A0A5K4F579_SCHMA Loading...

ATPase

AlphaFold DB , UniProt , Accession A0A5K4F579, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 94 aa.

						>A0A5K4F579_SCHMA|A0A5K4F579
MYFATLIHDELYKELIDVLGVQRFLLFRSEIDLHTIDKVYKAKYGIYLSDDVKRIYYGEYADALLKLLKKEEIPDIYQHSIPLPLPLLLHAIEP
					

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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	79.7	Confident	93.4	Very high	172 Å²	172	55.5 Å²	55.5	85%	0.847	26%	0.262	S	S	*	.				0	-54.8	0	-166.6	170.6	72.8	0	0	112.7	A4 T5	M1-A4 PolarHBondContact O-N 3.09Å; M1-T5 PolarHBondContact O-N 3.35Å; M1-T5 PolarHBondContact O-OG1 3.29Å; M1-T5 VanDerWaalsContact O-OG1 3.09Å
2	Y	93.8	Very high	93.5	Very high	162 Å²	162	60.2 Å²	60.2	64%	0.635	28%	0.277	S	S	*	.	H	α-helix	trans	-53	-56.5	-179	175.6	-107.1	0	0	0	113.5	A4 T5 L6	Y2-A4 PolarHBondContact O-N 3.5Å; Y2-T5 WeakPolarHBondContact O-CB 3.37Å; Y2-T5 PolarHBondContact O-N 3.43Å; Y2-L6 HydrophobicContact CE1-CD1 3.79Å; Y2-L6 HydrophobicContact CE2-CD1 4.41Å; Y2-L6 PolarHBondContact O-N 3.09Å; Y2-L6 WeakPolarHBondContact OH-CD1 3.49Å
3	F	94.5	Very high	93.5	Very high	56 Å²	56	63.6 Å²	63.6	25%	0.246	29%	0.291	C	S	.	.	H	α-helix	trans	-62.3	-37.1	-177.2	-69.6	-69.4	0	0	0	114.4	T5 L6 I7 R28 I36	F3-T5 PolarHBondContact O-N 2.97Å; F3-L6 PolarHBondContact O-N 2.96Å; F3-I7 WeakPolarHBondContact O-CB 3.27Å; F3-I7 VanDerWaalsContact O-CG1 3.24Å; F3-I7 WeakPolarHBondContact O-CG1 3.42Å; F3-I7 PolarHBondContact O-N 3.27Å; F3-R28 VanDerWaalsContact CE2-NH2 3.31Å; F3-I36 HydrophobicContact CB-CD1 3.53Å; F3-I36 HydrophobicContact CB-CG1 4Å; F3-I36 HydrophobicContact CB-CG2 4.32Å; F3-I36 HydrophobicContact CD2-CD1 4.15Å; F3-I36 HydrophobicContact CG-CD1 3.98Å
4	A	95.2	Very high	93.4	Very high	1 Å²	1	73.1 Å²	73.1	1%	0.008	34%	0.336	C	S	.	.	H	α-helix	trans	-61.4	-36.7	175.3	0	0	0	0	0	111.4	M1 Y2 H8 I36 V39 Y40	M1-A4 PolarHBondContact O-N 3.09Å; Y2-A4 PolarHBondContact O-N 3.5Å; A4-H8 WeakPolarHBondContact O-CB 3.33Å; A4-H8 PolarHBondContact O-N 3.42Å; A4-I36 HydrophobicContact CB-CG2 4.22Å; A4-V39 HydrophobicContact CB-CB 4.33Å; A4-V39 HydrophobicContact CB-CG1 3.89Å; A4-Y40 HydrophobicContact CB-CD2 4.26Å; A4-Y40 WeakPolarHBondContact O-CD2 3.38Å
5	T	96	Very high	93.4	Very high	32 Å²	32	78.3 Å²	78.3	20%	0.196	37%	0.366	C	S	.	.	H	α-helix	trans	-73.3	-46.9	177.9	-48.9	0	0	0	0	111	M1 Y2 F3 I7 H8 D9 K43 Y44	M1-T5 PolarHBondContact O-N 3.35Å; M1-T5 PolarHBondContact O-OG1 3.29Å; M1-T5 VanDerWaalsContact O-OG1 3.09Å; Y2-T5 WeakPolarHBondContact O-CB 3.37Å; Y2-T5 PolarHBondContact O-N 3.43Å; F3-T5 PolarHBondContact O-N 2.97Å; T5-I7 VanDerWaalsContact C-N 3.32Å; T5-I7 PolarHBondContact O-N 3.41Å; T5-H8 PolarHBondContact O-N 2.88Å; T5-D9 WeakPolarHBondContact O-CB 3.42Å; T5-D9 PolarHBondContact O-N 3.18Å; T5-K43 PolarHBondContact OG1-NZ 2.95Å; T5-Y44 WeakPolarHBondContact CA-OH 3.38Å
6	L	94.7	Very high	93.4	Very high	38 Å²	38	76.6 Å²	76.6	20%	0.199	36%	0.36	C	S	.	.	H	α-helix	trans	-57.4	-44.8	178	-175.1	149.4	0	0	0	112.1	Y2 F3 D9 E10 F24	Y2-L6 HydrophobicContact CE1-CD1 3.79Å; Y2-L6 HydrophobicContact CE2-CD1 4.41Å; Y2-L6 PolarHBondContact O-N 3.09Å; Y2-L6 WeakPolarHBondContact OH-CD1 3.49Å; F3-L6 PolarHBondContact O-N 2.96Å; L6-D9 PolarHBondContact O-N 2.64Å; L6-E10 PolarHBondContact O-N 3.4Å; L6-F24 HydrophobicContact CD1-CZ 4.4Å; L6-F24 HydrophobicContact CD2-CD1 4.27Å; L6-F24 HydrophobicContact CD2-CD2 3.95Å; L6-F24 HydrophobicContact CD2-CE1 3.87Å; L6-F24 HydrophobicContact CD2-CE2 3.54Å; L6-F24 HydrophobicContact CD2-CG 4.32Å; L6-F24 HydrophobicContact CD2-CZ 3.5Å; L6-F24 VanDerWaalsContact CD2-CZ 3.5Å
7	I	94.1	Very high	93.4	Very high	1 Å²	1	77.1 Å²	77.1	1%	0.005	37%	0.365	C	S	.	.	H	α-helix	trans	-66.7	-42.5	178.7	-68.4	167.9	0	0	0	110.9	F3 T5 E10 L11 I36 Y40 L48	F3-I7 WeakPolarHBondContact O-CB 3.27Å; F3-I7 VanDerWaalsContact O-CG1 3.24Å; F3-I7 WeakPolarHBondContact O-CG1 3.42Å; F3-I7 PolarHBondContact O-N 3.27Å; T5-I7 VanDerWaalsContact C-N 3.32Å; T5-I7 PolarHBondContact O-N 3.41Å; I7-E10 PolarHBondContact O-N 3.42Å; I7-L11 HydrophobicContact CG2-CD1 3.52Å; I7-L11 HydrophobicContact CG2-CG 4.23Å; I7-L11 WeakPolarHBondContact O-CB 3.36Å; I7-L11 VanDerWaalsContact O-CG 3.27Å; I7-L11 WeakPolarHBondContact O-CG 3.34Å; I7-L11 PolarHBondContact O-N 2.76Å; I7-I36 HydrophobicContact CD1-CG2 4Å; I7-Y40 HydrophobicContact CG2-CE2 4.27Å; I7-L48 HydrophobicContact CD1-CD2 4.33Å; I7-L48 HydrophobicContact CG2-CD1 3.48Å; I7-L48 VanDerWaalsContact CG2-CD1 3.48Å; I7-L48 HydrophobicContact CG2-CD2 4.36Å
8	H	95.2	Very high	93.3	Very high	35 Å²	35	75.9 Å²	75.9	16%	0.162	36%	0.364	C	S	.	.	H	α-helix	trans	-60.9	-48.2	176.8	178.8	-83.5	0	0	0	111.1	A4 T5 E10 L11 Y12 Y40 Y44	A4-H8 WeakPolarHBondContact O-CB 3.33Å; A4-H8 PolarHBondContact O-N 3.42Å; T5-H8 PolarHBondContact O-N 2.88Å; H8-E10 PolarHBondContact O-N 3.07Å; H8-L11 PolarHBondContact O-N 3.43Å; H8-Y12 AromaticContact CD2-CD2 3.81Å; H8-Y12 AromaticContact CD2-CE2 3.72Å; H8-Y12 AromaticContact CE1-CD2 3.84Å; H8-Y12 AromaticContact NE2-CD2 3.63Å; H8-Y12 AromaticContact NE2-CE2 3.56Å; H8-Y12 WeakPolarHBondContact O-CD2 3.45Å; H8-Y12 PolarHBondContact O-N 3.01Å; H8-Y12 VanDerWaalsContact O-N 3.13Å; H8-Y40 HydrophobicContact CB-CD2 4.44Å; H8-Y40 HydrophobicContact CB-CE2 3.56Å; H8-Y40 AromaticContact CD2-CZ 3.96Å; H8-Y40 PolarHBondContact CD2-OH 3.37Å; H8-Y44 HydrophobicContact CB-CD2 4.03Å; H8-Y44 HydrophobicContact CB-CE1 4.06Å; H8-Y44 HydrophobicContact CB-CE2 3.44Å; H8-Y44 VanDerWaalsContact CB-CE2 3.44Å; H8-Y44 VanDerWaalsContact CB-CZ 3.44Å; H8-Y44 AromaticContact CD2-CD1 3.28Å; H8-Y44 WeakPolarHBondContact CD2-CD1 3.06Å; H8-Y44 AromaticContact CD2-CD2 3.64Å; H8-Y44 AromaticContact CD2-CE1 3.45Å; H8-Y44 VanDerWaalsContact CD2-CE1 3.45Å; H8-Y44 WeakPolarHBondContact CD2-CE1 3.38Å; H8-Y44 AromaticContact CD2-CE2 3.83Å; H8-Y44 AromaticContact CD2-CG 3.38Å; H8-Y44 AromaticContact CD2-CZ 3.73Å; H8-Y44 AromaticContact CE1-CD1 3.86Å; H8-Y44 AromaticContact CE1-CE1 3.65Å; H8-Y44 AromaticContact CG-CD1 3.78Å; H8-Y44 AromaticContact CG-CD2 3.97Å; H8-Y44 AromaticContact CG-CE1 3.41Å; H8-Y44 VanDerWaalsContact CG-CE1 3.41Å; H8-Y44 AromaticContact CG-CE2 3.66Å; H8-Y44 AromaticContact CG-CZ 3.34Å; H8-Y44 AromaticContact ND1-CE1 3.53Å; H8-Y44 AromaticContact ND1-CZ 3.77Å; H8-Y44 AromaticContact NE2-CD1 3.33Å; H8-Y44 VanDerWaalsContact NE2-CD1 3.33Å; H8-Y44 WeakPolarHBondContact NE2-CD1 3.06Å; H8-Y44 AromaticContact NE2-CE1 3.59Å; H8-Y44 AromaticContact NE2-CG 3.84Å
