A0A077ZJF4_TRITR Loading...

NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 13

Accessory subunit of the mitochondrial membrane respiratory chain NADH dehydrogenase (Complex I), that is believed not to be involved in catalysis. Complex I functions in the transfer of electrons from NADH to the respiratory chain. The immediate electron acceptor for the enzyme is believed to be ubiquinone. Involved in the interferon/all-trans-retinoic acid (IFN/RA) induced cell death. This apoptotic activity is inhibited by interaction with viral IRF1. Prevents the transactivation of STAT3 target genes. May play a role in CARD15-mediated innate mucosal responses and serve to regulate intestinal epithelial cell responses to microbes. Complex I functions in the transfer of electrons from NADH to the respiratory chain. Accessory subunit of the mitochondrial membrane respiratory chain NADH dehydrogenase (Complex I), that is believed not to be involved in catalysis.

AlphaFold DB , UniProt , Accession A0A077ZJF4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 114 aa.

						>A0A077ZJF4_TRITR|A0A077ZJF4
MIRLEDNDVFIALQPFMLAERDRMWLNQLRRARDLENEVMKDVPGWKTGTWYGEPIYFTLPKDKWWDPIDMDLQAHARGRHIKQRYRWSEHDEYAGPHWWDKYFSKSFLDDWIK
					

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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	69.4	Low	88.6	Confident	188 Å²	188	120.5 Å²	120.5	93%	0.926	59%	0.59	S	S	*	*				0	-62.7	0	-155	162.9	-88.9	0	0	109.4	R3 L4 E5	M1-R3 PolarHBondContact O-N 2.98Å; M1-L4 WeakPolarHBondContact O-CB 3.38Å; M1-L4 PolarHBondContact O-N 3.35Å; M1-E5 PolarHBondContact O-N 3.37Å
2	I	86.2	Confident	89.1	Confident	120 Å²	120	115.9 Å²	115.9	62%	0.615	59%	0.586	S	S	*	*	H	α-helix	trans	-44.2	-52.7	177.3	-60.7	169.9	0	0	0	114.1	L4 E5 D6	I2-L4 PolarHBondContact O-N 3.06Å; I2-L4 VanDerWaalsContact O-N 3.12Å; I2-E5 PolarHBondContact O-N 2.96Å; I2-E5 VanDerWaalsContact O-N 3.1Å; I2-D6 WeakPolarHBondContact CG2-OD2 3.21Å; I2-D6 PolarHBondContact O-N 2.97Å
3	R	88.6	Confident	89.4	Confident	209 Å²	209	113.7 Å²	113.7	79%	0.789	58%	0.576	S	S	*	*	H	α-helix	trans	-58.4	-29.2	179.2	-67.4	-168.1	-63	-148.8	-1.2	115.1	M1 N7	M1-R3 PolarHBondContact O-N 2.98Å; R3-N7 WeakPolarHBondContact O-CB 3.35Å; R3-N7 VanDerWaalsContact O-CG 3.23Å; R3-N7 PolarHBondContact O-N 3.23Å; R3-N7 PolarHBondContact O-ND2 3.48Å
4	L	92.5	Very high	89.5	Confident	111 Å²	111	111.9 Å²	111.9	58%	0.581	56%	0.564	S	S	*	*	H	α-helix	trans	-74.9	-46.2	177.3	-179.3	71.3	0	0	0	109.6	M1 I2 D6 N7 D8	M1-L4 WeakPolarHBondContact O-CB 3.38Å; M1-L4 PolarHBondContact O-N 3.35Å; I2-L4 PolarHBondContact O-N 3.06Å; I2-L4 VanDerWaalsContact O-N 3.12Å; L4-D6 VanDerWaalsContact C-N 3.34Å; L4-D6 PolarHBondContact O-N 3.26Å; L4-N7 PolarHBondContact O-N 3.45Å; L4-D8 PolarHBondContact O-N 2.71Å
5	E	92.2	Very high	89.9	Confident	106 Å²	106	109.5 Å²	109.5	50%	0.495	56%	0.56	S	S	.	*	H	α-helix	trans	-59.6	-43.9	177.4	-65.9	169.6	-178.6	0	0	111.3	M1 I2 N7 D8 V9	M1-E5 PolarHBondContact O-N 3.37Å; I2-E5 PolarHBondContact O-N 2.96Å; I2-E5 VanDerWaalsContact O-N 3.1Å; E5-N7 VanDerWaalsContact C-N 3.35Å; E5-N7 PolarHBondContact O-N 3.13Å; E5-D8 PolarHBondContact O-N 3.41Å; E5-V9 VanDerWaalsContact O-CG2 3.28Å; E5-V9 WeakPolarHBondContact O-CG2 3.47Å; E5-V9 PolarHBondContact O-N 2.97Å
6	D	90.8	Very high	90.1	Very high	96 Å²	96	111.8 Å²	111.8	51%	0.513	57%	0.565	S	S	.	*	H	α-helix	trans	-61.7	-42.3	176.5	-65	-26.1	0	0	0	112.1	I2 L4 V9 F10	I2-D6 WeakPolarHBondContact CG2-OD2 3.21Å; I2-D6 PolarHBondContact O-N 2.97Å; L4-D6 VanDerWaalsContact C-N 3.34Å; L4-D6 PolarHBondContact O-N 3.26Å; D6-V9 PolarHBondContact O-N 2.96Å; D6-F10 WeakPolarHBondContact O-CB 3.37Å; D6-F10 PolarHBondContact O-N 3.37Å
7	N	89.8	Confident	90	Very high	99 Å²	99	108.4 Å²	108.4	53%	0.529	55%	0.547	S	S	.	.	H	α-helix	trans	-66.3	-42.2	177.3	-79.1	-18.7	0	0	0	111.6	R3 L4 E5 V9 F10 I11	R3-N7 WeakPolarHBondContact O-CB 3.35Å; R3-N7 VanDerWaalsContact O-CG 3.23Å; R3-N7 PolarHBondContact O-N 3.23Å; R3-N7 PolarHBondContact O-ND2 3.48Å; L4-N7 PolarHBondContact O-N 3.45Å; E5-N7 VanDerWaalsContact C-N 3.35Å; E5-N7 PolarHBondContact O-N 3.13Å; N7-V9 VanDerWaalsContact C-N 3.33Å; N7-V9 PolarHBondContact O-N 3.11Å; N7-F10 PolarHBondContact O-N 2.97Å; N7-I11 WeakPolarHBondContact O-CD1 3.23Å; N7-I11 VanDerWaalsContact O-CG1 3.26Å; N7-I11 WeakPolarHBondContact O-CG1 3.37Å; N7-I11 PolarHBondContact O-N 3.25Å
8	D	93.6	Very high	90	Very high	90 Å²	90	105.6 Å²	105.6	48%	0.481	53%	0.534	S	S	.	.	H	α-helix	trans	-63.6	-41	178	-75.6	-9.3	0	0	0	111	L4 E5 I11 A12	L4-D8 PolarHBondContact O-N 2.71Å; E5-D8 PolarHBondContact O-N 3.41Å; D8-I11 PolarHBondContact O-N 3.13Å; D8-A12 VanDerWaalsContact O-CB 3.32Å; D8-A12 WeakPolarHBondContact O-CB 3.46Å; D8-A12 PolarHBondContact O-N 2.88Å
9	V	91.3	Very high	90.2	Very high	85 Å²	85	102.9 Å²	102.9	52%	0.515	53%	0.53	S	S	.	.	H	α-helix	trans	-62.1	-44.9	173.6	171.2	0	0	0	0	110.9	E5 D6 N7 I11 A12 L13	E5-V9 VanDerWaalsContact O-CG2 3.28Å; E5-V9 WeakPolarHBondContact O-CG2 3.47Å; E5-V9 PolarHBondContact O-N 2.97Å; D6-V9 PolarHBondContact O-N 2.96Å; N7-V9 VanDerWaalsContact C-N 3.33Å; N7-V9 PolarHBondContact O-N 3.11Å; V9-I11 PolarHBondContact O-N 3.02Å; V9-A12 PolarHBondContact O-N 3.42Å; V9-L13 HydrophobicContact CG1-CD1 3.86Å; V9-L13 HydrophobicContact CG1-CG 4.44Å; V9-L13 WeakPolarHBondContact O-CB 3.42Å; V9-L13 WeakPolarHBondContact O-CG 3.28Å; V9-L13 PolarHBondContact O-N 2.87Å
10	F	87.1	Confident	90.3	Very high	120 Å²	120	102.8 Å²	102.8	53%	0.526	53%	0.526	S	S	.	.	H	α-helix	trans	-61.4	-44.5	178	-176.6	-95.2	0	0	0	112.2	D6 N7 A12 L13 Q14 M17	D6-F10 WeakPolarHBondContact O-CB 3.37Å; D6-F10 PolarHBondContact O-N 3.37Å; N7-F10 PolarHBondContact O-N 2.97Å; F10-A12 VanDerWaalsContact C-N 3.35Å; F10-L13 PolarHBondContact O-N 3.37Å; F10-Q14 PolarHBondContact O-N 3.26Å; F10-M17 HydrophobicContact CD2-CE 4.02Å; F10-M17 HydrophobicContact CE2-CE 3.73Å; F10-M17 HydrophobicContact CZ-CE 4.13Å
11	I	92.9	Very high	90.2	Very high	102 Å²	102	102.6 Å²	102.6	52%	0.523	52%	0.519	S	S	.	.	H	α-helix	trans	-62.5	-43.2	176.6	-68.1	163.5	0	0	0	110.6	N7 D8 V9 L13 Q14	N7-I11 WeakPolarHBondContact O-CD1 3.23Å; N7-I11 VanDerWaalsContact O-CG1 3.26Å; N7-I11 WeakPolarHBondContact O-CG1 3.37Å; N7-I11 PolarHBondContact O-N 3.25Å; D8-I11 PolarHBondContact O-N 3.13Å; V9-I11 PolarHBondContact O-N 3.02Å; I11-L13 VanDerWaalsContact C-N 3.3Å; I11-L13 PolarHBondContact O-N 2.89Å; I11-Q14 WeakPolarHBondContact O-CB 3.4Å; I11-Q14 PolarHBondContact O-N 2.89Å
12	A	95.5	Very high	91.2	Very high	65 Å²	65	97.1 Å²	97.1	54%	0.537	49%	0.494	S	S	.	.	H	α-helix	trans	-64.6	-33.2	178.4	0	0	0	0	0	112.9	D8 V9 F10 P15	D8-A12 VanDerWaalsContact O-CB 3.32Å; D8-A12 WeakPolarHBondContact O-CB 3.46Å; D8-A12 PolarHBondContact O-N 2.88Å; V9-A12 PolarHBondContact O-N 3.42Å; F10-A12 VanDerWaalsContact C-N 3.35Å; A12-P15 WeakPolarHBondContact O-CD 3.18Å
13	L	92.9	Very high	91.5	Very high	87 Å²	87	98.5 Å²	98.5	46%	0.455	49%	0.491	S	S	.	.	H	α-helix	trans	-83.8	-22.7	178.7	-71.3	174.9	0	0	0	113.8	V9 F10 I11 P15 F16 M17	V9-L13 HydrophobicContact CG1-CD1 3.86Å; V9-L13 HydrophobicContact CG1-CG 4.44Å; V9-L13 WeakPolarHBondContact O-CB 3.42Å; V9-L13 WeakPolarHBondContact O-CG 3.28Å; V9-L13 PolarHBondContact O-N 2.87Å; F10-L13 PolarHBondContact O-N 3.37Å; I11-L13 VanDerWaalsContact C-N 3.3Å; I11-L13 PolarHBondContact O-N 2.89Å; L13-P15 VanDerWaalsContact C-CD 3.44Å; L13-F16 PolarHBondContact O-N 3.42Å; L13-M17 HydrophobicContact CB-CE 4.13Å; L13-M17 PolarHBondContact O-N 2.87Å
