G4VR24_SCHMA Loading...

Tegumental antigen

AlphaFold DB , UniProt , Accession G4VR24, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 186 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	88.4	Confident	91.2	Very high	91 Å²	91	52.9 Å²	52.9	45%	0.448	25%	0.246	S	C	.	.				0	-58	0	-166.7	60	-105	0	0	110.1	K3 L4 I5 F58 F62 I64 P160	M1-K3 VanDerWaalsContact C-N 3.34Å; M1-K3 PolarHBondContact O-N 3.16Å; M1-K3 VanDerWaalsContact O-N 3.17Å; M1-L4 HydrophobicContact CE-CB 3.78Å; M1-L4 HydrophobicContact CE-CD1 3.81Å; M1-L4 HydrophobicContact CE-CG 4.25Å; M1-L4 WeakPolarHBondContact O-CB 3.24Å; M1-L4 PolarHBondContact O-N 2.79Å; M1-I5 HydrophobicContact CE-CD1 4.43Å; M1-I5 HydrophobicContact CE-CG1 4.03Å; M1-I5 HydrophobicContact CG-CD1 4.19Å; M1-I5 PolarHBondContact O-N 2.76Å; M1-F58 HydrophobicContact CE-CZ 4.32Å; M1-F62 HydrophobicContact CE-CB 3.73Å; M1-F62 HydrophobicContact CE-CD1 4.14Å; M1-F62 HydrophobicContact CE-CD2 4.31Å; M1-F62 HydrophobicContact CE-CG 3.8Å; M1-F62 HydrophobicContact SD-CB 3.84Å; M1-F62 HydrophobicContact SD-CD1 4.31Å; M1-F62 HydrophobicContact SD-CG 4.27Å; M1-I64 HydrophobicContact CE-CD1 3.36Å; M1-I64 HydrophobicContact CE-CG1 4.18Å; M1-I64 HydrophobicContact CG-CD1 4.36Å; M1-I64 HydrophobicContact CG-CG1 4.45Å; M1-I64 HydrophobicContact SD-CD1 4.01Å; M1-I64 HydrophobicContact SD-CG1 4.18Å; M1-P160 HydrophobicContact CB-CG 4Å; M1-P160 HydrophobicContact CG-CG 3.62Å
2	E	90.6	Very high	91.2	Very high	46 Å²	46	48.8 Å²	48.8	22%	0.215	23%	0.228	C	C	.	.	H	α-helix	trans	-43	-50.6	179.5	-66	168.3	163.9	0	0	114.7	L4 I5 E6 A97 H158 P160 F161	E2-L4 PolarHBondContact O-N 3Å; E2-I5 WeakPolarHBondContact O-CA 3.29Å; E2-I5 WeakPolarHBondContact O-CB 3.46Å; E2-I5 PolarHBondContact O-N 2.91Å; E2-E6 WeakPolarHBondContact O-CG 3.42Å; E2-E6 PolarHBondContact O-N 2.73Å; E2-A97 WeakPolarHBondContact OE1-CB 3.5Å; E2-H158 IonicContact OE1-CD2 2.78Å; E2-H158 IonicContact OE1-NE2 3.58Å; E2-H158 PolarHBondContact OE1-NE2 3.46Å; E2-P160 HydrophobicContact CG-CB 3.9Å; E2-F161 HydrophobicContact CB-CD1 4.26Å; E2-F161 HydrophobicContact CB-CE1 3.7Å; E2-F161 HydrophobicContact CB-CZ 4.29Å; E2-F161 HydrophobicContact CG-CD1 3.79Å; E2-F161 HydrophobicContact CG-CE1 3.73Å; E2-F161 HydrophobicContact CG-CZ 4.42Å; E2-F161 PolarHBondContact OE1-N 2.84Å
3	K	89.1	Confident	90.8	Very high	175 Å²	175	59.3 Å²	59.3	76%	0.761	27%	0.272	S	S	*	.	H	α-helix	trans	-52.4	-33.4	177.1	-65	-173.8	175.8	-173.8	0	114.8	M1 L7	M1-K3 VanDerWaalsContact C-N 3.34Å; M1-K3 PolarHBondContact O-N 3.16Å; M1-K3 VanDerWaalsContact O-N 3.17Å; K3-L7 VanDerWaalsContact O-CB 3.3Å; K3-L7 WeakPolarHBondContact O-CB 3.24Å; K3-L7 PolarHBondContact O-N 3.4Å; K3-L7 VanDerWaalsContact O-N 3.1Å
4	L	90.4	Very high	90.7	Very high	42 Å²	42	62.5 Å²	62.5	22%	0.22	29%	0.292	C	S	.	.	H	α-helix	trans	-76.7	-35.2	177.4	-56.8	177.5	0	0	0	111.2	M1 E2 F8 M37 W41 F58 F62	M1-L4 HydrophobicContact CE-CB 3.78Å; M1-L4 HydrophobicContact CE-CD1 3.81Å; M1-L4 HydrophobicContact CE-CG 4.25Å; M1-L4 WeakPolarHBondContact O-CB 3.24Å; M1-L4 PolarHBondContact O-N 2.79Å; E2-L4 PolarHBondContact O-N 3Å; L4-F8 PolarHBondContact O-N 3.43Å; L4-M37 HydrophobicContact CD2-CE 3.42Å; L4-M37 VanDerWaalsContact CD2-CE 3.42Å; L4-W41 HydrophobicContact CB-CZ2 4Å; L4-W41 HydrophobicContact CD2-CZ2 4.06Å; L4-W41 WeakPolarHBondContact O-CH2 3.34Å; L4-F58 HydrophobicContact CB-CE2 4.31Å; L4-F58 HydrophobicContact CB-CZ 3.93Å; L4-F58 WeakPolarHBondContact O-CZ 3.14Å; L4-F62 HydrophobicContact CD1-CD1 4.07Å; L4-F62 HydrophobicContact CD1-CE1 3.63Å; L4-F62 HydrophobicContact CD1-CE2 4.43Å; L4-F62 HydrophobicContact CD1-CZ 3.85Å
5	I	92.9	Very high	90.5	Very high	0 Å²	0	65.7 Å²	65.7	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-70.1	-44.5	177.4	-56.2	155.9	0	0	0	109.8	M1 E2 L7 F8 F9 F58 I64 M69 P160 F161	M1-I5 HydrophobicContact CE-CD1 4.43Å; M1-I5 HydrophobicContact CE-CG1 4.03Å; M1-I5 HydrophobicContact CG-CD1 4.19Å; M1-I5 PolarHBondContact O-N 2.76Å; E2-I5 WeakPolarHBondContact O-CA 3.29Å; E2-I5 WeakPolarHBondContact O-CB 3.46Å; E2-I5 PolarHBondContact O-N 2.91Å; I5-L7 VanDerWaalsContact C-N 3.28Å; I5-L7 PolarHBondContact O-N 3.07Å; I5-F8 WeakPolarHBondContact O-CB 3.1Å; I5-F8 PolarHBondContact O-N 3.5Å; I5-F8 VanDerWaalsContact O-N 3.1Å; I5-F9 HydrophobicContact CG2-CD2 4.36Å; I5-F9 HydrophobicContact CG2-CE1 3.98Å; I5-F9 HydrophobicContact CG2-CE2 3.79Å; I5-F9 HydrophobicContact CG2-CZ 3.57Å; I5-F9 WeakPolarHBondContact O-CG 3.26Å; I5-F9 PolarHBondContact O-N 2.85Å; I5-F58 HydrophobicContact CB-CE1 4.41Å; I5-F58 HydrophobicContact CG1-CE1 3.95Å; I5-F58 HydrophobicContact CG1-CZ 4.31Å; I5-I64 HydrophobicContact CD1-CD1 3.93Å; I5-I64 HydrophobicContact CD1-CG2 4.2Å; I5-I64 HydrophobicContact CG1-CD1 3.62Å; I5-M69 HydrophobicContact CD1-SD 3.69Å; I5-M69 HydrophobicContact CG1-SD 4.4Å; I5-M69 HydrophobicContact CG2-SD 4.07Å; I5-P160 HydrophobicContact CD1-CB 3.55Å; I5-P160 HydrophobicContact CD1-CG 3.94Å; I5-F161 HydrophobicContact CB-CE2 3.86Å; I5-F161 HydrophobicContact CB-CZ 3.78Å; I5-F161 HydrophobicContact CD1-CD2 4.42Å; I5-F161 HydrophobicContact CD1-CE2 3.71Å; I5-F161 HydrophobicContact CD1-CZ 4.08Å; I5-F161 HydrophobicContact CG1-CE2 4.39Å; I5-F161 HydrophobicContact CG2-CE2 3.55Å; I5-F161 HydrophobicContact CG2-CZ 3.85Å
6	E	91.7	Very high	90.7	Very high	72 Å²	72	65.9 Å²	65.9	34%	0.336	32%	0.316	S	S	.	.	H	α-helix	trans	-59.9	-41.2	174.9	-68.7	178.2	150.4	0	0	111.2	E2 F8 F9 E10 R76 F161	E2-E6 WeakPolarHBondContact O-CG 3.42Å; E2-E6 PolarHBondContact O-N 2.73Å; E6-F8 PolarHBondContact O-N 3.05Å; E6-F9 PolarHBondContact O-N 2.92Å; E6-E10 PolarHBondContact O-N 3.02Å; E6-R76 IonicContact OE1-CZ 3.78Å; E6-R76 IonicContact OE1-NH1 2.72Å; E6-R76 PolarHBondContact OE1-NH1 3.07Å; E6-R76 IonicContact OE1-NH2 2.77Å; E6-R76 PolarHBondContact OE1-NH2 3.21Å; E6-F161 HydrophobicContact CG-CE1 3.93Å; E6-F161 HydrophobicContact CG-CZ 3.9Å
7	L	91.2	Very high	90.9	Very high	8 Å²	8	65 Å²	65	4%	0.042	31%	0.311	C	S	.	.	H	α-helix	trans	-59.6	-45	172.4	174	62.2	0	0	0	112.3	K3 I5 F9 E10 L11 L24 Y27 M37 W41	K3-L7 VanDerWaalsContact O-CB 3.3Å; K3-L7 WeakPolarHBondContact O-CB 3.24Å; K3-L7 PolarHBondContact O-N 3.4Å; K3-L7 VanDerWaalsContact O-N 3.1Å; I5-L7 VanDerWaalsContact C-N 3.28Å; I5-L7 PolarHBondContact O-N 3.07Å; L7-F9 VanDerWaalsContact C-N 3.26Å; L7-F9 PolarHBondContact O-N 3.03Å; L7-E10 PolarHBondContact O-N 3.47Å; L7-L11 HydrophobicContact CD1-CD1 3.86Å; L7-L11 HydrophobicContact CD1-CG 4Å; L7-L11 HydrophobicContact CD2-CD1 4.45Å; L7-L11 HydrophobicContact CG-CD1 3.83Å; L7-L11 HydrophobicContact CG-CG 4.39Å; L7-L11 WeakPolarHBondContact O-CG 3.44Å; L7-L11 PolarHBondContact O-N 2.73Å; L7-L24 HydrophobicContact CD2-CD1 4.44Å; L7-Y27 HydrophobicContact CD1-CD1 3.44Å; L7-Y27 VanDerWaalsContact CD1-CD1 3.44Å; L7-Y27 HydrophobicContact CD1-CD2 4.02Å; L7-Y27 HydrophobicContact CD1-CE1 3.05Å; L7-Y27 HydrophobicContact CD1-CE2 3.64Å; L7-Y27 HydrophobicContact CD1-CG 3.92Å; L7-Y27 HydrophobicContact CG-CE1 4.4Å; L7-M37 HydrophobicContact CD2-CE 3.07Å; L7-M37 HydrophobicContact CD2-SD 3.97Å; L7-W41 HydrophobicContact CB-CH2 4.27Å; L7-W41 HydrophobicContact CB-CZ2 4.41Å; L7-W41 HydrophobicContact CD2-CH2 3.85Å; L7-W41 HydrophobicContact CD2-CZ2 3.62Å; L7-W41 HydrophobicContact CG-CH2 3.92Å; L7-W41 HydrophobicContact CG-CZ2 4.16Å
8	F	93.5	Very high	91.2	Very high	0 Å²	0	64.4 Å²	64.4	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-58.4	-44.5	176.8	-169.1	-74.8	0	0	0	110.3	L4 I5 E6 E10 L11 D12 V19 W41 I53 F55 F58	L4-F8 PolarHBondContact O-N 3.43Å; I5-F8 WeakPolarHBondContact O-CB 3.1Å; I5-F8 PolarHBondContact O-N 3.5Å; I5-F8 VanDerWaalsContact O-N 3.1Å; E6-F8 PolarHBondContact O-N 3.05Å; F8-E10 VanDerWaalsContact C-N 3.32Å; F8-E10 PolarHBondContact O-N 2.88Å; F8-L11 PolarHBondContact O-N 3.06Å; F8-D12 HydrophobicContact CD1-CB 4.26Å; F8-D12 HydrophobicContact CE1-CB 4Å; F8-D12 WeakPolarHBondContact O-CB 3.45Å; F8-D12 PolarHBondContact O-N 3.12Å; F8-V19 HydrophobicContact CD1-CG2 4.37Å; F8-V19 HydrophobicContact CD2-CG2 3.95Å; F8-V19 HydrophobicContact CE1-CG2 4.13Å; F8-V19 HydrophobicContact CE2-CB 4.16Å; F8-V19 HydrophobicContact CE2-CG2 3.69Å; F8-V19 HydrophobicContact CG-CG2 4.28Å; F8-V19 HydrophobicContact CZ-CB 4.49Å; F8-V19 HydrophobicContact CZ-CG2 3.78Å; F8-W41 HydrophobicContact CB-CH2 4.09Å; F8-W41 HydrophobicContact CB-CZ3 4.37Å; F8-W41 HydrophobicContact CD2-CH2 4.42Å; F8-W41 AromaticContact CD2-CZ3 3.91Å; F8-W41 HydrophobicContact CD2-CZ3 3.91Å; F8-I53 HydrophobicContact CE2-CG2 4.23Å; F8-F55 AromaticContact CD1-CD2 3.42Å; F8-F55 HydrophobicContact CD1-CD2 3.42Å; F8-F55 VanDerWaalsContact CD1-CD2 3.42Å; F8-F55 AromaticContact CD1-CE2 3.85Å; F8-F55 HydrophobicContact CD1-CE2 3.85Å; F8-F55 HydrophobicContact CD1-CG 4.32Å; F8-F55 HydrophobicContact CD2-CD2 4.3Å; F8-F55 HydrophobicContact CE1-CB 3.73Å; F8-F55 AromaticContact CE1-CD2 3.35Å; F8-F55 HydrophobicContact CE1-CD2 3.35Å; F8-F55 HydrophobicContact CE1-CE2 4.21Å; F8-F55 AromaticContact CE1-CG 3.84Å; F8-F55 HydrophobicContact CE1-CG 3.84Å; F8-F55 HydrophobicContact CE2-CD2 4.22Å; F8-F55 AromaticContact CG-CD2 3.94Å; F8-F55 HydrophobicContact CG-CD2 3.94Å; F8-F55 HydrophobicContact CG-CE2 4.25Å; F8-F55 HydrophobicContact CZ-CB 3.7Å; F8-F55 AromaticContact CZ-CD2 3.78Å; F8-F55 HydrophobicContact CZ-CD2 3.78Å; F8-F55 HydrophobicContact CZ-CG 4.19Å; F8-F58 HydrophobicContact CB-CD1 4.5Å; F8-F58 HydrophobicContact CB-CE1 4.31Å; F8-F58 HydrophobicContact CB-CE2 4.41Å; F8-F58 HydrophobicContact CB-CZ 4.28Å; F8-F58 HydrophobicContact CD2-CB 3.83Å; F8-F58 HydrophobicContact CD2-CD1 4.1Å; F8-F58 AromaticContact CD2-CD2 3.71Å; F8-F58 HydrophobicContact CD2-CD2 3.71Å; F8-F58 HydrophobicContact CD2-CE2 4.31Å; F8-F58 AromaticContact CD2-CG 3.59Å; F8-F58 HydrophobicContact CD2-CG 3.59Å; F8-F58 HydrophobicContact CE2-CB 3.78Å; F8-F58 HydrophobicContact CE2-CD2 4.42Å; F8-F58 HydrophobicContact CE2-CG 4.08Å; F8-F58 HydrophobicContact CG-CD1 4.36Å; F8-F58 HydrophobicContact CG-CG 4.29Å
9	F	92.6	Very high	91.4	Very high	32 Å²	32	61.1 Å²	61.1	14%	0.14	29%	0.293	C	S	.	.	H	α-helix	trans	-62.7	-34.8	177.1	-63.9	-16	0	0	0	113.4	I5 E6 L7 F55 M69 E72 K73 F161	I5-F9 HydrophobicContact CG2-CD2 4.36Å; I5-F9 HydrophobicContact CG2-CE1 3.98Å; I5-F9 HydrophobicContact CG2-CE2 3.79Å; I5-F9 HydrophobicContact CG2-CZ 3.57Å; I5-F9 WeakPolarHBondContact O-CG 3.26Å; I5-F9 PolarHBondContact O-N 2.85Å; E6-F9 PolarHBondContact O-N 2.92Å; L7-F9 VanDerWaalsContact C-N 3.26Å; L7-F9 PolarHBondContact O-N 3.03Å; F9-F55 HydrophobicContact CD1-CE2 4.43Å; F9-F55 HydrophobicContact CE1-CE1 4.33Å; F9-F55 AromaticContact CE1-CE2 3.74Å; F9-F55 HydrophobicContact CE1-CE2 3.74Å; F9-F55 AromaticContact CE1-CZ 3.46Å; F9-F55 HydrophobicContact CE1-CZ 3.46Å; F9-F55 VanDerWaalsContact CE1-CZ 3.46Å; F9-F55 HydrophobicContact CZ-CZ 4.07Å; F9-M69 HydrophobicContact CZ-CB 4.45Å; F9-M69 WeakPolarHBondContact CZ-O 3.18Å; F9-E72 HydrophobicContact CE2-CG 4.42Å; F9-K73 HydrophobicContact CD1-CB 4.27Å; F9-K73 HydrophobicContact CD1-CD 3.88Å; F9-K73 HydrophobicContact CD1-CG 3.82Å; F9-K73 HydrophobicContact CD2-CG 4.46Å; F9-K73 HydrophobicContact CE1-CB 3.72Å; F9-K73 HydrophobicContact CE1-CD 3.91Å; F9-K73 HydrophobicContact CE1-CG 3.79Å; F9-K73 HydrophobicContact CE2-CB 4.11Å; F9-K73 HydrophobicContact CE2-CG 4.44Å; F9-K73 HydrophobicContact CG-CG 4.17Å; F9-K73 HydrophobicContact CZ-CB 3.65Å; F9-K73 HydrophobicContact CZ-CG 4.12Å; F9-F161 HydrophobicContact CE2-CE2 4.44Å
10	E	90.7	Very high	91.5	Very high	105 Å²	105	60.8 Å²	60.8	49%	0.491	29%	0.293	S	S	.	.	H	α-helix	trans	-72.4	-30.7	175.6	-79.8	-174.4	163.2	0	0	113.6	E6 L7 F8 K13 Y27	E6-E10 PolarHBondContact O-N 3.02Å; L7-E10 PolarHBondContact O-N 3.47Å; F8-E10 VanDerWaalsContact C-N 3.32Å; F8-E10 PolarHBondContact O-N 2.88Å; E10-K13 WeakPolarHBondContact O-CE 3.36Å; E10-K13 WeakPolarHBondContact O-CG 3.3Å; E10-Y27 HydrophobicContact CB-CE2 4.33Å; E10-Y27 WeakPolarHBondContact OE2-CE2 3.48Å; E10-Y27 PolarHBondContact OE2-OH 3.39Å
11	L	92.2	Very high	91.6	Very high	11 Å²	11	61.6 Å²	61.6	6%	0.058	30%	0.296	C	S	.	.	H	α-helix	trans	-76.7	-42.1	178.9	-73.4	170.7	0	0	0	111.7	L7 F8 K13 V19 L24 Y27 W41	L7-L11 HydrophobicContact CD1-CD1 3.86Å; L7-L11 HydrophobicContact CD1-CG 4Å; L7-L11 HydrophobicContact CD2-CD1 4.45Å; L7-L11 HydrophobicContact CG-CD1 3.83Å; L7-L11 HydrophobicContact CG-CG 4.39Å; L7-L11 WeakPolarHBondContact O-CG 3.44Å; L7-L11 PolarHBondContact O-N 2.73Å; F8-L11 PolarHBondContact O-N 3.06Å; L11-K13 PolarHBondContact O-N 3.05Å; L11-V19 HydrophobicContact CB-CB 4.47Å; L11-V19 HydrophobicContact CB-CG1 4Å; L11-V19 HydrophobicContact CB-CG2 3.6Å; L11-V19 HydrophobicContact CD1-CG1 3.74Å; L11-V19 HydrophobicContact CD1-CG2 4.44Å; L11-V19 HydrophobicContact CG-CG1 4.37Å; L11-L24 HydrophobicContact CD1-CD1 3.6Å; L11-Y27 VanDerWaalsContact CD2-CB 3.42Å; L11-Y27 HydrophobicContact CD2-CD2 3.75Å; L11-Y27 HydrophobicContact CD2-CG 3.73Å; L11-Y27 HydrophobicContact CG-CD2 4.35Å; L11-Y27 HydrophobicContact CG-CG 4.46Å; L11-W41 HydrophobicContact CD1-CZ3 4.37Å