9	D	94.8	Very high	93.3	Very high	87 Å²	87	78.1 Å²	78.1	47%	0.465	38%	0.377	S	S	.	.	H	α-helix	trans	-61.2	-36.7	-179.7	-65.3	-10.5	0	0	0	111	T5 L6 K13	T5-D9 WeakPolarHBondContact O-CB 3.42Å; T5-D9 PolarHBondContact O-N 3.18Å; L6-D9 PolarHBondContact O-N 2.64Å; D9-K13 WeakPolarHBondContact O-CG 3.34Å; D9-K13 PolarHBondContact O-N 2.94Å
10	E	94.8	Very high	93.3	Very high	25 Å²	25	74.7 Å²	74.7	12%	0.117	36%	0.363	C	S	.	.	H	α-helix	trans	-68.7	-44.5	174.8	-163.6	61.1	-127.8	0	0	112.8	L6 I7 H8 Y12 K13 D17 V21	L6-E10 PolarHBondContact O-N 3.4Å; I7-E10 PolarHBondContact O-N 3.42Å; H8-E10 PolarHBondContact O-N 3.07Å; E10-Y12 PolarHBondContact O-N 2.97Å; E10-K13 PolarHBondContact O-N 3.03Å; E10-K13 WeakPolarHBondContact OE1-CD 3.45Å; E10-K13 IonicContact OE1-NZ 3.4Å; E10-K13 PolarHBondContact OE1-NZ 3.49Å; E10-K13 IonicContact OE2-NZ 2.64Å; E10-K13 PolarHBondContact OE2-NZ 3.06Å; E10-D17 VanDerWaalsContact OE1-CB 3.27Å; E10-D17 WeakPolarHBondContact OE1-CB 3.4Å; E10-D17 PolarHBondContact OE1-N 3.2Å; E10-D17 VanDerWaalsContact OE1-N 3.09Å; E10-V21 HydrophobicContact CB-CG2 3.88Å; E10-V21 HydrophobicContact CG-CG2 3.36Å
11	L	94.9	Very high	93.3	Very high	1 Å²	1	71.1 Å²	71.1	1%	0.005	35%	0.346	C	S	.	.	H	α-helix	trans	-69.8	-15.3	-177.5	-74.5	169.4	0	0	0	114.5	I7 H8 I16 V21 L48 D51 R54 I55	I7-L11 HydrophobicContact CG2-CD1 3.52Å; I7-L11 HydrophobicContact CG2-CG 4.23Å; I7-L11 WeakPolarHBondContact O-CB 3.36Å; I7-L11 VanDerWaalsContact O-CG 3.27Å; I7-L11 WeakPolarHBondContact O-CG 3.34Å; I7-L11 PolarHBondContact O-N 2.76Å; H8-L11 PolarHBondContact O-N 3.43Å; L11-I16 WeakPolarHBondContact O-CD1 3.27Å; L11-V21 HydrophobicContact CD2-CG1 3.9Å; L11-V21 HydrophobicContact CD2-CG2 4.13Å; L11-V21 HydrophobicContact CG-CG1 4.36Å; L11-V21 HydrophobicContact CG-CG2 4.33Å; L11-L48 HydrophobicContact CD1-CD1 3.67Å; L11-D51 HydrophobicContact CD1-CB 3.86Å; L11-R54 PolarHBondContact O-NH2 3.4Å; L11-I55 HydrophobicContact CD2-CG1 3.75Å
12	Y	94.1	Very high	94	Very high	112 Å²	112	65.3 Å²	65.3	44%	0.439	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.5	7.9	-178.6	-79.8	-96.8	0	0	0	113.7	H8 E10 D51 R54	H8-Y12 AromaticContact CD2-CD2 3.81Å; H8-Y12 AromaticContact CD2-CE2 3.72Å; H8-Y12 AromaticContact CE1-CD2 3.84Å; H8-Y12 AromaticContact NE2-CD2 3.63Å; H8-Y12 AromaticContact NE2-CE2 3.56Å; H8-Y12 WeakPolarHBondContact O-CD2 3.45Å; H8-Y12 PolarHBondContact O-N 3.01Å; H8-Y12 VanDerWaalsContact O-N 3.13Å; E10-Y12 PolarHBondContact O-N 2.97Å; Y12-D51 PolarHBondContact OH-OD1 2.98Å; Y12-R54 PolarHBondContact OH-NH1 3.31Å
13	K	94.1	Very high	94.1	Very high	105 Å²	105	65.2 Å²	65.2	46%	0.457	32%	0.315	S	S	.	.	S	Bend	trans	-66	154	167.1	-81.8	165.5	-172.5	-178.3	0	111.2	D9 E10 L15 I16	D9-K13 WeakPolarHBondContact O-CG 3.34Å; D9-K13 PolarHBondContact O-N 2.94Å; E10-K13 PolarHBondContact O-N 3.03Å; E10-K13 WeakPolarHBondContact OE1-CD 3.45Å; E10-K13 IonicContact OE1-NZ 3.4Å; E10-K13 PolarHBondContact OE1-NZ 3.49Å; E10-K13 IonicContact OE2-NZ 2.64Å; E10-K13 PolarHBondContact OE2-NZ 3.06Å; K13-L15 VanDerWaalsContact C-N 3.31Å; K13-L15 PolarHBondContact O-N 2.97Å; K13-I16 WeakPolarHBondContact O-CG1 3.37Å
14	E	91.6	Very high	94	Very high	196 Å²	196	65.7 Å²	65.7	92%	0.916	32%	0.317	S	S	*	.	S	Bend	trans	-60.8	-42	171.4	-175.9	-179.7	-174.2	0	0	111.5
15	L	93.2	Very high	94	Very high	152 Å²	152	65.6 Å²	65.6	80%	0.796	32%	0.317	S	S	*	.	S	Bend	trans	-112.8	101.8	171.7	-64.3	176	0	0	0	108.7	K13	K13-L15 VanDerWaalsContact C-N 3.31Å; K13-L15 PolarHBondContact O-N 2.97Å
16	I	93.2	Very high	93.8	Very high	51 Å²	51	67.8 Å²	67.8	26%	0.262	33%	0.326	S	S	.	.			trans	-78.6	124.9	-178.6	-57.6	172.8	0	0	0	109.1	L11 K13 V18 V21 I55	L11-I16 WeakPolarHBondContact O-CD1 3.27Å; K13-I16 WeakPolarHBondContact O-CG1 3.37Å; I16-V18 VanDerWaalsContact C-N 3.26Å; I16-V18 HydrophobicContact CB-CG2 4.46Å; I16-V18 HydrophobicContact CG2-CG2 4.16Å; I16-V18 PolarHBondContact O-N 3.32Å; I16-V21 HydrophobicContact CG2-CG2 4.4Å; I16-I55 HydrophobicContact CD1-CD1 3.36Å; I16-I55 HydrophobicContact CD1-CG1 4.16Å
17	D	93.2	Very high	93.8	Very high	84 Å²	84	72.4 Å²	72.4	45%	0.449	35%	0.345	S	S	.	.			trans	-75.9	82.5	166.5	-178.3	10	0	0	0	110	E10 L19 G20 V21	E10-D17 VanDerWaalsContact OE1-CB 3.27Å; E10-D17 WeakPolarHBondContact OE1-CB 3.4Å; E10-D17 PolarHBondContact OE1-N 3.2Å; E10-D17 VanDerWaalsContact OE1-N 3.09Å; D17-L19 VanDerWaalsContact C-N 3.25Å; D17-L19 PolarHBondContact O-N 2.87Å; D17-L19 PolarHBondContact OD1-N 3.13Å; D17-G20 VanDerWaalsContact CG-N 3.3Å; D17-G20 WeakPolarHBondContact O-CA 3.5Å; D17-G20 PolarHBondContact O-N 3.3Å; D17-G20 VanDerWaalsContact O-N 3.09Å; D17-G20 PolarHBondContact OD1-N 2.74Å; D17-G20 WeakPolarHBondContact OD2-CA 3.32Å; D17-G20 PolarHBondContact OD2-N 3.18Å; D17-V21 PolarHBondContact O-N 3.33Å
18	V	92.7	Very high	93.8	Very high	57 Å²	57	74.1 Å²	74.1	35%	0.345	35%	0.352	S	S	.	.	H	α-helix	trans	-55.6	-41.3	-179.3	-178.8	0	0	0	0	111.1	I16 V21 Q22 I55 Y56	I16-V18 VanDerWaalsContact C-N 3.26Å; I16-V18 HydrophobicContact CB-CG2 4.46Å; I16-V18 HydrophobicContact CG2-CG2 4.16Å; I16-V18 PolarHBondContact O-N 3.32Å; V18-V21 PolarHBondContact O-N 3.2Å; V18-Q22 WeakPolarHBondContact O-CB 3.38Å; V18-Q22 PolarHBondContact O-N 3.06Å; V18-I55 HydrophobicContact CG1-CG2 4.37Å; V18-I55 HydrophobicContact CG2-CG2 3.99Å; V18-Y56 HydrophobicContact CG1-CD1 3.97Å; V18-Y56 HydrophobicContact CG1-CE1 3.23Å; V18-Y56 PolarHBondContact O-OH 3.28Å
19	L	93.4	Very high	93.7	Very high	117 Å²	117	74.5 Å²	74.5	61%	0.613	36%	0.358	S	S	*	.	H	α-helix	trans	-70.2	-34.9	179.3	-64.9	-180	0	0	0	112.1	D17 R23	D17-L19 VanDerWaalsContact C-N 3.25Å; D17-L19 PolarHBondContact O-N 2.87Å; D17-L19 PolarHBondContact OD1-N 3.13Å; L19-R23 WeakPolarHBondContact O-CB 3.44Å; L19-R23 PolarHBondContact O-N 2.99Å
20	G	93.3	Very high	93.4	Very high	9 Å²	9	78.9 Å²	78.9	9%	0.093	38%	0.376	C	S	.	.	H	α-helix	trans	-60.1	-52.7	171.7	0	0	0	0	0	111.8	D17 Q22 R23 F24	D17-G20 VanDerWaalsContact CG-N 3.3Å; D17-G20 WeakPolarHBondContact O-CA 3.5Å; D17-G20 PolarHBondContact O-N 3.3Å; D17-G20 VanDerWaalsContact O-N 3.09Å; D17-G20 PolarHBondContact OD1-N 2.74Å; D17-G20 WeakPolarHBondContact OD2-CA 3.32Å; D17-G20 PolarHBondContact OD2-N 3.18Å; G20-Q22 VanDerWaalsContact C-N 3.35Å; G20-Q22 PolarHBondContact O-N 3.37Å; G20-R23 WeakPolarHBondContact O-CB 3.25Å; G20-R23 PolarHBondContact O-N 2.94Å; G20-F24 WeakPolarHBondContact O-CD2 3.4Å; G20-F24 PolarHBondContact O-N 3.01Å
