A0A077ZIK1_TRITR Loading...

PRA-PH domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZIK1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 164 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	95.5	Very high	95	Very high	86 Å²	86	65.5 Å²	65.5	42%	0.424	36%	0.358	S	S	.	.				0	-90.4	0	-61.7	-160.6	-91.5	0	0	112.2	K3 E4 F5 F109 E110 H113	M1-K3 VanDerWaalsContact C-N 3.34Å; M1-K3 PolarHBondContact O-N 3.31Å; M1-E4 WeakPolarHBondContact O-CB 3.34Å; M1-E4 PolarHBondContact O-N 3.12Å; M1-E4 VanDerWaalsContact O-N 3.13Å; M1-F5 PolarHBondContact O-N 3.26Å; M1-F109 HydrophobicContact CB-CE1 3.7Å; M1-F109 HydrophobicContact CB-CZ 4.5Å; M1-F109 HydrophobicContact CE-CD1 3.37Å; M1-F109 HydrophobicContact CE-CE1 3.63Å; M1-F109 HydrophobicContact CG-CE1 4.29Å; M1-F109 HydrophobicContact SD-CD1 3.6Å; M1-F109 HydrophobicContact SD-CE1 3.74Å; M1-E110 HydrophobicContact CE-CG 4.2Å; M1-E110 HydrophobicContact SD-CG 4.14Å; M1-H113 WeakPolarHBondContact CA-CE1 3.47Å; M1-H113 WeakPolarHBondContact CA-ND1 3.49Å; M1-H113 HydrophobicContact CB-CB 4.26Å; M1-H113 HydrophobicContact CG-CB 4.13Å; M1-H113 PolarHBondContact O-CE1 3.13Å; M1-H113 VanDerWaalsContact O-CE1 3.25Å; M1-H113 HydrophobicContact SD-CB 3.68Å
2	A	95.3	Very high	94.8	Very high	64 Å²	64	66.4 Å²	66.4	53%	0.529	38%	0.38	S	S	.	.	H	α-helix	trans	-61.6	-35.2	-175.4	0	0	0	0	0	115	H6	A2-H6 PolarHBondContact O-CD2 3.48Å; A2-H6 PolarHBondContact O-N 3.47Å; A2-H6 VanDerWaalsContact O-N 3.13Å
3	K	94.9	Very high	94.7	Very high	138 Å²	138	64.5 Å²	64.5	60%	0.6	37%	0.372	S	S	*	.	H	α-helix	trans	-63.2	-48.4	173.8	-172.5	-177.5	177.7	-170.1	0	111.8	M1 F5 H6 E7 P13	M1-K3 VanDerWaalsContact C-N 3.34Å; M1-K3 PolarHBondContact O-N 3.31Å; K3-F5 VanDerWaalsContact C-N 3.32Å; K3-F5 PolarHBondContact O-N 3.21Å; K3-H6 CarbonylContact O-C 3.6Å; K3-H6 WeakPolarHBondContact O-CA 3.38Å; K3-H6 PolarHBondContact O-N 3.15Å; K3-E7 WeakPolarHBondContact CE-OE1 3.49Å; K3-E7 IonicContact NZ-OE1 3.28Å; K3-E7 WeakPolarHBondContact O-CG 3.4Å; K3-E7 PolarHBondContact O-N 3.06Å; K3-P13 HydrophobicContact CG-CG 3.97Å
4	E	96.2	Very high	94.7	Very high	83 Å²	83	66.4 Å²	66.4	39%	0.388	39%	0.387	S	S	.	.	H	α-helix	trans	-59.6	-41.1	176.9	175.2	-169.4	-171.9	0	0	111.9	M1 H6 E7 T8 H113 M117	M1-E4 WeakPolarHBondContact O-CB 3.34Å; M1-E4 PolarHBondContact O-N 3.12Å; M1-E4 VanDerWaalsContact O-N 3.13Å; E4-H6 VanDerWaalsContact C-N 3.31Å; E4-H6 PolarHBondContact O-N 3.43Å; E4-E7 PolarHBondContact O-N 3.02Å; E4-T8 WeakPolarHBondContact O-CB 3.29Å; E4-T8 PolarHBondContact O-N 3.1Å; E4-T8 PolarHBondContact O-OG1 2.96Å; E4-H113 IonicContact OE1-NE2 3.78Å; E4-H113 IonicContact OE2-CE1 3.82Å; E4-H113 PolarHBondContact OE2-CE1 3.47Å; E4-H113 VanDerWaalsContact OE2-CE1 3.28Å; E4-H113 IonicContact OE2-NE2 3.24Å; E4-H113 PolarHBondContact OE2-NE2 3.24Å; E4-M117 HydrophobicContact CG-CE 4.19Å; E4-M117 HydrophobicContact CG-SD 4.45Å
5	F	97.1	Very high	94.7	Very high	36 Å²	36	73.2 Å²	73.2	16%	0.158	42%	0.421	C	S	.	.	H	α-helix	trans	-56.6	-47.2	171.1	176.2	-94.2	0	0	0	110.6	M1 K3 E7 T8 F9 N116 M117 V135	M1-F5 PolarHBondContact O-N 3.26Å; K3-F5 VanDerWaalsContact C-N 3.32Å; K3-F5 PolarHBondContact O-N 3.21Å; F5-E7 PolarHBondContact O-N 3.26Å; F5-T8 PolarHBondContact O-N 3.47Å; F5-F9 HydrophobicContact CD1-CB 4.49Å; F5-F9 AromaticContact CD2-CD2 3.35Å; F5-F9 HydrophobicContact CD2-CD2 3.35Å; F5-F9 AromaticContact CD2-CE2 3.76Å; F5-F9 HydrophobicContact CD2-CE2 3.76Å; F5-F9 HydrophobicContact CD2-CG 4.16Å; F5-F9 HydrophobicContact CE1-CB 4.06Å; F5-F9 HydrophobicContact CE2-CB 4.15Å; F5-F9 HydrophobicContact CE2-CD1 4.41Å; F5-F9 AromaticContact CE2-CD2 3.3Å; F5-F9 HydrophobicContact CE2-CD2 3.3Å; F5-F9 AromaticContact CE2-CE2 3.71Å; F5-F9 HydrophobicContact CE2-CE2 3.71Å; F5-F9 AromaticContact CE2-CG 3.71Å; F5-F9 HydrophobicContact CE2-CG 3.71Å; F5-F9 HydrophobicContact CE2-CZ 4.42Å; F5-F9 HydrophobicContact CG-CD2 4.05Å; F5-F9 HydrophobicContact CZ-CB 3.88Å; F5-F9 AromaticContact CZ-CD2 3.94Å; F5-F9 HydrophobicContact CZ-CD2 3.94Å; F5-F9 AromaticContact CZ-CG 3.91Å; F5-F9 HydrophobicContact CZ-CG 3.91Å; F5-F9 WeakPolarHBondContact O-CA 3.38Å; F5-F9 WeakPolarHBondContact O-CB 3.22Å; F5-F9 WeakPolarHBondContact O-CD2 3.47Å; F5-F9 PolarHBondContact O-N 3.42Å; F5-N116 HydrophobicContact CD2-CB 3.8Å; F5-N116 HydrophobicContact CE2-CB 3.89Å; F5-M117 HydrophobicContact CB-SD 4.34Å; F5-M117 HydrophobicContact CD2-SD 4.36Å; F5-V135 HydrophobicContact CZ-CG2 4.17Å
6	H	95.6	Very high	94.8	Very high	37 Å²	37	77.1 Å²	77.1	17%	0.171	44%	0.439	C	S	.	.	H	α-helix	trans	-71.5	-25.5	179.1	-83.8	-60.8	0	0	0	114.3	A2 K3 E4 T8 F9 P11 A12 P13 R28	A2-H6 PolarHBondContact O-CD2 3.48Å; A2-H6 PolarHBondContact O-N 3.47Å; A2-H6 VanDerWaalsContact O-N 3.13Å; K3-H6 CarbonylContact O-C 3.6Å; K3-H6 WeakPolarHBondContact O-CA 3.38Å; K3-H6 PolarHBondContact O-N 3.15Å; E4-H6 VanDerWaalsContact C-N 3.31Å; E4-H6 PolarHBondContact O-N 3.43Å; H6-T8 VanDerWaalsContact C-N 3.3Å; H6-F9 CarbonylContact C-O 3.58Å; H6-F9 VanDerWaalsContact CA-O 3.31Å; H6-F9 WeakPolarHBondContact CA-O 3.41Å; H6-P11 PolarHBondContact ND1-O 3.23Å; H6-A12 WeakPolarHBondContact O-CA 3.43Å; H6-P13 HydrophobicContact CB-CG 3.75Å; H6-R28 PolarHBondContact CE1-NH1 2.97Å; H6-R28 PolarHBondContact NE2-NH1 2.85Å
7	E	94.7	Very high	95	Very high	118 Å²	118	79.1 Å²	79.1	55%	0.551	46%	0.456	S	S	*	.	H	α-helix	trans	-70.8	-29.7	171.1	-72.1	167.5	163.5	0	0	111.6	K3 E4 F5 P13	K3-E7 WeakPolarHBondContact CE-OE1 3.49Å; K3-E7 IonicContact NZ-OE1 3.28Å; K3-E7 WeakPolarHBondContact O-CG 3.4Å; K3-E7 PolarHBondContact O-N 3.06Å; E4-E7 PolarHBondContact O-N 3.02Å; F5-E7 PolarHBondContact O-N 3.26Å; E7-P13 HydrophobicContact CG-CG 4.4Å
8	T	95.7	Very high	95.1	Very high	45 Å²	45	83.7 Å²	83.7	28%	0.276	47%	0.47	S	S	.	.	H	α-helix	trans	-89.4	-39.2	179.5	-55.6	0	0	0	0	112.4	E4 F5 H6 M117 L120	E4-T8 WeakPolarHBondContact O-CB 3.29Å; E4-T8 PolarHBondContact O-N 3.1Å; E4-T8 PolarHBondContact O-OG1 2.96Å; F5-T8 PolarHBondContact O-N 3.47Å; H6-T8 VanDerWaalsContact C-N 3.3Å; T8-M117 HydrophobicContact CG2-CE 3.99Å; T8-M117 WeakPolarHBondContact OG1-CE 3.35Å; T8-L120 HydrophobicContact CG2-CD1 4Å; T8-L120 HydrophobicContact CG2-CD2 3.78Å; T8-L120 HydrophobicContact CG2-CG 4.11Å
9	F	96.2	Very high	95.3	Very high	0 Å²	0	80.8 Å²	80.8	0%	0	46%	0.457	C	S	.	.	S	Bend	trans	-117.9	123	-177.4	-59.3	-91.2	0	0	0	109.7	F5 H6 M117 K119 L120 P126 V135	F5-F9 HydrophobicContact CD1-CB 4.49Å; F5-F9 AromaticContact CD2-CD2 3.35Å; F5-F9 HydrophobicContact CD2-CD2 3.35Å; F5-F9 AromaticContact CD2-CE2 3.76Å; F5-F9 HydrophobicContact CD2-CE2 3.76Å; F5-F9 HydrophobicContact CD2-CG 4.16Å; F5-F9 HydrophobicContact CE1-CB 4.06Å; F5-F9 HydrophobicContact CE2-CB 4.15Å; F5-F9 HydrophobicContact CE2-CD1 4.41Å; F5-F9 AromaticContact CE2-CD2 3.3Å; F5-F9 HydrophobicContact CE2-CD2 3.3Å; F5-F9 AromaticContact CE2-CE2 3.71Å; F5-F9 HydrophobicContact CE2-CE2 3.71Å; F5-F9 AromaticContact CE2-CG 3.71Å; F5-F9 HydrophobicContact CE2-CG 3.71Å; F5-F9 HydrophobicContact CE2-CZ 4.42Å; F5-F9 HydrophobicContact CG-CD2 4.05Å; F5-F9 HydrophobicContact CZ-CB 3.88Å; F5-F9 AromaticContact CZ-CD2 3.94Å; F5-F9 HydrophobicContact CZ-CD2 3.94Å; F5-F9 AromaticContact CZ-CG 3.91Å; F5-F9 HydrophobicContact CZ-CG 3.91Å; F5-F9 WeakPolarHBondContact O-CA 3.38Å; F5-F9 WeakPolarHBondContact O-CB 3.22Å; F5-F9 WeakPolarHBondContact O-CD2 3.47Å; F5-F9 PolarHBondContact O-N 3.42Å; H6-F9 CarbonylContact C-O 3.58Å; H6-F9 VanDerWaalsContact CA-O 3.31Å; H6-F9 WeakPolarHBondContact CA-O 3.41Å; F9-M117 HydrophobicContact CE2-SD 4.11Å; F9-K119 HydrophobicContact CE1-CB 3.8Å; F9-K119 HydrophobicContact CZ-CB 3.77Å; F9-L120 HydrophobicContact CE1-CD2 4.16Å; F9-L120 HydrophobicContact CE1-CG 4.5Å; F9-L120 HydrophobicContact CZ-CD2 3.95Å; F9-L120 HydrophobicContact CZ-CG 3.87Å; F9-P126 HydrophobicContact CD1-CB 3.48Å; F9-P126 VanDerWaalsContact CD1-CB 3.48Å; F9-P126 HydrophobicContact CE1-CB 3.76Å; F9-P126 HydrophobicContact CG-CB 4.46Å; F9-V135 HydrophobicContact CB-CG2 4.1Å; F9-V135 HydrophobicContact CD1-CB 4.36Å; F9-V135 HydrophobicContact CD1-CG1 3.45Å; F9-V135 VanDerWaalsContact CD1-CG1 3.45Å; F9-V135 HydrophobicContact CD1-CG2 3.9Å; F9-V135 HydrophobicContact CE1-CG1 3.57Å; F9-V135 HydrophobicContact CG-CG1 4.42Å; F9-V135 HydrophobicContact CG-CG2 4.29Å
10	A	92	Very high	95.4	Very high	54 Å²	54	80.9 Å²	80.9	45%	0.446	45%	0.453	S	S	.	.	S	Bend	trans	-58.9	148.7	-178.4	0	0	0	0	0	112.4	Y128	A10-Y128 HydrophobicContact CB-CE1 4.33Å; A10-Y128 WeakPolarHBondContact CB-OH 3.23Å; A10-Y128 PolarHBondContact N-OH 3.17Å
11	P	92.1	Very high	95.5	Very high	60 Å²	60	80 Å²	80	39%	0.39	45%	0.452	S	S	.	.	S	Bend	cis	-83.7	149.3	-0.5	32.8	-33.5	0	0	0	113	H6	H6-P11 PolarHBondContact ND1-O 3.23Å
12	A	92	Very high	95.6	Very high	76 Å²	76	84.6 Å²	84.6	63%	0.628	47%	0.469	S	S	*	.	P	Polyproline II helix	trans	-66.7	145.3	173.6	0	0	0	0	0	111.9	H6	H6-A12 WeakPolarHBondContact O-CA 3.43Å
13	P	94.1	Very high	95.6	Very high	42 Å²	42	88 Å²	88	27%	0.273	47%	0.474	S	S	.	.	P	Polyproline II helix	trans	-63.1	150.5	172.6	-17.9	32.2	0	0	0	111.4	K3 H6 E7	K3-P13 HydrophobicContact CG-CG 3.97Å; H6-P13 HydrophobicContact CB-CG 3.75Å; E7-P13 HydrophobicContact CG-CG 4.4Å
14	P	94.8	Very high	95.6	Very high	90 Å²	90	84.7 Å²	84.7	58%	0.584	46%	0.458	S	S	*	.	P	Polyproline II helix	trans	-69.5	154.8	171.9	32.1	-35.4	0	0	0	111.1	L16	P14-L16 VanDerWaalsContact C-N 3.3Å; P14-L16 WeakPolarHBondContact CB-O 3.49Å; P14-L16 WeakPolarHBondContact CG-O 3.37Å
15	N	94.1	Very high	95.7	Very high	169 Å²	169	81.9 Å²	81.9	90%	0.904	45%	0.451	S	S	*	.	S	Bend	trans	-75.2	-19.6	176.3	-67.1	-30.1	0	0	0	113.4
16	L	96.9	Very high	95.7	Very high	135 Å²	135	84.3 Å²	84.3	71%	0.707	47%	0.473	S	S	*	.	S	Bend	trans	-126	147.8	179.2	-64	175.5	0	0	0	109.8	P14 K18	P14-L16 VanDerWaalsContact C-N 3.3Å; P14-L16 WeakPolarHBondContact CB-O 3.49Å; P14-L16 WeakPolarHBondContact CG-O 3.37Å; L16-K18 PolarHBondContact O-N 3.42Å
17	P	97.9	Very high	95.6	Very high	112 Å²	112	87.6 Å²	87.6	73%	0.727	49%	0.487	S	S	*	.			trans	-54.4	130.7	173	-24.8	34.7	0	0	0	111.3	L80	P17-L80 HydrophobicContact CB-CD2 3.63Å
18	K	97.3	Very high	95.6	Very high	162 Å²	162	85.1 Å²	85.1	70%	0.704	47%	0.472	S	S	*	.			trans	-152.6	131.7	-177.5	-171.9	-177.9	176.4	176.7	0	109.4	L16	L16-K18 PolarHBondContact O-N 3.42Å
19	A	98	Very high	95.7	Very high	28 Å²	28	85.3 Å²	85.3	23%	0.231	48%	0.479	C	S	.	.	P	Polyproline II helix	trans	-59.3	151.2	172.1	0	0	0	0	0	110.9	A79 L80 E83	A19-A79 HydrophobicContact CB-CB 4.09Å; A19-L80 HydrophobicContact CB-CB 4.11Å; A19-E83 WeakPolarHBondContact CA-OE2 3.46Å
20	F	97.5	Very high	95.6	Very high	83 Å²	83	87.2 Å²	87.2	36%	0.364	50%	0.498	S	S	.	.	P	Polyproline II helix	trans	-66.7	154.5	171.1	-72.9	-46.8	0	0	0	111.4	R24 R28 E83	F20-R24 HydrophobicContact CB-CB 4.23Å; F20-R24 HydrophobicContact CB-CG 4.39Å; F20-R24 HydrophobicContact CD1-CB 4.27Å; F20-R24 HydrophobicContact CD1-CG 3.54Å; F20-R24 HydrophobicContact CE1-CG 4.04Å; F20-R24 HydrophobicContact CG-CB 4.45Å; F20-R24 HydrophobicContact CG-CG 4.07Å; F20-R28 HydrophobicContact CE2-CG 4.5Å; F20-R28 HydrophobicContact CZ-CG 4.5Å; F20-E83 PolarHBondContact N-OE1 3.37Å; F20-E83 PolarHBondContact N-OE2 3.21Å
21	S	97.2	Very high	95.7	Very high	61 Å²	61	88.6 Å²	88.6	43%	0.427	49%	0.494	S	S	.	.	P	Polyproline II helix	trans	-68.4	160.6	159.9	84.8	0	0	0	0	109.1	E23 R24 G25	S21-E23 VanDerWaalsContact C-N 3.25Å; S21-E23 VanDerWaalsContact CB-OE2 3.32Å; S21-E23 WeakPolarHBondContact CB-OE2 3.49Å; S21-E23 PolarHBondContact O-N 3.48Å; S21-E23 PolarHBondContact OG-OE2 2.99Å; S21-R24 PolarHBondContact O-N 2.94Å; S21-R24 VanDerWaalsContact O-N 3.13Å; S21-R24 PolarHBondContact OG-N 3.12Å; S21-G25 PolarHBondContact O-N 3.06Å
