G4LYR7_SCHMA Loading...

Retrovirus-related Pol polyprotein from transposon TNT 1-94

AlphaFold DB , UniProt , Accession G4LYR7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 90 aa.

						>G4LYR7_SCHMA|G4LYR7
MTTKSQLPEYDRSNPELWFAQLEHYFTTHNIKSERIRYRDLCSVLPPSVTKKSRDLILNPSTPQPYTILRREIMNRFLLSDGQGCSEEKH
					

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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	34.7	Very low	66.8	Low	235 Å²	235	113.2 Å²	113.2	100%	1.158	60%	0.601	S	S	*	*				0	87.6	0	-60.3	177.6	-172.8	0	0	107.7	T3	M1-T3 PolarHBondContact O-N 2.89Å; M1-T3 VanDerWaalsContact O-N 3.14Å
2	T	37.3	Very low	68.2	Low	147 Å²	147	119.1 Å²	119.1	90%	0.902	61%	0.609	S	S	*	*			trans	-83.5	89.8	176.9	36.2	0	0	0	0	108.8	K4	T2-K4 PolarHBondContact O-N 3.21Å
3	T	47.7	Very low	69.7	Low	137 Å²	137	116.8 Å²	116.8	84%	0.84	61%	0.61	S	S	*	*			trans	-65.4	95.4	162.9	49.1	0	0	0	0	108.8	M1	M1-T3 PolarHBondContact O-N 2.89Å; M1-T3 VanDerWaalsContact O-N 3.14Å
4	K	53.6	Low	71	Confident	150 Å²	150	114.9 Å²	114.9	65%	0.652	60%	0.601	S	S	*	*			trans	-145.5	107.8	157.2	-172.1	163.9	146.5	69.7	0	106.8	T2 Q6	T2-K4 PolarHBondContact O-N 3.21Å; K4-Q6 HydrophobicContact CG-CG 4.24Å; K4-Q6 PolarHBondContact O-N 3.13Å
5	S	58	Low	72.1	Confident	116 Å²	116	107.4 Å²	107.4	81%	0.811	56%	0.562	S	S	*	*			trans	-64.9	50.7	-175.9	-38.4	0	0	0	0	113.2
6	Q	72.5	Confident	73.2	Confident	120 Å²	120	108.7 Å²	108.7	56%	0.561	56%	0.564	S	S	*	*	S	Bend	trans	-130.6	159.5	-178.4	-64.5	-137.8	-95.5	0	0	109.8	K4	K4-Q6 HydrophobicContact CG-CG 4.24Å; K4-Q6 PolarHBondContact O-N 3.13Å
7	L	83.2	Confident	74.3	Confident	41 Å²	41	108.5 Å²	108.5	22%	0.215	56%	0.563	C	S	.	*			trans	-29.4	132.6	-175.4	-72.5	159.9	0	0	0	113.3	E9 L22 Y25 F26 D40 V44	L7-E9 PolarHBondContact O-N 3.25Å; L7-L22 HydrophobicContact CD2-CD1 3.43Å; L7-L22 VanDerWaalsContact CD2-CD1 3.43Å; L7-Y25 HydrophobicContact CD2-CD1 3.61Å; L7-Y25 HydrophobicContact CD2-CE1 3.41Å; L7-Y25 VanDerWaalsContact CD2-CE1 3.41Å; L7-Y25 HydrophobicContact CD2-CG 4.36Å; L7-Y25 HydrophobicContact CG-CE1 4.05Å; L7-F26 HydrophobicContact CD2-CE1 4.46Å; L7-D40 HydrophobicContact CD1-CB 4.07Å; L7-D40 HydrophobicContact CD2-CB 4.2Å; L7-V44 HydrophobicContact CB-CB 4.43Å; L7-V44 HydrophobicContact CB-CG2 4.28Å; L7-V44 HydrophobicContact CD1-CB 4.43Å
8	P	85.6	Confident	75.3	Confident	29 Å²	29	102.5 Å²	102.5	19%	0.188	53%	0.532	C	S	.	.			trans	-58	135.8	-178.8	25	-33.6	0	0	0	110.5	Y10 W18 Q21 L22 V44	P8-Y10 PolarHBondContact O-N 3.38Å; P8-W18 PolarHBondContact O-NE1 2.91Å; P8-Q21 HydrophobicContact CB-CB 4.46Å; P8-Q21 HydrophobicContact CG-CB 4.36Å; P8-L22 HydrophobicContact CG-CB 4.2Å; P8-L22 HydrophobicContact CG-CD1 4.25Å; P8-V44 VanDerWaalsContact O-CG2 3.31Å; P8-V44 WeakPolarHBondContact O-CG2 3.3Å
9	E	87.2	Confident	76.2	Confident	179 Å²	179	97.1 Å²	97.1	84%	0.836	50%	0.504	S	S	*	.			trans	-59.5	135.8	174.6	-174.4	174	100	0	0	110	L7 D11 W18	L7-E9 PolarHBondContact O-N 3.25Å; E9-D11 PolarHBondContact O-N 3.31Å; E9-D11 VanDerWaalsContact O-N 3.09Å; E9-W18 PolarHBondContact O-NE1 3.45Å
10	Y	87.4	Confident	77	Confident	28 Å²	28	94.3 Å²	94.3	11%	0.11	50%	0.495	C	S	.	.			trans	-62.7	110.8	-176.9	-179	-99.6	0	0	0	112.1	P8 R12 P15 W18 L45 P46 V49	P8-Y10 PolarHBondContact O-N 3.38Å; Y10-R12 HydrophobicContact CD1-CG 3.81Å; Y10-R12 HydrophobicContact CE1-CB 4.46Å; Y10-R12 HydrophobicContact CE1-CG 3.56Å; Y10-R12 PolarHBondContact O-N 2.77Å; Y10-P15 HydrophobicContact CE2-CB 4.3Å; Y10-W18 AromaticContact CD2-CD2 3.62Å; Y10-W18 HydrophobicContact CD2-CD2 3.62Å; Y10-W18 AromaticContact CD2-CE2 3.76Å; Y10-W18 AromaticContact CD2-CE3 3.51Å; Y10-W18 HydrophobicContact CD2-CE3 3.51Å; Y10-W18 HydrophobicContact CD2-CG 4.38Å; Y10-W18 AromaticContact CD2-CH2 3.63Å; Y10-W18 HydrophobicContact CD2-CH2 3.63Å; Y10-W18 AromaticContact CD2-CZ2 3.77Å; Y10-W18 HydrophobicContact CD2-CZ2 3.77Å; Y10-W18 AromaticContact CD2-CZ3 3.5Å; Y10-W18 HydrophobicContact CD2-CZ3 3.5Å; Y10-W18 HydrophobicContact CE2-CD2 4.18Å; Y10-W18 AromaticContact CE2-CE3 3.67Å; Y10-W18 HydrophobicContact CE2-CE3 3.67Å; Y10-W18 HydrophobicContact CE2-CH2 4.26Å; Y10-W18 AromaticContact CE2-CZ3 3.71Å; Y10-W18 HydrophobicContact CE2-CZ3 3.71Å; Y10-L45 HydrophobicContact CD2-CD2 4.05Å; Y10-L45 HydrophobicContact CE2-CD2 4.05Å; Y10-P46 VanDerWaalsContact CD1-CD 3.46Å; Y10-P46 HydrophobicContact CD1-CG 3.41Å; Y10-P46 VanDerWaalsContact CD1-CG 3.41Å; Y10-P46 HydrophobicContact CE1-CG 3.77Å; Y10-P46 HydrophobicContact CG-CG 4.04Å; Y10-V49 HydrophobicContact CE1-CG2 3.63Å; Y10-V49 WeakPolarHBondContact OH-CG2 3.15Å
11	D	87.4	Confident	77.8	Confident	63 Å²	63	94.8 Å²	94.8	34%	0.337	50%	0.495	S	S	.	.			trans	-83.5	113.5	175.1	-168.5	-117.1	0	0	0	110.8	E9 S13 N14 W18	E9-D11 PolarHBondContact O-N 3.31Å; E9-D11 VanDerWaalsContact O-N 3.09Å; D11-S13 VanDerWaalsContact C-N 3.33Å; D11-S13 PolarHBondContact OD1-N 3.34Å; D11-N14 PolarHBondContact OD1-N 2.93Å; D11-W18 HydrophobicContact CB-CB 4.06Å
12	R	83.6	Confident	80.5	Confident	184 Å²	184	83.6 Å²	83.6	69%	0.694	44%	0.44	S	S	*	.	S	Bend	trans	-75.3	-24.1	178	-79.1	-179.5	-70.1	178.3	-0.6	113	Y10	Y10-R12 HydrophobicContact CD1-CG 3.81Å; Y10-R12 HydrophobicContact CE1-CB 4.46Å; Y10-R12 HydrophobicContact CE1-CG 3.56Å; Y10-R12 PolarHBondContact O-N 2.77Å
13	S	87.3	Confident	83.2	Confident	89 Å²	89	79.5 Å²	79.5	62%	0.622	41%	0.411	S	S	*	.	S	Bend	trans	-75.8	-39.4	-177.4	-66.5	0	0	0	0	111.5	D11	D11-S13 VanDerWaalsContact C-N 3.33Å; D11-S13 PolarHBondContact OD1-N 3.34Å
14	N	87.9	Confident	85.3	Confident	91 Å²	91	79.4 Å²	79.4	49%	0.487	40%	0.4	S	S	.	.			trans	-138.7	72.7	-178.8	-60.2	-82.5	0	0	0	110.7	D11 E16 L17 W18	D11-N14 PolarHBondContact OD1-N 2.93Å; N14-E16 PolarHBondContact O-N 2.98Å; N14-L17 HydrophobicContact CB-CB 3.95Å; N14-L17 PolarHBondContact O-N 3.32Å; N14-L17 VanDerWaalsContact O-N 3.15Å; N14-W18 PolarHBondContact O-N 2.97Å
15	P	88.5	Confident	87.1	Confident	2 Å²	2	74.3 Å²	74.3	1%	0.013	38%	0.378	C	S	.	.	H	α-helix	trans	-63.8	-27.1	-179.9	25.5	-33.2	0	0	0	112.7	Y10 W18 F19 F77	Y10-P15 HydrophobicContact CE2-CB 4.3Å; P15-W18 PolarHBondContact O-N 3.19Å; P15-F19 WeakPolarHBondContact O-CB 3.29Å; P15-F19 WeakPolarHBondContact O-CD2 3.48Å; P15-F19 PolarHBondContact O-N 3.17Å; P15-F77 HydrophobicContact CG-CB 4.09Å; P15-F77 HydrophobicContact CG-CD1 3.27Å; P15-F77 HydrophobicContact CG-CD2 3.39Å; P15-F77 HydrophobicContact CG-CE1 3.36Å; P15-F77 HydrophobicContact CG-CE2 3.46Å; P15-F77 VanDerWaalsContact CG-CE2 3.46Å; P15-F77 HydrophobicContact CG-CG 3.27Å; P15-F77 HydrophobicContact CG-CZ 3.45Å; P15-F77 VanDerWaalsContact CG-CZ 3.45Å