21	V	93.7	Very high	93.2	Very high	1 Å²	1	83.3 Å²	83.3	1%	0.006	40%	0.399	C	S	.	.	H	α-helix	trans	-57.8	-47.3	177.4	175.6	0	0	0	0	111	E10 L11 I16 D17 V18 R23 F24 L25 Y56	E10-V21 HydrophobicContact CB-CG2 3.88Å; E10-V21 HydrophobicContact CG-CG2 3.36Å; L11-V21 HydrophobicContact CD2-CG1 3.9Å; L11-V21 HydrophobicContact CD2-CG2 4.13Å; L11-V21 HydrophobicContact CG-CG1 4.36Å; L11-V21 HydrophobicContact CG-CG2 4.33Å; I16-V21 HydrophobicContact CG2-CG2 4.4Å; D17-V21 PolarHBondContact O-N 3.33Å; V18-V21 PolarHBondContact O-N 3.2Å; V21-R23 VanDerWaalsContact C-N 3.31Å; V21-R23 PolarHBondContact O-N 3.44Å; V21-F24 WeakPolarHBondContact O-CB 3.24Å; V21-F24 PolarHBondContact O-N 3.21Å; V21-L25 HydrophobicContact CG1-CD1 4.22Å; V21-L25 HydrophobicContact CG1-CG 4.46Å; V21-L25 WeakPolarHBondContact O-CG 3.42Å; V21-L25 PolarHBondContact O-N 3Å; V21-Y56 WeakPolarHBondContact CB-OH 3.46Å; V21-Y56 HydrophobicContact CG1-CE2 4.27Å
22	Q	94.2	Very high	93.1	Very high	50 Å²	50	85.5 Å²	85.5	23%	0.234	41%	0.411	C	S	.	.	H	α-helix	trans	-53.6	-49.3	176.2	162.3	-177.8	-5.4	0	0	111.4	V18 G20 F24 L25 L26 Y56 Y60	V18-Q22 WeakPolarHBondContact O-CB 3.38Å; V18-Q22 PolarHBondContact O-N 3.06Å; G20-Q22 VanDerWaalsContact C-N 3.35Å; G20-Q22 PolarHBondContact O-N 3.37Å; Q22-F24 VanDerWaalsContact C-N 3.31Å; Q22-F24 PolarHBondContact O-N 2.98Å; Q22-L25 PolarHBondContact O-N 3.01Å; Q22-L26 HydrophobicContact CG-CD1 3.92Å; Q22-L26 WeakPolarHBondContact O-CG 3.48Å; Q22-L26 PolarHBondContact O-N 3.23Å; Q22-Y56 HydrophobicContact CB-CE1 4.46Å; Q22-Y56 PolarHBondContact N-OH 2.96Å; Q22-Y56 VanDerWaalsContact N-OH 3.07Å; Q22-Y60 WeakPolarHBondContact CG-OH 3.36Å; Q22-Y60 PolarHBondContact NE2-OH 3.46Å; Q22-Y60 PolarHBondContact OE1-OH 3.01Å
23	R	94.6	Very high	93.1	Very high	159 Å²	159	80.2 Å²	80.2	60%	0.6	39%	0.39	S	S	*	.	H	α-helix	trans	-61.6	-40.3	-179.3	-176.3	-173.9	-58.8	-121.5	1.7	111.4	L19 G20 V21 L26 F27	L19-R23 WeakPolarHBondContact O-CB 3.44Å; L19-R23 PolarHBondContact O-N 2.99Å; G20-R23 WeakPolarHBondContact O-CB 3.25Å; G20-R23 PolarHBondContact O-N 2.94Å; V21-R23 VanDerWaalsContact C-N 3.31Å; V21-R23 PolarHBondContact O-N 3.44Å; R23-L26 PolarHBondContact O-N 3.48Å; R23-F27 HydrophobicContact CG-CD2 3.5Å; R23-F27 HydrophobicContact CG-CE2 3.28Å; R23-F27 HydrophobicContact CG-CZ 4.4Å; R23-F27 VanDerWaalsContact O-CD2 3.25Å; R23-F27 WeakPolarHBondContact O-CD2 3.29Å; R23-F27 PolarHBondContact O-N 3.4Å
24	F	93.4	Very high	93	Very high	66 Å²	66	78.2 Å²	78.2	29%	0.289	38%	0.382	S	S	.	.	H	α-helix	trans	-61.6	-46.7	174.1	-77.4	-64.6	0	0	0	112	L6 G20 V21 Q22 L26 F27 R28	L6-F24 HydrophobicContact CD1-CZ 4.4Å; L6-F24 HydrophobicContact CD2-CD1 4.27Å; L6-F24 HydrophobicContact CD2-CD2 3.95Å; L6-F24 HydrophobicContact CD2-CE1 3.87Å; L6-F24 HydrophobicContact CD2-CE2 3.54Å; L6-F24 HydrophobicContact CD2-CG 4.32Å; L6-F24 HydrophobicContact CD2-CZ 3.5Å; L6-F24 VanDerWaalsContact CD2-CZ 3.5Å; G20-F24 WeakPolarHBondContact O-CD2 3.4Å; G20-F24 PolarHBondContact O-N 3.01Å; V21-F24 WeakPolarHBondContact O-CB 3.24Å; V21-F24 PolarHBondContact O-N 3.21Å; Q22-F24 VanDerWaalsContact C-N 3.31Å; Q22-F24 PolarHBondContact O-N 2.98Å; F24-L26 VanDerWaalsContact C-N 3.34Å; F24-L26 PolarHBondContact O-N 3.42Å; F24-F27 PolarHBondContact O-N 3.17Å; F24-R28 VanDerWaalsContact O-CB 3.31Å; F24-R28 WeakPolarHBondContact O-CB 3.31Å; F24-R28 VanDerWaalsContact O-CG 3.24Å; F24-R28 WeakPolarHBondContact O-CG 3.43Å; F24-R28 PolarHBondContact O-N 3.18Å
25	L	94	Very high	93	Very high	0 Å²	0	72.8 Å²	72.8	0%	0	36%	0.363	C	S	.	.	H	α-helix	trans	-59.4	-45.9	178.7	-66.2	174	0	0	0	111.3	V21 Q22 S29 L33 L48 V52 L64 L68	V21-L25 HydrophobicContact CG1-CD1 4.22Å; V21-L25 HydrophobicContact CG1-CG 4.46Å; V21-L25 WeakPolarHBondContact O-CG 3.42Å; V21-L25 PolarHBondContact O-N 3Å; Q22-L25 PolarHBondContact O-N 3.01Å; L25-S29 WeakPolarHBondContact O-CB 3.24Å; L25-S29 PolarHBondContact O-N 3.36Å; L25-L33 HydrophobicContact CD2-CD1 3.76Å; L25-L33 HydrophobicContact CD2-CD2 4.42Å; L25-L48 HydrophobicContact CD2-CD2 3.99Å; L25-V52 HydrophobicContact CD1-CG2 3.77Å; L25-L64 HydrophobicContact CB-CD2 4.4Å; L25-L64 HydrophobicContact CD1-CB 4.49Å; L25-L64 HydrophobicContact CD1-CD1 4.13Å; L25-L64 HydrophobicContact CD1-CD2 4.19Å; L25-L68 HydrophobicContact CD2-CD2 4.47Å
26	L	93.6	Very high	93	Very high	77 Å²	77	65.9 Å²	65.9	40%	0.403	33%	0.327	S	S	.	.	H	α-helix	trans	-64.9	-46.4	179.3	-70.3	168.8	0	0	0	112.9	Q22 R23 F24 R28 S29 L67	Q22-L26 HydrophobicContact CG-CD1 3.92Å; Q22-L26 WeakPolarHBondContact O-CG 3.48Å; Q22-L26 PolarHBondContact O-N 3.23Å; R23-L26 PolarHBondContact O-N 3.48Å; F24-L26 VanDerWaalsContact C-N 3.34Å; F24-L26 PolarHBondContact O-N 3.42Å; L26-R28 PolarHBondContact O-N 3.01Å; L26-S29 PolarHBondContact O-N 3.37Å; L26-S29 PolarHBondContact O-OG 2.91Å; L26-L67 HydrophobicContact CD2-CD1 3.67Å; L26-L67 HydrophobicContact CG-CD1 4.45Å
27	F	93.6	Very high	93	Very high	136 Å²	136	64.3 Å²	64.3	60%	0.596	32%	0.319	S	S	*	.	H	α-helix	trans	-72.4	-30	-179.8	-73.6	-50.6	0	0	0	113.2	R23 F24	R23-F27 HydrophobicContact CG-CD2 3.5Å; R23-F27 HydrophobicContact CG-CE2 3.28Å; R23-F27 HydrophobicContact CG-CZ 4.4Å; R23-F27 VanDerWaalsContact O-CD2 3.25Å; R23-F27 WeakPolarHBondContact O-CD2 3.29Å; R23-F27 PolarHBondContact O-N 3.4Å; F24-F27 PolarHBondContact O-N 3.17Å
28	R	94	Very high	93	Very high	37 Å²	37	66.3 Å²	66.3	14%	0.14	32%	0.323	C	S	.	.	H	α-helix	trans	-81.7	-21.4	177.3	-62.2	-51.5	-66.9	-179.3	-16.1	112.5	F3 F24 L26 E30 I31 D32 L33 I36	F3-R28 VanDerWaalsContact CE2-NH2 3.31Å; F24-R28 VanDerWaalsContact O-CB 3.31Å; F24-R28 WeakPolarHBondContact O-CB 3.31Å; F24-R28 VanDerWaalsContact O-CG 3.24Å; F24-R28 WeakPolarHBondContact O-CG 3.43Å; F24-R28 PolarHBondContact O-N 3.18Å; L26-R28 PolarHBondContact O-N 3.01Å; R28-E30 PolarHBondContact O-N 3.34Å; R28-I31 PolarHBondContact O-N 3.46Å; R28-D32 IonicContact CZ-OD1 2.92Å; R28-D32 IonicContact CZ-OD2 3.7Å; R28-D32 IonicContact NE-OD1 2.73Å; R28-D32 PolarHBondContact NE-OD1 3.2Å; R28-D32 IonicContact NH2-OD1 2.69Å; R28-D32 PolarHBondContact NH2-OD1 3.23Å; R28-D32 IonicContact NH2-OD2 2.67Å; R28-D32 PolarHBondContact NH2-OD2 2.91Å; R28-D32 PolarHBondContact O-N 3.31Å; R28-L33 HydrophobicContact CB-CB 4.08Å; R28-L33 HydrophobicContact CB-CD1 4.2Å; R28-L33 WeakPolarHBondContact O-CB 3.48Å; R28-L33 PolarHBondContact O-N 3.28Å; R28-I36 HydrophobicContact CB-CD1 3.95Å; R28-I36 HydrophobicContact CG-CD1 3.81Å
29	S	92.7	Very high	93.1	Very high	42 Å²	42	65.9 Å²	65.9	29%	0.294	32%	0.321	S	S	.	.	H	α-helix	trans	-60	-31.2	-178.2	58.6	0	0	0	0	112.9	L25 L26	L25-S29 WeakPolarHBondContact O-CB 3.24Å; L25-S29 PolarHBondContact O-N 3.36Å; L26-S29 PolarHBondContact O-N 3.37Å; L26-S29 PolarHBondContact O-OG 2.91Å
30	E	88.9	Confident	93.2	Very high	179 Å²	179	60.3 Å²	60.3	84%	0.836	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83	-14	177.5	-63.6	-178.7	-169.1	0	0	114	R28	R28-E30 PolarHBondContact O-N 3.34Å