12	D	91.4	Very high	91.9	Very high	4 Å²	4	62.2 Å²	62.2	2%	0.021	30%	0.297	C	S	.	.			trans	-78.4	63.7	-179.3	-178.5	8.9	0	0	0	112	F8 N15 N16 E17 V19 K73	F8-D12 HydrophobicContact CD1-CB 4.26Å; F8-D12 HydrophobicContact CE1-CB 4Å; F8-D12 WeakPolarHBondContact O-CB 3.45Å; F8-D12 PolarHBondContact O-N 3.12Å; D12-N15 PolarHBondContact O-N 3.15Å; D12-N15 WeakPolarHBondContact OD1-CA 3.28Å; D12-N15 PolarHBondContact OD1-N 2.85Å; D12-N16 PolarHBondContact OD1-N 2.91Å; D12-N16 PolarHBondContact OD1-OD1 3.27Å; D12-E17 PolarHBondContact OD1-N 3.45Å; D12-E17 VanDerWaalsContact OD1-N 3.12Å; D12-E17 WeakPolarHBondContact OD2-CA 3.29Å; D12-E17 PolarHBondContact OD2-N 3.14Å; D12-E17 VanDerWaalsContact OD2-N 3.1Å; D12-V19 HydrophobicContact CB-CG2 4.36Å; D12-K73 IonicContact OD1-NZ 3.96Å; D12-K73 IonicContact OD2-NZ 2.81Å; D12-K73 PolarHBondContact OD2-NZ 3.27Å
13	K	85.6	Confident	92	Very high	185 Å²	185	63 Å²	63	80%	0.804	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.4	-32.5	-173.9	-67.6	-178.8	-178.5	176.2	0	113.9	E10 L11	E10-K13 WeakPolarHBondContact O-CE 3.36Å; E10-K13 WeakPolarHBondContact O-CG 3.3Å; L11-K13 PolarHBondContact O-N 3.05Å
14	D	88.9	Confident	92.1	Very high	104 Å²	104	54.8 Å²	54.8	56%	0.556	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86	0.5	177.4	69	-16.7	0	0	0	112.3	N16	D14-N16 VanDerWaalsContact CG-CG 3.47Å; D14-N16 PolarHBondContact O-N 2.95Å; D14-N16 WeakPolarHBondContact OD1-CB 3.48Å; D14-N16 PolarHBondContact OD1-N 3.27Å; D14-N16 PolarHBondContact OD1-ND2 3.02Å; D14-N16 PolarHBondContact OD1-OD1 3.33Å; D14-N16 PolarHBondContact OD2-ND2 3.39Å
15	N	88.9	Confident	92.3	Very high	111 Å²	111	54.1 Å²	54.1	59%	0.594	26%	0.262	S	S	*	.	S	Bend	trans	60.1	34.2	176.5	-162.5	29.6	0	0	0	112.5	D12 K73	D12-N15 PolarHBondContact O-N 3.15Å; D12-N15 WeakPolarHBondContact OD1-CA 3.28Å; D12-N15 PolarHBondContact OD1-N 2.85Å; N15-K73 WeakPolarHBondContact OD1-CE 3.42Å; N15-K73 PolarHBondContact OD1-NZ 3.34Å
16	N	92.7	Very high	92.3	Very high	69 Å²	69	57.8 Å²	57.8	37%	0.369	28%	0.281	S	S	.	.	S	Bend	trans	-88.8	-2.7	178.9	72.9	12.2	0	0	0	113	D12 D14 I18	D12-N16 PolarHBondContact OD1-N 2.91Å; D12-N16 PolarHBondContact OD1-OD1 3.27Å; D14-N16 VanDerWaalsContact CG-CG 3.47Å; D14-N16 PolarHBondContact O-N 2.95Å; D14-N16 WeakPolarHBondContact OD1-CB 3.48Å; D14-N16 PolarHBondContact OD1-N 3.27Å; D14-N16 PolarHBondContact OD1-ND2 3.02Å; D14-N16 PolarHBondContact OD1-OD1 3.33Å; D14-N16 PolarHBondContact OD2-ND2 3.39Å; N16-I18 VanDerWaalsContact C-N 3.28Å; N16-I18 PolarHBondContact O-N 2.99Å; N16-I18 WeakPolarHBondContact OD1-CA 3.35Å; N16-I18 WeakPolarHBondContact OD1-CB 3.22Å; N16-I18 PolarHBondContact OD1-N 3.49Å; N16-I18 PolarHBondContact OD1-O 2.94Å
17	E	94.6	Very high	92.3	Very high	50 Å²	50	56.9 Å²	56.9	23%	0.234	28%	0.275	C	S	.	.	S	Bend	trans	63.7	25.9	-176.3	-63	-165.3	162.4	0	0	114.5	D12 T54 F55 R70	D12-E17 PolarHBondContact OD1-N 3.45Å; D12-E17 VanDerWaalsContact OD1-N 3.12Å; D12-E17 WeakPolarHBondContact OD2-CA 3.29Å; D12-E17 PolarHBondContact OD2-N 3.14Å; D12-E17 VanDerWaalsContact OD2-N 3.1Å; E17-T54 CarbonylContact O-C 3.58Å; E17-T54 WeakPolarHBondContact O-CA 3.31Å; E17-F55 HydrophobicContact CB-CB 3.83Å; E17-F55 HydrophobicContact CG-CB 4.3Å; E17-F55 PolarHBondContact O-N 3.35Å; E17-R70 WeakPolarHBondContact OE1-CG 3.35Å; E17-R70 IonicContact OE1-CZ 3.06Å; E17-R70 IonicContact OE1-NE 3.98Å; E17-R70 PolarHBondContact OE1-NE 3.23Å; E17-R70 IonicContact OE1-NH2 3.39Å; E17-R70 IonicContact OE2-CZ 2.59Å; E17-R70 IonicContact OE2-NE 3.21Å; E17-R70 PolarHBondContact OE2-NE 2.66Å; E17-R70 IonicContact OE2-NH2 3.74Å; E17-R70 PolarHBondContact OE2-NH2 3.3Å
18	I	95.7	Very high	92.3	Very high	55 Å²	55	56.5 Å²	56.5	28%	0.282	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	132.9	-177.7	-56.7	174.6	0	0	0	109.1	N16 K52 T54	N16-I18 VanDerWaalsContact C-N 3.28Å; N16-I18 PolarHBondContact O-N 2.99Å; N16-I18 WeakPolarHBondContact OD1-CA 3.35Å; N16-I18 WeakPolarHBondContact OD1-CB 3.22Å; N16-I18 PolarHBondContact OD1-N 3.49Å; N16-I18 PolarHBondContact OD1-O 2.94Å; I18-K52 HydrophobicContact CG2-CB 3.86Å; I18-K52 HydrophobicContact CG2-CD 4.17Å; I18-K52 HydrophobicContact CG2-CG 4.45Å; I18-T54 HydrophobicContact CG1-CG2 4.35Å
19	V	94.6	Very high	92.2	Very high	0 Å²	0	62.3 Å²	62.3	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	118.1	169.8	173.5	0	0	0	0	108.5	F8 L11 D12 E23 L24 I53	F8-V19 HydrophobicContact CD1-CG2 4.37Å; F8-V19 HydrophobicContact CD2-CG2 3.95Å; F8-V19 HydrophobicContact CE1-CG2 4.13Å; F8-V19 HydrophobicContact CE2-CB 4.16Å; F8-V19 HydrophobicContact CE2-CG2 3.69Å; F8-V19 HydrophobicContact CG-CG2 4.28Å; F8-V19 HydrophobicContact CZ-CB 4.49Å; F8-V19 HydrophobicContact CZ-CG2 3.78Å; L11-V19 HydrophobicContact CB-CB 4.47Å; L11-V19 HydrophobicContact CB-CG1 4Å; L11-V19 HydrophobicContact CB-CG2 3.6Å; L11-V19 HydrophobicContact CD1-CG1 3.74Å; L11-V19 HydrophobicContact CD1-CG2 4.44Å; L11-V19 HydrophobicContact CG-CG1 4.37Å; D12-V19 HydrophobicContact CB-CG2 4.36Å; V19-E23 WeakPolarHBondContact CA-OE2 3.28Å; V19-E23 HydrophobicContact CG1-CB 4.44Å; V19-L24 HydrophobicContact CG1-CB 4.24Å; V19-I53 PolarHBondContact N-O 3.05Å; V19-I53 PolarHBondContact O-N 2.98Å
20	D	94.1	Very high	92.2	Very high	55 Å²	55	64.5 Å²	64.5	29%	0.294	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	159.6	175.1	82.3	47.8	0	0	0	112.7	Q22 E23 L24 K52	D20-Q22 PolarHBondContact O-N 3.23Å; D20-Q22 VanDerWaalsContact OD1-CA 3.27Å; D20-Q22 WeakPolarHBondContact OD1-CA 3.42Å; D20-Q22 VanDerWaalsContact OD1-CB 3.26Å; D20-Q22 WeakPolarHBondContact OD1-CB 3.14Å; D20-Q22 PolarHBondContact OD1-N 3.37Å; D20-E23 PolarHBondContact N-OE2 3.46Å; D20-E23 PolarHBondContact O-N 2.95Å; D20-E23 PolarHBondContact OD1-N 3.36Å; D20-L24 PolarHBondContact O-N 3.01Å; D20-L24 VanDerWaalsContact O-N 3.1Å; D20-K52 HydrophobicContact CB-CG 4.26Å
21	K	94	Very high	92.1	Very high	79 Å²	79	63.4 Å²	63.4	34%	0.343	32%	0.322	S	S	.	.	H	α-helix	trans	-56.6	-37	179.9	176.1	174.1	-175.1	177.2	0	113	I25 V38 L42 N51	K21-I25 HydrophobicContact CG-CD1 3.8Å; K21-I25 HydrophobicContact CG-CG1 4.45Å; K21-I25 WeakPolarHBondContact O-CB 3.47Å; K21-I25 WeakPolarHBondContact O-CD1 3.27Å; K21-I25 WeakPolarHBondContact O-CG1 3.5Å; K21-I25 PolarHBondContact O-N 3.2Å; K21-V38 HydrophobicContact CG-CG1 4.34Å; K21-L42 HydrophobicContact CB-CD1 4.45Å; K21-L42 HydrophobicContact CB-CD2 4.42Å; K21-L42 HydrophobicContact CD-CD1 3.67Å; K21-L42 HydrophobicContact CG-CD1 3.92Å; K21-N51 HydrophobicContact CB-CB 4.06Å; K21-N51 WeakPolarHBondContact CB-O 3.34Å; K21-N51 HydrophobicContact CD-CB 4.29Å; K21-N51 WeakPolarHBondContact CD-OD1 3.43Å; K21-N51 PolarHBondContact N-O 3.29Å
22	Q	93.6	Very high	92	Very high	104 Å²	104	72.2 Å²	72.2	49%	0.486	36%	0.36	S	S	.	.	H	α-helix	trans	-72.3	-39.1	-178.4	-170.3	60.9	55.1	0	0	111.1	D20 L24 I25 N26	D20-Q22 PolarHBondContact O-N 3.23Å; D20-Q22 VanDerWaalsContact OD1-CA 3.27Å; D20-Q22 WeakPolarHBondContact OD1-CA 3.42Å; D20-Q22 VanDerWaalsContact OD1-CB 3.26Å; D20-Q22 WeakPolarHBondContact OD1-CB 3.14Å; D20-Q22 PolarHBondContact OD1-N 3.37Å; Q22-L24 VanDerWaalsContact C-N 3.35Å; Q22-I25 PolarHBondContact O-N 3.42Å; Q22-N26 PolarHBondContact NE2-OD1 3.36Å; Q22-N26 VanDerWaalsContact O-CB 3.32Å; Q22-N26 WeakPolarHBondContact O-CB 3.46Å; Q22-N26 PolarHBondContact O-N 2.82Å; Q22-N26 PolarHBondContact O-ND2 2.8Å; Q22-N26 PolarHBondContact O-OD1 3.37Å
23	E	92.9	Very high	91.8	Very high	63 Å²	63	75.5 Å²	75.5	29%	0.294	38%	0.377	S	S	.	.	H	α-helix	trans	-58.6	-47.1	172.7	-69	174.3	137.5	0	0	111.1	V19 D20 N26 Y27	V19-E23 WeakPolarHBondContact CA-OE2 3.28Å; V19-E23 HydrophobicContact CG1-CB 4.44Å; D20-E23 PolarHBondContact N-OE2 3.46Å; D20-E23 PolarHBondContact O-N 2.95Å; D20-E23 PolarHBondContact OD1-N 3.36Å; E23-N26 PolarHBondContact O-N 2.81Å; E23-Y27 WeakPolarHBondContact O-CB 3.32Å; E23-Y27 PolarHBondContact O-N 3.47Å
24	L	92.6	Very high	92.1	Very high	1 Å²	1	71.6 Å²	71.6	1%	0.005	37%	0.365	C	S	.	.	H	α-helix	trans	-64.3	-42.4	177.5	-174	59.2	0	0	0	112	L7 L11 V19 D20 Q22 Y27 C28 V38 W41	L7-L24 HydrophobicContact CD2-CD1 4.44Å; L11-L24 HydrophobicContact CD1-CD1 3.6Å; V19-L24 HydrophobicContact CG1-CB 4.24Å; D20-L24 PolarHBondContact O-N 3.01Å; D20-L24 VanDerWaalsContact O-N 3.1Å; Q22-L24 VanDerWaalsContact C-N 3.35Å; L24-Y27 PolarHBondContact O-N 3.1Å; L24-C28 PolarHBondContact O-N 3.09Å; L24-C28 PolarHBondContact O-SG 2.82Å; L24-C28 VanDerWaalsContact O-SG 3.39Å; L24-V38 HydrophobicContact CD2-CB 4.34Å; L24-V38 HydrophobicContact CD2-CG1 4.15Å; L24-V38 HydrophobicContact CG-CG1 4.42Å; L24-V38 HydrophobicContact CG-CG2 4.17Å; L24-W41 HydrophobicContact CD1-CD2 4.42Å; L24-W41 HydrophobicContact CD1-CE3 4.2Å; L24-W41 HydrophobicContact CD1-CZ3 4.45Å; L24-W41 HydrophobicContact CD2-CB 3.7Å; L24-W41 HydrophobicContact CD2-CD2 4.1Å; L24-W41 HydrophobicContact CD2-CE3 3.97Å; L24-W41 HydrophobicContact CD2-CG 4.02Å
25	I	94.1	Very high	92.2	Very high	28 Å²	28	70.2 Å²	70.2	14%	0.144	36%	0.356	C	S	.	.	H	α-helix	trans	-59.5	-50	174.1	-76.1	168.2	0	0	0	111.1	K21 Q22 Y27 C28 Q29 M35 V38	K21-I25 HydrophobicContact CG-CD1 3.8Å; K21-I25 HydrophobicContact CG-CG1 4.45Å; K21-I25 WeakPolarHBondContact O-CB 3.47Å; K21-I25 WeakPolarHBondContact O-CD1 3.27Å; K21-I25 WeakPolarHBondContact O-CG1 3.5Å; K21-I25 PolarHBondContact O-N 3.2Å; Q22-I25 PolarHBondContact O-N 3.42Å; I25-Y27 VanDerWaalsContact C-N 3.28Å; I25-Y27 PolarHBondContact O-N 2.9Å; I25-C28 PolarHBondContact O-N 3.23Å; I25-Q29 HydrophobicContact CG2-CG 4.47Å; I25-Q29 WeakPolarHBondContact O-CG 3.42Å; I25-Q29 PolarHBondContact O-N 3.2Å; I25-M35 HydrophobicContact CB-CE 4.35Å; I25-M35 HydrophobicContact CG1-CE 4.03Å; I25-M35 HydrophobicContact CG2-CE 3.94Å; I25-V38 HydrophobicContact CG1-CG1 3.89Å; I25-V38 HydrophobicContact CG1-CG2 4.04Å
26	N	93.6	Very high	92.3	Very high	78 Å²	78	70 Å²	70	42%	0.417	35%	0.352	S	S	.	.	H	α-helix	trans	-60	-41.8	-178.1	-70.8	-14.4	0	0	0	110.8	Q22 E23 Q29 A30	Q22-N26 PolarHBondContact NE2-OD1 3.36Å; Q22-N26 VanDerWaalsContact O-CB 3.32Å; Q22-N26 WeakPolarHBondContact O-CB 3.46Å; Q22-N26 PolarHBondContact O-N 2.82Å; Q22-N26 PolarHBondContact O-ND2 2.8Å; Q22-N26 PolarHBondContact O-OD1 3.37Å; E23-N26 PolarHBondContact O-N 2.81Å; N26-Q29 PolarHBondContact O-N 2.92Å; N26-A30 VanDerWaalsContact O-CB 3.28Å; N26-A30 WeakPolarHBondContact O-CB 3.34Å; N26-A30 PolarHBondContact O-N 3.01Å
27	Y	90.6	Very high	92.1	Very high	53 Å²	53	68.1 Å²	68.1	21%	0.208	34%	0.341	C	S	.	.	H	α-helix	trans	-66.1	-45.4	176.7	-176	-78.2	0	0	0	112.4	L7 E10 L11 E23 L24 I25 Q29 A30 N31 L33	L7-Y27 HydrophobicContact CD1-CD1 3.44Å; L7-Y27 VanDerWaalsContact CD1-CD1 3.44Å; L7-Y27 HydrophobicContact CD1-CD2 4.02Å; L7-Y27 HydrophobicContact CD1-CE1 3.05Å; L7-Y27 HydrophobicContact CD1-CE2 3.64Å; L7-Y27 HydrophobicContact CD1-CG 3.92Å; L7-Y27 HydrophobicContact CG-CE1 4.4Å; E10-Y27 HydrophobicContact CB-CE2 4.33Å; E10-Y27 WeakPolarHBondContact OE2-CE2 3.48Å; E10-Y27 PolarHBondContact OE2-OH 3.39Å; L11-Y27 VanDerWaalsContact CD2-CB 3.42Å; L11-Y27 HydrophobicContact CD2-CD2 3.75Å; L11-Y27 HydrophobicContact CD2-CG 3.73Å; L11-Y27 HydrophobicContact CG-CD2 4.35Å; L11-Y27 HydrophobicContact CG-CG 4.46Å; E23-Y27 WeakPolarHBondContact O-CB 3.32Å; E23-Y27 PolarHBondContact O-N 3.47Å; L24-Y27 PolarHBondContact O-N 3.1Å; I25-Y27 VanDerWaalsContact C-N 3.28Å; I25-Y27 PolarHBondContact O-N 2.9Å; Y27-Q29 VanDerWaalsContact C-N 3.3Å; Y27-Q29 PolarHBondContact O-N 2.72Å; Y27-A30 PolarHBondContact O-N 2.85Å; Y27-N31 HydrophobicContact CE1-CB 4.18Å; Y27-N31 VanDerWaalsContact CE1-ND2 3.34Å; Y27-N31 WeakPolarHBondContact CE1-ND2 3.42Å; Y27-N31 WeakPolarHBondContact CE2-ND2 3.1Å; Y27-N31 VanDerWaalsContact CZ-ND2 3.31Å; Y27-N31 WeakPolarHBondContact O-CB 3.2Å; Y27-N31 PolarHBondContact O-N 3.25Å; Y27-N31 PolarHBondContact O-ND2 2.86Å; Y27-L33 HydrophobicContact CD1-CD1 4.02Å; Y27-L33 HydrophobicContact CE1-CD1 3.62Å
28	C	90.7	Very high	92	Very high	0 Å²	0	65.9 Å²	65.9	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-59.4	-42.5	176.9	-75.1	0	0	0	0	111.3	L24 I25 K32 L33 M35 V38	L24-C28 PolarHBondContact O-N 3.09Å; L24-C28 PolarHBondContact O-SG 2.82Å; L24-C28 VanDerWaalsContact O-SG 3.39Å; I25-C28 PolarHBondContact O-N 3.23Å; C28-K32 CarbonylContact O-C 3.55Å; C28-K32 WeakPolarHBondContact O-CA 3.35Å; C28-K32 PolarHBondContact O-N 2.97Å; C28-L33 HydrophobicContact CB-CB 4.28Å; C28-L33 PolarHBondContact O-N 2.83Å; C28-M35 HydrophobicContact CB-SD 3.74Å; C28-V38 HydrophobicContact CB-CG2 4.37Å
29	Q	92.8	Very high	91.8	Very high	121 Å²	121	67.4 Å²	67.4	57%	0.565	34%	0.339	S	S	*	.	H	α-helix	trans	-65.3	-47.9	176.6	-71.2	176.9	-10.4	0	0	112.3	I25 N26 Y27 N31 K32 M35	I25-Q29 HydrophobicContact CG2-CG 4.47Å; I25-Q29 WeakPolarHBondContact O-CG 3.42Å; I25-Q29 PolarHBondContact O-N 3.2Å; N26-Q29 PolarHBondContact O-N 2.92Å; Y27-Q29 VanDerWaalsContact C-N 3.3Å; Y27-Q29 PolarHBondContact O-N 2.72Å; Q29-N31 VanDerWaalsContact C-N 3.32Å; Q29-N31 PolarHBondContact O-N 2.93Å; Q29-K32 PolarHBondContact O-N 3.34Å; Q29-M35 HydrophobicContact CG-CE 4.47Å; Q29-M35 HydrophobicContact CG-SD 4.09Å