22	K	97.4	Very high	95.9	Very high	184 Å²	184	89.1 Å²	89.1	80%	0.8	49%	0.49	S	S	*	.	H	α-helix	trans	-55.6	-43.5	178.3	-62.2	176.6	-176.4	177.7	0	111.6	G25 S26	K22-G25 PolarHBondContact O-N 3.43Å; K22-S26 WeakPolarHBondContact O-CB 3.25Å; K22-S26 PolarHBondContact O-N 2.74Å
23	E	96.5	Very high	96.1	Very high	135 Å²	135	87.9 Å²	87.9	63%	0.631	48%	0.48	S	S	*	.	H	α-helix	trans	-65	-44.3	179.4	-54	71.1	-151.2	0	0	110.6	S21 F27	S21-E23 VanDerWaalsContact C-N 3.25Å; S21-E23 VanDerWaalsContact CB-OE2 3.32Å; S21-E23 WeakPolarHBondContact CB-OE2 3.49Å; S21-E23 PolarHBondContact O-N 3.48Å; S21-E23 PolarHBondContact OG-OE2 2.99Å; E23-F27 VanDerWaalsContact O-CB 3.25Å; E23-F27 WeakPolarHBondContact O-CB 3.42Å; E23-F27 PolarHBondContact O-N 2.85Å
24	R	94.9	Very high	96.2	Very high	69 Å²	69	90.2 Å²	90.2	26%	0.26	49%	0.487	S	S	.	.	H	α-helix	trans	-69.5	-40.3	179.7	-173	61.4	172.1	176.9	2.7	111.7	F20 S21 F27 R28	F20-R24 HydrophobicContact CB-CB 4.23Å; F20-R24 HydrophobicContact CB-CG 4.39Å; F20-R24 HydrophobicContact CD1-CB 4.27Å; F20-R24 HydrophobicContact CD1-CG 3.54Å; F20-R24 HydrophobicContact CE1-CG 4.04Å; F20-R24 HydrophobicContact CG-CB 4.45Å; F20-R24 HydrophobicContact CG-CG 4.07Å; S21-R24 PolarHBondContact O-N 2.94Å; S21-R24 VanDerWaalsContact O-N 3.13Å; S21-R24 PolarHBondContact OG-N 3.12Å; R24-F27 PolarHBondContact O-N 3.41Å; R24-R28 HydrophobicContact CG-CG 4.5Å; R24-R28 WeakPolarHBondContact O-CB 3.41Å; R24-R28 VanDerWaalsContact O-CG 3.31Å; R24-R28 WeakPolarHBondContact O-CG 3.47Å; R24-R28 PolarHBondContact O-N 2.89Å
25	G	97	Very high	96.4	Very high	24 Å²	24	91.8 Å²	91.8	25%	0.247	49%	0.487	C	S	.	.	H	α-helix	trans	-59.8	-51.1	175.7	0	0	0	0	0	111.1	S21 K22 F27 R28 A29	S21-G25 PolarHBondContact O-N 3.06Å; K22-G25 PolarHBondContact O-N 3.43Å; G25-F27 PolarHBondContact O-N 2.62Å; G25-R28 PolarHBondContact O-N 3.02Å; G25-A29 PolarHBondContact O-N 3.45Å
26	S	97.1	Very high	96.6	Very high	87 Å²	87	87.1 Å²	87.1	61%	0.608	46%	0.461	S	S	*	.	H	α-helix	trans	-58.5	-48.4	175.4	-179.6	0	0	0	0	112	K22 R28 A29 G30	K22-S26 WeakPolarHBondContact O-CB 3.25Å; K22-S26 PolarHBondContact O-N 2.74Å; S26-R28 VanDerWaalsContact C-N 3.33Å; S26-R28 PolarHBondContact O-N 3.3Å; S26-A29 WeakPolarHBondContact O-CB 3.35Å; S26-A29 PolarHBondContact O-N 3.2Å; S26-A29 VanDerWaalsContact O-N 3.08Å; S26-G30 PolarHBondContact O-N 3.45Å
27	F	94.4	Very high	96.6	Very high	106 Å²	106	83 Å²	83	47%	0.465	44%	0.441	S	S	.	.	H	α-helix	trans	-58.3	-42.6	177.1	-178.9	-103.4	0	0	0	112.6	E23 R24 G25 A29 G30 F31	E23-F27 VanDerWaalsContact O-CB 3.25Å; E23-F27 WeakPolarHBondContact O-CB 3.42Å; E23-F27 PolarHBondContact O-N 2.85Å; R24-F27 PolarHBondContact O-N 3.41Å; G25-F27 PolarHBondContact O-N 2.62Å; F27-A29 VanDerWaalsContact C-N 3.34Å; F27-G30 PolarHBondContact O-N 2.93Å; F27-F31 HydrophobicContact CD1-CE2 4.01Å; F27-F31 HydrophobicContact CD1-CZ 4.22Å; F27-F31 HydrophobicContact CE1-CE1 4.41Å; F27-F31 AromaticContact CE1-CE2 3.49Å; F27-F31 HydrophobicContact CE1-CE2 3.49Å; F27-F31 VanDerWaalsContact CE1-CE2 3.49Å; F27-F31 AromaticContact CE1-CZ 3.35Å; F27-F31 HydrophobicContact CE1-CZ 3.35Å; F27-F31 HydrophobicContact CE2-CZ 4.33Å; F27-F31 HydrophobicContact CZ-CE1 4.16Å; F27-F31 HydrophobicContact CZ-CE2 4.06Å; F27-F31 AromaticContact CZ-CZ 3.42Å; F27-F31 HydrophobicContact CZ-CZ 3.42Å; F27-F31 VanDerWaalsContact CZ-CZ 3.42Å
28	R	94.8	Very high	96.6	Very high	65 Å²	65	83.2 Å²	83.2	25%	0.245	43%	0.433	C	S	.	.	H	α-helix	trans	-74	-22.6	177.5	-69.1	-141.5	74.6	117.8	5.6	113.6	H6 F20 R24 G25 S26 K32	H6-R28 PolarHBondContact CE1-NH1 2.97Å; H6-R28 PolarHBondContact NE2-NH1 2.85Å; F20-R28 HydrophobicContact CE2-CG 4.5Å; F20-R28 HydrophobicContact CZ-CG 4.5Å; R24-R28 HydrophobicContact CG-CG 4.5Å; R24-R28 WeakPolarHBondContact O-CB 3.41Å; R24-R28 VanDerWaalsContact O-CG 3.31Å; R24-R28 WeakPolarHBondContact O-CG 3.47Å; R24-R28 PolarHBondContact O-N 2.89Å; G25-R28 PolarHBondContact O-N 3.02Å; S26-R28 VanDerWaalsContact C-N 3.33Å; S26-R28 PolarHBondContact O-N 3.3Å; R28-K32 PolarHBondContact O-NZ 3.4Å
29	A	96.9	Very high	96.7	Very high	50 Å²	50	81.1 Å²	81.1	41%	0.413	42%	0.424	S	S	.	.	H	α-helix	trans	-70.9	-38.2	171	0	0	0	0	0	110.7	G25 S26 F27 F31 K32 A33	G25-A29 PolarHBondContact O-N 3.45Å; S26-A29 WeakPolarHBondContact O-CB 3.35Å; S26-A29 PolarHBondContact O-N 3.2Å; S26-A29 VanDerWaalsContact O-N 3.08Å; F27-A29 VanDerWaalsContact C-N 3.34Å; A29-F31 VanDerWaalsContact C-N 3.31Å; A29-F31 PolarHBondContact O-N 2.87Å; A29-K32 WeakPolarHBondContact O-CA 3.42Å; A29-K32 WeakPolarHBondContact O-CB 3.31Å; A29-K32 PolarHBondContact O-N 3.13Å; A29-A33 PolarHBondContact O-N 3.24Å; A29-A33 VanDerWaalsContact O-N 3.09Å
30	G	95.8	Very high	96.7	Very high	39 Å²	39	81 Å²	81	40%	0.402	42%	0.419	S	S	.	.	H	α-helix	trans	-53.9	-42.2	176	0	0	0	0	0	113.9	S26 F27 K32 A33 E34	S26-G30 PolarHBondContact O-N 3.45Å; F27-G30 PolarHBondContact O-N 2.93Å; G30-K32 VanDerWaalsContact C-N 3.25Å; G30-K32 PolarHBondContact O-N 3.47Å; G30-A33 WeakPolarHBondContact O-CB 3.33Å; G30-A33 PolarHBondContact O-N 3.38Å; G30-A33 VanDerWaalsContact O-N 3.15Å; G30-E34 PolarHBondContact O-N 3.43Å
31	F	93	Very high	96.8	Very high	84 Å²	84	82 Å²	82	37%	0.368	42%	0.421	S	S	.	.	H	α-helix	trans	-59.1	-36.5	174.3	-64.8	-42.3	0	0	0	113.1	F27 A29 E34 E35	F27-F31 HydrophobicContact CD1-CE2 4.01Å; F27-F31 HydrophobicContact CD1-CZ 4.22Å; F27-F31 HydrophobicContact CE1-CE1 4.41Å; F27-F31 AromaticContact CE1-CE2 3.49Å; F27-F31 HydrophobicContact CE1-CE2 3.49Å; F27-F31 VanDerWaalsContact CE1-CE2 3.49Å; F27-F31 AromaticContact CE1-CZ 3.35Å; F27-F31 HydrophobicContact CE1-CZ 3.35Å; F27-F31 HydrophobicContact CE2-CZ 4.33Å; F27-F31 HydrophobicContact CZ-CE1 4.16Å; F27-F31 HydrophobicContact CZ-CE2 4.06Å; F27-F31 AromaticContact CZ-CZ 3.42Å; F27-F31 HydrophobicContact CZ-CZ 3.42Å; F27-F31 VanDerWaalsContact CZ-CZ 3.42Å; A29-F31 VanDerWaalsContact C-N 3.31Å; A29-F31 PolarHBondContact O-N 2.87Å; F31-E34 PolarHBondContact O-N 3.22Å; F31-E35 WeakPolarHBondContact O-CG 3.41Å; F31-E35 PolarHBondContact O-N 3Å
32	K	95.9	Very high	96.8	Very high	71 Å²	71	81.6 Å²	81.6	31%	0.309	43%	0.427	S	S	.	.	H	α-helix	trans	-73.1	-34.9	179.5	-55.6	176.9	-174.3	77.5	0	110.8	R28 A29 G30 E34 E35 I36 L90	R28-K32 PolarHBondContact O-NZ 3.4Å; A29-K32 WeakPolarHBondContact O-CA 3.42Å; A29-K32 WeakPolarHBondContact O-CB 3.31Å; A29-K32 PolarHBondContact O-N 3.13Å; G30-K32 VanDerWaalsContact C-N 3.25Å; G30-K32 PolarHBondContact O-N 3.47Å; K32-E34 VanDerWaalsContact C-N 3.35Å; K32-E35 PolarHBondContact O-N 2.9Å; K32-I36 WeakPolarHBondContact O-CD1 3.35Å; K32-I36 WeakPolarHBondContact O-CG1 3.28Å; K32-I36 PolarHBondContact O-N 3.42Å; K32-L90 HydrophobicContact CD-CD1 3.89Å
33	A	97.2	Very high	96.8	Very high	49 Å²	49	76.4 Å²	76.4	41%	0.405	41%	0.41	S	S	.	.	H	α-helix	trans	-62.7	-42.6	174.1	0	0	0	0	0	111.4	A29 G30 E35 I36 V37	A29-A33 PolarHBondContact O-N 3.24Å; A29-A33 VanDerWaalsContact O-N 3.09Å; G30-A33 WeakPolarHBondContact O-CB 3.33Å; G30-A33 PolarHBondContact O-N 3.38Å; G30-A33 VanDerWaalsContact O-N 3.15Å; A33-E35 PolarHBondContact O-N 3.47Å; A33-I36 PolarHBondContact O-N 3.08Å; A33-V37 VanDerWaalsContact O-CG2 3.28Å; A33-V37 WeakPolarHBondContact O-CG2 3.18Å; A33-V37 PolarHBondContact O-N 2.89Å
34	E	96.4	Very high	96.9	Very high	92 Å²	92	70.1 Å²	70.1	43%	0.43	38%	0.382	S	S	.	.	H	α-helix	trans	-55.5	-51.3	174.3	-172.4	174.3	-178.2	0	0	111.1	G30 F31 K32 I36 V37 E38	G30-E34 PolarHBondContact O-N 3.43Å; F31-E34 PolarHBondContact O-N 3.22Å; K32-E34 VanDerWaalsContact C-N 3.35Å; E34-I36 VanDerWaalsContact C-N 3.35Å; E34-I36 PolarHBondContact O-N 3.42Å; E34-V37 PolarHBondContact O-N 3.19Å; E34-V37 VanDerWaalsContact O-N 3.16Å; E34-E38 PolarHBondContact O-N 3.15Å
35	E	97.7	Very high	97.1	Very high	122 Å²	122	75.8 Å²	75.8	57%	0.57	41%	0.411	S	S	*	.	H	α-helix	trans	-64.7	-35.2	179.4	-57.1	-67.1	169.6	0	0	112.9	F31 K32 A33 F39	F31-E35 WeakPolarHBondContact O-CG 3.41Å; F31-E35 PolarHBondContact O-N 3Å; K32-E35 PolarHBondContact O-N 2.9Å; A33-E35 PolarHBondContact O-N 3.47Å; E35-F39 WeakPolarHBondContact O-CB 3.45Å; E35-F39 PolarHBondContact O-N 3.42Å
36	I	98.3	Very high	97.1	Very high	71 Å²	71	75.8 Å²	75.8	36%	0.364	41%	0.411	S	S	.	.	H	α-helix	trans	-66.3	-41.1	174.7	-69.4	163.7	0	0	0	110.4	K32 A33 E34 F39 L40 L58	K32-I36 WeakPolarHBondContact O-CD1 3.35Å; K32-I36 WeakPolarHBondContact O-CG1 3.28Å; K32-I36 PolarHBondContact O-N 3.42Å; A33-I36 PolarHBondContact O-N 3.08Å; E34-I36 VanDerWaalsContact C-N 3.35Å; E34-I36 PolarHBondContact O-N 3.42Å; I36-F39 WeakPolarHBondContact O-CB 3.35Å; I36-F39 PolarHBondContact O-N 3.43Å; I36-L40 WeakPolarHBondContact O-CG 3.26Å; I36-L40 PolarHBondContact O-N 2.93Å; I36-L58 HydrophobicContact CG2-CD1 4.04Å; I36-L58 HydrophobicContact CG2-CD2 3.6Å; I36-L58 HydrophobicContact CG2-CG 4.49Å
37	V	98.3	Very high	97.2	Very high	49 Å²	49	75.3 Å²	75.3	30%	0.297	40%	0.402	S	S	.	.	H	α-helix	trans	-65.9	-43.7	177.4	171.8	0	0	0	0	110.6	A33 E34 F39 L40 Y41 F51 L58	A33-V37 VanDerWaalsContact O-CG2 3.28Å; A33-V37 WeakPolarHBondContact O-CG2 3.18Å; A33-V37 PolarHBondContact O-N 2.89Å; E34-V37 PolarHBondContact O-N 3.19Å; E34-V37 VanDerWaalsContact O-N 3.16Å; V37-F39 VanDerWaalsContact C-N 3.34Å; V37-F39 PolarHBondContact O-N 3.16Å; V37-L40 PolarHBondContact O-N 3.23Å; V37-Y41 PolarHBondContact O-N 3.41Å; V37-F51 HydrophobicContact CG1-CE2 3.8Å; V37-F51 HydrophobicContact CG1-CZ 3.57Å; V37-F51 WeakPolarHBondContact O-CE2 3.35Å; V37-L58 HydrophobicContact CG2-CD2 4.42Å
38	E	98.1	Very high	97.4	Very high	116 Å²	116	77.4 Å²	77.4	54%	0.542	41%	0.413	S	S	.	.	H	α-helix	trans	-62.6	-39.8	174.1	-71.3	-166.4	-175.6	0	0	112.3	E34 L40 Y41 G42	E34-E38 PolarHBondContact O-N 3.15Å; E38-L40 VanDerWaalsContact C-N 3.34Å; E38-L40 PolarHBondContact O-N 2.89Å; E38-Y41 WeakPolarHBondContact O-CB 3.45Å; E38-Y41 PolarHBondContact O-N 2.9Å; E38-G42 PolarHBondContact O-N 3.4Å
39	F	98.1	Very high	97.6	Very high	119 Å²	119	77.6 Å²	77.6	52%	0.522	43%	0.428	S	S	.	.	H	α-helix	trans	-57.6	-46.2	172.7	167.6	-101.9	0	0	0	111.6	E35 I36 V37 Y41 G42 V43	E35-F39 WeakPolarHBondContact O-CB 3.45Å; E35-F39 PolarHBondContact O-N 3.42Å; I36-F39 WeakPolarHBondContact O-CB 3.35Å; I36-F39 PolarHBondContact O-N 3.43Å; V37-F39 VanDerWaalsContact C-N 3.34Å; V37-F39 PolarHBondContact O-N 3.16Å; F39-Y41 VanDerWaalsContact C-N 3.32Å; F39-Y41 PolarHBondContact O-N 3.04Å; F39-G42 CarbonylContact O-C 3.41Å; F39-G42 WeakPolarHBondContact O-CA 3.2Å; F39-G42 PolarHBondContact O-N 3.26Å; F39-G42 VanDerWaalsContact O-N 3.15Å; F39-V43 HydrophobicContact CD1-CG2 4.27Å; F39-V43 HydrophobicContact CD2-CG2 4.41Å; F39-V43 HydrophobicContact CE1-CG2 3.78Å; F39-V43 HydrophobicContact CE2-CG2 3.93Å; F39-V43 HydrophobicContact CZ-CG2 3.58Å; F39-V43 WeakPolarHBondContact O-CG2 3.36Å; F39-V43 PolarHBondContact O-N 3.35Å
40	L	98.6	Very high	97.6	Very high	24 Å²	24	80.7 Å²	80.7	13%	0.126	43%	0.434	C	S	.	.	H	α-helix	trans	-65.4	-34.7	177.7	-68.4	179	0	0	0	112.6	I36 V37 E38 G42 V43 A44 F51 L54 V55 L58	I36-L40 WeakPolarHBondContact O-CG 3.26Å; I36-L40 PolarHBondContact O-N 2.93Å; V37-L40 PolarHBondContact O-N 3.23Å; E38-L40 VanDerWaalsContact C-N 3.34Å; E38-L40 PolarHBondContact O-N 2.89Å; L40-G42 VanDerWaalsContact C-N 3.3Å; L40-G42 PolarHBondContact O-N 3.26Å; L40-V43 PolarHBondContact O-N 2.85Å; L40-A44 WeakPolarHBondContact O-CB 3.31Å; L40-A44 PolarHBondContact O-N 3.01Å; L40-F51 HydrophobicContact CB-CD2 4.39Å; L40-F51 HydrophobicContact CB-CE2 4.44Å; L40-L54 HydrophobicContact CB-CB 4.44Å; L40-L54 HydrophobicContact CD1-CB 4.31Å; L40-L54 HydrophobicContact CD2-CB 4.36Å; L40-V55 HydrophobicContact CD1-CG2 4.41Å; L40-L58 HydrophobicContact CD1-CB 4.12Å; L40-L58 HydrophobicContact CD1-CD2 4.04Å