16	E	90	Very high	88.7	Confident	128 Å²	128	68.8 Å²	68.8	60%	0.598	34%	0.339	S	S	*	.	H	α-helix	trans	-59.8	-49.9	172.7	-176.8	177.4	93.3	0	0	111.3	N14 W18 F19 A20 M74	N14-E16 PolarHBondContact O-N 2.98Å; E16-W18 VanDerWaalsContact C-N 3.34Å; E16-W18 PolarHBondContact O-N 2.79Å; E16-F19 PolarHBondContact O-N 2.92Å; E16-A20 PolarHBondContact O-N 3.14Å; E16-M74 HydrophobicContact CB-CE 4.45Å; E16-M74 HydrophobicContact CG-CE 4.09Å
17	L	90.6	Very high	89.7	Confident	105 Å²	105	68.1 Å²	68.1	55%	0.55	34%	0.343	S	S	.	.	H	α-helix	trans	-63.2	-42.2	176.4	-179.4	61.7	0	0	0	111.2	N14 F19 A20 Q21	N14-L17 HydrophobicContact CB-CB 3.95Å; N14-L17 PolarHBondContact O-N 3.32Å; N14-L17 VanDerWaalsContact O-N 3.15Å; L17-F19 VanDerWaalsContact C-N 3.34Å; L17-F19 PolarHBondContact O-N 2.97Å; L17-A20 WeakPolarHBondContact O-CB 3.47Å; L17-A20 PolarHBondContact O-N 3.27Å; L17-A20 VanDerWaalsContact O-N 3.15Å; L17-Q21 PolarHBondContact O-N 3.45Å
18	W	92.2	Very high	90	Very high	1 Å²	1	71.6 Å²	71.6	0%	0.004	37%	0.366	C	S	.	.	H	α-helix	trans	-60.3	-42.3	175.8	174.6	78.1	0	0	0	112.5	P8 E9 Y10 D11 N14 P15 E16 A20 Q21 L22 L41 V44 L45	P8-W18 PolarHBondContact O-NE1 2.91Å; E9-W18 PolarHBondContact O-NE1 3.45Å; Y10-W18 AromaticContact CD2-CD2 3.62Å; Y10-W18 HydrophobicContact CD2-CD2 3.62Å; Y10-W18 AromaticContact CD2-CE2 3.76Å; Y10-W18 AromaticContact CD2-CE3 3.51Å; Y10-W18 HydrophobicContact CD2-CE3 3.51Å; Y10-W18 HydrophobicContact CD2-CG 4.38Å; Y10-W18 AromaticContact CD2-CH2 3.63Å; Y10-W18 HydrophobicContact CD2-CH2 3.63Å; Y10-W18 AromaticContact CD2-CZ2 3.77Å; Y10-W18 HydrophobicContact CD2-CZ2 3.77Å; Y10-W18 AromaticContact CD2-CZ3 3.5Å; Y10-W18 HydrophobicContact CD2-CZ3 3.5Å; Y10-W18 HydrophobicContact CE2-CD2 4.18Å; Y10-W18 AromaticContact CE2-CE3 3.67Å; Y10-W18 HydrophobicContact CE2-CE3 3.67Å; Y10-W18 HydrophobicContact CE2-CH2 4.26Å; Y10-W18 AromaticContact CE2-CZ3 3.71Å; Y10-W18 HydrophobicContact CE2-CZ3 3.71Å; D11-W18 HydrophobicContact CB-CB 4.06Å; N14-W18 PolarHBondContact O-N 2.97Å; P15-W18 PolarHBondContact O-N 3.19Å; E16-W18 VanDerWaalsContact C-N 3.34Å; E16-W18 PolarHBondContact O-N 2.79Å; W18-A20 VanDerWaalsContact C-N 3.31Å; W18-A20 PolarHBondContact O-N 3.13Å; W18-Q21 WeakPolarHBondContact O-CB 3.37Å; W18-Q21 PolarHBondContact O-N 2.89Å; W18-L22 HydrophobicContact CH2-CD2 3.8Å; W18-L22 HydrophobicContact CZ2-CD2 4.19Å; W18-L22 HydrophobicContact CZ3-CD2 4.14Å; W18-L22 WeakPolarHBondContact O-CB 3.17Å; W18-L22 PolarHBondContact O-N 2.89Å; W18-L41 HydrophobicContact CH2-CD1 3.59Å; W18-L41 HydrophobicContact CZ3-CD1 3.97Å; W18-V44 HydrophobicContact CH2-CG1 3.79Å; W18-V44 HydrophobicContact CZ2-CB 4.44Å; W18-V44 HydrophobicContact CZ2-CG1 3.55Å; W18-V44 HydrophobicContact CZ2-CG2 4.01Å; W18-L45 HydrophobicContact CH2-CD2 4.06Å; W18-L45 HydrophobicContact CZ3-CD2 4.29Å
19	F	92.9	Very high	90.3	Very high	0 Å²	0	75 Å²	75	0%	0	38%	0.379	C	S	.	.	H	α-helix	trans	-61.8	-40.2	174.3	-85.8	-63.3	0	0	0	111.5	P15 E16 L17 Q21 L22 E23 L41 R70 I73 M74	P15-F19 WeakPolarHBondContact O-CB 3.29Å; P15-F19 WeakPolarHBondContact O-CD2 3.48Å; P15-F19 PolarHBondContact O-N 3.17Å; E16-F19 PolarHBondContact O-N 2.92Å; L17-F19 VanDerWaalsContact C-N 3.34Å; L17-F19 PolarHBondContact O-N 2.97Å; F19-Q21 VanDerWaalsContact C-N 3.32Å; F19-Q21 PolarHBondContact O-N 2.96Å; F19-L22 HydrophobicContact CD1-CD2 4.25Å; F19-L22 WeakPolarHBondContact O-CB 3.45Å; F19-L22 PolarHBondContact O-N 3.32Å; F19-E23 WeakPolarHBondContact O-CG 3.37Å; F19-E23 PolarHBondContact O-N 2.76Å; F19-L41 HydrophobicContact CE1-CD1 3.89Å; F19-L41 HydrophobicContact CE1-CD2 4.32Å; F19-L41 HydrophobicContact CZ-CD1 4.5Å; F19-R70 HydrophobicContact CD1-CG 3.85Å; F19-R70 HydrophobicContact CE1-CB 4.1Å; F19-R70 HydrophobicContact CE1-CG 3.79Å; F19-R70 HydrophobicContact CG-CG 4.26Å; F19-R70 HydrophobicContact CZ-CB 4.48Å; F19-R70 HydrophobicContact CZ-CG 4.15Å; F19-I73 HydrophobicContact CE2-CB 4.22Å; F19-I73 HydrophobicContact CE2-CG2 3.74Å; F19-I73 HydrophobicContact CZ-CB 3.96Å; F19-I73 HydrophobicContact CZ-CD1 4.16Å; F19-I73 HydrophobicContact CZ-CG2 3.76Å; F19-M74 HydrophobicContact CD2-CG 3.79Å; F19-M74 HydrophobicContact CD2-SD 4.27Å; F19-M74 HydrophobicContact CE2-CG 3.8Å
20	A	92.4	Very high	90.5	Very high	40 Å²	40	72.1 Å²	72.1	33%	0.331	37%	0.37	S	S	.	.	H	α-helix	trans	-61.9	-39.5	175.7	0	0	0	0	0	112.3	E16 L17 W18 E23 H24	E16-A20 PolarHBondContact O-N 3.14Å; L17-A20 WeakPolarHBondContact O-CB 3.47Å; L17-A20 PolarHBondContact O-N 3.27Å; L17-A20 VanDerWaalsContact O-N 3.15Å; W18-A20 VanDerWaalsContact C-N 3.31Å; W18-A20 PolarHBondContact O-N 3.13Å; A20-E23 PolarHBondContact O-N 3.42Å; A20-H24 PolarHBondContact O-N 3.23Å; A20-H24 VanDerWaalsContact O-N 3.14Å; A20-H24 PolarHBondContact O-ND1 2.72Å
21	Q	92.9	Very high	90.8	Very high	105 Å²	105	71.9 Å²	71.9	49%	0.491	37%	0.37	S	S	.	.	H	α-helix	trans	-64.9	-42.1	172.9	-68.2	178.5	-45.2	0	0	111.8	P8 L17 W18 F19 E23 H24 Y25	P8-Q21 HydrophobicContact CB-CB 4.46Å; P8-Q21 HydrophobicContact CG-CB 4.36Å; L17-Q21 PolarHBondContact O-N 3.45Å; W18-Q21 WeakPolarHBondContact O-CB 3.37Å; W18-Q21 PolarHBondContact O-N 2.89Å; F19-Q21 VanDerWaalsContact C-N 3.32Å; F19-Q21 PolarHBondContact O-N 2.96Å; Q21-E23 VanDerWaalsContact C-N 3.32Å; Q21-E23 PolarHBondContact O-N 2.84Å; Q21-H24 WeakPolarHBondContact O-CB 3.48Å; Q21-H24 PolarHBondContact O-N 2.83Å; Q21-Y25 PolarHBondContact O-N 3.19Å
22	L	92.9	Very high	90.9	Very high	0 Å²	0	76.3 Å²	76.3	0%	0	39%	0.386	C	S	.	.	H	α-helix	trans	-62.4	-38.5	176.6	-177.3	65.7	0	0	0	111.9	L7 P8 W18 F19 Y25 F26 L41 Y66	L7-L22 HydrophobicContact CD2-CD1 3.43Å; L7-L22 VanDerWaalsContact CD2-CD1 3.43Å; P8-L22 HydrophobicContact CG-CB 4.2Å; P8-L22 HydrophobicContact CG-CD1 4.25Å; W18-L22 HydrophobicContact CH2-CD2 3.8Å; W18-L22 HydrophobicContact CZ2-CD2 4.19Å; W18-L22 HydrophobicContact CZ3-CD2 4.14Å; W18-L22 WeakPolarHBondContact O-CB 3.17Å; W18-L22 PolarHBondContact O-N 2.89Å; F19-L22 HydrophobicContact CD1-CD2 4.25Å; F19-L22 WeakPolarHBondContact O-CB 3.45Å; F19-L22 PolarHBondContact O-N 3.32Å; L22-Y25 WeakPolarHBondContact O-CB 3.47Å; L22-Y25 PolarHBondContact O-N 2.89Å; L22-F26 HydrophobicContact CD1-CE1 4.19Å; L22-F26 HydrophobicContact CD1-CE2 4.05Å; L22-F26 HydrophobicContact CD1-CZ 3.72Å; L22-F26 HydrophobicContact CD2-CE2 3.93Å; L22-F26 HydrophobicContact CD2-CZ 4.07Å; L22-F26 HydrophobicContact CG-CD2 4.26Å; L22-F26 HydrophobicContact CG-CE2 3.56Å; L22-F26 HydrophobicContact CG-CZ 3.76Å; L22-F26 WeakPolarHBondContact O-CD2 3.4Å; L22-F26 WeakPolarHBondContact O-CG 3.37Å; L22-F26 PolarHBondContact O-N 3.22Å; L22-L41 HydrophobicContact CD2-CD1 3.88Å; L22-Y66 HydrophobicContact CD2-CE2 4.49Å