31	I	91.5	Very high	93.3	Very high	118 Å²	118	63.9 Å²	63.9	61%	0.605	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.1	-62.9	-170.5	-56.3	173.4	0	0	0	110.8	R28	R28-I31 PolarHBondContact O-N 3.46Å
32	D	93	Very high	93.5	Very high	47 Å²	47	68.1 Å²	68.1	25%	0.251	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-162.7	20.6	-170.3	74.5	-17.1	0	0	0	114.6	R28 H34 T35 I36	R28-D32 IonicContact CZ-OD1 2.92Å; R28-D32 IonicContact CZ-OD2 3.7Å; R28-D32 IonicContact NE-OD1 2.73Å; R28-D32 PolarHBondContact NE-OD1 3.2Å; R28-D32 IonicContact NH2-OD1 2.69Å; R28-D32 PolarHBondContact NH2-OD1 3.23Å; R28-D32 IonicContact NH2-OD2 2.67Å; R28-D32 PolarHBondContact NH2-OD2 2.91Å; R28-D32 PolarHBondContact O-N 3.31Å; D32-H34 PolarHBondContact O-N 3.33Å; D32-H34 VanDerWaalsContact O-N 3.08Å; D32-T35 WeakPolarHBondContact O-CA 3.39Å; D32-T35 WeakPolarHBondContact O-CB 3.43Å; D32-T35 PolarHBondContact O-N 3.02Å; D32-I36 PolarHBondContact O-N 3.17Å; D32-I36 WeakPolarHBondContact OD1-CD1 3.39Å
33	L	93.4	Very high	93.6	Very high	2 Å²	2	70.6 Å²	70.6	1%	0.01	35%	0.35	C	S	.	.	H	α-helix	trans	-52.3	-37.4	-176.9	-179.2	62.1	0	0	0	112.7	L25 R28 T35 I36 D37 L48 L67 L68	L25-L33 HydrophobicContact CD2-CD1 3.76Å; L25-L33 HydrophobicContact CD2-CD2 4.42Å; R28-L33 HydrophobicContact CB-CB 4.08Å; R28-L33 HydrophobicContact CB-CD1 4.2Å; R28-L33 WeakPolarHBondContact O-CB 3.48Å; R28-L33 PolarHBondContact O-N 3.28Å; L33-T35 VanDerWaalsContact C-N 3.35Å; L33-T35 PolarHBondContact O-N 3.35Å; L33-I36 CarbonylContact O-C 3.59Å; L33-I36 WeakPolarHBondContact O-CB 3.48Å; L33-I36 PolarHBondContact O-N 3.09Å; L33-I36 VanDerWaalsContact O-N 3.16Å; L33-D37 PolarHBondContact O-N 3.09Å; L33-L48 HydrophobicContact CD1-CD2 4.26Å; L33-L67 HydrophobicContact CD2-CB 4.03Å; L33-L68 HydrophobicContact CD1-CD2 3.9Å; L33-L68 HydrophobicContact CD2-CD2 3.84Å; L33-L68 HydrophobicContact CD2-CG 4.25Å; L33-L68 HydrophobicContact CG-CD2 3.73Å
34	H	91	Very high	93.7	Very high	62 Å²	62	66 Å²	66	29%	0.287	33%	0.333	S	S	.	.	H	α-helix	trans	-65.5	-36.6	176.7	-175.7	65.9	0	0	0	113.1	D32 I36 K38	D32-H34 PolarHBondContact O-N 3.33Å; D32-H34 VanDerWaalsContact O-N 3.08Å; H34-I36 VanDerWaalsContact C-N 3.34Å; H34-K38 WeakPolarHBondContact NE2-CE 3.4Å; H34-K38 PolarHBondContact NE2-NZ 2.91Å; H34-K38 WeakPolarHBondContact O-CG 3.33Å; H34-K38 PolarHBondContact O-N 2.97Å
35	T	92.2	Very high	93.8	Very high	82 Å²	82	66.1 Å²	66.1	50%	0.503	35%	0.353	S	S	.	.	H	α-helix	trans	-67.6	-39.2	172.1	-57.5	0	0	0	0	110.3	D32 L33 K38 V39	D32-T35 WeakPolarHBondContact O-CA 3.39Å; D32-T35 WeakPolarHBondContact O-CB 3.43Å; D32-T35 PolarHBondContact O-N 3.02Å; L33-T35 VanDerWaalsContact C-N 3.35Å; L33-T35 PolarHBondContact O-N 3.35Å; T35-K38 PolarHBondContact O-N 3.44Å; T35-V39 WeakPolarHBondContact O-CG2 3.45Å; T35-V39 PolarHBondContact O-N 3.09Å
36	I	93.7	Very high	93.9	Very high	8 Å²	8	68.4 Å²	68.4	4%	0.041	36%	0.364	C	S	.	.	H	α-helix	trans	-61.5	-46.6	175.2	-67	168.3	0	0	0	110.8	F3 A4 I7 R28 D32 L33 H34 K38 V39 Y40	F3-I36 HydrophobicContact CB-CD1 3.53Å; F3-I36 HydrophobicContact CB-CG1 4Å; F3-I36 HydrophobicContact CB-CG2 4.32Å; F3-I36 HydrophobicContact CD2-CD1 4.15Å; F3-I36 HydrophobicContact CG-CD1 3.98Å; A4-I36 HydrophobicContact CB-CG2 4.22Å; I7-I36 HydrophobicContact CD1-CG2 4Å; R28-I36 HydrophobicContact CB-CD1 3.95Å; R28-I36 HydrophobicContact CG-CD1 3.81Å; D32-I36 PolarHBondContact O-N 3.17Å; D32-I36 WeakPolarHBondContact OD1-CD1 3.39Å; L33-I36 CarbonylContact O-C 3.59Å; L33-I36 WeakPolarHBondContact O-CB 3.48Å; L33-I36 PolarHBondContact O-N 3.09Å; L33-I36 VanDerWaalsContact O-N 3.16Å; H34-I36 VanDerWaalsContact C-N 3.34Å; I36-K38 PolarHBondContact O-N 2.74Å; I36-V39 CarbonylContact O-C 3.59Å; I36-V39 PolarHBondContact O-N 3.29Å; I36-Y40 VanDerWaalsContact O-CB 3.3Å; I36-Y40 WeakPolarHBondContact O-CB 3.28Å; I36-Y40 PolarHBondContact O-N 3.47Å
37	D	93.1	Very high	93.9	Very high	18 Å²	18	69.6 Å²	69.6	10%	0.096	36%	0.364	C	S	.	.	H	α-helix	trans	-58.8	-44.2	177.8	177.1	58.9	0	0	0	112.1	L33 V39 Y40 K41 L48 L68	L33-D37 PolarHBondContact O-N 3.09Å; D37-V39 PolarHBondContact O-N 2.56Å; D37-Y40 WeakPolarHBondContact O-CB 3.35Å; D37-Y40 PolarHBondContact O-N 3.3Å; D37-K41 PolarHBondContact O-N 3.22Å; D37-L48 HydrophobicContact CB-CB 4.48Å; D37-L48 VanDerWaalsContact OD1-CB 3.24Å; D37-L48 WeakPolarHBondContact OD1-CB 3.13Å; D37-L48 PolarHBondContact OD1-N 3.06Å; D37-L48 VanDerWaalsContact OD1-N 3.1Å; D37-L68 HydrophobicContact CB-CD2 4.23Å
38	K	92.6	Very high	93.9	Very high	125 Å²	125	63.1 Å²	63.1	54%	0.543	34%	0.336	S	S	.	.	H	α-helix	trans	-59.2	-45	174	-74.2	177.6	177.5	168.5	0	112.6	H34 T35 I36 A42	H34-K38 WeakPolarHBondContact NE2-CE 3.4Å; H34-K38 PolarHBondContact NE2-NZ 2.91Å; H34-K38 WeakPolarHBondContact O-CG 3.33Å; H34-K38 PolarHBondContact O-N 2.97Å; T35-K38 PolarHBondContact O-N 3.44Å; I36-K38 PolarHBondContact O-N 2.74Å; K38-A42 WeakPolarHBondContact O-CB 3.33Å; K38-A42 PolarHBondContact O-N 3.14Å
39	V	94.6	Very high	93.9	Very high	48 Å²	48	62.7 Å²	62.7	29%	0.291	34%	0.338	S	S	.	.	H	α-helix	trans	-67.9	-37.8	177.9	173.5	0	0	0	0	111.1	A4 T35 I36 D37 A42 K43	A4-V39 HydrophobicContact CB-CB 4.33Å; A4-V39 HydrophobicContact CB-CG1 3.89Å; T35-V39 WeakPolarHBondContact O-CG2 3.45Å; T35-V39 PolarHBondContact O-N 3.09Å; I36-V39 CarbonylContact O-C 3.59Å; I36-V39 PolarHBondContact O-N 3.29Å; D37-V39 PolarHBondContact O-N 2.56Å; V39-A42 PolarHBondContact O-N 3.01Å; V39-K43 VanDerWaalsContact O-CB 3.3Å; V39-K43 WeakPolarHBondContact O-CB 3.33Å; V39-K43 PolarHBondContact O-N 2.88Å
40	Y	96.3	Very high	94	Very high	0 Å²	0	63.9 Å²	63.9	0%	0	34%	0.342	C	S	.	.	H	α-helix	trans	-60.1	-51.6	176.7	-169.3	-85.8	0	0	0	110.5	A4 I7 H8 I36 D37 A42 K43 Y44 I46 L48 D51	A4-Y40 HydrophobicContact CB-CD2 4.26Å; A4-Y40 WeakPolarHBondContact O-CD2 3.38Å; I7-Y40 HydrophobicContact CG2-CE2 4.27Å; H8-Y40 HydrophobicContact CB-CD2 4.44Å; H8-Y40 HydrophobicContact CB-CE2 3.56Å; H8-Y40 AromaticContact CD2-CZ 3.96Å; H8-Y40 PolarHBondContact CD2-OH 3.37Å; I36-Y40 VanDerWaalsContact O-CB 3.3Å; I36-Y40 WeakPolarHBondContact O-CB 3.28Å; I36-Y40 PolarHBondContact O-N 3.47Å; D37-Y40 WeakPolarHBondContact O-CB 3.35Å; D37-Y40 PolarHBondContact O-N 3.3Å; Y40-A42 PolarHBondContact O-N 3.49Å; Y40-K43 PolarHBondContact O-N 2.79Å; Y40-K43 VanDerWaalsContact O-N 3.14Å; Y40-Y44 HydrophobicContact CD1-CD2 4.26Å; Y40-Y44 AromaticContact CD2-CD2 3.94Å; Y40-Y44 HydrophobicContact CD2-CD2 3.94Å; Y40-Y44 HydrophobicContact CD2-CE2 4.16Å; Y40-Y44 HydrophobicContact CE1-CD2 4.34Å; Y40-Y44 HydrophobicContact CE2-CD2 4.02Å; Y40-Y44 HydrophobicContact CE2-CE2 4.24Å; Y40-Y44 HydrophobicContact CG-CD2 4.06Å; Y40-Y44 WeakPolarHBondContact O-CD2 3.45Å; Y40-Y44 PolarHBondContact O-N 3.46Å; Y40-I46 WeakPolarHBondContact CD1-O 3.44Å; Y40-I46 HydrophobicContact CE1-CG2 4.03Å; Y40-L48 HydrophobicContact CD1-CB 3.86Å; Y40-L48 HydrophobicContact CD2-CD1 4.28Å; Y40-L48 HydrophobicContact CE1-CB 4.23Å; Y40-L48 HydrophobicContact CE1-CD1 4.35Å; Y40-L48 HydrophobicContact CE2-CD1 4Å; Y40-L48 HydrophobicContact CG-CB 4.02Å; Y40-D51 WeakPolarHBondContact CE1-OD2 3.34Å; Y40-D51 PolarHBondContact OH-OD2 3.34Å