41	Y	98.7	Very high	97.8	Very high	105 Å²	105	81.1 Å²	81.1	41%	0.412	43%	0.425	S	S	.	.	H	α-helix	trans	-63.7	-38.3	172.8	-169.4	-114	0	0	0	111.7	V37 E38 F39 A44 E45 G46 F51	V37-Y41 PolarHBondContact O-N 3.41Å; E38-Y41 WeakPolarHBondContact O-CB 3.45Å; E38-Y41 PolarHBondContact O-N 2.9Å; F39-Y41 VanDerWaalsContact C-N 3.32Å; F39-Y41 PolarHBondContact O-N 3.04Å; Y41-A44 PolarHBondContact O-N 2.86Å; Y41-E45 PolarHBondContact O-N 2.75Å; Y41-G46 PolarHBondContact O-N 2.75Å; Y41-G46 VanDerWaalsContact O-N 3.11Å; Y41-G46 PolarHBondContact OH-O 3.4Å; Y41-F51 HydrophobicContact CD2-CB 4.07Å; Y41-F51 AromaticContact CD2-CD1 3.95Å; Y41-F51 HydrophobicContact CD2-CD1 3.95Å; Y41-F51 AromaticContact CD2-CD2 3.89Å; Y41-F51 HydrophobicContact CD2-CD2 3.89Å; Y41-F51 HydrophobicContact CD2-CE1 4.35Å; Y41-F51 HydrophobicContact CD2-CE2 4.29Å; Y41-F51 AromaticContact CD2-CG 3.69Å; Y41-F51 HydrophobicContact CD2-CG 3.69Å; Y41-F51 HydrophobicContact CD2-CZ 4.5Å; Y41-F51 HydrophobicContact CE2-CD1 4.5Å; Y41-F51 HydrophobicContact CE2-CG 4.49Å; Y41-F51 HydrophobicContact CG-CD2 4.4Å
42	G	98	Very high	98.1	Very high	53 Å²	53	80.1 Å²	80.1	55%	0.546	43%	0.428	S	S	.	.	H	α-helix	trans	-65.2	-39.2	171	0	0	0	0	0	113.4	E38 F39 L40 A44 E45	E38-G42 PolarHBondContact O-N 3.4Å; F39-G42 CarbonylContact O-C 3.41Å; F39-G42 WeakPolarHBondContact O-CA 3.2Å; F39-G42 PolarHBondContact O-N 3.26Å; F39-G42 VanDerWaalsContact O-N 3.15Å; L40-G42 VanDerWaalsContact C-N 3.3Å; L40-G42 PolarHBondContact O-N 3.26Å; G42-A44 VanDerWaalsContact C-N 3.35Å; G42-E45 PolarHBondContact O-N 2.94Å
43	V	98.2	Very high	98.2	Very high	75 Å²	75	81.6 Å²	81.6	46%	0.455	44%	0.44	S	S	.	.	H	α-helix	trans	-64.1	-39.4	174.6	170.5	0	0	0	0	111.6	F39 L40 E45 L54	F39-V43 HydrophobicContact CD1-CG2 4.27Å; F39-V43 HydrophobicContact CD2-CG2 4.41Å; F39-V43 HydrophobicContact CE1-CG2 3.78Å; F39-V43 HydrophobicContact CE2-CG2 3.93Å; F39-V43 HydrophobicContact CZ-CG2 3.58Å; F39-V43 WeakPolarHBondContact O-CG2 3.36Å; F39-V43 PolarHBondContact O-N 3.35Å; L40-V43 PolarHBondContact O-N 2.85Å; V43-E45 PolarHBondContact O-N 2.79Å; V43-L54 HydrophobicContact CB-CD1 4.42Å; V43-L54 HydrophobicContact CG1-CD1 4Å
44	A	98.6	Very high	98.3	Very high	3 Å²	3	81.4 Å²	81.4	3%	0.025	43%	0.432	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.2	1.9	176	0	0	0	0	0	113.5	L40 Y41 G42 G46 D47 E50 F51 L54	L40-A44 WeakPolarHBondContact O-CB 3.31Å; L40-A44 PolarHBondContact O-N 3.01Å; Y41-A44 PolarHBondContact O-N 2.86Å; G42-A44 VanDerWaalsContact C-N 3.35Å; A44-G46 PolarHBondContact O-N 2.86Å; A44-D47 WeakPolarHBondContact O-CB 3.45Å; A44-D47 PolarHBondContact O-N 2.59Å; A44-E50 HydrophobicContact CB-CB 4.21Å; A44-F51 HydrophobicContact CB-CB 3.84Å; A44-L54 HydrophobicContact CB-CD1 4.14Å
45	E	97.9	Very high	98.4	Very high	187 Å²	187	78.1 Å²	78.1	87%	0.874	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.5	26.3	-175.7	-57.5	-174.8	-133.8	0	0	113.4	Y41 G42 V43	Y41-E45 PolarHBondContact O-N 2.75Å; G42-E45 PolarHBondContact O-N 2.94Å; V43-E45 PolarHBondContact O-N 2.79Å
46	G	97.3	Very high	98.4	Very high	25 Å²	25	77.1 Å²	77.1	26%	0.258	41%	0.413	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.1	2.4	-176.3	0	0	0	0	0	116	Y41 A44 E48	Y41-G46 PolarHBondContact O-N 2.75Å; Y41-G46 VanDerWaalsContact O-N 3.11Å; Y41-G46 PolarHBondContact OH-O 3.4Å; A44-G46 PolarHBondContact O-N 2.86Å; G46-E48 PolarHBondContact O-N 2.71Å
47	D	98.7	Very high	98.4	Very high	77 Å²	77	79.3 Å²	79.3	41%	0.412	42%	0.42	S	S	.	.			trans	-67.1	116.3	172.2	-173.7	-74.2	0	0	0	110.3	A44 A49 E50 F51	A44-D47 WeakPolarHBondContact O-CB 3.45Å; A44-D47 PolarHBondContact O-N 2.59Å; D47-A49 VanDerWaalsContact C-N 3.33Å; D47-A49 PolarHBondContact O-N 2.93Å; D47-A49 WeakPolarHBondContact OD1-CA 3.39Å; D47-A49 WeakPolarHBondContact OD1-CB 3.31Å; D47-A49 PolarHBondContact OD1-N 3.43Å; D47-E50 HydrophobicContact CB-CB 4.21Å; D47-E50 HydrophobicContact CB-CG 4.36Å; D47-E50 PolarHBondContact OD1-N 2.93Å; D47-F51 WeakPolarHBondContact O-CB 3.32Å; D47-F51 PolarHBondContact O-N 3.47Å
48	E	98.5	Very high	98.4	Very high	150 Å²	150	79.1 Å²	79.1	70%	0.701	42%	0.417	S	S	*	.	H	α-helix	trans	-68.8	-30.3	-173.5	-65.9	-175.3	-175	0	0	113.1	G46 S52	G46-E48 PolarHBondContact O-N 2.71Å; E48-S52 WeakPolarHBondContact O-CB 3.35Å; E48-S52 PolarHBondContact O-N 3.41Å
49	A	98.6	Very high	98.5	Very high	68 Å²	68	78.5 Å²	78.5	56%	0.562	41%	0.414	S	S	*	.	H	α-helix	trans	-74.7	-48.3	-179.7	0	0	0	0	0	110.4	D47 F51 S52 D53	D47-A49 VanDerWaalsContact C-N 3.33Å; D47-A49 PolarHBondContact O-N 2.93Å; D47-A49 WeakPolarHBondContact OD1-CA 3.39Å; D47-A49 WeakPolarHBondContact OD1-CB 3.31Å; D47-A49 PolarHBondContact OD1-N 3.43Å; A49-F51 VanDerWaalsContact C-N 3.33Å; A49-F51 PolarHBondContact O-N 3.23Å; A49-S52 PolarHBondContact O-N 3.5Å; A49-D53 PolarHBondContact O-N 3.46Å; A49-D53 VanDerWaalsContact O-N 3.07Å
50	E	98.6	Very high	98.5	Very high	116 Å²	116	78.5 Å²	78.5	54%	0.542	42%	0.415	S	S	.	.	H	α-helix	trans	-62.9	-41.4	174.7	-66.9	-168.7	-175.3	0	0	111.5	A44 D47 S52 D53 L54	A44-E50 HydrophobicContact CB-CB 4.21Å; D47-E50 HydrophobicContact CB-CB 4.21Å; D47-E50 HydrophobicContact CB-CG 4.36Å; D47-E50 PolarHBondContact OD1-N 2.93Å; E50-S52 VanDerWaalsContact C-N 3.35Å; E50-S52 PolarHBondContact O-N 3.31Å; E50-D53 PolarHBondContact O-N 2.91Å; E50-L54 VanDerWaalsContact O-CG 3.3Å; E50-L54 WeakPolarHBondContact O-CG 3.38Å; E50-L54 PolarHBondContact O-N 3.44Å
51	F	98.7	Very high	98.5	Very high	48 Å²	48	80.3 Å²	80.3	21%	0.211	43%	0.43	C	S	.	.	H	α-helix	trans	-57.5	-46.9	174.4	168.1	-116.5	0	0	0	111.9	V37 L40 Y41 A44 D47 A49 D53 L54 V55	V37-F51 HydrophobicContact CG1-CE2 3.8Å; V37-F51 HydrophobicContact CG1-CZ 3.57Å; V37-F51 WeakPolarHBondContact O-CE2 3.35Å; L40-F51 HydrophobicContact CB-CD2 4.39Å; L40-F51 HydrophobicContact CB-CE2 4.44Å; Y41-F51 HydrophobicContact CD2-CB 4.07Å; Y41-F51 AromaticContact CD2-CD1 3.95Å; Y41-F51 HydrophobicContact CD2-CD1 3.95Å; Y41-F51 AromaticContact CD2-CD2 3.89Å; Y41-F51 HydrophobicContact CD2-CD2 3.89Å; Y41-F51 HydrophobicContact CD2-CE1 4.35Å; Y41-F51 HydrophobicContact CD2-CE2 4.29Å; Y41-F51 AromaticContact CD2-CG 3.69Å; Y41-F51 HydrophobicContact CD2-CG 3.69Å; Y41-F51 HydrophobicContact CD2-CZ 4.5Å; Y41-F51 HydrophobicContact CE2-CD1 4.5Å; Y41-F51 HydrophobicContact CE2-CG 4.49Å; Y41-F51 HydrophobicContact CG-CD2 4.4Å; A44-F51 HydrophobicContact CB-CB 3.84Å; D47-F51 WeakPolarHBondContact O-CB 3.32Å; D47-F51 PolarHBondContact O-N 3.47Å; A49-F51 VanDerWaalsContact C-N 3.33Å; A49-F51 PolarHBondContact O-N 3.23Å; F51-D53 VanDerWaalsContact C-N 3.33Å; F51-D53 PolarHBondContact O-N 3.16Å; F51-L54 PolarHBondContact O-N 3.1Å; F51-V55 HydrophobicContact CD2-CG2 3.91Å; F51-V55 HydrophobicContact CE1-CG2 4.38Å; F51-V55 HydrophobicContact CE2-CG2 3.43Å; F51-V55 VanDerWaalsContact CE2-CG2 3.43Å; F51-V55 HydrophobicContact CZ-CG2 3.71Å; F51-V55 WeakPolarHBondContact O-CG2 3.46Å; F51-V55 PolarHBondContact O-N 3.04Å
52	S	98.6	Very high	98.4	Very high	62 Å²	62	79.6 Å²	79.6	43%	0.434	44%	0.437	S	S	.	.	H	α-helix	trans	-59.7	-44.3	177.6	-168.5	0	0	0	0	111.4	E48 A49 E50 L54 V55 E56	E48-S52 WeakPolarHBondContact O-CB 3.35Å; E48-S52 PolarHBondContact O-N 3.41Å; A49-S52 PolarHBondContact O-N 3.5Å; E50-S52 VanDerWaalsContact C-N 3.35Å; E50-S52 PolarHBondContact O-N 3.31Å; S52-L54 VanDerWaalsContact C-N 3.32Å; S52-L54 PolarHBondContact O-N 3.19Å; S52-V55 PolarHBondContact O-N 3.15Å; S52-E56 PolarHBondContact O-N 3.48Å
53	D	98.8	Very high	98.5	Very high	102 Å²	102	81 Å²	81	55%	0.545	43%	0.429	S	S	.	.	H	α-helix	trans	-63.2	-37.2	177.4	-77.4	-8.2	0	0	0	112.4	A49 E50 F51 K57	A49-D53 PolarHBondContact O-N 3.46Å; A49-D53 VanDerWaalsContact O-N 3.07Å; E50-D53 PolarHBondContact O-N 2.91Å; F51-D53 VanDerWaalsContact C-N 3.33Å; F51-D53 PolarHBondContact O-N 3.16Å; D53-K57 WeakPolarHBondContact O-CG 3.34Å; D53-K57 PolarHBondContact O-N 3.48Å
54	L	98.7	Very high	98.5	Very high	45 Å²	45	83.2 Å²	83.2	24%	0.236	43%	0.434	C	S	.	.	H	α-helix	trans	-68.6	-38.4	176	-70	174.9	0	0	0	112.2	L40 V43 A44 E50 F51 S52 K57 L58	L40-L54 HydrophobicContact CB-CB 4.44Å; L40-L54 HydrophobicContact CD1-CB 4.31Å; L40-L54 HydrophobicContact CD2-CB 4.36Å; V43-L54 HydrophobicContact CB-CD1 4.42Å; V43-L54 HydrophobicContact CG1-CD1 4Å; A44-L54 HydrophobicContact CB-CD1 4.14Å; E50-L54 VanDerWaalsContact O-CG 3.3Å; E50-L54 WeakPolarHBondContact O-CG 3.38Å; E50-L54 PolarHBondContact O-N 3.44Å; F51-L54 PolarHBondContact O-N 3.1Å; S52-L54 VanDerWaalsContact C-N 3.32Å; S52-L54 PolarHBondContact O-N 3.19Å; L54-K57 PolarHBondContact O-N 3.34Å; L54-L58 PolarHBondContact O-N 3.49Å
55	V	98.7	Very high	98.4	Very high	23 Å²	23	85.5 Å²	85.5	14%	0.139	45%	0.454	C	S	.	.	H	α-helix	trans	-68.3	-38.1	176.8	172.7	0	0	0	0	111.3	L40 F51 S52 K57 L58 H59	L40-V55 HydrophobicContact CD1-CG2 4.41Å; F51-V55 HydrophobicContact CD2-CG2 3.91Å; F51-V55 HydrophobicContact CE1-CG2 4.38Å; F51-V55 HydrophobicContact CE2-CG2 3.43Å; F51-V55 VanDerWaalsContact CE2-CG2 3.43Å; F51-V55 HydrophobicContact CZ-CG2 3.71Å; F51-V55 WeakPolarHBondContact O-CG2 3.46Å; F51-V55 PolarHBondContact O-N 3.04Å; S52-V55 PolarHBondContact O-N 3.15Å; V55-K57 VanDerWaalsContact C-N 3.34Å; V55-K57 PolarHBondContact O-N 3.34Å; V55-L58 WeakPolarHBondContact O-CA 3.45Å; V55-L58 WeakPolarHBondContact O-CB 3.49Å; V55-L58 PolarHBondContact O-N 3.07Å; V55-L58 VanDerWaalsContact O-N 3.1Å; V55-H59 PolarHBondContact O-N 3.27Å
56	E	98.7	Very high	98.4	Very high	102 Å²	102	81.4 Å²	81.4	48%	0.477	43%	0.433	S	S	.	.	H	α-helix	trans	-63	-40.5	173.7	-70.9	-56	152.7	0	0	112	S52 L58 H59 E60	S52-E56 PolarHBondContact O-N 3.48Å; E56-L58 VanDerWaalsContact C-N 3.27Å; E56-L58 PolarHBondContact O-N 2.88Å; E56-H59 WeakPolarHBondContact O-CB 3.35Å; E56-H59 PolarHBondContact O-N 2.97Å; E56-H59 VanDerWaalsContact O-N 3.1Å; E56-H59 IonicContact OE1-ND1 2.62Å; E56-H59 IonicContact OE2-ND1 2.65Å; E56-H59 PolarHBondContact OE2-ND1 3.29Å; E56-E60 PolarHBondContact O-N 3.1Å
57	K	98.6	Very high	98.5	Very high	117 Å²	117	85.4 Å²	85.4	51%	0.509	45%	0.445	S	S	.	.	H	α-helix	trans	-63	-32.6	172.4	-70.3	168.8	-173.9	163.5	0	112.8	D53 L54 V55 E60 S61	D53-K57 WeakPolarHBondContact O-CG 3.34Å; D53-K57 PolarHBondContact O-N 3.48Å; L54-K57 PolarHBondContact O-N 3.34Å; V55-K57 VanDerWaalsContact C-N 3.34Å; V55-K57 PolarHBondContact O-N 3.34Å; K57-E60 PolarHBondContact O-N 3.15Å; K57-S61 WeakPolarHBondContact O-CB 3.48Å; K57-S61 PolarHBondContact O-N 3.27Å; K57-S61 PolarHBondContact O-OG 3.45Å
58	L	98.5	Very high	98.4	Very high	44 Å²	44	88.6 Å²	88.6	23%	0.23	46%	0.455	C	S	.	.	H	α-helix	trans	-65.7	-42.3	172.4	177.5	65.5	0	0	0	110.9	I36 V37 L40 L54 V55 E56 E60 S61 V62	I36-L58 HydrophobicContact CG2-CD1 4.04Å; I36-L58 HydrophobicContact CG2-CD2 3.6Å; I36-L58 HydrophobicContact CG2-CG 4.49Å; V37-L58 HydrophobicContact CG2-CD2 4.42Å; L40-L58 HydrophobicContact CD1-CB 4.12Å; L40-L58 HydrophobicContact CD1-CD2 4.04Å; L54-L58 PolarHBondContact O-N 3.49Å; V55-L58 WeakPolarHBondContact O-CA 3.45Å; V55-L58 WeakPolarHBondContact O-CB 3.49Å; V55-L58 PolarHBondContact O-N 3.07Å; V55-L58 VanDerWaalsContact O-N 3.1Å; E56-L58 VanDerWaalsContact C-N 3.27Å; E56-L58 PolarHBondContact O-N 2.88Å; L58-E60 VanDerWaalsContact C-N 3.34Å; L58-E60 PolarHBondContact O-N 2.67Å; L58-S61 WeakPolarHBondContact O-CB 3.48Å; L58-S61 PolarHBondContact O-N 2.93Å; L58-V62 WeakPolarHBondContact O-CG2 3.42Å; L58-V62 PolarHBondContact O-N 3.49Å