14	Q	91	Very high	91.5	Very high	88 Å²	88	93.4 Å²	93.4	41%	0.411	48%	0.478	S	S	.	.	H	α-helix	trans	-47.4	-46.1	-177.8	-164.2	179.7	16.1	0	0	115	F10 I11 F16 M17 L18	F10-Q14 PolarHBondContact O-N 3.26Å; I11-Q14 WeakPolarHBondContact O-CB 3.4Å; I11-Q14 PolarHBondContact O-N 2.89Å; Q14-F16 VanDerWaalsContact C-N 3.33Å; Q14-F16 PolarHBondContact O-N 3.33Å; Q14-M17 HydrophobicContact CB-CE 4.47Å; Q14-M17 PolarHBondContact O-N 2.93Å; Q14-L18 HydrophobicContact CG-CD1 4.03Å; Q14-L18 HydrophobicContact CG-CG 4.35Å; Q14-L18 WeakPolarHBondContact O-CB 3.31Å; Q14-L18 WeakPolarHBondContact O-CG 3.4Å; Q14-L18 PolarHBondContact O-N 2.93Å
15	P	95.3	Very high	91.4	Very high	77 Å²	77	90.3 Å²	90.3	50%	0.5	46%	0.458	S	S	.	.	H	α-helix	trans	-62.5	-37.3	179.1	23.1	-34.5	0	0	0	113.2	A12 L13 A19	A12-P15 WeakPolarHBondContact O-CD 3.18Å; L13-P15 VanDerWaalsContact C-CD 3.44Å; P15-A19 WeakPolarHBondContact O-CB 3.47Å; P15-A19 PolarHBondContact O-N 2.97Å
16	F	93.1	Very high	91.4	Very high	146 Å²	146	89.5 Å²	89.5	64%	0.64	46%	0.457	S	S	*	.	H	α-helix	trans	-69.2	-43.3	177.2	-62.6	-73.2	0	0	0	111.3	L13 Q14 L18 A19 E20	L13-F16 PolarHBondContact O-N 3.42Å; Q14-F16 VanDerWaalsContact C-N 3.33Å; Q14-F16 PolarHBondContact O-N 3.33Å; F16-L18 PolarHBondContact O-N 2.78Å; F16-A19 PolarHBondContact O-N 2.92Å; F16-E20 PolarHBondContact O-N 3.01Å
17	M	88.4	Confident	91.5	Very high	54 Å²	54	88.6 Å²	88.6	27%	0.266	45%	0.452	S	S	.	.	H	α-helix	trans	-60.8	-44.5	177.3	-71.3	-164.9	-66.5	0	0	111.6	F10 L13 Q14 E20 R21 W88	F10-M17 HydrophobicContact CD2-CE 4.02Å; F10-M17 HydrophobicContact CE2-CE 3.73Å; F10-M17 HydrophobicContact CZ-CE 4.13Å; L13-M17 HydrophobicContact CB-CE 4.13Å; L13-M17 PolarHBondContact O-N 2.87Å; Q14-M17 HydrophobicContact CB-CE 4.47Å; Q14-M17 PolarHBondContact O-N 2.93Å; M17-E20 PolarHBondContact O-N 3.43Å; M17-R21 PolarHBondContact O-N 3.5Å; M17-W88 HydrophobicContact CB-CH2 3.66Å; M17-W88 HydrophobicContact CB-CZ3 3.68Å; M17-W88 HydrophobicContact CG-CZ3 4.49Å; M17-W88 WeakPolarHBondContact O-CH2 3.45Å; M17-W88 VanDerWaalsContact O-CZ3 3.29Å; M17-W88 WeakPolarHBondContact O-CZ3 3.44Å
18	L	89.5	Confident	91.5	Very high	57 Å²	57	85.5 Å²	85.5	30%	0.298	44%	0.435	S	S	.	.	H	α-helix	trans	-65.2	-39.8	175	-70.3	173.5	0	0	0	112.4	Q14 F16 E20 R21 D22 W88	Q14-L18 HydrophobicContact CG-CD1 4.03Å; Q14-L18 HydrophobicContact CG-CG 4.35Å; Q14-L18 WeakPolarHBondContact O-CB 3.31Å; Q14-L18 WeakPolarHBondContact O-CG 3.4Å; Q14-L18 PolarHBondContact O-N 2.93Å; F16-L18 PolarHBondContact O-N 2.78Å; L18-E20 VanDerWaalsContact C-N 3.35Å; L18-E20 PolarHBondContact O-N 2.66Å; L18-R21 WeakPolarHBondContact O-CB 3.38Å; L18-R21 PolarHBondContact O-N 2.75Å; L18-D22 VanDerWaalsContact O-CG 3.28Å; L18-D22 PolarHBondContact O-N 3.46Å; L18-W88 HydrophobicContact CD2-CH2 4.5Å; L18-W88 HydrophobicContact CD2-CZ2 4.14Å
19	A	94.4	Very high	91.4	Very high	56 Å²	56	82.5 Å²	82.5	46%	0.463	42%	0.418	S	S	.	.	H	α-helix	trans	-62.2	-41.6	176.3	0	0	0	0	0	112.1	P15 F16 D22 R23	P15-A19 WeakPolarHBondContact O-CB 3.47Å; P15-A19 PolarHBondContact O-N 2.97Å; F16-A19 PolarHBondContact O-N 2.92Å; A19-D22 PolarHBondContact O-N 3.14Å; A19-R23 WeakPolarHBondContact O-CB 3.27Å; A19-R23 PolarHBondContact O-N 3.35Å
20	E	91	Very high	91.5	Very high	99 Å²	99	85.5 Å²	85.5	46%	0.463	42%	0.42	S	S	.	.	H	α-helix	trans	-66.5	-39.9	175.2	-72.9	-58.4	145.5	0	0	111.9	F16 M17 L18 D22 R23 M24	F16-E20 PolarHBondContact O-N 3.01Å; M17-E20 PolarHBondContact O-N 3.43Å; L18-E20 VanDerWaalsContact C-N 3.35Å; L18-E20 PolarHBondContact O-N 2.66Å; E20-D22 PolarHBondContact O-N 3.04Å; E20-R23 WeakPolarHBondContact O-CB 3.36Å; E20-R23 PolarHBondContact O-N 3Å; E20-R23 IonicContact OE1-NH1 2.86Å; E20-R23 IonicContact OE2-NH1 3.77Å; E20-M24 VanDerWaalsContact O-CG 3.3Å; E20-M24 WeakPolarHBondContact O-CG 3.29Å; E20-M24 PolarHBondContact O-N 3.4Å
21	R	88.2	Confident	91.8	Very high	100 Å²	100	88.5 Å²	88.5	38%	0.377	43%	0.428	S	S	.	.	H	α-helix	trans	-56.2	-51.6	171.9	-179.6	-159.7	72.4	178.7	-1.1	111.7	M17 L18 R23 M24 W25 W88	M17-R21 PolarHBondContact O-N 3.5Å; L18-R21 WeakPolarHBondContact O-CB 3.38Å; L18-R21 PolarHBondContact O-N 2.75Å; R21-R23 VanDerWaalsContact C-N 3.29Å; R21-R23 PolarHBondContact O-N 3.17Å; R21-M24 WeakPolarHBondContact O-CB 3.47Å; R21-M24 PolarHBondContact O-N 3Å; R21-M24 VanDerWaalsContact O-N 3.17Å; R21-W25 PolarHBondContact O-N 3.4Å; R21-W88 HydrophobicContact CB-CD2 3.84Å; R21-W88 HydrophobicContact CB-CE3 4.15Å; R21-W88 HydrophobicContact CB-CG 4.28Å; R21-W88 HydrophobicContact CB-CH2 4.38Å; R21-W88 HydrophobicContact CB-CZ2 4.11Å; R21-W88 HydrophobicContact CB-CZ3 4.4Å; R21-W88 VanDerWaalsContact CD-CE2 3.5Å; R21-W88 HydrophobicContact CG-CD2 3.9Å; R21-W88 HydrophobicContact CG-CG 3.9Å; R21-W88 HydrophobicContact CG-CZ2 4.33Å
22	D	90.9	Very high	91.7	Very high	73 Å²	73	85.3 Å²	85.3	39%	0.39	42%	0.417	S	S	.	.	H	α-helix	trans	-65.2	-37	-177.1	-66.5	-8.7	0	0	0	110.9	L18 A19 E20 W25 L26	L18-D22 VanDerWaalsContact O-CG 3.28Å; L18-D22 PolarHBondContact O-N 3.46Å; A19-D22 PolarHBondContact O-N 3.14Å; E20-D22 PolarHBondContact O-N 3.04Å; D22-W25 WeakPolarHBondContact O-CB 3.31Å; D22-W25 PolarHBondContact O-N 3.27Å; D22-L26 WeakPolarHBondContact O-CG 3.12Å; D22-L26 PolarHBondContact O-N 3.31Å
23	R	92.7	Very high	91.6	Very high	148 Å²	148	88.2 Å²	88.2	56%	0.558	41%	0.414	S	S	*	.	H	α-helix	trans	-61.5	-45.5	172.1	177.3	-176.2	170.5	174.6	-0.2	112	A19 E20 R21 W25 L26 N27	A19-R23 WeakPolarHBondContact O-CB 3.27Å; A19-R23 PolarHBondContact O-N 3.35Å; E20-R23 WeakPolarHBondContact O-CB 3.36Å; E20-R23 PolarHBondContact O-N 3Å; E20-R23 IonicContact OE1-NH1 2.86Å; E20-R23 IonicContact OE2-NH1 3.77Å; R21-R23 VanDerWaalsContact C-N 3.29Å; R21-R23 PolarHBondContact O-N 3.17Å; R23-W25 VanDerWaalsContact C-N 3.3Å; R23-W25 PolarHBondContact O-N 3.44Å; R23-L26 PolarHBondContact O-N 2.49Å; R23-N27 WeakPolarHBondContact O-CB 3.43Å; R23-N27 VanDerWaalsContact O-CG 3.25Å; R23-N27 PolarHBondContact O-N 3.16Å; R23-N27 PolarHBondContact O-ND2 3.44Å; R23-N27 VanDerWaalsContact O-ND2 3.09Å
24	M	89.6	Confident	91.7	Very high	103 Å²	103	87.5 Å²	87.5	51%	0.507	41%	0.411	S	S	.	.	H	α-helix	trans	-59.9	-43.2	176.7	-73	174.7	68.9	0	0	111.3	E20 R21 N27 Q28	E20-M24 VanDerWaalsContact O-CG 3.3Å; E20-M24 WeakPolarHBondContact O-CG 3.29Å; E20-M24 PolarHBondContact O-N 3.4Å; R21-M24 WeakPolarHBondContact O-CB 3.47Å; R21-M24 PolarHBondContact O-N 3Å; R21-M24 VanDerWaalsContact O-N 3.17Å; M24-N27 PolarHBondContact O-N 3.17Å; M24-Q28 PolarHBondContact O-N 2.55Å
25	W	89.5	Confident	91.9	Very high	45 Å²	45	87 Å²	87	17%	0.17	41%	0.41	C	S	.	.	H	α-helix	trans	-59.3	-50.6	176.7	178.5	-119.3	0	0	0	112.5	R21 D22 R23 N27 Q28 L29 D67 L73	R21-W25 PolarHBondContact O-N 3.4Å; D22-W25 WeakPolarHBondContact O-CB 3.31Å; D22-W25 PolarHBondContact O-N 3.27Å; R23-W25 VanDerWaalsContact C-N 3.3Å; R23-W25 PolarHBondContact O-N 3.44Å; W25-N27 VanDerWaalsContact C-N 3.32Å; W25-N27 PolarHBondContact O-N 3.33Å; W25-Q28 WeakPolarHBondContact O-CB 3.22Å; W25-Q28 PolarHBondContact O-N 3.29Å; W25-Q28 VanDerWaalsContact O-N 3.13Å; W25-L29 HydrophobicContact CD2-CD1 4.45Å; W25-L29 HydrophobicContact CZ2-CD1 4.28Å; W25-L29 HydrophobicContact CZ2-CD2 4.24Å; W25-L29 HydrophobicContact CZ2-CG 4.41Å; W25-L29 PolarHBondContact O-N 3.48Å; W25-D67 PolarHBondContact NE1-OD1 3.12Å; W25-L73 HydrophobicContact CE3-CD2 3.94Å; W25-L73 HydrophobicContact CH2-CB 4.15Å; W25-L73 HydrophobicContact CH2-CD2 3.4Å; W25-L73 HydrophobicContact CH2-CG 4.42Å; W25-L73 HydrophobicContact CZ2-CD2 4.09Å; W25-L73 HydrophobicContact CZ3-CD2 3.32Å
26	L	92.3	Very high	91.7	Very high	90 Å²	90	86.3 Å²	86.3	47%	0.471	40%	0.401	S	S	.	.	H	α-helix	trans	-62	-38.6	177.9	-69.2	175.2	0	0	0	112.7	D22 R23 Q28 L29 R30 W65	D22-L26 WeakPolarHBondContact O-CG 3.12Å; D22-L26 PolarHBondContact O-N 3.31Å; R23-L26 PolarHBondContact O-N 2.49Å; L26-Q28 VanDerWaalsContact C-N 3.3Å; L26-Q28 PolarHBondContact O-N 3.36Å; L26-L29 PolarHBondContact O-N 3.29Å; L26-R30 WeakPolarHBondContact O-CB 3.37Å; L26-R30 PolarHBondContact O-N 2.94Å; L26-W65 HydrophobicContact CD2-CH2 4.33Å; L26-W65 HydrophobicContact CD2-CZ2 4.06Å
