97.5	Very high	98.1	Very high	24 Å²	24	24.5 Å²	24.5	15%	0.145	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	135.4	170.2	-177.5	0	0	0	0	107.7	Y104 K108 E109 E111	Y104-V106 HydrophobicContact CD1-CG2 4.36Å; Y104-V106 HydrophobicContact CE1-CG2 3.57Å; Y104-V106 HydrophobicContact CE2-CG2 4.09Å; Y104-V106 VanDerWaalsContact CZ-CG2 3.41Å; Y104-V106 WeakPolarHBondContact OH-CG2 3.38Å; V106-K108 PolarHBondContact O-N 3.43Å; V106-E109 PolarHBondContact N-O 3.43Å; V106-E109 PolarHBondContact O-N 3.35Å; V106-E111 HydrophobicContact CB-CG 3.91Å; V106-E111 HydrophobicContact CG2-CG 3.94Å
107	N	96.5	Very high	98.1	Very high	110 Å²	110	22.7 Å²	22.7	59%	0.588	11%	0.108	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.6	37.3	-178.1	-61.9	-40.2	0	0	0	113.6	C76 E109	C76-N107 PolarHBondContact O-N 2.94Å; C76-N107 PolarHBondContact O-OD1 2.9Å; N107-E109 PolarHBondContact O-N 3.05Å
108	K	96.1	Very high	98.1	Very high	104 Å²	104	20.9 Å²	20.9	45%	0.452	10%	0.1	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.7	10.5	-176.4	-49.3	-176.9	177.2	-164.9	0	115.4	L74 V106	L74-K108 HydrophobicContact CD2-CB 4.1Å; L74-K108 HydrophobicContact CD2-CG 4.48Å; L74-K108 HydrophobicContact CG-CB 4.31Å; L74-K108 HydrophobicContact CG-CG 4.2Å; L74-K108 WeakPolarHBondContact O-CE 3.42Å; V106-K108 PolarHBondContact O-N 3.43Å
109	E	97.2	Very high	98.2	Very high	73 Å²	73	23 Å²	23	34%	0.341	11%	0.111	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	140.7	175.5	-69.3	-65.9	152.1	0	0	110.7	Y105 V106 N107 R128	Y105-E109 CarbonylContact C-O 3.13Å; Y105-E109 VanDerWaalsContact CA-O 3.22Å; Y105-E109 WeakPolarHBondContact CA-O 3.28Å; Y105-E109 VanDerWaalsContact CD1-C 3.48Å; V106-E109 PolarHBondContact N-O 3.43Å; V106-E109 PolarHBondContact O-N 3.35Å; N107-E109 PolarHBondContact O-N 3.05Å; E109-R128 IonicContact OE2-NH2 3.58Å
110	P	97.5	Very high	98.1	Very high	5 Å²	5	25.7 Å²	25.7	3%	0.032	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	128.4	174.9	29.6	-32.1	0	0	0	110.7	Y105 L218	Y105-P110 HydrophobicContact CD1-CB 4.34Å; Y105-P110 HydrophobicContact CD2-CB 4.2Å; Y105-P110 HydrophobicContact CE1-CB 3.93Å; Y105-P110 HydrophobicContact CE1-CG 4.19Å; Y105-P110 HydrophobicContact CE2-CB 3.74Å; Y105-P110 HydrophobicContact CG-CB 4.47Å; P110-L218 HydrophobicContact CB-CB 3.87Å; P110-L218 HydrophobicContact CB-CD1 4.3Å; P110-L218 HydrophobicContact CB-CD2 4.17Å; P110-L218 HydrophobicContact CB-CG 4.33Å; P110-L218 HydrophobicContact CG-CB 4.09Å; P110-L218 HydrophobicContact CG-CD1 4.15Å
111	E	98.2	Very high	98.1	Very high	58 Å²	58	29.7 Å²	29.7	27%	0.271	14%	0.142	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	-42.7	-179.3	-69	-61.1	142.2	0	0	112.2	Y104 V106 R128	Y104-E111 HydrophobicContact CD1-CB 4Å; Y104-E111 HydrophobicContact CE1-CB 4.41Å; Y104-E111 PolarHBondContact O-N 2.95Å; V106-E111 HydrophobicContact CB-CG 3.91Å; V106-E111 HydrophobicContact CG2-CG 3.94Å; E111-R128 PolarHBondContact O-N 3.26Å; E111-R128 VanDerWaalsContact OE1-CD 3.23Å; E111-R128 WeakPolarHBondContact OE1-CD 3.28Å; E111-R128 IonicContact OE1-CZ 3.68Å; E111-R128 IonicContact OE1-NE 3.88Å; E111-R128 IonicContact OE1-NH1 2.71Å; E111-R128 PolarHBondContact OE1-NH1 2.93Å
112	L	98.5	Very high	98.1	Very high	15 Å²	15	33 Å²	33	8%	0.079	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	143.8	178.8	-54.7	169.8	0	0	0	109.5	A2 I4 V7 Y104 I127	A2-L112 HydrophobicContact CB-CD1 4.19Å; A2-L112 WeakPolarHBondContact O-CD1 3.45Å; I4-L112 HydrophobicContact CB-CD2 4.29Å; I4-L112 HydrophobicContact CD1-CB 4.38Å; I4-L112 HydrophobicContact CD1-CD2 4.33Å; V7-L112 HydrophobicContact CG2-CB 4.49Å; V7-L112 HydrophobicContact CG2-CD1 4.33Å; Y104-L112 HydrophobicContact CD1-CB 4.47Å; Y104-L112 HydrophobicContact CD1-CD1 4.03Å; Y104-L112 HydrophobicContact CD1-CG 4.23Å; Y104-L112 PolarHBondContact N-O 3.02Å; Y104-L112 PolarHBondContact O-N 3.44Å; L112-I127 HydrophobicContact CD2-CB 4.31Å; L112-I127 HydrophobicContact CD2-CG1 4.1Å; L112-I127 HydrophobicContact CD2-CG2 3.84Å
113	A	98.7	Very high	98.1	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	143.6	176.7	0	0	0	0	0	111.1	I102 H125 G126 A215 L218 I219	I102-A113 CarbonylContact O-C 3.54Å; I102-A113 WeakPolarHBondContact O-CA 3.32Å; A113-H125 CarbonylContact O-C 3.57Å; A113-H125 WeakPolarHBondContact O-CA 3.32Å; A113-H125 WeakPolarHBondContact O-CB 3.36Å; A113-G126 PolarHBondContact N-O 2.94Å; A113-G126 PolarHBondContact O-N 2.87Å; A113-A215 HydrophobicContact CB-CB 3.94Å; A113-A215 WeakPolarHBondContact CB-O 3.43Å; A113-L218 HydrophobicContact CB-CB 3.94Å; A113-L218 HydrophobicContact CB-CD2 3.81Å; A113-L218 HydrophobicContact CB-CG 4.32Å; A113-I219 HydrophobicContact CB-CD1 4.35Å; A113-I219 HydrophobicContact CB-CG1 4.09Å
114	V	98.9	Very high	98.1	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	132	170.4	177.9	0	0	0	0	108.9	I4 V7 A11 I102 L123 F124 H125	I4-V114 HydrophobicContact CD1-CG2 3.95Å; V7-V114 HydrophobicContact CB-CG2 3.91Å; V7-V114 HydrophobicContact CG1-CB 3.94Å; V7-V114 HydrophobicContact CG1-CG2 3.58Å; A11-V114 HydrophobicContact CB-CB 4.3Å; A11-V114 HydrophobicContact CB-CG1 3.51Å; I102-V114 PolarHBondContact N-O 2.9Å; I102-V114 PolarHBondContact O-N 3.47Å; V114-L123 HydrophobicContact CG1-CD2 4.44Å; V114-L123 HydrophobicContact CG1-CG 4.41Å; V114-F124 CarbonylContact C-O 3.59Å; V114-F124 WeakPolarHBondContact CA-O 3.31Å; V114-H125 HydrophobicContact CG2-CB 3.96Å
115	V	98.9	Very high	98.1	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	114.7	166.2	176.3	0	0	0	0	106.8	C99 V100 F124 A189 L190 A215 A216 I219	C99-V115 HydrophobicContact CB-CG1 3.94Å; V100-V115 WeakPolarHBondContact O-CA 3.46Å; V115-F124 HydrophobicContact CB-CB 4.31Å; V115-F124 PolarHBondContact N-O 2.92Å; V115-F124 PolarHBondContact O-N 2.9Å; V115-A189 HydrophobicContact CG1-CB 3.99Å; V115-A189 HydrophobicContact CG2-CB 4.18Å; V115-L190 HydrophobicContact CG1-CD2 4.09Å; V115-A215 HydrophobicContact CG2-CB 3.73Å; V115-A216 HydrophobicContact CG2-CB 4.46Å; V115-I219 HydrophobicContact CB-CD1 4.16Å; V115-I219 HydrophobicContact CG2-CD1 3.79Å
116	Y	98.9	Very high	98.2	Very high	23 Å²	23	33.7 Å²	33.7	9%	0.09	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	116.6	-175.7	177.9	-126.1	0	0	0	111.4	A11 V12 C99 V100 P118 W122 L123	A11-Y116 WeakPolarHBondContact O-CD1 3.43Å; V12-Y116 HydrophobicContact CG2-CE1 4.31Å; C99-Y116 CarbonylContact C-O 3.57Å; C99-Y116 WeakPolarHBondContact CA-O 3.36Å; C99-Y116 WeakPolarHBondContact CB-O 3.45Å; V100-Y116 HydrophobicContact CG1-CD1 4.35Å; V100-Y116 PolarHBondContact N-O 3.44Å; V100-Y116 PolarHBondContact O-N 3.43Å; Y116-P118 HydrophobicContact CD1-CB 4.32Å; Y116-P118 HydrophobicContact CE1-CB 3.75Å; Y116-P118 VanDerWaalsContact O-CD 3.29Å; Y116-P118 WeakPolarHBondContact O-CD 3.38Å; Y116-W122 WeakPolarHBondContact CA-O 3.27Å; Y116-W122 WeakPolarHBondContact CD2-O 3.26Å; Y116-L123 HydrophobicContact CD2-CB 3.75Å; Y116-L123 HydrophobicContact CD2-CD1 4.28Å; Y116-L123 HydrophobicContact CD2-CG 4.11Å; Y116-L123 HydrophobicContact CE2-CB 4.25Å
117	N	98.7	Very high	98.2	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	108.1	168.1	-177.7	-41.6	0	0	0	109.5	P96 V98 C99 I119 L120 K121 W122 L190	P96-N117 PolarHBondContact O-ND2 3.3Å; P96-N117 PolarHBondContact O-OD1 2.87Å; V98-N117 PolarHBondContact N-ND2 3.04Å; V98-N117 VanDerWaalsContact O-CA 3.32Å; V98-N117 WeakPolarHBondContact O-CA 3.4Å; V98-N117 WeakPolarHBondContact O-CB 3.23Å; V98-N117 PolarHBondContact O-ND2 3.38Å; V98-N117 PolarHBondContact O-OD1 3.26Å; C99-N117 HydrophobicContact CB-CB 4.27Å; N117-I119 VanDerWaalsContact C-N 3.31Å; N117-I119 PolarHBondContact O-N 3.12Å; N117-I119 WeakPolarHBondContact OD1-CA 3.44Å; N117-I119 PolarHBondContact OD1-N 3.45Å; N117-L120 PolarHBondContact OD1-N 3.2Å; N117-K121 VanDerWaalsContact O-CA 3.23Å; N117-K121 WeakPolarHBondContact O-CA 3.41Å; N117-K121 PolarHBondContact O-N 2.86Å; N117-W122 HydrophobicContact CB-CB 4.27Å; N117-W122 PolarHBondContact N-O 3.36Å; N117-W122 PolarHBondContact O-N 3.49Å; N117-W122 VanDerWaalsContact O-N 3.12Å; N117-L190 HydrophobicContact CB-CD1 4.48Å; N117-L190 HydrophobicContact CB-CD2 4.13Å
118	P	98	Very high	98.3	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-14.1	-177	31.8	-35.5	0	0	0	113.8	G15 I18 E19 V98 Y116 K121	G15-P118 WeakPolarHBondContact O-CB 3.44Å; I18-P118 HydrophobicContact CB-CG 3.91Å; I18-P118 HydrophobicContact CD1-CG 4.5Å; I18-P118 HydrophobicContact CG2-CG 3.75Å; E19-P118 HydrophobicContact CB-CB 4.41Å; V98-P118 WeakPolarHBondContact O-CD 3.42Å; Y116-P118 HydrophobicContact CD1-CB 4.32Å; Y116-P118 HydrophobicContact CE1-CB 3.75Å; Y116-P118 VanDerWaalsContact O-CD 3.29Å; Y116-P118 WeakPolarHBondContact O-CD 3.38Å; P118-K121 VanDerWaalsContact O-CD 3.26Å; P118-K121 WeakPolarHBondContact O-CD 3.31Å; P118-K121 WeakPolarHBondContact O-CE 3.44Å; P118-K121 PolarHBondContact O-NZ 3.44Å
119	I	97.8	Very high	98.4	Very high	45 Å²	45	33.9 Å²	33.9	23%	0.231	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.3	-45.3	-179.3	-50	-51.7	0	0	0	110.1	E19 F22 P96 N117	E19-I119 HydrophobicContact CB-CD1 4.46Å; F22-I119 HydrophobicContact CB-CD1 3.76Å; F22-I119 HydrophobicContact CD1-CD1 3.61Å; F22-I119 HydrophobicContact CD1-CG1 4.13Å; F22-I119 HydrophobicContact CD1-CG2 4.39Å; F22-I119 HydrophobicContact CD2-CD1 4Å; F22-I119 HydrophobicContact CD2-CG1 4.11Å; F22-I119 HydrophobicContact CE1-CD1 4.13Å; F22-I119 HydrophobicContact CE1-CG1 4.17Å; F22-I119 HydrophobicContact CE1-CG2 3.89Å; F22-I119 HydrophobicContact CE2-CD1 4.47Å; F22-I119 HydrophobicContact CE2-CG1 4.13Å; F22-I119 HydrophobicContact CG-CD1 3.53Å; F22-I119 HydrophobicContact CG-CG1 4.09Å; F22-I119 HydrophobicContact CZ-CG1 4.14Å; F22-I119 HydrophobicContact CZ-CG2 4.19Å; P96-I119 HydrophobicContact CB-CB 4.29Å; P96-I119 HydrophobicContact CB-CG2 3.68Å; N117-I119 VanDerWaalsContact C-N 3.31Å; N117-I119 PolarHBondContact O-N 3.12Å; N117-I119 WeakPolarHBondContact OD1-CA 3.44Å; N117-I119 PolarHBondContact OD1-N 3.45Å