59	H	98.6	Very high	98.3	Very high	103 Å²	103	86.3 Å²	86.3	48%	0.477	45%	0.451	S	S	.	.	H	α-helix	trans	-58.5	-45.5	174.2	-64.1	155.5	0	0	0	111.9	V55 E56 S61 V62 E63	V55-H59 PolarHBondContact O-N 3.27Å; E56-H59 WeakPolarHBondContact O-CB 3.35Å; E56-H59 PolarHBondContact O-N 2.97Å; E56-H59 VanDerWaalsContact O-N 3.1Å; E56-H59 IonicContact OE1-ND1 2.62Å; E56-H59 IonicContact OE2-ND1 2.65Å; E56-H59 PolarHBondContact OE2-ND1 3.29Å; H59-S61 VanDerWaalsContact C-N 3.31Å; H59-S61 PolarHBondContact O-N 2.89Å; H59-V62 PolarHBondContact O-N 2.96Å; H59-E63 PolarHBondContact O-N 2.98Å
60	E	98.6	Very high	98.2	Very high	119 Å²	119	89 Å²	89	56%	0.556	46%	0.456	S	S	*	.	H	α-helix	trans	-58.6	-43.6	174.7	-67.7	177.6	175.7	0	0	111.7	E56 K57 L58 V62 E63 Q64	E56-E60 PolarHBondContact O-N 3.1Å; K57-E60 PolarHBondContact O-N 3.15Å; L58-E60 VanDerWaalsContact C-N 3.34Å; L58-E60 PolarHBondContact O-N 2.67Å; E60-V62 VanDerWaalsContact C-N 3.33Å; E60-V62 PolarHBondContact O-N 3.14Å; E60-E63 PolarHBondContact O-N 2.92Å; E60-Q64 VanDerWaalsContact O-CG 3.31Å; E60-Q64 WeakPolarHBondContact O-CG 3.45Å; E60-Q64 PolarHBondContact O-N 3.41Å
61	S	98.2	Very high	98.2	Very high	63 Å²	63	89.4 Å²	89.4	44%	0.441	47%	0.466	S	S	.	.	H	α-helix	trans	-63.3	-38.9	178.3	-60.2	0	0	0	0	112.2	K57 L58 H59 A65	K57-S61 WeakPolarHBondContact O-CB 3.48Å; K57-S61 PolarHBondContact O-N 3.27Å; K57-S61 PolarHBondContact O-OG 3.45Å; L58-S61 WeakPolarHBondContact O-CB 3.48Å; L58-S61 PolarHBondContact O-N 2.93Å; H59-S61 VanDerWaalsContact C-N 3.31Å; H59-S61 PolarHBondContact O-N 2.89Å; S61-A65 WeakPolarHBondContact O-CB 3.33Å; S61-A65 PolarHBondContact O-N 3.3Å
62	V	98.2	Very high	98	Very high	90 Å²	90	93.1 Å²	93.1	55%	0.545	48%	0.482	S	S	.	.	H	α-helix	trans	-65.3	-42.3	175.3	170.5	0	0	0	0	110.9	L58 H59 E60 A65 K66	L58-V62 WeakPolarHBondContact O-CG2 3.42Å; L58-V62 PolarHBondContact O-N 3.49Å; H59-V62 PolarHBondContact O-N 2.96Å; E60-V62 VanDerWaalsContact C-N 3.33Å; E60-V62 PolarHBondContact O-N 3.14Å; V62-A65 PolarHBondContact O-N 3Å; V62-K66 PolarHBondContact O-N 3.34Å
63	E	98.5	Very high	97.6	Very high	81 Å²	81	93.1 Å²	93.1	38%	0.379	49%	0.492	S	S	.	.	H	α-helix	trans	-64.1	-46.5	177.9	-171.9	59.6	-157.8	0	0	111.4	H59 E60 A65 K66 E67	H59-E63 PolarHBondContact O-N 2.98Å; E60-E63 PolarHBondContact O-N 2.92Å; E63-A65 VanDerWaalsContact C-N 3.32Å; E63-A65 PolarHBondContact O-N 3.02Å; E63-K66 WeakPolarHBondContact O-CB 3.49Å; E63-K66 PolarHBondContact O-N 2.96Å; E63-K66 VanDerWaalsContact O-N 3.14Å; E63-K66 WeakPolarHBondContact OE1-CE 3.38Å; E63-K66 IonicContact OE1-NZ 2.75Å; E63-K66 PolarHBondContact OE1-NZ 3.38Å; E63-K66 WeakPolarHBondContact OE2-CE 3.3Å; E63-K66 IonicContact OE2-NZ 2.79Å; E63-K66 PolarHBondContact OE2-NZ 2.95Å; E63-E67 WeakPolarHBondContact O-CG 3.35Å; E63-E67 PolarHBondContact O-N 3.25Å
64	Q	98.4	Very high	97.2	Very high	122 Å²	122	95.3 Å²	95.3	57%	0.57	50%	0.499	S	S	*	.	H	α-helix	trans	-59.8	-41.1	175.2	-70.3	172.5	13	0	0	112.2	E60 K66 E67 K68	E60-Q64 VanDerWaalsContact O-CG 3.31Å; E60-Q64 WeakPolarHBondContact O-CG 3.45Å; E60-Q64 PolarHBondContact O-N 3.41Å; Q64-K66 VanDerWaalsContact C-N 3.34Å; Q64-E67 PolarHBondContact O-N 3Å; Q64-K68 WeakPolarHBondContact O-CB 3.46Å; Q64-K68 PolarHBondContact O-N 3.22Å
65	A	97.5	Very high	96.9	Very high	52 Å²	52	100.5 Å²	100.5	43%	0.43	52%	0.519	S	S	.	.	H	α-helix	trans	-63	-42	176.2	0	0	0	0	0	111.5	S61 V62 E63 K68 V69	S61-A65 WeakPolarHBondContact O-CB 3.33Å; S61-A65 PolarHBondContact O-N 3.3Å; V62-A65 PolarHBondContact O-N 3Å; E63-A65 VanDerWaalsContact C-N 3.32Å; E63-A65 PolarHBondContact O-N 3.02Å; A65-K68 PolarHBondContact O-N 2.89Å; A65-V69 WeakPolarHBondContact O-CG2 3.43Å; A65-V69 PolarHBondContact O-N 2.9Å
66	K	97.9	Very high	96.7	Very high	101 Å²	101	104.1 Å²	104.1	44%	0.439	54%	0.541	S	S	.	.	H	α-helix	trans	-60.8	-49.5	175	-173.4	-170.4	75.7	-166.7	0	111.2	V62 E63 Q64 K68 V69 L70	V62-K66 PolarHBondContact O-N 3.34Å; E63-K66 WeakPolarHBondContact O-CB 3.49Å; E63-K66 PolarHBondContact O-N 2.96Å; E63-K66 VanDerWaalsContact O-N 3.14Å; E63-K66 WeakPolarHBondContact OE1-CE 3.38Å; E63-K66 IonicContact OE1-NZ 2.75Å; E63-K66 PolarHBondContact OE1-NZ 3.38Å; E63-K66 WeakPolarHBondContact OE2-CE 3.3Å; E63-K66 IonicContact OE2-NZ 2.79Å; E63-K66 PolarHBondContact OE2-NZ 2.95Å; Q64-K66 VanDerWaalsContact C-N 3.34Å; K66-K68 VanDerWaalsContact C-N 3.32Å; K66-K68 PolarHBondContact O-N 3.18Å; K66-V69 PolarHBondContact O-N 3.22Å; K66-L70 HydrophobicContact CG-CD1 4.19Å; K66-L70 WeakPolarHBondContact O-CG 3.37Å; K66-L70 PolarHBondContact O-N 3.45Å
67	E	98.4	Very high	96.5	Very high	109 Å²	109	106.1 Å²	106.1	51%	0.509	55%	0.551	S	S	.	*	H	α-helix	trans	-58.7	-42.4	177.6	-72.3	-177.2	166.7	0	0	112.3	E63 Q64 L70 T71	E63-E67 WeakPolarHBondContact O-CG 3.35Å; E63-E67 PolarHBondContact O-N 3.25Å; Q64-E67 PolarHBondContact O-N 3Å; E67-L70 PolarHBondContact O-N 3.44Å; E67-T71 WeakPolarHBondContact O-CB 3.39Å; E67-T71 PolarHBondContact O-N 3.23Å; E67-T71 PolarHBondContact O-OG1 2.93Å
68	K	97.5	Very high	96.5	Very high	143 Å²	143	104.6 Å²	104.6	62%	0.622	55%	0.548	S	S	*	.	H	α-helix	trans	-61.9	-45.1	176.7	-176.2	179.5	-179.2	-179.2	0	112	Q64 A65 K66 T71 K72	Q64-K68 WeakPolarHBondContact O-CB 3.46Å; Q64-K68 PolarHBondContact O-N 3.22Å; A65-K68 PolarHBondContact O-N 2.89Å; K66-K68 VanDerWaalsContact C-N 3.32Å; K66-K68 PolarHBondContact O-N 3.18Å; K68-T71 PolarHBondContact O-N 3.49Å; K68-K72 WeakPolarHBondContact O-CG 3.46Å; K68-K72 PolarHBondContact O-N 3.45Å; K68-K72 VanDerWaalsContact O-N 3.08Å
69	V	96.3	Very high	96.4	Very high	103 Å²	103	104.8 Å²	104.8	62%	0.624	56%	0.556	S	S	*	*	H	α-helix	trans	-62.8	-43.7	177	170.2	0	0	0	0	110.7	A65 K66 K72 G73	A65-V69 WeakPolarHBondContact O-CG2 3.43Å; A65-V69 PolarHBondContact O-N 2.9Å; K66-V69 PolarHBondContact O-N 3.22Å; V69-K72 PolarHBondContact O-N 3.15Å; V69-G73 PolarHBondContact O-N 3.38Å
70	L	96.7	Very high	96.4	Very high	125 Å²	125	102 Å²	102	65%	0.654	55%	0.545	S	S	*	.	H	α-helix	trans	-66.2	-37.9	178.5	-68.8	174.4	0	0	0	112.6	K66 E67 G73	K66-L70 HydrophobicContact CG-CD1 4.19Å; K66-L70 WeakPolarHBondContact O-CG 3.37Å; K66-L70 PolarHBondContact O-N 3.45Å; E67-L70 PolarHBondContact O-N 3.44Å; L70-G73 PolarHBondContact O-N 3.03Å
71	T	97.4	Very high	96.3	Very high	124 Å²	124	100.8 Å²	100.8	76%	0.761	55%	0.545	S	S	*	.	H	α-helix	trans	-69.7	-36.5	179.7	-62.7	0	0	0	0	112.2	E67 K68 G73	E67-T71 WeakPolarHBondContact O-CB 3.39Å; E67-T71 PolarHBondContact O-N 3.23Å; E67-T71 PolarHBondContact O-OG1 2.93Å; K68-T71 PolarHBondContact O-N 3.49Å; T71-G73 PolarHBondContact O-N 3.19Å
72	K	94.7	Very high	96.3	Very high	126 Å²	126	99.9 Å²	99.9	55%	0.548	54%	0.542	S	S	.	.	H	α-helix	trans	-59.2	-38.7	171.8	-77.1	-175.7	174.4	-167.6	0	111.6	K68 V69 E74	K68-K72 WeakPolarHBondContact O-CG 3.46Å; K68-K72 PolarHBondContact O-N 3.45Å; K68-K72 VanDerWaalsContact O-N 3.08Å; V69-K72 PolarHBondContact O-N 3.15Å; K72-E74 HydrophobicContact CB-CG 4.33Å; K72-E74 PolarHBondContact O-N 3.47Å
73	G	90	Very high	96.3	Very high	62 Å²	62	98.2 Å²	98.2	64%	0.639	53%	0.528	S	S	*	.			trans	60.1	20.2	174.5	0	0	0	0	0	114.3	V69 L70 T71	V69-G73 PolarHBondContact O-N 3.38Å; L70-G73 PolarHBondContact O-N 3.03Å; T71-G73 PolarHBondContact O-N 3.19Å
74	E	91.4	Very high	96.3	Very high	147 Å²	147	97.9 Å²	97.9	69%	0.687	53%	0.531	S	S	*	.			trans	-67.7	134.3	-177.9	-72	172.2	174.8	0	0	110.2	K72 V76	K72-E74 HydrophobicContact CB-CG 4.33Å; K72-E74 PolarHBondContact O-N 3.47Å; E74-V76 PolarHBondContact O-N 3.34Å
75	K	93	Very high	96.2	Very high	154 Å²	154	96.9 Å²	96.9	67%	0.67	53%	0.53	S	S	*	.			trans	-73.6	128.2	175	-178.7	171.1	167.5	-122.6	0	109.3	E77	K75-E77 VanDerWaalsContact CD-OE1 3.26Å; K75-E77 WeakPolarHBondContact CD-OE1 3.34Å; K75-E77 WeakPolarHBondContact CE-OE1 3.39Å; K75-E77 IonicContact NZ-OE1 3.98Å; K75-E77 PolarHBondContact NZ-OE1 2.99Å; K75-E77 IonicContact NZ-OE2 2.83Å; K75-E77 PolarHBondContact NZ-OE2 3.49Å; K75-E77 PolarHBondContact O-N 3.1Å; K75-E77 VanDerWaalsContact O-N 3.16Å
76	V	94.7	Very high	96.3	Very high	99 Å²	99	96.9 Å²	96.9	60%	0.6	53%	0.53	S	S	*	.			trans	-77.7	98.7	171.1	-177.2	0	0	0	0	108.6	E74 A82	E74-V76 PolarHBondContact O-N 3.34Å; V76-A82 HydrophobicContact CG1-CB 4.08Å
77	E	94.1	Very high	96.3	Very high	145 Å²	145	95.2 Å²	95.2	68%	0.678	53%	0.525	S	S	*	.	S	Bend	trans	-76	-36.8	177.4	-64.3	-63.7	164.5	0	0	112.5	K75	K75-E77 VanDerWaalsContact CD-OE1 3.26Å; K75-E77 WeakPolarHBondContact CD-OE1 3.34Å; K75-E77 WeakPolarHBondContact CE-OE1 3.39Å; K75-E77 IonicContact NZ-OE1 3.98Å; K75-E77 PolarHBondContact NZ-OE1 2.99Å; K75-E77 IonicContact NZ-OE2 2.83Å; K75-E77 PolarHBondContact NZ-OE2 3.49Å; K75-E77 PolarHBondContact O-N 3.1Å; K75-E77 VanDerWaalsContact O-N 3.16Å
78	D	97.1	Very high	96.3	Very high	84 Å²	84	93.6 Å²	93.6	45%	0.449	52%	0.523	S	S	.	.			trans	-134.9	113.3	176.4	-178.7	64.4	0	0	0	110.7	L80 T81 A82	D78-L80 VanDerWaalsContact C-N 3.34Å; D78-L80 PolarHBondContact O-N 3.1Å; D78-T81 PolarHBondContact O-N 3.42Å; D78-T81 WeakPolarHBondContact OD2-CB 3.45Å; D78-T81 PolarHBondContact OD2-N 3.03Å; D78-T81 PolarHBondContact OD2-OG1 3.38Å; D78-A82 PolarHBondContact O-N 3Å
79	A	97.2	Very high	96.3	Very high	48 Å²	48	90.6 Å²	90.6	40%	0.397	51%	0.514	S	S	.	.	H	α-helix	trans	-67	-35.4	-175.9	0	0	0	0	0	112.4	A19 A82 E83	A19-A79 HydrophobicContact CB-CB 4.09Å; A79-A82 PolarHBondContact O-N 2.88Å; A79-E83 WeakPolarHBondContact O-CB 3.3Å; A79-E83 WeakPolarHBondContact O-CG 3.44Å; A79-E83 PolarHBondContact O-N 2.93Å
80	L	98.1	Very high	96.4	Very high	46 Å²	46	89.6 Å²	89.6	24%	0.241	50%	0.504	C	S	.	.	H	α-helix	trans	-64.9	-45.2	-179.9	174.2	60.4	0	0	0	110.9	P17 A19 D78 A82 E83 V84	P17-L80 HydrophobicContact CB-CD2 3.63Å; A19-L80 HydrophobicContact CB-CB 4.11Å; D78-L80 VanDerWaalsContact C-N 3.34Å; D78-L80 PolarHBondContact O-N 3.1Å; L80-A82 PolarHBondContact O-N 3.44Å; L80-E83 PolarHBondContact O-N 3.43Å; L80-V84 HydrophobicContact CD1-CG2 3.9Å; L80-V84 HydrophobicContact CG-CG2 4.42Å; L80-V84 WeakPolarHBondContact O-CB 3.22Å; L80-V84 VanDerWaalsContact O-CG2 3.28Å; L80-V84 WeakPolarHBondContact O-CG2 3.5Å; L80-V84 PolarHBondContact O-N 3.21Å
81	T	98	Very high	96.5	Very high	93 Å²	93	88.5 Å²	88.5	57%	0.571	50%	0.499	S	S	*	.	H	α-helix	trans	-59.5	-47.2	176.8	-61	0	0	0	0	110.6	D78 E83 V84 D85	D78-T81 PolarHBondContact O-N 3.42Å; D78-T81 WeakPolarHBondContact OD2-CB 3.45Å; D78-T81 PolarHBondContact OD2-N 3.03Å; D78-T81 PolarHBondContact OD2-OG1 3.38Å; T81-E83 PolarHBondContact O-N 3.24Å; T81-V84 PolarHBondContact O-N 3.25Å; T81-D85 WeakPolarHBondContact O-CB 3.44Å; T81-D85 PolarHBondContact O-N 2.81Å
82	A	97.2	Very high	96.5	Very high	44 Å²	44	91 Å²	91	36%	0.364	50%	0.495	S	S	.	.	H	α-helix	trans	-62.9	-40.8	177.9	0	0	0	0	0	112.9	V76 D78 A79 L80 A86	V76-A82 HydrophobicContact CG1-CB 4.08Å; D78-A82 PolarHBondContact O-N 3Å; A79-A82 PolarHBondContact O-N 2.88Å; L80-A82 PolarHBondContact O-N 3.44Å; A82-A86 PolarHBondContact O-N 3.32Å; A82-A86 VanDerWaalsContact O-N 3.15Å
83	E	98	Very high	96.7	Very high	54 Å²	54	92 Å²	92	25%	0.252	50%	0.5	S	S	.	.	H	α-helix	trans	-65.1	-42.1	175.6	-75.9	179.9	-165.9	0	0	112.3	A19 F20 A79 L80 T81 L87	A19-E83 WeakPolarHBondContact CA-OE2 3.46Å; F20-E83 PolarHBondContact N-OE1 3.37Å; F20-E83 PolarHBondContact N-OE2 3.21Å; A79-E83 WeakPolarHBondContact O-CB 3.3Å; A79-E83 WeakPolarHBondContact O-CG 3.44Å; A79-E83 PolarHBondContact O-N 2.93Å; L80-E83 PolarHBondContact O-N 3.43Å; T81-E83 PolarHBondContact O-N 3.24Å; E83-L87 WeakPolarHBondContact O-CB 3.28Å; E83-L87 WeakPolarHBondContact O-CG 3.34Å; E83-L87 PolarHBondContact O-N 2.96Å