27	N	92.7	Very high	91.8	Very high	76 Å²	76	83 Å²	83	41%	0.406	39%	0.389	S	S	.	.	H	α-helix	trans	-64.8	-37.6	176.2	-74.2	-32.1	0	0	0	111.9	R23 M24 W25 R30 R31	R23-N27 WeakPolarHBondContact O-CB 3.43Å; R23-N27 VanDerWaalsContact O-CG 3.25Å; R23-N27 PolarHBondContact O-N 3.16Å; R23-N27 PolarHBondContact O-ND2 3.44Å; R23-N27 VanDerWaalsContact O-ND2 3.09Å; M24-N27 PolarHBondContact O-N 3.17Å; W25-N27 VanDerWaalsContact C-N 3.32Å; W25-N27 PolarHBondContact O-N 3.33Å; N27-R30 PolarHBondContact O-N 3.32Å; N27-R31 WeakPolarHBondContact O-CB 3.48Å; N27-R31 PolarHBondContact O-N 3.46Å
28	Q	89.8	Confident	92.1	Very high	35 Å²	35	86.3 Å²	86.3	16%	0.164	40%	0.404	C	S	.	.	H	α-helix	trans	-67.4	-43.8	176	-175.2	-177.1	-36	0	0	112	M24 W25 L26 R30 R31 A32 L73	M24-Q28 PolarHBondContact O-N 2.55Å; W25-Q28 WeakPolarHBondContact O-CB 3.22Å; W25-Q28 PolarHBondContact O-N 3.29Å; W25-Q28 VanDerWaalsContact O-N 3.13Å; L26-Q28 VanDerWaalsContact C-N 3.3Å; L26-Q28 PolarHBondContact O-N 3.36Å; Q28-R30 VanDerWaalsContact C-N 3.3Å; Q28-R30 PolarHBondContact O-N 2.96Å; Q28-R31 PolarHBondContact O-N 2.82Å; Q28-A32 WeakPolarHBondContact O-CB 3.4Å; Q28-A32 PolarHBondContact O-N 3.38Å; Q28-L73 HydrophobicContact CB-CD2 4.41Å; Q28-L73 HydrophobicContact CG-CD2 3.8Å; Q28-L73 HydrophobicContact CG-CG 4.41Å
29	L	91.9	Very high	92.3	Very high	26 Å²	26	88.6 Å²	88.6	14%	0.136	42%	0.421	C	S	.	.	H	α-helix	trans	-58.9	-43.7	174.8	-72.3	175	0	0	0	111.2	W25 L26 A32 R33 W65 P68 L73	W25-L29 HydrophobicContact CD2-CD1 4.45Å; W25-L29 HydrophobicContact CZ2-CD1 4.28Å; W25-L29 HydrophobicContact CZ2-CD2 4.24Å; W25-L29 HydrophobicContact CZ2-CG 4.41Å; W25-L29 PolarHBondContact O-N 3.48Å; L26-L29 PolarHBondContact O-N 3.29Å; L29-A32 PolarHBondContact O-N 3.39Å; L29-R33 WeakPolarHBondContact O-CB 3.27Å; L29-R33 PolarHBondContact O-N 3.49Å; L29-W65 HydrophobicContact CD1-CH2 3.7Å; L29-W65 HydrophobicContact CD1-CZ2 3.75Å; L29-P68 HydrophobicContact CD1-CG 4.4Å; L29-P68 HydrophobicContact CD2-CG 3.91Å; L29-L73 HydrophobicContact CD2-CB 4.4Å; L29-L73 HydrophobicContact CD2-CD1 3.81Å; L29-L73 HydrophobicContact CD2-CD2 3.53Å; L29-L73 HydrophobicContact CD2-CG 4.1Å; L29-L73 HydrophobicContact CG-CD2 4.04Å
30	R	93.5	Very high	92.3	Very high	148 Å²	148	88.5 Å²	88.5	56%	0.558	41%	0.411	S	S	*	.	H	α-helix	trans	-59.2	-48.7	174.5	-176.6	175.8	-67.6	165.3	-1.2	111.4	L26 N27 Q28 A32 R33 D34	L26-R30 WeakPolarHBondContact O-CB 3.37Å; L26-R30 PolarHBondContact O-N 2.94Å; N27-R30 PolarHBondContact O-N 3.32Å; Q28-R30 VanDerWaalsContact C-N 3.3Å; Q28-R30 PolarHBondContact O-N 2.96Å; R30-A32 VanDerWaalsContact C-N 3.34Å; R30-A32 PolarHBondContact O-N 3.17Å; R30-R33 PolarHBondContact O-N 3.42Å; R30-D34 WeakPolarHBondContact O-CB 3.23Å; R30-D34 PolarHBondContact O-N 3.1Å
31	R	92.8	Very high	92.4	Very high	183 Å²	183	90.5 Å²	90.5	69%	0.691	42%	0.418	S	S	*	.	H	α-helix	trans	-59.8	-42.7	177.9	-177.6	178.8	178.2	176.2	0.5	112.2	N27 Q28 D34 L35	N27-R31 WeakPolarHBondContact O-CB 3.48Å; N27-R31 PolarHBondContact O-N 3.46Å; Q28-R31 PolarHBondContact O-N 2.82Å; R31-D34 PolarHBondContact O-N 3.44Å; R31-L35 HydrophobicContact CG-CD1 4.1Å; R31-L35 WeakPolarHBondContact O-CB 3.24Å; R31-L35 VanDerWaalsContact O-CG 3.3Å; R31-L35 WeakPolarHBondContact O-CG 3.17Å; R31-L35 PolarHBondContact O-N 2.85Å
32	A	91.5	Very high	92.7	Very high	35 Å²	35	92 Å²	92	29%	0.289	43%	0.433	S	S	.	.	H	α-helix	trans	-65.1	-44.3	178.9	0	0	0	0	0	111.7	Q28 L29 R30 D34 L35 E36 L73	Q28-A32 WeakPolarHBondContact O-CB 3.4Å; Q28-A32 PolarHBondContact O-N 3.38Å; L29-A32 PolarHBondContact O-N 3.39Å; R30-A32 VanDerWaalsContact C-N 3.34Å; R30-A32 PolarHBondContact O-N 3.17Å; A32-D34 VanDerWaalsContact C-N 3.32Å; A32-D34 PolarHBondContact O-N 3.1Å; A32-L35 PolarHBondContact O-N 3.42Å; A32-E36 WeakPolarHBondContact O-CB 3.41Å; A32-E36 PolarHBondContact O-N 3.39Å; A32-L73 HydrophobicContact CB-CD1 3.28Å
33	R	92.3	Very high	92.8	Very high	126 Å²	126	91 Å²	91	48%	0.475	43%	0.43	S	S	.	.	H	α-helix	trans	-59.9	-42.4	174.4	-176.5	-163.8	65.7	170.1	2.2	112.1	L29 R30 E36 N37 T48	L29-R33 WeakPolarHBondContact O-CB 3.27Å; L29-R33 PolarHBondContact O-N 3.49Å; R30-R33 PolarHBondContact O-N 3.42Å; R33-E36 PolarHBondContact O-N 3.44Å; R33-N37 VanDerWaalsContact O-CG 3.31Å; R33-N37 PolarHBondContact O-N 2.98Å; R33-N37 PolarHBondContact O-ND2 3.03Å; R33-N37 VanDerWaalsContact O-ND2 3.1Å; R33-T48 HydrophobicContact CG-CG2 3.62Å
34	D	96.1	Very high	92.7	Very high	72 Å²	72	90 Å²	90	39%	0.385	44%	0.442	S	S	.	.	H	α-helix	trans	-69.3	-37.5	-180	-60.8	-13.5	0	0	0	110.9	R30 R31 A32 N37 E38	R30-D34 WeakPolarHBondContact O-CB 3.23Å; R30-D34 PolarHBondContact O-N 3.1Å; R31-D34 PolarHBondContact O-N 3.44Å; A32-D34 VanDerWaalsContact C-N 3.32Å; A32-D34 PolarHBondContact O-N 3.1Å; D34-N37 WeakPolarHBondContact O-CB 3.46Å; D34-N37 PolarHBondContact O-N 3.2Å; D34-E38 PolarHBondContact O-N 3.14Å; D34-E38 VanDerWaalsContact O-N 3.1Å
35	L	93.9	Very high	92.6	Very high	78 Å²	78	88.5 Å²	88.5	41%	0.408	45%	0.454	S	S	.	.	H	α-helix	trans	-66.2	-39.3	171.2	-74.6	169.4	0	0	0	112.7	R31 A32 N37 E38 V39	R31-L35 HydrophobicContact CG-CD1 4.1Å; R31-L35 WeakPolarHBondContact O-CB 3.24Å; R31-L35 VanDerWaalsContact O-CG 3.3Å; R31-L35 WeakPolarHBondContact O-CG 3.17Å; R31-L35 PolarHBondContact O-N 2.85Å; A32-L35 PolarHBondContact O-N 3.42Å; L35-N37 VanDerWaalsContact C-N 3.32Å; L35-N37 PolarHBondContact O-N 3.47Å; L35-E38 PolarHBondContact O-N 3.21Å; L35-V39 WeakPolarHBondContact O-CB 3.3Å; L35-V39 VanDerWaalsContact O-CG2 3.32Å; L35-V39 WeakPolarHBondContact O-CG2 3.25Å; L35-V39 PolarHBondContact O-N 2.64Å
36	E	92.7	Very high	92.8	Very high	63 Å²	63	88.5 Å²	88.5	29%	0.294	45%	0.454	S	S	.	.	H	α-helix	trans	-59.8	-45.1	174.5	-174.2	-171.6	158.7	0	0	110.6	A32 R33 E38 V39 M40 W46	A32-E36 WeakPolarHBondContact O-CB 3.41Å; A32-E36 PolarHBondContact O-N 3.39Å; R33-E36 PolarHBondContact O-N 3.44Å; E36-E38 VanDerWaalsContact C-N 3.28Å; E36-E38 PolarHBondContact O-N 2.84Å; E36-V39 PolarHBondContact O-N 3.04Å; E36-M40 HydrophobicContact CG-CG 4.18Å; E36-M40 VanDerWaalsContact O-CB 3.23Å; E36-M40 WeakPolarHBondContact O-CB 3.44Å; E36-M40 WeakPolarHBondContact O-CG 3.47Å; E36-M40 PolarHBondContact O-N 3.02Å; E36-W46 WeakPolarHBondContact OE1-CZ2 3.48Å; E36-W46 PolarHBondContact OE1-NE1 3.22Å
37	N	94.2	Very high	92.7	Very high	75 Å²	75	91.1 Å²	91.1	40%	0.401	46%	0.461	S	S	.	.	H	α-helix	trans	-58.9	-40.2	174.4	-69.8	-41.3	0	0	0	112.1	R33 D34 L35 K41 T48	R33-N37 VanDerWaalsContact O-CG 3.31Å; R33-N37 PolarHBondContact O-N 2.98Å; R33-N37 PolarHBondContact O-ND2 3.03Å; R33-N37 VanDerWaalsContact O-ND2 3.1Å; D34-N37 WeakPolarHBondContact O-CB 3.46Å; D34-N37 PolarHBondContact O-N 3.2Å; L35-N37 VanDerWaalsContact C-N 3.32Å; L35-N37 PolarHBondContact O-N 3.47Å; N37-K41 WeakPolarHBondContact O-CB 3.32Å; N37-K41 PolarHBondContact O-N 3.1Å; N37-T48 VanDerWaalsContact OD1-CB 3.27Å; N37-T48 WeakPolarHBondContact OD1-CB 3.49Å; N37-T48 PolarHBondContact OD1-OG1 3.44Å
38	E	95.4	Very high	92.6	Very high	124 Å²	124	89.2 Å²	89.2	58%	0.579	45%	0.452	S	S	*	.	H	α-helix	trans	-70.5	-44.8	-179.9	-174.2	179.4	179.4	0	0	112.4	D34 L35 E36 K41	D34-E38 PolarHBondContact O-N 3.14Å; D34-E38 VanDerWaalsContact O-N 3.1Å; L35-E38 PolarHBondContact O-N 3.21Å; E36-E38 VanDerWaalsContact C-N 3.28Å; E36-E38 PolarHBondContact O-N 2.84Å; E38-K41 VanDerWaalsContact O-CD 3.27Å; E38-K41 WeakPolarHBondContact O-CD 3.24Å; E38-K41 VanDerWaalsContact O-CG 3.31Å; E38-K41 WeakPolarHBondContact O-CG 3.47Å