120	L	98.1	Very high	98.4	Very high	56 Å²	56	36.6 Å²	36.6	29%	0.293	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.6	-6.9	178.4	-59.1	178.1	0	0	0	113.1	P96 F97 N117 W122	P96-L120 HydrophobicContact CB-CD2 3.99Å; P96-L120 HydrophobicContact CB-CG 4.19Å; P96-L120 HydrophobicContact CG-CD2 4.4Å; F97-L120 HydrophobicContact CD1-CD1 4.34Å; F97-L120 HydrophobicContact CE1-CD1 4.21Å; N117-L120 PolarHBondContact OD1-N 3.2Å; L120-W122 VanDerWaalsContact C-N 3.31Å; L120-W122 HydrophobicContact CB-CD2 3.82Å; L120-W122 HydrophobicContact CB-CE3 4.23Å; L120-W122 HydrophobicContact CB-CG 4.1Å; L120-W122 HydrophobicContact CB-CZ2 4.29Å; L120-W122 HydrophobicContact CD1-CD2 4.17Å; L120-W122 HydrophobicContact CD1-CE3 3.82Å; L120-W122 HydrophobicContact CD1-CH2 3.49Å; L120-W122 VanDerWaalsContact CD1-CH2 3.49Å; L120-W122 HydrophobicContact CD1-CZ2 3.83Å; L120-W122 HydrophobicContact CD1-CZ3 3.47Å; L120-W122 VanDerWaalsContact CD1-CZ3 3.47Å; L120-W122 PolarHBondContact O-N 3.03Å
121	K	98.3	Very high	98.5	Very high	84 Å²	84	36.6 Å²	36.6	37%	0.365	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.5	46.2	-176.7	-50	-61.1	179.3	-165.1	0	111.7	E19 N117 P118 N135	E19-K121 IonicContact OE1-NZ 3.42Å; E19-K121 PolarHBondContact OE1-NZ 2.99Å; E19-K121 IonicContact OE2-NZ 2.76Å; E19-K121 PolarHBondContact OE2-NZ 2.98Å; N117-K121 VanDerWaalsContact O-CA 3.23Å; N117-K121 WeakPolarHBondContact O-CA 3.41Å; N117-K121 PolarHBondContact O-N 2.86Å; P118-K121 VanDerWaalsContact O-CD 3.26Å; P118-K121 WeakPolarHBondContact O-CD 3.31Å; P118-K121 WeakPolarHBondContact O-CE 3.44Å; P118-K121 PolarHBondContact O-NZ 3.44Å; K121-N135 PolarHBondContact O-ND2 2.52Å; K121-N135 PolarHBondContact O-OD1 3.07Å
122	W	98.7	Very high	98.5	Very high	70 Å²	70	33.9 Å²	33.9	27%	0.265	16%	0.16	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	107.5	173.1	-62.7	-18.3	0	0	0	109.1	F97 Y116 N117 L120 F124 L134	F97-W122 HydrophobicContact CD1-CZ3 4.36Å; F97-W122 HydrophobicContact CE1-CH2 4.13Å; F97-W122 AromaticContact CE1-CZ3 3.96Å; F97-W122 HydrophobicContact CE1-CZ3 3.96Å; Y116-W122 WeakPolarHBondContact CA-O 3.27Å; Y116-W122 WeakPolarHBondContact CD2-O 3.26Å; N117-W122 HydrophobicContact CB-CB 4.27Å; N117-W122 PolarHBondContact N-O 3.36Å; N117-W122 PolarHBondContact O-N 3.49Å; N117-W122 VanDerWaalsContact O-N 3.12Å; L120-W122 VanDerWaalsContact C-N 3.31Å; L120-W122 HydrophobicContact CB-CD2 3.82Å; L120-W122 HydrophobicContact CB-CE3 4.23Å; L120-W122 HydrophobicContact CB-CG 4.1Å; L120-W122 HydrophobicContact CB-CZ2 4.29Å; L120-W122 HydrophobicContact CD1-CD2 4.17Å; L120-W122 HydrophobicContact CD1-CE3 3.82Å; L120-W122 HydrophobicContact CD1-CH2 3.49Å; L120-W122 VanDerWaalsContact CD1-CH2 3.49Å; L120-W122 HydrophobicContact CD1-CZ2 3.83Å; L120-W122 HydrophobicContact CD1-CZ3 3.47Å; L120-W122 VanDerWaalsContact CD1-CZ3 3.47Å; L120-W122 PolarHBondContact O-N 3.03Å; W122-F124 HydrophobicContact CB-CD2 4.16Å; W122-F124 HydrophobicContact CB-CE2 3.65Å; W122-F124 HydrophobicContact CB-CZ 4.44Å; W122-F124 HydrophobicContact CE3-CE2 4.24Å; W122-F124 HydrophobicContact CG-CE2 4.33Å; W122-L134 HydrophobicContact CB-CD1 3.83Å; W122-L134 HydrophobicContact CG-CD1 4.28Å
123	L	98.8	Very high	98.5	Very high	24 Å²	24	35.2 Å²	35.2	13%	0.126	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	99.8	172.9	-167	155.8	0	0	0	108.2	V12 V114 Y116 H125 L134 N135	V12-L123 HydrophobicContact CG2-CD1 3.76Å; V114-L123 HydrophobicContact CG1-CD2 4.44Å; V114-L123 HydrophobicContact CG1-CG 4.41Å; Y116-L123 HydrophobicContact CD2-CB 3.75Å; Y116-L123 HydrophobicContact CD2-CD1 4.28Å; Y116-L123 HydrophobicContact CD2-CG 4.11Å; Y116-L123 HydrophobicContact CE2-CB 4.25Å; L123-H125 HydrophobicContact CD2-CB 4.12Å; L123-L134 WeakPolarHBondContact O-CA 3.39Å; L123-N135 PolarHBondContact N-OD1 2.95Å; L123-N135 PolarHBondContact O-N 2.82Å
124	F	98.9	Very high	98.5	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	135.9	169.1	-63.8	-89.7	0	0	0	109.1	V114 V115 W122 F133 L134 I139 L190 C193 A197 I219	V114-F124 CarbonylContact C-O 3.59Å; V114-F124 WeakPolarHBondContact CA-O 3.31Å; V115-F124 HydrophobicContact CB-CB 4.31Å; V115-F124 PolarHBondContact N-O 2.92Å; V115-F124 PolarHBondContact O-N 2.9Å; W122-F124 HydrophobicContact CB-CD2 4.16Å; W122-F124 HydrophobicContact CB-CE2 3.65Å; W122-F124 HydrophobicContact CB-CZ 4.44Å; W122-F124 HydrophobicContact CE3-CE2 4.24Å; W122-F124 HydrophobicContact CG-CE2 4.33Å; F124-F133 CarbonylContact C-O 3.49Å; F124-F133 VanDerWaalsContact CA-O 3.28Å; F124-F133 WeakPolarHBondContact CA-O 3.26Å; F124-L134 HydrophobicContact CD1-CB 4Å; F124-L134 HydrophobicContact CD1-CD1 4.01Å; F124-L134 HydrophobicContact CD1-CG 4.43Å; F124-L134 HydrophobicContact CD2-CD1 4.13Å; F124-L134 HydrophobicContact CE1-CB 3.92Å; F124-L134 HydrophobicContact CE1-CD1 3.77Å; F124-L134 HydrophobicContact CE1-CD2 3.86Å; F124-L134 HydrophobicContact CE1-CG 4.05Å; F124-L134 HydrophobicContact CE2-CD1 3.91Å; F124-L134 HydrophobicContact CG-CD1 4.18Å; F124-L134 HydrophobicContact CZ-CD1 3.72Å; F124-L134 HydrophobicContact CZ-CD2 3.96Å; F124-L134 HydrophobicContact CZ-CG 4.32Å; F124-I139 HydrophobicContact CD1-CD1 3.91Å; F124-I139 HydrophobicContact CE1-CD1 4.2Å; F124-L190 HydrophobicContact CE2-CD2 4.47Å; F124-C193 HydrophobicContact CB-CB 4.34Å; F124-C193 HydrophobicContact CD1-CB 3.78Å; F124-C193 HydrophobicContact CD2-CB 3.7Å; F124-C193 HydrophobicContact CE1-CB 3.89Å; F124-C193 HydrophobicContact CE2-CB 3.81Å; F124-C193 HydrophobicContact CG-CB 3.68Å; F124-C193 HydrophobicContact CZ-CB 3.9Å; F124-A197 HydrophobicContact CE1-CB 4.18Å; F124-I219 HydrophobicContact CB-CD1 3.97Å; F124-I219 HydrophobicContact CB-CG2 4.45Å
125	H	98.8	Very high	98.5	Very high	16 Å²	16	40.5 Å²	40.5	7%	0.074	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	151	171.8	71.3	100.6	0	0	0	112.1	I4 A113 V114 L123 A132 F133 D136	I4-H125 HydrophobicContact CD1-CB 4.11Å; I4-H125 HydrophobicContact CG1-CB 4.48Å; A113-H125 CarbonylContact O-C 3.57Å; A113-H125 WeakPolarHBondContact O-CA 3.32Å; A113-H125 WeakPolarHBondContact O-CB 3.36Å; V114-H125 HydrophobicContact CG2-CB 3.96Å; L123-H125 HydrophobicContact CD2-CB 4.12Å; H125-A132 CarbonylContact O-C 3.46Å; H125-A132 WeakPolarHBondContact O-CA 3.34Å; H125-F133 AromaticContact CE1-CD2 3.47Å; H125-F133 VanDerWaalsContact CE1-CD2 3.47Å; H125-F133 WeakPolarHBondContact CE1-CD2 3.16Å; H125-F133 AromaticContact CE1-CG 3.69Å; H125-F133 PolarHBondContact N-O 3.21Å; H125-F133 AromaticContact ND1-CD2 3.89Å; H125-F133 WeakPolarHBondContact NE2-CB 3.47Å; H125-F133 AromaticContact NE2-CD2 3.96Å; H125-F133 AromaticContact NE2-CG 3.72Å; H125-F133 PolarHBondContact O-N 2.91Å; H125-D136 IonicContact NE2-OD1 2.64Å
126	G	98.6	Very high	98.4	Very high	0 Å²	0	47 Å²	47	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	140.2	179.7	0	0	0	0	0	109.9	A113	A113-G126 PolarHBondContact N-O 2.94Å; A113-G126 PolarHBondContact O-N 2.87Å
127	I	98.5	Very high	98.4	Very high	22 Å²	22	53.5 Å²	53.5	11%	0.113	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	126	175.9	-54.8	168.8	0	0	0	106.3	I4 L112 N129 Q130 G131 E222	I4-I127 HydrophobicContact CB-CD1 3.92Å; I4-I127 HydrophobicContact CB-CG1 4.09Å; I4-I127 HydrophobicContact CD1-CG1 4.07Å; I4-I127 HydrophobicContact CG1-CD1 3.96Å; I4-I127 HydrophobicContact CG1-CG1 3.89Å; I4-I127 HydrophobicContact CG2-CD1 3.87Å; L112-I127 HydrophobicContact CD2-CB 4.31Å; L112-I127 HydrophobicContact CD2-CG1 4.1Å; L112-I127 HydrophobicContact CD2-CG2 3.84Å; I127-N129 PolarHBondContact O-N 3.45Å; I127-Q130 HydrophobicContact CB-CB 3.78Å; I127-Q130 HydrophobicContact CG2-CB 3.74Å; I127-Q130 HydrophobicContact CG2-CG 4.07Å; I127-Q130 PolarHBondContact O-N 3.5Å; I127-G131 PolarHBondContact N-O 3.07Å; I127-G131 VanDerWaalsContact N-O 3.17Å; I127-G131 PolarHBondContact O-N 3.47Å; I127-E222 VanDerWaalsContact O-CD 3.23Å; I127-E222 VanDerWaalsContact O-OE2 3.1Å
128	R	98.3	Very high	98.4	Very high	79 Å²	79	59 Å²	59	30%	0.298	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.7	129.4	-176.6	-167.2	-175.5	-175.7	170.6	10.1	111.6	E109 E111 Q130 L218 E222	E109-R128 IonicContact OE2-NH2 3.58Å; E111-R128 PolarHBondContact O-N 3.26Å; E111-R128 VanDerWaalsContact OE1-CD 3.23Å; E111-R128 WeakPolarHBondContact OE1-CD 3.28Å; E111-R128 IonicContact OE1-CZ 3.68Å; E111-R128 IonicContact OE1-NE 3.88Å; E111-R128 IonicContact OE1-NH1 2.71Å; E111-R128 PolarHBondContact OE1-NH1 2.93Å; R128-Q130 PolarHBondContact O-N 2.99Å; R128-L218 HydrophobicContact CB-CD1 4.24Å; R128-E222 WeakPolarHBondContact CA-OE1 3.43Å
129	N	98.1	Very high	98.4	Very high	141 Å²	141	59.9 Å²	59.9	75%	0.754	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.9	18.9	-175.9	-50.7	-58.9	0	0	0	115.2	I127 E222	I127-N129 PolarHBondContact O-N 3.45Å; N129-E222 WeakPolarHBondContact CA-OE2 3.29Å; N129-E222 PolarHBondContact N-OE1 2.94Å; N129-E222 PolarHBondContact N-OE2 2.93Å; N129-E222 VanDerWaalsContact N-OE2 3.09Å
130	Q	98.2	Very high	98.5	Very high	130 Å²	130	62.7 Å²	62.7	61%	0.607	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-131.4	0.9	-176.7	-73.8	-179	69.5	0	0	112.8	I127 R128 F133 E222	I127-Q130 HydrophobicContact CB-CB 3.78Å; I127-Q130 HydrophobicContact CG2-CB 3.74Å; I127-Q130 HydrophobicContact CG2-CG 4.07Å; I127-Q130 PolarHBondContact O-N 3.5Å; R128-Q130 PolarHBondContact O-N 2.99Å; Q130-F133 WeakPolarHBondContact O-CE2 3.28Å; Q130-E222 PolarHBondContact N-OE2 3.32Å; Q130-E222 VanDerWaalsContact N-OE2 3.12Å
131	G	98.5	Very high	98.5	Very high	6 Å²	6	60.8 Å²	60.8	6%	0.062	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	95.1	175.4	174.3	0	0	0	0	0	114.3	I127 E222	I127-G131 PolarHBondContact N-O 3.07Å; I127-G131 VanDerWaalsContact N-O 3.17Å; I127-G131 PolarHBondContact O-N 3.47Å; G131-E222 VanDerWaalsContact C-CB 3.47Å; G131-E222 PolarHBondContact N-OE2 3.44Å
132	A	98.8	Very high	98.5	Very high	0 Å²	0	58.8 Å²	58.8	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	148.9	178.2	0	0	0	0	0	110.3	H125 Q138 I139 I219 E222 A223	H125-A132 CarbonylContact O-C 3.46Å; H125-A132 WeakPolarHBondContact O-CA 3.34Å; A132-Q138 WeakPolarHBondContact O-CA 3.31Å; A132-I139 HydrophobicContact CB-CD1 4.27Å; A132-I139 HydrophobicContact CB-CG1 3.88Å; A132-I139 WeakPolarHBondContact O-CG1 3.33Å; A132-I139 PolarHBondContact O-N 3.36Å; A132-I219 HydrophobicContact CB-CG2 4.08Å; A132-I219 VanDerWaalsContact CB-O 3.24Å; A132-I219 WeakPolarHBondContact CB-O 3.39Å; A132-E222 HydrophobicContact CB-CB 4.01Å; A132-A223 HydrophobicContact CB-CB 3.95Å