84	V	98.2	Very high	97.1	Very high	74 Å²	74	92.6 Å²	92.6	45%	0.448	49%	0.491	S	S	.	.	H	α-helix	trans	-67.3	-41.4	179.5	169.5	0	0	0	0	111.3	L80 T81 L87 T88	L80-V84 HydrophobicContact CD1-CG2 3.9Å; L80-V84 HydrophobicContact CG-CG2 4.42Å; L80-V84 WeakPolarHBondContact O-CB 3.22Å; L80-V84 VanDerWaalsContact O-CG2 3.28Å; L80-V84 WeakPolarHBondContact O-CG2 3.5Å; L80-V84 PolarHBondContact O-N 3.21Å; T81-V84 PolarHBondContact O-N 3.25Å; V84-L87 PolarHBondContact O-N 3.45Å; V84-T88 WeakPolarHBondContact O-CB 3.42Å; V84-T88 PolarHBondContact O-N 2.86Å; V84-T88 PolarHBondContact O-OG1 2.83Å
85	D	97.9	Very high	97.4	Very high	101 Å²	101	92.4 Å²	92.4	54%	0.54	49%	0.485	S	S	.	.	H	α-helix	trans	-58.3	-54.2	175.8	-171.3	51	0	0	0	110.7	T81 L87 T88 D89	T81-D85 WeakPolarHBondContact O-CB 3.44Å; T81-D85 PolarHBondContact O-N 2.81Å; D85-L87 PolarHBondContact O-N 3.39Å; D85-T88 WeakPolarHBondContact O-CB 3.38Å; D85-T88 PolarHBondContact O-N 3.35Å; D85-D89 PolarHBondContact O-N 3.39Å
86	A	97.7	Very high	97.6	Very high	52 Å²	52	86.4 Å²	86.4	43%	0.43	47%	0.468	S	S	.	.	H	α-helix	trans	-61.7	-39.5	178.7	0	0	0	0	0	113.3	A82 T88 L90	A82-A86 PolarHBondContact O-N 3.32Å; A82-A86 VanDerWaalsContact O-N 3.15Å; A86-T88 VanDerWaalsContact C-N 3.3Å; A86-T88 PolarHBondContact O-N 2.85Å; A86-L90 VanDerWaalsContact O-CG 3.31Å; A86-L90 WeakPolarHBondContact O-CG 3.4Å; A86-L90 PolarHBondContact O-N 2.92Å; A86-L90 VanDerWaalsContact O-N 3.1Å
87	L	98.1	Very high	97.8	Very high	67 Å²	67	84.5 Å²	84.5	35%	0.351	46%	0.458	S	S	.	.	H	α-helix	trans	-66.2	-33.9	175.3	-73.9	171.4	0	0	0	112.1	E83 V84 D85 L91	E83-L87 WeakPolarHBondContact O-CB 3.28Å; E83-L87 WeakPolarHBondContact O-CG 3.34Å; E83-L87 PolarHBondContact O-N 2.96Å; V84-L87 PolarHBondContact O-N 3.45Å; D85-L87 PolarHBondContact O-N 3.39Å; L87-L91 WeakPolarHBondContact O-CG 3.09Å; L87-L91 PolarHBondContact O-N 3.41Å; L87-L91 VanDerWaalsContact O-N 3.15Å
88	T	98.6	Very high	98	Very high	75 Å²	75	80.3 Å²	80.3	46%	0.46	44%	0.438	S	S	.	.	H	α-helix	trans	-70.7	-43.2	177.9	-57.5	0	0	0	0	110.9	V84 D85 A86 L90 L91 Y92	V84-T88 WeakPolarHBondContact O-CB 3.42Å; V84-T88 PolarHBondContact O-N 2.86Å; V84-T88 PolarHBondContact O-OG1 2.83Å; D85-T88 WeakPolarHBondContact O-CB 3.38Å; D85-T88 PolarHBondContact O-N 3.35Å; A86-T88 VanDerWaalsContact C-N 3.3Å; A86-T88 PolarHBondContact O-N 2.85Å; T88-L90 VanDerWaalsContact C-N 3.31Å; T88-L90 PolarHBondContact O-N 3.42Å; T88-L91 WeakPolarHBondContact O-CB 3.34Å; T88-L91 PolarHBondContact O-N 3.23Å; T88-L91 VanDerWaalsContact O-N 3.12Å; T88-Y92 PolarHBondContact O-N 2.99Å
89	D	98.4	Very high	98	Very high	79 Å²	79	80 Å²	80	42%	0.422	45%	0.448	S	S	.	.	H	α-helix	trans	-60	-41.6	174.5	-82.4	-8	0	0	0	111.9	D85 L91 Y92 F93	D85-D89 PolarHBondContact O-N 3.39Å; D89-L91 VanDerWaalsContact C-N 3.32Å; D89-L91 PolarHBondContact O-N 3.45Å; D89-Y92 WeakPolarHBondContact O-CB 3.49Å; D89-Y92 PolarHBondContact O-N 2.84Å; D89-Y92 VanDerWaalsContact O-N 3.13Å; D89-F93 VanDerWaalsContact O-CD2 3.23Å; D89-F93 WeakPolarHBondContact O-CD2 3.46Å; D89-F93 PolarHBondContact O-N 3.44Å
90	L	98	Very high	98.1	Very high	82 Å²	82	85.2 Å²	85.2	43%	0.429	47%	0.468	S	S	.	.	H	α-helix	trans	-60.3	-41.6	174.5	-73.4	169.6	0	0	0	112.1	K32 A86 T88 T94	K32-L90 HydrophobicContact CD-CD1 3.89Å; A86-L90 VanDerWaalsContact O-CG 3.31Å; A86-L90 WeakPolarHBondContact O-CG 3.4Å; A86-L90 PolarHBondContact O-N 2.92Å; A86-L90 VanDerWaalsContact O-N 3.1Å; T88-L90 VanDerWaalsContact C-N 3.31Å; T88-L90 PolarHBondContact O-N 3.42Å; L90-T94 VanDerWaalsContact O-CB 3.31Å; L90-T94 WeakPolarHBondContact O-CB 3.4Å; L90-T94 PolarHBondContact O-N 3.15Å; L90-T94 PolarHBondContact O-OG1 3.42Å
91	L	97.8	Very high	98	Very high	103 Å²	103	88.3 Å²	88.3	54%	0.539	48%	0.484	S	S	.	.	H	α-helix	trans	-61.9	-45.9	172.9	-69.7	173.5	0	0	0	110.7	L87 T88 D89 F93 T94 Y95	L87-L91 WeakPolarHBondContact O-CG 3.09Å; L87-L91 PolarHBondContact O-N 3.41Å; L87-L91 VanDerWaalsContact O-N 3.15Å; T88-L91 WeakPolarHBondContact O-CB 3.34Å; T88-L91 PolarHBondContact O-N 3.23Å; T88-L91 VanDerWaalsContact O-N 3.12Å; D89-L91 VanDerWaalsContact C-N 3.32Å; D89-L91 PolarHBondContact O-N 3.45Å; L91-F93 PolarHBondContact O-N 3.07Å; L91-T94 PolarHBondContact O-N 3.09Å; L91-Y95 HydrophobicContact CB-CD2 4.5Å; L91-Y95 WeakPolarHBondContact O-CD2 3.11Å; L91-Y95 PolarHBondContact O-N 2.97Å
92	Y	98.5	Very high	97.9	Very high	176 Å²	176	87 Å²	87	69%	0.69	49%	0.488	S	S	*	.	H	α-helix	trans	-59.7	-48	-178.5	-163.3	-84.8	0	0	0	112	T88 D89 Y95 G96	T88-Y92 PolarHBondContact O-N 2.99Å; D89-Y92 WeakPolarHBondContact O-CB 3.49Å; D89-Y92 PolarHBondContact O-N 2.84Å; D89-Y92 VanDerWaalsContact O-N 3.13Å; Y92-Y95 PolarHBondContact O-N 3.31Å; Y92-G96 PolarHBondContact O-N 2.91Å
93	F	98.2	Very high	98	Very high	147 Å²	147	86 Å²	86	65%	0.645	48%	0.478	S	S	*	.	H	α-helix	trans	-65.5	-38.2	176.3	-76.8	-64.2	0	0	0	112.4	D89 L91 G96 S97	D89-F93 VanDerWaalsContact O-CD2 3.23Å; D89-F93 WeakPolarHBondContact O-CD2 3.46Å; D89-F93 PolarHBondContact O-N 3.44Å; L91-F93 PolarHBondContact O-N 3.07Å; F93-G96 WeakPolarHBondContact O-CA 3.48Å; F93-G96 PolarHBondContact O-N 3.47Å; F93-S97 PolarHBondContact O-N 2.93Å; F93-S97 PolarHBondContact O-OG 3.27Å
94	T	97.9	Very high	97.9	Very high	74 Å²	74	87.2 Å²	87.2	45%	0.454	49%	0.486	S	S	.	.	H	α-helix	trans	-63.3	-46.6	176.7	-56.4	0	0	0	0	111.2	L90 L91 G96 S97 F98	L90-T94 VanDerWaalsContact O-CB 3.31Å; L90-T94 WeakPolarHBondContact O-CB 3.4Å; L90-T94 PolarHBondContact O-N 3.15Å; L90-T94 PolarHBondContact O-OG1 3.42Å; L91-T94 PolarHBondContact O-N 3.09Å; T94-G96 VanDerWaalsContact C-N 3.29Å; T94-G96 PolarHBondContact O-N 2.91Å; T94-S97 WeakPolarHBondContact O-CB 3.45Å; T94-S97 PolarHBondContact O-N 3Å; T94-F98 HydrophobicContact CG2-CD2 4.23Å; T94-F98 HydrophobicContact CG2-CE2 3.91Å; T94-F98 VanDerWaalsContact O-CD2 3.25Å; T94-F98 WeakPolarHBondContact O-CD2 3.49Å; T94-F98 PolarHBondContact O-N 3.49Å; T94-F98 VanDerWaalsContact O-N 3.16Å
95	Y	98.1	Very high	97.9	Very high	143 Å²	143	84.7 Å²	84.7	56%	0.561	47%	0.471	S	S	*	.	H	α-helix	trans	-63.7	-35.6	173.5	-82.3	-70.3	0	0	0	112.2	L91 Y92 F98 A99 P105	L91-Y95 HydrophobicContact CB-CD2 4.5Å; L91-Y95 WeakPolarHBondContact O-CD2 3.11Å; L91-Y95 PolarHBondContact O-N 2.97Å; Y92-Y95 PolarHBondContact O-N 3.31Å; Y95-F98 PolarHBondContact O-N 3.09Å; Y95-A99 PolarHBondContact O-N 3.37Å; Y95-P105 HydrophobicContact CD1-CG 3.73Å; Y95-P105 HydrophobicContact CE1-CG 3.57Å
96	G	98.5	Very high	97.9	Very high	29 Å²	29	85.5 Å²	85.5	30%	0.299	47%	0.471	S	S	.	.	H	α-helix	trans	-58.7	-44.4	172	0	0	0	0	0	112.4	Y92 F93 T94 F98 A99 L100	Y92-G96 PolarHBondContact O-N 2.91Å; F93-G96 WeakPolarHBondContact O-CA 3.48Å; F93-G96 PolarHBondContact O-N 3.47Å; T94-G96 VanDerWaalsContact C-N 3.29Å; T94-G96 PolarHBondContact O-N 2.91Å; G96-F98 PolarHBondContact O-N 3.16Å; G96-A99 WeakPolarHBondContact O-CB 3.47Å; G96-A99 PolarHBondContact O-N 2.62Å; G96-L100 WeakPolarHBondContact O-CG 3.4Å; G96-L100 PolarHBondContact O-N 3.23Å
97	S	98.3	Very high	97.9	Very high	58 Å²	58	84.4 Å²	84.4	41%	0.406	46%	0.46	S	S	.	.	H	α-helix	trans	-60.3	-45	175	-62.4	0	0	0	0	111.9	F93 T94 A99 L100 I101	F93-S97 PolarHBondContact O-N 2.93Å; F93-S97 PolarHBondContact O-OG 3.27Å; T94-S97 WeakPolarHBondContact O-CB 3.45Å; T94-S97 PolarHBondContact O-N 3Å; S97-A99 VanDerWaalsContact C-N 3.32Å; S97-A99 PolarHBondContact O-N 2.99Å; S97-L100 PolarHBondContact O-N 2.98Å; S97-I101 WeakPolarHBondContact O-CG1 3.16Å; S97-I101 PolarHBondContact O-N 3.39Å
98	F	98.3	Very high	97.9	Very high	57 Å²	57	82.1 Å²	82.1	25%	0.25	45%	0.448	C	S	.	.	H	α-helix	trans	-58.5	-42.7	174.7	-79.8	-64.7	0	0	0	112.7	T94 Y95 G96 L100 I101 G102 V103 P105	T94-F98 HydrophobicContact CG2-CD2 4.23Å; T94-F98 HydrophobicContact CG2-CE2 3.91Å; T94-F98 VanDerWaalsContact O-CD2 3.25Å; T94-F98 WeakPolarHBondContact O-CD2 3.49Å; T94-F98 PolarHBondContact O-N 3.49Å; T94-F98 VanDerWaalsContact O-N 3.16Å; Y95-F98 PolarHBondContact O-N 3.09Å; G96-F98 PolarHBondContact O-N 3.16Å; F98-L100 VanDerWaalsContact C-N 3.34Å; F98-L100 PolarHBondContact O-N 3.24Å; F98-I101 HydrophobicContact CD1-CD1 4.16Å; F98-I101 WeakPolarHBondContact O-CG1 3.49Å; F98-I101 PolarHBondContact O-N 2.65Å; F98-G102 PolarHBondContact O-N 2.98Å; F98-G102 VanDerWaalsContact O-N 3.1Å; F98-V103 HydrophobicContact CD1-CB 4.11Å; F98-V103 HydrophobicContact CD1-CG1 3.94Å; F98-V103 HydrophobicContact CE1-CG1 4.29Å; F98-V103 PolarHBondContact O-N 3.11Å; F98-P105 HydrophobicContact CB-CB 4.36Å; F98-P105 HydrophobicContact CB-CG 4.1Å; F98-P105 HydrophobicContact CD1-CB 3.84Å; F98-P105 HydrophobicContact CD1-CG 4.48Å; F98-P105 HydrophobicContact CD2-CB 3.59Å; F98-P105 HydrophobicContact CD2-CG 3.92Å; F98-P105 HydrophobicContact CE1-CB 3.96Å; F98-P105 HydrophobicContact CE2-CB 3.7Å; F98-P105 HydrophobicContact CE2-CG 4.48Å; F98-P105 HydrophobicContact CG-CB 3.67Å; F98-P105 HydrophobicContact CG-CG 3.93Å; F98-P105 HydrophobicContact CZ-CB 3.89Å
99	A	97.8	Very high	97.9	Very high	79 Å²	79	83.3 Å²	83.3	65%	0.653	45%	0.447	S	S	*	.	H	α-helix	trans	-62.5	-40.6	175.7	0	0	0	0	0	112.2	Y95 G96 S97 G102	Y95-A99 PolarHBondContact O-N 3.37Å; G96-A99 WeakPolarHBondContact O-CB 3.47Å; G96-A99 PolarHBondContact O-N 2.62Å; S97-A99 VanDerWaalsContact C-N 3.32Å; S97-A99 PolarHBondContact O-N 2.99Å; A99-G102 PolarHBondContact O-N 3.46Å
100	L	98	Very high	97.9	Very high	157 Å²	157	83.6 Å²	83.6	82%	0.822	45%	0.445	S	S	*	.	H	α-helix	trans	-70	-29.5	179.5	-70	173.4	0	0	0	113.4	G96 S97 F98	G96-L100 WeakPolarHBondContact O-CG 3.4Å; G96-L100 PolarHBondContact O-N 3.23Å; S97-L100 PolarHBondContact O-N 2.98Å; F98-L100 VanDerWaalsContact C-N 3.34Å; F98-L100 PolarHBondContact O-N 3.24Å
101	I	96.2	Very high	97.9	Very high	111 Å²	111	80.8 Å²	80.8	57%	0.569	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.4	2.5	174.5	68.9	178.2	0	0	0	113.2	S97 F98 V103	S97-I101 WeakPolarHBondContact O-CG1 3.16Å; S97-I101 PolarHBondContact O-N 3.39Å; F98-I101 HydrophobicContact CD1-CD1 4.16Å; F98-I101 WeakPolarHBondContact O-CG1 3.49Å; F98-I101 PolarHBondContact O-N 2.65Å; I101-V103 VanDerWaalsContact C-N 3.33Å; I101-V103 HydrophobicContact CD1-CB 4.18Å; I101-V103 HydrophobicContact CD1-CG2 4.04Å; I101-V103 HydrophobicContact CG1-CB 3.98Å; I101-V103 HydrophobicContact CG1-CG2 3.91Å; I101-V103 PolarHBondContact O-N 2.9Å
102	G	96.8	Very high	97.9	Very high	64 Å²	64	78.1 Å²	78.1	66%	0.66	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.4	30.6	177.3	0	0	0	0	0	114.4	F98 A99	F98-G102 PolarHBondContact O-N 2.98Å; F98-G102 VanDerWaalsContact O-N 3.1Å; A99-G102 PolarHBondContact O-N 3.46Å
103	V	97.8	Very high	97.9	Very high	25 Å²	25	71.1 Å²	71.1	15%	0.152	39%	0.392	C	S	.	.			trans	-111.5	128.9	179.9	171.5	0	0	0	0	109.6	F98 I101 P105 I108	F98-V103 HydrophobicContact CD1-CB 4.11Å; F98-V103 HydrophobicContact CD1-CG1 3.94Å; F98-V103 HydrophobicContact CE1-CG1 4.29Å; F98-V103 PolarHBondContact O-N 3.11Å; I101-V103 VanDerWaalsContact C-N 3.33Å; I101-V103 HydrophobicContact CD1-CB 4.18Å; I101-V103 HydrophobicContact CD1-CG2 4.04Å; I101-V103 HydrophobicContact CG1-CB 3.98Å; I101-V103 HydrophobicContact CG1-CG2 3.91Å; I101-V103 PolarHBondContact O-N 2.9Å; V103-P105 VanDerWaalsContact O-CD 3.29Å; V103-P105 WeakPolarHBondContact O-CD 3.46Å; V103-I108 HydrophobicContact CG1-CD1 3.48Å; V103-I108 VanDerWaalsContact CG1-CD1 3.48Å