39	V	93.7	Very high	92.5	Very high	106 Å²	106	89.6 Å²	89.6	64%	0.642	47%	0.466	S	S	*	.	H	α-helix	trans	-74	-37.4	-176.8	172.2	0	0	0	0	111.4	L35 E36	L35-V39 WeakPolarHBondContact O-CB 3.3Å; L35-V39 VanDerWaalsContact O-CG2 3.32Å; L35-V39 WeakPolarHBondContact O-CG2 3.25Å; L35-V39 PolarHBondContact O-N 2.64Å; E36-V39 PolarHBondContact O-N 3.04Å
40	M	94	Very high	92.3	Very high	53 Å²	53	89.3 Å²	89.3	26%	0.261	47%	0.465	S	S	.	.	S	Bend	trans	-95.5	4.4	-175	-57.6	-63.9	-122.8	0	0	113.8	E36 D42 V43 W46	E36-M40 HydrophobicContact CG-CG 4.18Å; E36-M40 VanDerWaalsContact O-CB 3.23Å; E36-M40 WeakPolarHBondContact O-CB 3.44Å; E36-M40 WeakPolarHBondContact O-CG 3.47Å; E36-M40 PolarHBondContact O-N 3.02Å; M40-D42 PolarHBondContact O-N 2.93Å; M40-D42 VanDerWaalsContact O-N 3.13Å; M40-V43 HydrophobicContact CB-CG2 4.5Å; M40-V43 PolarHBondContact O-N 3.11Å; M40-V43 HydrophobicContact SD-CG2 4.01Å; M40-W46 HydrophobicContact CB-CB 4.31Å; M40-W46 HydrophobicContact CB-CD2 4.11Å; M40-W46 HydrophobicContact CB-CG 3.61Å; M40-W46 HydrophobicContact CE-CD2 3.91Å; M40-W46 HydrophobicContact CE-CE3 3.95Å; M40-W46 HydrophobicContact CE-CH2 3.59Å; M40-W46 HydrophobicContact CE-CZ2 3.54Å; M40-W46 HydrophobicContact CE-CZ3 3.81Å; M40-W46 HydrophobicContact CG-CD2 4.19Å; M40-W46 HydrophobicContact CG-CG 4.22Å; M40-W46 HydrophobicContact CG-CZ2 4.31Å
41	K	92.9	Very high	92	Very high	142 Å²	142	89.8 Å²	89.8	62%	0.617	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.3	-33.5	-179.3	70.6	-172.2	178	-171.9	0	113.7	N37 E38	N37-K41 WeakPolarHBondContact O-CB 3.32Å; N37-K41 PolarHBondContact O-N 3.1Å; E38-K41 VanDerWaalsContact O-CD 3.27Å; E38-K41 WeakPolarHBondContact O-CD 3.24Å; E38-K41 VanDerWaalsContact O-CG 3.31Å; E38-K41 WeakPolarHBondContact O-CG 3.47Å
42	D	93.9	Very high	91.6	Very high	130 Å²	130	88.6 Å²	88.6	70%	0.695	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.9	-3.9	-174.4	-60.5	-48.4	0	0	0	112.2	M40 P44	M40-D42 PolarHBondContact O-N 2.93Å; M40-D42 VanDerWaalsContact O-N 3.13Å; D42-P44 WeakPolarHBondContact O-CD 3.3Å
43	V	93.1	Very high	91.3	Very high	54 Å²	54	89.6 Å²	89.6	33%	0.327	48%	0.477	S	S	.	.	S	Bend	trans	-84.2	117.4	-179.6	-179.5	0	0	0	0	109.6	M40 G45 W46	M40-V43 HydrophobicContact CB-CG2 4.5Å; M40-V43 PolarHBondContact O-N 3.11Å; M40-V43 HydrophobicContact SD-CG2 4.01Å; V43-G45 PolarHBondContact O-N 2.72Å; V43-W46 HydrophobicContact CB-CB 3.86Å; V43-W46 HydrophobicContact CG1-CB 3.99Å; V43-W46 WeakPolarHBondContact O-CB 3.49Å; V43-W46 PolarHBondContact O-N 3.42Å; V43-W46 VanDerWaalsContact O-N 3.13Å
44	P	91.4	Very high	91	Very high	125 Å²	125	90.3 Å²	90.3	81%	0.812	49%	0.486	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	124.9	-176.6	-24.7	34.7	0	0	0	112.5	D42 W46	D42-P44 WeakPolarHBondContact O-CD 3.3Å; P44-W46 PolarHBondContact O-N 2.78Å
45	G	87.6	Confident	90.6	Very high	72 Å²	72	90.2 Å²	90.2	74%	0.742	49%	0.489	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.3	3.3	177.9	0	0	0	0	0	115	V43 K47	V43-G45 PolarHBondContact O-N 2.72Å; G45-K47 PolarHBondContact O-N 3.37Å
46	W	93.2	Very high	90.2	Very high	46 Å²	46	91 Å²	91	17%	0.174	49%	0.493	C	S	.	.			trans	-66.9	132.7	174.6	-171.1	-93.1	0	0	0	110.9	E36 M40 V43 P44 W51 Y52	E36-W46 WeakPolarHBondContact OE1-CZ2 3.48Å; E36-W46 PolarHBondContact OE1-NE1 3.22Å; M40-W46 HydrophobicContact CB-CB 4.31Å; M40-W46 HydrophobicContact CB-CD2 4.11Å; M40-W46 HydrophobicContact CB-CG 3.61Å; M40-W46 HydrophobicContact CE-CD2 3.91Å; M40-W46 HydrophobicContact CE-CE3 3.95Å; M40-W46 HydrophobicContact CE-CH2 3.59Å; M40-W46 HydrophobicContact CE-CZ2 3.54Å; M40-W46 HydrophobicContact CE-CZ3 3.81Å; M40-W46 HydrophobicContact CG-CD2 4.19Å; M40-W46 HydrophobicContact CG-CG 4.22Å; M40-W46 HydrophobicContact CG-CZ2 4.31Å; V43-W46 HydrophobicContact CB-CB 3.86Å; V43-W46 HydrophobicContact CG1-CB 3.99Å; V43-W46 WeakPolarHBondContact O-CB 3.49Å; V43-W46 PolarHBondContact O-N 3.42Å; V43-W46 VanDerWaalsContact O-N 3.13Å; P44-W46 PolarHBondContact O-N 2.78Å; W46-W51 HydrophobicContact CH2-CZ3 4.47Å; W46-Y52 HydrophobicContact CZ3-CD2 4.46Å; W46-Y52 HydrophobicContact CZ3-CE2 4.09Å
47	K	91.1	Very high	89.8	Confident	144 Å²	144	92.3 Å²	92.3	63%	0.626	50%	0.496	S	S	*	.			trans	-136.8	120.6	173	-178.2	179.1	-179.9	179.9	0	108.5	G45 G49 T50	G45-K47 PolarHBondContact O-N 3.37Å; K47-G49 PolarHBondContact O-N 2.98Å; K47-T50 HydrophobicContact CD-CG2 4.31Å; K47-T50 HydrophobicContact CG-CG2 4.44Å; K47-T50 PolarHBondContact O-N 3.13Å; K47-T50 PolarHBondContact O-OG1 3.46Å
48	T	90.5	Very high	89.2	Confident	36 Å²	36	96.4 Å²	96.4	22%	0.221	51%	0.51	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.6	131.9	178.8	-60	0	0	0	0	112	R33 N37 T50	R33-T48 HydrophobicContact CG-CG2 3.62Å; N37-T48 VanDerWaalsContact OD1-CB 3.27Å; N37-T48 WeakPolarHBondContact OD1-CB 3.49Å; N37-T48 PolarHBondContact OD1-OG1 3.44Å; T48-T50 VanDerWaalsContact C-N 3.34Å
49	G	85.9	Confident	88.8	Confident	43 Å²	43	95.8 Å²	95.8	44%	0.443	52%	0.515	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.6	2.3	-174.7	0	0	0	0	0	115.2	K47 I56	K47-G49 PolarHBondContact O-N 2.98Å; G49-I56 PolarHBondContact O-N 3.01Å
50	T	89.3	Confident	88.5	Confident	21 Å²	21	92.7 Å²	92.7	13%	0.129	50%	0.495	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	145.1	168.3	75.2	0	0	0	0	110.9	K47 T48 E54	K47-T50 HydrophobicContact CD-CG2 4.31Å; K47-T50 HydrophobicContact CG-CG2 4.44Å; K47-T50 PolarHBondContact O-N 3.13Å; K47-T50 PolarHBondContact O-OG1 3.46Å; T48-T50 VanDerWaalsContact C-N 3.34Å; T50-E54 CarbonylContact C-O 3.43Å; T50-E54 WeakPolarHBondContact CA-O 3.23Å; T50-E54 WeakPolarHBondContact CB-O 3.39Å
51	W	86	Confident	88.2	Confident	158 Å²	158	94.2 Å²	94.2	60%	0.598	51%	0.509	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.2	96.8	166.9	-174.6	-108.6	0	0	0	108.6	W46 G53 E54 I56	W46-W51 HydrophobicContact CH2-CZ3 4.47Å; W51-G53 PolarHBondContact O-N 2.97Å; W51-E54 PolarHBondContact N-O 2.87Å; W51-E54 PolarHBondContact O-N 3.39Å; W51-I56 HydrophobicContact CB-CG1 4.31Å
52	Y	85.7	Confident	87.8	Confident	157 Å²	157	97.6 Å²	97.6	62%	0.616	52%	0.524	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.4	34.7	179.6	-68.5	-83.1	0	0	0	114.9	W46	W46-Y52 HydrophobicContact CZ3-CD2 4.46Å; W46-Y52 HydrophobicContact CZ3-CE2 4.09Å
53	G	84.2	Confident	87.4	Confident	56 Å²	56	99.5 Å²	99.5	58%	0.577	53%	0.534	S	S	*	.	T	Hydrogen-bonded Turn	trans	111.8	-20.6	179.1	0	0	0	0	0	114.9	W51	W51-G53 PolarHBondContact O-N 2.97Å
54	E	86.5	Confident	87.2	Confident	141 Å²	141	103 Å²	103	66%	0.659	54%	0.544	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.1	131.3	175.7	-64.9	-171.6	163.7	0	0	110.9	T50 W51 I56	T50-E54 CarbonylContact C-O 3.43Å; T50-E54 WeakPolarHBondContact CA-O 3.23Å; T50-E54 WeakPolarHBondContact CB-O 3.39Å; W51-E54 PolarHBondContact N-O 2.87Å; W51-E54 PolarHBondContact O-N 3.39Å; E54-I56 PolarHBondContact O-N 3.22Å
55	P	87.2	Confident	87	Confident	70 Å²	70	104.6 Å²	104.6	46%	0.455	53%	0.534	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	131.2	175.4	25.6	-30	0	0	0	110.1	Y57 F58	P55-Y57 PolarHBondContact O-N 3.48Å; P55-F58 HydrophobicContact CG-CB 4.01Å; P55-F58 PolarHBondContact O-N 2.92Å
56	I	85.1	Confident	87.1	Confident	94 Å²	94	107.1 Å²	107.1	48%	0.482	52%	0.522	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-41.4	179.6	-64.8	171.7	0	0	0	110.5	G49 W51 E54 F58	G49-I56 PolarHBondContact O-N 3.01Å; W51-I56 HydrophobicContact CB-CG1 4.31Å; E54-I56 PolarHBondContact O-N 3.22Å; I56-F58 PolarHBondContact O-N 3.42Å