23	E	92.5	Very high	91.3	Very high	62 Å²	62	70.6 Å²	70.6	29%	0.29	38%	0.375	S	S	.	.	H	α-helix	trans	-66.5	-37.2	174.7	-70.6	-156.6	107.2	0	0	113	F19 A20 Q21 Y25 F26 T27 R70	F19-E23 WeakPolarHBondContact O-CG 3.37Å; F19-E23 PolarHBondContact O-N 2.76Å; A20-E23 PolarHBondContact O-N 3.42Å; Q21-E23 VanDerWaalsContact C-N 3.32Å; Q21-E23 PolarHBondContact O-N 2.84Å; E23-Y25 VanDerWaalsContact C-N 3.32Å; E23-F26 PolarHBondContact O-N 3Å; E23-T27 WeakPolarHBondContact O-CB 3.42Å; E23-T27 PolarHBondContact O-N 3.44Å; E23-T27 PolarHBondContact O-OG1 2.92Å; E23-R70 IonicContact OE1-CZ 2.87Å; E23-R70 IonicContact OE1-NH1 2.83Å; E23-R70 PolarHBondContact OE1-NH1 3.13Å; E23-R70 IonicContact OE2-CZ 3.5Å; E23-R70 IonicContact OE2-NH1 2.84Å; E23-R70 PolarHBondContact OE2-NH1 3.2Å; E23-R70 IonicContact OE2-NH2 2.76Å; E23-R70 PolarHBondContact OE2-NH2 2.99Å
24	H	91.9	Very high	91.5	Very high	134 Å²	134	67.9 Å²	67.9	62%	0.62	35%	0.352	S	S	*	.	H	α-helix	trans	-64.1	-39.4	172.3	-82	72.1	0	0	0	111.6	A20 Q21 T27 T28	A20-H24 PolarHBondContact O-N 3.23Å; A20-H24 VanDerWaalsContact O-N 3.14Å; A20-H24 PolarHBondContact O-ND1 2.72Å; Q21-H24 WeakPolarHBondContact O-CB 3.48Å; Q21-H24 PolarHBondContact O-N 2.83Å; H24-T27 PolarHBondContact O-N 3.15Å; H24-T28 WeakPolarHBondContact O-CB 3.45Å; H24-T28 PolarHBondContact O-N 3.46Å; H24-T28 PolarHBondContact O-OG1 3Å
25	Y	91.6	Very high	91.7	Very high	44 Å²	44	73.7 Å²	73.7	17%	0.173	37%	0.367	C	S	.	.	H	α-helix	trans	-59.2	-50.1	172.5	170.5	-91.1	0	0	0	110.9	L7 Q21 L22 E23 T27 T28 H29 I31	L7-Y25 HydrophobicContact CD2-CD1 3.61Å; L7-Y25 HydrophobicContact CD2-CE1 3.41Å; L7-Y25 VanDerWaalsContact CD2-CE1 3.41Å; L7-Y25 HydrophobicContact CD2-CG 4.36Å; L7-Y25 HydrophobicContact CG-CE1 4.05Å; Q21-Y25 PolarHBondContact O-N 3.19Å; L22-Y25 WeakPolarHBondContact O-CB 3.47Å; L22-Y25 PolarHBondContact O-N 2.89Å; E23-Y25 VanDerWaalsContact C-N 3.32Å; Y25-T27 VanDerWaalsContact C-N 3.29Å; Y25-T27 PolarHBondContact O-N 3.45Å; Y25-T28 PolarHBondContact O-N 3.14Å; Y25-H29 AromaticContact CD2-CD2 3.45Å; Y25-H29 VanDerWaalsContact CD2-CD2 3.45Å; Y25-H29 WeakPolarHBondContact CD2-CD2 3.47Å; Y25-H29 AromaticContact CD2-NE2 3.59Å; Y25-H29 AromaticContact CE2-CD2 3.29Å; Y25-H29 WeakPolarHBondContact CE2-CD2 3.4Å; Y25-H29 AromaticContact CE2-CE1 3.89Å; Y25-H29 AromaticContact CE2-NE2 3.17Å; Y25-H29 WeakPolarHBondContact CE2-NE2 3.34Å; Y25-H29 AromaticContact CZ-CD2 3.72Å; Y25-H29 AromaticContact CZ-NE2 3.88Å; Y25-H29 PolarHBondContact O-CD2 3.49Å; Y25-H29 VanDerWaalsContact O-CD2 3.25Å; Y25-H29 PolarHBondContact O-N 3.44Å; Y25-I31 HydrophobicContact CE1-CD1 3.99Å
26	F	93.2	Very high	91.9	Very high	0 Å²	0	76.2 Å²	76.2	0%	0	38%	0.38	C	S	.	.	H	α-helix	trans	-60	-40.2	178	-65.3	-39	0	0	0	112.7	L7 L22 E23 H29 N30 I31 R37 D40 Y66	L7-F26 HydrophobicContact CD2-CE1 4.46Å; L22-F26 HydrophobicContact CD1-CE1 4.19Å; L22-F26 HydrophobicContact CD1-CE2 4.05Å; L22-F26 HydrophobicContact CD1-CZ 3.72Å; L22-F26 HydrophobicContact CD2-CE2 3.93Å; L22-F26 HydrophobicContact CD2-CZ 4.07Å; L22-F26 HydrophobicContact CG-CD2 4.26Å; L22-F26 HydrophobicContact CG-CE2 3.56Å; L22-F26 HydrophobicContact CG-CZ 3.76Å; L22-F26 WeakPolarHBondContact O-CD2 3.4Å; L22-F26 WeakPolarHBondContact O-CG 3.37Å; L22-F26 PolarHBondContact O-N 3.22Å; E23-F26 PolarHBondContact O-N 3Å; F26-H29 PolarHBondContact O-N 3.4Å; F26-N30 PolarHBondContact O-N 3.15Å; F26-N30 VanDerWaalsContact O-N 3.13Å; F26-I31 HydrophobicContact CB-CB 4.08Å; F26-I31 HydrophobicContact CD1-CB 3.98Å; F26-I31 HydrophobicContact CD1-CD1 3.83Å; F26-I31 HydrophobicContact CD1-CG1 4.5Å; F26-I31 HydrophobicContact CD1-CG2 3.93Å; F26-I31 HydrophobicContact CE1-CD1 4.43Å; F26-I31 HydrophobicContact CG-CB 4.39Å; F26-I31 HydrophobicContact CG-CG2 4.44Å; F26-I31 PolarHBondContact O-N 3.28Å; F26-R37 HydrophobicContact CD1-CG 4.13Å; F26-R37 HydrophobicContact CD2-CB 4.3Å; F26-R37 HydrophobicContact CD2-CG 3.82Å; F26-R37 HydrophobicContact CE1-CB 4.32Å; F26-R37 HydrophobicContact CE1-CG 4.22Å; F26-R37 HydrophobicContact CE2-CB 3.86Å; F26-R37 HydrophobicContact CE2-CG 3.91Å; F26-R37 HydrophobicContact CG-CG 3.95Å; F26-R37 HydrophobicContact CZ-CB 3.88Å; F26-R37 HydrophobicContact CZ-CG 4.11Å; F26-D40 HydrophobicContact CE1-CB 3.93Å; F26-D40 HydrophobicContact CZ-CB 4.3Å; F26-Y66 HydrophobicContact CD2-CE2 4.5Å; F26-Y66 HydrophobicContact CE2-CD2 4.36Å; F26-Y66 AromaticContact CE2-CE2 3.56Å; F26-Y66 HydrophobicContact CE2-CE2 3.56Å; F26-Y66 AromaticContact CE2-CZ 3.7Å; F26-Y66 HydrophobicContact CZ-CE2 4.24Å
27	T	91.6	Very high	92.1	Very high	106 Å²	106	72.5 Å²	72.5	65%	0.65	36%	0.361	S	S	*	.	H	α-helix	trans	-63.3	-46.3	176.8	-59.5	0	0	0	0	111.5	E23 H24 Y25 H29 N30	E23-T27 WeakPolarHBondContact O-CB 3.42Å; E23-T27 PolarHBondContact O-N 3.44Å; E23-T27 PolarHBondContact O-OG1 2.92Å; H24-T27 PolarHBondContact O-N 3.15Å; Y25-T27 VanDerWaalsContact C-N 3.29Å; Y25-T27 PolarHBondContact O-N 3.45Å; T27-H29 VanDerWaalsContact C-N 3.3Å; T27-H29 PolarHBondContact O-N 3.02Å; T27-N30 PolarHBondContact O-N 3.46Å; T27-N30 VanDerWaalsContact O-N 3.13Å
28	T	91.4	Very high	92.2	Very high	114 Å²	114	69 Å²	69	70%	0.699	34%	0.341	S	S	*	.	H	α-helix	trans	-62.4	-37.6	179.8	-57	0	0	0	0	111.8	H24 Y25 N30	H24-T28 WeakPolarHBondContact O-CB 3.45Å; H24-T28 PolarHBondContact O-N 3.46Å; H24-T28 PolarHBondContact O-OG1 3Å; Y25-T28 PolarHBondContact O-N 3.14Å; T28-N30 VanDerWaalsContact C-N 3.34Å
29	H	90.5	Very high	92.2	Very high	100 Å²	100	75.4 Å²	75.4	46%	0.463	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.5	8.2	178.9	-72.9	-94.1	0	0	0	113.9	Y25 F26 T27 I31	Y25-H29 AromaticContact CD2-CD2 3.45Å; Y25-H29 VanDerWaalsContact CD2-CD2 3.45Å; Y25-H29 WeakPolarHBondContact CD2-CD2 3.47Å; Y25-H29 AromaticContact CD2-NE2 3.59Å; Y25-H29 AromaticContact CE2-CD2 3.29Å; Y25-H29 WeakPolarHBondContact CE2-CD2 3.4Å; Y25-H29 AromaticContact CE2-CE1 3.89Å; Y25-H29 AromaticContact CE2-NE2 3.17Å; Y25-H29 WeakPolarHBondContact CE2-NE2 3.34Å; Y25-H29 AromaticContact CZ-CD2 3.72Å; Y25-H29 AromaticContact CZ-NE2 3.88Å; Y25-H29 PolarHBondContact O-CD2 3.49Å; Y25-H29 VanDerWaalsContact O-CD2 3.25Å; Y25-H29 PolarHBondContact O-N 3.44Å; F26-H29 PolarHBondContact O-N 3.4Å; T27-H29 VanDerWaalsContact C-N 3.3Å; T27-H29 PolarHBondContact O-N 3.02Å; H29-I31 HydrophobicContact CB-CD1 3.72Å; H29-I31 HydrophobicContact CB-CG1 3.86Å; H29-I31 PolarHBondContact O-N 2.84Å
30	N	92.7	Very high	92.1	Very high	119 Å²	119	76.3 Å²	76.3	64%	0.636	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.8	32.4	-176.5	-148.2	-47.4	0	0	0	113.7	F26 T27 T28 K32	F26-N30 PolarHBondContact O-N 3.15Å; F26-N30 VanDerWaalsContact O-N 3.13Å; T27-N30 PolarHBondContact O-N 3.46Å; T27-N30 VanDerWaalsContact O-N 3.13Å; T28-N30 VanDerWaalsContact C-N 3.34Å; N30-K32 PolarHBondContact O-N 3.05Å; N30-K32 VanDerWaalsContact OD1-CE 3.3Å; N30-K32 WeakPolarHBondContact OD1-CE 3.45Å