104	D	97.8	Very high	97.9	Very high	78 Å²	78	71.5 Å²	71.5	42%	0.417	39%	0.389	S	S	.	.			trans	-77.8	113	165.8	174.1	11.3	0	0	0	109	Q106 P107 Q158	D104-Q106 VanDerWaalsContact C-N 3.34Å; D104-Q106 PolarHBondContact OD1-N 3.48Å; D104-P107 WeakPolarHBondContact OD2-CD 3.39Å; D104-Q158 PolarHBondContact O-NE2 3.46Å
105	P	97.8	Very high	97.9	Very high	21 Å²	21	68.1 Å²	68.1	14%	0.136	37%	0.369	C	S	.	.	H	α-helix	trans	-78.3	-15.5	-176.1	31.6	-35.3	0	0	0	113.8	Y95 F98 V103 I108 F109	Y95-P105 HydrophobicContact CD1-CG 3.73Å; Y95-P105 HydrophobicContact CE1-CG 3.57Å; F98-P105 HydrophobicContact CB-CB 4.36Å; F98-P105 HydrophobicContact CB-CG 4.1Å; F98-P105 HydrophobicContact CD1-CB 3.84Å; F98-P105 HydrophobicContact CD1-CG 4.48Å; F98-P105 HydrophobicContact CD2-CB 3.59Å; F98-P105 HydrophobicContact CD2-CG 3.92Å; F98-P105 HydrophobicContact CE1-CB 3.96Å; F98-P105 HydrophobicContact CE2-CB 3.7Å; F98-P105 HydrophobicContact CE2-CG 4.48Å; F98-P105 HydrophobicContact CG-CB 3.67Å; F98-P105 HydrophobicContact CG-CG 3.93Å; F98-P105 HydrophobicContact CZ-CB 3.89Å; V103-P105 VanDerWaalsContact O-CD 3.29Å; V103-P105 WeakPolarHBondContact O-CD 3.46Å; P105-I108 PolarHBondContact O-N 3.03Å; P105-F109 WeakPolarHBondContact O-CB 3.31Å; P105-F109 PolarHBondContact O-N 3.27Å
106	Q	97.8	Very high	97.9	Very high	119 Å²	119	63.4 Å²	63.4	56%	0.556	35%	0.353	S	S	*	.	H	α-helix	trans	-61.9	-50.5	-171.1	173.9	175.6	-12.7	0	0	112.8	D104 I108 F109 E110	D104-Q106 VanDerWaalsContact C-N 3.34Å; D104-Q106 PolarHBondContact OD1-N 3.48Å; Q106-I108 VanDerWaalsContact C-N 3.27Å; Q106-I108 PolarHBondContact O-N 3.28Å; Q106-F109 PolarHBondContact O-N 2.96Å; Q106-E110 PolarHBondContact NE2-OE1 3.28Å; Q106-E110 PolarHBondContact O-N 3.43Å; Q106-E110 VanDerWaalsContact O-N 3.1Å
107	P	98.1	Very high	97.8	Very high	28 Å²	28	63.9 Å²	63.9	18%	0.182	35%	0.348	C	S	.	.	H	α-helix	trans	-63.6	-33.9	178.3	-22.5	35	0	0	0	112.8	D104 E110 I111 E154	D104-P107 WeakPolarHBondContact OD2-CD 3.39Å; P107-E110 PolarHBondContact O-N 2.94Å; P107-I111 WeakPolarHBondContact O-CG1 3.37Å; P107-I111 PolarHBondContact O-N 3.07Å; P107-E154 HydrophobicContact CB-CG 3.95Å
108	I	98.3	Very high	97.8	Very high	19 Å²	19	61.5 Å²	61.5	10%	0.097	33%	0.333	C	S	.	.	H	α-helix	trans	-64.6	-44.2	176.4	-65.9	174.4	0	0	0	110.1	V103 P105 Q106 E110 I111 V112 I151 E154 I155	V103-I108 HydrophobicContact CG1-CD1 3.48Å; V103-I108 VanDerWaalsContact CG1-CD1 3.48Å; P105-I108 PolarHBondContact O-N 3.03Å; Q106-I108 VanDerWaalsContact C-N 3.27Å; Q106-I108 PolarHBondContact O-N 3.28Å; I108-E110 VanDerWaalsContact C-N 3.3Å; I108-E110 PolarHBondContact O-N 3.42Å; I108-I111 WeakPolarHBondContact O-CB 3.45Å; I108-I111 PolarHBondContact O-N 3.25Å; I108-V112 WeakPolarHBondContact O-CG2 3.4Å; I108-V112 PolarHBondContact O-N 2.95Å; I108-I151 HydrophobicContact CG2-CD1 4.16Å; I108-I151 HydrophobicContact CG2-CG1 4.07Å; I108-I151 HydrophobicContact CG2-CG2 4.33Å; I108-E154 HydrophobicContact CG1-CG 4.06Å; I108-I155 HydrophobicContact CD1-CG1 4.19Å
109	F	98	Very high	97.8	Very high	100 Å²	100	60.3 Å²	60.3	44%	0.439	33%	0.328	S	S	.	.	H	α-helix	trans	-64.3	-35.5	177.8	-169.1	-95.5	0	0	0	112.1	M1 P105 Q106 V112 H113	M1-F109 HydrophobicContact CB-CE1 3.7Å; M1-F109 HydrophobicContact CB-CZ 4.5Å; M1-F109 HydrophobicContact CE-CD1 3.37Å; M1-F109 HydrophobicContact CE-CE1 3.63Å; M1-F109 HydrophobicContact CG-CE1 4.29Å; M1-F109 HydrophobicContact SD-CD1 3.6Å; M1-F109 HydrophobicContact SD-CE1 3.74Å; P105-F109 WeakPolarHBondContact O-CB 3.31Å; P105-F109 PolarHBondContact O-N 3.27Å; Q106-F109 PolarHBondContact O-N 2.96Å; F109-V112 PolarHBondContact O-N 3.02Å; F109-H113 WeakPolarHBondContact O-CB 3.02Å; F109-H113 PolarHBondContact O-N 3.27Å
110	E	98.4	Very high	97.7	Very high	85 Å²	85	59.1 Å²	59.1	40%	0.397	31%	0.31	S	S	.	.	H	α-helix	trans	-66	-39.8	173.8	-69.6	172.8	-172.3	0	0	112.6	M1 Q106 P107 I108 H113 R114	M1-E110 HydrophobicContact CE-CG 4.2Å; M1-E110 HydrophobicContact SD-CG 4.14Å; Q106-E110 PolarHBondContact NE2-OE1 3.28Å; Q106-E110 PolarHBondContact O-N 3.43Å; Q106-E110 VanDerWaalsContact O-N 3.1Å; P107-E110 PolarHBondContact O-N 2.94Å; I108-E110 VanDerWaalsContact C-N 3.3Å; I108-E110 PolarHBondContact O-N 3.42Å; E110-H113 PolarHBondContact O-N 3.34Å; E110-R114 PolarHBondContact O-N 2.83Å
111	I	98.4	Very high	97.7	Very high	23 Å²	23	53 Å²	53	12%	0.118	28%	0.277	C	S	.	.	H	α-helix	trans	-60.2	-49.4	173.1	-70.7	161.9	0	0	0	110.1	P107 I108 H113 R114 A115 P147 L150 I151 E154	P107-I111 WeakPolarHBondContact O-CG1 3.37Å; P107-I111 PolarHBondContact O-N 3.07Å; I108-I111 WeakPolarHBondContact O-CB 3.45Å; I108-I111 PolarHBondContact O-N 3.25Å; I111-H113 VanDerWaalsContact C-N 3.34Å; I111-H113 PolarHBondContact O-N 3.43Å; I111-R114 PolarHBondContact O-N 3.27Å; I111-A115 WeakPolarHBondContact O-CB 3.44Å; I111-A115 PolarHBondContact O-N 3.4Å; I111-P147 HydrophobicContact CG2-CB 3.83Å; I111-L150 HydrophobicContact CD1-CB 4.07Å; I111-L150 HydrophobicContact CG1-CB 4.32Å; I111-L150 HydrophobicContact CG2-CB 3.7Å; I111-L150 HydrophobicContact CG2-CD1 4.19Å; I111-I151 HydrophobicContact CG2-CG1 4.05Å; I111-E154 HydrophobicContact CD1-CB 3.99Å; I111-E154 HydrophobicContact CD1-CG 4.42Å
112	V	98	Very high	97.7	Very high	48 Å²	48	53.6 Å²	53.6	29%	0.291	29%	0.288	S	S	.	.	H	α-helix	trans	-62.9	-40	178.3	171.6	0	0	0	0	111.4	I108 F109 A115 N116 P147 I151	I108-V112 WeakPolarHBondContact O-CG2 3.4Å; I108-V112 PolarHBondContact O-N 2.95Å; F109-V112 PolarHBondContact O-N 3.02Å; V112-A115 PolarHBondContact O-N 3.09Å; V112-N116 WeakPolarHBondContact O-CB 3.48Å; V112-N116 PolarHBondContact O-N 3.13Å; V112-N116 PolarHBondContact O-ND2 2.79Å; V112-P147 HydrophobicContact CG2-CB 4.36Å; V112-I151 HydrophobicContact CG2-CD1 3.98Å
113	H	98.2	Very high	97.6	Very high	28 Å²	28	54.7 Å²	54.7	13%	0.13	28%	0.279	C	S	.	.	H	α-helix	trans	-61.1	-47.4	175.2	-178.2	59.1	0	0	0	111.4	M1 E4 F109 E110 I111 A115 N116 M117	M1-H113 WeakPolarHBondContact CA-CE1 3.47Å; M1-H113 WeakPolarHBondContact CA-ND1 3.49Å; M1-H113 HydrophobicContact CB-CB 4.26Å; M1-H113 HydrophobicContact CG-CB 4.13Å; M1-H113 PolarHBondContact O-CE1 3.13Å; M1-H113 VanDerWaalsContact O-CE1 3.25Å; M1-H113 HydrophobicContact SD-CB 3.68Å; E4-H113 IonicContact OE1-NE2 3.78Å; E4-H113 IonicContact OE2-CE1 3.82Å; E4-H113 PolarHBondContact OE2-CE1 3.47Å; E4-H113 VanDerWaalsContact OE2-CE1 3.28Å; E4-H113 IonicContact OE2-NE2 3.24Å; E4-H113 PolarHBondContact OE2-NE2 3.24Å; F109-H113 WeakPolarHBondContact O-CB 3.02Å; F109-H113 PolarHBondContact O-N 3.27Å; E110-H113 PolarHBondContact O-N 3.34Å; I111-H113 VanDerWaalsContact C-N 3.34Å; I111-H113 PolarHBondContact O-N 3.43Å; H113-A115 VanDerWaalsContact C-N 3.32Å; H113-A115 PolarHBondContact O-N 2.85Å; H113-N116 PolarHBondContact O-N 3.01Å; H113-M117 VanDerWaalsContact CE1-CG 3.47Å; H113-M117 WeakPolarHBondContact CE1-CG 3.44Å; H113-M117 WeakPolarHBondContact O-CG 3.42Å; H113-M117 PolarHBondContact O-N 3.23Å
114	R	97.9	Very high	97.5	Very high	155 Å²	155	55.7 Å²	55.7	59%	0.585	29%	0.294	S	S	*	.	H	α-helix	trans	-58.9	-44.1	175.9	-171.9	-175.2	-58.3	165	5.3	111.7	E110 I111 N116 M117 G118	E110-R114 PolarHBondContact O-N 2.83Å; I111-R114 PolarHBondContact O-N 3.27Å; R114-N116 VanDerWaalsContact C-N 3.32Å; R114-N116 PolarHBondContact O-N 2.9Å; R114-M117 PolarHBondContact O-N 3.18Å; R114-G118 PolarHBondContact O-N 3.34Å
115	A	98.1	Very high	97.4	Very high	3 Å²	3	58.3 Å²	58.3	3%	0.025	30%	0.301	C	S	.	.	H	α-helix	trans	-59.8	-43.3	176.7	0	0	0	0	0	112.1	I111 V112 H113 G118 W141 Y145 P147	I111-A115 WeakPolarHBondContact O-CB 3.44Å; I111-A115 PolarHBondContact O-N 3.4Å; V112-A115 PolarHBondContact O-N 3.09Å; H113-A115 VanDerWaalsContact C-N 3.32Å; H113-A115 PolarHBondContact O-N 2.85Å; A115-G118 PolarHBondContact O-N 3.45Å; A115-W141 HydrophobicContact CB-CZ2 4.1Å; A115-W141 PolarHBondContact O-NE1 3.43Å; A115-Y145 WeakPolarHBondContact CA-O 3.42Å; A115-Y145 WeakPolarHBondContact CB-O 3.48Å; A115-P147 HydrophobicContact CB-CB 3.91Å; A115-P147 HydrophobicContact CB-CG 4.05Å
116	N	97.5	Very high	97.3	Very high	45 Å²	45	59.1 Å²	59.1	24%	0.241	31%	0.307	C	S	.	.	H	α-helix	trans	-66.6	-40.4	177.6	-80.3	-36.3	0	0	0	112.7	F5 V112 H113 R114 G118 K119	F5-N116 HydrophobicContact CD2-CB 3.8Å; F5-N116 HydrophobicContact CE2-CB 3.89Å; V112-N116 WeakPolarHBondContact O-CB 3.48Å; V112-N116 PolarHBondContact O-N 3.13Å; V112-N116 PolarHBondContact O-ND2 2.79Å; H113-N116 PolarHBondContact O-N 3.01Å; R114-N116 VanDerWaalsContact C-N 3.32Å; R114-N116 PolarHBondContact O-N 2.9Å; N116-G118 VanDerWaalsContact C-N 3.32Å; N116-K119 VanDerWaalsContact O-CB 3.28Å; N116-K119 WeakPolarHBondContact O-CB 3.48Å; N116-K119 WeakPolarHBondContact O-CG 3.45Å; N116-K119 PolarHBondContact O-N 3.47Å; N116-K119 WeakPolarHBondContact OD1-CE 3.31Å; N116-K119 PolarHBondContact OD1-NZ 3.24Å
117	M	97.5	Very high	97.3	Very high	38 Å²	38	59.5 Å²	59.5	19%	0.187	30%	0.303	C	S	.	.	H	α-helix	trans	-69.3	-30.3	175.6	-66.1	-56.8	-65.5	0	0	112.5	E4 F5 T8 F9 H113 R114 K119 L120	E4-M117 HydrophobicContact CG-CE 4.19Å; E4-M117 HydrophobicContact CG-SD 4.45Å; F5-M117 HydrophobicContact CB-SD 4.34Å; F5-M117 HydrophobicContact CD2-SD 4.36Å; T8-M117 HydrophobicContact CG2-CE 3.99Å; T8-M117 WeakPolarHBondContact OG1-CE 3.35Å; F9-M117 HydrophobicContact CE2-SD 4.11Å; H113-M117 VanDerWaalsContact CE1-CG 3.47Å; H113-M117 WeakPolarHBondContact CE1-CG 3.44Å; H113-M117 WeakPolarHBondContact O-CG 3.42Å; H113-M117 PolarHBondContact O-N 3.23Å; R114-M117 PolarHBondContact O-N 3.18Å; M117-K119 PolarHBondContact O-N 3.48Å; M117-L120 PolarHBondContact O-N 2.93Å
118	G	97.2	Very high	97.2	Very high	8 Å²	8	61.1 Å²	61.1	8%	0.082	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-7	172	0	0	0	0	0	114.7	R114 A115 N116 L120 W141	R114-G118 PolarHBondContact O-N 3.34Å; A115-G118 PolarHBondContact O-N 3.45Å; N116-G118 VanDerWaalsContact C-N 3.32Å; G118-L120 PolarHBondContact O-N 2.91Å; G118-W141 VanDerWaalsContact O-CD1 3.31Å
119	K	97.9	Very high	96.9	Very high	33 Å²	33	64 Å²	64	14%	0.143	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-2.9	175.5	-65.1	174.7	176.6	165.1	0	113.9	F9 N116 M117 V135 K137	F9-K119 HydrophobicContact CE1-CB 3.8Å; F9-K119 HydrophobicContact CZ-CB 3.77Å; N116-K119 VanDerWaalsContact O-CB 3.28Å; N116-K119 WeakPolarHBondContact O-CB 3.48Å; N116-K119 WeakPolarHBondContact O-CG 3.45Å; N116-K119 PolarHBondContact O-N 3.47Å; N116-K119 WeakPolarHBondContact OD1-CE 3.31Å; N116-K119 PolarHBondContact OD1-NZ 3.24Å; M117-K119 PolarHBondContact O-N 3.48Å; K119-V135 HydrophobicContact CB-CG1 3.84Å; K119-V135 HydrophobicContact CD-CB 4.47Å; K119-V135 HydrophobicContact CD-CG1 3.8Å; K119-V135 HydrophobicContact CG-CG1 4.4Å; K119-K137 HydrophobicContact CG-CG 4.33Å
120	L	97.1	Very high	96.6	Very high	53 Å²	53	65 Å²	65	28%	0.277	34%	0.335	S	S	.	.	S	Bend	trans	-65.3	136.3	169.2	-74.1	176.8	0	0	0	110.1	T8 F9 M117 G118 G124	T8-L120 HydrophobicContact CG2-CD1 4Å; T8-L120 HydrophobicContact CG2-CD2 3.78Å; T8-L120 HydrophobicContact CG2-CG 4.11Å; F9-L120 HydrophobicContact CE1-CD2 4.16Å; F9-L120 HydrophobicContact CE1-CG 4.5Å; F9-L120 HydrophobicContact CZ-CD2 3.95Å; F9-L120 HydrophobicContact CZ-CG 3.87Å; M117-L120 PolarHBondContact O-N 2.93Å; G118-L120 PolarHBondContact O-N 2.91Å; L120-G124 WeakPolarHBondContact CD2-O 3.47Å