30	A	91.5	Very high	91.6	Very high	79 Å²	79	74.2 Å²	74.2	65%	0.653	37%	0.365	S	S	*	.	H	α-helix	trans	-62.5	-38.8	-178.4	0	0	0	0	0	112.5	N26 Y27	N26-A30 VanDerWaalsContact O-CB 3.28Å; N26-A30 WeakPolarHBondContact O-CB 3.34Å; N26-A30 PolarHBondContact O-N 3.01Å; Y27-A30 PolarHBondContact O-N 2.85Å
31	N	90.2	Very high	91.6	Very high	82 Å²	82	71.7 Å²	71.7	44%	0.439	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.2	6.1	-178.9	-66.8	-73.8	0	0	0	113.7	Y27 Q29 L33	Y27-N31 HydrophobicContact CE1-CB 4.18Å; Y27-N31 VanDerWaalsContact CE1-ND2 3.34Å; Y27-N31 WeakPolarHBondContact CE1-ND2 3.42Å; Y27-N31 WeakPolarHBondContact CE2-ND2 3.1Å; Y27-N31 VanDerWaalsContact CZ-ND2 3.31Å; Y27-N31 WeakPolarHBondContact O-CB 3.2Å; Y27-N31 PolarHBondContact O-N 3.25Å; Y27-N31 PolarHBondContact O-ND2 2.86Å; Q29-N31 VanDerWaalsContact C-N 3.32Å; Q29-N31 PolarHBondContact O-N 2.93Å; N31-L33 HydrophobicContact CB-CD1 4.25Å; N31-L33 HydrophobicContact CB-CG 3.93Å; N31-L33 PolarHBondContact O-N 3.39Å
32	K	89.1	Confident	91.5	Very high	196 Å²	196	68.9 Å²	68.9	85%	0.852	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.6	39.3	-177.7	-55.7	178.5	-177.9	177.6	0	112.8	C28 Q29	C28-K32 CarbonylContact O-C 3.55Å; C28-K32 WeakPolarHBondContact O-CA 3.35Å; C28-K32 PolarHBondContact O-N 2.97Å; Q29-K32 PolarHBondContact O-N 3.34Å
33	L	88.1	Confident	91.5	Very high	72 Å²	72	68.8 Å²	68.8	38%	0.377	35%	0.351	S	S	.	.			trans	-84.7	158.1	174.3	-58.2	-179.7	0	0	0	110.7	Y27 C28 N31 M35 M37	Y27-L33 HydrophobicContact CD1-CD1 4.02Å; Y27-L33 HydrophobicContact CE1-CD1 3.62Å; C28-L33 HydrophobicContact CB-CB 4.28Å; C28-L33 PolarHBondContact O-N 2.83Å; N31-L33 HydrophobicContact CB-CD1 4.25Å; N31-L33 HydrophobicContact CB-CG 3.93Å; N31-L33 PolarHBondContact O-N 3.39Å; L33-M35 PolarHBondContact O-N 3.24Å; L33-M37 HydrophobicContact CD1-SD 4.31Å
34	D	90.1	Very high	91.5	Very high	104 Å²	104	72.3 Å²	72.3	56%	0.556	36%	0.362	S	S	*	.			trans	-64	125.8	176.3	-174.3	-2.1	0	0	0	111	E36 M37	D34-E36 PolarHBondContact O-N 2.94Å; D34-E36 WeakPolarHBondContact OD1-CB 3.32Å; D34-E36 WeakPolarHBondContact OD1-CG 3.19Å; D34-E36 PolarHBondContact OD1-N 2.63Å; D34-M37 WeakPolarHBondContact O-CB 3.4Å; D34-M37 PolarHBondContact O-N 3.04Å
35	M	91.3	Very high	91.5	Very high	75 Å²	75	72.3 Å²	72.3	37%	0.369	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-18.7	178.1	-66.8	-64.6	-75.9	0	0	112.5	I25 C28 Q29 L33 M37 V38	I25-M35 HydrophobicContact CB-CE 4.35Å; I25-M35 HydrophobicContact CG1-CE 4.03Å; I25-M35 HydrophobicContact CG2-CE 3.94Å; C28-M35 HydrophobicContact CB-SD 3.74Å; Q29-M35 HydrophobicContact CG-CE 4.47Å; Q29-M35 HydrophobicContact CG-SD 4.09Å; L33-M35 PolarHBondContact O-N 3.24Å; M35-M37 PolarHBondContact O-N 3.42Å; M35-M37 VanDerWaalsContact O-N 3.14Å; M35-V38 HydrophobicContact CE-CG2 4.36Å; M35-V38 WeakPolarHBondContact O-CB 3.34Å; M35-V38 PolarHBondContact O-N 3.37Å; M35-V38 HydrophobicContact SD-CG2 4.38Å
36	E	91.6	Very high	91.5	Very high	106 Å²	106	71.8 Å²	71.8	50%	0.495	36%	0.359	S	S	.	.	H	α-helix	trans	-59.3	-21.3	169.3	-70.7	-59.1	132.9	0	0	112.6	D34 V38 N39 R40	D34-E36 PolarHBondContact O-N 2.94Å; D34-E36 WeakPolarHBondContact OD1-CB 3.32Å; D34-E36 WeakPolarHBondContact OD1-CG 3.19Å; D34-E36 PolarHBondContact OD1-N 2.63Å; E36-V38 VanDerWaalsContact C-N 3.32Å; E36-V38 PolarHBondContact O-N 3.24Å; E36-N39 PolarHBondContact O-N 3.47Å; E36-R40 VanDerWaalsContact O-CB 3.28Å; E36-R40 WeakPolarHBondContact O-CB 3.5Å; E36-R40 PolarHBondContact O-N 3.09Å
37	M	88.6	Confident	91.4	Very high	29 Å²	29	71.7 Å²	71.7	14%	0.143	36%	0.361	C	S	.	.	H	α-helix	trans	-60.8	-41.1	171.9	-173.2	166.9	-169.4	0	0	112.1	L4 L7 L33 D34 M35 R40 W41	L4-M37 HydrophobicContact CD2-CE 3.42Å; L4-M37 VanDerWaalsContact CD2-CE 3.42Å; L7-M37 HydrophobicContact CD2-CE 3.07Å; L7-M37 HydrophobicContact CD2-SD 3.97Å; L33-M37 HydrophobicContact CD1-SD 4.31Å; D34-M37 WeakPolarHBondContact O-CB 3.4Å; D34-M37 PolarHBondContact O-N 3.04Å; M35-M37 PolarHBondContact O-N 3.42Å; M35-M37 VanDerWaalsContact O-N 3.14Å; M37-R40 PolarHBondContact O-N 3.18Å; M37-W41 HydrophobicContact CE-CZ2 3.79Å; M37-W41 WeakPolarHBondContact O-CB 3.36Å; M37-W41 PolarHBondContact O-N 3.36Å
38	V	91.9	Very high	91.5	Very high	4 Å²	4	73.9 Å²	73.9	2%	0.024	38%	0.377	C	S	.	.	H	α-helix	trans	-60.9	-50.6	178.1	-174.2	0	0	0	0	109.9	K21 L24 I25 C28 M35 E36 R40 W41 L42	K21-V38 HydrophobicContact CG-CG1 4.34Å; L24-V38 HydrophobicContact CD2-CB 4.34Å; L24-V38 HydrophobicContact CD2-CG1 4.15Å; L24-V38 HydrophobicContact CG-CG1 4.42Å; L24-V38 HydrophobicContact CG-CG2 4.17Å; I25-V38 HydrophobicContact CG1-CG1 3.89Å; I25-V38 HydrophobicContact CG1-CG2 4.04Å; C28-V38 HydrophobicContact CB-CG2 4.37Å; M35-V38 HydrophobicContact CE-CG2 4.36Å; M35-V38 WeakPolarHBondContact O-CB 3.34Å; M35-V38 PolarHBondContact O-N 3.37Å; M35-V38 HydrophobicContact SD-CG2 4.38Å; E36-V38 VanDerWaalsContact C-N 3.32Å; E36-V38 PolarHBondContact O-N 3.24Å; V38-R40 VanDerWaalsContact C-N 3.31Å; V38-R40 PolarHBondContact O-N 2.92Å; V38-W41 PolarHBondContact O-N 2.78Å; V38-L42 HydrophobicContact CG1-CD1 4.04Å; V38-L42 WeakPolarHBondContact O-CG 3.27Å; V38-L42 PolarHBondContact O-N 3.1Å
39	N	92.2	Very high	91.6	Very high	86 Å²	86	82.2 Å²	82.2	46%	0.46	41%	0.413	S	S	.	.	H	α-helix	trans	-61.7	-40.3	179.3	-67.2	-25.6	0	0	0	111.5	E36 S43	E36-N39 PolarHBondContact O-N 3.47Å; N39-S43 VanDerWaalsContact O-CB 3.24Å; N39-S43 WeakPolarHBondContact O-CB 3.42Å; N39-S43 PolarHBondContact O-N 2.8Å; N39-S43 PolarHBondContact O-OG 2.62Å
40	R	91.2	Very high	91.6	Very high	144 Å²	144	79.7 Å²	79.7	54%	0.543	40%	0.403	S	S	.	.	H	α-helix	trans	-65.1	-40.6	178	-170.1	-173.5	-51.1	170	7.5	112.5	E36 M37 V38 S43 R44	E36-R40 VanDerWaalsContact O-CB 3.28Å; E36-R40 WeakPolarHBondContact O-CB 3.5Å; E36-R40 PolarHBondContact O-N 3.09Å; M37-R40 PolarHBondContact O-N 3.18Å; V38-R40 VanDerWaalsContact C-N 3.31Å; V38-R40 PolarHBondContact O-N 2.92Å; R40-S43 WeakPolarHBondContact CA-OG 3.49Å; R40-S43 PolarHBondContact O-OG 2.59Å; R40-R44 WeakPolarHBondContact O-CB 3.26Å; R40-R44 PolarHBondContact O-N 3.21Å
41	W	92.3	Very high	91.8	Very high	1 Å²	1	79.7 Å²	79.7	0%	0.004	39%	0.392	C	S	.	.	H	α-helix	trans	-67.7	-50.6	178.3	-84.9	46.1	0	0	0	111	L4 L7 F8 L11 L24 M37 V38 R44 C45 I53 F58	L4-W41 HydrophobicContact CB-CZ2 4Å; L4-W41 HydrophobicContact CD2-CZ2 4.06Å; L4-W41 WeakPolarHBondContact O-CH2 3.34Å; L7-W41 HydrophobicContact CB-CH2 4.27Å; L7-W41 HydrophobicContact CB-CZ2 4.41Å; L7-W41 HydrophobicContact CD2-CH2 3.85Å; L7-W41 HydrophobicContact CD2-CZ2 3.62Å; L7-W41 HydrophobicContact CG-CH2 3.92Å; L7-W41 HydrophobicContact CG-CZ2 4.16Å; F8-W41 HydrophobicContact CB-CH2 4.09Å; F8-W41 HydrophobicContact CB-CZ3 4.37Å; F8-W41 HydrophobicContact CD2-CH2 4.42Å; F8-W41 AromaticContact CD2-CZ3 3.91Å; F8-W41 HydrophobicContact CD2-CZ3 3.91Å; L11-W41 HydrophobicContact CD1-CZ3 4.37Å; L24-W41 HydrophobicContact CD1-CD2 4.42Å; L24-W41 HydrophobicContact CD1-CE3 4.2Å; L24-W41 HydrophobicContact CD1-CZ3 4.45Å; L24-W41 HydrophobicContact CD2-CB 3.7Å; L24-W41 HydrophobicContact CD2-CD2 4.1Å; L24-W41 HydrophobicContact CD2-CE3 3.97Å; L24-W41 HydrophobicContact CD2-CG 4.02Å; M37-W41 HydrophobicContact CE-CZ2 3.79Å; M37-W41 WeakPolarHBondContact O-CB 3.36Å; M37-W41 PolarHBondContact O-N 3.36Å; V38-W41 PolarHBondContact O-N 2.78Å; W41-R44 PolarHBondContact O-N 2.8Å; W41-C45 VanDerWaalsContact O-CB 3.3Å; W41-C45 WeakPolarHBondContact O-CB 3.33Å; W41-C45 PolarHBondContact O-N 3.26Å; W41-C45 PolarHBondContact O-SG 2.92Å; W41-C45 VanDerWaalsContact O-SG 3.34Å; W41-I53 HydrophobicContact CB-CD1 3.72Å; W41-I53 HydrophobicContact CE3-CD1 4.1Å; W41-F58 HydrophobicContact CD2-CE2 4.39Å; W41-F58 HydrophobicContact CE3-CD2 4.15Å; W41-F58 HydrophobicContact CE3-CE2 4.23Å; W41-F58 HydrophobicContact CH2-CD2 4.01Å; W41-F58 AromaticContact CH2-CE2 3.43Å; W41-F58 HydrophobicContact CH2-CE2 3.43Å; W41-F58 VanDerWaalsContact CH2-CE2 3.43Å; W41-F58 HydrophobicContact CH2-CZ 4.23Å; W41-F58 HydrophobicContact CZ2-CD2 4.42Å; W41-F58 AromaticContact CZ2-CE2 3.58Å; W41-F58 HydrophobicContact CZ2-CE2 3.58Å; W41-F58 HydrophobicContact CZ2-CZ 4.38Å; W41-F58 AromaticContact CZ3-CD2 3.86Å; W41-F58 HydrophobicContact CZ3-CD2 3.86Å; W41-F58 AromaticContact CZ3-CE2 3.78Å; W41-F58 HydrophobicContact CZ3-CE2 3.78Å
42	L	93.7	Very high	92	Very high	20 Å²	20	80.9 Å²	80.9	11%	0.105	39%	0.393	C	S	.	.	H	α-helix	trans	-60	-49.4	177.9	-68.1	170.6	0	0	0	111.6	K21 V38 R44 D46 I53	K21-L42 HydrophobicContact CB-CD1 4.45Å; K21-L42 HydrophobicContact CB-CD2 4.42Å; K21-L42 HydrophobicContact CD-CD1 3.67Å; K21-L42 HydrophobicContact CG-CD1 3.92Å; V38-L42 HydrophobicContact CG1-CD1 4.04Å; V38-L42 WeakPolarHBondContact O-CG 3.27Å; V38-L42 PolarHBondContact O-N 3.1Å; L42-R44 PolarHBondContact O-N 3.1Å; L42-R44 VanDerWaalsContact O-N 3.15Å; L42-D46 HydrophobicContact CB-CB 4.5Å; L42-D46 HydrophobicContact CD2-CB 4.01Å; L42-D46 WeakPolarHBondContact O-CB 3.42Å; L42-D46 PolarHBondContact O-N 3.27Å; L42-D46 VanDerWaalsContact O-N 3.12Å; L42-I53 HydrophobicContact CD2-CD1 4.12Å; L42-I53 HydrophobicContact CD2-CG1 4.22Å
43	S	93	Very high	92.3	Very high	102 Å²	102	71.6 Å²	71.6	71%	0.713	35%	0.353	S	S	*	.	H	α-helix	trans	-62	-26.4	-179	58.8	0	0	0	0	114.2	N39 R40	N39-S43 VanDerWaalsContact O-CB 3.24Å; N39-S43 WeakPolarHBondContact O-CB 3.42Å; N39-S43 PolarHBondContact O-N 2.8Å; N39-S43 PolarHBondContact O-OG 2.62Å; R40-S43 WeakPolarHBondContact CA-OG 3.49Å; R40-S43 PolarHBondContact O-OG 2.59Å
44	R	91.7	Very high	92.7	Very high	138 Å²	138	70.3 Å²	70.3	52%	0.521	35%	0.348	S	S	.	.	H	α-helix	trans	-100.5	-30	-174.5	-171.8	168.1	178.5	145.4	2.4	113.9	R40 W41 L42 G61	R40-R44 WeakPolarHBondContact O-CB 3.26Å; R40-R44 PolarHBondContact O-N 3.21Å; W41-R44 PolarHBondContact O-N 2.8Å; L42-R44 PolarHBondContact O-N 3.1Å; L42-R44 VanDerWaalsContact O-N 3.15Å; R44-G61 PolarHBondContact NE-O 3.28Å; R44-G61 PolarHBondContact NH2-O 2.93Å
45	C	93.5	Very high	92.9	Very high	1 Å²	1	65.4 Å²	65.4	1%	0.007	32%	0.322	C	S	.	.	H	α-helix	trans	-115	-41.9	-169.6	-45.6	0	0	0	0	112.4	W41 T47 I53 E57 F62	W41-C45 VanDerWaalsContact O-CB 3.3Å; W41-C45 WeakPolarHBondContact O-CB 3.33Å; W41-C45 PolarHBondContact O-N 3.26Å; W41-C45 PolarHBondContact O-SG 2.92Å; W41-C45 VanDerWaalsContact O-SG 3.34Å; C45-T47 VanDerWaalsContact C-N 3.33Å; C45-T47 WeakPolarHBondContact O-CG2 3.47Å; C45-T47 PolarHBondContact O-N 2.82Å; C45-I53 HydrophobicContact CB-CD1 4.4Å; C45-I53 HydrophobicContact CB-CG1 4.4Å; C45-I53 HydrophobicContact CB-CG2 3.62Å; C45-E57 VanDerWaalsContact O-CB 3.24Å; C45-E57 WeakPolarHBondContact O-CB 3.27Å; C45-E57 WeakPolarHBondContact O-CG 3.43Å; C45-F62 WeakPolarHBondContact SG-CE2 3.35Å
46	D	93.8	Very high	93.1	Very high	17 Å²	17	65.4 Å²	65.4	9%	0.091	32%	0.324	C	S	.	.			trans	-73.3	84.5	-178.8	178.3	9	0	0	0	110	L42 D48 K49 N50 N51 I53	L42-D46 HydrophobicContact CB-CB 4.5Å; L42-D46 HydrophobicContact CD2-CB 4.01Å; L42-D46 WeakPolarHBondContact O-CB 3.42Å; L42-D46 PolarHBondContact O-N 3.27Å; L42-D46 VanDerWaalsContact O-N 3.12Å; D46-D48 VanDerWaalsContact OD1-OD1 3.1Å; D46-K49 WeakPolarHBondContact OD1-CA 3.3Å; D46-K49 PolarHBondContact OD1-N 2.98Å; D46-N50 PolarHBondContact OD1-N 2.74Å; D46-N51 VanDerWaalsContact OD2-CA 3.26Å; D46-N51 WeakPolarHBondContact OD2-CA 3.34Å; D46-N51 PolarHBondContact OD2-N 2.81Å; D46-I53 HydrophobicContact CB-CG1 4.15Å
47	T	91.7	Very high	93.3	Very high	75 Å²	75	60.9 Å²	60.9	46%	0.46	30%	0.303	S	S	.	.	S	Bend	trans	-82.2	-29.1	-171	55.9	0	0	0	0	113.2	C45 E57 R60	C45-T47 VanDerWaalsContact C-N 3.33Å; C45-T47 WeakPolarHBondContact O-CG2 3.47Å; C45-T47 PolarHBondContact O-N 2.82Å; T47-E57 PolarHBondContact N-OE1 3.05Å; T47-E57 PolarHBondContact OG1-OE1 3.44Å; T47-R60 PolarHBondContact OG1-NH2 3.13Å
48	D	93.1	Very high	93.6	Very high	99 Å²	99	59.5 Å²	59.5	53%	0.529	30%	0.296	S	S	.	.	S	Bend	trans	-87.4	-7.7	175.7	74.6	-1.5	0	0	0	112.9	D46 N50	D46-D48 VanDerWaalsContact OD1-OD1 3.1Å; D48-N50 VanDerWaalsContact C-N 3.33Å; D48-N50 VanDerWaalsContact OD1-CB 3.29Å; D48-N50 WeakPolarHBondContact OD1-CB 3.32Å; D48-N50 PolarHBondContact OD1-N 2.88Å; D48-N50 PolarHBondContact OD1-ND2 3.17Å; D48-N50 PolarHBondContact OD1-OD1 2.88Å; D48-N50 PolarHBondContact OD2-ND2 3.02Å
49	K	91.8	Very high	93.6	Very high	175 Å²	175	59.4 Å²	59.4	76%	0.761	30%	0.295	S	S	*	.			trans	64.6	32.9	177.1	-55.3	179.9	-179.5	176.8	0	113.1	D46 N51	D46-K49 WeakPolarHBondContact OD1-CA 3.3Å; D46-K49 PolarHBondContact OD1-N 2.98Å; K49-N51 VanDerWaalsContact C-N 3.31Å
50	N	94.4	Very high	93.6	Very high	69 Å²	69	61 Å²	61	37%	0.369	30%	0.295	S	S	.	.	S	Bend	trans	-87.3	2.6	-179.4	74.4	20.3	0	0	0	113.4	D46 D48 K52	D46-N50 PolarHBondContact OD1-N 2.74Å; D48-N50 VanDerWaalsContact C-N 3.33Å; D48-N50 VanDerWaalsContact OD1-CB 3.29Å; D48-N50 WeakPolarHBondContact OD1-CB 3.32Å; D48-N50 PolarHBondContact OD1-N 2.88Å; D48-N50 PolarHBondContact OD1-ND2 3.17Å; D48-N50 PolarHBondContact OD1-OD1 2.88Å; D48-N50 PolarHBondContact OD2-ND2 3.02Å; N50-K52 VanDerWaalsContact C-N 3.25Å; N50-K52 PolarHBondContact O-N 3.36Å; N50-K52 VanDerWaalsContact OD1-CA 3.27Å; N50-K52 WeakPolarHBondContact OD1-CA 3.28Å; N50-K52 WeakPolarHBondContact OD1-CB 3.46Å; N50-K52 PolarHBondContact OD1-N 3.36Å; N50-K52 PolarHBondContact OD1-O 2.84Å; N50-K52 VanDerWaalsContact OD1-O 3.1Å