41	K	95.9	Very high	94.3	Very high	84 Å²	84	55.4 Å²	55.4	37%	0.365	30%	0.302	S	S	.	.	H	α-helix	trans	-58.7	-46.1	175.4	-169.8	-160	-176.8	-177	0	112.4	D37 K43 G45 I46 Y47	D37-K41 PolarHBondContact O-N 3.22Å; K41-K43 PolarHBondContact O-N 3.41Å; K41-G45 WeakPolarHBondContact O-CA 3.32Å; K41-G45 PolarHBondContact O-N 3.44Å; K41-I46 VanDerWaalsContact CA-O 3.31Å; K41-I46 WeakPolarHBondContact CA-O 3.16Å; K41-Y47 HydrophobicContact CB-CD1 4.39Å; K41-Y47 HydrophobicContact CD-CD1 3.8Å; K41-Y47 HydrophobicContact CD-CE1 3.41Å; K41-Y47 VanDerWaalsContact CD-CE1 3.41Å; K41-Y47 HydrophobicContact CD-CE2 4.28Å; K41-Y47 HydrophobicContact CD-CG 4.41Å; K41-Y47 WeakPolarHBondContact CE-OH 3.35Å; K41-Y47 HydrophobicContact CG-CD1 4.12Å; K41-Y47 HydrophobicContact CG-CE1 4.22Å; K41-Y47 HydrophobicContact CG-CG 4.39Å; K41-Y47 PolarHBondContact NZ-OH 2.94Å
42	A	96.6	Very high	94.4	Very high	90 Å²	90	49.8 Å²	49.8	74%	0.744	27%	0.273	S	S	*	.	H	α-helix	trans	-62.3	-31.9	178.7	0	0	0	0	0	112.7	K38 V39 Y40	K38-A42 WeakPolarHBondContact O-CB 3.33Å; K38-A42 PolarHBondContact O-N 3.14Å; V39-A42 PolarHBondContact O-N 3.01Å; Y40-A42 PolarHBondContact O-N 3.49Å
43	K	97.1	Very high	94.4	Very high	102 Å²	102	53.2 Å²	53.2	44%	0.443	29%	0.286	S	S	.	.	H	α-helix	trans	-87.2	-39.8	-176.8	-173.7	171.1	176.9	178.8	0	113.7	T5 V39 Y40 K41	T5-K43 PolarHBondContact OG1-NZ 2.95Å; V39-K43 VanDerWaalsContact O-CB 3.3Å; V39-K43 WeakPolarHBondContact O-CB 3.33Å; V39-K43 PolarHBondContact O-N 2.88Å; Y40-K43 PolarHBondContact O-N 2.79Å; Y40-K43 VanDerWaalsContact O-N 3.14Å; K41-K43 PolarHBondContact O-N 3.41Å
44	Y	96.7	Very high	94.5	Very high	62 Å²	62	57.7 Å²	57.7	24%	0.243	30%	0.303	C	S	.	.	H	α-helix	trans	-111.9	-8.4	-170.6	-60	-69.5	0	0	0	114.2	T5 H8 Y40 I46	T5-Y44 WeakPolarHBondContact CA-OH 3.38Å; H8-Y44 HydrophobicContact CB-CD2 4.03Å; H8-Y44 HydrophobicContact CB-CE1 4.06Å; H8-Y44 HydrophobicContact CB-CE2 3.44Å; H8-Y44 VanDerWaalsContact CB-CE2 3.44Å; H8-Y44 VanDerWaalsContact CB-CZ 3.44Å; H8-Y44 AromaticContact CD2-CD1 3.28Å; H8-Y44 WeakPolarHBondContact CD2-CD1 3.06Å; H8-Y44 AromaticContact CD2-CD2 3.64Å; H8-Y44 AromaticContact CD2-CE1 3.45Å; H8-Y44 VanDerWaalsContact CD2-CE1 3.45Å; H8-Y44 WeakPolarHBondContact CD2-CE1 3.38Å; H8-Y44 AromaticContact CD2-CE2 3.83Å; H8-Y44 AromaticContact CD2-CG 3.38Å; H8-Y44 AromaticContact CD2-CZ 3.73Å; H8-Y44 AromaticContact CE1-CD1 3.86Å; H8-Y44 AromaticContact CE1-CE1 3.65Å; H8-Y44 AromaticContact CG-CD1 3.78Å; H8-Y44 AromaticContact CG-CD2 3.97Å; H8-Y44 AromaticContact CG-CE1 3.41Å; H8-Y44 VanDerWaalsContact CG-CE1 3.41Å; H8-Y44 AromaticContact CG-CE2 3.66Å; H8-Y44 AromaticContact CG-CZ 3.34Å; H8-Y44 AromaticContact ND1-CE1 3.53Å; H8-Y44 AromaticContact ND1-CZ 3.77Å; H8-Y44 AromaticContact NE2-CD1 3.33Å; H8-Y44 VanDerWaalsContact NE2-CD1 3.33Å; H8-Y44 WeakPolarHBondContact NE2-CD1 3.06Å; H8-Y44 AromaticContact NE2-CE1 3.59Å; H8-Y44 AromaticContact NE2-CG 3.84Å; Y40-Y44 HydrophobicContact CD1-CD2 4.26Å; Y40-Y44 AromaticContact CD2-CD2 3.94Å; Y40-Y44 HydrophobicContact CD2-CD2 3.94Å; Y40-Y44 HydrophobicContact CD2-CE2 4.16Å; Y40-Y44 HydrophobicContact CE1-CD2 4.34Å; Y40-Y44 HydrophobicContact CE2-CD2 4.02Å; Y40-Y44 HydrophobicContact CE2-CE2 4.24Å; Y40-Y44 HydrophobicContact CG-CD2 4.06Å; Y40-Y44 WeakPolarHBondContact O-CD2 3.45Å; Y40-Y44 PolarHBondContact O-N 3.46Å; Y44-I46 PolarHBondContact O-N 3.42Å
45	G	96.4	Very high	94.6	Very high	69 Å²	69	56.1 Å²	56.1	71%	0.711	30%	0.296	S	S	*	.	S	Bend	trans	75.3	0.5	178.9	0	0	0	0	0	115.1	K41	K41-G45 WeakPolarHBondContact O-CA 3.32Å; K41-G45 PolarHBondContact O-N 3.44Å
46	I	94.9	Very high	94.7	Very high	48 Å²	48	52.7 Å²	52.7	25%	0.246	27%	0.274	C	S	.	.	S	Bend	trans	-123	147.1	177.4	-176.3	164.7	0	0	0	109.7	Y40 K41 Y44 D50	Y40-I46 WeakPolarHBondContact CD1-O 3.44Å; Y40-I46 HydrophobicContact CE1-CG2 4.03Å; K41-I46 VanDerWaalsContact CA-O 3.31Å; K41-I46 WeakPolarHBondContact CA-O 3.16Å; Y44-I46 PolarHBondContact O-N 3.42Å; I46-D50 HydrophobicContact CD1-CB 3.96Å; I46-D50 HydrophobicContact CG1-CB 3.8Å
47	Y	93.1	Very high	94.6	Very high	102 Å²	102	60.8 Å²	60.8	40%	0.4	31%	0.305	S	S	.	.			trans	-74.5	144.8	175	-68.5	-89.4	0	0	0	110.7	K41 S49 D50 D51	K41-Y47 HydrophobicContact CB-CD1 4.39Å; K41-Y47 HydrophobicContact CD-CD1 3.8Å; K41-Y47 HydrophobicContact CD-CE1 3.41Å; K41-Y47 VanDerWaalsContact CD-CE1 3.41Å; K41-Y47 HydrophobicContact CD-CE2 4.28Å; K41-Y47 HydrophobicContact CD-CG 4.41Å; K41-Y47 WeakPolarHBondContact CE-OH 3.35Å; K41-Y47 HydrophobicContact CG-CD1 4.12Å; K41-Y47 HydrophobicContact CG-CE1 4.22Å; K41-Y47 HydrophobicContact CG-CG 4.39Å; K41-Y47 PolarHBondContact NZ-OH 2.94Å; Y47-S49 WeakPolarHBondContact CB-OG 3.25Å; Y47-S49 PolarHBondContact O-N 3.47Å; Y47-D50 WeakPolarHBondContact O-CB 3.46Å; Y47-D50 PolarHBondContact O-N 3.24Å; Y47-D51 PolarHBondContact O-N 2.88Å
48	L	95.2	Very high	94.7	Very high	0 Å²	0	62.5 Å²	62.5	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-60.5	-31.6	174.6	178.2	54.9	0	0	0	110.7	I7 L11 L25 L33 D37 Y40 D50 D51 V52 L68	I7-L48 HydrophobicContact CD1-CD2 4.33Å; I7-L48 HydrophobicContact CG2-CD1 3.48Å; I7-L48 VanDerWaalsContact CG2-CD1 3.48Å; I7-L48 HydrophobicContact CG2-CD2 4.36Å; L11-L48 HydrophobicContact CD1-CD1 3.67Å; L25-L48 HydrophobicContact CD2-CD2 3.99Å; L33-L48 HydrophobicContact CD1-CD2 4.26Å; D37-L48 HydrophobicContact CB-CB 4.48Å; D37-L48 VanDerWaalsContact OD1-CB 3.24Å; D37-L48 WeakPolarHBondContact OD1-CB 3.13Å; D37-L48 PolarHBondContact OD1-N 3.06Å; D37-L48 VanDerWaalsContact OD1-N 3.1Å; Y40-L48 HydrophobicContact CD1-CB 3.86Å; Y40-L48 HydrophobicContact CD2-CD1 4.28Å; Y40-L48 HydrophobicContact CE1-CB 4.23Å; Y40-L48 HydrophobicContact CE1-CD1 4.35Å; Y40-L48 HydrophobicContact CE2-CD1 4Å; Y40-L48 HydrophobicContact CG-CB 4.02Å; L48-D50 PolarHBondContact O-N 3.45Å; L48-D51 PolarHBondContact O-N 3.17Å; L48-V52 HydrophobicContact CD1-CG2 4.23Å; L48-V52 HydrophobicContact CG-CG2 4.34Å; L48-V52 WeakPolarHBondContact O-CB 3.3Å; L48-V52 VanDerWaalsContact O-CG2 3.29Å; L48-V52 WeakPolarHBondContact O-CG2 3.24Å; L48-V52 PolarHBondContact O-N 2.67Å; L48-L68 HydrophobicContact CB-CD2 4.39Å; L48-L68 HydrophobicContact CD2-CD2 3.79Å; L48-L68 HydrophobicContact CG-CD1 4.37Å; L48-L68 HydrophobicContact CG-CD2 4.08Å