31	I	92.5	Very high	92.1	Very high	22 Å²	22	74.4 Å²	74.4	11%	0.113	35%	0.353	C	S	.	.			trans	-83.1	97.9	178.8	-61.6	169.9	0	0	0	108.2	Y25 F26 H29 I36 R37	Y25-I31 HydrophobicContact CE1-CD1 3.99Å; F26-I31 HydrophobicContact CB-CB 4.08Å; F26-I31 HydrophobicContact CD1-CB 3.98Å; F26-I31 HydrophobicContact CD1-CD1 3.83Å; F26-I31 HydrophobicContact CD1-CG1 4.5Å; F26-I31 HydrophobicContact CD1-CG2 3.93Å; F26-I31 HydrophobicContact CE1-CD1 4.43Å; F26-I31 HydrophobicContact CG-CB 4.39Å; F26-I31 HydrophobicContact CG-CG2 4.44Å; F26-I31 PolarHBondContact O-N 3.28Å; H29-I31 HydrophobicContact CB-CD1 3.72Å; H29-I31 HydrophobicContact CB-CG1 3.86Å; H29-I31 PolarHBondContact O-N 2.84Å; I31-I36 HydrophobicContact CD1-CG2 4.33Å; I31-I36 HydrophobicContact CG1-CG2 4.31Å; I31-I36 HydrophobicContact CG2-CB 3.84Å; I31-I36 HydrophobicContact CG2-CG2 3.46Å; I31-I36 VanDerWaalsContact CG2-CG2 3.46Å; I31-R37 HydrophobicContact CG2-CG 3.63Å; I31-R37 PolarHBondContact O-NE 3.08Å; I31-R37 PolarHBondContact O-NH2 3.03Å
32	K	89.8	Confident	92.1	Very high	156 Å²	156	71.1 Å²	71.1	68%	0.678	34%	0.342	S	S	*	.			trans	-100.9	-20.5	176.1	-59.9	-175.8	-178.5	-178.7	0	113.3	N30 E34	N30-K32 PolarHBondContact O-N 3.05Å; N30-K32 VanDerWaalsContact OD1-CE 3.3Å; N30-K32 WeakPolarHBondContact OD1-CE 3.45Å; K32-E34 PolarHBondContact O-N 3.24Å
33	S	91.8	Very high	91.9	Very high	65 Å²	65	75.6 Å²	75.6	46%	0.455	37%	0.373	S	S	.	.			trans	-73.9	116.5	-176.4	-57.1	0	0	0	0	111.2	R35 I36 R37	S33-R35 PolarHBondContact O-N 3.4Å; S33-R35 VanDerWaalsContact O-N 3.14Å; S33-I36 WeakPolarHBondContact O-CB 3.46Å; S33-I36 PolarHBondContact O-N 3.48Å; S33-R37 PolarHBondContact O-N 2.76Å
34	E	92.2	Very high	91.8	Very high	32 Å²	32	74 Å²	74	15%	0.15	37%	0.368	C	S	.	.	H	α-helix	trans	-51.4	-37.7	174.7	-77.3	-69.3	93.9	0	0	112.4	K32 I36 R37 Y38 P65 Y66 T67	K32-E34 PolarHBondContact O-N 3.24Å; E34-I36 VanDerWaalsContact C-N 3.34Å; E34-I36 PolarHBondContact O-N 3.35Å; E34-R37 PolarHBondContact O-N 2.93Å; E34-R37 IonicContact OE1-NH1 3.13Å; E34-Y38 WeakPolarHBondContact O-CB 3.46Å; E34-Y38 PolarHBondContact O-N 3.38Å; E34-P65 HydrophobicContact CB-CG 4.43Å; E34-Y66 WeakPolarHBondContact OE1-CD1 3.33Å; E34-Y66 WeakPolarHBondContact OE2-CB 3.25Å; E34-Y66 PolarHBondContact OE2-N 3.42Å; E34-T67 WeakPolarHBondContact OE2-CB 3.47Å; E34-T67 PolarHBondContact OE2-N 2.82Å; E34-T67 PolarHBondContact OE2-OG1 3.27Å
35	R	91.4	Very high	91.8	Very high	212 Å²	212	68.3 Å²	68.3	80%	0.8	34%	0.342	S	S	*	.	H	α-helix	trans	-62.4	-39.7	176.4	-66.8	-170.9	-179.6	-168.6	0.8	113	S33 R39	S33-R35 PolarHBondContact O-N 3.4Å; S33-R35 VanDerWaalsContact O-N 3.14Å; R35-R39 WeakPolarHBondContact O-CB 3.49Å; R35-R39 PolarHBondContact O-N 2.91Å
36	I	92.6	Very high	91.7	Very high	55 Å²	55	67.7 Å²	67.7	28%	0.282	34%	0.343	S	S	.	.	H	α-helix	trans	-71	-48.7	179.2	-63.3	179.4	0	0	0	109	I31 S33 E34 Y38 R39 D40	I31-I36 HydrophobicContact CD1-CG2 4.33Å; I31-I36 HydrophobicContact CG1-CG2 4.31Å; I31-I36 HydrophobicContact CG2-CB 3.84Å; I31-I36 HydrophobicContact CG2-CG2 3.46Å; I31-I36 VanDerWaalsContact CG2-CG2 3.46Å; S33-I36 WeakPolarHBondContact O-CB 3.46Å; S33-I36 PolarHBondContact O-N 3.48Å; E34-I36 VanDerWaalsContact C-N 3.34Å; E34-I36 PolarHBondContact O-N 3.35Å; I36-Y38 VanDerWaalsContact C-N 3.28Å; I36-Y38 PolarHBondContact O-N 3.14Å; I36-R39 PolarHBondContact O-N 3.46Å; I36-D40 WeakPolarHBondContact CG2-OD2 3.14Å; I36-D40 PolarHBondContact O-N 3.07Å
37	R	93.7	Very high	91.6	Very high	50 Å²	50	72.2 Å²	72.2	19%	0.189	37%	0.373	C	S	.	.	H	α-helix	trans	-56.9	-43	176.2	-62.5	-177.7	177.2	176.8	-9.6	112.2	F26 I31 S33 E34 D40 L41 Y66	F26-R37 HydrophobicContact CD1-CG 4.13Å; F26-R37 HydrophobicContact CD2-CB 4.3Å; F26-R37 HydrophobicContact CD2-CG 3.82Å; F26-R37 HydrophobicContact CE1-CB 4.32Å; F26-R37 HydrophobicContact CE1-CG 4.22Å; F26-R37 HydrophobicContact CE2-CB 3.86Å; F26-R37 HydrophobicContact CE2-CG 3.91Å; F26-R37 HydrophobicContact CG-CG 3.95Å; F26-R37 HydrophobicContact CZ-CB 3.88Å; F26-R37 HydrophobicContact CZ-CG 4.11Å; I31-R37 HydrophobicContact CG2-CG 3.63Å; I31-R37 PolarHBondContact O-NE 3.08Å; I31-R37 PolarHBondContact O-NH2 3.03Å; S33-R37 PolarHBondContact O-N 2.76Å; E34-R37 PolarHBondContact O-N 2.93Å; E34-R37 IonicContact OE1-NH1 3.13Å; R37-D40 PolarHBondContact O-N 3.48Å; R37-L41 WeakPolarHBondContact O-CB 3.4Å; R37-L41 PolarHBondContact O-N 3.26Å; R37-Y66 HydrophobicContact CB-CD1 4Å; R37-Y66 HydrophobicContact CB-CD2 3.52Å; R37-Y66 HydrophobicContact CB-CE1 4.49Å; R37-Y66 HydrophobicContact CB-CE2 4.06Å; R37-Y66 HydrophobicContact CB-CG 3.48Å; R37-Y66 VanDerWaalsContact CB-CG 3.48Å; R37-Y66 HydrophobicContact CG-CG 4.49Å
38	Y	93.1	Very high	91.5	Very high	33 Å²	33	70 Å²	70	13%	0.129	36%	0.362	C	S	.	.	H	α-helix	trans	-62.4	-48	177.4	174.1	-97.9	0	0	0	111.4	E34 I36 L41 C42 L56 I57 P60 P65 L69	E34-Y38 WeakPolarHBondContact O-CB 3.46Å; E34-Y38 PolarHBondContact O-N 3.38Å; I36-Y38 VanDerWaalsContact C-N 3.28Å; I36-Y38 PolarHBondContact O-N 3.14Å; Y38-L41 PolarHBondContact O-N 3.26Å; Y38-C42 WeakPolarHBondContact O-CB 3.22Å; Y38-C42 PolarHBondContact O-N 3.04Å; Y38-C42 PolarHBondContact O-SG 3.41Å; Y38-L56 PolarHBondContact OH-O 3.45Å; Y38-I57 VanDerWaalsContact OH-CA 3.24Å; Y38-I57 WeakPolarHBondContact OH-CA 3.16Å; Y38-I57 PolarHBondContact OH-O 3.23Å; Y38-P60 HydrophobicContact CE1-CB 4.34Å; Y38-P60 HydrophobicContact CE2-CB 4.41Å; Y38-P65 HydrophobicContact CD2-CB 3.69Å; Y38-P65 HydrophobicContact CD2-CG 4.48Å; Y38-P65 HydrophobicContact CE2-CB 4.12Å; Y38-P65 HydrophobicContact CG-CB 3.9Å; Y38-P65 HydrophobicContact CG-CG 4.24Å; Y38-L69 HydrophobicContact CD2-CB 4.32Å; Y38-L69 HydrophobicContact CD2-CD2 3.75Å; Y38-L69 HydrophobicContact CE2-CB 4.33Å; Y38-L69 HydrophobicContact CE2-CD2 3.58Å
39	R	92.1	Very high	91.3	Very high	135 Å²	135	65.4 Å²	65.4	51%	0.509	33%	0.333	S	S	.	.	H	α-helix	trans	-59.3	-49.7	177.1	-176	-162.3	67.7	-137.5	-3.9	111.1	R35 I36 L41 C42 S43	R35-R39 WeakPolarHBondContact O-CB 3.49Å; R35-R39 PolarHBondContact O-N 2.91Å; I36-R39 PolarHBondContact O-N 3.46Å; R39-L41 VanDerWaalsContact C-N 3.34Å; R39-L41 PolarHBondContact O-N 3.49Å; R39-C42 PolarHBondContact O-N 2.76Å; R39-S43 PolarHBondContact O-N 3.09Å; R39-S43 PolarHBondContact O-OG 3.06Å
40	D	92.4	Very high	91.3	Very high	18 Å²	18	62.7 Å²	62.7	10%	0.096	32%	0.323	C	S	.	.	H	α-helix	trans	-64.7	-39.7	-178.7	-66.5	-27.6	0	0	0	111.3	L7 F26 I36 R37 S43 V44	L7-D40 HydrophobicContact CD1-CB 4.07Å; L7-D40 HydrophobicContact CD2-CB 4.2Å; F26-D40 HydrophobicContact CE1-CB 3.93Å; F26-D40 HydrophobicContact CZ-CB 4.3Å; I36-D40 WeakPolarHBondContact CG2-OD2 3.14Å; I36-D40 PolarHBondContact O-N 3.07Å; R37-D40 PolarHBondContact O-N 3.48Å; D40-S43 PolarHBondContact O-N 3.39Å; D40-V44 WeakPolarHBondContact O-CG1 3.3Å; D40-V44 PolarHBondContact O-N 2.85Å