51	N	94.2	Very high	93.6	Very high	79 Å²	79	54.9 Å²	54.9	42%	0.422	28%	0.277	S	S	.	.	S	Bend	trans	64.6	21.1	-173.4	-59.8	-79.7	0	0	0	114.8	K21 D46 K49	K21-N51 HydrophobicContact CB-CB 4.06Å; K21-N51 WeakPolarHBondContact CB-O 3.34Å; K21-N51 HydrophobicContact CD-CB 4.29Å; K21-N51 WeakPolarHBondContact CD-OD1 3.43Å; K21-N51 PolarHBondContact N-O 3.29Å; D46-N51 VanDerWaalsContact OD2-CA 3.26Å; D46-N51 WeakPolarHBondContact OD2-CA 3.34Å; D46-N51 PolarHBondContact OD2-N 2.81Å; K49-N51 VanDerWaalsContact C-N 3.31Å
52	K	95.7	Very high	93.4	Very high	106 Å²	106	56.2 Å²	56.2	46%	0.461	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	144.1	171.3	-51.1	-178.4	176	-171.6	0	108.2	I18 D20 N50	I18-K52 HydrophobicContact CG2-CB 3.86Å; I18-K52 HydrophobicContact CG2-CD 4.17Å; I18-K52 HydrophobicContact CG2-CG 4.45Å; D20-K52 HydrophobicContact CB-CG 4.26Å; N50-K52 VanDerWaalsContact C-N 3.25Å; N50-K52 PolarHBondContact O-N 3.36Å; N50-K52 VanDerWaalsContact OD1-CA 3.27Å; N50-K52 WeakPolarHBondContact OD1-CA 3.28Å; N50-K52 WeakPolarHBondContact OD1-CB 3.46Å; N50-K52 PolarHBondContact OD1-N 3.36Å; N50-K52 PolarHBondContact OD1-O 2.84Å; N50-K52 VanDerWaalsContact OD1-O 3.1Å
53	I	95.6	Very high	93.2	Very high	2 Å²	2	57 Å²	57	1%	0.01	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	107.5	178.3	-60.3	172	0	0	0	106.5	F8 V19 W41 L42 C45 D46 E57 F58	F8-I53 HydrophobicContact CE2-CG2 4.23Å; V19-I53 PolarHBondContact N-O 3.05Å; V19-I53 PolarHBondContact O-N 2.98Å; W41-I53 HydrophobicContact CB-CD1 3.72Å; W41-I53 HydrophobicContact CE3-CD1 4.1Å; L42-I53 HydrophobicContact CD2-CD1 4.12Å; L42-I53 HydrophobicContact CD2-CG1 4.22Å; C45-I53 HydrophobicContact CB-CD1 4.4Å; C45-I53 HydrophobicContact CB-CG1 4.4Å; C45-I53 HydrophobicContact CB-CG2 3.62Å; D46-I53 HydrophobicContact CB-CG1 4.15Å; I53-E57 HydrophobicContact CG2-CB 4.49Å; I53-F58 HydrophobicContact CG2-CB 3.93Å
54	T	95.8	Very high	93	Very high	44 Å²	44	52.6 Å²	52.6	27%	0.27	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	157.7	171.1	63.8	0	0	0	0	110.5	E17 I18 D56 E57 F58	E17-T54 CarbonylContact O-C 3.58Å; E17-T54 WeakPolarHBondContact O-CA 3.31Å; I18-T54 HydrophobicContact CG1-CG2 4.35Å; T54-D56 VanDerWaalsContact C-N 3.26Å; T54-D56 PolarHBondContact O-N 3.41Å; T54-E57 PolarHBondContact N-OE2 2.82Å; T54-E57 WeakPolarHBondContact O-CB 3.45Å; T54-E57 PolarHBondContact O-N 3.48Å; T54-E57 VanDerWaalsContact OG1-CB 3.28Å; T54-E57 WeakPolarHBondContact OG1-CB 3.43Å; T54-E57 VanDerWaalsContact OG1-CG 3.22Å; T54-E57 WeakPolarHBondContact OG1-CG 3.5Å; T54-E57 PolarHBondContact OG1-N 3.26Å; T54-E57 PolarHBondContact OG1-OE2 2.98Å; T54-F58 WeakPolarHBondContact O-CB 3.33Å; T54-F58 PolarHBondContact O-N 3.27Å
55	F	94.8	Very high	92.9	Very high	1 Å²	1	47.9 Å²	47.9	0%	0.004	25%	0.247	C	C	.	.	H	α-helix	trans	-65.5	-32.3	179.4	-169.9	-132.5	0	0	0	112.7	F8 F9 E17 F58 C59 L66 M69 R70	F8-F55 AromaticContact CD1-CD2 3.42Å; F8-F55 HydrophobicContact CD1-CD2 3.42Å; F8-F55 VanDerWaalsContact CD1-CD2 3.42Å; F8-F55 AromaticContact CD1-CE2 3.85Å; F8-F55 HydrophobicContact CD1-CE2 3.85Å; F8-F55 HydrophobicContact CD1-CG 4.32Å; F8-F55 HydrophobicContact CD2-CD2 4.3Å; F8-F55 HydrophobicContact CE1-CB 3.73Å; F8-F55 AromaticContact CE1-CD2 3.35Å; F8-F55 HydrophobicContact CE1-CD2 3.35Å; F8-F55 HydrophobicContact CE1-CE2 4.21Å; F8-F55 AromaticContact CE1-CG 3.84Å; F8-F55 HydrophobicContact CE1-CG 3.84Å; F8-F55 HydrophobicContact CE2-CD2 4.22Å; F8-F55 AromaticContact CG-CD2 3.94Å; F8-F55 HydrophobicContact CG-CD2 3.94Å; F8-F55 HydrophobicContact CG-CE2 4.25Å; F8-F55 HydrophobicContact CZ-CB 3.7Å; F8-F55 AromaticContact CZ-CD2 3.78Å; F8-F55 HydrophobicContact CZ-CD2 3.78Å; F8-F55 HydrophobicContact CZ-CG 4.19Å; F9-F55 HydrophobicContact CD1-CE2 4.43Å; F9-F55 HydrophobicContact CE1-CE1 4.33Å; F9-F55 AromaticContact CE1-CE2 3.74Å; F9-F55 HydrophobicContact CE1-CE2 3.74Å; F9-F55 AromaticContact CE1-CZ 3.46Å; F9-F55 HydrophobicContact CE1-CZ 3.46Å; F9-F55 VanDerWaalsContact CE1-CZ 3.46Å; F9-F55 HydrophobicContact CZ-CZ 4.07Å; E17-F55 HydrophobicContact CB-CB 3.83Å; E17-F55 HydrophobicContact CG-CB 4.3Å; E17-F55 PolarHBondContact O-N 3.35Å; F55-F58 HydrophobicContact CD2-CD1 4.13Å; F55-F58 HydrophobicContact CE2-CD1 4.05Å; F55-C59 WeakPolarHBondContact O-CB 3.17Å; F55-C59 PolarHBondContact O-N 3.04Å; F55-C59 PolarHBondContact O-SG 2.83Å; F55-L66 HydrophobicContact CD1-CD1 3.42Å; F55-L66 VanDerWaalsContact CD1-CD1 3.42Å; F55-L66 HydrophobicContact CE1-CD1 3.8Å; F55-L66 HydrophobicContact CG-CD1 4.14Å; F55-M69 HydrophobicContact CE1-CB 3.85Å; F55-M69 HydrophobicContact CZ-CB 3.42Å; F55-M69 VanDerWaalsContact CZ-CB 3.42Å; F55-M69 HydrophobicContact CZ-CG 4.4Å; F55-R70 HydrophobicContact CD1-CG 4.16Å; F55-R70 HydrophobicContact CE1-CG 3.95Å
56	D	95.3	Very high	92.8	Very high	76 Å²	76	49.1 Å²	49.1	41%	0.406	25%	0.254	S	S	.	.	H	α-helix	trans	-61	-49.9	170.9	179.7	85.5	0	0	0	111.4	T54 F58 C59 R60 L66	T54-D56 VanDerWaalsContact C-N 3.26Å; T54-D56 PolarHBondContact O-N 3.41Å; D56-F58 VanDerWaalsContact C-N 3.34Å; D56-F58 PolarHBondContact O-N 3.45Å; D56-C59 PolarHBondContact O-N 2.92Å; D56-R60 WeakPolarHBondContact O-CB 3.48Å; D56-R60 PolarHBondContact O-N 3.25Å; D56-L66 HydrophobicContact CB-CD2 4.09Å; D56-L66 WeakPolarHBondContact OD1-CD2 3.38Å
57	E	95.1	Very high	92.7	Very high	11 Å²	11	54 Å²	54	5%	0.051	28%	0.28	C	S	.	.	H	α-helix	trans	-59.6	-43.6	176.6	-84.2	177.6	133.4	0	0	113	C45 T47 I53 T54 R60 G61	C45-E57 VanDerWaalsContact O-CB 3.24Å; C45-E57 WeakPolarHBondContact O-CB 3.27Å; C45-E57 WeakPolarHBondContact O-CG 3.43Å; T47-E57 PolarHBondContact N-OE1 3.05Å; T47-E57 PolarHBondContact OG1-OE1 3.44Å; I53-E57 HydrophobicContact CG2-CB 4.49Å; T54-E57 PolarHBondContact N-OE2 2.82Å; T54-E57 WeakPolarHBondContact O-CB 3.45Å; T54-E57 PolarHBondContact O-N 3.48Å; T54-E57 VanDerWaalsContact OG1-CB 3.28Å; T54-E57 WeakPolarHBondContact OG1-CB 3.43Å; T54-E57 VanDerWaalsContact OG1-CG 3.22Å; T54-E57 WeakPolarHBondContact OG1-CG 3.5Å; T54-E57 PolarHBondContact OG1-N 3.26Å; T54-E57 PolarHBondContact OG1-OE2 2.98Å; E57-R60 PolarHBondContact O-N 2.7Å; E57-G61 PolarHBondContact O-N 3.14Å
58	F	94.6	Very high	92.7	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-58.3	-51.1	174	175.5	-94	0	0	0	111	M1 L4 I5 F8 W41 I53 T54 F55 D56 R60 G61 F62 I64	M1-F58 HydrophobicContact CE-CZ 4.32Å; L4-F58 HydrophobicContact CB-CE2 4.31Å; L4-F58 HydrophobicContact CB-CZ 3.93Å; L4-F58 WeakPolarHBondContact O-CZ 3.14Å; I5-F58 HydrophobicContact CB-CE1 4.41Å; I5-F58 HydrophobicContact CG1-CE1 3.95Å; I5-F58 HydrophobicContact CG1-CZ 4.31Å; F8-F58 HydrophobicContact CB-CD1 4.5Å; F8-F58 HydrophobicContact CB-CE1 4.31Å; F8-F58 HydrophobicContact CB-CE2 4.41Å; F8-F58 HydrophobicContact CB-CZ 4.28Å; F8-F58 HydrophobicContact CD2-CB 3.83Å; F8-F58 HydrophobicContact CD2-CD1 4.1Å; F8-F58 AromaticContact CD2-CD2 3.71Å; F8-F58 HydrophobicContact CD2-CD2 3.71Å; F8-F58 HydrophobicContact CD2-CE2 4.31Å; F8-F58 AromaticContact CD2-CG 3.59Å; F8-F58 HydrophobicContact CD2-CG 3.59Å; F8-F58 HydrophobicContact CE2-CB 3.78Å; F8-F58 HydrophobicContact CE2-CD2 4.42Å; F8-F58 HydrophobicContact CE2-CG 4.08Å; F8-F58 HydrophobicContact CG-CD1 4.36Å; F8-F58 HydrophobicContact CG-CG 4.29Å; W41-F58 HydrophobicContact CD2-CE2 4.39Å; W41-F58 HydrophobicContact CE3-CD2 4.15Å; W41-F58 HydrophobicContact CE3-CE2 4.23Å; W41-F58 HydrophobicContact CH2-CD2 4.01Å; W41-F58 AromaticContact CH2-CE2 3.43Å; W41-F58 HydrophobicContact CH2-CE2 3.43Å; W41-F58 VanDerWaalsContact CH2-CE2 3.43Å; W41-F58 HydrophobicContact CH2-CZ 4.23Å; W41-F58 HydrophobicContact CZ2-CD2 4.42Å; W41-F58 AromaticContact CZ2-CE2 3.58Å; W41-F58 HydrophobicContact CZ2-CE2 3.58Å; W41-F58 HydrophobicContact CZ2-CZ 4.38Å; W41-F58 AromaticContact CZ3-CD2 3.86Å; W41-F58 HydrophobicContact CZ3-CD2 3.86Å; W41-F58 AromaticContact CZ3-CE2 3.78Å; W41-F58 HydrophobicContact CZ3-CE2 3.78Å; I53-F58 HydrophobicContact CG2-CB 3.93Å; T54-F58 WeakPolarHBondContact O-CB 3.33Å; T54-F58 PolarHBondContact O-N 3.27Å; F55-F58 HydrophobicContact CD2-CD1 4.13Å; F55-F58 HydrophobicContact CE2-CD1 4.05Å; D56-F58 VanDerWaalsContact C-N 3.34Å; D56-F58 PolarHBondContact O-N 3.45Å; F58-R60 PolarHBondContact O-N 2.75Å; F58-G61 PolarHBondContact O-N 3.34Å; F58-F62 AromaticContact CD2-CD2 3.69Å; F58-F62 HydrophobicContact CD2-CD2 3.69Å; F58-F62 AromaticContact CD2-CE2 3.64Å; F58-F62 HydrophobicContact CD2-CE2 3.64Å; F58-F62 HydrophobicContact CE1-CD2 4.34Å; F58-F62 AromaticContact CE2-CD2 3.45Å; F58-F62 HydrophobicContact CE2-CD2 3.45Å; F58-F62 VanDerWaalsContact CE2-CD2 3.45Å; F58-F62 AromaticContact CE2-CE2 3.34Å; F58-F62 HydrophobicContact CE2-CE2 3.34Å; F58-F62 HydrophobicContact CE2-CZ 4.48Å; F58-F62 HydrophobicContact CG-CD2 4.23Å; F58-F62 AromaticContact CZ-CD2 3.8Å; F58-F62 HydrophobicContact CZ-CD2 3.8Å; F58-F62 HydrophobicContact CZ-CE2 4.09Å; F58-F62 WeakPolarHBondContact O-CD2 3.48Å; F58-F62 PolarHBondContact O-N 3.45Å; F58-F62 VanDerWaalsContact O-N 3.09Å; F58-I64 HydrophobicContact CD1-CD1 4.29Å; F58-I64 HydrophobicContact CE1-CD1 3.67Å; F58-I64 HydrophobicContact CZ-CD1 4.33Å
59	C	93.2	Very high	92.7	Very high	2 Å²	2	48.1 Å²	48.1	1%	0.014	24%	0.244	C	C	.	.	H	α-helix	trans	-60.8	-46.2	179.4	-73.5	0	0	0	0	111.5	F55 D56 F62 G63 I64 L66	F55-C59 WeakPolarHBondContact O-CB 3.17Å; F55-C59 PolarHBondContact O-N 3.04Å; F55-C59 PolarHBondContact O-SG 2.83Å; D56-C59 PolarHBondContact O-N 2.92Å; C59-F62 PolarHBondContact O-N 3.44Å; C59-G63 WeakPolarHBondContact O-CA 3.14Å; C59-G63 PolarHBondContact O-N 2.76Å; C59-I64 HydrophobicContact CB-CB 4.32Å; C59-I64 WeakPolarHBondContact CB-O 3.33Å; C59-I64 PolarHBondContact O-N 3.4Å; C59-L66 HydrophobicContact CB-CB 4.19Å; C59-L66 HydrophobicContact CB-CD1 4.28Å
60	R	91.8	Very high	92.8	Very high	119 Å²	119	44.2 Å²	44.2	45%	0.449	23%	0.225	S	C	.	.	H	α-helix	trans	-63.1	-44.2	177.6	-178.3	169.6	54.6	116.3	2.9	112.1	T47 D56 E57 F58 F62 G63	T47-R60 PolarHBondContact OG1-NH2 3.13Å; D56-R60 WeakPolarHBondContact O-CB 3.48Å; D56-R60 PolarHBondContact O-N 3.25Å; E57-R60 PolarHBondContact O-N 2.7Å; F58-R60 PolarHBondContact O-N 2.75Å; R60-F62 VanDerWaalsContact C-N 3.3Å; R60-F62 PolarHBondContact O-N 2.78Å; R60-G63 PolarHBondContact O-N 3.11Å
61	G	90.1	Very high	92.7	Very high	16 Å²	16	44.7 Å²	44.7	17%	0.165	23%	0.23	C	C	.	.	H	α-helix	trans	-60.3	-39.4	178.9	0	0	0	0	0	112.4	R44 E57 F58	R44-G61 PolarHBondContact NE-O 3.28Å; R44-G61 PolarHBondContact NH2-O 2.93Å; E57-G61 PolarHBondContact O-N 3.14Å; F58-G61 PolarHBondContact O-N 3.34Å
62	F	89.6	Confident	92.7	Very high	28 Å²	28	41 Å²	41	12%	0.123	21%	0.21	C	C	.	.	H	α-helix	trans	-96.9	-3.1	-178.5	-71.5	-67	0	0	0	115	M1 L4 C45 F58 C59 R60 I64	M1-F62 HydrophobicContact CE-CB 3.73Å; M1-F62 HydrophobicContact CE-CD1 4.14Å; M1-F62 HydrophobicContact CE-CD2 4.31Å; M1-F62 HydrophobicContact CE-CG 3.8Å; M1-F62 HydrophobicContact SD-CB 3.84Å; M1-F62 HydrophobicContact SD-CD1 4.31Å; M1-F62 HydrophobicContact SD-CG 4.27Å; L4-F62 HydrophobicContact CD1-CD1 4.07Å; L4-F62 HydrophobicContact CD1-CE1 3.63Å; L4-F62 HydrophobicContact CD1-CE2 4.43Å; L4-F62 HydrophobicContact CD1-CZ 3.85Å; C45-F62 WeakPolarHBondContact SG-CE2 3.35Å; F58-F62 AromaticContact CD2-CD2 3.69Å; F58-F62 HydrophobicContact CD2-CD2 3.69Å; F58-F62 AromaticContact CD2-CE2 3.64Å; F58-F62 HydrophobicContact CD2-CE2 3.64Å; F58-F62 HydrophobicContact CE1-CD2 4.34Å; F58-F62 AromaticContact CE2-CD2 3.45Å; F58-F62 HydrophobicContact CE2-CD2 3.45Å; F58-F62 VanDerWaalsContact CE2-CD2 3.45Å; F58-F62 AromaticContact CE2-CE2 3.34Å; F58-F62 HydrophobicContact CE2-CE2 3.34Å; F58-F62 HydrophobicContact CE2-CZ 4.48Å; F58-F62 HydrophobicContact CG-CD2 4.23Å; F58-F62 AromaticContact CZ-CD2 3.8Å; F58-F62 HydrophobicContact CZ-CD2 3.8Å; F58-F62 HydrophobicContact CZ-CE2 4.09Å; F58-F62 WeakPolarHBondContact O-CD2 3.48Å; F58-F62 PolarHBondContact O-N 3.45Å; F58-F62 VanDerWaalsContact O-N 3.09Å; C59-F62 PolarHBondContact O-N 3.44Å; R60-F62 VanDerWaalsContact C-N 3.3Å; R60-F62 PolarHBondContact O-N 2.78Å; F62-I64 HydrophobicContact CB-CD1 3.64Å; F62-I64 HydrophobicContact CB-CG1 3.71Å
63	G	87.8	Confident	92.5	Very high	38 Å²	38	37.1 Å²	37.1	39%	0.392	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.4	43	180	0	0	0	0	0	113.5	C59 R60 Y184	C59-G63 WeakPolarHBondContact O-CA 3.14Å; C59-G63 PolarHBondContact O-N 2.76Å; R60-G63 PolarHBondContact O-N 3.11Å; G63-Y184 VanDerWaalsContact O-CE2 3.29Å; G63-Y184 WeakPolarHBondContact O-CE2 3.31Å; G63-Y184 PolarHBondContact O-OH 3.04Å