57	Y	85.8	Confident	86.8	Confident	92 Å²	92	109 Å²	109	36%	0.361	54%	0.535	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.5	57.9	178.4	-60.4	-66.2	0	0	0	112.5	P55 T59 L60 W66	P55-Y57 PolarHBondContact O-N 3.48Å; Y57-T59 PolarHBondContact O-N 3.33Å; Y57-L60 HydrophobicContact CD1-CD1 4.22Å; Y57-L60 HydrophobicContact CG-CD1 4.33Å; Y57-L60 PolarHBondContact O-N 2.95Å; Y57-W66 HydrophobicContact CD1-CB 4.37Å; Y57-W66 AromaticContact CD1-CD1 3.92Å; Y57-W66 HydrophobicContact CD1-CG 4.02Å; Y57-W66 HydrophobicContact CE1-CB 4.31Å; Y57-W66 AromaticContact CE1-CD1 3.1Å; Y57-W66 HydrophobicContact CE1-CD2 4.34Å; Y57-W66 AromaticContact CE1-CG 3.65Å; Y57-W66 HydrophobicContact CE1-CG 3.65Å; Y57-W66 AromaticContact CE1-NE1 3.43Å; Y57-W66 AromaticContact CZ-CD1 3.17Å; Y57-W66 AromaticContact CZ-CG 3.96Å; Y57-W66 AromaticContact CZ-NE1 3.79Å
58	F	81.6	Confident	86.7	Confident	160 Å²	160	103.3 Å²	103.3	70%	0.702	51%	0.513	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.1	-18.8	-176.5	62.4	-91.6	0	0	0	115	P55 I56	P55-F58 HydrophobicContact CG-CB 4.01Å; P55-F58 PolarHBondContact O-N 2.92Å; I56-F58 PolarHBondContact O-N 3.42Å
59	T	86.8	Confident	86.5	Confident	111 Å²	111	106.4 Å²	106.4	68%	0.681	53%	0.527	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86	-12.5	178.4	56.4	0	0	0	0	113.6	Y57	Y57-T59 PolarHBondContact O-N 3.33Å
60	L	86.3	Confident	86.3	Confident	41 Å²	41	106.6 Å²	106.6	22%	0.215	52%	0.518	C	S	.	.	S	Bend	trans	-97.3	144.7	-176.8	-63.6	178.4	0	0	0	110.9	Y57 K64 W66	Y57-L60 HydrophobicContact CD1-CD1 4.22Å; Y57-L60 HydrophobicContact CG-CD1 4.33Å; Y57-L60 PolarHBondContact O-N 2.95Å; L60-K64 HydrophobicContact CD2-CD 4.15Å; L60-W66 HydrophobicContact CD1-CB 3.64Å; L60-W66 HydrophobicContact CD1-CD2 4.1Å; L60-W66 HydrophobicContact CD1-CE3 3.92Å; L60-W66 HydrophobicContact CD1-CG 4.02Å
61	P	87.7	Confident	86.1	Confident	86 Å²	86	112.4 Å²	112.4	56%	0.558	55%	0.545	S	S	*	.			trans	-56.5	144.6	166.6	-21.7	32.7	0	0	0	110.7	D63 K64	P61-D63 PolarHBondContact O-N 3.25Å; P61-D63 VanDerWaalsContact O-N 3.11Å; P61-K64 HydrophobicContact CB-CB 4.31Å; P61-K64 HydrophobicContact CG-CB 4.47Å; P61-K64 WeakPolarHBondContact O-CB 3.37Å; P61-K64 PolarHBondContact O-N 3.42Å
62	K	83.8	Confident	86	Confident	212 Å²	212	109.5 Å²	109.5	92%	0.922	54%	0.542	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-30.1	-176.9	-69.1	-177.4	179.3	177.1	0	114	K64	K62-K64 VanDerWaalsContact C-N 3.35Å
63	D	86.9	Confident	86.1	Confident	170 Å²	170	103.7 Å²	103.7	91%	0.909	52%	0.521	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.4	3.3	-177.9	-55.2	-39.5	0	0	0	113.2	P61	P61-D63 PolarHBondContact O-N 3.25Å; P61-D63 VanDerWaalsContact O-N 3.11Å
64	K	89.4	Confident	86.2	Confident	127 Å²	127	101.3 Å²	101.3	55%	0.552	50%	0.495	S	S	*	.			trans	-94.7	121.9	-179.8	-174.8	169.3	175.1	-175.8	0	110.4	L60 P61 K62	L60-K64 HydrophobicContact CD2-CD 4.15Å; P61-K64 HydrophobicContact CB-CB 4.31Å; P61-K64 HydrophobicContact CG-CB 4.47Å; P61-K64 WeakPolarHBondContact O-CB 3.37Å; P61-K64 PolarHBondContact O-N 3.42Å; K62-K64 VanDerWaalsContact C-N 3.35Å
65	W	86.8	Confident	86.2	Confident	159 Å²	159	97.5 Å²	97.5	60%	0.602	49%	0.487	S	S	*	.			trans	-65.8	139.9	169.6	175.8	-107.9	0	0	0	111.2	L26 L29	L26-W65 HydrophobicContact CD2-CH2 4.33Å; L26-W65 HydrophobicContact CD2-CZ2 4.06Å; L29-W65 HydrophobicContact CD1-CH2 3.7Å; L29-W65 HydrophobicContact CD1-CZ2 3.75Å
66	W	88.3	Confident	86.1	Confident	125 Å²	125	103.3 Å²	103.3	47%	0.473	51%	0.508	S	S	.	.			trans	-124.1	134.6	167	179.4	-95.3	0	0	0	108.8	Y57 L60 P68	Y57-W66 HydrophobicContact CD1-CB 4.37Å; Y57-W66 AromaticContact CD1-CD1 3.92Å; Y57-W66 HydrophobicContact CD1-CG 4.02Å; Y57-W66 HydrophobicContact CE1-CB 4.31Å; Y57-W66 AromaticContact CE1-CD1 3.1Å; Y57-W66 HydrophobicContact CE1-CD2 4.34Å; Y57-W66 AromaticContact CE1-CG 3.65Å; Y57-W66 HydrophobicContact CE1-CG 3.65Å; Y57-W66 AromaticContact CE1-NE1 3.43Å; Y57-W66 AromaticContact CZ-CD1 3.17Å; Y57-W66 AromaticContact CZ-CG 3.96Å; Y57-W66 AromaticContact CZ-NE1 3.79Å; L60-W66 HydrophobicContact CD1-CB 3.64Å; L60-W66 HydrophobicContact CD1-CD2 4.1Å; L60-W66 HydrophobicContact CD1-CE3 3.92Å; L60-W66 HydrophobicContact CD1-CG 4.02Å; W66-P68 WeakPolarHBondContact O-CD 3.27Å
67	D	88.2	Confident	86.2	Confident	86 Å²	86	100.4 Å²	100.4	46%	0.46	50%	0.498	S	S	.	.			trans	-86.9	113.5	177.1	-157	2.4	0	0	0	109.6	W25	W25-D67 PolarHBondContact NE1-OD1 3.12Å
68	P	88.2	Confident	86.2	Confident	24 Å²	24	103.8 Å²	103.8	16%	0.156	51%	0.51	C	S	.	.			trans	-62.9	151	-179.6	-20.8	34.7	0	0	0	111.3	L29 W66 D72	L29-P68 HydrophobicContact CD1-CG 4.4Å; L29-P68 HydrophobicContact CD2-CG 3.91Å; W66-P68 WeakPolarHBondContact O-CD 3.27Å; P68-D72 HydrophobicContact CB-CB 4.14Å
69	I	87.1	Confident	86.2	Confident	101 Å²	101	98.3 Å²	98.3	52%	0.518	50%	0.499	S	S	.	.			trans	-74.9	157.4	172.3	57.3	162.3	0	0	0	109.9	M71 D72	I69-M71 HydrophobicContact CD1-CB 4.01Å; I69-M71 HydrophobicContact CG1-CB 4.44Å; I69-M71 PolarHBondContact O-N 2.86Å; I69-M71 VanDerWaalsContact O-N 3.11Å; I69-D72 HydrophobicContact CG1-CB 4.32Å; I69-D72 WeakPolarHBondContact CG1-OD1 3.11Å; I69-D72 VanDerWaalsContact CG1-OD2 3.23Å; I69-D72 WeakPolarHBondContact CG1-OD2 3.47Å; I69-D72 PolarHBondContact N-OD2 3.13Å; I69-D72 WeakPolarHBondContact O-CB 3.46Å; I69-D72 PolarHBondContact O-N 3.14Å
70	D	80.4	Confident	85.8	Confident	48 Å²	48	96.9 Å²	96.9	26%	0.257	48%	0.481	S	S	.	.	H	α-helix	trans	-58.4	-30.6	-178	-72.1	-72.1	0	0	0	113.9	D72 L73 Q74 Y86	D70-D72 VanDerWaalsContact C-N 3.32Å; D70-D72 PolarHBondContact O-N 2.97Å; D70-L73 PolarHBondContact O-N 2.83Å; D70-Q74 WeakPolarHBondContact O-CA 3.32Å; D70-Q74 WeakPolarHBondContact O-CB 3.27Å; D70-Q74 WeakPolarHBondContact O-CG 3.43Å; D70-Q74 PolarHBondContact O-N 3.11Å; D70-Q74 PolarHBondContact OD1-NE2 2.88Å; D70-Y86 HydrophobicContact CB-CE2 4.5Å; D70-Y86 WeakPolarHBondContact CB-OH 3.34Å; D70-Y86 VanDerWaalsContact OD2-CE1 3.24Å; D70-Y86 WeakPolarHBondContact OD2-CE1 3.38Å; D70-Y86 PolarHBondContact OD2-OH 3.47Å
71	M	85	Confident	85.6	Confident	142 Å²	142	98 Å²	98	70%	0.7	49%	0.485	S	S	*	.	H	α-helix	trans	-65.1	-36	176.4	-169.1	173.1	179.4	0	0	112	I69 L73 A75	I69-M71 HydrophobicContact CD1-CB 4.01Å; I69-M71 HydrophobicContact CG1-CB 4.44Å; I69-M71 PolarHBondContact O-N 2.86Å; I69-M71 VanDerWaalsContact O-N 3.11Å; M71-L73 VanDerWaalsContact C-N 3.3Å; M71-L73 PolarHBondContact O-N 3.14Å; M71-A75 WeakPolarHBondContact O-CA 3.42Å; M71-A75 VanDerWaalsContact O-CB 3.28Å; M71-A75 WeakPolarHBondContact O-CB 3.47Å; M71-A75 PolarHBondContact O-N 3.04Å
72	D	85.9	Confident	85.4	Confident	97 Å²	97	95.8 Å²	95.8	52%	0.519	47%	0.468	S	S	.	.	H	α-helix	trans	-64.7	-38.9	-179	-62.4	-20.6	0	0	0	111.2	P68 I69 D70	P68-D72 HydrophobicContact CB-CB 4.14Å; I69-D72 HydrophobicContact CG1-CB 4.32Å; I69-D72 WeakPolarHBondContact CG1-OD1 3.11Å; I69-D72 VanDerWaalsContact CG1-OD2 3.23Å; I69-D72 WeakPolarHBondContact CG1-OD2 3.47Å; I69-D72 PolarHBondContact N-OD2 3.13Å; I69-D72 WeakPolarHBondContact O-CB 3.46Å; I69-D72 PolarHBondContact O-N 3.14Å; D70-D72 VanDerWaalsContact C-N 3.32Å; D70-D72 PolarHBondContact O-N 2.97Å
73	L	87.5	Confident	85.2	Confident	36 Å²	36	91.5 Å²	91.5	19%	0.188	45%	0.45	C	S	.	.	H	α-helix	trans	-88.6	-28.5	-177.8	-174.1	58.6	0	0	0	113	W25 Q28 L29 A32 D70 M71	W25-L73 HydrophobicContact CE3-CD2 3.94Å; W25-L73 HydrophobicContact CH2-CB 4.15Å; W25-L73 HydrophobicContact CH2-CD2 3.4Å; W25-L73 HydrophobicContact CH2-CG 4.42Å; W25-L73 HydrophobicContact CZ2-CD2 4.09Å; W25-L73 HydrophobicContact CZ3-CD2 3.32Å; Q28-L73 HydrophobicContact CB-CD2 4.41Å; Q28-L73 HydrophobicContact CG-CD2 3.8Å; Q28-L73 HydrophobicContact CG-CG 4.41Å; L29-L73 HydrophobicContact CD2-CB 4.4Å; L29-L73 HydrophobicContact CD2-CD1 3.81Å; L29-L73 HydrophobicContact CD2-CD2 3.53Å; L29-L73 HydrophobicContact CD2-CG 4.1Å; L29-L73 HydrophobicContact CG-CD2 4.04Å; A32-L73 HydrophobicContact CB-CD1 3.28Å; D70-L73 PolarHBondContact O-N 2.83Å; M71-L73 VanDerWaalsContact C-N 3.3Å; M71-L73 PolarHBondContact O-N 3.14Å