133	F	98.8	Very high	98.4	Very high	43 Å²	43	62.8 Å²	62.8	19%	0.189	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	148.3	-172.1	-55.8	-97.6	0	0	0	110.8	F124 H125 Q130 K137 Q138	F124-F133 CarbonylContact C-O 3.49Å; F124-F133 VanDerWaalsContact CA-O 3.28Å; F124-F133 WeakPolarHBondContact CA-O 3.26Å; H125-F133 AromaticContact CE1-CD2 3.47Å; H125-F133 VanDerWaalsContact CE1-CD2 3.47Å; H125-F133 WeakPolarHBondContact CE1-CD2 3.16Å; H125-F133 AromaticContact CE1-CG 3.69Å; H125-F133 PolarHBondContact N-O 3.21Å; H125-F133 AromaticContact ND1-CD2 3.89Å; H125-F133 WeakPolarHBondContact NE2-CB 3.47Å; H125-F133 AromaticContact NE2-CD2 3.96Å; H125-F133 AromaticContact NE2-CG 3.72Å; H125-F133 PolarHBondContact O-N 2.91Å; Q130-F133 WeakPolarHBondContact O-CE2 3.28Å; F133-K137 CarbonylContact C-O 3.56Å; F133-K137 WeakPolarHBondContact CA-O 3.23Å; F133-Q138 HydrophobicContact CD1-CB 3.95Å; F133-Q138 HydrophobicContact CD1-CG 4.47Å; F133-Q138 HydrophobicContact CE1-CB 3.85Å; F133-Q138 HydrophobicContact CE1-CG 4.16Å
134	L	98.8	Very high	98.3	Very high	36 Å²	36	64.9 Å²	64.9	19%	0.188	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	116.9	167.4	169.2	58.3	0	0	0	108.2	W122 L123 F124 D136 K137 I139	W122-L134 HydrophobicContact CB-CD1 3.83Å; W122-L134 HydrophobicContact CG-CD1 4.28Å; L123-L134 WeakPolarHBondContact O-CA 3.39Å; F124-L134 HydrophobicContact CD1-CB 4Å; F124-L134 HydrophobicContact CD1-CD1 4.01Å; F124-L134 HydrophobicContact CD1-CG 4.43Å; F124-L134 HydrophobicContact CD2-CD1 4.13Å; F124-L134 HydrophobicContact CE1-CB 3.92Å; F124-L134 HydrophobicContact CE1-CD1 3.77Å; F124-L134 HydrophobicContact CE1-CD2 3.86Å; F124-L134 HydrophobicContact CE1-CG 4.05Å; F124-L134 HydrophobicContact CE2-CD1 3.91Å; F124-L134 HydrophobicContact CG-CD1 4.18Å; F124-L134 HydrophobicContact CZ-CD1 3.72Å; F124-L134 HydrophobicContact CZ-CD2 3.96Å; F124-L134 HydrophobicContact CZ-CG 4.32Å; L134-D136 VanDerWaalsContact C-N 3.29Å; L134-D136 PolarHBondContact O-N 2.81Å; L134-K137 PolarHBondContact N-O 3.35Å; L134-K137 WeakPolarHBondContact O-CB 3.47Å; L134-K137 PolarHBondContact O-N 3.32Å; L134-I139 HydrophobicContact CB-CD1 4.4Å; L134-I139 HydrophobicContact CB-CG2 3.79Å
135	N	98.3	Very high	98.1	Very high	75 Å²	75	74.1 Å²	74.1	40%	0.401	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.3	53.3	-177.3	-64.5	-16	0	0	0	111.3	K121 L123 K137	K121-N135 PolarHBondContact O-ND2 2.52Å; K121-N135 PolarHBondContact O-OD1 3.07Å; L123-N135 PolarHBondContact N-OD1 2.95Å; L123-N135 PolarHBondContact O-N 2.82Å; N135-K137 PolarHBondContact O-N 3.4Å
136	D	96.7	Very high	98.1	Very high	137 Å²	137	77.5 Å²	77.5	73%	0.733	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.6	2.8	-179.1	-50.5	-52	0	0	0	116	H125 L134	H125-D136 IonicContact NE2-OD1 2.64Å; L134-D136 VanDerWaalsContact C-N 3.29Å; L134-D136 PolarHBondContact O-N 2.81Å
137	K	98.5	Very high	98	Very high	160 Å²	160	80.6 Å²	80.6	70%	0.696	39%	0.394	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.7	126.5	173.3	-65.6	179.9	-179.4	178.1	0	110	F133 L134 N135 I139	F133-K137 CarbonylContact C-O 3.56Å; F133-K137 WeakPolarHBondContact CA-O 3.23Å; L134-K137 PolarHBondContact N-O 3.35Å; L134-K137 WeakPolarHBondContact O-CB 3.47Å; L134-K137 PolarHBondContact O-N 3.32Å; N135-K137 PolarHBondContact O-N 3.4Å; K137-I139 PolarHBondContact O-N 3.08Å
138	Q	98.6	Very high	97.9	Very high	115 Å²	115	82 Å²	82	54%	0.537	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.9	137.8	177	-167.4	170.8	14.9	0	0	110.8	A132 F133	A132-Q138 WeakPolarHBondContact O-CA 3.31Å; F133-Q138 HydrophobicContact CD1-CB 3.95Å; F133-Q138 HydrophobicContact CD1-CG 4.47Å; F133-Q138 HydrophobicContact CE1-CB 3.85Å; F133-Q138 HydrophobicContact CE1-CG 4.16Å
139	I	98.8	Very high	97.9	Very high	19 Å²	19	82.7 Å²	82.7	10%	0.097	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	156	-179.6	58.2	176.5	0	0	0	111.1	F124 A132 L134 K137 A196 A197	F124-I139 HydrophobicContact CD1-CD1 3.91Å; F124-I139 HydrophobicContact CE1-CD1 4.2Å; A132-I139 HydrophobicContact CB-CD1 4.27Å; A132-I139 HydrophobicContact CB-CG1 3.88Å; A132-I139 WeakPolarHBondContact O-CG1 3.33Å; A132-I139 PolarHBondContact O-N 3.36Å; L134-I139 HydrophobicContact CB-CD1 4.4Å; L134-I139 HydrophobicContact CB-CG2 3.79Å; K137-I139 PolarHBondContact O-N 3.08Å; I139-A196 HydrophobicContact CD1-CB 4.04Å; I139-A197 HydrophobicContact CD1-CB 4.37Å
140	H	98.8	Very high	97.9	Very high	103 Å²	103	76 Å²	76	48%	0.477	38%	0.378	S	S	.	.			trans	-139.9	147.5	177.2	-63.8	-66.7	0	0	0	110.3	A196 A197 G198 A223	H140-A196 CarbonylContact C-O 3.54Å; H140-A197 CarbonylContact O-C 3.55Å; H140-G198 PolarHBondContact O-N 3.07Å; H140-A223 WeakPolarHBondContact CA-O 3.34Å
141	T	98.6	Very high	97.9	Very high	16 Å²	16	71.8 Å²	71.8	10%	0.098	36%	0.359	C	S	.	.			trans	-62.5	151.9	170.9	55.3	0	0	0	0	111.4	I195 A196 A223 G224	T141-I195 HydrophobicContact CG2-CG2 4.47Å; T141-A196 PolarHBondContact N-O 3.48Å; T141-A223 HydrophobicContact CG2-CB 3.97Å; T141-A223 PolarHBondContact N-O 3.3Å; T141-A223 PolarHBondContact OG1-O 3.15Å; T141-G224 PolarHBondContact OG1-O 2.85Å
142	S	98.1	Very high	97.9	Very high	43 Å²	43	71.5 Å²	71.5	30%	0.301	36%	0.356	S	S	.	.			trans	-53.9	146.9	168.5	175.1	0	0	0	0	111	L144 D201	S142-L144 WeakPolarHBondContact OG-CB 3.46Å; S142-L144 PolarHBondContact OG-N 3.2Å; S142-D201 WeakPolarHBondContact CB-OD1 3.41Å; S142-D201 PolarHBondContact OG-OD1 3.47Å
143	K	97.3	Very high	97.9	Very high	154 Å²	154	71.5 Å²	71.5	67%	0.67	36%	0.356	S	S	*	.			trans	-98.4	12.6	174	-56.8	-55.2	178.1	-160.7	0	112.7
144	L	96.8	Very high	97.8	Very high	68 Å²	68	69.7 Å²	69.7	36%	0.356	35%	0.348	S	S	.	.			trans	-63.4	133.7	179.6	-178.3	153.5	0	0	0	110.6	S142 D146 Q149 A150 D201	S142-L144 WeakPolarHBondContact OG-CB 3.46Å; S142-L144 PolarHBondContact OG-N 3.2Å; L144-D146 WeakPolarHBondContact CD2-O 3.38Å; L144-Q149 HydrophobicContact CD1-CB 3.64Å; L144-Q149 HydrophobicContact CG-CB 4.28Å; L144-A150 HydrophobicContact CD2-CB 3.83Å; L144-D201 WeakPolarHBondContact CB-OD1 3.35Å; L144-D201 HydrophobicContact CD2-CB 4.36Å
145	Q	95.3	Very high	97.7	Very high	194 Å²	194	69.2 Å²	69.2	91%	0.907	35%	0.346	S	S	*	.			trans	-116.6	-22.8	179.6	-64.7	-176.2	-17.8	0	0	112.7	L147	Q145-L147 PolarHBondContact O-N 2.76Å
146	D	97.1	Very high	97.5	Very high	87 Å²	87	70 Å²	70	47%	0.465	34%	0.343	S	S	.	.			trans	-87.5	109.6	-179.3	178	10.9	0	0	0	110.9	L144 S148 Q149	L144-D146 WeakPolarHBondContact CD2-O 3.38Å; D146-S148 PolarHBondContact O-N 3.29Å; D146-S148 WeakPolarHBondContact OD1-CB 3.4Å; D146-S148 PolarHBondContact OD1-N 3.44Å; D146-S148 PolarHBondContact OD1-OG 2.75Å; D146-S148 PolarHBondContact OD2-OG 2.87Å; D146-Q149 HydrophobicContact CB-CG 4.39Å; D146-Q149 PolarHBondContact O-N 3.46Å
147	L	96.2	Very high	97.2	Very high	64 Å²	64	64.5 Å²	64.5	34%	0.335	32%	0.319	S	S	.	.	G	3₁₀ helix	trans	-51.2	-33.4	177.1	-176.4	62.8	0	0	0	112.6	Q145 Q149 A150 K178 A179 I202	Q145-L147 PolarHBondContact O-N 2.76Å; L147-Q149 PolarHBondContact O-N 3.29Å; L147-Q149 VanDerWaalsContact O-N 3.07Å; L147-A150 HydrophobicContact CD1-CB 4.09Å; L147-A150 VanDerWaalsContact O-CB 3.27Å; L147-A150 WeakPolarHBondContact O-CB 3.45Å; L147-A150 PolarHBondContact O-N 2.99Å; L147-K178 CarbonylContact C-O 3.54Å; L147-K178 HydrophobicContact CD2-CB 3.74Å; L147-K178 HydrophobicContact CD2-CD 4.39Å; L147-K178 HydrophobicContact CG-CB 4.32Å; L147-A179 HydrophobicContact CD1-CB 4.19Å; L147-A179 HydrophobicContact CG-CB 4.39Å; L147-A179 VanDerWaalsContact O-CA 3.3Å; L147-A179 WeakPolarHBondContact O-CA 3.42Å; L147-I202 HydrophobicContact CD1-CD1 3.59Å
148	S	97.9	Very high	96.6	Very high	51 Å²	51	58.2 Å²	58.2	36%	0.357	30%	0.3	S	S	.	.	G	3₁₀ helix	trans	-60.4	-21.8	179.4	89.5	0	0	0	0	113.9	D146 K178 R180	D146-S148 PolarHBondContact O-N 3.29Å; D146-S148 WeakPolarHBondContact OD1-CB 3.4Å; D146-S148 PolarHBondContact OD1-N 3.44Å; D146-S148 PolarHBondContact OD1-OG 2.75Å; D146-S148 PolarHBondContact OD2-OG 2.87Å; S148-K178 WeakPolarHBondContact CA-O 3.41Å; S148-K178 PolarHBondContact N-O 2.97Å; S148-R180 WeakPolarHBondContact O-CB 3.19Å; S148-R180 PolarHBondContact O-N 3.04Å
149	Q	97.9	Very high	96.2	Very high	95 Å²	95	56.4 Å²	56.4	44%	0.444	29%	0.294	S	S	.	.	G	3₁₀ helix	trans	-99.7	-11.6	178.2	-57.9	-52.4	-53.2	0	0	112.9	L144 D146 L147 R180	L144-Q149 HydrophobicContact CD1-CB 3.64Å; L144-Q149 HydrophobicContact CG-CB 4.28Å; D146-Q149 HydrophobicContact CB-CG 4.39Å; D146-Q149 PolarHBondContact O-N 3.46Å; L147-Q149 PolarHBondContact O-N 3.29Å; L147-Q149 VanDerWaalsContact O-N 3.07Å; Q149-R180 WeakPolarHBondContact O-CD 3.35Å
150	A	98.2	Very high	95.9	Very high	1 Å²	1	58.9 Å²	58.9	1%	0.008	30%	0.302	C	S	.	.	P	Polyproline II helix	trans	-71	137.9	-172.1	0	0	0	0	0	112.7	L144 L147 R180 D201	L144-A150 HydrophobicContact CD2-CB 3.83Å; L147-A150 HydrophobicContact CD1-CB 4.09Å; L147-A150 VanDerWaalsContact O-CB 3.27Å; L147-A150 WeakPolarHBondContact O-CB 3.45Å; L147-A150 PolarHBondContact O-N 2.99Å; A150-R180 VanDerWaalsContact O-CB 3.31Å; A150-R180 WeakPolarHBondContact O-CB 3.34Å; A150-R180 PolarHBondContact O-N 2.85Å; A150-D201 WeakPolarHBondContact CA-OD2 3.48Å; A150-D201 HydrophobicContact CB-CB 3.91Å
151	L	98.2	Very high	95.7	Very high	40 Å²	40	57.8 Å²	57.8	21%	0.209	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	116.5	163.1	-170.7	67.6	0	0	0	109.4	L153 R183 D201	L151-L153 HydrophobicContact CG-CD2 4.47Å; L151-R183 HydrophobicContact CD1-CG 4.03Å; L151-R183 HydrophobicContact CD2-CG 4.16Å; L151-R183 HydrophobicContact CG-CG 4.3Å; L151-D201 PolarHBondContact N-OD2 3.48Å; L151-D201 PolarHBondContact O-N 3.24Å