49	S	93.1	Very high	94.8	Very high	28 Å²	28	64.9 Å²	64.9	20%	0.196	34%	0.34	C	S	.	.	H	α-helix	trans	-59.4	-32.5	173.7	59.9	0	0	0	0	113.9	Y47 K53 L65	Y47-S49 WeakPolarHBondContact CB-OG 3.25Å; Y47-S49 PolarHBondContact O-N 3.47Å; S49-K53 WeakPolarHBondContact O-CG 3.48Å; S49-K53 PolarHBondContact O-N 3.43Å; S49-L65 VanDerWaalsContact O-CD2 3.25Å; S49-L65 WeakPolarHBondContact O-CD2 3.43Å
50	D	94.1	Very high	94.6	Very high	68 Å²	68	67.1 Å²	67.1	36%	0.364	34%	0.344	S	S	.	.	H	α-helix	trans	-75.4	-41	-179.3	-62.5	-32.2	0	0	0	110.6	I46 Y47 L48 K53 R54	I46-D50 HydrophobicContact CD1-CB 3.96Å; I46-D50 HydrophobicContact CG1-CB 3.8Å; Y47-D50 WeakPolarHBondContact O-CB 3.46Å; Y47-D50 PolarHBondContact O-N 3.24Å; L48-D50 PolarHBondContact O-N 3.45Å; D50-K53 WeakPolarHBondContact O-CB 3.38Å; D50-K53 PolarHBondContact O-N 3.45Å; D50-R54 PolarHBondContact O-N 2.76Å; D50-R54 VanDerWaalsContact O-N 3.09Å
51	D	95.4	Very high	94.4	Very high	1 Å²	1	67.4 Å²	67.4	1%	0.005	35%	0.346	C	S	.	.	H	α-helix	trans	-67.3	-37.5	173.1	-74.6	-41.9	0	0	0	112	L11 Y12 Y40 Y47 L48 K53 R54 I55	L11-D51 HydrophobicContact CD1-CB 3.86Å; Y12-D51 PolarHBondContact OH-OD1 2.98Å; Y40-D51 WeakPolarHBondContact CE1-OD2 3.34Å; Y40-D51 PolarHBondContact OH-OD2 3.34Å; Y47-D51 PolarHBondContact O-N 2.88Å; L48-D51 PolarHBondContact O-N 3.17Å; D51-K53 VanDerWaalsContact C-N 3.34Å; D51-K53 PolarHBondContact O-N 3.18Å; D51-R54 WeakPolarHBondContact O-CB 3.36Å; D51-R54 PolarHBondContact O-N 3.2Å; D51-R54 VanDerWaalsContact O-N 3.09Å; D51-R54 IonicContact OD1-CZ 3.15Å; D51-R54 IonicContact OD1-NH1 2.74Å; D51-R54 PolarHBondContact OD1-NH1 3.1Å; D51-R54 IonicContact OD1-NH2 3.3Å; D51-R54 PolarHBondContact OD1-NH2 2.95Å; D51-I55 WeakPolarHBondContact O-CG1 3.37Å; D51-I55 PolarHBondContact O-N 3.43Å
52	V	94	Very high	94.3	Very high	0 Å²	0	67.7 Å²	67.7	0%	0	35%	0.352	C	S	.	.	H	α-helix	trans	-61.1	-43.1	173	169.2	0	0	0	0	110.8	L25 L48 R54 I55 Y56 L64 L65 L68	L25-V52 HydrophobicContact CD1-CG2 3.77Å; L48-V52 HydrophobicContact CD1-CG2 4.23Å; L48-V52 HydrophobicContact CG-CG2 4.34Å; L48-V52 WeakPolarHBondContact O-CB 3.3Å; L48-V52 VanDerWaalsContact O-CG2 3.29Å; L48-V52 WeakPolarHBondContact O-CG2 3.24Å; L48-V52 PolarHBondContact O-N 2.67Å; V52-R54 PolarHBondContact O-N 2.69Å; V52-I55 PolarHBondContact O-N 2.73Å; V52-Y56 HydrophobicContact CG1-CD2 3.83Å; V52-Y56 HydrophobicContact CG1-CE2 4.37Å; V52-Y56 WeakPolarHBondContact O-CD2 3.31Å; V52-Y56 PolarHBondContact O-N 2.88Å; V52-L64 HydrophobicContact CG1-CB 3.94Å; V52-L64 HydrophobicContact CG1-CD1 4.28Å; V52-L65 HydrophobicContact CB-CD2 4.34Å; V52-L65 HydrophobicContact CG1-CD2 4.12Å; V52-L65 HydrophobicContact CG1-CG 4.4Å; V52-L68 HydrophobicContact CB-CD1 4.4Å; V52-L68 HydrophobicContact CG2-CD1 4.09Å
53	K	94	Very high	94.1	Very high	118 Å²	118	65.9 Å²	65.9	51%	0.513	34%	0.337	S	S	.	.	H	α-helix	trans	-62	-27.3	173.7	-82	175.5	-179.2	179.8	0	113.9	S49 D50 D51 L65	S49-K53 WeakPolarHBondContact O-CG 3.48Å; S49-K53 PolarHBondContact O-N 3.43Å; D50-K53 WeakPolarHBondContact O-CB 3.38Å; D50-K53 PolarHBondContact O-N 3.45Å; D51-K53 VanDerWaalsContact C-N 3.34Å; D51-K53 PolarHBondContact O-N 3.18Å; K53-L65 HydrophobicContact CD-CD1 4.08Å; K53-L65 HydrophobicContact CD-CD2 4.4Å; K53-L65 HydrophobicContact CG-CD1 3.51Å; K53-L65 HydrophobicContact CG-CD2 3.85Å; K53-L65 HydrophobicContact CG-CG 4.24Å
54	R	94.2	Very high	94	Very high	97 Å²	97	61.2 Å²	61.2	37%	0.366	32%	0.317	S	S	.	.	H	α-helix	trans	-70.8	-36.9	177.7	-174.1	178	70.6	-148.1	1.5	111.8	L11 Y12 D50 D51 V52 Y57	L11-R54 PolarHBondContact O-NH2 3.4Å; Y12-R54 PolarHBondContact OH-NH1 3.31Å; D50-R54 PolarHBondContact O-N 2.76Å; D50-R54 VanDerWaalsContact O-N 3.09Å; D51-R54 WeakPolarHBondContact O-CB 3.36Å; D51-R54 PolarHBondContact O-N 3.2Å; D51-R54 VanDerWaalsContact O-N 3.09Å; D51-R54 IonicContact OD1-CZ 3.15Å; D51-R54 IonicContact OD1-NH1 2.74Å; D51-R54 PolarHBondContact OD1-NH1 3.1Å; D51-R54 IonicContact OD1-NH2 3.3Å; D51-R54 PolarHBondContact OD1-NH2 2.95Å; V52-R54 PolarHBondContact O-N 2.69Å; R54-Y57 PolarHBondContact O-OH 3.4Å
55	I	93.2	Very high	93.9	Very high	29 Å²	29	58.8 Å²	58.8	15%	0.149	31%	0.308	C	S	.	.	H	α-helix	trans	-94	-37.9	-171.5	-58.1	-47.5	0	0	0	112.8	L11 I16 V18 D51 V52 Y57	L11-I55 HydrophobicContact CD2-CG1 3.75Å; I16-I55 HydrophobicContact CD1-CD1 3.36Å; I16-I55 HydrophobicContact CD1-CG1 4.16Å; V18-I55 HydrophobicContact CG1-CG2 4.37Å; V18-I55 HydrophobicContact CG2-CG2 3.99Å; D51-I55 WeakPolarHBondContact O-CG1 3.37Å; D51-I55 PolarHBondContact O-N 3.43Å; V52-I55 PolarHBondContact O-N 2.73Å; I55-Y57 WeakPolarHBondContact O-CE2 3.3Å
56	Y	93.7	Very high	93.7	Very high	10 Å²	10	62.6 Å²	62.6	4%	0.039	31%	0.305	C	S	.	.			trans	-106	152.2	-176.1	-58.4	-87.8	0	0	0	111.3	V18 V21 Q22 V52 Y60 A61 L64	V18-Y56 HydrophobicContact CG1-CD1 3.97Å; V18-Y56 HydrophobicContact CG1-CE1 3.23Å; V18-Y56 PolarHBondContact O-OH 3.28Å; V21-Y56 WeakPolarHBondContact CB-OH 3.46Å; V21-Y56 HydrophobicContact CG1-CE2 4.27Å; Q22-Y56 HydrophobicContact CB-CE1 4.46Å; Q22-Y56 PolarHBondContact N-OH 2.96Å; Q22-Y56 VanDerWaalsContact N-OH 3.07Å; V52-Y56 HydrophobicContact CG1-CD2 3.83Å; V52-Y56 HydrophobicContact CG1-CE2 4.37Å; V52-Y56 WeakPolarHBondContact O-CD2 3.31Å; V52-Y56 PolarHBondContact O-N 2.88Å; Y56-Y60 AromaticContact CD1-CD1 3.59Å; Y56-Y60 HydrophobicContact CD1-CD1 3.59Å; Y56-Y60 AromaticContact CD1-CE1 3.38Å; Y56-Y60 HydrophobicContact CD1-CE1 3.38Å; Y56-Y60 HydrophobicContact CE1-CD1 4.31Å; Y56-Y60 AromaticContact CE1-CE1 3.64Å; Y56-Y60 HydrophobicContact CE1-CE1 3.64Å; Y56-Y60 HydrophobicContact CG-CD1 4.28Å; Y56-Y60 HydrophobicContact CG-CE1 4.29Å; Y56-A61 WeakPolarHBondContact O-CB 3.46Å; Y56-L64 HydrophobicContact CD1-CD1 3.78Å; Y56-L64 HydrophobicContact CD2-CD1 3.71Å; Y56-L64 HydrophobicContact CE1-CD1 3.76Å; Y56-L64 HydrophobicContact CE2-CD1 3.76Å; Y56-L64 HydrophobicContact CG-CD1 3.71Å
57	Y	93.4	Very high	93.6	Very high	178 Å²	178	63.3 Å²	63.3	70%	0.698	31%	0.309	S	S	*	.			trans	-131.2	159.2	-177.5	-53.4	-75.8	0	0	0	112.9	R54 I55 A61	R54-Y57 PolarHBondContact O-OH 3.4Å; I55-Y57 WeakPolarHBondContact O-CE2 3.3Å; Y57-A61 PolarHBondContact O-N 3.14Å