41	L	92.2	Very high	91.2	Very high	0 Å²	0	64.8 Å²	64.8	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-59	-51.6	172.7	176.6	57.9	0	0	0	111.1	W18 F19 L22 R37 Y38 R39 S43 V44 L45 Y66 L69 I73	W18-L41 HydrophobicContact CH2-CD1 3.59Å; W18-L41 HydrophobicContact CZ3-CD1 3.97Å; F19-L41 HydrophobicContact CE1-CD1 3.89Å; F19-L41 HydrophobicContact CE1-CD2 4.32Å; F19-L41 HydrophobicContact CZ-CD1 4.5Å; L22-L41 HydrophobicContact CD2-CD1 3.88Å; R37-L41 WeakPolarHBondContact O-CB 3.4Å; R37-L41 PolarHBondContact O-N 3.26Å; Y38-L41 PolarHBondContact O-N 3.26Å; R39-L41 VanDerWaalsContact C-N 3.34Å; R39-L41 PolarHBondContact O-N 3.49Å; L41-S43 PolarHBondContact O-N 2.9Å; L41-V44 VanDerWaalsContact O-CG1 3.28Å; L41-V44 WeakPolarHBondContact O-CG1 3.31Å; L41-V44 PolarHBondContact O-N 3.3Å; L41-V44 VanDerWaalsContact O-N 3.13Å; L41-L45 HydrophobicContact CD1-CD1 3.97Å; L41-L45 HydrophobicContact CD1-CD2 3.93Å; L41-L45 HydrophobicContact CD1-CG 3.81Å; L41-L45 HydrophobicContact CG-CD1 3.93Å; L41-L45 HydrophobicContact CG-CG 4.24Å; L41-L45 VanDerWaalsContact O-CG 3.26Å; L41-L45 WeakPolarHBondContact O-CG 3.33Å; L41-L45 PolarHBondContact O-N 2.91Å; L41-L45 VanDerWaalsContact O-N 3.11Å; L41-Y66 HydrophobicContact CB-CD2 4.17Å; L41-Y66 HydrophobicContact CB-CE2 4.31Å; L41-Y66 HydrophobicContact CD2-CD2 3.7Å; L41-Y66 HydrophobicContact CD2-CE2 3.8Å; L41-L69 HydrophobicContact CD2-CB 4.34Å; L41-L69 HydrophobicContact CD2-CD2 3.68Å; L41-L69 HydrophobicContact CD2-CG 3.88Å; L41-L69 HydrophobicContact CG-CD2 4.08Å; L41-I73 HydrophobicContact CD2-CD1 4.48Å
42	C	91.3	Very high	90.9	Very high	36 Å²	36	69.1 Å²	69.1	24%	0.243	35%	0.345	C	S	.	.	H	α-helix	trans	-59.4	-30.7	178.1	-71.4	0	0	0	0	113.1	Y38 R39	Y38-C42 WeakPolarHBondContact O-CB 3.22Å; Y38-C42 PolarHBondContact O-N 3.04Å; Y38-C42 PolarHBondContact O-SG 3.41Å; R39-C42 PolarHBondContact O-N 2.76Å
43	S	90.1	Very high	90.8	Very high	94 Å²	94	61.8 Å²	61.8	66%	0.657	31%	0.313	S	S	*	.	H	α-helix	trans	-74.3	-26.8	177.9	-67	0	0	0	0	114.2	R39 D40 L41	R39-S43 PolarHBondContact O-N 3.09Å; R39-S43 PolarHBondContact O-OG 3.06Å; D40-S43 PolarHBondContact O-N 3.39Å; L41-S43 PolarHBondContact O-N 2.9Å
44	V	90.9	Very high	90.8	Very high	30 Å²	30	66.6 Å²	66.6	18%	0.182	32%	0.321	C	S	.	.	H	α-helix	trans	-97.6	-18.8	-177.9	66.5	0	0	0	0	113.3	L7 P8 W18 D40 L41	L7-V44 HydrophobicContact CB-CB 4.43Å; L7-V44 HydrophobicContact CB-CG2 4.28Å; L7-V44 HydrophobicContact CD1-CB 4.43Å; P8-V44 VanDerWaalsContact O-CG2 3.31Å; P8-V44 WeakPolarHBondContact O-CG2 3.3Å; W18-V44 HydrophobicContact CH2-CG1 3.79Å; W18-V44 HydrophobicContact CZ2-CB 4.44Å; W18-V44 HydrophobicContact CZ2-CG1 3.55Å; W18-V44 HydrophobicContact CZ2-CG2 4.01Å; D40-V44 WeakPolarHBondContact O-CG1 3.3Å; D40-V44 PolarHBondContact O-N 2.85Å; L41-V44 VanDerWaalsContact O-CG1 3.28Å; L41-V44 WeakPolarHBondContact O-CG1 3.31Å; L41-V44 PolarHBondContact O-N 3.3Å; L41-V44 VanDerWaalsContact O-N 3.13Å
45	L	90.7	Very high	90.6	Very high	14 Å²	14	69.7 Å²	69.7	7%	0.073	34%	0.339	C	S	.	.	S	Bend	trans	-67.3	133.3	-178.5	-74.5	173.7	0	0	0	112.7	Y10 W18 L41 V49 L69 I73	Y10-L45 HydrophobicContact CD2-CD2 4.05Å; Y10-L45 HydrophobicContact CE2-CD2 4.05Å; W18-L45 HydrophobicContact CH2-CD2 4.06Å; W18-L45 HydrophobicContact CZ3-CD2 4.29Å; L41-L45 HydrophobicContact CD1-CD1 3.97Å; L41-L45 HydrophobicContact CD1-CD2 3.93Å; L41-L45 HydrophobicContact CD1-CG 3.81Å; L41-L45 HydrophobicContact CG-CD1 3.93Å; L41-L45 HydrophobicContact CG-CG 4.24Å; L41-L45 VanDerWaalsContact O-CG 3.26Å; L41-L45 WeakPolarHBondContact O-CG 3.33Å; L41-L45 PolarHBondContact O-N 2.91Å; L41-L45 VanDerWaalsContact O-N 3.11Å; L45-V49 HydrophobicContact CD1-CG1 4.45Å; L45-V49 HydrophobicContact CD2-CB 4.31Å; L45-V49 HydrophobicContact CD2-CG1 3.81Å; L45-L69 HydrophobicContact CD1-CD2 4.41Å; L45-I73 HydrophobicContact CD1-CD1 3.5Å; L45-I73 HydrophobicContact CD2-CD1 4.01Å; L45-I73 HydrophobicContact CG-CD1 4.41Å
46	P	90.7	Very high	90.5	Very high	30 Å²	30	60.6 Å²	60.6	20%	0.195	31%	0.306	C	S	.	.			trans	-70.9	156.2	175.2	31.3	-37	0	0	0	111.2	Y10 S48 V49 T50	Y10-P46 VanDerWaalsContact CD1-CD 3.46Å; Y10-P46 HydrophobicContact CD1-CG 3.41Å; Y10-P46 VanDerWaalsContact CD1-CG 3.41Å; Y10-P46 HydrophobicContact CE1-CG 3.77Å; Y10-P46 HydrophobicContact CG-CG 4.04Å; P46-S48 PolarHBondContact O-N 3.3Å; P46-V49 HydrophobicContact CG-CB 4.2Å; P46-V49 HydrophobicContact CG-CG2 3.77Å; P46-V49 PolarHBondContact O-N 3.17Å; P46-T50 PolarHBondContact O-N 3.33Å; P46-T50 PolarHBondContact O-OG1 3.45Å
47	P	90	Very high	90.4	Very high	96 Å²	96	59.9 Å²	59.9	62%	0.623	30%	0.303	S	S	*	.	H	α-helix	trans	-58.9	-27	-177	21.9	-33.1	0	0	0	113.6	K51	P47-K51 VanDerWaalsContact O-CB 3.3Å; P47-K51 WeakPolarHBondContact O-CB 3.28Å; P47-K51 WeakPolarHBondContact O-CG 3.47Å; P47-K51 PolarHBondContact O-N 2.94Å
48	S	88.5	Confident	90.3	Very high	60 Å²	60	63.1 Å²	63.1	42%	0.42	32%	0.323	S	S	.	.	H	α-helix	trans	-63.4	-41.1	175.1	48	0	0	0	0	112.8	P46	P46-S48 PolarHBondContact O-N 3.3Å
49	V	88.9	Confident	90.1	Very high	16 Å²	16	66.5 Å²	66.5	10%	0.097	34%	0.343	C	S	.	.	H	α-helix	trans	-78.5	-45.2	178.7	179	0	0	0	0	109.9	Y10 L45 P46 K51 K52 S53 I73	Y10-V49 HydrophobicContact CE1-CG2 3.63Å; Y10-V49 WeakPolarHBondContact OH-CG2 3.15Å; L45-V49 HydrophobicContact CD1-CG1 4.45Å; L45-V49 HydrophobicContact CD2-CB 4.31Å; L45-V49 HydrophobicContact CD2-CG1 3.81Å; P46-V49 HydrophobicContact CG-CB 4.2Å; P46-V49 HydrophobicContact CG-CG2 3.77Å; P46-V49 PolarHBondContact O-N 3.17Å; V49-K51 VanDerWaalsContact C-N 3.25Å; V49-K51 PolarHBondContact O-N 3.47Å; V49-K52 WeakPolarHBondContact O-CA 3.41Å; V49-K52 WeakPolarHBondContact O-CB 3.08Å; V49-K52 PolarHBondContact O-N 3.42Å; V49-S53 PolarHBondContact O-N 3.05Å; V49-S53 PolarHBondContact O-OG 2.98Å; V49-I73 HydrophobicContact CG1-CD1 4.06Å; V49-I73 HydrophobicContact CG1-CG1 3.93Å; V49-I73 HydrophobicContact CG1-CG2 3.79Å
50	T	90.1	Very high	89.7	Confident	43 Å²	43	63.1 Å²	63.1	26%	0.264	34%	0.339	S	S	.	.	H	α-helix	trans	-54.8	-39.3	175.4	-61.6	0	0	0	0	112.3	P46 S53 R54 I57	P46-T50 PolarHBondContact O-N 3.33Å; P46-T50 PolarHBondContact O-OG1 3.45Å; T50-S53 CarbonylContact O-C 3.43Å; T50-S53 PolarHBondContact O-N 2.83Å; T50-R54 VanDerWaalsContact O-CA 3.25Å; T50-R54 WeakPolarHBondContact O-CA 3.47Å; T50-R54 PolarHBondContact O-N 3.02Å; T50-I57 HydrophobicContact CG2-CD1 3.7Å
51	K	90.1	Very high	89.2	Confident	164 Å²	164	64.5 Å²	64.5	71%	0.713	35%	0.35	S	S	*	.	H	α-helix	trans	-63.3	-40	174.3	-80.7	174.4	-176.2	-176.1	0	112.5	P47 V49 R54	P47-K51 VanDerWaalsContact O-CB 3.3Å; P47-K51 WeakPolarHBondContact O-CB 3.28Å; P47-K51 WeakPolarHBondContact O-CG 3.47Å; P47-K51 PolarHBondContact O-N 2.94Å; V49-K51 VanDerWaalsContact C-N 3.25Å; V49-K51 PolarHBondContact O-N 3.47Å; K51-R54 WeakPolarHBondContact O-CB 3.49Å