152	V	98.3	Very high	95.6	Very high	0 Å²	0	61.4 Å²	61.4	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	132.4	-178.1	-176.8	0	0	0	0	110.2	I175 A179 G181 V182 R183 I202 F204	V152-I175 HydrophobicContact CB-CG2 4.3Å; V152-I175 HydrophobicContact CG1-CG2 4.1Å; V152-I175 HydrophobicContact CG2-CG2 3.8Å; V152-A179 HydrophobicContact CG2-CB 3.78Å; V152-G181 PolarHBondContact N-O 3.32Å; V152-V182 HydrophobicContact CB-CG2 4.16Å; V152-V182 CarbonylContact O-C 3.55Å; V152-V182 WeakPolarHBondContact O-CA 3.41Å; V152-R183 PolarHBondContact O-N 3.5Å; V152-I202 CarbonylContact C-O 3.37Å; V152-I202 WeakPolarHBondContact CA-O 3.35Å; V152-I202 HydrophobicContact CG1-CB 4.33Å; V152-I202 HydrophobicContact CG1-CG2 4.32Å; V152-I202 HydrophobicContact CG2-CB 4.32Å; V152-I202 HydrophobicContact CG2-CD1 4.36Å; V152-F204 HydrophobicContact CG1-CD1 3.93Å; V152-F204 HydrophobicContact CG1-CE1 3.65Å
153	L	98.4	Very high	95.5	Very high	1 Å²	1	62.3 Å²	62.3	1%	0.005	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	138.8	175.8	-52.6	-171.4	0	0	0	108.7	L151 R183 M185 H191 Q194 I195 I202 F203 F204	L151-L153 HydrophobicContact CG-CD2 4.47Å; L153-R183 WeakPolarHBondContact CA-O 3.27Å; L153-R183 HydrophobicContact CD2-CB 3.7Å; L153-R183 HydrophobicContact CD2-CG 4.25Å; L153-M185 HydrophobicContact CD1-CE 4.27Å; L153-M185 HydrophobicContact CD2-CE 4.17Å; L153-H191 HydrophobicContact CB-CB 4.25Å; L153-H191 HydrophobicContact CD1-CB 4.3Å; L153-H191 WeakPolarHBondContact CD1-O 3.38Å; L153-Q194 HydrophobicContact CD1-CB 3.84Å; L153-I195 HydrophobicContact CD1-CD1 3.64Å; L153-I195 HydrophobicContact CD1-CG1 4.25Å; L153-I195 HydrophobicContact CG-CD1 3.96Å; L153-I202 PolarHBondContact N-O 3.24Å; L153-F203 HydrophobicContact CB-CB 4.21Å; L153-F203 HydrophobicContact CB-CD2 4.01Å; L153-F203 VanDerWaalsContact O-CA 3.29Å; L153-F203 WeakPolarHBondContact O-CA 3.36Å; L153-F203 WeakPolarHBondContact O-CD2 3.13Å; L153-F204 PolarHBondContact O-N 2.85Å; L153-F204 VanDerWaalsContact O-N 3.16Å
154	T	97.4	Very high	95.3	Very high	4 Å²	4	56.7 Å²	56.7	3%	0.025	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.5	167.1	178.7	-166.9	0	0	0	0	110.3	I172 V182 R183 T184 H191 F204	T154-I172 HydrophobicContact CG2-CD1 3.96Å; T154-I172 HydrophobicContact CG2-CG1 4.15Å; T154-V182 HydrophobicContact CG2-CG1 3.79Å; T154-R183 PolarHBondContact N-O 3.28Å; T154-R183 VanDerWaalsContact N-O 3.08Å; T154-T184 WeakPolarHBondContact O-CA 3.34Å; T154-T184 WeakPolarHBondContact O-CB 3.27Å; T154-H191 PolarHBondContact O-CE1 2.78Å; T154-F204 WeakPolarHBondContact CA-O 3.46Å; T154-F204 VanDerWaalsContact CB-O 3.3Å; T154-F204 WeakPolarHBondContact CB-O 3.47Å; T154-F204 HydrophobicContact CG2-CE1 4.4Å; T154-F204 HydrophobicContact CG2-CZ 4.26Å; T154-F204 WeakPolarHBondContact OG1-CE2 3.46Å; T154-F204 WeakPolarHBondContact OG1-CZ 2.93Å; T154-F204 PolarHBondContact OG1-O 3.36Å
155	D	96.1	Very high	95.3	Very high	27 Å²	27	55.7 Å²	55.7	14%	0.144	30%	0.303	C	S	.	.			trans	-140.8	170.8	171.6	-135.9	-64.1	0	0	0	112.8	T184 G186 H191 E205	D155-T184 PolarHBondContact OD2-OG1 2.91Å; D155-G186 WeakPolarHBondContact OD2-CA 3.38Å; D155-G186 PolarHBondContact OD2-N 3.13Å; D155-H191 IonicContact OD2-CE1 3.97Å; D155-H191 PolarHBondContact OD2-CE1 3.49Å; D155-E205 HydrophobicContact CB-CG 4.37Å; D155-E205 WeakPolarHBondContact CB-OE2 3.41Å
156	W	94.4	Very high	95.4	Very high	91 Å²	91	51.1 Å²	51.1	35%	0.345	29%	0.285	S	S	.	.			trans	-95.4	-9.6	-176.4	-63.4	90.7	0	0	0	112.8	L165 K168 S169 I172	W156-L165 HydrophobicContact CE3-CD2 4.41Å; W156-K168 HydrophobicContact CE3-CB 4.05Å; W156-K168 HydrophobicContact CZ3-CB 3.94Å; W156-K168 PolarHBondContact O-NZ 3.44Å; W156-S169 WeakPolarHBondContact CH2-OG 3.4Å; W156-S169 WeakPolarHBondContact CZ3-OG 3.45Å; W156-I172 HydrophobicContact CH2-CD1 3.73Å; W156-I172 HydrophobicContact CZ2-CD1 3.56Å; W156-I172 HydrophobicContact CZ3-CD1 4.25Å
157	G	90	Very high	95.3	Very high	22 Å²	22	51.7 Å²	51.7	23%	0.227	29%	0.287	C	S	.	.			trans	59.5	-163.7	-177.3	0	0	0	0	0	113.6	R160 E205	G157-R160 VanDerWaalsContact O-CZ 3.23Å; G157-R160 PolarHBondContact O-NH1 3.43Å; G157-R160 PolarHBondContact O-NH2 3.44Å; G157-E205 PolarHBondContact N-OE1 2.82Å
158	G	86.8	Confident	95.3	Very high	28 Å²	28	49.6 Å²	49.6	29%	0.289	28%	0.275	S	S	.	.	S	Bend	trans	-93.6	-20.2	-178.8	0	0	0	0	0	116.1	S33 R160	S33-G158 PolarHBondContact OG-O 3.11Å; G158-R160 VanDerWaalsContact C-NH1 3.26Å; G158-R160 PolarHBondContact O-N 3Å; G158-R160 PolarHBondContact O-NH1 3.11Å
159	D	90.4	Very high	95.2	Very high	77 Å²	77	49.5 Å²	49.5	41%	0.412	27%	0.274	S	S	.	.			trans	-70.9	128.7	-178.6	-168.7	-17	0	0	0	111.3	N161 V164	D159-N161 VanDerWaalsContact OD1-CB 3.28Å; D159-N161 WeakPolarHBondContact OD1-CB 3.49Å; D159-N161 PolarHBondContact OD1-N 2.86Å; D159-V164 HydrophobicContact CB-CG1 4.24Å
160	R	92.5	Very high	95.2	Very high	71 Å²	71	49.4 Å²	49.4	27%	0.268	28%	0.277	S	S	.	.			trans	-116.9	13.8	-177.5	-62.2	-67.4	173.9	-87.6	2.9	113	Y34 A35 G157 G158	Y34-R160 HydrophobicContact CE1-CB 4.2Å; Y34-R160 HydrophobicContact CE1-CG 3.91Å; Y34-R160 HydrophobicContact CE2-CG 4.36Å; Y34-R160 WeakPolarHBondContact OH-CD 3.26Å; A35-R160 HydrophobicContact CB-CG 4.49Å; G157-R160 VanDerWaalsContact O-CZ 3.23Å; G157-R160 PolarHBondContact O-NH1 3.43Å; G157-R160 PolarHBondContact O-NH2 3.44Å; G158-R160 VanDerWaalsContact C-NH1 3.26Å; G158-R160 PolarHBondContact O-N 3Å; G158-R160 PolarHBondContact O-NH1 3.11Å
161	N	93.8	Very high	95	Very high	80 Å²	80	51.7 Å²	51.7	43%	0.428	29%	0.289	S	S	.	.			trans	-60.8	126.2	171.5	-172.3	-35.1	0	0	0	109.9	D159 S163 V164 L165	D159-N161 VanDerWaalsContact OD1-CB 3.28Å; D159-N161 WeakPolarHBondContact OD1-CB 3.49Å; D159-N161 PolarHBondContact OD1-N 2.86Å; N161-S163 PolarHBondContact O-N 3.09Å; N161-S163 VanDerWaalsContact O-N 3.16Å; N161-S163 PolarHBondContact OD1-N 3.04Å; N161-S163 VanDerWaalsContact OD1-N 3.08Å; N161-S163 PolarHBondContact OD1-OG 3.42Å; N161-V164 HydrophobicContact CB-CB 4.22Å; N161-V164 HydrophobicContact CB-CG2 4.02Å; N161-V164 PolarHBondContact O-N 3.47Å; N161-L165 WeakPolarHBondContact O-CG 3.37Å; N161-L165 PolarHBondContact O-N 3.28Å
162	P	95.8	Very high	94.9	Very high	91 Å²	91	51 Å²	51	59%	0.591	29%	0.285	S	S	*	.	H	α-helix	trans	-50.6	-40.5	179.5	-29.8	35.9	0	0	0	114.2	V164 L165 D166	P162-V164 VanDerWaalsContact C-N 3.34Å; P162-V164 PolarHBondContact O-N 3.19Å; P162-L165 PolarHBondContact O-N 3.12Å; P162-D166 WeakPolarHBondContact O-CB 3.37Å; P162-D166 PolarHBondContact O-N 2.85Å
163	S	96.2	Very high	94.9	Very high	62 Å²	62	58.5 Å²	58.5	43%	0.434	31%	0.313	S	S	.	.	H	α-helix	trans	-67.2	-35.8	-179.5	64.6	0	0	0	0	112.7	N161 I167	N161-S163 PolarHBondContact O-N 3.09Å; N161-S163 VanDerWaalsContact O-N 3.16Å; N161-S163 PolarHBondContact OD1-N 3.04Å; N161-S163 VanDerWaalsContact OD1-N 3.08Å; N161-S163 PolarHBondContact OD1-OG 3.42Å; S163-I167 WeakPolarHBondContact O-CD1 3.38Å; S163-I167 VanDerWaalsContact O-CG1 3.27Å; S163-I167 WeakPolarHBondContact O-CG1 3.45Å; S163-I167 PolarHBondContact O-N 3.11Å; S163-I167 VanDerWaalsContact O-N 3.11Å
164	V	94.1	Very high	94.8	Very high	37 Å²	37	64.3 Å²	64.3	22%	0.224	34%	0.34	C	S	.	.	H	α-helix	trans	-69.3	-42.4	175.5	174.7	0	0	0	0	110.2	D159 N161 P162 D166 I167 K168	D159-V164 HydrophobicContact CB-CG1 4.24Å; N161-V164 HydrophobicContact CB-CB 4.22Å; N161-V164 HydrophobicContact CB-CG2 4.02Å; N161-V164 PolarHBondContact O-N 3.47Å; P162-V164 VanDerWaalsContact C-N 3.34Å; P162-V164 PolarHBondContact O-N 3.19Å; V164-D166 VanDerWaalsContact C-N 3.35Å; V164-D166 PolarHBondContact O-N 3.44Å; V164-I167 PolarHBondContact O-N 3.5Å; V164-K168 HydrophobicContact CG1-CD 4.28Å; V164-K168 WeakPolarHBondContact O-CG 3.29Å; V164-K168 PolarHBondContact O-N 3.43Å
165	L	95.8	Very high	94.7	Very high	46 Å²	46	66.3 Å²	66.3	24%	0.241	35%	0.351	C	S	.	.	H	α-helix	trans	-63.8	-39	176	-65.9	177.5	0	0	0	112.2	W156 N161 P162 K168 S169	W156-L165 HydrophobicContact CE3-CD2 4.41Å; N161-L165 WeakPolarHBondContact O-CG 3.37Å; N161-L165 PolarHBondContact O-N 3.28Å; P162-L165 PolarHBondContact O-N 3.12Å; L165-K168 PolarHBondContact O-N 2.94Å; L165-S169 VanDerWaalsContact O-CB 3.27Å; L165-S169 WeakPolarHBondContact O-CB 3.23Å; L165-S169 PolarHBondContact O-N 3.42Å; L165-S169 PolarHBondContact O-OG 2.93Å
166	D	97.6	Very high	94.7	Very high	99 Å²	99	68.1 Å²	68.1	53%	0.529	36%	0.36	S	S	.	.	H	α-helix	trans	-63.5	-43.6	175.3	-73	-22.4	0	0	0	111.2	P162 V164 S169 N170	P162-D166 WeakPolarHBondContact O-CB 3.37Å; P162-D166 PolarHBondContact O-N 2.85Å; V164-D166 VanDerWaalsContact C-N 3.35Å; V164-D166 PolarHBondContact O-N 3.44Å; D166-S169 PolarHBondContact O-N 3.37Å; D166-N170 WeakPolarHBondContact O-CB 3.47Å; D166-N170 PolarHBondContact O-N 3.41Å; D166-N170 PolarHBondContact O-ND2 3.39Å; D166-N170 VanDerWaalsContact O-ND2 3.11Å
167	I	95.7	Very high	94.9	Very high	99 Å²	99	67.1 Å²	67.1	51%	0.508	37%	0.366	S	S	.	.	H	α-helix	trans	-61.3	-49.9	175.6	-69.3	164	0	0	0	110.7	S163 V164 S169 N170 N171	S163-I167 WeakPolarHBondContact O-CD1 3.38Å; S163-I167 VanDerWaalsContact O-CG1 3.27Å; S163-I167 WeakPolarHBondContact O-CG1 3.45Å; S163-I167 PolarHBondContact O-N 3.11Å; S163-I167 VanDerWaalsContact O-N 3.11Å; V164-I167 PolarHBondContact O-N 3.5Å; I167-S169 VanDerWaalsContact C-N 3.34Å; I167-S169 PolarHBondContact O-N 3.48Å; I167-N170 PolarHBondContact O-N 3.37Å; I167-N171 VanDerWaalsContact O-CG 3.29Å; I167-N171 PolarHBondContact O-N 2.98Å
168	K	95.5	Very high	95.2	Very high	20 Å²	20	72.9 Å²	72.9	9%	0.087	39%	0.385	C	S	.	.	H	α-helix	trans	-59.4	-45	178.4	-72	-178.8	176.4	-169.2	0	111.5	W156 V164 L165 N170 N171 I172 F206	W156-K168 HydrophobicContact CE3-CB 4.05Å; W156-K168 HydrophobicContact CZ3-CB 3.94Å; W156-K168 PolarHBondContact O-NZ 3.44Å; V164-K168 HydrophobicContact CG1-CD 4.28Å; V164-K168 WeakPolarHBondContact O-CG 3.29Å; V164-K168 PolarHBondContact O-N 3.43Å; L165-K168 PolarHBondContact O-N 2.94Å; K168-N170 PolarHBondContact O-N 2.78Å; K168-N171 PolarHBondContact O-N 2.9Å; K168-I172 WeakPolarHBondContact O-CG1 3.18Å; K168-I172 PolarHBondContact O-N 3.23Å; K168-F206 PolarHBondContact NZ-O 3.27Å
169	S	96.6	Very high	95.8	Very high	48 Å²	48	72.1 Å²	72.1	34%	0.336	38%	0.376	S	S	.	.	H	α-helix	trans	-60.8	-43.8	177.3	-60.9	0	0	0	0	112.1	W156 L165 D166 I167 I172 R173	W156-S169 WeakPolarHBondContact CH2-OG 3.4Å; W156-S169 WeakPolarHBondContact CZ3-OG 3.45Å; L165-S169 VanDerWaalsContact O-CB 3.27Å; L165-S169 WeakPolarHBondContact O-CB 3.23Å; L165-S169 PolarHBondContact O-N 3.42Å; L165-S169 PolarHBondContact O-OG 2.93Å; D166-S169 PolarHBondContact O-N 3.37Å; I167-S169 VanDerWaalsContact C-N 3.34Å; I167-S169 PolarHBondContact O-N 3.48Å; S169-I172 PolarHBondContact O-N 3.17Å; S169-R173 VanDerWaalsContact O-CB 3.32Å; S169-R173 WeakPolarHBondContact O-CB 3.49Å; S169-R173 PolarHBondContact O-N 2.97Å