58	G	95	Very high	93.5	Very high	54 Å²	54	58.9 Å²	58.9	56%	0.557	29%	0.292	S	S	*	.	H	α-helix	trans	63.2	-154.2	174.9	0	0	0	0	0	114	Y60 A61 D62	G58-Y60 PolarHBondContact O-N 3.33Å; G58-A61 WeakPolarHBondContact O-CB 3.34Å; G58-A61 PolarHBondContact O-N 3.22Å; G58-D62 PolarHBondContact O-N 3.39Å
59	E	93.5	Very high	93	Very high	174 Å²	174	66.1 Å²	66.1	81%	0.813	32%	0.324	S	S	*	.	H	α-helix	trans	-56.7	-27.9	-178.1	-58	-174.4	134.2	0	0	112.7	D62 A63	E59-D62 PolarHBondContact O-N 2.98Å; E59-A63 PolarHBondContact O-N 3.25Å
60	Y	89.7	Confident	91.9	Very high	95 Å²	95	70.9 Å²	70.9	37%	0.373	34%	0.341	S	S	.	.	H	α-helix	trans	-67.3	-44.4	177.7	-168.8	-93.3	0	0	0	112.1	Q22 Y56 G58 D62 A63 L64	Q22-Y60 WeakPolarHBondContact CG-OH 3.36Å; Q22-Y60 PolarHBondContact NE2-OH 3.46Å; Q22-Y60 PolarHBondContact OE1-OH 3.01Å; Y56-Y60 AromaticContact CD1-CD1 3.59Å; Y56-Y60 HydrophobicContact CD1-CD1 3.59Å; Y56-Y60 AromaticContact CD1-CE1 3.38Å; Y56-Y60 HydrophobicContact CD1-CE1 3.38Å; Y56-Y60 HydrophobicContact CE1-CD1 4.31Å; Y56-Y60 AromaticContact CE1-CE1 3.64Å; Y56-Y60 HydrophobicContact CE1-CE1 3.64Å; Y56-Y60 HydrophobicContact CG-CD1 4.28Å; Y56-Y60 HydrophobicContact CG-CE1 4.29Å; G58-Y60 PolarHBondContact O-N 3.33Å; Y60-D62 VanDerWaalsContact C-N 3.32Å; Y60-A63 PolarHBondContact O-N 2.94Å; Y60-L64 HydrophobicContact CD1-CD1 4.24Å; Y60-L64 HydrophobicContact CE1-CD1 3.57Å; Y60-L64 HydrophobicContact CE1-CG 4.09Å; Y60-L64 PolarHBondContact O-N 3.08Å
61	A	93.4	Very high	90.4	Very high	6 Å²	6	75.8 Å²	75.8	5%	0.05	36%	0.361	C	S	.	.	H	α-helix	trans	-61.7	-43.9	172.1	0	0	0	0	0	111	Y56 Y57 G58 A63 L64 L65	Y56-A61 WeakPolarHBondContact O-CB 3.46Å; Y57-A61 PolarHBondContact O-N 3.14Å; G58-A61 WeakPolarHBondContact O-CB 3.34Å; G58-A61 PolarHBondContact O-N 3.22Å; A61-A63 VanDerWaalsContact C-N 3.29Å; A61-A63 PolarHBondContact O-N 3.32Å; A61-L64 PolarHBondContact O-N 3.25Å; A61-L65 WeakPolarHBondContact O-CB 3.41Å; A61-L65 WeakPolarHBondContact O-CD1 3.32Å; A61-L65 WeakPolarHBondContact O-CG 3.39Å; A61-L65 PolarHBondContact O-N 2.86Å
62	D	94.1	Very high	88.5	Confident	91 Å²	91	83.7 Å²	83.7	49%	0.487	40%	0.399	S	S	.	.	H	α-helix	trans	-60.4	-38.9	-179.8	-68.7	-29.2	0	0	0	112.4	G58 E59 Y60 L65 K66	G58-D62 PolarHBondContact O-N 3.39Å; E59-D62 PolarHBondContact O-N 2.98Å; Y60-D62 VanDerWaalsContact C-N 3.32Å; D62-L65 PolarHBondContact O-N 3.08Å; D62-K66 VanDerWaalsContact O-CG 3.32Å; D62-K66 WeakPolarHBondContact O-CG 3.4Å; D62-K66 PolarHBondContact O-N 3.16Å
63	A	92.8	Very high	86.7	Confident	51 Å²	51	88.3 Å²	88.3	42%	0.421	42%	0.422	S	S	.	.	H	α-helix	trans	-62.6	-47.5	174.3	0	0	0	0	0	112.1	E59 Y60 A61 L65 K66 L67	E59-A63 PolarHBondContact O-N 3.25Å; Y60-A63 PolarHBondContact O-N 2.94Å; A61-A63 VanDerWaalsContact C-N 3.29Å; A61-A63 PolarHBondContact O-N 3.32Å; A63-L65 VanDerWaalsContact C-N 3.34Å; A63-L65 PolarHBondContact O-N 3.48Å; A63-K66 WeakPolarHBondContact O-CB 3.49Å; A63-K66 PolarHBondContact O-N 3.46Å; A63-L67 PolarHBondContact O-N 3.43Å
64	L	94	Very high	84.7	Confident	4 Å²	4	86.1 Å²	86.1	2%	0.021	42%	0.42	C	S	.	.	H	α-helix	trans	-64.3	-38.2	177.6	-69.1	179.8	0	0	0	112.4	L25 V52 Y56 Y60 A61 K66 L67 L68	L25-L64 HydrophobicContact CB-CD2 4.4Å; L25-L64 HydrophobicContact CD1-CB 4.49Å; L25-L64 HydrophobicContact CD1-CD1 4.13Å; L25-L64 HydrophobicContact CD1-CD2 4.19Å; V52-L64 HydrophobicContact CG1-CB 3.94Å; V52-L64 HydrophobicContact CG1-CD1 4.28Å; Y56-L64 HydrophobicContact CD1-CD1 3.78Å; Y56-L64 HydrophobicContact CD2-CD1 3.71Å; Y56-L64 HydrophobicContact CE1-CD1 3.76Å; Y56-L64 HydrophobicContact CE2-CD1 3.76Å; Y56-L64 HydrophobicContact CG-CD1 3.71Å; Y60-L64 HydrophobicContact CD1-CD1 4.24Å; Y60-L64 HydrophobicContact CE1-CD1 3.57Å; Y60-L64 HydrophobicContact CE1-CG 4.09Å; Y60-L64 PolarHBondContact O-N 3.08Å; A61-L64 PolarHBondContact O-N 3.25Å; L64-K66 VanDerWaalsContact C-N 3.28Å; L64-K66 PolarHBondContact O-N 3.24Å; L64-L67 HydrophobicContact CD2-CD1 4.02Å; L64-L67 WeakPolarHBondContact O-CB 3.1Å; L64-L67 PolarHBondContact O-N 3.17Å; L64-L67 VanDerWaalsContact O-N 3.14Å; L64-L68 PolarHBondContact O-N 2.95Å
65	L	93.8	Very high	83	Confident	12 Å²	12	87.4 Å²	87.4	6%	0.063	43%	0.434	C	S	.	.	H	α-helix	trans	-67.4	-30	177.6	-67	165.3	0	0	0	112.5	S49 V52 K53 A61 D62 A63 L67 L68 K69	S49-L65 VanDerWaalsContact O-CD2 3.25Å; S49-L65 WeakPolarHBondContact O-CD2 3.43Å; V52-L65 HydrophobicContact CB-CD2 4.34Å; V52-L65 HydrophobicContact CG1-CD2 4.12Å; V52-L65 HydrophobicContact CG1-CG 4.4Å; K53-L65 HydrophobicContact CD-CD1 4.08Å; K53-L65 HydrophobicContact CD-CD2 4.4Å; K53-L65 HydrophobicContact CG-CD1 3.51Å; K53-L65 HydrophobicContact CG-CD2 3.85Å; K53-L65 HydrophobicContact CG-CG 4.24Å; A61-L65 WeakPolarHBondContact O-CB 3.41Å; A61-L65 WeakPolarHBondContact O-CD1 3.32Å; A61-L65 WeakPolarHBondContact O-CG 3.39Å; A61-L65 PolarHBondContact O-N 2.86Å; D62-L65 PolarHBondContact O-N 3.08Å; A63-L65 VanDerWaalsContact C-N 3.34Å; A63-L65 PolarHBondContact O-N 3.48Å; L65-L67 VanDerWaalsContact C-N 3.3Å; L65-L68 HydrophobicContact CD2-CD1 4.4Å; L65-L68 PolarHBondContact O-N 3.42Å; L65-K69 WeakPolarHBondContact O-CG 3.39Å; L65-K69 PolarHBondContact O-N 2.84Å
66	K	92.5	Very high	81.2	Confident	149 Å²	149	91.9 Å²	91.9	65%	0.648	46%	0.457	S	S	*	.	H	α-helix	trans	-64.8	-34.4	171.8	-74.7	171.1	-177.4	178.1	0	111.8	D62 A63 L64 L68 K69	D62-K66 VanDerWaalsContact O-CG 3.32Å; D62-K66 WeakPolarHBondContact O-CG 3.4Å; D62-K66 PolarHBondContact O-N 3.16Å; A63-K66 WeakPolarHBondContact O-CB 3.49Å; A63-K66 PolarHBondContact O-N 3.46Å; L64-K66 VanDerWaalsContact C-N 3.28Å; L64-K66 PolarHBondContact O-N 3.24Å; K66-L68 VanDerWaalsContact C-N 3.27Å; K66-L68 PolarHBondContact O-N 2.91Å; K66-K69 PolarHBondContact O-N 3.06Å; K66-K69 VanDerWaalsContact O-O 3.08Å
67	L	92.3	Very high	79.5	Confident	62 Å²	62	98.5 Å²	98.5	33%	0.325	48%	0.483	S	S	.	.	H	α-helix	trans	-65.2	-31.3	175.5	-57.3	173.9	0	0	0	112.8	L26 L33 A63 L64 L65	L26-L67 HydrophobicContact CD2-CD1 3.67Å; L26-L67 HydrophobicContact CG-CD1 4.45Å; L33-L67 HydrophobicContact CD2-CB 4.03Å; A63-L67 PolarHBondContact O-N 3.43Å; L64-L67 HydrophobicContact CD2-CD1 4.02Å; L64-L67 WeakPolarHBondContact O-CB 3.1Å; L64-L67 PolarHBondContact O-N 3.17Å; L64-L67 VanDerWaalsContact O-N 3.14Å; L65-L67 VanDerWaalsContact C-N 3.3Å
68	L	91.2	Very high	77.6	Confident	9 Å²	9	96.1 Å²	96.1	5%	0.047	48%	0.478	C	S	.	.	H	α-helix	trans	-78.4	-24.8	178.1	-70.9	165.6	0	0	0	112.5	L25 L33 D37 L48 V52 L64 L65 K66 K70	L25-L68 HydrophobicContact CD2-CD2 4.47Å; L33-L68 HydrophobicContact CD1-CD2 3.9Å; L33-L68 HydrophobicContact CD2-CD2 3.84Å; L33-L68 HydrophobicContact CD2-CG 4.25Å; L33-L68 HydrophobicContact CG-CD2 3.73Å; D37-L68 HydrophobicContact CB-CD2 4.23Å; L48-L68 HydrophobicContact CB-CD2 4.39Å; L48-L68 HydrophobicContact CD2-CD2 3.79Å; L48-L68 HydrophobicContact CG-CD1 4.37Å; L48-L68 HydrophobicContact CG-CD2 4.08Å; V52-L68 HydrophobicContact CB-CD1 4.4Å; V52-L68 HydrophobicContact CG2-CD1 4.09Å; L64-L68 PolarHBondContact O-N 2.95Å; L65-L68 HydrophobicContact CD2-CD1 4.4Å; L65-L68 PolarHBondContact O-N 3.42Å; K66-L68 VanDerWaalsContact C-N 3.27Å; K66-L68 PolarHBondContact O-N 2.91Å; L68-K70 PolarHBondContact O-N 3.23Å