64	I	89.6	Confident	92.2	Very high	9 Å²	9	41.4 Å²	41.4	5%	0.046	22%	0.219	C	C	.	.			trans	-111.2	141.1	-175.2	-41.3	170.4	0	0	0	109.6	M1 I5 F58 C59 F62 L66 M69 Y184	M1-I64 HydrophobicContact CE-CD1 3.36Å; M1-I64 HydrophobicContact CE-CG1 4.18Å; M1-I64 HydrophobicContact CG-CD1 4.36Å; M1-I64 HydrophobicContact CG-CG1 4.45Å; M1-I64 HydrophobicContact SD-CD1 4.01Å; M1-I64 HydrophobicContact SD-CG1 4.18Å; I5-I64 HydrophobicContact CD1-CD1 3.93Å; I5-I64 HydrophobicContact CD1-CG2 4.2Å; I5-I64 HydrophobicContact CG1-CD1 3.62Å; F58-I64 HydrophobicContact CD1-CD1 4.29Å; F58-I64 HydrophobicContact CE1-CD1 3.67Å; F58-I64 HydrophobicContact CZ-CD1 4.33Å; C59-I64 HydrophobicContact CB-CB 4.32Å; C59-I64 WeakPolarHBondContact CB-O 3.33Å; C59-I64 PolarHBondContact O-N 3.4Å; F62-I64 HydrophobicContact CB-CD1 3.64Å; F62-I64 HydrophobicContact CB-CG1 3.71Å; I64-L66 PolarHBondContact O-N 3.12Å; I64-L66 VanDerWaalsContact O-N 3.09Å; I64-M69 HydrophobicContact CB-CG 4.44Å; I64-M69 HydrophobicContact CG2-CE 4.31Å; I64-M69 HydrophobicContact CG2-CG 3.31Å; I64-M69 HydrophobicContact CG2-SD 3.53Å; I64-M69 VanDerWaalsContact CG2-SD 3.53Å; I64-Y184 PolarHBondContact N-OH 3.14Å; I64-Y184 PolarHBondContact O-OH 3.38Å
65	K	89.5	Confident	91.9	Very high	38 Å²	38	39.9 Å²	39.9	17%	0.165	21%	0.209	C	C	.	.			trans	-72.8	103.6	-179.7	-67	176.5	-178.5	171.9	0	110.5	N67 E68 M69 D140 E159 Y184	K65-N67 PolarHBondContact O-N 2.87Å; K65-E68 HydrophobicContact CB-CB 4.13Å; K65-E68 HydrophobicContact CB-CG 3.94Å; K65-E68 VanDerWaalsContact CD-CD 3.42Å; K65-E68 HydrophobicContact CD-CG 4.28Å; K65-E68 WeakPolarHBondContact CD-OE1 3.42Å; K65-E68 IonicContact NZ-OE1 3.65Å; K65-E68 PolarHBondContact O-N 3.39Å; K65-E68 VanDerWaalsContact O-N 3.14Å; K65-M69 WeakPolarHBondContact O-CG 3.41Å; K65-M69 PolarHBondContact O-N 3Å; K65-M69 VanDerWaalsContact O-N 3.11Å; K65-D140 IonicContact NZ-OD2 2.63Å; K65-D140 PolarHBondContact NZ-OD2 3.1Å; K65-E159 IonicContact NZ-OE2 3.89Å; K65-Y184 PolarHBondContact N-OH 3.46Å
66	L	91.2	Very high	91.6	Very high	28 Å²	28	42.4 Å²	42.4	15%	0.147	22%	0.219	C	C	.	.	H	α-helix	trans	-49.2	-52	-176.5	176.9	62.3	0	0	0	113.3	F55 D56 C59 I64 E68 M69 R70	F55-L66 HydrophobicContact CD1-CD1 3.42Å; F55-L66 VanDerWaalsContact CD1-CD1 3.42Å; F55-L66 HydrophobicContact CE1-CD1 3.8Å; F55-L66 HydrophobicContact CG-CD1 4.14Å; D56-L66 HydrophobicContact CB-CD2 4.09Å; D56-L66 WeakPolarHBondContact OD1-CD2 3.38Å; C59-L66 HydrophobicContact CB-CB 4.19Å; C59-L66 HydrophobicContact CB-CD1 4.28Å; I64-L66 PolarHBondContact O-N 3.12Å; I64-L66 VanDerWaalsContact O-N 3.09Å; L66-E68 VanDerWaalsContact C-N 3.3Å; L66-E68 PolarHBondContact O-N 2.55Å; L66-M69 PolarHBondContact O-N 2.75Å; L66-M69 VanDerWaalsContact O-N 3.13Å; L66-R70 HydrophobicContact CD1-CG 4.39Å; L66-R70 PolarHBondContact O-N 3.04Å
67	N	92.1	Very high	91	Very high	118 Å²	118	40.9 Å²	40.9	63%	0.631	22%	0.217	S	C	*	.	H	α-helix	trans	-62.1	-38.1	-176.1	-69.9	-21.1	0	0	0	112.3	K65 M69 R70 V71	K65-N67 PolarHBondContact O-N 2.87Å; N67-M69 VanDerWaalsContact C-N 3.34Å; N67-R70 PolarHBondContact O-N 2.77Å; N67-V71 WeakPolarHBondContact O-CG2 3.47Å; N67-V71 PolarHBondContact O-N 3.36Å; N67-V71 VanDerWaalsContact O-N 3.13Å
68	E	92	Very high	90.3	Very high	48 Å²	48	43.7 Å²	43.7	22%	0.224	23%	0.232	C	C	.	.	H	α-helix	trans	-67.9	-38.1	177	-63.7	-175.5	175.8	0	0	111.6	K65 L66 V71 E72 R177	K65-E68 HydrophobicContact CB-CB 4.13Å; K65-E68 HydrophobicContact CB-CG 3.94Å; K65-E68 VanDerWaalsContact CD-CD 3.42Å; K65-E68 HydrophobicContact CD-CG 4.28Å; K65-E68 WeakPolarHBondContact CD-OE1 3.42Å; K65-E68 IonicContact NZ-OE1 3.65Å; K65-E68 PolarHBondContact O-N 3.39Å; K65-E68 VanDerWaalsContact O-N 3.14Å; L66-E68 VanDerWaalsContact C-N 3.3Å; L66-E68 PolarHBondContact O-N 2.55Å; E68-V71 PolarHBondContact O-N 3.18Å; E68-E72 WeakPolarHBondContact O-CB 3.5Å; E68-E72 PolarHBondContact O-N 3.34Å; E68-R177 IonicContact OE1-CZ 2.9Å; E68-R177 IonicContact OE1-NH1 3.36Å; E68-R177 PolarHBondContact OE1-NH1 3.29Å; E68-R177 IonicContact OE1-NH2 3.52Å; E68-R177 IonicContact OE2-CZ 2.7Å; E68-R177 IonicContact OE2-NH1 3.62Å; E68-R177 PolarHBondContact OE2-NH1 2.95Å; E68-R177 IonicContact OE2-NH2 3.79Å; E68-R177 PolarHBondContact OE2-NH2 3.34Å
69	M	93.5	Very high	89	Confident	4 Å²	4	46.5 Å²	46.5	2%	0.02	25%	0.246	C	C	.	.	H	α-helix	trans	-72.5	-31.4	178.9	-56.4	-64.1	94.3	0	0	112.3	I5 F9 F55 I64 K65 L66 N67 E72 K73 F161	I5-M69 HydrophobicContact CD1-SD 3.69Å; I5-M69 HydrophobicContact CG1-SD 4.4Å; I5-M69 HydrophobicContact CG2-SD 4.07Å; F9-M69 HydrophobicContact CZ-CB 4.45Å; F9-M69 WeakPolarHBondContact CZ-O 3.18Å; F55-M69 HydrophobicContact CE1-CB 3.85Å; F55-M69 HydrophobicContact CZ-CB 3.42Å; F55-M69 VanDerWaalsContact CZ-CB 3.42Å; F55-M69 HydrophobicContact CZ-CG 4.4Å; I64-M69 HydrophobicContact CB-CG 4.44Å; I64-M69 HydrophobicContact CG2-CE 4.31Å; I64-M69 HydrophobicContact CG2-CG 3.31Å; I64-M69 HydrophobicContact CG2-SD 3.53Å; I64-M69 VanDerWaalsContact CG2-SD 3.53Å; K65-M69 WeakPolarHBondContact O-CG 3.41Å; K65-M69 PolarHBondContact O-N 3Å; K65-M69 VanDerWaalsContact O-N 3.11Å; L66-M69 PolarHBondContact O-N 2.75Å; L66-M69 VanDerWaalsContact O-N 3.13Å; N67-M69 VanDerWaalsContact C-N 3.34Å; M69-E72 PolarHBondContact O-N 3.23Å; M69-K73 WeakPolarHBondContact O-CB 3.17Å; M69-K73 PolarHBondContact O-N 2.89Å; M69-F161 HydrophobicContact CE-CD2 3.96Å; M69-F161 HydrophobicContact SD-CD2 3.79Å; M69-F161 HydrophobicContact SD-CE2 3.78Å
70	R	94	Very high	87.4	Confident	92 Å²	92	56.4 Å²	56.4	35%	0.347	28%	0.283	S	S	.	.	H	α-helix	trans	-61.7	-45.2	169.3	-76.1	-177.6	169.1	146.3	-0.9	111.6	E17 F55 L66 N67 E72 K73 V74	E17-R70 WeakPolarHBondContact OE1-CG 3.35Å; E17-R70 IonicContact OE1-CZ 3.06Å; E17-R70 IonicContact OE1-NE 3.98Å; E17-R70 PolarHBondContact OE1-NE 3.23Å; E17-R70 IonicContact OE1-NH2 3.39Å; E17-R70 IonicContact OE2-CZ 2.59Å; E17-R70 IonicContact OE2-NE 3.21Å; E17-R70 PolarHBondContact OE2-NE 2.66Å; E17-R70 IonicContact OE2-NH2 3.74Å; E17-R70 PolarHBondContact OE2-NH2 3.3Å; F55-R70 HydrophobicContact CD1-CG 4.16Å; F55-R70 HydrophobicContact CE1-CG 3.95Å; L66-R70 HydrophobicContact CD1-CG 4.39Å; L66-R70 PolarHBondContact O-N 3.04Å; N67-R70 PolarHBondContact O-N 2.77Å; R70-E72 VanDerWaalsContact C-N 3.33Å; R70-E72 PolarHBondContact O-N 2.72Å; R70-K73 PolarHBondContact O-N 3.23Å; R70-V74 WeakPolarHBondContact O-CG2 3.44Å; R70-V74 PolarHBondContact O-N 3.02Å; R70-V74 VanDerWaalsContact O-N 3.11Å
71	V	92	Very high	86.2	Confident	80 Å²	80	56.2 Å²	56.2	49%	0.485	29%	0.291	S	S	.	.	H	α-helix	trans	-60.6	-44.8	174.4	173.4	0	0	0	0	110.6	N67 E68 K73 V74 E75	N67-V71 WeakPolarHBondContact O-CG2 3.47Å; N67-V71 PolarHBondContact O-N 3.36Å; N67-V71 VanDerWaalsContact O-N 3.13Å; E68-V71 PolarHBondContact O-N 3.18Å; V71-K73 VanDerWaalsContact C-N 3.34Å; V71-K73 PolarHBondContact O-N 2.68Å; V71-V74 PolarHBondContact O-N 3.26Å; V71-E75 HydrophobicContact CG1-CG 4.3Å; V71-E75 WeakPolarHBondContact O-CG 3.49Å; V71-E75 PolarHBondContact O-N 3Å
72	E	92.9	Very high	85	Confident	0 Å²	0	62.7 Å²	62.7	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-61.1	-42.1	177.5	-173	72.6	-162	0	0	112	F9 E68 M69 R70 V74 E75 R76 S99 K102 F161	F9-E72 HydrophobicContact CE2-CG 4.42Å; E68-E72 WeakPolarHBondContact O-CB 3.5Å; E68-E72 PolarHBondContact O-N 3.34Å; M69-E72 PolarHBondContact O-N 3.23Å; R70-E72 VanDerWaalsContact C-N 3.33Å; R70-E72 PolarHBondContact O-N 2.72Å; E72-V74 VanDerWaalsContact C-N 3.34Å; E72-V74 PolarHBondContact O-N 2.92Å; E72-E75 PolarHBondContact O-N 3.4Å; E72-R76 HydrophobicContact CG-CG 4.47Å; E72-R76 WeakPolarHBondContact O-CB 3.45Å; E72-R76 WeakPolarHBondContact O-CG 3.47Å; E72-R76 PolarHBondContact O-N 2.89Å; E72-R76 IonicContact OE1-CZ 2.88Å; E72-R76 IonicContact OE1-NE 3.57Å; E72-R76 PolarHBondContact OE1-NE 3.43Å; E72-R76 IonicContact OE1-NH2 2.63Å; E72-S99 WeakPolarHBondContact OE1-CB 3.34Å; E72-S99 PolarHBondContact OE1-N 2.86Å; E72-S99 VanDerWaalsContact OE1-N 3.11Å; E72-K102 IonicContact OE2-NZ 2.55Å; E72-K102 PolarHBondContact OE2-NZ 3.11Å; E72-F161 HydrophobicContact CB-CD2 4.33Å; E72-F161 HydrophobicContact CG-CB 4.21Å; E72-F161 HydrophobicContact CG-CD2 3.54Å; E72-F161 HydrophobicContact CG-CE2 3.95Å; E72-F161 HydrophobicContact CG-CG 3.97Å
73	K	92	Very high	83.9	Confident	26 Å²	26	65.9 Å²	65.9	11%	0.113	34%	0.344	C	S	.	.	H	α-helix	trans	-58.1	-47.5	177.4	-165.7	-178.2	-176	-166.6	0	110.9	F9 D12 N15 M69 R70 V71 R76 A77	F9-K73 HydrophobicContact CD1-CB 4.27Å; F9-K73 HydrophobicContact CD1-CD 3.88Å; F9-K73 HydrophobicContact CD1-CG 3.82Å; F9-K73 HydrophobicContact CD2-CG 4.46Å; F9-K73 HydrophobicContact CE1-CB 3.72Å; F9-K73 HydrophobicContact CE1-CD 3.91Å; F9-K73 HydrophobicContact CE1-CG 3.79Å; F9-K73 HydrophobicContact CE2-CB 4.11Å; F9-K73 HydrophobicContact CE2-CG 4.44Å; F9-K73 HydrophobicContact CG-CG 4.17Å; F9-K73 HydrophobicContact CZ-CB 3.65Å; F9-K73 HydrophobicContact CZ-CG 4.12Å; D12-K73 IonicContact OD1-NZ 3.96Å; D12-K73 IonicContact OD2-NZ 2.81Å; D12-K73 PolarHBondContact OD2-NZ 3.27Å; N15-K73 WeakPolarHBondContact OD1-CE 3.42Å; N15-K73 PolarHBondContact OD1-NZ 3.34Å; M69-K73 WeakPolarHBondContact O-CB 3.17Å; M69-K73 PolarHBondContact O-N 2.89Å; R70-K73 PolarHBondContact O-N 3.23Å; V71-K73 VanDerWaalsContact C-N 3.34Å; V71-K73 PolarHBondContact O-N 2.68Å; K73-R76 PolarHBondContact O-N 2.81Å; K73-A77 WeakPolarHBondContact O-CB 3.47Å; K73-A77 PolarHBondContact O-N 2.97Å
74	V	89.8	Confident	82.9	Confident	91 Å²	91	68 Å²	68	55%	0.552	35%	0.349	S	S	*	.	H	α-helix	trans	-63.9	-47.4	177	174.1	0	0	0	0	111.2	R70 V71 E72 R76 A77 L78	R70-V74 WeakPolarHBondContact O-CG2 3.44Å; R70-V74 PolarHBondContact O-N 3.02Å; R70-V74 VanDerWaalsContact O-N 3.11Å; V71-V74 PolarHBondContact O-N 3.26Å; E72-V74 VanDerWaalsContact C-N 3.34Å; E72-V74 PolarHBondContact O-N 2.92Å; V74-R76 PolarHBondContact O-N 3.11Å; V74-A77 WeakPolarHBondContact O-CB 3.27Å; V74-A77 PolarHBondContact O-N 3.14Å; V74-A77 VanDerWaalsContact O-N 3.1Å; V74-L78 PolarHBondContact O-N 3.31Å; V74-L78 VanDerWaalsContact O-N 3.14Å
75	E	89.1	Confident	82.2	Confident	12 Å²	12	69.4 Å²	69.4	6%	0.056	36%	0.359	C	S	.	.	H	α-helix	trans	-63.2	-30.2	-179.4	-74.3	-171.5	151.3	0	0	113	V71 E72 S99 T101 K102 K105	V71-E75 HydrophobicContact CG1-CG 4.3Å; V71-E75 WeakPolarHBondContact O-CG 3.49Å; V71-E75 PolarHBondContact O-N 3Å; E72-E75 PolarHBondContact O-N 3.4Å; E75-S99 WeakPolarHBondContact CB-OG 3.4Å; E75-S99 PolarHBondContact OE2-OG 3.33Å; E75-T101 HydrophobicContact CG-CG2 4.14Å; E75-K102 WeakPolarHBondContact OE2-CE 3.45Å; E75-K105 IonicContact OE1-NZ 2.66Å; E75-K105 PolarHBondContact OE1-NZ 2.65Å
76	R	87.6	Confident	81.5	Confident	55 Å²	55	74.1 Å²	74.1	21%	0.208	39%	0.39	C	S	.	.	H	α-helix	trans	-77.7	-33.5	173.4	-72.4	177	171.5	-122.5	0.6	112.4	E6 E72 K73 V74 L78 I79 A97	E6-R76 IonicContact OE1-CZ 3.78Å; E6-R76 IonicContact OE1-NH1 2.72Å; E6-R76 PolarHBondContact OE1-NH1 3.07Å; E6-R76 IonicContact OE1-NH2 2.77Å; E6-R76 PolarHBondContact OE1-NH2 3.21Å; E72-R76 HydrophobicContact CG-CG 4.47Å; E72-R76 WeakPolarHBondContact O-CB 3.45Å; E72-R76 WeakPolarHBondContact O-CG 3.47Å; E72-R76 PolarHBondContact O-N 2.89Å; E72-R76 IonicContact OE1-CZ 2.88Å; E72-R76 IonicContact OE1-NE 3.57Å; E72-R76 PolarHBondContact OE1-NE 3.43Å; E72-R76 IonicContact OE1-NH2 2.63Å; K73-R76 PolarHBondContact O-N 2.81Å; V74-R76 PolarHBondContact O-N 3.11Å; R76-L78 VanDerWaalsContact C-N 3.32Å; R76-L78 PolarHBondContact O-N 3.1Å; R76-I79 PolarHBondContact O-N 2.85Å; R76-A97 PolarHBondContact NH2-O 3.3Å
77	A	84.3	Confident	81.1	Confident	44 Å²	44	77.9 Å²	77.9	36%	0.364	41%	0.406	S	S	.	.	H	α-helix	trans	-61.9	-37.1	174.2	0	0	0	0	0	112.6	K73 V74 I79 W80	K73-A77 WeakPolarHBondContact O-CB 3.47Å; K73-A77 PolarHBondContact O-N 2.97Å; V74-A77 WeakPolarHBondContact O-CB 3.27Å; V74-A77 PolarHBondContact O-N 3.14Å; V74-A77 VanDerWaalsContact O-N 3.1Å; A77-I79 PolarHBondContact O-N 3.4Å; A77-I79 VanDerWaalsContact O-N 3.08Å; A77-W80 WeakPolarHBondContact O-CB 3.17Å; A77-W80 PolarHBondContact O-N 3.48Å
78	L	78.9	Confident	80.9	Confident	70 Å²	70	74.1 Å²	74.1	37%	0.366	39%	0.387	S	S	.	.	H	α-helix	trans	-58.2	-24.9	179.5	-68.8	173.5	0	0	0	114.2	V74 R76 W80 D81	V74-L78 PolarHBondContact O-N 3.31Å; V74-L78 VanDerWaalsContact O-N 3.14Å; R76-L78 VanDerWaalsContact C-N 3.32Å; R76-L78 PolarHBondContact O-N 3.1Å; L78-W80 VanDerWaalsContact C-N 3.32Å; L78-D81 PolarHBondContact O-N 2.93Å
79	I	68	Low	80.9	Confident	58 Å²	58	77.2 Å²	77.2	30%	0.297	42%	0.421	S	S	.	.	H	α-helix	trans	-67.5	-35.9	175.1	-61.2	173	0	0	0	110.6	R76 A77 D81 N82 E100	R76-I79 PolarHBondContact O-N 2.85Å; A77-I79 PolarHBondContact O-N 3.4Å; A77-I79 VanDerWaalsContact O-N 3.08Å; I79-D81 PolarHBondContact O-N 3.01Å; I79-N82 PolarHBondContact O-N 3.41Å; I79-N82 VanDerWaalsContact O-N 3.14Å; I79-E100 HydrophobicContact CD1-CB 4Å; I79-E100 HydrophobicContact CD1-CG 3.78Å
80	W	60.1	Low	80.9	Confident	211 Å²	211	79.8 Å²	79.8	80%	0.799	44%	0.435	S	S	*	.	H	α-helix	trans	-66.1	-25.5	176.9	-89.1	-75.2	0	0	0	112.9	A77 L78 N82	A77-W80 WeakPolarHBondContact O-CB 3.17Å; A77-W80 PolarHBondContact O-N 3.48Å; L78-W80 VanDerWaalsContact C-N 3.32Å; W80-N82 PolarHBondContact O-N 3.1Å; W80-N82 VanDerWaalsContact O-N 3.17Å
81	D	66.3	Low	81	Confident	115 Å²	115	75.7 Å²	75.7	62%	0.615	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.1	12.4	175.1	-68.4	-27.5	0	0	0	113	L78 I79 V83	L78-D81 PolarHBondContact O-N 2.93Å; I79-D81 PolarHBondContact O-N 3.01Å; D81-V83 HydrophobicContact CB-CG2 4.43Å; D81-V83 PolarHBondContact O-N 3.18Å; D81-V83 VanDerWaalsContact O-N 3.17Å