170	N	97.3	Very high	96.1	Very high	94 Å²	94	77.3 Å²	77.3	50%	0.503	39%	0.39	S	S	.	.	H	α-helix	trans	-65	-40.7	177.7	-75.6	-30.5	0	0	0	112.1	D166 I167 K168 R173 Q174	D166-N170 WeakPolarHBondContact O-CB 3.47Å; D166-N170 PolarHBondContact O-N 3.41Å; D166-N170 PolarHBondContact O-ND2 3.39Å; D166-N170 VanDerWaalsContact O-ND2 3.11Å; I167-N170 PolarHBondContact O-N 3.37Å; K168-N170 PolarHBondContact O-N 2.78Å; N170-R173 PolarHBondContact O-N 2.85Å; N170-Q174 WeakPolarHBondContact O-CG 3.42Å; N170-Q174 PolarHBondContact O-N 3.15Å
171	N	94.8	Very high	96.3	Very high	48 Å²	48	74.3 Å²	74.3	26%	0.257	38%	0.381	S	S	.	.	H	α-helix	trans	-61.7	-49.4	175.8	-71.2	-12.9	0	0	0	111.1	I167 K168 R173 Q174 I175	I167-N171 VanDerWaalsContact O-CG 3.29Å; I167-N171 PolarHBondContact O-N 2.98Å; K168-N171 PolarHBondContact O-N 2.9Å; N171-R173 VanDerWaalsContact C-N 3.34Å; N171-R173 PolarHBondContact O-N 2.83Å; N171-Q174 PolarHBondContact O-N 3.5Å; N171-I175 WeakPolarHBondContact O-CG1 3.32Å; N171-I175 PolarHBondContact O-N 3.04Å
172	I	96.4	Very high	96.5	Very high	26 Å²	26	72.2 Å²	72.2	13%	0.133	37%	0.371	C	S	.	.	H	α-helix	trans	-61.1	-43.9	178	-67.5	168.2	0	0	0	110.8	T154 W156 K168 S169 Q174 I175 I176 F204	T154-I172 HydrophobicContact CG2-CD1 3.96Å; T154-I172 HydrophobicContact CG2-CG1 4.15Å; W156-I172 HydrophobicContact CH2-CD1 3.73Å; W156-I172 HydrophobicContact CZ2-CD1 3.56Å; W156-I172 HydrophobicContact CZ3-CD1 4.25Å; K168-I172 WeakPolarHBondContact O-CG1 3.18Å; K168-I172 PolarHBondContact O-N 3.23Å; S169-I172 PolarHBondContact O-N 3.17Å; I172-Q174 VanDerWaalsContact C-N 3.29Å; I172-Q174 PolarHBondContact O-N 2.94Å; I172-I175 PolarHBondContact O-N 3.5Å; I172-I176 VanDerWaalsContact O-CG2 3.28Å; I172-I176 WeakPolarHBondContact O-CG2 3.16Å; I172-I176 PolarHBondContact O-N 2.89Å; I172-F204 HydrophobicContact CG1-CZ 4.08Å
173	R	97.4	Very high	96.6	Very high	157 Å²	157	74.4 Å²	74.4	59%	0.592	37%	0.368	S	S	*	.	H	α-helix	trans	-59.6	-38.1	178	176.4	57.7	-176.1	89.9	-2.8	112.7	S169 N170 N171 S177	S169-R173 VanDerWaalsContact O-CB 3.32Å; S169-R173 WeakPolarHBondContact O-CB 3.49Å; S169-R173 PolarHBondContact O-N 2.97Å; N170-R173 PolarHBondContact O-N 2.85Å; N171-R173 VanDerWaalsContact C-N 3.34Å; N171-R173 PolarHBondContact O-N 2.83Å; R173-S177 VanDerWaalsContact NH1-CB 3.3Å; R173-S177 PolarHBondContact O-N 2.82Å
174	Q	96.6	Very high	96.7	Very high	124 Å²	124	75 Å²	75	58%	0.579	37%	0.369	S	S	*	.	H	α-helix	trans	-69	-42.2	176.2	-73.4	178.6	58.9	0	0	111.4	N170 N171 I172 S177	N170-Q174 WeakPolarHBondContact O-CG 3.42Å; N170-Q174 PolarHBondContact O-N 3.15Å; N171-Q174 PolarHBondContact O-N 3.5Å; I172-Q174 VanDerWaalsContact C-N 3.29Å; I172-Q174 PolarHBondContact O-N 2.94Å; Q174-S177 PolarHBondContact O-N 3.31Å; Q174-S177 PolarHBondContact O-OG 3.32Å
175	I	95.6	Very high	96.7	Very high	46 Å²	46	74.5 Å²	74.5	24%	0.236	37%	0.365	C	S	.	.	H	α-helix	trans	-69.1	-50.5	-178.7	-67.4	166	0	0	0	111.4	V152 N171 I172 S177 K178 A179 F204	V152-I175 HydrophobicContact CB-CG2 4.3Å; V152-I175 HydrophobicContact CG1-CG2 4.1Å; V152-I175 HydrophobicContact CG2-CG2 3.8Å; N171-I175 WeakPolarHBondContact O-CG1 3.32Å; N171-I175 PolarHBondContact O-N 3.04Å; I172-I175 PolarHBondContact O-N 3.5Å; I175-S177 PolarHBondContact O-N 3.03Å; I175-S177 VanDerWaalsContact O-N 3.08Å; I175-K178 CarbonylContact O-C 3.58Å; I175-K178 PolarHBondContact O-N 3.25Å; I175-A179 HydrophobicContact CG2-CB 4.23Å; I175-A179 WeakPolarHBondContact O-CB 3.19Å; I175-A179 PolarHBondContact O-N 2.8Å; I175-F204 HydrophobicContact CD1-CD1 4.03Å; I175-F204 HydrophobicContact CD1-CE1 3.3Å; I175-F204 HydrophobicContact CD1-CE2 4.19Å; I175-F204 HydrophobicContact CD1-CZ 3.39Å
176	I	96.5	Very high	96.8	Very high	65 Å²	65	73.4 Å²	73.4	33%	0.333	37%	0.365	S	S	.	.	H	α-helix	trans	-64.1	-18.1	-179.3	-167.2	61.9	0	0	0	112.8	I172 K178 V182	I172-I176 VanDerWaalsContact O-CG2 3.28Å; I172-I176 WeakPolarHBondContact O-CG2 3.16Å; I172-I176 PolarHBondContact O-N 2.89Å; I176-K178 PolarHBondContact O-N 3.13Å; I176-V182 HydrophobicContact CB-CG2 4.22Å; I176-V182 HydrophobicContact CD1-CB 4.4Å; I176-V182 HydrophobicContact CD1-CG2 3.82Å; I176-V182 HydrophobicContact CG1-CG2 4.43Å
177	S	97.4	Very high	96.8	Very high	69 Å²	69	68.8 Å²	68.8	48%	0.483	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-15.9	172.3	80.3	0	0	0	0	113.9	R173 Q174 I175	R173-S177 VanDerWaalsContact NH1-CB 3.3Å; R173-S177 PolarHBondContact O-N 2.82Å; Q174-S177 PolarHBondContact O-N 3.31Å; Q174-S177 PolarHBondContact O-OG 3.32Å; I175-S177 PolarHBondContact O-N 3.03Å; I175-S177 VanDerWaalsContact O-N 3.08Å
178	K	97.7	Very high	96.9	Very high	143 Å²	143	64.2 Å²	64.2	62%	0.622	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-126.5	-10.1	-176.1	-59.9	178.1	-175.6	176.1	0	113.3	L147 S148 I175 I176	L147-K178 CarbonylContact C-O 3.54Å; L147-K178 HydrophobicContact CD2-CB 3.74Å; L147-K178 HydrophobicContact CD2-CD 4.39Å; L147-K178 HydrophobicContact CG-CB 4.32Å; S148-K178 WeakPolarHBondContact CA-O 3.41Å; S148-K178 PolarHBondContact N-O 2.97Å; I175-K178 CarbonylContact O-C 3.58Å; I175-K178 PolarHBondContact O-N 3.25Å; I176-K178 PolarHBondContact O-N 3.13Å
179	A	97.8	Very high	97	Very high	13 Å²	13	63.3 Å²	63.3	11%	0.107	31%	0.313	C	S	.	.	S	Bend	trans	-109.6	159.1	-177.2	0	0	0	0	0	112.3	L147 V152 I175 G181	L147-A179 HydrophobicContact CD1-CB 4.19Å; L147-A179 HydrophobicContact CG-CB 4.39Å; L147-A179 VanDerWaalsContact O-CA 3.3Å; L147-A179 WeakPolarHBondContact O-CA 3.42Å; V152-A179 HydrophobicContact CG2-CB 3.78Å; I175-A179 HydrophobicContact CG2-CB 4.23Å; I175-A179 WeakPolarHBondContact O-CB 3.19Å; I175-A179 PolarHBondContact O-N 2.8Å; A179-G181 PolarHBondContact O-N 2.79Å
180	R	97.3	Very high	97.1	Very high	185 Å²	185	61 Å²	61	70%	0.698	30%	0.297	S	S	*	.	S	Bend	trans	-67.6	-36.8	-178.4	-171.9	179.1	-179.5	-172.7	2.3	112.7	S148 Q149 A150	S148-R180 WeakPolarHBondContact O-CB 3.19Å; S148-R180 PolarHBondContact O-N 3.04Å; Q149-R180 WeakPolarHBondContact O-CD 3.35Å; A150-R180 VanDerWaalsContact O-CB 3.31Å; A150-R180 WeakPolarHBondContact O-CB 3.34Å; A150-R180 PolarHBondContact O-N 2.85Å
181	G	97.5	Very high	97.2	Very high	8 Å²	8	56.5 Å²	56.5	8%	0.082	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-172.9	164.5	-174.9	0	0	0	0	0	112.9	V152 A179	V152-G181 PolarHBondContact N-O 3.32Å; A179-G181 PolarHBondContact O-N 2.79Å
182	V	97.8	Very high	97.4	Very high	37 Å²	37	54.9 Å²	54.9	22%	0.224	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	145.1	174.5	173.2	0	0	0	0	110	V152 T154 I176	V152-V182 HydrophobicContact CB-CG2 4.16Å; V152-V182 CarbonylContact O-C 3.55Å; V152-V182 WeakPolarHBondContact O-CA 3.41Å; T154-V182 HydrophobicContact CG2-CG1 3.79Å; I176-V182 HydrophobicContact CB-CG2 4.22Å; I176-V182 HydrophobicContact CD1-CB 4.4Å; I176-V182 HydrophobicContact CD1-CG2 3.82Å; I176-V182 HydrophobicContact CG1-CG2 4.43Å
183	R	97.9	Very high	97.5	Very high	136 Å²	136	53.7 Å²	53.7	51%	0.513	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	151.6	170	-58.6	-68.3	179.6	-88.7	-0.3	110.2	L151 V152 L153 T154	L151-R183 HydrophobicContact CD1-CG 4.03Å; L151-R183 HydrophobicContact CD2-CG 4.16Å; L151-R183 HydrophobicContact CG-CG 4.3Å; V152-R183 PolarHBondContact O-N 3.5Å; L153-R183 WeakPolarHBondContact CA-O 3.27Å; L153-R183 HydrophobicContact CD2-CB 3.7Å; L153-R183 HydrophobicContact CD2-CG 4.25Å; T154-R183 PolarHBondContact N-O 3.28Å; T154-R183 VanDerWaalsContact N-O 3.08Å
184	T	96.8	Very high	97.6	Very high	76 Å²	76	46.8 Å²	46.8	47%	0.466	23%	0.232	S	C	.	.			trans	-127.5	138.4	168.8	162.6	0	0	0	0	107.6	T154 D155 H191	T154-T184 WeakPolarHBondContact O-CA 3.34Å; T154-T184 WeakPolarHBondContact O-CB 3.27Å; D155-T184 PolarHBondContact OD2-OG1 2.91Å; T184-H191 WeakPolarHBondContact CA-NE2 3.15Å
185	M	95.9	Very high	97.7	Very high	26 Å²	26	41.7 Å²	41.7	13%	0.128	21%	0.209	C	C	.	.			trans	-120.9	-12.7	-178.5	-61	178.9	-174.1	0	0	111.5	N90 F97 L153 S187 H191 Q194	N90-M185 PolarHBondContact ND2-O 3.01Å; F97-M185 HydrophobicContact CB-CB 4.3Å; F97-M185 VanDerWaalsContact CB-O 3.24Å; F97-M185 WeakPolarHBondContact CB-O 3.4Å; F97-M185 HydrophobicContact CD1-CB 4.03Å; F97-M185 HydrophobicContact CD1-CG 4.14Å; F97-M185 HydrophobicContact CD1-SD 4.12Å; F97-M185 HydrophobicContact CE1-CG 4.23Å; F97-M185 HydrophobicContact CE1-SD 4.07Å; F97-M185 HydrophobicContact CG-CB 4.16Å; L153-M185 HydrophobicContact CD1-CE 4.27Å; L153-M185 HydrophobicContact CD2-CE 4.17Å; M185-S187 VanDerWaalsContact C-N 3.32Å; M185-H191 WeakPolarHBondContact CB-NE2 3.48Å; M185-H191 PolarHBondContact N-CE1 3.33Å; M185-H191 VanDerWaalsContact N-CE1 3.32Å; M185-H191 PolarHBondContact N-NE2 2.7Å; M185-Q194 HydrophobicContact CE-CB 4.32Å; M185-Q194 HydrophobicContact CE-CG 3.85Å; M185-Q194 HydrophobicContact SD-CG 3.85Å
186	G	96.1	Very high	97.8	Very high	23 Å²	23	39.5 Å²	39.5	24%	0.237	20%	0.198	C	C	.	.	S	Bend	trans	74	17.6	-178.5	0	0	0	0	0	114.8	G87 N90 D155	G87-G186 WeakPolarHBondContact CA-O 3.26Å; N90-G186 WeakPolarHBondContact ND2-CA 3.46Å; N90-G186 PolarHBondContact ND2-O 3.5Å; D155-G186 WeakPolarHBondContact OD2-CA 3.38Å; D155-G186 PolarHBondContact OD2-N 3.13Å
187	S	97.8	Very high	97.9	Very high	1 Å²	1	37.3 Å²	37.3	1%	0.007	19%	0.189	C	C	.	.			trans	-149.6	118.1	177	151.3	0	0	0	0	109.3	D86 M185 L190 H191	D86-S187 VanDerWaalsContact CG-OG 3.28Å; D86-S187 WeakPolarHBondContact OD1-CA 3.43Å; D86-S187 WeakPolarHBondContact OD2-CA 3.47Å; D86-S187 VanDerWaalsContact OD2-CB 3.26Å; D86-S187 WeakPolarHBondContact OD2-CB 3.32Å; D86-S187 PolarHBondContact OD2-OG 3.39Å; M185-S187 VanDerWaalsContact C-N 3.32Å; S187-L190 PolarHBondContact O-N 2.75Å; S187-L190 VanDerWaalsContact OG-CB 3.29Å; S187-L190 WeakPolarHBondContact OG-CB 3.31Å; S187-L190 VanDerWaalsContact OG-CG 3.28Å; S187-L190 WeakPolarHBondContact OG-CG 3.24Å; S187-L190 PolarHBondContact OG-N 3.49Å; S187-H191 VanDerWaalsContact O-CG 3.28Å; S187-H191 PolarHBondContact O-N 2.69Å; S187-H191 PolarHBondContact O-ND1 3.12Å