69	K	84.5	Confident	75.8	Confident	152 Å²	152	102.2 Å²	102.2	66%	0.661	49%	0.492	S	S	*	.	S	Bend	trans	-77.6	119.6	173.5	-69.5	176.7	-178.4	-177.4	0	108.3	L65 K66 E71	L65-K69 WeakPolarHBondContact O-CG 3.39Å; L65-K69 PolarHBondContact O-N 2.84Å; K66-K69 PolarHBondContact O-N 3.06Å; K66-K69 VanDerWaalsContact O-O 3.08Å; K69-E71 PolarHBondContact O-N 3.03Å
70	K	70.8	Confident	74	Confident	129 Å²	129	97.8 Å²	97.8	56%	0.561	48%	0.48	S	S	*	.			trans	-67	118.6	168	-174.1	179.8	177.5	-166.3	0	107.4	L68 E72	L68-K70 PolarHBondContact O-N 3.23Å; K70-E72 PolarHBondContact O-N 2.98Å; K70-E72 VanDerWaalsContact O-N 3.11Å
71	E	62	Low	72.5	Confident	170 Å²	170	99.2 Å²	99.2	79%	0.794	49%	0.493	S	S	*	.			trans	-63.5	109.8	153.8	-75.1	-169.5	164	0	0	105.8	K69 I73	K69-E71 PolarHBondContact O-N 3.03Å; E71-I73 PolarHBondContact O-N 2.78Å
72	E	55.9	Low	70.5	Confident	168 Å²	168	104.5 Å²	104.5	79%	0.785	53%	0.527	S	S	*	.			trans	-63.3	88.7	164.9	-67.8	-176	171.9	0	0	106.2	K70 P74	K70-E72 PolarHBondContact O-N 2.98Å; K70-E72 VanDerWaalsContact O-N 3.11Å; E72-P74 WeakPolarHBondContact O-CD 3.31Å
73	I	56	Low	68.4	Low	97 Å²	97	107.8 Å²	107.8	50%	0.497	54%	0.543	S	S	.	.			trans	-58.8	113.8	164	-59.4	176.4	0	0	0	104.2	E71 D75 Y77	E71-I73 PolarHBondContact O-N 2.78Å; I73-D75 PolarHBondContact O-N 3.11Å; I73-Y77 HydrophobicContact CG2-CD2 3.53Å; I73-Y77 HydrophobicContact CG2-CG 3.97Å
74	P	52.3	Low	66.4	Low	72 Å²	72	110.8 Å²	110.8	47%	0.468	56%	0.559	S	S	.	*			trans	-56.9	139.7	177.7	20.9	-29	0	0	0	108.2	E72 I76 Y77	E72-P74 WeakPolarHBondContact O-CD 3.31Å; P74-I76 HydrophobicContact CB-CD1 4.12Å; P74-I76 HydrophobicContact CB-CG1 4.21Å; P74-I76 HydrophobicContact CG-CD1 4.39Å; P74-I76 PolarHBondContact O-N 3.04Å; P74-Y77 HydrophobicContact CG-CD2 4.38Å; P74-Y77 HydrophobicContact CG-CE2 4.25Å; P74-Y77 PolarHBondContact O-N 2.74Å; P74-Y77 VanDerWaalsContact O-N 3.16Å
75	D	58.7	Low	64.2	Low	123 Å²	123	118 Å²	118	66%	0.658	60%	0.596	S	S	*	*	G	3₁₀ helix	trans	-49.9	-16.3	-171.4	-64.4	-31.4	0	0	0	114.5	I73 Y77 Q78	I73-D75 PolarHBondContact O-N 3.11Å; D75-Y77 PolarHBondContact O-N 3.05Å; D75-Q78 PolarHBondContact O-N 3.2Å
76	I	56.5	Low	62.4	Low	124 Å²	124	122.8 Å²	122.8	64%	0.636	63%	0.628	S	S	*	*	G	3₁₀ helix	trans	-47.4	-29.4	172.7	-47.7	173.3	0	0	0	113	P74 S80	P74-I76 HydrophobicContact CB-CD1 4.12Å; P74-I76 HydrophobicContact CB-CG1 4.21Å; P74-I76 HydrophobicContact CG-CD1 4.39Å; P74-I76 PolarHBondContact O-N 3.04Å; I76-S80 PolarHBondContact O-OG 2.9Å
77	Y	57.4	Low	60.1	Low	148 Å²	148	123.6 Å²	123.6	58%	0.58	64%	0.639	S	S	*	*	G	3₁₀ helix	trans	-98.7	-10.1	178.5	-59.2	-79.1	0	0	0	114.8	I73 P74 D75 H79	I73-Y77 HydrophobicContact CG2-CD2 3.53Å; I73-Y77 HydrophobicContact CG2-CG 3.97Å; P74-Y77 HydrophobicContact CG-CD2 4.38Å; P74-Y77 HydrophobicContact CG-CE2 4.25Å; P74-Y77 PolarHBondContact O-N 2.74Å; P74-Y77 VanDerWaalsContact O-N 3.16Å; D75-Y77 PolarHBondContact O-N 3.05Å; Y77-H79 VanDerWaalsContact C-N 3.29Å; Y77-H79 PolarHBondContact O-N 3.39Å
78	Q	53.4	Low	58	Low	128 Å²	128	128.2 Å²	128.2	60%	0.598	66%	0.663	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78	-11.2	-176.9	-65.6	-157.6	-37.8	0	0	114	D75	D75-Q78 PolarHBondContact O-N 3.2Å
79	H	57.1	Low	55.9	Low	182 Å²	182	134.9 Å²	134.9	84%	0.843	70%	0.698	S	S	*	*	T	Hydrogen-bonded Turn	trans	-123.6	11.2	-177.5	-72.8	-22	0	0	0	114.8	Y77	Y77-H79 VanDerWaalsContact C-N 3.29Å; Y77-H79 PolarHBondContact O-N 3.39Å
80	S	56.1	Low	54.2	Low	81 Å²	81	136.6 Å²	136.6	57%	0.566	71%	0.708	S	S	*	*	S	Bend	trans	-124	5.4	-162.1	-49.8	0	0	0	0	115.7	I76	I76-S80 PolarHBondContact O-OG 2.9Å
81	I	57.4	Low	53.2	Low	126 Å²	126	135.3 Å²	135.3	65%	0.646	72%	0.722	S	S	*	*			trans	-129.1	105.5	178	-50	-176.6	0	0	0	110.1	L83	I81-L83 PolarHBondContact O-N 3.39Å
82	P	52.1	Low	53	Low	117 Å²	117	134.4 Å²	134.4	76%	0.76	72%	0.721	S	S	*	*			trans	-64.8	115	159.5	0.5	15.1	0	0	0	106.6	P84	P82-P84 VanDerWaalsContact O-CD 3.31Å; P82-P84 WeakPolarHBondContact O-CD 3.14Å
83	L	50.1	Low	52.7	Low	159 Å²	159	135.1 Å²	135.1	83%	0.832	72%	0.724	S	S	*	*			trans	-57.5	120.9	167.6	-94.3	121.5	0	0	0	107.7	I81 L85	I81-L83 PolarHBondContact O-N 3.39Å; L83-L85 PolarHBondContact O-N 2.94Å
84	P	49.3	Very low	52.9	Low	114 Å²	114	139.6 Å²	139.6	74%	0.74	76%	0.759	S	S	*	*			trans	-66.4	112.2	166.5	27.5	-27.7	0	0	0	106.3	P82	P82-P84 VanDerWaalsContact O-CD 3.31Å; P82-P84 WeakPolarHBondContact O-CD 3.14Å
85	L	49.3	Very low	52.9	Low	156 Å²	156	143 Å²	143	82%	0.817	77%	0.774	S	S	*	*			trans	-51.2	126.6	170.7	-171.2	70.2	0	0	0	107.6	L83 L87	L83-L85 PolarHBondContact O-N 2.94Å; L85-L87 PolarHBondContact O-N 3.03Å
86	P	56.1	Low	52.6	Low	113 Å²	113	144.1 Å²	144.1	73%	0.734	78%	0.78	S	S	*	*			trans	-56	114.8	-179.5	-22.5	30.9	0	0	0	110.4	L88	P86-L88 PolarHBondContact O-N 3.16Å
87	L	43.4	Very low	52.4	Low	165 Å²	165	145.2 Å²	145.2	86%	0.864	79%	0.788	S	S	*	*			trans	-60.1	95	165.7	-81.9	158.4	0	0	0	108.3	L85	L85-L87 PolarHBondContact O-N 3.03Å
88	L	49.1	Very low	52.1	Low	160 Å²	160	145 Å²	145	84%	0.838	80%	0.8	S	S	*	*			trans	-167.3	139.5	149.5	-80.9	-161.1	0	0	0	110.4	P86	P86-L88 PolarHBondContact O-N 3.16Å
89	L	46.2	Very low	52	Low	149 Å²	149	146.1 Å²	146.1	78%	0.78	81%	0.813	S	S	*	*	S	Bend	trans	97.7	52.1	167.2	-49	-178.5	0	0	0	118.1
90	H	48.2	Very low	51.7	Low	187 Å²	187	143.7 Å²	143.7	87%	0.866	81%	0.811	S	S	*	*			trans	-149.3	66	135.3	-80.3	-58.6	0	0	0	109.3	I92	H90-I92 PolarHBondContact O-N 2.72Å; H90-I92 VanDerWaalsContact O-N 3.08Å
91	A	51.3	Low	51.4	Low	103 Å²	103	148.1 Å²	148.1	85%	0.851	83%	0.829	S	S	*	*			trans	-74.5	78.3	158.1	0	0	0	0	0	108.2
92	I	57.1	Low	50.9	Low	151 Å²	151	149.8 Å²	149.8	77%	0.774	84%	0.843	S	S	*	*			trans	-146.3	87.4	160.1	-51.8	179.1	0	0	0	106.5	H90	H90-I92 PolarHBondContact O-N 2.72Å; H90-I92 VanDerWaalsContact O-N 3.08Å
93	E	49.7	Very low	50.8	Low	182 Å²	182	152.6 Å²	152.6	85%	0.85	85%	0.849	S	S	*	*			trans	-113.4	155.2	153	-87.2	-153.1	166.1	0	0	106.5
94	P	59.9	Low	50.9	Low	192 Å²	192	152 Å²	152	100%	1.247	85%	0.851	S	S	*	*			cis	-107.2	0	21.6	39.4	-32.5	0	0	0	116.2

Retrieved 94 of 94 residues in 62.4 ms (Link to these results)

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