82	N	64.2	Low	81.1	Confident	152 Å²	152	74.7 Å²	74.7	81%	0.813	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.5	18.7	-174.9	-66.1	-46.2	0	0	0	114.4	I79 W80 T84	I79-N82 PolarHBondContact O-N 3.41Å; I79-N82 VanDerWaalsContact O-N 3.14Å; W80-N82 PolarHBondContact O-N 3.1Å; W80-N82 VanDerWaalsContact O-N 3.17Å; N82-T84 PolarHBondContact O-N 3.06Å
83	V	67.6	Low	81.3	Confident	95 Å²	95	77.2 Å²	77.2	58%	0.576	43%	0.43	S	S	*	.			trans	-95.3	74.1	174.3	-172.1	0	0	0	0	108.5	D81 P85	D81-V83 HydrophobicContact CB-CG2 4.43Å; D81-V83 PolarHBondContact O-N 3.18Å; D81-V83 VanDerWaalsContact O-N 3.17Å; V83-P85 WeakPolarHBondContact O-CD 3.34Å
84	T	66.6	Low	81.4	Confident	82 Å²	82	80.4 Å²	80.4	50%	0.503	45%	0.447	S	S	.	.			trans	-77.9	123.1	171.6	-55.1	0	0	0	0	109.8	N82 V86 E100	N82-T84 PolarHBondContact O-N 3.06Å; T84-V86 PolarHBondContact O-N 3.28Å; T84-E100 WeakPolarHBondContact CG2-OE2 3.41Å
85	P	74.1	Confident	81.7	Confident	39 Å²	39	81.8 Å²	81.8	25%	0.253	45%	0.446	S	S	.	.			trans	-56.6	126.3	171.1	-22.1	32	0	0	0	110.4	V83 K87 A104	V83-P85 WeakPolarHBondContact O-CD 3.34Å; P85-K87 PolarHBondContact O-N 3.27Å; P85-K87 VanDerWaalsContact O-N 3.1Å; P85-A104 HydrophobicContact CB-CB 3.53Å; P85-A104 HydrophobicContact CG-CB 4.26Å
86	V	75.7	Confident	82	Confident	137 Å²	137	83 Å²	83	83%	0.83	46%	0.456	S	S	*	.			trans	-67.6	113.7	179.6	180	0	0	0	0	109.1	T84	T84-V86 PolarHBondContact O-N 3.28Å
87	K	82.4	Confident	82.4	Confident	107 Å²	107	81 Å²	81	47%	0.465	45%	0.451	S	S	.	.			trans	-77.9	132.7	172.7	-173.2	-176.6	65.2	174	0	110.1	P85 V91 I93	P85-K87 PolarHBondContact O-N 3.27Å; P85-K87 VanDerWaalsContact O-N 3.1Å; K87-V91 HydrophobicContact CD-CB 4.3Å; K87-V91 HydrophobicContact CD-CG1 4.1Å; K87-V91 WeakPolarHBondContact CD-O 3.4Å; K87-V91 WeakPolarHBondContact CE-O 3.42Å; K87-V91 HydrophobicContact CG-CB 4.03Å; K87-V91 HydrophobicContact CG-CG1 4.12Å; K87-V91 PolarHBondContact NZ-O 2.9Å; K87-I93 HydrophobicContact CD-CD1 4.36Å; K87-I93 HydrophobicContact CD-CG1 4.22Å
88	P	89	Confident	82.8	Confident	38 Å²	38	79.2 Å²	79.2	25%	0.247	44%	0.435	C	S	.	.			trans	-57.2	144.9	174.9	-24.1	33.5	0	0	0	112.6	N90 V91 I107	P88-N90 WeakPolarHBondContact CB-OD1 3.31Å; P88-N90 PolarHBondContact O-N 2.61Å; P88-V91 HydrophobicContact CB-CG2 3.98Å; P88-V91 HydrophobicContact CG-CG2 4.23Å; P88-V91 PolarHBondContact O-N 2.89Å; P88-I107 HydrophobicContact CG-CG2 4.42Å
89	A	90.2	Very high	83.5	Confident	113 Å²	113	76 Å²	76	93%	0.934	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-26.7	-176.1	0	0	0	0	0	113.9	V91	A89-V91 VanDerWaalsContact C-N 3.27Å; A89-V91 PolarHBondContact O-N 3.26Å
90	N	93.8	Very high	84.6	Confident	58 Å²	58	76.9 Å²	76.9	31%	0.31	42%	0.421	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.7	6.9	178.1	68.4	-33.3	0	0	0	113.7	P88 M168 D169	P88-N90 WeakPolarHBondContact CB-OD1 3.31Å; P88-N90 PolarHBondContact O-N 2.61Å; N90-M168 WeakPolarHBondContact ND2-CG 3.34Å; N90-M168 WeakPolarHBondContact O-CA 3.3Å; N90-D169 VanDerWaalsContact CB-OD1 3.31Å; N90-D169 WeakPolarHBondContact CB-OD1 3.19Å; N90-D169 VanDerWaalsContact ND2-CG 3.32Å; N90-D169 PolarHBondContact ND2-OD1 3.46Å; N90-D169 VanDerWaalsContact ND2-OD1 3.08Å; N90-D169 PolarHBondContact ND2-OD2 2.94Å; N90-D169 PolarHBondContact O-N 2.94Å
91	V	95.9	Very high	86.1	Confident	6 Å²	6	67.9 Å²	67.9	4%	0.036	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	125.6	-178.1	179.9	0	0	0	0	111.8	K87 P88 A89 I93 I107 F166 K167 M168	K87-V91 HydrophobicContact CD-CB 4.3Å; K87-V91 HydrophobicContact CD-CG1 4.1Å; K87-V91 WeakPolarHBondContact CD-O 3.4Å; K87-V91 WeakPolarHBondContact CE-O 3.42Å; K87-V91 HydrophobicContact CG-CB 4.03Å; K87-V91 HydrophobicContact CG-CG1 4.12Å; K87-V91 PolarHBondContact NZ-O 2.9Å; P88-V91 HydrophobicContact CB-CG2 3.98Å; P88-V91 HydrophobicContact CG-CG2 4.23Å; P88-V91 PolarHBondContact O-N 2.89Å; A89-V91 VanDerWaalsContact C-N 3.27Å; A89-V91 PolarHBondContact O-N 3.26Å; V91-I93 HydrophobicContact CG1-CD1 4.45Å; V91-I107 HydrophobicContact CB-CG2 4.44Å; V91-I107 HydrophobicContact CG1-CD1 3.92Å; V91-I107 HydrophobicContact CG1-CG1 4.32Å; V91-I107 HydrophobicContact CG1-CG2 4.07Å; V91-I107 HydrophobicContact CG2-CG2 3.79Å; V91-F166 HydrophobicContact CG1-CB 4.35Å; V91-F166 HydrophobicContact CG1-CD2 4.02Å; V91-K167 VanDerWaalsContact CA-O 3.3Å; V91-K167 WeakPolarHBondContact CA-O 3.29Å; V91-M168 HydrophobicContact CG2-CB 4.12Å; V91-M168 HydrophobicContact CG2-CG 3.81Å; V91-M168 HydrophobicContact CG2-SD 4.23Å
92	S	95.5	Very high	87.4	Confident	59 Å²	59	63.1 Å²	63.1	41%	0.413	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	130.6	169.2	60.8	0	0	0	0	111.1	F166 K167	S92-F166 CarbonylContact O-C 3.43Å; S92-F166 VanDerWaalsContact O-CA 3.22Å; S92-F166 WeakPolarHBondContact O-CA 3.39Å; S92-F166 WeakPolarHBondContact O-CB 3.48Å; S92-K167 PolarHBondContact N-O 2.86Å; S92-K167 PolarHBondContact O-N 2.83Å
93	I	95.8	Very high	88.9	Confident	54 Å²	54	57.2 Å²	57.2	28%	0.277	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	127.2	174.4	-53.8	-55.4	0	0	0	107.5	K87 V91 I107 L164 F166	K87-I93 HydrophobicContact CD-CD1 4.36Å; K87-I93 HydrophobicContact CD-CG1 4.22Å; V91-I93 HydrophobicContact CG1-CD1 4.45Å; I93-I107 HydrophobicContact CD1-CD1 3.67Å; I93-L164 HydrophobicContact CD1-CD1 4.11Å; I93-L164 HydrophobicContact CG2-CD1 4.37Å; I93-F166 HydrophobicContact CD1-CB 3.95Å
94	I	95.4	Very high	90.2	Very high	93 Å²	93	54.1 Å²	54.1	48%	0.477	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	-47.7	173.8	-60.9	169.3	0	0	0	108.6	F152 Q165 K167	I94-F152 HydrophobicContact CD1-CE1 3.91Å; I94-F152 HydrophobicContact CD1-CZ 3.97Å; I94-Q165 HydrophobicContact CB-CB 4.03Å; I94-Q165 WeakPolarHBondContact CB-O 3.39Å; I94-Q165 HydrophobicContact CG2-CB 4.48Å; I94-Q165 PolarHBondContact N-O 3.14Å; I94-K167 HydrophobicContact CD1-CB 4.44Å
95	K	95.7	Very high	91.5	Very high	119 Å²	119	54.4 Å²	54.4	52%	0.517	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.7	146.6	178.9	-179.6	175.7	-177	-176.3	0	109.5	Q165	K95-Q165 HydrophobicContact CB-CB 4.49Å; K95-Q165 PolarHBondContact N-O 3.17Å; K95-Q165 VanDerWaalsContact N-O 3.14Å; K95-Q165 PolarHBondContact O-N 2.88Å; K95-Q165 VanDerWaalsContact O-O 3.09Å
96	S	95.6	Very high	92.7	Very high	38 Å²	38	52.6 Å²	52.6	27%	0.266	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	148.4	177.3	-176.8	0	0	0	0	110.4	M98 Q103 S163	S96-M98 PolarHBondContact OG-N 2.79Å; S96-M98 VanDerWaalsContact OG-N 3.12Å; S96-M98 PolarHBondContact OG-O 3Å; S96-Q103 VanDerWaalsContact OG-CD 3.29Å; S96-Q103 PolarHBondContact OG-NE2 3.49Å; S96-S163 PolarHBondContact OG-O 3.36Å
97	A	94.9	Very high	93.7	Very high	13 Å²	13	46.2 Å²	46.2	11%	0.107	26%	0.259	C	S	.	.			trans	-111.8	-11.9	161.6	0	0	0	0	0	112.7	E2 R76 F161 S163	E2-A97 WeakPolarHBondContact OE1-CB 3.5Å; R76-A97 PolarHBondContact NH2-O 3.3Å; A97-F161 WeakPolarHBondContact O-CA 3.42Å; A97-F161 WeakPolarHBondContact O-CD1 3.39Å; A97-S163 WeakPolarHBondContact CB-OG 3.41Å; A97-S163 PolarHBondContact N-O 2.9Å
98	M	93.7	Very high	94.3	Very high	6 Å²	6	45.6 Å²	45.6	3%	0.03	26%	0.258	C	S	.	.	S	Bend	trans	-74.2	151.3	-179.1	-69.1	178.4	160.4	0	0	112.7	S96 K102 Q103 V106 W143 F161 S163 L164	S96-M98 PolarHBondContact OG-N 2.79Å; S96-M98 VanDerWaalsContact OG-N 3.12Å; S96-M98 PolarHBondContact OG-O 3Å; M98-K102 HydrophobicContact CB-CB 4.21Å; M98-K102 HydrophobicContact CB-CD 3.99Å; M98-K102 HydrophobicContact CB-CG 4.23Å; M98-K102 HydrophobicContact CE-CD 3.95Å; M98-K102 HydrophobicContact CE-CG 4.28Å; M98-K102 HydrophobicContact CG-CD 3.71Å; M98-K102 HydrophobicContact CG-CG 4.18Å; M98-K102 HydrophobicContact SD-CD 3.89Å; M98-K102 HydrophobicContact SD-CG 3.85Å; M98-Q103 HydrophobicContact CB-CG 3.96Å; M98-Q103 PolarHBondContact O-NE2 3.26Å; M98-V106 HydrophobicContact SD-CG2 4.32Å; M98-W143 HydrophobicContact CE-CH2 3.11Å; M98-W143 HydrophobicContact CE-CZ2 4.2Å; M98-W143 HydrophobicContact CE-CZ3 3.47Å; M98-W143 VanDerWaalsContact CE-CZ3 3.47Å; M98-F161 WeakPolarHBondContact CG-O 3.46Å; M98-S163 WeakPolarHBondContact CG-O 3.36Å; M98-S163 PolarHBondContact N-O 3.43Å; M98-L164 HydrophobicContact SD-CB 3.73Å; M98-L164 HydrophobicContact SD-CD2 4.33Å
99	S	92.7	Very high	94.8	Very high	4 Å²	4	46.6 Å²	46.6	3%	0.028	26%	0.258	C	S	.	.			trans	-52.4	150.2	163.6	75.3	0	0	0	0	112.4	E72 E75 T101 K102 Q103	E72-S99 WeakPolarHBondContact OE1-CB 3.34Å; E72-S99 PolarHBondContact OE1-N 2.86Å; E72-S99 VanDerWaalsContact OE1-N 3.11Å; E75-S99 WeakPolarHBondContact CB-OG 3.4Å; E75-S99 PolarHBondContact OE2-OG 3.33Å; S99-T101 VanDerWaalsContact C-N 3.26Å; S99-T101 PolarHBondContact O-N 2.88Å; S99-K102 PolarHBondContact O-N 3.13Å; S99-K102 VanDerWaalsContact O-N 3.1Å; S99-K102 WeakPolarHBondContact OG-CB 3.49Å; S99-K102 PolarHBondContact OG-N 2.9Å; S99-K102 VanDerWaalsContact OG-N 3.13Å; S99-Q103 VanDerWaalsContact O-CG 3.29Å; S99-Q103 WeakPolarHBondContact O-CG 3.16Å; S99-Q103 PolarHBondContact O-N 3.3Å
100	E	91.5	Very high	95.1	Very high	76 Å²	76	41.2 Å²	41.2	36%	0.355	21%	0.214	S	C	.	.	H	α-helix	trans	-61.7	-35.4	178.9	-65.3	-173.5	160.8	0	0	112.6	I79 T84 K102 Q103 A104	I79-E100 HydrophobicContact CD1-CB 4Å; I79-E100 HydrophobicContact CD1-CG 3.78Å; T84-E100 WeakPolarHBondContact CG2-OE2 3.41Å; E100-K102 VanDerWaalsContact C-N 3.32Å; E100-K102 PolarHBondContact O-N 3.31Å; E100-Q103 WeakPolarHBondContact O-CB 3.45Å; E100-Q103 PolarHBondContact O-N 3.48Å; E100-A104 WeakPolarHBondContact O-CB 3.5Å; E100-A104 PolarHBondContact O-N 2.68Å
101	T	91.5	Very high	95.2	Very high	22 Å²	22	41.1 Å²	41.1	14%	0.135	21%	0.211	C	C	.	.	H	α-helix	trans	-57.7	-45.4	172.8	-59.6	0	0	0	0	111.5	E75 S99 K105	E75-T101 HydrophobicContact CG-CG2 4.14Å; S99-T101 VanDerWaalsContact C-N 3.26Å; S99-T101 PolarHBondContact O-N 2.88Å; T101-K105 WeakPolarHBondContact O-CG 3.3Å; T101-K105 PolarHBondContact O-N 3.34Å
102	K	93.5	Very high	95.2	Very high	14 Å²	14	46 Å²	46	6%	0.061	23%	0.232	C	C	.	.	H	α-helix	trans	-69.5	-40.8	176.8	-171.9	178.4	-68.5	167.1	0	111.5	E72 E75 M98 S99 E100 A104 K105 V106 Y139	E72-K102 IonicContact OE2-NZ 2.55Å; E72-K102 PolarHBondContact OE2-NZ 3.11Å; E75-K102 WeakPolarHBondContact OE2-CE 3.45Å; M98-K102 HydrophobicContact CB-CB 4.21Å; M98-K102 HydrophobicContact CB-CD 3.99Å; M98-K102 HydrophobicContact CB-CG 4.23Å; M98-K102 HydrophobicContact CE-CD 3.95Å; M98-K102 HydrophobicContact CE-CG 4.28Å; M98-K102 HydrophobicContact CG-CD 3.71Å; M98-K102 HydrophobicContact CG-CG 4.18Å; M98-K102 HydrophobicContact SD-CD 3.89Å; M98-K102 HydrophobicContact SD-CG 3.85Å; S99-K102 PolarHBondContact O-N 3.13Å; S99-K102 VanDerWaalsContact O-N 3.1Å; S99-K102 WeakPolarHBondContact OG-CB 3.49Å; S99-K102 PolarHBondContact OG-N 2.9Å; S99-K102 VanDerWaalsContact OG-N 3.13Å; E100-K102 VanDerWaalsContact C-N 3.32Å; E100-K102 PolarHBondContact O-N 3.31Å; K102-A104 VanDerWaalsContact C-N 3.33Å; K102-A104 PolarHBondContact O-N 3.44Å; K102-K105 PolarHBondContact O-N 3.18Å; K102-V106 WeakPolarHBondContact O-CG2 3.38Å; K102-V106 PolarHBondContact O-N 3.45Å; K102-V106 VanDerWaalsContact O-N 3.1Å; K102-Y139 HydrophobicContact CD-CE1 4.22Å; K102-Y139 HydrophobicContact CG-CE1 4.08Å; K102-Y139 HydrophobicContact CG-CE2 4.33Å
103	Q	95.6	Very high	95.2	Very high	29 Å²	29	43.2 Å²	43.2	14%	0.136	21%	0.213	C	C	.	.	H	α-helix	trans	-56	-48	174.2	-66	174.9	39.6	0	0	111.5	S96 M98 S99 E100 K105 V106 I107 L164	S96-Q103 VanDerWaalsContact OG-CD 3.29Å; S96-Q103 PolarHBondContact OG-NE2 3.49Å; M98-Q103 HydrophobicContact CB-CG 3.96Å; M98-Q103 PolarHBondContact O-NE2 3.26Å; S99-Q103 VanDerWaalsContact O-CG 3.29Å; S99-Q103 WeakPolarHBondContact O-CG 3.16Å; S99-Q103 PolarHBondContact O-N 3.3Å; E100-Q103 WeakPolarHBondContact O-CB 3.45Å; E100-Q103 PolarHBondContact O-N 3.48Å; Q103-K105 PolarHBondContact O-N 3.3Å; Q103-V106 PolarHBondContact O-N 2.84Å; Q103-I107 HydrophobicContact CB-CD1 4.36Å; Q103-I107 WeakPolarHBondContact O-CB 3.43Å; Q103-I107 WeakPolarHBondContact O-CD1 3.34Å; Q103-I107 VanDerWaalsContact O-CG1 3.28Å; Q103-I107 WeakPolarHBondContact O-CG1 3.43Å; Q103-I107 PolarHBondContact O-N 3.31Å; Q103-L164 HydrophobicContact CB-CD1 4.46Å; Q103-L164 HydrophobicContact CB-CD2 4.3Å; Q103-L164 HydrophobicContact CG-CD1 3.88Å; Q103-L164 HydrophobicContact CG-CD2 4.34Å
104	A	94.1	Very high	95.2	Very high	30 Å²	30	41.3 Å²	41.3	25%	0.248	20%	0.203	C	C	.	.	H	α-helix	trans	-59.5	-44.9	179.8	0	0	0	0	0	112.1	P85 E100 K102 V106 I107 E108	P85-A104 HydrophobicContact CB-CB 3.53Å; P85-A104 HydrophobicContact CG-CB 4.26Å; E100-A104 WeakPolarHBondContact O-CB 3.5Å; E100-A104 PolarHBondContact O-N 2.68Å; K102-A104 VanDerWaalsContact C-N 3.33Å; K102-A104 PolarHBondContact O-N 3.44Å; A104-V106 VanDerWaalsContact C-N 3.35Å; A104-V106 PolarHBondContact O-N 2.94Å; A104-I107 PolarHBondContact O-N 3.33Å; A104-E108 VanDerWaalsContact O-CB 3.25Å; A104-E108 WeakPolarHBondContact O-CB 3.43Å; A104-E108 PolarHBondContact O-N 3.12Å