74	Q	84.9	Confident	84.8	Confident	6 Å²	6	89.4 Å²	89.4	3%	0.028	43%	0.434	C	S	.	.	H	α-helix	trans	-124.7	15.9	-164.9	-47.4	-171.5	42.2	0	0	113.7	D70 H76 A77 I82 R85	D70-Q74 WeakPolarHBondContact O-CA 3.32Å; D70-Q74 WeakPolarHBondContact O-CB 3.27Å; D70-Q74 WeakPolarHBondContact O-CG 3.43Å; D70-Q74 PolarHBondContact O-N 3.11Å; D70-Q74 PolarHBondContact OD1-NE2 2.88Å; Q74-H76 PolarHBondContact O-N 2.94Å; Q74-A77 HydrophobicContact CB-CB 3.87Å; Q74-A77 WeakPolarHBondContact O-CB 3.46Å; Q74-A77 PolarHBondContact O-N 3Å; Q74-I82 HydrophobicContact CB-CD1 4.11Å; Q74-I82 HydrophobicContact CB-CG1 4.14Å; Q74-I82 VanDerWaalsContact OE1-CA 3.31Å; Q74-I82 VanDerWaalsContact OE1-CG1 3.29Å; Q74-R85 VanDerWaalsContact CD-NH2 3.33Å
75	A	86.7	Confident	84.3	Confident	60 Å²	60	87.2 Å²	87.2	50%	0.496	42%	0.422	S	S	.	.	T	Hydrogen-bonded Turn	trans	-47.8	-36.6	179.9	0	0	0	0	0	114.1	M71	M71-A75 WeakPolarHBondContact O-CA 3.42Å; M71-A75 VanDerWaalsContact O-CB 3.28Å; M71-A75 WeakPolarHBondContact O-CB 3.47Å; M71-A75 PolarHBondContact O-N 3.04Å
76	H	86.4	Confident	83.8	Confident	192 Å²	192	85.9 Å²	85.9	89%	0.889	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107	5.4	-179.1	-54.7	-49.3	0	0	0	113.5	Q74	Q74-H76 PolarHBondContact O-N 2.94Å
77	A	86.1	Confident	83.2	Confident	33 Å²	33	85.2 Å²	85.2	27%	0.273	42%	0.416	S	S	.	.	S	Bend	trans	-77	143	176.7	0	0	0	0	0	110.5	Q74 G79 I82	Q74-A77 HydrophobicContact CB-CB 3.87Å; Q74-A77 WeakPolarHBondContact O-CB 3.46Å; Q74-A77 PolarHBondContact O-N 3Å; A77-G79 PolarHBondContact O-N 2.99Å; A77-I82 HydrophobicContact CB-CD1 4.31Å; A77-I82 HydrophobicContact CB-CG1 3.95Å
78	R	85.8	Confident	82.6	Confident	164 Å²	164	83.7 Å²	83.7	62%	0.619	40%	0.403	S	S	*	.			trans	-62.5	135.1	170.4	-64.6	178.9	169.2	-170.1	-4.4	109.5	R80 H81 I82	R78-R80 HydrophobicContact CB-CG 3.85Å; R78-R80 PolarHBondContact O-N 3.43Å; R78-H81 PolarHBondContact O-N 3.49Å; R78-I82 PolarHBondContact O-N 3.41Å
79	G	81.8	Confident	81.8	Confident	45 Å²	45	85.8 Å²	85.8	46%	0.464	42%	0.419	S	S	.	.	H	α-helix	trans	-54.3	-23.6	-176.3	0	0	0	0	0	115.4	A77 I82 K83	A77-G79 PolarHBondContact O-N 2.99Å; G79-I82 WeakPolarHBondContact O-CB 3.38Å; G79-K83 WeakPolarHBondContact O-CB 3.45Å; G79-K83 WeakPolarHBondContact O-CG 3.41Å; G79-K83 PolarHBondContact O-N 3.17Å
80	R	79.3	Confident	81	Confident	80 Å²	80	87 Å²	87	30%	0.302	42%	0.422	S	S	.	.	H	α-helix	trans	-66.9	-42.7	171	46.1	165.2	-78.3	166.2	-12.1	114.2	R78 I82 K83 Q84 W112 I113 K114	R78-R80 HydrophobicContact CB-CG 3.85Å; R78-R80 PolarHBondContact O-N 3.43Å; R80-I82 VanDerWaalsContact C-N 3.27Å; R80-I82 PolarHBondContact O-N 3.36Å; R80-K83 WeakPolarHBondContact O-CB 3.46Å; R80-K83 PolarHBondContact O-N 3.01Å; R80-Q84 WeakPolarHBondContact O-CB 3.42Å; R80-Q84 PolarHBondContact O-N 2.98Å; R80-W112 PolarHBondContact NH1-O 3.45Å; R80-I113 PolarHBondContact NH1-O 3.43Å; R80-I113 VanDerWaalsContact NH2-C 3.33Å; R80-I113 PolarHBondContact NH2-O 2.89Å; R80-K114 VanDerWaalsContact CZ-OXT 3.23Å; R80-K114 PolarHBondContact NH1-O 3Å; R80-K114 PolarHBondContact NH1-OXT 2.93Å; R80-K114 PolarHBondContact NH2-O 3.31Å
81	H	81.4	Confident	80.3	Confident	64 Å²	64	88.4 Å²	88.4	30%	0.296	43%	0.427	S	S	.	.	H	α-helix	trans	-67.6	-34.6	175.4	-62.7	-55.5	0	0	0	110.8	R78 R85	R78-H81 PolarHBondContact O-N 3.49Å; H81-R85 VanDerWaalsContact O-CG 3.3Å; H81-R85 WeakPolarHBondContact O-CG 3.47Å; H81-R85 PolarHBondContact O-N 3.47Å; H81-R85 VanDerWaalsContact O-N 3.14Å; H81-R85 PolarHBondContact O-NE 3.35Å
82	I	83.1	Confident	79.3	Confident	40 Å²	40	86 Å²	86	21%	0.205	42%	0.417	C	S	.	.	H	α-helix	trans	-59.4	-51.7	171.2	-50.6	-173.4	0	0	0	109.6	Q74 A77 R78 G79 R80 Q84 R85 Y86	Q74-I82 HydrophobicContact CB-CD1 4.11Å; Q74-I82 HydrophobicContact CB-CG1 4.14Å; Q74-I82 VanDerWaalsContact OE1-CA 3.31Å; Q74-I82 VanDerWaalsContact OE1-CG1 3.29Å; A77-I82 HydrophobicContact CB-CD1 4.31Å; A77-I82 HydrophobicContact CB-CG1 3.95Å; R78-I82 PolarHBondContact O-N 3.41Å; G79-I82 WeakPolarHBondContact O-CB 3.38Å; R80-I82 VanDerWaalsContact C-N 3.27Å; R80-I82 PolarHBondContact O-N 3.36Å; I82-Q84 PolarHBondContact O-N 3.18Å; I82-R85 PolarHBondContact O-N 2.9Å; I82-Y86 HydrophobicContact CG2-CD2 3.6Å; I82-Y86 HydrophobicContact CG2-CE2 3.35Å; I82-Y86 VanDerWaalsContact O-CD2 3.25Å; I82-Y86 WeakPolarHBondContact O-CD2 3.48Å; I82-Y86 PolarHBondContact O-N 3.09Å
83	K	80.1	Confident	78.4	Confident	123 Å²	123	89.5 Å²	89.5	54%	0.535	43%	0.43	S	S	.	.	H	α-helix	trans	-59.7	-43.4	177.4	-81.2	171.8	168	-174.3	0	113.6	G79 R80 R85 Y86 R87	G79-K83 WeakPolarHBondContact O-CB 3.45Å; G79-K83 WeakPolarHBondContact O-CG 3.41Å; G79-K83 PolarHBondContact O-N 3.17Å; R80-K83 WeakPolarHBondContact O-CB 3.46Å; R80-K83 PolarHBondContact O-N 3.01Å; K83-R85 PolarHBondContact O-N 3.35Å; K83-Y86 PolarHBondContact O-N 3Å; K83-R87 VanDerWaalsContact O-CB 3.24Å; K83-R87 WeakPolarHBondContact O-CB 3.49Å; K83-R87 WeakPolarHBondContact O-CG 3.3Å; K83-R87 PolarHBondContact O-N 3.12Å
84	Q	78.9	Confident	77.4	Confident	126 Å²	126	96 Å²	96	59%	0.589	45%	0.454	S	S	*	.	H	α-helix	trans	-61.6	-35.7	178.6	-171.7	178	29.3	0	0	111.4	R80 I82 R87 W88	R80-Q84 WeakPolarHBondContact O-CB 3.42Å; R80-Q84 PolarHBondContact O-N 2.98Å; I82-Q84 PolarHBondContact O-N 3.18Å; Q84-R87 CarbonylContact O-C 3.29Å; Q84-R87 VanDerWaalsContact O-C 3.29Å; Q84-W88 PolarHBondContact O-N 3.48Å
85	R	78.9	Confident	76.6	Confident	80 Å²	80	98.7 Å²	98.7	30%	0.302	48%	0.477	S	S	.	.	H	α-helix	trans	-75.4	-42.6	177.6	-71.9	-175.9	-82.3	-145.4	5.5	113.2	Q74 H81 I82 K83 R87 W88	Q74-R85 VanDerWaalsContact CD-NH2 3.33Å; H81-R85 VanDerWaalsContact O-CG 3.3Å; H81-R85 WeakPolarHBondContact O-CG 3.47Å; H81-R85 PolarHBondContact O-N 3.47Å; H81-R85 VanDerWaalsContact O-N 3.14Å; H81-R85 PolarHBondContact O-NE 3.35Å; I82-R85 PolarHBondContact O-N 2.9Å; K83-R85 PolarHBondContact O-N 3.35Å; R85-R87 VanDerWaalsContact C-N 3.28Å; R85-R87 PolarHBondContact O-N 3.48Å; R85-W88 WeakPolarHBondContact O-CB 3.34Å; R85-W88 PolarHBondContact O-N 3.41Å
86	Y	76.5	Confident	76	Confident	131 Å²	131	97.6 Å²	97.6	51%	0.514	47%	0.471	S	S	.	.	H	α-helix	trans	-63.2	-38.6	172.7	-81.1	-65.2	0	0	0	112.2	D70 I82 K83 W88	D70-Y86 HydrophobicContact CB-CE2 4.5Å; D70-Y86 WeakPolarHBondContact CB-OH 3.34Å; D70-Y86 VanDerWaalsContact OD2-CE1 3.24Å; D70-Y86 WeakPolarHBondContact OD2-CE1 3.38Å; D70-Y86 PolarHBondContact OD2-OH 3.47Å; I82-Y86 HydrophobicContact CG2-CD2 3.6Å; I82-Y86 HydrophobicContact CG2-CE2 3.35Å; I82-Y86 VanDerWaalsContact O-CD2 3.25Å; I82-Y86 WeakPolarHBondContact O-CD2 3.48Å; I82-Y86 PolarHBondContact O-N 3.09Å; K83-Y86 PolarHBondContact O-N 3Å; Y86-W88 VanDerWaalsContact C-N 3.29Å; Y86-W88 VanDerWaalsContact O-CD1 3.26Å; Y86-W88 PolarHBondContact O-N 2.92Å
87	R	75.7	Confident	75.6	Confident	112 Å²	112	94.4 Å²	94.4	42%	0.423	47%	0.467	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.2	44.2	178.7	-61.1	-170.6	-96.8	-152.7	15.8	111.6	K83 Q84 R85 S89 E90	K83-R87 VanDerWaalsContact O-CB 3.24Å; K83-R87 WeakPolarHBondContact O-CB 3.49Å; K83-R87 WeakPolarHBondContact O-CG 3.3Å; K83-R87 PolarHBondContact O-N 3.12Å; Q84-R87 CarbonylContact O-C 3.29Å; Q84-R87 VanDerWaalsContact O-C 3.29Å; R85-R87 VanDerWaalsContact C-N 3.28Å; R85-R87 PolarHBondContact O-N 3.48Å; R87-S89 PolarHBondContact O-N 3.28Å; R87-S89 VanDerWaalsContact O-N 3.12Å; R87-E90 HydrophobicContact CB-CB 4.05Å; R87-E90 HydrophobicContact CB-CG 4.23Å; R87-E90 WeakPolarHBondContact CD-OE2 3.29Å; R87-E90 PolarHBondContact O-N 3.01Å