188	A	98.1	Very high	98	Very high	4 Å²	4	35.4 Å²	35.4	3%	0.033	18%	0.18	C	C	.	.	H	α-helix	trans	-66.9	-40.1	-178.8	0	0	0	0	0	111.2	D86 L190 H191 M192 F203 I208 D212	D86-A188 PolarHBondContact OD2-N 3.47Å; A188-L190 PolarHBondContact O-N 3.34Å; A188-H191 PolarHBondContact O-N 2.64Å; A188-M192 WeakPolarHBondContact O-CG 3.32Å; A188-M192 PolarHBondContact O-N 2.84Å; A188-F203 HydrophobicContact CB-CE1 4.32Å; A188-F203 HydrophobicContact CB-CZ 3.84Å; A188-I208 HydrophobicContact CB-CD1 4.42Å; A188-I208 HydrophobicContact CB-CG2 4.42Å; A188-D212 HydrophobicContact CB-CB 4.04Å
189	A	98.7	Very high	98	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-61.8	-43.8	178	0	0	0	0	0	111	D86 V115 M192 C193 D212	D86-A189 HydrophobicContact CB-CB 4.42Å; D86-A189 WeakPolarHBondContact OD2-CB 3.48Å; D86-A189 PolarHBondContact OD2-N 2.9Å; V115-A189 HydrophobicContact CG1-CB 3.99Å; V115-A189 HydrophobicContact CG2-CB 4.18Å; A189-M192 PolarHBondContact O-N 3.29Å; A189-C193 WeakPolarHBondContact O-CB 3.24Å; A189-C193 PolarHBondContact O-N 2.82Å; A189-C193 PolarHBondContact O-SG 3.23Å; A189-D212 WeakPolarHBondContact CA-O 3.23Å; A189-D212 WeakPolarHBondContact CB-O 3.5Å; A189-D212 PolarHBondContact N-O 3.12Å
190	L	98.7	Very high	98	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-70.3	-38.8	177.4	-69	175.8	0	0	0	112.4	F97 C99 V115 N117 F124 S187 A188 M192 C193 Q194	F97-L190 HydrophobicContact CB-CD1 3.97Å; F97-L190 HydrophobicContact CD1-CD1 4.35Å; C99-L190 HydrophobicContact CB-CD1 4.24Å; C99-L190 HydrophobicContact CB-CD2 4.03Å; C99-L190 HydrophobicContact CB-CG 4.09Å; V115-L190 HydrophobicContact CG1-CD2 4.09Å; N117-L190 HydrophobicContact CB-CD1 4.48Å; N117-L190 HydrophobicContact CB-CD2 4.13Å; F124-L190 HydrophobicContact CE2-CD2 4.47Å; S187-L190 PolarHBondContact O-N 2.75Å; S187-L190 VanDerWaalsContact OG-CB 3.29Å; S187-L190 WeakPolarHBondContact OG-CB 3.31Å; S187-L190 VanDerWaalsContact OG-CG 3.28Å; S187-L190 WeakPolarHBondContact OG-CG 3.24Å; S187-L190 PolarHBondContact OG-N 3.49Å; A188-L190 PolarHBondContact O-N 3.34Å; L190-M192 VanDerWaalsContact C-N 3.33Å; L190-M192 PolarHBondContact O-N 3.19Å; L190-C193 PolarHBondContact O-N 3.16Å; L190-Q194 VanDerWaalsContact O-CG 3.26Å; L190-Q194 WeakPolarHBondContact O-CG 3.43Å; L190-Q194 PolarHBondContact O-N 2.72Å
191	H	98.7	Very high	98.1	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-54.9	-51.5	172.6	-74	133	0	0	0	111.2	L153 T154 D155 T184 M185 S187 A188 C193 Q194 I195 F203	L153-H191 HydrophobicContact CB-CB 4.25Å; L153-H191 HydrophobicContact CD1-CB 4.3Å; L153-H191 WeakPolarHBondContact CD1-O 3.38Å; T154-H191 PolarHBondContact O-CE1 2.78Å; D155-H191 IonicContact OD2-CE1 3.97Å; D155-H191 PolarHBondContact OD2-CE1 3.49Å; T184-H191 WeakPolarHBondContact CA-NE2 3.15Å; M185-H191 WeakPolarHBondContact CB-NE2 3.48Å; M185-H191 PolarHBondContact N-CE1 3.33Å; M185-H191 VanDerWaalsContact N-CE1 3.32Å; M185-H191 PolarHBondContact N-NE2 2.7Å; S187-H191 VanDerWaalsContact O-CG 3.28Å; S187-H191 PolarHBondContact O-N 2.69Å; S187-H191 PolarHBondContact O-ND1 3.12Å; A188-H191 PolarHBondContact O-N 2.64Å; H191-C193 VanDerWaalsContact C-N 3.34Å; H191-C193 PolarHBondContact O-N 2.81Å; H191-Q194 WeakPolarHBondContact O-CB 3.34Å; H191-Q194 PolarHBondContact O-N 2.74Å; H191-Q194 VanDerWaalsContact O-N 3.12Å; H191-I195 WeakPolarHBondContact O-CG1 3.07Å; H191-I195 PolarHBondContact O-N 2.77Å; H191-I195 VanDerWaalsContact O-N 3.11Å; H191-F203 HydrophobicContact CB-CD1 4.49Å; H191-F203 HydrophobicContact CB-CD2 3.32Å; H191-F203 HydrophobicContact CB-CE2 3.47Å; H191-F203 VanDerWaalsContact CB-CE2 3.47Å; H191-F203 HydrophobicContact CB-CG 3.86Å; H191-F203 HydrophobicContact CB-CZ 4.12Å; H191-F203 AromaticContact CG-CD2 3.75Å; H191-F203 AromaticContact CG-CE2 3.63Å; H191-F203 AromaticContact ND1-CD2 3.99Å; H191-F203 AromaticContact ND1-CE2 3.4Å; H191-F203 WeakPolarHBondContact ND1-CE2 3.49Å
192	M	98.8	Very high	98.1	Very high	14 Å²	14	28.7 Å²	28.7	7%	0.069	16%	0.16	C	C	.	.	H	α-helix	trans	-62.3	-39.9	178.6	-71.3	-174.3	73.7	0	0	112.3	A188 A189 L190 Q194 I195 A196 F203 A216 V217 V220	A188-M192 WeakPolarHBondContact O-CG 3.32Å; A188-M192 PolarHBondContact O-N 2.84Å; A189-M192 PolarHBondContact O-N 3.29Å; L190-M192 VanDerWaalsContact C-N 3.33Å; L190-M192 PolarHBondContact O-N 3.19Å; M192-Q194 VanDerWaalsContact C-N 3.27Å; M192-Q194 PolarHBondContact O-N 2.83Å; M192-I195 WeakPolarHBondContact O-CA 3.1Å; M192-I195 WeakPolarHBondContact O-CB 3.32Å; M192-I195 PolarHBondContact O-N 3.08Å; M192-I195 VanDerWaalsContact O-N 3.1Å; M192-A196 PolarHBondContact O-N 2.94Å; M192-F203 HydrophobicContact CG-CD1 3.29Å; M192-F203 HydrophobicContact CG-CE1 3.62Å; M192-F203 HydrophobicContact CG-CG 4.13Å; M192-F203 HydrophobicContact SD-CD1 4.13Å; M192-F203 HydrophobicContact SD-CE1 4.09Å; M192-A216 HydrophobicContact CB-CB 3.44Å; M192-A216 VanDerWaalsContact CB-CB 3.44Å; M192-A216 HydrophobicContact CE-CB 4.3Å; M192-A216 HydrophobicContact CG-CB 4.27Å; M192-A216 HydrophobicContact SD-CB 3.95Å; M192-V217 HydrophobicContact CE-CB 4.45Å; M192-V217 HydrophobicContact CE-CG2 3.72Å; M192-V220 HydrophobicContact CB-CG2 4.05Å; M192-V220 HydrophobicContact CE-CG2 4.2Å; M192-V220 WeakPolarHBondContact O-CG2 3.42Å
193	C	98.9	Very high	98.1	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-63.3	-32.6	174.8	-70.8	0	0	0	0	112.8	F124 A189 L190 H191 A196 A197	F124-C193 HydrophobicContact CB-CB 4.34Å; F124-C193 HydrophobicContact CD1-CB 3.78Å; F124-C193 HydrophobicContact CD2-CB 3.7Å; F124-C193 HydrophobicContact CE1-CB 3.89Å; F124-C193 HydrophobicContact CE2-CB 3.81Å; F124-C193 HydrophobicContact CG-CB 3.68Å; F124-C193 HydrophobicContact CZ-CB 3.9Å; A189-C193 WeakPolarHBondContact O-CB 3.24Å; A189-C193 PolarHBondContact O-N 2.82Å; A189-C193 PolarHBondContact O-SG 3.23Å; L190-C193 PolarHBondContact O-N 3.16Å; H191-C193 VanDerWaalsContact C-N 3.34Å; H191-C193 PolarHBondContact O-N 2.81Å; C193-A196 WeakPolarHBondContact O-CB 3.49Å; C193-A196 PolarHBondContact O-N 3.07Å; C193-A197 WeakPolarHBondContact O-CB 3.35Å; C193-A197 PolarHBondContact O-N 2.86Å
194	Q	98.7	Very high	98	Very high	13 Å²	13	24.3 Å²	24.3	6%	0.061	14%	0.142	C	C	.	.	H	α-helix	trans	-70.3	-32.5	173.3	-65	-64.6	-35.9	0	0	112.1	L153 M185 L190 H191 M192 A197 G198 N199 G200	L153-Q194 HydrophobicContact CD1-CB 3.84Å; M185-Q194 HydrophobicContact CE-CB 4.32Å; M185-Q194 HydrophobicContact CE-CG 3.85Å; M185-Q194 HydrophobicContact SD-CG 3.85Å; L190-Q194 VanDerWaalsContact O-CG 3.26Å; L190-Q194 WeakPolarHBondContact O-CG 3.43Å; L190-Q194 PolarHBondContact O-N 2.72Å; H191-Q194 WeakPolarHBondContact O-CB 3.34Å; H191-Q194 PolarHBondContact O-N 2.74Å; H191-Q194 VanDerWaalsContact O-N 3.12Å; M192-Q194 VanDerWaalsContact C-N 3.27Å; M192-Q194 PolarHBondContact O-N 2.83Å; Q194-A197 PolarHBondContact O-N 2.83Å; Q194-G198 PolarHBondContact O-N 3.3Å; Q194-N199 HydrophobicContact CB-CB 4.3Å; Q194-N199 PolarHBondContact O-N 3.09Å; Q194-N199 VanDerWaalsContact OE1-CB 3.24Å; Q194-N199 PolarHBondContact OE1-ND2 2.84Å; Q194-G200 PolarHBondContact O-N 2.84Å
195	I	98.7	Very high	97.9	Very high	17 Å²	17	22.2 Å²	22.2	9%	0.087	13%	0.127	C	C	.	.	H	α-helix	trans	-62.2	-48.4	168.3	-55.3	-51.4	0	0	0	110.2	T141 L153 H191 M192 A197 G198 G200 F203	T141-I195 HydrophobicContact CG2-CG2 4.47Å; L153-I195 HydrophobicContact CD1-CD1 3.64Å; L153-I195 HydrophobicContact CD1-CG1 4.25Å; L153-I195 HydrophobicContact CG-CD1 3.96Å; H191-I195 WeakPolarHBondContact O-CG1 3.07Å; H191-I195 PolarHBondContact O-N 2.77Å; H191-I195 VanDerWaalsContact O-N 3.11Å; M192-I195 WeakPolarHBondContact O-CA 3.1Å; M192-I195 WeakPolarHBondContact O-CB 3.32Å; M192-I195 PolarHBondContact O-N 3.08Å; M192-I195 VanDerWaalsContact O-N 3.1Å; I195-A197 PolarHBondContact O-N 3Å; I195-G198 PolarHBondContact O-N 3.41Å; I195-G200 WeakPolarHBondContact CD1-O 3.28Å; I195-F203 HydrophobicContact CD1-CB 4.2Å; I195-F203 HydrophobicContact CG1-CB 3.74Å
196	A	98.8	Very high	97.7	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-58.1	-33.4	177.5	0	0	0	0	0	112.7	I139 H140 T141 M192 C193 G198 I219 V220 A223	I139-A196 HydrophobicContact CD1-CB 4.04Å; H140-A196 CarbonylContact C-O 3.54Å; T141-A196 PolarHBondContact N-O 3.48Å; M192-A196 PolarHBondContact O-N 2.94Å; C193-A196 WeakPolarHBondContact O-CB 3.49Å; C193-A196 PolarHBondContact O-N 3.07Å; A196-G198 VanDerWaalsContact C-N 3.3Å; A196-G198 PolarHBondContact O-N 3.08Å; A196-I219 HydrophobicContact CB-CG2 3.71Å; A196-V220 HydrophobicContact CB-CG2 4.04Å; A196-A223 HydrophobicContact CB-CB 3.83Å; A196-A223 VanDerWaalsContact O-CB 3.3Å; A196-A223 WeakPolarHBondContact O-CB 3.35Å
197	A	98.6	Very high	97.4	Very high	19 Å²	19	28.2 Å²	28.2	16%	0.157	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80	-5.1	176.5	0	0	0	0	0	114.7	F124 I139 H140 C193 Q194 I195 N199	F124-A197 HydrophobicContact CE1-CB 4.18Å; I139-A197 HydrophobicContact CD1-CB 4.37Å; H140-A197 CarbonylContact O-C 3.55Å; C193-A197 WeakPolarHBondContact O-CB 3.35Å; C193-A197 PolarHBondContact O-N 2.86Å; Q194-A197 PolarHBondContact O-N 2.83Å; I195-A197 PolarHBondContact O-N 3Å; A197-N199 PolarHBondContact O-N 3.39Å
198	G	98.4	Very high	97.2	Very high	28 Å²	28	30.2 Å²	30.2	29%	0.289	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.6	15.9	-174.2	0	0	0	0	0	114.2	H140 Q194 I195 A196	H140-G198 PolarHBondContact O-N 3.07Å; Q194-G198 PolarHBondContact O-N 3.3Å; I195-G198 PolarHBondContact O-N 3.41Å; A196-G198 VanDerWaalsContact C-N 3.3Å; A196-G198 PolarHBondContact O-N 3.08Å
199	N	98	Very high	97	Very high	98 Å²	98	34.6 Å²	34.6	52%	0.524	20%	0.197	S	C	.	.	S	Bend	trans	-88.4	-7.5	177.3	-68	-26	0	0	0	113	Q194 A197	Q194-N199 HydrophobicContact CB-CB 4.3Å; Q194-N199 PolarHBondContact O-N 3.09Å; Q194-N199 VanDerWaalsContact OE1-CB 3.24Å; Q194-N199 PolarHBondContact OE1-ND2 2.84Å; A197-N199 PolarHBondContact O-N 3.39Å
200	G	98	Very high	96.9	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	21%	0.21	C	C	.	.			trans	-148.1	165.4	166.8	0	0	0	0	0	109.4	Q194 I195	Q194-G200 PolarHBondContact O-N 2.84Å; I195-G200 WeakPolarHBondContact CD1-O 3.28Å