105	K	95.3	Very high	95.1	Very high	88 Å²	88	43.4 Å²	43.4	38%	0.383	21%	0.211	S	C	.	.	H	α-helix	trans	-58.9	-44.3	176.2	-69.3	169.2	-175.1	168.6	0	112	E75 T101 K102 Q103 K109 Y139	E75-K105 IonicContact OE1-NZ 2.66Å; E75-K105 PolarHBondContact OE1-NZ 2.65Å; T101-K105 WeakPolarHBondContact O-CG 3.3Å; T101-K105 PolarHBondContact O-N 3.34Å; K102-K105 PolarHBondContact O-N 3.18Å; Q103-K105 PolarHBondContact O-N 3.3Å; K105-K109 WeakPolarHBondContact O-CB 3.23Å; K105-K109 PolarHBondContact O-N 3.11Å; K105-Y139 WeakPolarHBondContact CD-OH 3.47Å
106	V	97.7	Very high	95	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-67.7	-44	179.7	177.5	0	0	0	0	111.3	M98 K102 Q103 A104 K109 F110 L131 L135 Y139 L164 V175	M98-V106 HydrophobicContact SD-CG2 4.32Å; K102-V106 WeakPolarHBondContact O-CG2 3.38Å; K102-V106 PolarHBondContact O-N 3.45Å; K102-V106 VanDerWaalsContact O-N 3.1Å; Q103-V106 PolarHBondContact O-N 2.84Å; A104-V106 VanDerWaalsContact C-N 3.35Å; A104-V106 PolarHBondContact O-N 2.94Å; V106-K109 PolarHBondContact O-N 2.9Å; V106-F110 PolarHBondContact O-N 2.82Å; V106-L131 HydrophobicContact CG1-CD1 4.42Å; V106-L135 HydrophobicContact CG1-CD2 4.29Å; V106-L135 HydrophobicContact CG2-CD2 3.72Å; V106-Y139 HydrophobicContact CG2-CE2 4.33Å; V106-L164 HydrophobicContact CB-CD2 3.88Å; V106-L164 HydrophobicContact CG1-CD2 3.82Å; V106-V175 HydrophobicContact CG1-CG2 4.23Å
107	I	97.5	Very high	94.9	Very high	4 Å²	4	44.8 Å²	44.8	2%	0.021	21%	0.213	C	C	.	.	H	α-helix	trans	-65.5	-45	179.1	-71.1	159.9	0	0	0	110.9	P88 V91 I93 Q103 A104 K109 F110 Q111 L164 F166	P88-I107 HydrophobicContact CG-CG2 4.42Å; V91-I107 HydrophobicContact CB-CG2 4.44Å; V91-I107 HydrophobicContact CG1-CD1 3.92Å; V91-I107 HydrophobicContact CG1-CG1 4.32Å; V91-I107 HydrophobicContact CG1-CG2 4.07Å; V91-I107 HydrophobicContact CG2-CG2 3.79Å; I93-I107 HydrophobicContact CD1-CD1 3.67Å; Q103-I107 HydrophobicContact CB-CD1 4.36Å; Q103-I107 WeakPolarHBondContact O-CB 3.43Å; Q103-I107 WeakPolarHBondContact O-CD1 3.34Å; Q103-I107 VanDerWaalsContact O-CG1 3.28Å; Q103-I107 WeakPolarHBondContact O-CG1 3.43Å; Q103-I107 PolarHBondContact O-N 3.31Å; A104-I107 PolarHBondContact O-N 3.33Å; I107-K109 VanDerWaalsContact C-N 3.32Å; I107-K109 PolarHBondContact O-N 3.36Å; I107-F110 PolarHBondContact O-N 3.03Å; I107-Q111 WeakPolarHBondContact O-CB 3.34Å; I107-Q111 PolarHBondContact O-N 3.13Å; I107-L164 HydrophobicContact CG1-CD2 4.35Å; I107-F166 HydrophobicContact CG1-CD1 4.25Å; I107-F166 HydrophobicContact CG1-CD2 4.13Å; I107-F166 HydrophobicContact CG1-CE1 4.25Å; I107-F166 HydrophobicContact CG1-CE2 4.15Å; I107-F166 HydrophobicContact CG1-CG 4.18Å; I107-F166 HydrophobicContact CG1-CZ 4.2Å
108	E	96.3	Very high	94.3	Very high	94 Å²	94	45.5 Å²	45.5	44%	0.439	22%	0.221	S	C	.	.	H	α-helix	trans	-60.8	-43.2	177	-173	-169.4	170.7	0	0	110.9	A104 Q111 K112	A104-E108 VanDerWaalsContact O-CB 3.25Å; A104-E108 WeakPolarHBondContact O-CB 3.43Å; A104-E108 PolarHBondContact O-N 3.12Å; E108-Q111 PolarHBondContact O-N 3.46Å; E108-K112 HydrophobicContact CG-CD 4.48Å; E108-K112 WeakPolarHBondContact O-CG 3.14Å; E108-K112 PolarHBondContact O-N 3.24Å; E108-K112 WeakPolarHBondContact OE1-CE 3.48Å; E108-K112 IonicContact OE1-NZ 3.3Å; E108-K112 PolarHBondContact OE1-NZ 2.67Å
109	K	97.7	Very high	93.5	Very high	59 Å²	59	48.4 Å²	48.4	26%	0.257	25%	0.247	S	C	.	.	H	α-helix	trans	-61.7	-46.1	175.3	-178.6	64.3	174.8	-176.2	0	111.3	K105 V106 I107 Q111 K112 L113 L131 F134	K105-K109 WeakPolarHBondContact O-CB 3.23Å; K105-K109 PolarHBondContact O-N 3.11Å; V106-K109 PolarHBondContact O-N 2.9Å; I107-K109 VanDerWaalsContact C-N 3.32Å; I107-K109 PolarHBondContact O-N 3.36Å; K109-Q111 VanDerWaalsContact C-N 3.34Å; K109-Q111 PolarHBondContact O-N 2.81Å; K109-K112 PolarHBondContact O-N 2.86Å; K109-L113 HydrophobicContact CD-CD1 4.37Å; K109-L113 HydrophobicContact CD-CG 4.38Å; K109-L113 HydrophobicContact CG-CD1 4.07Å; K109-L113 HydrophobicContact CG-CG 4.49Å; K109-L113 VanDerWaalsContact O-CG 3.28Å; K109-L113 WeakPolarHBondContact O-CG 3.38Å; K109-L113 PolarHBondContact O-N 2.9Å; K109-L131 HydrophobicContact CB-CD1 4.31Å; K109-L131 HydrophobicContact CG-CD1 3.95Å; K109-F134 HydrophobicContact CB-CD1 4.04Å; K109-F134 HydrophobicContact CB-CE1 3.9Å; K109-F134 HydrophobicContact CB-CG 4.45Å; K109-F134 HydrophobicContact CB-CZ 4.21Å; K109-F134 HydrophobicContact CD-CB 4.41Å; K109-F134 HydrophobicContact CD-CD2 4.17Å; K109-F134 HydrophobicContact CD-CG 4.1Å; K109-F134 HydrophobicContact CG-CB 4.15Å; K109-F134 HydrophobicContact CG-CD1 3.64Å; K109-F134 HydrophobicContact CG-CD2 4.15Å; K109-F134 HydrophobicContact CG-CE1 4.03Å; K109-F134 HydrophobicContact CG-CE2 4.5Å; K109-F134 HydrophobicContact CG-CG 3.7Å; K109-F134 HydrophobicContact CG-CZ 4.44Å
110	F	97.2	Very high	92.8	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-59.4	-45	176.8	-179.7	-106	0	0	0	111.9	V106 I107 K112 L113 I114 V127 L131 I147 F166 M168 C173	V106-F110 PolarHBondContact O-N 2.82Å; I107-F110 PolarHBondContact O-N 3.03Å; F110-K112 PolarHBondContact O-N 2.94Å; F110-L113 PolarHBondContact O-N 3.33Å; F110-I114 HydrophobicContact CD1-CG1 4.24Å; F110-I114 HydrophobicContact CD2-CG1 4.46Å; F110-I114 HydrophobicContact CE1-CD1 4.41Å; F110-I114 HydrophobicContact CE1-CG1 3.89Å; F110-I114 HydrophobicContact CE2-CD1 4.21Å; F110-I114 HydrophobicContact CE2-CG1 4.13Å; F110-I114 HydrophobicContact CZ-CD1 3.92Å; F110-I114 HydrophobicContact CZ-CG1 3.83Å; F110-I114 WeakPolarHBondContact O-CG1 3.44Å; F110-I114 PolarHBondContact O-N 3.43Å; F110-V127 HydrophobicContact CD2-CG1 3.98Å; F110-V127 HydrophobicContact CE2-CG1 3.84Å; F110-L131 HydrophobicContact CB-CD2 4.4Å; F110-L131 HydrophobicContact CD2-CD2 3.93Å; F110-I147 HydrophobicContact CE2-CD1 3.72Å; F110-I147 HydrophobicContact CE2-CG1 3.93Å; F110-I147 HydrophobicContact CE2-CG2 4.25Å; F110-I147 HydrophobicContact CZ-CG2 4.19Å; F110-F166 HydrophobicContact CB-CE2 4.44Å; F110-F166 HydrophobicContact CB-CZ 3.82Å; F110-F166 AromaticContact CD1-CE2 3.5Å; F110-F166 HydrophobicContact CD1-CE2 3.5Å; F110-F166 VanDerWaalsContact CD1-CE2 3.5Å; F110-F166 AromaticContact CD1-CZ 3.58Å; F110-F166 HydrophobicContact CD1-CZ 3.58Å; F110-F166 HydrophobicContact CD2-CZ 4.39Å; F110-F166 AromaticContact CE1-CE2 3.93Å; F110-F166 HydrophobicContact CE1-CE2 3.93Å; F110-F166 HydrophobicContact CE1-CZ 4.19Å; F110-F166 HydrophobicContact CG-CE2 4.1Å; F110-F166 AromaticContact CG-CZ 3.68Å; F110-F166 HydrophobicContact CG-CZ 3.68Å; F110-M168 HydrophobicContact CD1-CB 4.46Å; F110-M168 HydrophobicContact CD1-CE 3.53Å; F110-M168 HydrophobicContact CD1-SD 3.82Å; F110-M168 HydrophobicContact CE1-CB 4.08Å; F110-M168 HydrophobicContact CE1-CE 3.43Å; F110-M168 VanDerWaalsContact CE1-CE 3.43Å; F110-M168 HydrophobicContact CE1-SD 4.09Å; F110-C173 HydrophobicContact CE1-CB 4.44Å; F110-C173 HydrophobicContact CE2-CB 4.1Å; F110-C173 HydrophobicContact CZ-CB 4.06Å
111	Q	95.3	Very high	92.1	Very high	55 Å²	55	50.7 Å²	50.7	26%	0.257	27%	0.268	S	S	.	.	H	α-helix	trans	-59.6	-46.1	177.1	-174.1	179.1	0.4	0	0	112	I107 E108 K109 L113 I114 Q115 M168	I107-Q111 WeakPolarHBondContact O-CB 3.34Å; I107-Q111 PolarHBondContact O-N 3.13Å; E108-Q111 PolarHBondContact O-N 3.46Å; K109-Q111 VanDerWaalsContact C-N 3.34Å; K109-Q111 PolarHBondContact O-N 2.81Å; Q111-L113 VanDerWaalsContact C-N 3.33Å; Q111-L113 PolarHBondContact O-N 3.01Å; Q111-I114 PolarHBondContact O-N 3.42Å; Q111-Q115 WeakPolarHBondContact O-CG 3.23Å; Q111-Q115 PolarHBondContact O-N 2.7Å; Q111-M168 HydrophobicContact CB-CE 4.45Å; Q111-M168 HydrophobicContact CB-SD 3.99Å; Q111-M168 HydrophobicContact CG-SD 4.25Å
112	K	96.1	Very high	91.6	Very high	108 Å²	108	57.3 Å²	57.3	47%	0.47	30%	0.296	S	S	.	.	H	α-helix	trans	-60	-41.7	175.7	-73.6	175.3	-177.2	168.7	0	112	E108 K109 F110 Q115 Q116	E108-K112 HydrophobicContact CG-CD 4.48Å; E108-K112 WeakPolarHBondContact O-CG 3.14Å; E108-K112 PolarHBondContact O-N 3.24Å; E108-K112 WeakPolarHBondContact OE1-CE 3.48Å; E108-K112 IonicContact OE1-NZ 3.3Å; E108-K112 PolarHBondContact OE1-NZ 2.67Å; K109-K112 PolarHBondContact O-N 2.86Å; F110-K112 PolarHBondContact O-N 2.94Å; K112-Q115 PolarHBondContact O-N 3.46Å; K112-Q116 WeakPolarHBondContact O-CB 3.45Å; K112-Q116 PolarHBondContact O-N 2.75Å
113	L	97	Very high	91.6	Very high	2 Å²	2	58.7 Å²	58.7	1%	0.01	30%	0.304	C	S	.	.	H	α-helix	trans	-67.5	-40.1	178.9	-68.5	170.8	0	0	0	112.3	K109 F110 Q111 Q116 Y117 V127 E130 L131	K109-L113 HydrophobicContact CD-CD1 4.37Å; K109-L113 HydrophobicContact CD-CG 4.38Å; K109-L113 HydrophobicContact CG-CD1 4.07Å; K109-L113 HydrophobicContact CG-CG 4.49Å; K109-L113 VanDerWaalsContact O-CG 3.28Å; K109-L113 WeakPolarHBondContact O-CG 3.38Å; K109-L113 PolarHBondContact O-N 2.9Å; F110-L113 PolarHBondContact O-N 3.33Å; Q111-L113 VanDerWaalsContact C-N 3.33Å; Q111-L113 PolarHBondContact O-N 3.01Å; L113-Q116 PolarHBondContact O-N 3.49Å; L113-Y117 HydrophobicContact CD2-CD2 4.42Å; L113-Y117 HydrophobicContact CD2-CE2 3.98Å; L113-Y117 WeakPolarHBondContact O-CD2 3.33Å; L113-Y117 PolarHBondContact O-N 2.94Å; L113-V127 HydrophobicContact CB-CG1 3.9Å; L113-V127 HydrophobicContact CB-CG2 4.39Å; L113-E130 HydrophobicContact CD1-CB 4.04Å; L113-E130 HydrophobicContact CD2-CB 3.62Å; L113-E130 HydrophobicContact CD2-CG 4.36Å; L113-E130 HydrophobicContact CG-CB 4.5Å; L113-L131 HydrophobicContact CD1-CB 3.78Å; L113-L131 HydrophobicContact CD1-CD1 4.47Å
114	I	94.7	Very high	91.4	Very high	13 Å²	13	58.7 Å²	58.7	7%	0.067	30%	0.304	C	S	.	.	H	α-helix	trans	-63.4	-41.8	174.5	-69.3	-71.2	0	0	0	111	F110 Q111 Q116 G118 A119 L124 V127 M168 Y171	F110-I114 HydrophobicContact CD1-CG1 4.24Å; F110-I114 HydrophobicContact CD2-CG1 4.46Å; F110-I114 HydrophobicContact CE1-CD1 4.41Å; F110-I114 HydrophobicContact CE1-CG1 3.89Å; F110-I114 HydrophobicContact CE2-CD1 4.21Å; F110-I114 HydrophobicContact CE2-CG1 4.13Å; F110-I114 HydrophobicContact CZ-CD1 3.92Å; F110-I114 HydrophobicContact CZ-CG1 3.83Å; F110-I114 WeakPolarHBondContact O-CG1 3.44Å; F110-I114 PolarHBondContact O-N 3.43Å; Q111-I114 PolarHBondContact O-N 3.42Å; I114-Q116 VanDerWaalsContact C-N 3.34Å; I114-G118 CarbonylContact O-C 3.51Å; I114-G118 WeakPolarHBondContact O-CA 3.27Å; I114-G118 PolarHBondContact O-N 2.91Å; I114-A119 HydrophobicContact CG2-CB 4.11Å; I114-L124 HydrophobicContact CD1-CD2 3.86Å; I114-V127 HydrophobicContact CD1-CG1 4.03Å; I114-V127 HydrophobicContact CD1-CG2 4.21Å; I114-V127 HydrophobicContact CG1-CG1 4.32Å; I114-M168 HydrophobicContact CB-CE 4.01Å; I114-M168 HydrophobicContact CG1-CE 3.8Å; I114-M168 HydrophobicContact CG2-CE 4.16Å; I114-Y171 HydrophobicContact CD1-CD2 4.16Å; I114-Y171 HydrophobicContact CD1-CE2 4.22Å
115	Q	93.2	Very high	91.4	Very high	138 Å²	138	61.8 Å²	61.8	65%	0.645	32%	0.317	S	S	*	.	H	α-helix	trans	-63.9	-39.1	175.4	-72.3	172.3	1.1	0	0	112.2	Q111 K112	Q111-Q115 WeakPolarHBondContact O-CG 3.23Å; Q111-Q115 PolarHBondContact O-N 2.7Å; K112-Q115 PolarHBondContact O-N 3.46Å
116	Q	94.7	Very high	91.5	Very high	129 Å²	129	62.1 Å²	62.1	60%	0.603	32%	0.318	S	S	*	.	H	α-helix	trans	-71.4	-44.6	-178.6	-179.3	179.6	-9.9	0	0	113.1	K112 L113 I114	K112-Q116 WeakPolarHBondContact O-CB 3.45Å; K112-Q116 PolarHBondContact O-N 2.75Å; L113-Q116 PolarHBondContact O-N 3.49Å; I114-Q116 VanDerWaalsContact C-N 3.34Å
117	Y	93.7	Very high	91.4	Very high	56 Å²	56	62.1 Å²	62.1	22%	0.22	32%	0.318	C	S	.	.	H	α-helix	trans	-97.8	-7.5	-173.2	-69.8	-63.5	0	0	0	114.3	L113 N123 K126 V127 E130	L113-Y117 HydrophobicContact CD2-CD2 4.42Å; L113-Y117 HydrophobicContact CD2-CE2 3.98Å; L113-Y117 WeakPolarHBondContact O-CD2 3.33Å; L113-Y117 PolarHBondContact O-N 2.94Å; Y117-N123 HydrophobicContact CG-CB 4.48Å; Y117-N123 PolarHBondContact O-ND2 3.1Å; Y117-K126 HydrophobicContact CD1-CB 4.13Å; Y117-K126 HydrophobicContact CD1-CD 3.9Å; Y117-K126 HydrophobicContact CD2-CB 4.27Å; Y117-K126 HydrophobicContact CE1-CB 4.11Å; Y117-K126 HydrophobicContact CE1-CD 3.85Å; Y117-K126 HydrophobicContact CE2-CB 4.24Å; Y117-K126 HydrophobicContact CG-CB 4.21Å; Y117-V127 HydrophobicContact CD2-CG2 3.94Å; Y117-V127 HydrophobicContact CG-CG2 4.33Å; Y117-E130 HydrophobicContact CE2-CG 4.07Å
118	G	81.9	Confident	91.4	Very high	28 Å²	28	63.3 Å²	63.3	29%	0.289	33%	0.327	S	S	.	.			trans	89.9	147.2	178.7	0	0	0	0	0	113.2	I114 D120	I114-G118 CarbonylContact O-C 3.51Å; I114-G118 WeakPolarHBondContact O-CA 3.27Å; I114-G118 PolarHBondContact O-N 2.91Å; G118-D120 VanDerWaalsContact C-N 3.34Å
119	A	76	Confident	91.5	Very high	68 Å²	68	62.2 Å²	62.2	56%	0.562	33%	0.329	S	S	*	.	S	Bend	trans	-91.9	15.9	-177.3	0	0	0	0	0	113.6	I114 G121 Y171	I114-A119 HydrophobicContact CG2-CB 4.11Å; A119-G121 VanDerWaalsContact C-N 3.29Å; A119-G121 PolarHBondContact O-N 3.38Å; A119-Y171 VanDerWaalsContact C-OH 3.28Å; A119-Y171 HydrophobicContact CB-CE2 4.39Å; A119-Y171 PolarHBondContact O-OH 2.93Å
120	D	78.6	Confident	91.5	Very high	95 Å²	95	62.5 Å²	62.5	51%	0.508	33%	0.332	S	S	.	.	S	Bend	trans	-86.2	3.9	-177.3	78.2	-15.7	0	0	0	113.9	G118 K122	G118-D120 VanDerWaalsContact C-N 3.34Å; D120-K122 PolarHBondContact O-N 2.96Å; D120-K122 WeakPolarHBondContact OD1-CB 3.12Å; D120-K122 PolarHBondContact OD1-N 2.89Å; D120-K122 VanDerWaalsContact OD1-N 3.1Å; D120-K122 VanDerWaalsContact OD2-CD 3.29Å; D120-K122 WeakPolarHBondContact OD2-CD 3.33Å; D120-K122 IonicContact OD2-NZ 3.27Å