88	W	73.9	Confident	75	Confident	53 Å²	53	94.4 Å²	94.4	20%	0.201	46%	0.462	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-25.3	177.2	58.8	-85.8	0	0	0	112.9	M17 L18 R21 Q84 R85 Y86 H91	M17-W88 HydrophobicContact CB-CH2 3.66Å; M17-W88 HydrophobicContact CB-CZ3 3.68Å; M17-W88 HydrophobicContact CG-CZ3 4.49Å; M17-W88 WeakPolarHBondContact O-CH2 3.45Å; M17-W88 VanDerWaalsContact O-CZ3 3.29Å; M17-W88 WeakPolarHBondContact O-CZ3 3.44Å; L18-W88 HydrophobicContact CD2-CH2 4.5Å; L18-W88 HydrophobicContact CD2-CZ2 4.14Å; R21-W88 HydrophobicContact CB-CD2 3.84Å; R21-W88 HydrophobicContact CB-CE3 4.15Å; R21-W88 HydrophobicContact CB-CG 4.28Å; R21-W88 HydrophobicContact CB-CH2 4.38Å; R21-W88 HydrophobicContact CB-CZ2 4.11Å; R21-W88 HydrophobicContact CB-CZ3 4.4Å; R21-W88 VanDerWaalsContact CD-CE2 3.5Å; R21-W88 HydrophobicContact CG-CD2 3.9Å; R21-W88 HydrophobicContact CG-CG 3.9Å; R21-W88 HydrophobicContact CG-CZ2 4.33Å; Q84-W88 PolarHBondContact O-N 3.48Å; R85-W88 WeakPolarHBondContact O-CB 3.34Å; R85-W88 PolarHBondContact O-N 3.41Å; Y86-W88 VanDerWaalsContact C-N 3.29Å; Y86-W88 VanDerWaalsContact O-CD1 3.26Å; Y86-W88 PolarHBondContact O-N 2.92Å; W88-H91 PolarHBondContact O-CD2 3.25Å; W88-H91 PolarHBondContact O-NE2 2.96Å
89	S	71.7	Confident	74.8	Confident	68 Å²	68	95.4 Å²	95.4	48%	0.476	47%	0.466	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-15.7	174.7	56.6	0	0	0	0	113.8	R87	R87-S89 PolarHBondContact O-N 3.28Å; R87-S89 VanDerWaalsContact O-N 3.12Å
90	E	71.3	Confident	74.8	Confident	127 Å²	127	97 Å²	97	59%	0.593	46%	0.458	S	S	*	.			trans	-104.4	79.6	-177.2	-55.7	173.8	-154.1	0	0	109.2	R87	R87-E90 HydrophobicContact CB-CB 4.05Å; R87-E90 HydrophobicContact CB-CG 4.23Å; R87-E90 WeakPolarHBondContact CD-OE2 3.29Å; R87-E90 PolarHBondContact O-N 3.01Å
91	H	65.6	Low	74.8	Confident	77 Å²	77	96.5 Å²	96.5	36%	0.356	46%	0.461	S	S	.	.			trans	-80.6	124.8	171	-66.2	-89.8	0	0	0	109.9	W88 E93 Y94	W88-H91 PolarHBondContact O-CD2 3.25Å; W88-H91 PolarHBondContact O-NE2 2.96Å; H91-E93 PolarHBondContact O-N 3.48Å; H91-Y94 HydrophobicContact CB-CD2 3.67Å; H91-Y94 HydrophobicContact CB-CE2 3.66Å; H91-Y94 HydrophobicContact CB-CG 4.13Å; H91-Y94 AromaticContact CD2-CE2 3.54Å; H91-Y94 AromaticContact CD2-CZ 4Å; H91-Y94 AromaticContact CG-CE2 3.9Å; H91-Y94 WeakPolarHBondContact O-CB 3.46Å; H91-Y94 PolarHBondContact O-N 3.42Å
92	D	64.8	Low	74.9	Confident	92 Å²	92	101.6 Å²	101.6	49%	0.492	48%	0.482	S	S	.	.	G	3₁₀ helix	trans	-59.1	-28	176.2	-163	53.9	0	0	0	112	Y94 A95 H98	D92-Y94 PolarHBondContact O-N 2.98Å; D92-Y94 VanDerWaalsContact O-N 3.14Å; D92-A95 VanDerWaalsContact O-CB 3.27Å; D92-A95 WeakPolarHBondContact O-CB 3.32Å; D92-A95 PolarHBondContact O-N 2.95Å; D92-H98 IonicContact OD1-CE1 3.04Å; D92-H98 PolarHBondContact OD1-CE1 3.35Å; D92-H98 IonicContact OD1-NE2 3.14Å; D92-H98 PolarHBondContact OD1-NE2 3.41Å; D92-H98 IonicContact OD2-CD2 3.95Å; D92-H98 IonicContact OD2-NE2 3.82Å; D92-H98 PolarHBondContact OD2-NE2 3.36Å
93	E	65.8	Low	75.1	Confident	170 Å²	170	107.3 Å²	107.3	79%	0.794	50%	0.502	S	S	*	.	G	3₁₀ helix	trans	-57.1	-26.8	173.7	-60.8	174.4	-155.6	0	0	113.2	H91	H91-E93 PolarHBondContact O-N 3.48Å
94	Y	65.8	Low	75.2	Confident	174 Å²	174	106 Å²	106	68%	0.682	50%	0.497	S	S	*	.	G	3₁₀ helix	trans	-83.6	-15.4	177.5	-57	-29.8	0	0	0	113.4	H91 D92 G96	H91-Y94 HydrophobicContact CB-CD2 3.67Å; H91-Y94 HydrophobicContact CB-CE2 3.66Å; H91-Y94 HydrophobicContact CB-CG 4.13Å; H91-Y94 AromaticContact CD2-CE2 3.54Å; H91-Y94 AromaticContact CD2-CZ 4Å; H91-Y94 AromaticContact CG-CE2 3.9Å; H91-Y94 WeakPolarHBondContact O-CB 3.46Å; H91-Y94 PolarHBondContact O-N 3.42Å; D92-Y94 PolarHBondContact O-N 2.98Å; D92-Y94 VanDerWaalsContact O-N 3.14Å; Y94-G96 PolarHBondContact O-N 2.92Å; Y94-G96 VanDerWaalsContact O-N 3.12Å
95	A	69.4	Low	75.3	Confident	62 Å²	62	103.2 Å²	103.2	51%	0.512	49%	0.492	S	S	.	.	G	3₁₀ helix	trans	-69.5	-8	-178.3	0	0	0	0	0	113	D92 H98	D92-A95 VanDerWaalsContact O-CB 3.27Å; D92-A95 WeakPolarHBondContact O-CB 3.32Å; D92-A95 PolarHBondContact O-N 2.95Å; A95-H98 WeakPolarHBondContact CB-CE1 3.5Å
96	G	74.6	Confident	75.2	Confident	37 Å²	37	107.7 Å²	107.7	38%	0.381	51%	0.513	S	S	.	.			trans	70.2	-170.3	-173.8	0	0	0	0	0	111.6	Y94 H98	Y94-G96 PolarHBondContact O-N 2.92Å; Y94-G96 VanDerWaalsContact O-N 3.12Å; G96-H98 PolarHBondContact O-N 3.39Å; G96-H98 VanDerWaalsContact O-N 3.13Å
97	P	76.6	Confident	75.5	Confident	124 Å²	124	105.6 Å²	105.6	81%	0.805	52%	0.518	S	S	*	.	S	Bend	trans	-62.4	117.3	176.5	-18.1	30.6	0	0	0	109.7	D101	P97-D101 WeakPolarHBondContact CA-OD2 3.47Å
98	H	74.7	Confident	75.6	Confident	33 Å²	33	105.2 Å²	105.2	15%	0.153	52%	0.52	C	S	.	.			trans	-70.6	149.2	175.3	-65.7	-72.3	0	0	0	109.5	D92 A95 G96 W100 D101	D92-H98 IonicContact OD1-CE1 3.04Å; D92-H98 PolarHBondContact OD1-CE1 3.35Å; D92-H98 IonicContact OD1-NE2 3.14Å; D92-H98 PolarHBondContact OD1-NE2 3.41Å; D92-H98 IonicContact OD2-CD2 3.95Å; D92-H98 IonicContact OD2-NE2 3.82Å; D92-H98 PolarHBondContact OD2-NE2 3.36Å; A95-H98 WeakPolarHBondContact CB-CE1 3.5Å; G96-H98 PolarHBondContact O-N 3.39Å; G96-H98 VanDerWaalsContact O-N 3.13Å; H98-W100 HydrophobicContact CB-CD2 3.65Å; H98-W100 HydrophobicContact CB-CE3 4.2Å; H98-W100 HydrophobicContact CB-CG 4.06Å; H98-W100 HydrophobicContact CB-CH2 4.04Å; H98-W100 HydrophobicContact CB-CZ2 3.51Å; H98-W100 HydrophobicContact CB-CZ3 4.37Å; H98-W100 AromaticContact CD2-CE2 3.91Å; H98-W100 AromaticContact CD2-CZ2 3.63Å; H98-W100 AromaticContact CD2-NE1 3.85Å; H98-W100 AromaticContact CE1-CH2 3.98Å; H98-W100 AromaticContact CE1-CZ2 3.65Å; H98-W100 AromaticContact CG-CE2 3.48Å; H98-W100 VanDerWaalsContact CG-CE2 3.48Å; H98-W100 AromaticContact CG-CH2 3.8Å; H98-W100 AromaticContact CG-CZ2 3.2Å; H98-W100 AromaticContact CG-NE1 3.77Å; H98-W100 AromaticContact ND1-CE2 3.99Å; H98-W100 AromaticContact ND1-CH2 3.39Å; H98-W100 WeakPolarHBondContact ND1-CH2 3.5Å; H98-W100 AromaticContact ND1-CZ2 3.23Å; H98-W100 WeakPolarHBondContact ND1-CZ2 3.26Å; H98-W100 AromaticContact NE2-CZ2 3.87Å; H98-W100 PolarHBondContact O-N 3.03Å; H98-D101 PolarHBondContact N-OD2 3.49Å; H98-D101 WeakPolarHBondContact O-CB 3.41Å; H98-D101 PolarHBondContact O-N 3.3Å
99	W	81.3	Confident	75.6	Confident	186 Å²	186	103.5 Å²	103.5	71%	0.705	51%	0.514	S	S	*	.	G	3₁₀ helix	trans	-59.6	-24.8	179.2	68	-95.1	0	0	0	112.5	Y103	W99-Y103 HydrophobicContact CE3-CD2 4.35Å; W99-Y103 HydrophobicContact CE3-CE2 4.33Å; W99-Y103 HydrophobicContact CZ3-CD2 4.42Å
100	W	81.5	Confident	75.7	Confident	77 Å²	77	104.5 Å²	104.5	29%	0.292	51%	0.514	S	S	.	.	G	3₁₀ helix	trans	-83.3	-13	179	60.2	69.4	0	0	0	114.6	H98 K102 Y103 F104	H98-W100 HydrophobicContact CB-CD2 3.65Å; H98-W100 HydrophobicContact CB-CE3 4.2Å; H98-W100 HydrophobicContact CB-CG 4.06Å; H98-W100 HydrophobicContact CB-CH2 4.04Å; H98-W100 HydrophobicContact CB-CZ2 3.51Å; H98-W100 HydrophobicContact CB-CZ3 4.37Å; H98-W100 AromaticContact CD2-CE2 3.91Å; H98-W100 AromaticContact CD2-CZ2 3.63Å; H98-W100 AromaticContact CD2-NE1 3.85Å; H98-W100 AromaticContact CE1-CH2 3.98Å; H98-W100 AromaticContact CE1-CZ2 3.65Å; H98-W100 AromaticContact CG-CE2 3.48Å; H98-W100 VanDerWaalsContact CG-CE2 3.48Å; H98-W100 AromaticContact CG-CH2 3.8Å; H98-W100 AromaticContact CG-CZ2 3.2Å; H98-W100 AromaticContact CG-NE1 3.77Å; H98-W100 AromaticContact ND1-CE2 3.99Å; H98-W100 AromaticContact ND1-CH2 3.39Å; H98-W100 WeakPolarHBondContact ND1-CH2 3.5Å; H98-W100 AromaticContact ND1-CZ2 3.23Å; H98-W100 WeakPolarHBondContact ND1-CZ2 3.26Å; H98-W100 AromaticContact NE2-CZ2 3.87Å; H98-W100 PolarHBondContact O-N 3.03Å; W100-K102 PolarHBondContact O-N 3.31Å; W100-K102 VanDerWaalsContact O-N 3.1Å; W100-Y103 PolarHBondContact O-N 2.97Å; W100-F104 HydrophobicContact CB-CD2 3.79Å; W100-F104 HydrophobicContact CB-CE2 3.87Å; W100-F104 HydrophobicContact CG-CD2 4.36Å; W100-F104 PolarHBondContact O-N 3.23Å; W100-F104 VanDerWaalsContact O-N 3.11Å
101	D	79.9	Confident	75.7	Confident	71 Å²	71	104.6 Å²	104.6	38%	0.38	52%	0.519	S	S	.	.	G	3₁₀ helix	trans	-61.2	-21.9	176.2	-66.6	-19.7	0	0	0	112.4	P97 H98	P97-D101 WeakPolarHBondContact CA-OD2 3.47Å; H98-D101 PolarHBondContact N-OD2 3.49Å; H98-D101 WeakPolarHBondContact O-CB 3.41Å; H98-D101 PolarHBondContact O-N 3.3Å