201	D	98.3	Very high	96.8	Very high	41 Å²	41	37.1 Å²	37.1	22%	0.219	21%	0.212	C	C	.	.	S	Bend	trans	-111.9	-29.6	-171.3	-55.9	-77.7	0	0	0	112.7	S142 L144 A150 L151	S142-D201 WeakPolarHBondContact CB-OD1 3.41Å; S142-D201 PolarHBondContact OG-OD1 3.47Å; L144-D201 WeakPolarHBondContact CB-OD1 3.35Å; L144-D201 HydrophobicContact CD2-CB 4.36Å; A150-D201 WeakPolarHBondContact CA-OD2 3.48Å; A150-D201 HydrophobicContact CB-CB 3.91Å; L151-D201 PolarHBondContact N-OD2 3.48Å; L151-D201 PolarHBondContact O-N 3.24Å
202	I	97.7	Very high	96.7	Very high	69 Å²	69	38 Å²	38	35%	0.354	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	134.6	-179.9	-60.2	170	0	0	0	108.4	L147 V152 L153	L147-I202 HydrophobicContact CD1-CD1 3.59Å; V152-I202 CarbonylContact C-O 3.37Å; V152-I202 WeakPolarHBondContact CA-O 3.35Å; V152-I202 HydrophobicContact CG1-CB 4.33Å; V152-I202 HydrophobicContact CG1-CG2 4.32Å; V152-I202 HydrophobicContact CG2-CB 4.32Å; V152-I202 HydrophobicContact CG2-CD1 4.36Å; L153-I202 PolarHBondContact N-O 3.24Å
203	F	97.7	Very high	96.6	Very high	39 Å²	39	41.3 Å²	41.3	17%	0.171	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	136.6	162.6	169.6	-110.9	0	0	0	109.4	L153 A188 H191 M192 I195 E205 I208	L153-F203 HydrophobicContact CB-CB 4.21Å; L153-F203 HydrophobicContact CB-CD2 4.01Å; L153-F203 VanDerWaalsContact O-CA 3.29Å; L153-F203 WeakPolarHBondContact O-CA 3.36Å; L153-F203 WeakPolarHBondContact O-CD2 3.13Å; A188-F203 HydrophobicContact CB-CE1 4.32Å; A188-F203 HydrophobicContact CB-CZ 3.84Å; H191-F203 HydrophobicContact CB-CD1 4.49Å; H191-F203 HydrophobicContact CB-CD2 3.32Å; H191-F203 HydrophobicContact CB-CE2 3.47Å; H191-F203 VanDerWaalsContact CB-CE2 3.47Å; H191-F203 HydrophobicContact CB-CG 3.86Å; H191-F203 HydrophobicContact CB-CZ 4.12Å; H191-F203 AromaticContact CG-CD2 3.75Å; H191-F203 AromaticContact CG-CE2 3.63Å; H191-F203 AromaticContact ND1-CD2 3.99Å; H191-F203 AromaticContact ND1-CE2 3.4Å; H191-F203 WeakPolarHBondContact ND1-CE2 3.49Å; M192-F203 HydrophobicContact CG-CD1 3.29Å; M192-F203 HydrophobicContact CG-CE1 3.62Å; M192-F203 HydrophobicContact CG-CG 4.13Å; M192-F203 HydrophobicContact SD-CD1 4.13Å; M192-F203 HydrophobicContact SD-CE1 4.09Å; I195-F203 HydrophobicContact CD1-CB 4.2Å; I195-F203 HydrophobicContact CG1-CB 3.74Å; F203-E205 HydrophobicContact CE1-CB 4.31Å; F203-E205 HydrophobicContact CE2-CB 3.98Å; F203-E205 HydrophobicContact CZ-CB 3.56Å; F203-E205 WeakPolarHBondContact CZ-OE2 3.29Å; F203-I208 HydrophobicContact CE1-CD1 4.47Å
204	F	96.1	Very high	96.6	Very high	42 Å²	42	41.4 Å²	41.4	18%	0.184	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	142.3	167.2	74.9	-83.1	0	0	0	110.4	V152 L153 T154 I172 I175 F206	V152-F204 HydrophobicContact CG1-CD1 3.93Å; V152-F204 HydrophobicContact CG1-CE1 3.65Å; L153-F204 PolarHBondContact O-N 2.85Å; L153-F204 VanDerWaalsContact O-N 3.16Å; T154-F204 WeakPolarHBondContact CA-O 3.46Å; T154-F204 VanDerWaalsContact CB-O 3.3Å; T154-F204 WeakPolarHBondContact CB-O 3.47Å; T154-F204 HydrophobicContact CG2-CE1 4.4Å; T154-F204 HydrophobicContact CG2-CZ 4.26Å; T154-F204 WeakPolarHBondContact OG1-CE2 3.46Å; T154-F204 WeakPolarHBondContact OG1-CZ 2.93Å; T154-F204 PolarHBondContact OG1-O 3.36Å; I172-F204 HydrophobicContact CG1-CZ 4.08Å; I175-F204 HydrophobicContact CD1-CD1 4.03Å; I175-F204 HydrophobicContact CD1-CE1 3.3Å; I175-F204 HydrophobicContact CD1-CE2 4.19Å; I175-F204 HydrophobicContact CD1-CZ 3.39Å; F204-F206 HydrophobicContact CD2-CD2 4.19Å; F204-F206 AromaticContact CD2-CE2 3.68Å; F204-F206 HydrophobicContact CD2-CE2 3.68Å; F204-F206 HydrophobicContact CE2-CE2 4.09Å
205	E	95.2	Very high	96.6	Very high	32 Å²	32	40.8 Å²	40.8	15%	0.15	23%	0.227	C	C	.	.			trans	-152	147	172.8	-168.6	171.7	172.1	0	0	109.5	D155 G157 F203 I208	D155-E205 HydrophobicContact CB-CG 4.37Å; D155-E205 WeakPolarHBondContact CB-OE2 3.41Å; G157-E205 PolarHBondContact N-OE1 2.82Å; F203-E205 HydrophobicContact CE1-CB 4.31Å; F203-E205 HydrophobicContact CE2-CB 3.98Å; F203-E205 HydrophobicContact CZ-CB 3.56Å; F203-E205 WeakPolarHBondContact CZ-OE2 3.29Å; E205-I208 HydrophobicContact CB-CD1 4.4Å; E205-I208 HydrophobicContact CB-CG2 4.1Å; E205-I208 HydrophobicContact CG-CG2 3.65Å
206	F	92.1	Very high	96.6	Very high	100 Å²	100	40 Å²	40	44%	0.439	22%	0.223	S	C	.	.	S	Bend	trans	-117.7	134.9	-179.5	-63.7	-83.7	0	0	0	110.3	K168 F204	K168-F206 PolarHBondContact NZ-O 3.27Å; F204-F206 HydrophobicContact CD2-CD2 4.19Å; F204-F206 AromaticContact CD2-CE2 3.68Å; F204-F206 HydrophobicContact CD2-CE2 3.68Å; F204-F206 HydrophobicContact CE2-CE2 4.09Å
207	G	90.2	Very high	96.6	Very high	75 Å²	75	40.7 Å²	40.7	77%	0.773	23%	0.227	S	C	*	.	S	Bend	trans	89.7	18.7	-179.5	0	0	0	0	0	114.4
208	I	93.5	Very high	96.6	Very high	43 Å²	43	40 Å²	40	22%	0.221	22%	0.22	C	C	.	.			trans	-86.5	152.7	172.9	60	174.8	0	0	0	111.3	A188 F203 E205 D212 Y213	A188-I208 HydrophobicContact CB-CD1 4.42Å; A188-I208 HydrophobicContact CB-CG2 4.42Å; F203-I208 HydrophobicContact CE1-CD1 4.47Å; E205-I208 HydrophobicContact CB-CD1 4.4Å; E205-I208 HydrophobicContact CB-CG2 4.1Å; E205-I208 HydrophobicContact CG-CG2 3.65Å; I208-D212 WeakPolarHBondContact CA-OD2 3.38Å; I208-D212 HydrophobicContact CB-CB 4.16Å; I208-D212 WeakPolarHBondContact CB-OD2 3.47Å; I208-Y213 HydrophobicContact CD1-CD1 3.7Å; I208-Y213 HydrophobicContact CD1-CE1 4.47Å; I208-Y213 HydrophobicContact CD1-CG 4.47Å; I208-Y213 HydrophobicContact CG1-CD1 3.97Å; I208-Y213 HydrophobicContact CG1-CE1 4.32Å
209	H	93.9	Very high	96.6	Very high	97 Å²	97	38.6 Å²	38.6	45%	0.449	21%	0.207	S	C	.	.			trans	-98	167.8	179.6	-64	-81.8	0	0	0	111.8	W211 D212 Y213	H209-W211 VanDerWaalsContact C-N 3.27Å; H209-W211 HydrophobicContact CB-CD2 3.78Å; H209-W211 HydrophobicContact CB-CE3 4.29Å; H209-W211 HydrophobicContact CB-CG 4.33Å; H209-W211 HydrophobicContact CB-CH2 3.96Å; H209-W211 HydrophobicContact CB-CZ2 3.38Å; H209-W211 HydrophobicContact CB-CZ3 4.38Å; H209-W211 AromaticContact CD2-CZ2 3.85Å; H209-W211 AromaticContact CG-CE2 3.8Å; H209-W211 AromaticContact CG-CH2 3.97Å; H209-W211 AromaticContact CG-CZ2 3.39Å; H209-W211 AromaticContact ND1-CH2 3.99Å; H209-W211 AromaticContact ND1-CZ2 3.83Å; H209-W211 PolarHBondContact O-N 3.35Å; H209-D212 PolarHBondContact N-OD2 3.06Å; H209-D212 WeakPolarHBondContact O-CB 3.32Å; H209-D212 PolarHBondContact O-N 3.39Å; H209-Y213 WeakPolarHBondContact O-CD1 3.33Å; H209-Y213 WeakPolarHBondContact O-CE1 3.36Å
210	C	95.4	Very high	96.6	Very high	38 Å²	38	34.1 Å²	34.1	26%	0.257	18%	0.183	S	C	.	.	H	α-helix	trans	-62.8	-30.7	-174.8	66.8	0	0	0	0	114	D212 Y213 A214	C210-D212 VanDerWaalsContact C-N 3.33Å; C210-Y213 PolarHBondContact O-N 3.38Å; C210-A214 WeakPolarHBondContact O-CA 3.49Å; C210-A214 WeakPolarHBondContact O-CB 3.36Å; C210-A214 PolarHBondContact O-N 3.14Å
211	W	96.7	Very high	96.7	Very high	15 Å²	15	39.6 Å²	39.6	6%	0.057	20%	0.204	C	C	.	.	H	α-helix	trans	-68.5	-31.5	178.4	46.5	79.9	0	0	0	112.9	I63 E65 Y68 I81 I82 D83 H209 Y213	I63-W211 HydrophobicContact CG2-CE3 4.29Å; E65-W211 HydrophobicContact CB-CD2 3.96Å; E65-W211 HydrophobicContact CB-CG 3.96Å; E65-W211 HydrophobicContact CB-CZ2 4.38Å; E65-W211 HydrophobicContact CG-CD2 4.42Å; E65-W211 HydrophobicContact CG-CZ2 4.04Å; Y68-W211 AromaticContact CD1-CH2 3.77Å; Y68-W211 HydrophobicContact CD1-CH2 3.77Å; Y68-W211 HydrophobicContact CD1-CZ3 4.19Å; Y68-W211 HydrophobicContact CD2-CH2 4.48Å; Y68-W211 HydrophobicContact CD2-CZ3 4.06Å; Y68-W211 HydrophobicContact CE1-CH2 4.34Å; Y68-W211 AromaticContact CG-CH2 3.84Å; Y68-W211 HydrophobicContact CG-CH2 3.84Å; Y68-W211 AromaticContact CG-CZ3 3.83Å; Y68-W211 HydrophobicContact CG-CZ3 3.83Å; I81-W211 HydrophobicContact CG2-CB 4.09Å; I82-W211 VanDerWaalsContact O-CB 3.31Å; I82-W211 WeakPolarHBondContact O-CB 3.24Å; D83-W211 HydrophobicContact CB-CB 4.06Å; H209-W211 VanDerWaalsContact C-N 3.27Å; H209-W211 HydrophobicContact CB-CD2 3.78Å; H209-W211 HydrophobicContact CB-CE3 4.29Å; H209-W211 HydrophobicContact CB-CG 4.33Å; H209-W211 HydrophobicContact CB-CH2 3.96Å; H209-W211 HydrophobicContact CB-CZ2 3.38Å; H209-W211 HydrophobicContact CB-CZ3 4.38Å; H209-W211 AromaticContact CD2-CZ2 3.85Å; H209-W211 AromaticContact CG-CE2 3.8Å; H209-W211 AromaticContact CG-CH2 3.97Å; H209-W211 AromaticContact CG-CZ2 3.39Å; H209-W211 AromaticContact ND1-CH2 3.99Å; H209-W211 AromaticContact ND1-CZ2 3.83Å; H209-W211 PolarHBondContact O-N 3.35Å; W211-Y213 VanDerWaalsContact C-N 3.26Å; W211-Y213 PolarHBondContact O-N 3.11Å
212	D	97	Very high	96.7	Very high	17 Å²	17	39.6 Å²	39.6	9%	0.091	20%	0.202	C	C	.	.	H	α-helix	trans	-63.8	-28.6	178	-52.3	-29.9	0	0	0	113.1	A188 A189 I208 H209 C210	A188-D212 HydrophobicContact CB-CB 4.04Å; A189-D212 WeakPolarHBondContact CA-O 3.23Å; A189-D212 WeakPolarHBondContact CB-O 3.5Å; A189-D212 PolarHBondContact N-O 3.12Å; I208-D212 WeakPolarHBondContact CA-OD2 3.38Å; I208-D212 HydrophobicContact CB-CB 4.16Å; I208-D212 WeakPolarHBondContact CB-OD2 3.47Å; H209-D212 PolarHBondContact N-OD2 3.06Å; H209-D212 WeakPolarHBondContact O-CB 3.32Å; H209-D212 PolarHBondContact O-N 3.39Å; C210-D212 VanDerWaalsContact C-N 3.33Å
213	Y	97.3	Very high	96.7	Very high	85 Å²	85	36.3 Å²	36.3	33%	0.333	19%	0.185	S	C	.	.	H	α-helix	trans	-126.8	-16.6	-172.8	64.6	-104.8	0	0	0	115.8	I208 H209 C210 W211 A215 A216 V217	I208-Y213 HydrophobicContact CD1-CD1 3.7Å; I208-Y213 HydrophobicContact CD1-CE1 4.47Å; I208-Y213 HydrophobicContact CD1-CG 4.47Å; I208-Y213 HydrophobicContact CG1-CD1 3.97Å; I208-Y213 HydrophobicContact CG1-CE1 4.32Å; H209-Y213 WeakPolarHBondContact O-CD1 3.33Å; H209-Y213 WeakPolarHBondContact O-CE1 3.36Å; C210-Y213 PolarHBondContact O-N 3.38Å; W211-Y213 VanDerWaalsContact C-N 3.26Å; W211-Y213 PolarHBondContact O-N 3.11Å; Y213-A215 VanDerWaalsContact C-N 3.31Å; Y213-A215 PolarHBondContact O-N 2.53Å; Y213-A216 PolarHBondContact O-N 3.36Å; Y213-V217 HydrophobicContact CD2-CG2 3.7Å; Y213-V217 HydrophobicContact CG-CG2 4.49Å; Y213-V217 WeakPolarHBondContact O-CG2 3.49Å; Y213-V217 PolarHBondContact O-N 2.88Å
214	A	98	Very high	96.8	Very high	1 Å²	1	36.8 Å²	36.8	1%	0.008	20%	0.201	C	C	.	.	H	α-helix	trans	-54.7	-44.4	-170.8	0	0	0	0	0	113.1	I81 A103 Y105 C210	I81-A214 HydrophobicContact CB-CB 3.84Å; I81-A214 HydrophobicContact CD1-CB 3.87Å; I81-A214 HydrophobicContact CG1-CB 4.43Å; I81-A214 HydrophobicContact CG2-CB 3.69Å; A103-A214 HydrophobicContact CB-CB 3.98Å; Y105-A214 HydrophobicContact CE2-CB 3.89Å; Y105-A214 PolarHBondContact OH-O 2.91Å; C210-A214 WeakPolarHBondContact O-CA 3.49Å; C210-A214 WeakPolarHBondContact O-CB 3.36Å; C210-A214 PolarHBondContact O-N 3.14Å