52	K	87.1	Confident	88.7	Confident	113 Å²	113	71 Å²	71	49%	0.491	39%	0.389	S	S	.	.	H	α-helix	trans	-65.7	-54.4	175.9	-69.4	-174.8	176.6	-170.4	0	109	V49 R54 R76	V49-K52 WeakPolarHBondContact O-CA 3.41Å; V49-K52 WeakPolarHBondContact O-CB 3.08Å; V49-K52 PolarHBondContact O-N 3.42Å; K52-R54 PolarHBondContact O-N 3.5Å; K52-R54 VanDerWaalsContact O-N 3.1Å; K52-R76 PolarHBondContact O-NH1 3.23Å
53	S	88.1	Confident	88.4	Confident	1 Å²	1	74.7 Å²	74.7	1%	0.007	41%	0.413	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.9	21.7	-179.3	61	0	0	0	0	114.4	V49 T50 D55 L56 I57	V49-S53 PolarHBondContact O-N 3.05Å; V49-S53 PolarHBondContact O-OG 2.98Å; T50-S53 CarbonylContact O-C 3.43Å; T50-S53 PolarHBondContact O-N 2.83Å; S53-D55 VanDerWaalsContact C-N 3.3Å; S53-D55 PolarHBondContact O-N 2.98Å; S53-L56 PolarHBondContact O-N 3.37Å; S53-I57 WeakPolarHBondContact O-CG1 3.46Å; S53-I57 PolarHBondContact O-N 3.39Å; S53-I57 WeakPolarHBondContact OG-CD1 3.3Å
54	R	90.2	Very high	88.4	Confident	166 Å²	166	75 Å²	75	63%	0.626	40%	0.404	S	S	*	.	H	α-helix	trans	-57.5	-43.3	-173.6	-177.9	-173.9	72.9	-175.2	0.7	112.2	T50 K51 K52 L56 I57 L58	T50-R54 VanDerWaalsContact O-CA 3.25Å; T50-R54 WeakPolarHBondContact O-CA 3.47Å; T50-R54 PolarHBondContact O-N 3.02Å; K51-R54 WeakPolarHBondContact O-CB 3.49Å; K52-R54 PolarHBondContact O-N 3.5Å; K52-R54 VanDerWaalsContact O-N 3.1Å; R54-L56 VanDerWaalsContact C-N 3.34Å; R54-L56 PolarHBondContact O-N 3.33Å; R54-I57 PolarHBondContact O-N 3Å; R54-I57 VanDerWaalsContact O-N 3.14Å; R54-L58 HydrophobicContact CG-CD1 3.72Å; R54-L58 HydrophobicContact CG-CG 4.12Å; R54-L58 WeakPolarHBondContact O-CB 3.31Å; R54-L58 WeakPolarHBondContact O-CG 3.48Å; R54-L58 PolarHBondContact O-N 2.78Å
55	D	89.4	Confident	88.5	Confident	98 Å²	98	74.2 Å²	74.2	52%	0.524	40%	0.4	S	S	.	.	H	α-helix	trans	-59.1	-46.1	-178.6	-176.6	-108.2	0	0	0	111.7	S53 I57 L58 N59	S53-D55 VanDerWaalsContact C-N 3.3Å; S53-D55 PolarHBondContact O-N 2.98Å; D55-I57 VanDerWaalsContact C-N 3.3Å; D55-I57 PolarHBondContact O-N 3.5Å; D55-L58 PolarHBondContact O-N 3.44Å; D55-N59 WeakPolarHBondContact O-CB 3.47Å; D55-N59 PolarHBondContact O-N 3.45Å
56	L	89	Confident	88.6	Confident	20 Å²	20	73.7 Å²	73.7	11%	0.105	40%	0.397	C	S	.	.	H	α-helix	trans	-68.1	-29.1	176	-62	-174.7	0	0	0	113.5	Y38 S53 R54 N59 P60 I68 L69 E72	Y38-L56 PolarHBondContact OH-O 3.45Å; S53-L56 PolarHBondContact O-N 3.37Å; R54-L56 VanDerWaalsContact C-N 3.34Å; R54-L56 PolarHBondContact O-N 3.33Å; L56-N59 CarbonylContact O-C 3.34Å; L56-P60 WeakPolarHBondContact O-CA 3.24Å; L56-I68 HydrophobicContact CD1-CG2 4.2Å; L56-I68 HydrophobicContact CD2-CG2 4.16Å; L56-L69 HydrophobicContact CB-CD1 4.06Å; L56-L69 HydrophobicContact CD1-CD1 4.24Å; L56-E72 HydrophobicContact CD1-CB 3.25Å; L56-E72 HydrophobicContact CD1-CG 3.38Å; L56-E72 HydrophobicContact CG-CG 4.38Å
57	I	90.1	Very high	88.7	Confident	41 Å²	41	74.9 Å²	74.9	21%	0.21	40%	0.404	C	S	.	.	H	α-helix	trans	-75.1	-39.9	179.5	-69.2	171.6	0	0	0	111.1	Y38 T50 S53 R54 D55 L69	Y38-I57 VanDerWaalsContact OH-CA 3.24Å; Y38-I57 WeakPolarHBondContact OH-CA 3.16Å; Y38-I57 PolarHBondContact OH-O 3.23Å; T50-I57 HydrophobicContact CG2-CD1 3.7Å; S53-I57 WeakPolarHBondContact O-CG1 3.46Å; S53-I57 PolarHBondContact O-N 3.39Å; S53-I57 WeakPolarHBondContact OG-CD1 3.3Å; R54-I57 PolarHBondContact O-N 3Å; R54-I57 VanDerWaalsContact O-N 3.14Å; D55-I57 VanDerWaalsContact C-N 3.3Å; D55-I57 PolarHBondContact O-N 3.5Å; I57-L69 HydrophobicContact CG1-CD1 4.11Å; I57-L69 HydrophobicContact CG1-CD2 4.35Å
58	L	91.2	Very high	88.8	Confident	117 Å²	117	73.2 Å²	73.2	61%	0.613	39%	0.389	S	S	*	.	H	α-helix	trans	-76.1	-36.7	177	-65.9	177.8	0	0	0	111.9	R54 D55 P60	R54-L58 HydrophobicContact CG-CD1 3.72Å; R54-L58 HydrophobicContact CG-CG 4.12Å; R54-L58 WeakPolarHBondContact O-CB 3.31Å; R54-L58 WeakPolarHBondContact O-CG 3.48Å; R54-L58 PolarHBondContact O-N 2.78Å; D55-L58 PolarHBondContact O-N 3.44Å; L58-P60 VanDerWaalsContact C-CD 3.48Å; L58-P60 VanDerWaalsContact O-CD 3.3Å; L58-P60 WeakPolarHBondContact O-CD 3.15Å
59	N	89	Confident	89	Confident	105 Å²	105	70.5 Å²	70.5	56%	0.561	37%	0.37	S	S	*	.	S	Bend	trans	-117.5	75.5	178.1	-59.7	-63.3	0	0	0	110	D55 L56 S61	D55-N59 WeakPolarHBondContact O-CB 3.47Å; D55-N59 PolarHBondContact O-N 3.45Å; L56-N59 CarbonylContact O-C 3.34Å; N59-S61 PolarHBondContact O-N 2.84Å
60	P	84.1	Confident	89.1	Confident	64 Å²	64	72.7 Å²	72.7	42%	0.416	38%	0.376	S	S	.	.	P	Polyproline II helix	trans	-61.9	125.1	178.6	24.9	-33.2	0	0	0	110.6	Y38 L56 L58 T62 P65	Y38-P60 HydrophobicContact CE1-CB 4.34Å; Y38-P60 HydrophobicContact CE2-CB 4.41Å; L56-P60 WeakPolarHBondContact O-CA 3.24Å; L58-P60 VanDerWaalsContact C-CD 3.48Å; L58-P60 VanDerWaalsContact O-CD 3.3Å; L58-P60 WeakPolarHBondContact O-CD 3.15Å; P60-T62 PolarHBondContact O-N 2.9Å; P60-P65 HydrophobicContact CB-CB 4.09Å
61	S	81.7	Confident	89.2	Confident	46 Å²	46	79.4 Å²	79.4	32%	0.322	40%	0.397	S	S	.	.	P	Polyproline II helix	trans	-64.9	134.8	176.7	-49.1	0	0	0	0	111.3	N59 P65	N59-S61 PolarHBondContact O-N 2.84Å; S61-P65 WeakPolarHBondContact O-CD 3.32Å
62	T	80.8	Confident	89.2	Confident	136 Å²	136	74 Å²	74	83%	0.834	37%	0.374	S	S	*	.	S	Bend	trans	-96.7	130.5	169.6	54	0	0	0	0	108.1	P60	P60-T62 PolarHBondContact O-N 2.9Å
63	P	86.1	Confident	89.3	Confident	114 Å²	114	68.9 Å²	68.9	74%	0.74	35%	0.352	S	S	*	.	S	Bend	cis	-102.1	-7.3	14.2	33.7	-29.3	0	0	0	117.2	P65	P63-P65 VanDerWaalsContact C-CD 3.45Å; P63-P65 WeakPolarHBondContact O-CD 3.27Å
64	Q	90.5	Very high	89.3	Confident	100 Å²	100	70.8 Å²	70.8	47%	0.467	36%	0.361	S	S	.	.			trans	-120.4	67.5	-169.4	-64.2	178.7	102.8	0	0	112.9	Y66 T67 I68	Q64-Y66 VanDerWaalsContact C-N 3.33Å; Q64-Y66 PolarHBondContact O-N 3.1Å; Q64-T67 PolarHBondContact O-N 2.92Å; Q64-I68 VanDerWaalsContact O-CG1 3.3Å; Q64-I68 WeakPolarHBondContact O-CG1 3.5Å; Q64-I68 PolarHBondContact O-N 3.47Å; Q64-I68 VanDerWaalsContact O-N 3.08Å
65	P	91.9	Very high	89.2	Confident	15 Å²	15	66.6 Å²	66.6	10%	0.097	35%	0.351	C	S	.	.	H	α-helix	trans	-63.4	-36.8	-172.7	26.3	-36.6	0	0	0	112.9	E34 Y38 P60 S61 P63 L69	E34-P65 HydrophobicContact CB-CG 4.43Å; Y38-P65 HydrophobicContact CD2-CB 3.69Å; Y38-P65 HydrophobicContact CD2-CG 4.48Å; Y38-P65 HydrophobicContact CE2-CB 4.12Å; Y38-P65 HydrophobicContact CG-CB 3.9Å; Y38-P65 HydrophobicContact CG-CG 4.24Å; P60-P65 HydrophobicContact CB-CB 4.09Å; S61-P65 WeakPolarHBondContact O-CD 3.32Å; P63-P65 VanDerWaalsContact C-CD 3.45Å; P63-P65 WeakPolarHBondContact O-CD 3.27Å; P65-L69 WeakPolarHBondContact O-CB 3.38Å; P65-L69 PolarHBondContact O-N 3.11Å