121	F	97.1	Very high	96	Very high	30 Å²	30	67 Å²	67	13%	0.132	35%	0.353	C	S	.	.			trans	-74.3	166.5	174.5	-82.9	-110.9	0	0	0	110.6	D123 G124 K125 R127 M136 K137 P138	F121-D123 WeakPolarHBondContact CB-OD1 3.28Å; F121-D123 PolarHBondContact O-N 3.25Å; F121-G124 WeakPolarHBondContact O-CA 3.37Å; F121-G124 PolarHBondContact O-N 2.91Å; F121-K125 WeakPolarHBondContact CB-O 3.39Å; F121-K125 PolarHBondContact N-O 3.33Å; F121-R127 HydrophobicContact CD1-CG 4.24Å; F121-R127 HydrophobicContact CD2-CB 4.01Å; F121-R127 HydrophobicContact CD2-CG 3.58Å; F121-R127 HydrophobicContact CE1-CG 4.27Å; F121-R127 HydrophobicContact CE2-CB 3.61Å; F121-R127 HydrophobicContact CE2-CG 3.63Å; F121-R127 HydrophobicContact CG-CG 3.91Å; F121-R127 HydrophobicContact CZ-CB 4.03Å; F121-R127 HydrophobicContact CZ-CG 3.98Å; F121-M136 HydrophobicContact CE2-CB 4.19Å; F121-M136 HydrophobicContact CZ-CB 4.29Å; F121-K137 WeakPolarHBondContact CZ-O 3.34Å; F121-P138 HydrophobicContact CD1-CB 4.27Å; F121-P138 HydrophobicContact CE1-CB 4.32Å; F121-P138 HydrophobicContact CG-CB 4.41Å; F121-P138 HydrophobicContact CZ-CB 4.48Å
122	P	95.5	Very high	95.4	Very high	122 Å²	122	70 Å²	70	79%	0.792	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	-20.6	-178.4	-29.2	36.5	0	0	0	115.3	G124	P122-G124 PolarHBondContact O-N 3.04Å
123	D	96.2	Very high	94.8	Very high	88 Å²	88	72.4 Å²	72.4	47%	0.471	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.2	4.2	173.8	66.1	-8.8	0	0	0	113.8	F121 K125	F121-D123 WeakPolarHBondContact CB-OD1 3.28Å; F121-D123 PolarHBondContact O-N 3.25Å; D123-K125 VanDerWaalsContact C-N 3.29Å; D123-K125 PolarHBondContact O-N 3.08Å; D123-K125 WeakPolarHBondContact OD1-CB 3.44Å; D123-K125 PolarHBondContact OD1-N 2.96Å
124	G	95	Very high	94.4	Very high	46 Å²	46	77.8 Å²	77.8	47%	0.474	41%	0.407	S	S	.	.	S	Bend	trans	74.5	13.6	-177.4	0	0	0	0	0	114.1	L120 F121 P122	L120-G124 WeakPolarHBondContact CD2-O 3.47Å; F121-G124 WeakPolarHBondContact O-CA 3.37Å; F121-G124 PolarHBondContact O-N 2.91Å; P122-G124 PolarHBondContact O-N 3.04Å
125	K	95.5	Very high	94.2	Very high	132 Å²	132	71.8 Å²	71.8	57%	0.574	39%	0.387	S	S	*	.			trans	-113.1	146.7	-176.5	-63.6	179	-177	174.3	0	112.5	F121 D123	F121-K125 WeakPolarHBondContact CB-O 3.39Å; F121-K125 PolarHBondContact N-O 3.33Å; D123-K125 VanDerWaalsContact C-N 3.29Å; D123-K125 PolarHBondContact O-N 3.08Å; D123-K125 WeakPolarHBondContact OD1-CB 3.44Å; D123-K125 PolarHBondContact OD1-N 2.96Å
126	P	96.6	Very high	94.1	Very high	38 Å²	38	75.4 Å²	75.4	25%	0.247	41%	0.405	C	S	.	.			trans	-74.9	152.3	172.2	32.6	-36.1	0	0	0	111	F9 Y128	F9-P126 HydrophobicContact CD1-CB 3.48Å; F9-P126 VanDerWaalsContact CD1-CB 3.48Å; F9-P126 HydrophobicContact CE1-CB 3.76Å; F9-P126 HydrophobicContact CG-CB 4.46Å; P126-Y128 HydrophobicContact CB-CE2 3.94Å; P126-Y128 WeakPolarHBondContact CB-OH 3.43Å; P126-Y128 HydrophobicContact CG-CE2 3.87Å; P126-Y128 VanDerWaalsContact CG-OH 3.25Å; P126-Y128 WeakPolarHBondContact CG-OH 3.32Å
127	R	96.2	Very high	94.1	Very high	128 Å²	128	78.1 Å²	78.1	48%	0.483	41%	0.414	S	S	.	.			trans	-122.3	150.1	167.1	-59.5	-167.6	-170.6	-160.9	1.2	110	F121 M136	F121-R127 HydrophobicContact CD1-CG 4.24Å; F121-R127 HydrophobicContact CD2-CB 4.01Å; F121-R127 HydrophobicContact CD2-CG 3.58Å; F121-R127 HydrophobicContact CE1-CG 4.27Å; F121-R127 HydrophobicContact CE2-CB 3.61Å; F121-R127 HydrophobicContact CE2-CG 3.63Å; F121-R127 HydrophobicContact CG-CG 3.91Å; F121-R127 HydrophobicContact CZ-CB 4.03Å; F121-R127 HydrophobicContact CZ-CG 3.98Å; R127-M136 HydrophobicContact CB-CB 4.14Å; R127-M136 HydrophobicContact CB-SD 4.28Å; R127-M136 PolarHBondContact O-N 3.42Å
128	Y	96	Very high	94.1	Very high	62 Å²	62	76.8 Å²	76.8	24%	0.243	41%	0.408	C	S	.	.	B	Isolated β-bridge	trans	-128.5	141.8	-175.8	-53.4	-89	0	0	0	110.1	A10 P126 N133 K134 V135	A10-Y128 HydrophobicContact CB-CE1 4.33Å; A10-Y128 WeakPolarHBondContact CB-OH 3.23Å; A10-Y128 PolarHBondContact N-OH 3.17Å; P126-Y128 HydrophobicContact CB-CE2 3.94Å; P126-Y128 WeakPolarHBondContact CB-OH 3.43Å; P126-Y128 HydrophobicContact CG-CE2 3.87Å; P126-Y128 VanDerWaalsContact CG-OH 3.25Å; P126-Y128 WeakPolarHBondContact CG-OH 3.32Å; Y128-N133 WeakPolarHBondContact CB-OD1 3.25Å; Y128-N133 WeakPolarHBondContact CD1-O 3.46Å; Y128-K134 CarbonylContact C-O 3.52Å; Y128-K134 WeakPolarHBondContact CA-O 3.35Å; Y128-V135 HydrophobicContact CD1-CG2 4.15Å; Y128-V135 HydrophobicContact CE1-CG2 3.86Å
129	H	92.9	Very high	94.1	Very high	78 Å²	78	86 Å²	86	36%	0.361	45%	0.45	S	S	.	.			trans	-62.6	129.8	172.6	-176.9	-100.3	0	0	0	109.5	V131 T132 N133 K134	H129-V131 PolarHBondContact O-N 3.49Å; H129-V131 VanDerWaalsContact O-N 3.1Å; H129-T132 WeakPolarHBondContact CB-OG1 3.41Å; H129-T132 PolarHBondContact ND1-N 3.27Å; H129-T132 PolarHBondContact ND1-OG1 3.46Å; H129-N133 WeakPolarHBondContact O-CA 3.49Å; H129-N133 PolarHBondContact O-N 3.29Å; H129-K134 HydrophobicContact CB-CB 4.44Å; H129-K134 PolarHBondContact N-O 3.03Å
130	P	91.3	Very high	93.9	Very high	121 Å²	121	87.6 Å²	87.6	79%	0.786	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-23.8	-167.6	23.5	-34.7	0	0	0	114.2
131	V	85.7	Confident	94	Very high	128 Å²	128	85.5 Å²	85.5	78%	0.776	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.9	-44.7	-178.6	-177.7	0	0	0	0	112.1	H129	H129-V131 PolarHBondContact O-N 3.49Å; H129-V131 VanDerWaalsContact O-N 3.1Å
132	T	85.8	Confident	93.9	Very high	85 Å²	85	89.6 Å²	89.6	52%	0.521	47%	0.468	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.9	-11.6	-171.1	61.1	0	0	0	0	112.6	H129 K134	H129-T132 WeakPolarHBondContact CB-OG1 3.41Å; H129-T132 PolarHBondContact ND1-N 3.27Å; H129-T132 PolarHBondContact ND1-OG1 3.46Å; T132-K134 PolarHBondContact O-N 2.93Å; T132-K134 VanDerWaalsContact O-N 3.09Å; T132-K134 PolarHBondContact OG1-N 3.29Å
133	N	85.9	Confident	93.9	Very high	99 Å²	99	91.9 Å²	91.9	53%	0.529	47%	0.467	S	S	.	.			trans	55.6	20	-172.3	-156.1	49.8	0	0	0	113.8	Y128 H129	Y128-N133 WeakPolarHBondContact CB-OD1 3.25Å; Y128-N133 WeakPolarHBondContact CD1-O 3.46Å; H129-N133 WeakPolarHBondContact O-CA 3.49Å; H129-N133 PolarHBondContact O-N 3.29Å
134	K	89.1	Confident	93.8	Very high	142 Å²	142	91.8 Å²	91.8	62%	0.617	47%	0.467	S	S	*	.	P	Polyproline II helix	trans	-68.8	136	176	-171.2	171.2	-176.7	168.2	0	109.4	Y128 H129 T132 M136	Y128-K134 CarbonylContact C-O 3.52Å; Y128-K134 WeakPolarHBondContact CA-O 3.35Å; H129-K134 HydrophobicContact CB-CB 4.44Å; H129-K134 PolarHBondContact N-O 3.03Å; T132-K134 PolarHBondContact O-N 2.93Å; T132-K134 VanDerWaalsContact O-N 3.09Å; T132-K134 PolarHBondContact OG1-N 3.29Å; K134-M136 PolarHBondContact O-N 2.93Å
135	V	94.6	Very high	93.9	Very high	28 Å²	28	93.9 Å²	93.9	17%	0.17	46%	0.461	C	S	.	.	B	Isolated β-bridge	trans	-60.1	125	175.1	178.7	0	0	0	0	109.5	F5 F9 K119 Y128	F5-V135 HydrophobicContact CZ-CG2 4.17Å; F9-V135 HydrophobicContact CB-CG2 4.1Å; F9-V135 HydrophobicContact CD1-CB 4.36Å; F9-V135 HydrophobicContact CD1-CG1 3.45Å; F9-V135 VanDerWaalsContact CD1-CG1 3.45Å; F9-V135 HydrophobicContact CD1-CG2 3.9Å; F9-V135 HydrophobicContact CE1-CG1 3.57Å; F9-V135 HydrophobicContact CG-CG1 4.42Å; F9-V135 HydrophobicContact CG-CG2 4.29Å; K119-V135 HydrophobicContact CB-CG1 3.84Å; K119-V135 HydrophobicContact CD-CB 4.47Å; K119-V135 HydrophobicContact CD-CG1 3.8Å; K119-V135 HydrophobicContact CG-CG1 4.4Å; Y128-V135 HydrophobicContact CD1-CG2 4.15Å; Y128-V135 HydrophobicContact CE1-CG2 3.86Å
136	M	96.4	Very high	94	Very high	79 Å²	79	88 Å²	88	39%	0.389	44%	0.437	S	S	.	.	P	Polyproline II helix	trans	-85.4	160.6	178.1	-62.6	-176.6	67.7	0	0	111.3	F121 R127 K134	F121-M136 HydrophobicContact CE2-CB 4.19Å; F121-M136 HydrophobicContact CZ-CB 4.29Å; R127-M136 HydrophobicContact CB-CB 4.14Å; R127-M136 HydrophobicContact CB-SD 4.28Å; R127-M136 PolarHBondContact O-N 3.42Å; K134-M136 PolarHBondContact O-N 2.93Å
137	K	97.3	Very high	94	Very high	102 Å²	102	86.9 Å²	86.9	44%	0.443	43%	0.43	S	S	.	.			trans	-107.2	141.3	178.9	-63.5	167.3	173.8	-171.4	0	109.5	K119 F121 W141	K119-K137 HydrophobicContact CG-CG 4.33Å; F121-K137 WeakPolarHBondContact CZ-O 3.34Å; K137-W141 HydrophobicContact CB-CB 3.86Å; K137-W141 HydrophobicContact CB-CD2 4.19Å; K137-W141 HydrophobicContact CB-CG 3.88Å; K137-W141 HydrophobicContact CD-CD2 3.75Å; K137-W141 HydrophobicContact CD-CE3 3.49Å; K137-W141 VanDerWaalsContact CD-CE3 3.49Å; K137-W141 HydrophobicContact CD-CG 4.35Å; K137-W141 HydrophobicContact CD-CH2 4.38Å; K137-W141 HydrophobicContact CD-CZ3 3.86Å; K137-W141 VanDerWaalsContact CE-CZ3 3.49Å; K137-W141 HydrophobicContact CG-CD2 3.84Å; K137-W141 HydrophobicContact CG-CE3 4.13Å; K137-W141 HydrophobicContact CG-CG 4.02Å
138	P	97	Very high	94.1	Very high	10 Å²	10	85.9 Å²	85.9	7%	0.065	43%	0.431	C	S	.	.			trans	-68	166	166.7	29.1	-34.2	0	0	0	111.3	F121 D140 W141	F121-P138 HydrophobicContact CD1-CB 4.27Å; F121-P138 HydrophobicContact CE1-CB 4.32Å; F121-P138 HydrophobicContact CG-CB 4.41Å; F121-P138 HydrophobicContact CZ-CB 4.48Å; P138-D140 VanDerWaalsContact C-N 3.33Å; P138-D140 PolarHBondContact O-N 3.2Å; P138-W141 HydrophobicContact CG-CB 3.95Å; P138-W141 WeakPolarHBondContact O-CB 3.07Å; P138-W141 PolarHBondContact O-N 3.47Å; P138-W141 VanDerWaalsContact O-N 3.14Å
139	E	96.3	Very high	94.1	Very high	203 Å²	203	86.4 Å²	86.4	95%	0.949	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-37.1	-172.8	-171.6	169	-159.8	0	0	113	W141	E139-W141 VanDerWaalsContact C-N 3.3Å; E139-W141 PolarHBondContact O-N 3.24Å
140	D	95	Very high	94.3	Very high	65 Å²	65	85.8 Å²	85.8	35%	0.348	44%	0.441	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.3	-0.3	179.1	69.2	-34.7	0	0	0	113.5	P138 Q142 Q143 N144	P138-D140 VanDerWaalsContact C-N 3.33Å; P138-D140 PolarHBondContact O-N 3.2Å; D140-Q142 VanDerWaalsContact C-N 3.35Å; D140-Q142 PolarHBondContact O-N 3Å; D140-Q143 PolarHBondContact O-N 2.73Å; D140-N144 WeakPolarHBondContact O-CB 3.49Å; D140-N144 PolarHBondContact O-N 2.91Å; D140-N144 PolarHBondContact OD2-ND2 3.05Å
141	W	97.8	Very high	94.7	Very high	10 Å²	10	81.9 Å²	81.9	4%	0.038	41%	0.413	C	S	.	.	H	α-helix	trans	-58.5	-45.1	-173.7	-175.2	85.1	0	0	0	112.8	A115 G118 K137 P138 E139 Q143 N144 Y145 A146	A115-W141 HydrophobicContact CB-CZ2 4.1Å; A115-W141 PolarHBondContact O-NE1 3.43Å; G118-W141 VanDerWaalsContact O-CD1 3.31Å; K137-W141 HydrophobicContact CB-CB 3.86Å; K137-W141 HydrophobicContact CB-CD2 4.19Å; K137-W141 HydrophobicContact CB-CG 3.88Å; K137-W141 HydrophobicContact CD-CD2 3.75Å; K137-W141 HydrophobicContact CD-CE3 3.49Å; K137-W141 VanDerWaalsContact CD-CE3 3.49Å; K137-W141 HydrophobicContact CD-CG 4.35Å; K137-W141 HydrophobicContact CD-CH2 4.38Å; K137-W141 HydrophobicContact CD-CZ3 3.86Å; K137-W141 VanDerWaalsContact CE-CZ3 3.49Å; K137-W141 HydrophobicContact CG-CD2 3.84Å; K137-W141 HydrophobicContact CG-CE3 4.13Å; K137-W141 HydrophobicContact CG-CG 4.02Å; P138-W141 HydrophobicContact CG-CB 3.95Å; P138-W141 WeakPolarHBondContact O-CB 3.07Å; P138-W141 PolarHBondContact O-N 3.47Å; P138-W141 VanDerWaalsContact O-N 3.14Å; E139-W141 VanDerWaalsContact C-N 3.3Å; E139-W141 PolarHBondContact O-N 3.24Å; W141-Q143 VanDerWaalsContact C-N 3.26Å; W141-Q143 PolarHBondContact O-N 3.18Å; W141-N144 PolarHBondContact O-N 3.36Å; W141-Y145 WeakPolarHBondContact O-CA 3.44Å; W141-Y145 WeakPolarHBondContact O-CB 3.18Å; W141-Y145 PolarHBondContact O-N 3.35Å; W141-A146 HydrophobicContact CZ3-CB 4.29Å; W141-A146 PolarHBondContact O-N 3.45Å
142	Q	96	Very high	95.2	Very high	116 Å²	116	82.6 Å²	82.6	54%	0.542	41%	0.406	S	S	.	.	H	α-helix	trans	-63.1	-37.5	-177.1	-171.9	65.2	31.8	0	0	111.2	D140 A146	D140-Q142 VanDerWaalsContact C-N 3.35Å; D140-Q142 PolarHBondContact O-N 3Å; Q142-A146 HydrophobicContact CG-CB 4.48Å; Q142-A146 VanDerWaalsContact NE2-CB 3.32Å; Q142-A146 WeakPolarHBondContact O-CB 3.46Å