215	A	98.7	Very high	96.9	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-68.2	-47.1	177	0	0	0	0	0	111	S101 A103 A113 V115 Y213 V217 L218 I219	S101-A215 VanDerWaalsContact OG-CB 3.22Å; S101-A215 WeakPolarHBondContact OG-CB 3.4Å; A103-A215 HydrophobicContact CB-CB 3.94Å; A113-A215 HydrophobicContact CB-CB 3.94Å; A113-A215 WeakPolarHBondContact CB-O 3.43Å; V115-A215 HydrophobicContact CG2-CB 3.73Å; Y213-A215 VanDerWaalsContact C-N 3.31Å; Y213-A215 PolarHBondContact O-N 2.53Å; A215-V217 VanDerWaalsContact C-N 3.3Å; A215-V217 PolarHBondContact O-N 3.19Å; A215-L218 PolarHBondContact O-N 2.93Å; A215-I219 WeakPolarHBondContact O-CG1 3.24Å; A215-I219 PolarHBondContact O-N 2.93Å
216	A	98.7	Very high	97	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-69	-26.3	-174.7	0	0	0	0	0	113.4	V115 M192 Y213 L218 I219 V220	V115-A216 HydrophobicContact CG2-CB 4.46Å; M192-A216 HydrophobicContact CB-CB 3.44Å; M192-A216 VanDerWaalsContact CB-CB 3.44Å; M192-A216 HydrophobicContact CE-CB 4.3Å; M192-A216 HydrophobicContact CG-CB 4.27Å; M192-A216 HydrophobicContact SD-CB 3.95Å; Y213-A216 PolarHBondContact O-N 3.36Å; A216-L218 PolarHBondContact O-N 3.09Å; A216-I219 PolarHBondContact O-N 3.26Å; A216-V220 WeakPolarHBondContact O-CG2 3.47Å; A216-V220 PolarHBondContact O-N 2.86Å
217	V	98.3	Very high	97.2	Very high	15 Å²	15	38.4 Å²	38.4	9%	0.091	22%	0.218	C	C	.	.	H	α-helix	trans	-58	-47.3	172.4	164.4	0	0	0	0	111.3	M192 Y213 A215 I219 V220 R221 C227	M192-V217 HydrophobicContact CE-CB 4.45Å; M192-V217 HydrophobicContact CE-CG2 3.72Å; Y213-V217 HydrophobicContact CD2-CG2 3.7Å; Y213-V217 HydrophobicContact CG-CG2 4.49Å; Y213-V217 WeakPolarHBondContact O-CG2 3.49Å; Y213-V217 PolarHBondContact O-N 2.88Å; A215-V217 VanDerWaalsContact C-N 3.3Å; A215-V217 PolarHBondContact O-N 3.19Å; V217-I219 VanDerWaalsContact C-N 3.34Å; V217-V220 PolarHBondContact O-N 2.86Å; V217-R221 HydrophobicContact CG1-CG 4.48Å; V217-R221 WeakPolarHBondContact O-CB 3.2Å; V217-R221 VanDerWaalsContact O-CG 3.29Å; V217-R221 WeakPolarHBondContact O-CG 3.35Å; V217-R221 PolarHBondContact O-N 3.46Å; V217-C227 HydrophobicContact CG1-CB 4.46Å; V217-C227 HydrophobicContact CG2-CB 4.37Å
218	L	98.7	Very high	97.5	Very high	4 Å²	4	38.5 Å²	38.5	2%	0.021	21%	0.205	C	C	.	.	H	α-helix	trans	-62.7	-45.2	177.3	-179.8	60.6	0	0	0	110.8	P110 A113 R128 A215 A216 V220 R221 E222	P110-L218 HydrophobicContact CB-CB 3.87Å; P110-L218 HydrophobicContact CB-CD1 4.3Å; P110-L218 HydrophobicContact CB-CD2 4.17Å; P110-L218 HydrophobicContact CB-CG 4.33Å; P110-L218 HydrophobicContact CG-CB 4.09Å; P110-L218 HydrophobicContact CG-CD1 4.15Å; A113-L218 HydrophobicContact CB-CB 3.94Å; A113-L218 HydrophobicContact CB-CD2 3.81Å; A113-L218 HydrophobicContact CB-CG 4.32Å; R128-L218 HydrophobicContact CB-CD1 4.24Å; A215-L218 PolarHBondContact O-N 2.93Å; A216-L218 PolarHBondContact O-N 3.09Å; L218-V220 VanDerWaalsContact C-N 3.33Å; L218-V220 PolarHBondContact O-N 2.97Å; L218-R221 PolarHBondContact O-N 3.19Å; L218-E222 HydrophobicContact CD1-CG 3.69Å; L218-E222 HydrophobicContact CG-CG 4.15Å; L218-E222 WeakPolarHBondContact O-CB 3.36Å; L218-E222 VanDerWaalsContact O-CG 3.31Å; L218-E222 WeakPolarHBondContact O-CG 3.31Å; L218-E222 PolarHBondContact O-N 3.08Å
219	I	98.9	Very high	97.3	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-60.1	-44	-179.1	-61	171.5	0	0	0	110.6	A113 V115 F124 A132 A196 A215 A216 V217 A223	A113-I219 HydrophobicContact CB-CD1 4.35Å; A113-I219 HydrophobicContact CB-CG1 4.09Å; V115-I219 HydrophobicContact CB-CD1 4.16Å; V115-I219 HydrophobicContact CG2-CD1 3.79Å; F124-I219 HydrophobicContact CB-CD1 3.97Å; F124-I219 HydrophobicContact CB-CG2 4.45Å; A132-I219 HydrophobicContact CB-CG2 4.08Å; A132-I219 VanDerWaalsContact CB-O 3.24Å; A132-I219 WeakPolarHBondContact CB-O 3.39Å; A196-I219 HydrophobicContact CB-CG2 3.71Å; A215-I219 WeakPolarHBondContact O-CG1 3.24Å; A215-I219 PolarHBondContact O-N 2.93Å; A216-I219 PolarHBondContact O-N 3.26Å; V217-I219 VanDerWaalsContact C-N 3.34Å; I219-A223 WeakPolarHBondContact O-CB 3.43Å; I219-A223 PolarHBondContact O-N 3.41Å
220	V	98.9	Very high	96.8	Very high	4 Å²	4	44.2 Å²	44.2	2%	0.024	23%	0.232	C	C	.	.	H	α-helix	trans	-65.5	-46.3	176.5	172	0	0	0	0	111.6	M192 A196 A216 V217 L218 E222 A223 G224 G225 C227	M192-V220 HydrophobicContact CB-CG2 4.05Å; M192-V220 HydrophobicContact CE-CG2 4.2Å; M192-V220 WeakPolarHBondContact O-CG2 3.42Å; A196-V220 HydrophobicContact CB-CG2 4.04Å; A216-V220 WeakPolarHBondContact O-CG2 3.47Å; A216-V220 PolarHBondContact O-N 2.86Å; V217-V220 PolarHBondContact O-N 2.86Å; L218-V220 VanDerWaalsContact C-N 3.33Å; L218-V220 PolarHBondContact O-N 2.97Å; V220-E222 PolarHBondContact O-N 3.21Å; V220-A223 PolarHBondContact O-N 3.18Å; V220-G224 PolarHBondContact O-N 3.12Å; V220-G225 WeakPolarHBondContact O-CA 3.15Å; V220-G225 PolarHBondContact O-N 3.41Å; V220-C227 WeakPolarHBondContact CG1-SG 3.37Å
221	R	98.6	Very high	96.2	Very high	115 Å²	115	48.5 Å²	48.5	43%	0.434	25%	0.252	S	S	.	.	H	α-helix	trans	-60.5	-46.3	179.7	-74.9	176.1	176	-174.3	-0.8	111.7	V217 L218 A223 G224	V217-R221 HydrophobicContact CG1-CG 4.48Å; V217-R221 WeakPolarHBondContact O-CB 3.2Å; V217-R221 VanDerWaalsContact O-CG 3.29Å; V217-R221 WeakPolarHBondContact O-CG 3.35Å; V217-R221 PolarHBondContact O-N 3.46Å; L218-R221 PolarHBondContact O-N 3.19Å; R221-A223 VanDerWaalsContact C-N 3.29Å; R221-A223 PolarHBondContact O-N 3.42Å; R221-G224 WeakPolarHBondContact O-CA 3.36Å; R221-G224 PolarHBondContact O-N 2.76Å
222	E	98.7	Very high	95.3	Very high	40 Å²	40	51.8 Å²	51.8	19%	0.187	29%	0.291	C	S	.	.	H	α-helix	trans	-70	-24.6	179.3	-69.1	-61.6	139.3	0	0	113.1	I127 R128 N129 Q130 G131 A132 L218 V220 G224	I127-E222 VanDerWaalsContact O-CD 3.23Å; I127-E222 VanDerWaalsContact O-OE2 3.1Å; R128-E222 WeakPolarHBondContact CA-OE1 3.43Å; N129-E222 WeakPolarHBondContact CA-OE2 3.29Å; N129-E222 PolarHBondContact N-OE1 2.94Å; N129-E222 PolarHBondContact N-OE2 2.93Å; N129-E222 VanDerWaalsContact N-OE2 3.09Å; Q130-E222 PolarHBondContact N-OE2 3.32Å; Q130-E222 VanDerWaalsContact N-OE2 3.12Å; G131-E222 VanDerWaalsContact C-CB 3.47Å; G131-E222 PolarHBondContact N-OE2 3.44Å; A132-E222 HydrophobicContact CB-CB 4.01Å; L218-E222 HydrophobicContact CD1-CG 3.69Å; L218-E222 HydrophobicContact CG-CG 4.15Å; L218-E222 WeakPolarHBondContact O-CB 3.36Å; L218-E222 VanDerWaalsContact O-CG 3.31Å; L218-E222 WeakPolarHBondContact O-CG 3.31Å; L218-E222 PolarHBondContact O-N 3.08Å; V220-E222 PolarHBondContact O-N 3.21Å; E222-G224 PolarHBondContact O-N 3.39Å
223	A	98.8	Very high	95.2	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-4	168.4	0	0	0	0	0	113.3	A132 H140 T141 A196 I219 V220 R221	A132-A223 HydrophobicContact CB-CB 3.95Å; H140-A223 WeakPolarHBondContact CA-O 3.34Å; T141-A223 HydrophobicContact CG2-CB 3.97Å; T141-A223 PolarHBondContact N-O 3.3Å; T141-A223 PolarHBondContact OG1-O 3.15Å; A196-A223 HydrophobicContact CB-CB 3.83Å; A196-A223 VanDerWaalsContact O-CB 3.3Å; A196-A223 WeakPolarHBondContact O-CB 3.35Å; I219-A223 WeakPolarHBondContact O-CB 3.43Å; I219-A223 PolarHBondContact O-N 3.41Å; V220-A223 PolarHBondContact O-N 3.18Å; R221-A223 VanDerWaalsContact C-N 3.29Å; R221-A223 PolarHBondContact O-N 3.42Å
224	G	98.5	Very high	95.1	Very high	49 Å²	49	51.9 Å²	51.9	51%	0.505	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	87.3	21.1	-177.4	0	0	0	0	0	114.1	T141 V220 R221 E222	T141-G224 PolarHBondContact OG1-O 2.85Å; V220-G224 PolarHBondContact O-N 3.12Å; R221-G224 WeakPolarHBondContact O-CA 3.36Å; R221-G224 PolarHBondContact O-N 2.76Å; E222-G224 PolarHBondContact O-N 3.39Å
225	G	98.2	Very high	94.9	Very high	23 Å²	23	54.7 Å²	54.7	24%	0.237	32%	0.316	C	S	.	.			trans	-90.3	175.1	172.6	0	0	0	0	0	113.3	V220	V220-G225 WeakPolarHBondContact O-CA 3.15Å; V220-G225 PolarHBondContact O-N 3.41Å
226	F	97.1	Very high	94.7	Very high	159 Å²	159	57.9 Å²	57.9	70%	0.697	33%	0.334	S	S	*	.			trans	-123.1	139.3	177.6	-180	-105.1	0	0	0	109.8	C228	F226-C228 HydrophobicContact CD1-CB 4.44Å; F226-C228 HydrophobicContact CE1-CB 3.54Å; F226-C228 HydrophobicContact CZ-CB 3.83Å
227	C	97.3	Very high	94.5	Very high	27 Å²	27	61.6 Å²	61.6	18%	0.182	36%	0.355	C	S	.	.			trans	-131	128.8	175.7	-56	0	0	0	0	108.7	V217 V220	V217-C227 HydrophobicContact CG1-CB 4.46Å; V217-C227 HydrophobicContact CG2-CB 4.37Å; V220-C227 WeakPolarHBondContact CG1-SG 3.37Å
228	C	95.6	Very high	94.2	Very high	76 Å²	76	64.7 Å²	64.7	51%	0.514	37%	0.373	S	S	.	.			trans	-137.4	166.6	175.2	63.5	0	0	0	0	110.1	F226 G232	F226-C228 HydrophobicContact CD1-CB 4.44Å; F226-C228 HydrophobicContact CE1-CB 3.54Å; F226-C228 HydrophobicContact CZ-CB 3.83Å; C228-G232 WeakPolarHBondContact CB-OXT 3.46Å
229	N	91.1	Very high	93.9	Very high	90 Å²	90	69 Å²	69	48%	0.481	40%	0.398	S	S	.	.			trans	-90	-164.1	164.4	68	4.8	0	0	0	109	D231 G232	N229-D231 VanDerWaalsContact C-N 3.26Å; N229-D231 PolarHBondContact O-N 3.33Å; N229-D231 WeakPolarHBondContact OD1-CB 3.47Å; N229-D231 PolarHBondContact OD1-N 2.94Å; N229-G232 PolarHBondContact OD1-OXT 2.98Å
230	F	82.3	Confident	93.5	Very high	170 Å²	170	74.3 Å²	74.3	75%	0.746	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74	-12.8	179.3	55.8	-96.1	0	0	0	114.2	G232	F230-G232 VanDerWaalsContact C-N 3.33Å
231	D	82.7	Confident	93	Very high	128 Å²	128	80.2 Å²	80.2	68%	0.684	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85	-7.5	178.5	-63.6	-43.1	0	0	0	112.9	N229	N229-D231 VanDerWaalsContact C-N 3.26Å; N229-D231 PolarHBondContact O-N 3.33Å; N229-D231 WeakPolarHBondContact OD1-CB 3.47Å; N229-D231 PolarHBondContact OD1-N 2.94Å
232	G	77.6	Confident	92.5	Very high	85 Å²	85	77 Å²	77	88%	0.876	47%	0.465	S	S	*	.			trans	92.2	0	-175.5	0	0	0	0	0	113.2	C228 N229 F230	C228-G232 WeakPolarHBondContact CB-OXT 3.46Å; N229-G232 PolarHBondContact OD1-OXT 2.98Å; F230-G232 VanDerWaalsContact C-N 3.33Å

Retrieved 232 of 232 residues in 83.7 ms (Link to these results)

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