66	Y	93.4	Very high	89	Confident	2 Å²	2	65.4 Å²	65.4	1%	0.008	34%	0.339	C	S	.	.	H	α-helix	trans	-68.3	-48.8	178	166.4	-98.3	0	0	0	111.4	L22 F26 E34 R37 L41 Q64 I68 L69 R70	L22-Y66 HydrophobicContact CD2-CE2 4.49Å; F26-Y66 HydrophobicContact CD2-CE2 4.5Å; F26-Y66 HydrophobicContact CE2-CD2 4.36Å; F26-Y66 AromaticContact CE2-CE2 3.56Å; F26-Y66 HydrophobicContact CE2-CE2 3.56Å; F26-Y66 AromaticContact CE2-CZ 3.7Å; F26-Y66 HydrophobicContact CZ-CE2 4.24Å; E34-Y66 WeakPolarHBondContact OE1-CD1 3.33Å; E34-Y66 WeakPolarHBondContact OE2-CB 3.25Å; E34-Y66 PolarHBondContact OE2-N 3.42Å; R37-Y66 HydrophobicContact CB-CD1 4Å; R37-Y66 HydrophobicContact CB-CD2 3.52Å; R37-Y66 HydrophobicContact CB-CE1 4.49Å; R37-Y66 HydrophobicContact CB-CE2 4.06Å; R37-Y66 HydrophobicContact CB-CG 3.48Å; R37-Y66 VanDerWaalsContact CB-CG 3.48Å; R37-Y66 HydrophobicContact CG-CG 4.49Å; L41-Y66 HydrophobicContact CB-CD2 4.17Å; L41-Y66 HydrophobicContact CB-CE2 4.31Å; L41-Y66 HydrophobicContact CD2-CD2 3.7Å; L41-Y66 HydrophobicContact CD2-CE2 3.8Å; Q64-Y66 VanDerWaalsContact C-N 3.33Å; Q64-Y66 PolarHBondContact O-N 3.1Å; Y66-I68 VanDerWaalsContact C-N 3.32Å; Y66-I68 PolarHBondContact O-N 3.34Å; Y66-L69 PolarHBondContact O-N 3.34Å; Y66-R70 WeakPolarHBondContact O-CB 3.43Å; Y66-R70 PolarHBondContact O-N 2.83Å
67	T	92.4	Very high	88.4	Confident	56 Å²	56	67.4 Å²	67.4	34%	0.344	35%	0.347	S	S	.	.	H	α-helix	trans	-59.8	-43.9	-179	-57.1	0	0	0	0	111.5	E34 Q64 R71	E34-T67 WeakPolarHBondContact OE2-CB 3.47Å; E34-T67 PolarHBondContact OE2-N 2.82Å; E34-T67 PolarHBondContact OE2-OG1 3.27Å; Q64-T67 PolarHBondContact O-N 2.92Å; T67-R71 WeakPolarHBondContact O-CB 3.26Å; T67-R71 PolarHBondContact O-N 3.21Å
68	I	92.2	Very high	87.6	Confident	61 Å²	61	70 Å²	70	31%	0.313	36%	0.361	S	S	.	.	H	α-helix	trans	-66.7	-46.2	177.3	-62	-60.5	0	0	0	111.1	L56 Q64 Y66 R71 E72	L56-I68 HydrophobicContact CD1-CG2 4.2Å; L56-I68 HydrophobicContact CD2-CG2 4.16Å; Q64-I68 VanDerWaalsContact O-CG1 3.3Å; Q64-I68 WeakPolarHBondContact O-CG1 3.5Å; Q64-I68 PolarHBondContact O-N 3.47Å; Q64-I68 VanDerWaalsContact O-N 3.08Å; Y66-I68 VanDerWaalsContact C-N 3.32Å; Y66-I68 PolarHBondContact O-N 3.34Å; I68-R71 PolarHBondContact O-N 3.41Å; I68-E72 WeakPolarHBondContact O-CB 3.44Å; I68-E72 PolarHBondContact O-N 3.29Å
69	L	92.5	Very high	86.4	Confident	2 Å²	2	70 Å²	70	1%	0.01	36%	0.361	C	S	.	.	H	α-helix	trans	-61.6	-46.4	178.8	-179.8	60.4	0	0	0	111.9	Y38 L41 L45 L56 I57 P65 Y66 R71 E72 I73	Y38-L69 HydrophobicContact CD2-CB 4.32Å; Y38-L69 HydrophobicContact CD2-CD2 3.75Å; Y38-L69 HydrophobicContact CE2-CB 4.33Å; Y38-L69 HydrophobicContact CE2-CD2 3.58Å; L41-L69 HydrophobicContact CD2-CB 4.34Å; L41-L69 HydrophobicContact CD2-CD2 3.68Å; L41-L69 HydrophobicContact CD2-CG 3.88Å; L41-L69 HydrophobicContact CG-CD2 4.08Å; L45-L69 HydrophobicContact CD1-CD2 4.41Å; L56-L69 HydrophobicContact CB-CD1 4.06Å; L56-L69 HydrophobicContact CD1-CD1 4.24Å; I57-L69 HydrophobicContact CG1-CD1 4.11Å; I57-L69 HydrophobicContact CG1-CD2 4.35Å; P65-L69 WeakPolarHBondContact O-CB 3.38Å; P65-L69 PolarHBondContact O-N 3.11Å; Y66-L69 PolarHBondContact O-N 3.34Å; L69-R71 PolarHBondContact O-N 3.15Å; L69-E72 PolarHBondContact O-N 3.04Å; L69-I73 HydrophobicContact CD1-CD1 3.87Å; L69-I73 HydrophobicContact CD1-CG1 4.21Å; L69-I73 HydrophobicContact CG-CD1 3.82Å; L69-I73 WeakPolarHBondContact O-CD1 3.33Å; L69-I73 VanDerWaalsContact O-CG1 3.24Å; L69-I73 WeakPolarHBondContact O-CG1 3.34Å; L69-I73 PolarHBondContact O-N 3.14Å
70	R	92.2	Very high	85.1	Confident	62 Å²	62	68.7 Å²	68.7	23%	0.234	36%	0.36	C	S	.	.	H	α-helix	trans	-56.1	-52.2	174.9	173.3	-172.7	172.5	-177	10.5	110.7	F19 E23 Y66 E72 I73 M74	F19-R70 HydrophobicContact CD1-CG 3.85Å; F19-R70 HydrophobicContact CE1-CB 4.1Å; F19-R70 HydrophobicContact CE1-CG 3.79Å; F19-R70 HydrophobicContact CG-CG 4.26Å; F19-R70 HydrophobicContact CZ-CB 4.48Å; F19-R70 HydrophobicContact CZ-CG 4.15Å; E23-R70 IonicContact OE1-CZ 2.87Å; E23-R70 IonicContact OE1-NH1 2.83Å; E23-R70 PolarHBondContact OE1-NH1 3.13Å; E23-R70 IonicContact OE2-CZ 3.5Å; E23-R70 IonicContact OE2-NH1 2.84Å; E23-R70 PolarHBondContact OE2-NH1 3.2Å; E23-R70 IonicContact OE2-NH2 2.76Å; E23-R70 PolarHBondContact OE2-NH2 2.99Å; Y66-R70 WeakPolarHBondContact O-CB 3.43Å; Y66-R70 PolarHBondContact O-N 2.83Å; R70-E72 VanDerWaalsContact C-N 3.3Å; R70-E72 PolarHBondContact O-N 3.24Å; R70-I73 PolarHBondContact O-N 3.46Å; R70-M74 HydrophobicContact CG-CG 4.49Å; R70-M74 HydrophobicContact CG-SD 4.11Å; R70-M74 WeakPolarHBondContact O-CG 3.39Å; R70-M74 PolarHBondContact O-N 3.01Å
71	R	90.7	Very high	83.9	Confident	185 Å²	185	71.8 Å²	71.8	70%	0.698	37%	0.374	S	S	*	.	H	α-helix	trans	-57.6	-44.6	-178.1	-178	178.9	-178.9	174.7	1.6	111.4	T67 I68 L69 M74 N75	T67-R71 WeakPolarHBondContact O-CB 3.26Å; T67-R71 PolarHBondContact O-N 3.21Å; I68-R71 PolarHBondContact O-N 3.41Å; L69-R71 PolarHBondContact O-N 3.15Å; R71-M74 PolarHBondContact O-N 2.94Å; R71-N75 VanDerWaalsContact O-CB 3.27Å; R71-N75 WeakPolarHBondContact O-CB 3.44Å; R71-N75 PolarHBondContact O-N 3.26Å
72	E	90	Very high	82.4	Confident	49 Å²	49	71.6 Å²	71.6	23%	0.229	38%	0.378	C	S	.	.	H	α-helix	trans	-66.9	-41.6	179.2	-178.9	75.3	116.8	0	0	112.3	L56 I68 L69 R70 M74 N75 R76	L56-E72 HydrophobicContact CD1-CB 3.25Å; L56-E72 HydrophobicContact CD1-CG 3.38Å; L56-E72 HydrophobicContact CG-CG 4.38Å; I68-E72 WeakPolarHBondContact O-CB 3.44Å; I68-E72 PolarHBondContact O-N 3.29Å; L69-E72 PolarHBondContact O-N 3.04Å; R70-E72 VanDerWaalsContact C-N 3.3Å; R70-E72 PolarHBondContact O-N 3.24Å; E72-M74 VanDerWaalsContact C-N 3.32Å; E72-M74 PolarHBondContact O-N 3.32Å; E72-N75 PolarHBondContact O-N 2.87Å; E72-R76 WeakPolarHBondContact O-CB 3.24Å; E72-R76 VanDerWaalsContact O-CG 3.25Å; E72-R76 WeakPolarHBondContact O-CG 3.3Å; E72-R76 PolarHBondContact O-N 3.41Å; E72-R76 IonicContact OE1-CZ 3.8Å; E72-R76 IonicContact OE1-NE 3.61Å; E72-R76 IonicContact OE1-NH2 3.26Å; E72-R76 PolarHBondContact OE1-NH2 3.25Å; E72-R76 IonicContact OE2-NE 3.7Å; E72-R76 PolarHBondContact OE2-NE 3.25Å
73	I	90	Very high	81	Confident	7 Å²	7	74.7 Å²	74.7	4%	0.036	38%	0.383	C	S	.	.	H	α-helix	trans	-61.3	-44.8	176.1	-67.5	165.3	0	0	0	110.1	F19 L41 L45 V49 L69 R70 R76 F77	F19-I73 HydrophobicContact CE2-CB 4.22Å; F19-I73 HydrophobicContact CE2-CG2 3.74Å; F19-I73 HydrophobicContact CZ-CB 3.96Å; F19-I73 HydrophobicContact CZ-CD1 4.16Å; F19-I73 HydrophobicContact CZ-CG2 3.76Å; L41-I73 HydrophobicContact CD2-CD1 4.48Å; L45-I73 HydrophobicContact CD1-CD1 3.5Å; L45-I73 HydrophobicContact CD2-CD1 4.01Å; L45-I73 HydrophobicContact CG-CD1 4.41Å; V49-I73 HydrophobicContact CG1-CD1 4.06Å; V49-I73 HydrophobicContact CG1-CG1 3.93Å; V49-I73 HydrophobicContact CG1-CG2 3.79Å; L69-I73 HydrophobicContact CD1-CD1 3.87Å; L69-I73 HydrophobicContact CD1-CG1 4.21Å; L69-I73 HydrophobicContact CG-CD1 3.82Å; L69-I73 WeakPolarHBondContact O-CD1 3.33Å; L69-I73 VanDerWaalsContact O-CG1 3.24Å; L69-I73 WeakPolarHBondContact O-CG1 3.34Å; L69-I73 PolarHBondContact O-N 3.14Å; R70-I73 PolarHBondContact O-N 3.46Å; I73-R76 PolarHBondContact O-N 2.83Å; I73-F77 WeakPolarHBondContact O-CB 3.3Å; I73-F77 PolarHBondContact O-N 3.02Å