143	Q	95.5	Very high	95.8	Very high	169 Å²	169	84.3 Å²	84.3	79%	0.79	41%	0.408	S	S	*	.	H	α-helix	trans	-73.5	-40.6	179.7	-178.5	178.6	-9.4	0	0	111.8	D140 W141	D140-Q143 PolarHBondContact O-N 2.73Å; W141-Q143 VanDerWaalsContact C-N 3.26Å; W141-Q143 PolarHBondContact O-N 3.18Å
144	N	94.7	Very high	96.4	Very high	87 Å²	87	80.7 Å²	80.7	47%	0.465	39%	0.388	S	S	.	.	H	α-helix	trans	-96.3	-24.2	-168	-68.3	-22.8	0	0	0	114.1	D140 W141	D140-N144 WeakPolarHBondContact O-CB 3.49Å; D140-N144 PolarHBondContact O-N 2.91Å; D140-N144 PolarHBondContact OD2-ND2 3.05Å; W141-N144 PolarHBondContact O-N 3.36Å
145	Y	96.5	Very high	96.8	Very high	89 Å²	89	76.4 Å²	76.4	35%	0.349	37%	0.371	S	S	.	.	H	α-helix	trans	-137.1	-5.2	-165.8	-62.2	-74.5	0	0	0	114.9	A115 W141	A115-Y145 WeakPolarHBondContact CA-O 3.42Å; A115-Y145 WeakPolarHBondContact CB-O 3.48Å; W141-Y145 WeakPolarHBondContact O-CA 3.44Å; W141-Y145 WeakPolarHBondContact O-CB 3.18Å; W141-Y145 PolarHBondContact O-N 3.35Å
146	A	96.6	Very high	96.9	Very high	9 Å²	9	79.2 Å²	79.2	7%	0.074	39%	0.385	C	S	.	.			trans	-54.8	124	178.6	0	0	0	0	0	110.8	W141 Q142	W141-A146 HydrophobicContact CZ3-CB 4.29Å; W141-A146 PolarHBondContact O-N 3.45Å; Q142-A146 HydrophobicContact CG-CB 4.48Å; Q142-A146 VanDerWaalsContact NE2-CB 3.32Å; Q142-A146 WeakPolarHBondContact O-CB 3.46Å
147	P	97.9	Very high	97	Very high	15 Å²	15	80 Å²	80	10%	0.097	38%	0.383	C	S	.	.	H	α-helix	trans	-77.7	-27.5	-172.1	29.7	-34.7	0	0	0	112.8	I111 V112 A115 L150 I151	I111-P147 HydrophobicContact CG2-CB 3.83Å; V112-P147 HydrophobicContact CG2-CB 4.36Å; A115-P147 HydrophobicContact CB-CB 3.91Å; A115-P147 HydrophobicContact CB-CG 4.05Å; P147-L150 PolarHBondContact O-N 3.25Å; P147-L150 VanDerWaalsContact O-N 3.07Å; P147-I151 HydrophobicContact CB-CD1 4.02Å; P147-I151 HydrophobicContact CB-CG1 4.43Å; P147-I151 VanDerWaalsContact O-CG1 3.3Å; P147-I151 WeakPolarHBondContact O-CG1 3.36Å; P147-I151 PolarHBondContact O-N 3.18Å
148	E	97	Very high	97	Very high	107 Å²	107	76.3 Å²	76.3	50%	0.5	37%	0.368	S	S	.	.	H	α-helix	trans	-60	-44.2	-167.1	-53.9	79.6	-177.4	0	0	113.4	L150 I151 K152	E148-L150 VanDerWaalsContact C-N 3.34Å; E148-L150 PolarHBondContact O-N 3.44Å; E148-I151 PolarHBondContact O-N 3.13Å; E148-K152 PolarHBondContact O-N 3.28Å; E148-K152 VanDerWaalsContact O-N 3.09Å
149	P	97.3	Very high	96.9	Very high	73 Å²	73	81.9 Å²	81.9	47%	0.474	39%	0.391	S	S	.	.	H	α-helix	trans	-61.3	-42.1	174.7	-22.9	35.2	0	0	0	112.5	K152 E153	P149-K152 PolarHBondContact O-N 3.32Å; P149-E153 WeakPolarHBondContact O-CG 3.41Å; P149-E153 PolarHBondContact O-N 2.86Å
150	L	97.7	Very high	96.7	Very high	64 Å²	64	73.7 Å²	73.7	34%	0.335	36%	0.361	S	S	.	.	H	α-helix	trans	-70.7	-36.5	-178.7	-61.1	179.8	0	0	0	112	I111 P147 E148 K152 E153 E154	I111-L150 HydrophobicContact CD1-CB 4.07Å; I111-L150 HydrophobicContact CG1-CB 4.32Å; I111-L150 HydrophobicContact CG2-CB 3.7Å; I111-L150 HydrophobicContact CG2-CD1 4.19Å; P147-L150 PolarHBondContact O-N 3.25Å; P147-L150 VanDerWaalsContact O-N 3.07Å; E148-L150 VanDerWaalsContact C-N 3.34Å; E148-L150 PolarHBondContact O-N 3.44Å; L150-K152 VanDerWaalsContact C-N 3.33Å; L150-E153 PolarHBondContact O-N 2.91Å; L150-E154 WeakPolarHBondContact O-CB 3.49Å; L150-E154 PolarHBondContact O-N 3.34Å
151	I	98.2	Very high	95.9	Very high	39 Å²	39	77 Å²	77	20%	0.2	37%	0.372	C	S	.	.	H	α-helix	trans	-61.1	-44.9	172.8	-68.4	174	0	0	0	109.8	I108 I111 V112 P147 E148 E153 E154 I155	I108-I151 HydrophobicContact CG2-CD1 4.16Å; I108-I151 HydrophobicContact CG2-CG1 4.07Å; I108-I151 HydrophobicContact CG2-CG2 4.33Å; I111-I151 HydrophobicContact CG2-CG1 4.05Å; V112-I151 HydrophobicContact CG2-CD1 3.98Å; P147-I151 HydrophobicContact CB-CD1 4.02Å; P147-I151 HydrophobicContact CB-CG1 4.43Å; P147-I151 VanDerWaalsContact O-CG1 3.3Å; P147-I151 WeakPolarHBondContact O-CG1 3.36Å; P147-I151 PolarHBondContact O-N 3.18Å; E148-I151 PolarHBondContact O-N 3.13Å; I151-E153 PolarHBondContact O-N 2.78Å; I151-E154 PolarHBondContact O-N 2.91Å; I151-I155 HydrophobicContact CG2-CD1 3.79Å; I151-I155 HydrophobicContact CG2-CG1 4.41Å; I151-I155 WeakPolarHBondContact O-CG1 3.25Å; I151-I155 PolarHBondContact O-N 3.01Å
152	K	97.5	Very high	94.4	Very high	144 Å²	144	80.6 Å²	80.6	63%	0.626	40%	0.404	S	S	*	.	H	α-helix	trans	-62.1	-43.8	177.6	-175.7	175.1	-178	174.4	0	112	E148 P149 L150 E154 I155 N156	E148-K152 PolarHBondContact O-N 3.28Å; E148-K152 VanDerWaalsContact O-N 3.09Å; P149-K152 PolarHBondContact O-N 3.32Å; L150-K152 VanDerWaalsContact C-N 3.33Å; K152-E154 VanDerWaalsContact C-N 3.35Å; K152-I155 PolarHBondContact O-N 3.33Å; K152-N156 VanDerWaalsContact O-CG 3.26Å; K152-N156 PolarHBondContact O-N 3.19Å; K152-N156 PolarHBondContact O-ND2 3.36Å
153	E	97.5	Very high	93.1	Very high	121 Å²	121	83 Å²	83	57%	0.565	42%	0.415	S	S	*	.	H	α-helix	trans	-60.1	-44.3	174.8	-73.7	175.4	-172.9	0	0	111.9	P149 L150 I151 N156 R157	P149-E153 WeakPolarHBondContact O-CG 3.41Å; P149-E153 PolarHBondContact O-N 2.86Å; L150-E153 PolarHBondContact O-N 2.91Å; I151-E153 PolarHBondContact O-N 2.78Å; E153-N156 PolarHBondContact O-N 2.76Å; E153-R157 WeakPolarHBondContact O-CB 3.34Å; E153-R157 PolarHBondContact O-N 3.32Å
154	E	98.2	Very high	91	Very high	23 Å²	23	86.4 Å²	86.4	11%	0.107	43%	0.428	C	S	.	.	H	α-helix	trans	-65.3	-43.1	178.3	174.8	53.5	-156	0	0	112.1	P107 I108 I111 L150 I151 K152 N156 R157 Q158	P107-E154 HydrophobicContact CB-CG 3.95Å; I108-E154 HydrophobicContact CG1-CG 4.06Å; I111-E154 HydrophobicContact CD1-CB 3.99Å; I111-E154 HydrophobicContact CD1-CG 4.42Å; L150-E154 WeakPolarHBondContact O-CB 3.49Å; L150-E154 PolarHBondContact O-N 3.34Å; I151-E154 PolarHBondContact O-N 2.91Å; K152-E154 VanDerWaalsContact C-N 3.35Å; E154-N156 VanDerWaalsContact C-N 3.32Å; E154-N156 PolarHBondContact O-N 2.82Å; E154-R157 WeakPolarHBondContact O-CB 3.21Å; E154-R157 PolarHBondContact O-N 2.84Å; E154-R157 VanDerWaalsContact O-N 3.15Å; E154-R157 IonicContact OE1-CZ 3.3Å; E154-R157 VanDerWaalsContact OE1-CZ 3.3Å; E154-R157 IonicContact OE1-NE 3.45Å; E154-R157 PolarHBondContact OE1-NE 2.81Å; E154-R157 IonicContact OE1-NH2 2.62Å; E154-R157 PolarHBondContact OE1-NH2 2.83Å; E154-R157 IonicContact OE2-CZ 3.44Å; E154-R157 IonicContact OE2-NE 2.74Å; E154-R157 PolarHBondContact OE2-NE 3.3Å; E154-R157 IonicContact OE2-NH2 3.43Å; E154-R157 PolarHBondContact OE2-NH2 3.09Å; E154-Q158 WeakPolarHBondContact O-CG 3.45Å; E154-Q158 PolarHBondContact O-N 3.44Å; E154-Q158 WeakPolarHBondContact OE1-CG 3.41Å; E154-Q158 PolarHBondContact OE1-NE2 3.39Å
155	I	97.7	Very high	90.9	Very high	52 Å²	52	86.4 Å²	86.4	27%	0.267	43%	0.426	S	S	.	.	H	α-helix	trans	-59.3	-44.7	173.8	-70.2	168.2	0	0	0	110.5	I108 I151 K152 R157 Q158 K159	I108-I155 HydrophobicContact CD1-CG1 4.19Å; I151-I155 HydrophobicContact CG2-CD1 3.79Å; I151-I155 HydrophobicContact CG2-CG1 4.41Å; I151-I155 WeakPolarHBondContact O-CG1 3.25Å; I151-I155 PolarHBondContact O-N 3.01Å; K152-I155 PolarHBondContact O-N 3.33Å; I155-R157 VanDerWaalsContact C-N 3.31Å; I155-R157 PolarHBondContact O-N 3.31Å; I155-Q158 PolarHBondContact O-N 3.32Å; I155-K159 HydrophobicContact CG2-CD 4.39Å; I155-K159 WeakPolarHBondContact O-CG 3.34Å; I155-K159 PolarHBondContact O-N 2.78Å
156	N	97.3	Very high	90.6	Very high	86 Å²	86	86.3 Å²	86.3	46%	0.46	43%	0.43	S	S	.	.	H	α-helix	trans	-62.2	-38.8	176.2	-71.5	-24.3	0	0	0	112	K152 E153 E154 Q158 K159 G160	K152-N156 VanDerWaalsContact O-CG 3.26Å; K152-N156 PolarHBondContact O-N 3.19Å; K152-N156 PolarHBondContact O-ND2 3.36Å; E153-N156 PolarHBondContact O-N 2.76Å; E154-N156 VanDerWaalsContact C-N 3.32Å; E154-N156 PolarHBondContact O-N 2.82Å; N156-Q158 VanDerWaalsContact C-N 3.34Å; N156-K159 PolarHBondContact O-N 3.49Å; N156-G160 PolarHBondContact O-N 3.48Å
157	R	97.8	Very high	90.2	Very high	95 Å²	95	90.6 Å²	90.6	36%	0.358	45%	0.45	S	S	.	.	H	α-helix	trans	-64.2	-37.8	174.8	-166.3	-157.3	60	60.7	-12.6	112	E153 E154 I155 K161	E153-R157 WeakPolarHBondContact O-CB 3.34Å; E153-R157 PolarHBondContact O-N 3.32Å; E154-R157 WeakPolarHBondContact O-CB 3.21Å; E154-R157 PolarHBondContact O-N 2.84Å; E154-R157 VanDerWaalsContact O-N 3.15Å; E154-R157 IonicContact OE1-CZ 3.3Å; E154-R157 VanDerWaalsContact OE1-CZ 3.3Å; E154-R157 IonicContact OE1-NE 3.45Å; E154-R157 PolarHBondContact OE1-NE 2.81Å; E154-R157 IonicContact OE1-NH2 2.62Å; E154-R157 PolarHBondContact OE1-NH2 2.83Å; E154-R157 IonicContact OE2-CZ 3.44Å; E154-R157 IonicContact OE2-NE 2.74Å; E154-R157 PolarHBondContact OE2-NE 3.3Å; E154-R157 IonicContact OE2-NH2 3.43Å; E154-R157 PolarHBondContact OE2-NH2 3.09Å; I155-R157 VanDerWaalsContact C-N 3.31Å; I155-R157 PolarHBondContact O-N 3.31Å; R157-K161 PolarHBondContact O-N 3.04Å
158	Q	97.8	Very high	89.8	Confident	25 Å²	25	95 Å²	95	12%	0.117	47%	0.47	C	S	.	.	H	α-helix	trans	-68.7	-44.8	175.9	-68.8	-174.5	25.4	0	0	111.1	D104 E154 I155 N156 G160 K161 A162	D104-Q158 PolarHBondContact O-NE2 3.46Å; E154-Q158 WeakPolarHBondContact O-CG 3.45Å; E154-Q158 PolarHBondContact O-N 3.44Å; E154-Q158 WeakPolarHBondContact OE1-CG 3.41Å; E154-Q158 PolarHBondContact OE1-NE2 3.39Å; I155-Q158 PolarHBondContact O-N 3.32Å; N156-Q158 VanDerWaalsContact C-N 3.34Å; Q158-G160 PolarHBondContact O-N 3.14Å; Q158-K161 PolarHBondContact O-N 2.97Å; Q158-K161 VanDerWaalsContact O-N 3.12Å; Q158-A162 PolarHBondContact O-N 2.84Å; Q158-A162 VanDerWaalsContact O-N 3.15Å
159	K	95.4	Very high	89.3	Confident	128 Å²	128	94.3 Å²	94.3	56%	0.557	47%	0.469	S	S	*	.	H	α-helix	trans	-53.6	-51.1	172.7	-72.2	178.9	176.7	-176.1	0	111.9	I155 N156 K161 A162 E163	I155-K159 HydrophobicContact CG2-CD 4.39Å; I155-K159 WeakPolarHBondContact O-CG 3.34Å; I155-K159 PolarHBondContact O-N 2.78Å; N156-K159 PolarHBondContact O-N 3.49Å; K159-K161 PolarHBondContact O-N 3Å; K159-A162 PolarHBondContact O-N 3.1Å; K159-E163 PolarHBondContact O-N 2.95Å
160	G	91	Very high	88.8	Confident	30 Å²	30	95.7 Å²	95.7	31%	0.309	47%	0.468	S	S	.	.	H	α-helix	trans	-68.6	-14.8	-179.9	0	0	0	0	0	115.4	N156 Q158	N156-G160 PolarHBondContact O-N 3.48Å; Q158-G160 PolarHBondContact O-N 3.14Å
161	K	78.7	Confident	88.2	Confident	134 Å²	134	97.9 Å²	97.9	58%	0.583	48%	0.478	S	S	*	.	H	α-helix	trans	-83.4	-32.2	169.1	-79.4	-168.9	-177.6	166.8	0	112.3	R157 Q158 K159 E163 K164	R157-K161 PolarHBondContact O-N 3.04Å; Q158-K161 PolarHBondContact O-N 2.97Å; Q158-K161 VanDerWaalsContact O-N 3.12Å; K159-K161 PolarHBondContact O-N 3Å; K161-E163 VanDerWaalsContact C-N 3.26Å; K161-E163 PolarHBondContact O-N 2.87Å; K161-K164 PolarHBondContact O-N 3.22Å
162	A	66.2	Low	87.4	Confident	86 Å²	86	102.5 Å²	102.5	71%	0.711	50%	0.499	S	S	*	.	H	α-helix	trans	-71.3	-22.5	177.7	0	0	0	0	0	112.8	Q158 K159 K164	Q158-A162 PolarHBondContact O-N 2.84Å; Q158-A162 VanDerWaalsContact O-N 3.15Å; K159-A162 PolarHBondContact O-N 3.1Å; A162-K164 VanDerWaalsContact C-N 3.32Å
163	E	68.8	Low	86.5	Confident	167 Å²	167	99 Å²	99	78%	0.78	49%	0.489	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.8	-1.1	177.5	-68	175.7	172.7	0	0	114.5	K159 K161	K159-E163 PolarHBondContact O-N 2.95Å; K161-E163 VanDerWaalsContact C-N 3.26Å; K161-E163 PolarHBondContact O-N 2.87Å
164	K	52.4	Low	85.5	Confident	241 Å²	241	97 Å²	97	100%	1.048	48%	0.482	S	S	*	.			trans	-112.8	0	-178.8	-67.5	-175.1	-178.1	-176.9	0	112	K161 A162	K161-K164 PolarHBondContact O-N 3.22Å; A162-K164 VanDerWaalsContact C-N 3.32Å

Retrieved 164 of 164 residues in 205.6 ms (Link to these results)

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