102	K	83.4	Confident	75.7	Confident	170 Å²	170	110 Å²	110	74%	0.739	54%	0.536	S	S	*	.	G	3₁₀ helix	trans	-72.5	-27.6	174.5	-174.9	177.4	177.5	-177.9	0	113.2	W100	W100-K102 PolarHBondContact O-N 3.31Å; W100-K102 VanDerWaalsContact O-N 3.1Å
103	Y	86.9	Confident	75.4	Confident	160 Å²	160	109.9 Å²	109.9	63%	0.627	54%	0.535	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.4	-30.3	-167.5	-63.2	-76.4	0	0	0	113.1	W99 W100	W99-Y103 HydrophobicContact CE3-CD2 4.35Å; W99-Y103 HydrophobicContact CE3-CE2 4.33Å; W99-Y103 HydrophobicContact CZ3-CD2 4.42Å; W100-Y103 PolarHBondContact O-N 2.97Å
104	F	82	Confident	74.9	Confident	95 Å²	95	109.5 Å²	109.5	42%	0.417	53%	0.53	S	S	.	.	S	Bend	trans	-97.9	138.9	179	-64.7	-69.5	0	0	0	111.5	W100 F108 L109	W100-F104 HydrophobicContact CB-CD2 3.79Å; W100-F104 HydrophobicContact CB-CE2 3.87Å; W100-F104 HydrophobicContact CG-CD2 4.36Å; W100-F104 PolarHBondContact O-N 3.23Å; W100-F104 VanDerWaalsContact O-N 3.11Å; F104-F108 HydrophobicContact CB-CD1 3.98Å; F104-F108 AromaticContact CD1-CD1 3.47Å; F104-F108 HydrophobicContact CD1-CD1 3.47Å; F104-F108 VanDerWaalsContact CD1-CD1 3.47Å; F104-F108 AromaticContact CD1-CE1 3.49Å; F104-F108 HydrophobicContact CD1-CE1 3.49Å; F104-F108 VanDerWaalsContact CD1-CE1 3.49Å; F104-F108 HydrophobicContact CD1-CG 4.43Å; F104-F108 HydrophobicContact CD1-CZ 4.47Å; F104-F108 HydrophobicContact CE1-CD1 4.21Å; F104-F108 AromaticContact CE1-CE1 3.74Å; F104-F108 HydrophobicContact CE1-CE1 3.74Å; F104-F108 HydrophobicContact CE1-CZ 4.46Å; F104-F108 AromaticContact CG-CD1 3.89Å; F104-F108 HydrophobicContact CG-CD1 3.89Å; F104-F108 HydrophobicContact CG-CE1 4.12Å; F104-L109 HydrophobicContact CB-CD1 4Å; F104-L109 HydrophobicContact CB-CD2 3.77Å; F104-L109 HydrophobicContact CB-CG 3.66Å; F104-L109 HydrophobicContact CD2-CD2 4.24Å; F104-L109 HydrophobicContact CG-CD2 4.25Å
105	S	81	Confident	75.4	Confident	69 Å²	69	106.3 Å²	106.3	48%	0.483	52%	0.523	S	S	.	.			trans	-66.2	146.5	172.3	69.3	0	0	0	0	109.9	S107 F108 L109	S105-S107 PolarHBondContact O-N 3.24Å; S105-S107 VanDerWaalsContact O-N 3.16Å; S105-S107 PolarHBondContact OG-OG 3.21Å; S105-F108 WeakPolarHBondContact O-CB 3.35Å; S105-F108 PolarHBondContact O-N 3.45Å; S105-F108 PolarHBondContact OG-N 3.47Å; S105-L109 PolarHBondContact O-N 3.3Å
106	K	77.1	Confident	75.7	Confident	173 Å²	173	108.6 Å²	108.6	75%	0.752	52%	0.523	S	S	*	.	H	α-helix	trans	-54.2	-35.6	176.5	-72.1	-170.3	176.8	-173	0	112.7	F108 L109 D110	K106-F108 VanDerWaalsContact C-N 3.34Å; K106-F108 PolarHBondContact O-N 2.97Å; K106-L109 PolarHBondContact O-N 2.97Å; K106-D110 VanDerWaalsContact O-CB 3.27Å; K106-D110 WeakPolarHBondContact O-CB 3.48Å; K106-D110 PolarHBondContact O-N 3.06Å
107	S	82.1	Confident	75.7	Confident	88 Å²	88	112.6 Å²	112.6	62%	0.615	53%	0.531	S	S	*	.	H	α-helix	trans	-64.7	-37.5	177.6	69.6	0	0	0	0	112.9	S105 D111	S105-S107 PolarHBondContact O-N 3.24Å; S105-S107 VanDerWaalsContact O-N 3.16Å; S105-S107 PolarHBondContact OG-OG 3.21Å; S107-D111 WeakPolarHBondContact O-CB 3.32Å; S107-D111 PolarHBondContact O-N 3.18Å; S107-D111 VanDerWaalsContact O-N 3.14Å
108	F	79.4	Confident	75.7	Confident	104 Å²	104	111.9 Å²	111.9	46%	0.456	52%	0.515	S	S	.	.	H	α-helix	trans	-70.2	-43.6	176.7	178.7	-96.3	0	0	0	110.6	F104 S105 K106 D111 W112	F104-F108 HydrophobicContact CB-CD1 3.98Å; F104-F108 AromaticContact CD1-CD1 3.47Å; F104-F108 HydrophobicContact CD1-CD1 3.47Å; F104-F108 VanDerWaalsContact CD1-CD1 3.47Å; F104-F108 AromaticContact CD1-CE1 3.49Å; F104-F108 HydrophobicContact CD1-CE1 3.49Å; F104-F108 VanDerWaalsContact CD1-CE1 3.49Å; F104-F108 HydrophobicContact CD1-CG 4.43Å; F104-F108 HydrophobicContact CD1-CZ 4.47Å; F104-F108 HydrophobicContact CE1-CD1 4.21Å; F104-F108 AromaticContact CE1-CE1 3.74Å; F104-F108 HydrophobicContact CE1-CE1 3.74Å; F104-F108 HydrophobicContact CE1-CZ 4.46Å; F104-F108 AromaticContact CG-CD1 3.89Å; F104-F108 HydrophobicContact CG-CD1 3.89Å; F104-F108 HydrophobicContact CG-CE1 4.12Å; S105-F108 WeakPolarHBondContact O-CB 3.35Å; S105-F108 PolarHBondContact O-N 3.45Å; S105-F108 PolarHBondContact OG-N 3.47Å; K106-F108 VanDerWaalsContact C-N 3.34Å; K106-F108 PolarHBondContact O-N 2.97Å; F108-D111 PolarHBondContact O-N 3.28Å; F108-W112 WeakPolarHBondContact O-CB 3.28Å; F108-W112 PolarHBondContact O-N 3.1Å
109	L	73.6	Confident	75.8	Confident	16 Å²	16	116.8 Å²	116.8	8%	0.084	54%	0.538	C	S	.	.	H	α-helix	trans	-63.8	-45	176.1	-68.3	172.1	0	0	0	111.5	F104 S105 K106 D111 W112 I113	F104-L109 HydrophobicContact CB-CD1 4Å; F104-L109 HydrophobicContact CB-CD2 3.77Å; F104-L109 HydrophobicContact CB-CG 3.66Å; F104-L109 HydrophobicContact CD2-CD2 4.24Å; F104-L109 HydrophobicContact CG-CD2 4.25Å; S105-L109 PolarHBondContact O-N 3.3Å; K106-L109 PolarHBondContact O-N 2.97Å; L109-D111 VanDerWaalsContact C-N 3.33Å; L109-D111 PolarHBondContact O-N 2.91Å; L109-W112 CarbonylContact O-C 3.57Å; L109-W112 PolarHBondContact O-N 3.28Å; L109-I113 HydrophobicContact CB-CD1 4.11Å; L109-I113 WeakPolarHBondContact O-CB 3.44Å; L109-I113 WeakPolarHBondContact O-CD1 3.36Å; L109-I113 WeakPolarHBondContact O-CG1 3.48Å; L109-I113 PolarHBondContact O-N 2.88Å
110	D	72.5	Confident	75.4	Confident	90 Å²	90	112.2 Å²	112.2	48%	0.481	53%	0.526	S	S	.	.	H	α-helix	trans	-62.1	-38.6	178.9	-75.5	-12.9	0	0	0	112.2	K106 I113 K114	K106-D110 VanDerWaalsContact O-CB 3.27Å; K106-D110 WeakPolarHBondContact O-CB 3.48Å; K106-D110 PolarHBondContact O-N 3.06Å; D110-I113 CarbonylContact O-C 3.58Å; D110-I113 PolarHBondContact O-N 3.12Å; D110-K114 VanDerWaalsContact O-CB 3.31Å; D110-K114 WeakPolarHBondContact O-CB 3.44Å; D110-K114 VanDerWaalsContact O-CG 3.29Å; D110-K114 WeakPolarHBondContact O-CG 3.38Å; D110-K114 PolarHBondContact O-N 2.95Å
111	D	72.4	Confident	75	Confident	128 Å²	128	114.7 Å²	114.7	68%	0.684	54%	0.543	S	S	*	.	H	α-helix	trans	-70.3	-36.5	176	-164.3	48.9	0	0	0	111.5	S107 F108 L109	S107-D111 WeakPolarHBondContact O-CB 3.32Å; S107-D111 PolarHBondContact O-N 3.18Å; S107-D111 VanDerWaalsContact O-N 3.14Å; F108-D111 PolarHBondContact O-N 3.28Å; L109-D111 VanDerWaalsContact C-N 3.33Å; L109-D111 PolarHBondContact O-N 2.91Å
112	W	64.3	Low	74.6	Confident	190 Å²	190	118.1 Å²	118.1	72%	0.72	56%	0.556	S	S	*	*	H	α-helix	trans	-72.1	-32.7	175.2	-155.2	71.7	0	0	0	112.6	R80 F108 L109	R80-W112 PolarHBondContact NH1-O 3.45Å; F108-W112 WeakPolarHBondContact O-CB 3.28Å; F108-W112 PolarHBondContact O-N 3.1Å; L109-W112 CarbonylContact O-C 3.57Å; L109-W112 PolarHBondContact O-N 3.28Å
113	I	59.8	Low	73.8	Confident	90 Å²	90	113.8 Å²	113.8	46%	0.462	54%	0.54	S	S	.	.	H	α-helix	trans	-87.5	-4.3	179	-62	161.1	0	0	0	112.1	R80 L109 D110	R80-I113 PolarHBondContact NH1-O 3.43Å; R80-I113 VanDerWaalsContact NH2-C 3.33Å; R80-I113 PolarHBondContact NH2-O 2.89Å; L109-I113 HydrophobicContact CB-CD1 4.11Å; L109-I113 WeakPolarHBondContact O-CB 3.44Å; L109-I113 WeakPolarHBondContact O-CD1 3.36Å; L109-I113 WeakPolarHBondContact O-CG1 3.48Å; L109-I113 PolarHBondContact O-N 2.88Å; D110-I113 CarbonylContact O-C 3.58Å; D110-I113 PolarHBondContact O-N 3.12Å
114	K	55.1	Low	72.7	Confident	162 Å²	162	109.5 Å²	109.5	70%	0.704	53%	0.533	S	S	*	.			trans	-99.5	0	170.9	-83.5	-179.5	-177.2	174.8	0	116.1	R80 D110	R80-K114 VanDerWaalsContact CZ-OXT 3.23Å; R80-K114 PolarHBondContact NH1-O 3Å; R80-K114 PolarHBondContact NH1-OXT 2.93Å; R80-K114 PolarHBondContact NH2-O 3.31Å; D110-K114 VanDerWaalsContact O-CB 3.31Å; D110-K114 WeakPolarHBondContact O-CB 3.44Å; D110-K114 VanDerWaalsContact O-CG 3.29Å; D110-K114 WeakPolarHBondContact O-CG 3.38Å; D110-K114 PolarHBondContact O-N 2.95Å

Retrieved 114 of 114 residues in 59.9 ms (Link to these results)

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