74	M	88.7	Confident	79.3	Confident	41 Å²	41	72.5 Å²	72.5	20%	0.202	38%	0.382	C	S	.	.	H	α-helix	trans	-62.6	-47.1	175.7	-70.3	-174.9	72.5	0	0	111.6	E16 F19 R70 R71 E72 R76 F77 L78	E16-M74 HydrophobicContact CB-CE 4.45Å; E16-M74 HydrophobicContact CG-CE 4.09Å; F19-M74 HydrophobicContact CD2-CG 3.79Å; F19-M74 HydrophobicContact CD2-SD 4.27Å; F19-M74 HydrophobicContact CE2-CG 3.8Å; R70-M74 HydrophobicContact CG-CG 4.49Å; R70-M74 HydrophobicContact CG-SD 4.11Å; R70-M74 WeakPolarHBondContact O-CG 3.39Å; R70-M74 PolarHBondContact O-N 3.01Å; R71-M74 PolarHBondContact O-N 2.94Å; E72-M74 VanDerWaalsContact C-N 3.32Å; E72-M74 PolarHBondContact O-N 3.32Å; M74-R76 VanDerWaalsContact C-N 3.31Å; M74-R76 PolarHBondContact O-N 3.37Å; M74-F77 PolarHBondContact O-N 2.69Å; M74-F77 VanDerWaalsContact O-N 3.1Å; M74-L78 WeakPolarHBondContact O-CB 3.25Å; M74-L78 VanDerWaalsContact O-CG 3.31Å; M74-L78 WeakPolarHBondContact O-CG 3.44Å; M74-L78 PolarHBondContact O-N 2.99Å
75	N	88	Confident	76.9	Confident	78 Å²	78	74 Å²	74	42%	0.417	40%	0.402	S	S	.	.	H	α-helix	trans	-56.5	-45.6	178	-173.5	49.3	0	0	0	111.3	R71 E72 F77 L78 L79	R71-N75 VanDerWaalsContact O-CB 3.27Å; R71-N75 WeakPolarHBondContact O-CB 3.44Å; R71-N75 PolarHBondContact O-N 3.26Å; E72-N75 PolarHBondContact O-N 2.87Å; N75-F77 VanDerWaalsContact C-N 3.31Å; N75-F77 PolarHBondContact O-N 2.9Å; N75-L78 PolarHBondContact O-N 3.06Å; N75-L79 VanDerWaalsContact O-CB 3.32Å; N75-L79 WeakPolarHBondContact O-CB 3.45Å; N75-L79 WeakPolarHBondContact O-CD1 3.16Å; N75-L79 WeakPolarHBondContact O-CG 3.46Å; N75-L79 PolarHBondContact O-N 2.93Å
76	R	84.5	Confident	74.6	Confident	72 Å²	72	77.8 Å²	77.8	27%	0.272	43%	0.429	S	S	.	.	H	α-helix	trans	-69.7	-28.2	178.9	-68.4	172.5	-172.2	-140.2	19.2	113.4	K52 E72 I73 M74 S80	K52-R76 PolarHBondContact O-NH1 3.23Å; E72-R76 WeakPolarHBondContact O-CB 3.24Å; E72-R76 VanDerWaalsContact O-CG 3.25Å; E72-R76 WeakPolarHBondContact O-CG 3.3Å; E72-R76 PolarHBondContact O-N 3.41Å; E72-R76 IonicContact OE1-CZ 3.8Å; E72-R76 IonicContact OE1-NE 3.61Å; E72-R76 IonicContact OE1-NH2 3.26Å; E72-R76 PolarHBondContact OE1-NH2 3.25Å; E72-R76 IonicContact OE2-NE 3.7Å; E72-R76 PolarHBondContact OE2-NE 3.25Å; I73-R76 PolarHBondContact O-N 2.83Å; M74-R76 VanDerWaalsContact C-N 3.31Å; M74-R76 PolarHBondContact O-N 3.37Å; R76-S80 WeakPolarHBondContact O-CB 3.34Å; R76-S80 PolarHBondContact O-N 2.93Å; R76-S80 PolarHBondContact O-OG 3.1Å
77	F	77.7	Confident	72.1	Confident	62 Å²	62	86.6 Å²	86.6	27%	0.272	47%	0.47	S	S	.	.	H	α-helix	trans	-74.1	-49.2	173.6	-176.8	-98.3	0	0	0	111.3	P15 I73 M74 N75 L79 S80 D81	P15-F77 HydrophobicContact CG-CB 4.09Å; P15-F77 HydrophobicContact CG-CD1 3.27Å; P15-F77 HydrophobicContact CG-CD2 3.39Å; P15-F77 HydrophobicContact CG-CE1 3.36Å; P15-F77 HydrophobicContact CG-CE2 3.46Å; P15-F77 VanDerWaalsContact CG-CE2 3.46Å; P15-F77 HydrophobicContact CG-CG 3.27Å; P15-F77 HydrophobicContact CG-CZ 3.45Å; P15-F77 VanDerWaalsContact CG-CZ 3.45Å; I73-F77 WeakPolarHBondContact O-CB 3.3Å; I73-F77 PolarHBondContact O-N 3.02Å; M74-F77 PolarHBondContact O-N 2.69Å; M74-F77 VanDerWaalsContact O-N 3.1Å; N75-F77 VanDerWaalsContact C-N 3.31Å; N75-F77 PolarHBondContact O-N 2.9Å; F77-L79 VanDerWaalsContact C-N 3.3Å; F77-L79 PolarHBondContact O-N 3.03Å; F77-S80 WeakPolarHBondContact O-CA 3.38Å; F77-S80 WeakPolarHBondContact O-CB 3.49Å; F77-S80 PolarHBondContact O-N 2.91Å; F77-D81 PolarHBondContact O-N 2.62Å
78	L	73.1	Confident	69.5	Low	95 Å²	95	91.8 Å²	91.8	50%	0.497	49%	0.49	S	S	.	.	H	α-helix	trans	-60.1	-38.5	176.8	-66.8	173.9	0	0	0	112.1	M74 N75 S80 G82	M74-L78 WeakPolarHBondContact O-CB 3.25Å; M74-L78 VanDerWaalsContact O-CG 3.31Å; M74-L78 WeakPolarHBondContact O-CG 3.44Å; M74-L78 PolarHBondContact O-N 2.99Å; N75-L78 PolarHBondContact O-N 3.06Å; L78-S80 VanDerWaalsContact C-N 3.27Å; L78-S80 PolarHBondContact O-N 2.93Å; L78-G82 VanDerWaalsContact O-CA 3.3Å; L78-G82 WeakPolarHBondContact O-CA 3.41Å; L78-G82 PolarHBondContact O-N 3.5Å
79	L	66	Low	67.2	Low	117 Å²	117	97.8 Å²	97.8	61%	0.613	51%	0.514	S	S	*	.	H	α-helix	trans	-70	-22.8	173.5	-69.8	169.5	0	0	0	113.3	N75 F77	N75-L79 VanDerWaalsContact O-CB 3.32Å; N75-L79 WeakPolarHBondContact O-CB 3.45Å; N75-L79 WeakPolarHBondContact O-CD1 3.16Å; N75-L79 WeakPolarHBondContact O-CG 3.46Å; N75-L79 PolarHBondContact O-N 2.93Å; F77-L79 VanDerWaalsContact C-N 3.3Å; F77-L79 PolarHBondContact O-N 3.03Å
80	S	61.4	Low	64.9	Low	78 Å²	78	110 Å²	110	55%	0.545	57%	0.571	S	S	.	*	H	α-helix	trans	-84.4	-31.5	177.8	-60.1	0	0	0	0	112.4	R76 F77 L78	R76-S80 WeakPolarHBondContact O-CB 3.34Å; R76-S80 PolarHBondContact O-N 2.93Å; R76-S80 PolarHBondContact O-OG 3.1Å; F77-S80 WeakPolarHBondContact O-CA 3.38Å; F77-S80 WeakPolarHBondContact O-CB 3.49Å; F77-S80 PolarHBondContact O-N 2.91Å; L78-S80 VanDerWaalsContact C-N 3.27Å; L78-S80 PolarHBondContact O-N 2.93Å
81	D	57.8	Low	63.5	Low	130 Å²	130	112.5 Å²	112.5	70%	0.695	59%	0.588	S	S	*	*	H	α-helix	trans	-89.7	-37.3	177.6	-174.7	-109	0	0	0	111.9	F77 Q83	F77-D81 PolarHBondContact O-N 2.62Å; D81-Q83 VanDerWaalsContact C-N 3.32Å; D81-Q83 PolarHBondContact O-N 3.44Å
82	G	50.9	Low	62.1	Low	41 Å²	41	108.6 Å²	108.6	42%	0.423	58%	0.582	S	S	.	*			trans	-82.5	68.7	176.9	0	0	0	0	0	112.6	L78 G84	L78-G82 VanDerWaalsContact O-CA 3.3Å; L78-G82 WeakPolarHBondContact O-CA 3.41Å; L78-G82 PolarHBondContact O-N 3.5Å; G82-G84 PolarHBondContact O-N 2.92Å
83	Q	51.7	Low	60.5	Low	201 Å²	201	111.9 Å²	111.9	94%	0.939	60%	0.601	S	S	*	*			trans	-68.8	79.4	150.7	-153.7	-169.2	-52.6	0	0	107.5	D81	D81-Q83 VanDerWaalsContact C-N 3.32Å; D81-Q83 PolarHBondContact O-N 3.44Å
84	G	49.8	Very low	58.8	Low	69 Å²	69	118.1 Å²	118.1	71%	0.711	64%	0.635	S	S	*	*			trans	146.4	93.5	173.4	0	0	0	0	0	114.9	G82	G82-G84 PolarHBondContact O-N 2.92Å
85	C	40.6	Very low	56.9	Low	132 Å²	132	122.9 Å²	122.9	89%	0.892	66%	0.662	S	S	*	*				-166.3	132.7	112.1	-154.6	0	0	0	0	108.9
86	S	44.2	Very low	54.9	Low	93 Å²	93	125.9 Å²	125.9	65%	0.65	68%	0.678	S	S	*	*			trans	-59.8	153.7	-168.2	-55.4	0	0	0	0	115.4
87	E	39.9	Very low	52.8	Low	188 Å²	188	129.8 Å²	129.8	88%	0.879	71%	0.707	S	S	*	*			trans	29.4	109.8	134.2	-61.3	174.4	86	0	0	118
88	E	38.6	Very low	50.8	Low	164 Å²	164	135 Å²	135	77%	0.766	74%	0.741	S	S	*	*			trans	-148.4	118.1	139.2	53.3	-179.6	94.2	0	0	109.4
89	K	43	Very low	49	Very low	187 Å²	187	138.3 Å²	138.3	81%	0.813	76%	0.761	S	S	*	*			trans	165.6	78.5	142.1	-81.5	-93.2	-174.1	-66.1	0	107
90	H	44	Very low	47.4	Very low	260 Å²	260	140.3 Å²	140.3	100%	1.204	77%	0.774	S	S	*	*			trans	-81.5	0	144.3	-170.6	71.1	0	0	0	107.2

Retrieved 90 of 90 residues in 199.1 ms (Link to these results)

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