121	G	75.6	Confident	91.5	Very high	32 Å²	32	62.5 Å²	62.5	33%	0.33	33%	0.332	S	S	.	.	S	Bend	trans	83.3	-15.8	177.7	0	0	0	0	0	114.9	A119 N123 Y171	A119-G121 VanDerWaalsContact C-N 3.29Å; A119-G121 PolarHBondContact O-N 3.38Å; G121-N123 VanDerWaalsContact C-N 3.32Å; G121-N123 PolarHBondContact O-N 3.13Å; G121-Y171 PolarHBondContact N-OH 3.41Å
122	K	83.1	Confident	91.7	Very high	162 Å²	162	63.4 Å²	63.4	70%	0.704	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.1	-22.4	-171.9	-65.5	-177.3	-171.1	157.8	0	114.3	D120	D120-K122 PolarHBondContact O-N 2.96Å; D120-K122 WeakPolarHBondContact OD1-CB 3.12Å; D120-K122 PolarHBondContact OD1-N 2.89Å; D120-K122 VanDerWaalsContact OD1-N 3.1Å; D120-K122 VanDerWaalsContact OD2-CD 3.29Å; D120-K122 WeakPolarHBondContact OD2-CD 3.33Å; D120-K122 IonicContact OD2-NZ 3.27Å
123	N	91.7	Very high	91.8	Very high	43 Å²	43	63 Å²	63	23%	0.23	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116.1	20.8	-177.4	-64.7	-62.6	0	0	0	112.7	Y117 G121 D125 K126 V127	Y117-N123 HydrophobicContact CG-CB 4.48Å; Y117-N123 PolarHBondContact O-ND2 3.1Å; G121-N123 VanDerWaalsContact C-N 3.32Å; G121-N123 PolarHBondContact O-N 3.13Å; N123-D125 VanDerWaalsContact CA-OD1 3.32Å; N123-D125 WeakPolarHBondContact CA-OD1 3.46Å; N123-D125 PolarHBondContact O-N 3.14Å; N123-K126 HydrophobicContact CB-CD 4.31Å; N123-K126 WeakPolarHBondContact O-CB 3.42Å; N123-K126 PolarHBondContact O-N 3.1Å; N123-K126 VanDerWaalsContact O-N 3.1Å; N123-K126 PolarHBondContact OD1-NZ 2.95Å; N123-V127 WeakPolarHBondContact O-CG2 2.85Å; N123-V127 PolarHBondContact O-N 3.45Å; N123-V127 VanDerWaalsContact O-N 3.08Å
124	L	92.7	Very high	91.9	Very high	28 Å²	28	64.9 Å²	64.9	15%	0.147	34%	0.341	C	S	.	.	H	α-helix	trans	-65.9	-23.6	179.6	-69.9	177.4	0	0	0	113.1	I114 V127 S128 I147 Y171	I114-L124 HydrophobicContact CD1-CD2 3.86Å; L124-V127 PolarHBondContact O-N 2.83Å; L124-S128 WeakPolarHBondContact O-CB 3.5Å; L124-S128 PolarHBondContact O-N 3.27Å; L124-S128 PolarHBondContact O-OG 3.42Å; L124-I147 HydrophobicContact CD1-CG2 4.4Å; L124-I147 HydrophobicContact CD2-CG2 4.08Å; L124-Y171 HydrophobicContact CD1-CD1 4.14Å; L124-Y171 HydrophobicContact CD1-CE1 3.63Å; L124-Y171 HydrophobicContact CD2-CD1 4.38Å; L124-Y171 HydrophobicContact CD2-CE1 4.05Å; L124-Y171 HydrophobicContact CG-CE1 4.4Å
125	D	94	Very high	92.1	Very high	96 Å²	96	64.2 Å²	64.2	51%	0.513	34%	0.338	S	S	.	.	H	α-helix	trans	-62.9	-40.5	169.8	64.5	-40	0	0	0	112.1	N123 S128 S129	N123-D125 VanDerWaalsContact CA-OD1 3.32Å; N123-D125 WeakPolarHBondContact CA-OD1 3.46Å; N123-D125 PolarHBondContact O-N 3.14Å; D125-S128 PolarHBondContact O-OG 3.1Å; D125-S129 VanDerWaalsContact O-CB 3.3Å; D125-S129 WeakPolarHBondContact O-CB 3.37Å; D125-S129 PolarHBondContact O-N 2.96Å; D125-S129 PolarHBondContact O-OG 3.23Å
126	K	96	Very high	92.3	Very high	94 Å²	94	59.2 Å²	59.2	41%	0.409	31%	0.314	S	S	.	.	H	α-helix	trans	-69.8	-42	173.6	-63.9	177.1	-173.8	155.7	0	111	Y117 N123 S129 E130	Y117-K126 HydrophobicContact CD1-CB 4.13Å; Y117-K126 HydrophobicContact CD1-CD 3.9Å; Y117-K126 HydrophobicContact CD2-CB 4.27Å; Y117-K126 HydrophobicContact CE1-CB 4.11Å; Y117-K126 HydrophobicContact CE1-CD 3.85Å; Y117-K126 HydrophobicContact CE2-CB 4.24Å; Y117-K126 HydrophobicContact CG-CB 4.21Å; N123-K126 HydrophobicContact CB-CD 4.31Å; N123-K126 WeakPolarHBondContact O-CB 3.42Å; N123-K126 PolarHBondContact O-N 3.1Å; N123-K126 VanDerWaalsContact O-N 3.1Å; N123-K126 PolarHBondContact OD1-NZ 2.95Å; K126-S129 PolarHBondContact O-N 3.04Å; K126-E130 WeakPolarHBondContact O-CB 3.44Å; K126-E130 WeakPolarHBondContact O-CG 3.25Å; K126-E130 PolarHBondContact O-N 2.85Å
127	V	96.9	Very high	92.4	Very high	0 Å²	0	59.7 Å²	59.7	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-60.5	-46.4	176.2	177.8	0	0	0	0	110.8	F110 L113 I114 Y117 N123 L124 L131 I147	F110-V127 HydrophobicContact CD2-CG1 3.98Å; F110-V127 HydrophobicContact CE2-CG1 3.84Å; L113-V127 HydrophobicContact CB-CG1 3.9Å; L113-V127 HydrophobicContact CB-CG2 4.39Å; I114-V127 HydrophobicContact CD1-CG1 4.03Å; I114-V127 HydrophobicContact CD1-CG2 4.21Å; I114-V127 HydrophobicContact CG1-CG1 4.32Å; Y117-V127 HydrophobicContact CD2-CG2 3.94Å; Y117-V127 HydrophobicContact CG-CG2 4.33Å; N123-V127 WeakPolarHBondContact O-CG2 2.85Å; N123-V127 PolarHBondContact O-N 3.45Å; N123-V127 VanDerWaalsContact O-N 3.08Å; L124-V127 PolarHBondContact O-N 2.83Å; V127-L131 VanDerWaalsContact O-CB 3.24Å; V127-L131 WeakPolarHBondContact O-CB 3.3Å; V127-L131 PolarHBondContact O-N 3.26Å; V127-I147 HydrophobicContact CB-CD1 3.97Å; V127-I147 HydrophobicContact CG1-CD1 3.58Å
128	S	97.1	Very high	92.5	Very high	29 Å²	29	60.3 Å²	60.3	20%	0.203	33%	0.327	C	S	.	.	H	α-helix	trans	-65.6	-42.4	179.5	63.9	0	0	0	0	111.8	L124 D125 L131 K132	L124-S128 WeakPolarHBondContact O-CB 3.5Å; L124-S128 PolarHBondContact O-N 3.27Å; L124-S128 PolarHBondContact O-OG 3.42Å; D125-S128 PolarHBondContact O-OG 3.1Å; S128-L131 PolarHBondContact O-N 2.88Å; S128-K132 VanDerWaalsContact O-CB 3.3Å; S128-K132 WeakPolarHBondContact O-CB 3.46Å; S128-K132 PolarHBondContact O-N 3.41Å
129	S	97.6	Very high	93.1	Very high	71 Å²	71	60.3 Å²	60.3	50%	0.497	32%	0.318	S	S	.	.	H	α-helix	trans	-66.2	-44.6	179.8	-59.1	0	0	0	0	112.3	D125 K126 K132 K133	D125-S129 VanDerWaalsContact O-CB 3.3Å; D125-S129 WeakPolarHBondContact O-CB 3.37Å; D125-S129 PolarHBondContact O-N 2.96Å; D125-S129 PolarHBondContact O-OG 3.23Å; K126-S129 PolarHBondContact O-N 3.04Å; S129-K132 PolarHBondContact O-N 3.31Å; S129-K133 WeakPolarHBondContact O-CB 3.21Å; S129-K133 PolarHBondContact O-N 3.43Å
130	E	98.2	Very high	93.9	Very high	66 Å²	66	60.4 Å²	60.4	31%	0.308	31%	0.309	S	S	.	.	H	α-helix	trans	-71.1	-34	177.9	-73.8	-64.2	134.1	0	0	112.5	L113 Y117 K126 F134	L113-E130 HydrophobicContact CD1-CB 4.04Å; L113-E130 HydrophobicContact CD2-CB 3.62Å; L113-E130 HydrophobicContact CD2-CG 4.36Å; L113-E130 HydrophobicContact CG-CB 4.5Å; Y117-E130 HydrophobicContact CE2-CG 4.07Å; K126-E130 WeakPolarHBondContact O-CB 3.44Å; K126-E130 WeakPolarHBondContact O-CG 3.25Å; K126-E130 PolarHBondContact O-N 2.85Å; E130-F134 WeakPolarHBondContact O-CB 3.47Å; E130-F134 PolarHBondContact O-N 2.83Å
131	L	98.5	Very high	94.6	Very high	0 Å²	0	59.7 Å²	59.7	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-67.2	-43	172.4	-178	60.8	0	0	0	110.8	V106 K109 F110 L113 V127 S128 F134 L135 V145 V175	V106-L131 HydrophobicContact CG1-CD1 4.42Å; K109-L131 HydrophobicContact CB-CD1 4.31Å; K109-L131 HydrophobicContact CG-CD1 3.95Å; F110-L131 HydrophobicContact CB-CD2 4.4Å; F110-L131 HydrophobicContact CD2-CD2 3.93Å; L113-L131 HydrophobicContact CD1-CB 3.78Å; L113-L131 HydrophobicContact CD1-CD1 4.47Å; V127-L131 VanDerWaalsContact O-CB 3.24Å; V127-L131 WeakPolarHBondContact O-CB 3.3Å; V127-L131 PolarHBondContact O-N 3.26Å; S128-L131 PolarHBondContact O-N 2.88Å; L131-F134 HydrophobicContact CD1-CD1 4.09Å; L131-F134 PolarHBondContact O-N 2.96Å; L131-L135 HydrophobicContact CD1-CD1 4.42Å; L131-L135 HydrophobicContact CD1-CG 4.41Å; L131-L135 HydrophobicContact CG-CD1 4.05Å; L131-L135 VanDerWaalsContact O-CG 3.28Å; L131-L135 WeakPolarHBondContact O-CG 3.33Å; L131-L135 PolarHBondContact O-N 2.98Å; L131-V145 HydrophobicContact CB-CG1 4.33Å; L131-V145 HydrophobicContact CD2-CG1 3.89Å; L131-V145 HydrophobicContact CG-CG1 4.33Å; L131-V145 HydrophobicContact CG-CG2 4.42Å; L131-V175 HydrophobicContact CD2-CG1 3.99Å
132	K	98.7	Very high	95.5	Very high	74 Å²	74	61.8 Å²	61.8	32%	0.322	31%	0.311	S	S	.	.	H	α-helix	trans	-58.1	-49	175	178.6	176.7	177.2	-71.2	0	110.8	S128 S129 F134 L135 E136 W143 V145	S128-K132 VanDerWaalsContact O-CB 3.3Å; S128-K132 WeakPolarHBondContact O-CB 3.46Å; S128-K132 PolarHBondContact O-N 3.41Å; S129-K132 PolarHBondContact O-N 3.31Å; K132-F134 PolarHBondContact O-N 2.74Å; K132-L135 PolarHBondContact O-N 3.32Å; K132-E136 WeakPolarHBondContact CE-OE1 3.24Å; K132-E136 HydrophobicContact CG-CG 4.4Å; K132-E136 IonicContact NZ-OE1 3.25Å; K132-E136 PolarHBondContact NZ-OE1 2.77Å; K132-E136 IonicContact NZ-OE2 2.83Å; K132-E136 PolarHBondContact NZ-OE2 3.41Å; K132-E136 WeakPolarHBondContact O-CB 3.45Å; K132-E136 WeakPolarHBondContact O-CG 3.43Å; K132-E136 PolarHBondContact O-N 2.88Å; K132-W143 WeakPolarHBondContact CD-O 3.28Å; K132-W143 WeakPolarHBondContact CE-O 3.33Å; K132-W143 HydrophobicContact CG-CB 4.44Å; K132-V145 HydrophobicContact CB-CB 4.37Å; K132-V145 HydrophobicContact CB-CG2 3.73Å; K132-V145 HydrophobicContact CG-CG2 4.46Å
133	K	98.5	Very high	96.2	Very high	99 Å²	99	54.1 Å²	54.1	43%	0.43	28%	0.278	S	S	.	.	H	α-helix	trans	-56.3	-48.4	176.8	-179.5	179	173.5	-176.2	0	112	S129 L135 E136 E137	S129-K133 WeakPolarHBondContact O-CB 3.21Å; S129-K133 PolarHBondContact O-N 3.43Å; K133-L135 VanDerWaalsContact C-N 3.35Å; K133-L135 PolarHBondContact O-N 3.38Å; K133-E136 PolarHBondContact O-N 3.28Å; K133-E137 WeakPolarHBondContact CE-OE1 3.36Å; K133-E137 HydrophobicContact CG-CG 4.37Å; K133-E137 WeakPolarHBondContact CG-OE1 3.42Å; K133-E137 IonicContact NZ-OE1 3.44Å; K133-E137 WeakPolarHBondContact O-CB 3.38Å; K133-E137 VanDerWaalsContact O-CG 3.31Å; K133-E137 WeakPolarHBondContact O-CG 3.29Å; K133-E137 PolarHBondContact O-N 2.8Å
134	F	98.6	Very high	96.5	Very high	41 Å²	41	55.9 Å²	55.9	18%	0.18	29%	0.285	C	S	.	.	H	α-helix	trans	-57.7	-45.8	175.8	162.4	-99.5	0	0	0	112.8	K109 E130 L131 K132 E136 E137 T138 Y139	K109-F134 HydrophobicContact CB-CD1 4.04Å; K109-F134 HydrophobicContact CB-CE1 3.9Å; K109-F134 HydrophobicContact CB-CG 4.45Å; K109-F134 HydrophobicContact CB-CZ 4.21Å; K109-F134 HydrophobicContact CD-CB 4.41Å; K109-F134 HydrophobicContact CD-CD2 4.17Å; K109-F134 HydrophobicContact CD-CG 4.1Å; K109-F134 HydrophobicContact CG-CB 4.15Å; K109-F134 HydrophobicContact CG-CD1 3.64Å; K109-F134 HydrophobicContact CG-CD2 4.15Å; K109-F134 HydrophobicContact CG-CE1 4.03Å; K109-F134 HydrophobicContact CG-CE2 4.5Å; K109-F134 HydrophobicContact CG-CG 3.7Å; K109-F134 HydrophobicContact CG-CZ 4.44Å; E130-F134 WeakPolarHBondContact O-CB 3.47Å; E130-F134 PolarHBondContact O-N 2.83Å; L131-F134 HydrophobicContact CD1-CD1 4.09Å; L131-F134 PolarHBondContact O-N 2.96Å; K132-F134 PolarHBondContact O-N 2.74Å; F134-E136 VanDerWaalsContact C-N 3.32Å; F134-E136 PolarHBondContact O-N 3.14Å; F134-E137 PolarHBondContact O-N 2.88Å; F134-T138 WeakPolarHBondContact CE2-OG1 3.22Å; F134-T138 VanDerWaalsContact O-CB 3.25Å; F134-T138 WeakPolarHBondContact O-CB 3.36Å; F134-T138 PolarHBondContact O-N 2.97Å; F134-T138 PolarHBondContact O-OG1 3.34Å; F134-Y139 HydrophobicContact CE1-CE2 4.41Å
135	L	98.4	Very high	96.8	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-63.5	-40.9	179.2	-70.9	165.8	0	0	0	111.4	V106 L131 K132 K133 T138 Y139 W143 V145 V175	V106-L135 HydrophobicContact CG1-CD2 4.29Å; V106-L135 HydrophobicContact CG2-CD2 3.72Å; L131-L135 HydrophobicContact CD1-CD1 4.42Å; L131-L135 HydrophobicContact CD1-CG 4.41Å; L131-L135 HydrophobicContact CG-CD1 4.05Å; L131-L135 VanDerWaalsContact O-CG 3.28Å; L131-L135 WeakPolarHBondContact O-CG 3.33Å; L131-L135 PolarHBondContact O-N 2.98Å; K132-L135 PolarHBondContact O-N 3.32Å; K133-L135 VanDerWaalsContact C-N 3.35Å; K133-L135 PolarHBondContact O-N 3.38Å; L135-T138 PolarHBondContact O-N 3.01Å; L135-Y139 HydrophobicContact CD2-CD2 3.96Å; L135-Y139 HydrophobicContact CD2-CE2 4.26Å; L135-Y139 CarbonylContact O-C 3.55Å; L135-Y139 WeakPolarHBondContact O-CA 3.5Å; L135-Y139 WeakPolarHBondContact O-CB 3.42Å; L135-Y139 PolarHBondContact O-N 3.47Å; L135-W143 HydrophobicContact CB-CB 4.1Å; L135-W143 HydrophobicContact CB-CD2 3.64Å; L135-W143 HydrophobicContact CB-CE3 4.22Å; L135-W143 HydrophobicContact CB-CG 3.56Å; L135-W143 HydrophobicContact CD1-CB 4.38Å; L135-W143 HydrophobicContact CD1-CD2 4.07Å; L135-W143 HydrophobicContact CD1-CE3 3.82Å; L135-W143 HydrophobicContact CD1-CG 4.32Å; L135-W143 HydrophobicContact CD2-CD2 4.36Å; L135-W143 HydrophobicContact CD2-CE3 4.22Å; L135-W143 HydrophobicContact CD2-CZ3 4.32Å; L135-W143 HydrophobicContact CG-CD2 4.25Å; L135-W143 HydrophobicContact CG-CE3 4.32Å; L135-W143 PolarHBondContact O-NE1 2.95Å; L135-V145 HydrophobicContact CD1-CG2 3.75Å; L135-V175 HydrophobicContact CD1-CB 3.91Å; L135-V175 HydrophobicContact CD1-CG1 3.93Å; L135-V175 HydrophobicContact CD1-CG2 4.3Å
136	E	97.4	Very high	96.9	Very high	32 Å²	32	54.2 Å²	54.2	15%	0.15	28%	0.276	C	S	.	.	H	α-helix	trans	-68.7	-38.7	179	-76.6	177	162.5	0	0	112.9	K132 K133 F134 D140 N141 W143	K132-E136 WeakPolarHBondContact CE-OE1 3.24Å; K132-E136 HydrophobicContact CG-CG 4.4Å; K132-E136 IonicContact NZ-OE1 3.25Å; K132-E136 PolarHBondContact NZ-OE1 2.77Å; K132-E136 IonicContact NZ-OE2 2.83Å; K132-E136 PolarHBondContact NZ-OE2 3.41Å; K132-E136 WeakPolarHBondContact O-CB 3.45Å; K132-E136 WeakPolarHBondContact O-CG 3.43Å; K132-E136 PolarHBondContact O-N 2.88Å; K133-E136 PolarHBondContact O-N 3.28Å; F134-E136 VanDerWaalsContact C-N 3.32Å; F134-E136 PolarHBondContact O-N 3.14Å; E136-D140 WeakPolarHBondContact O-CA 3.42Å; E136-D140 PolarHBondContact O-N 3.05Å; E136-N141 VanDerWaalsContact CB-OD1 3.31Å; E136-N141 WeakPolarHBondContact CB-OD1 3.28Å; E136-N141 WeakPolarHBondContact CG-OD1 3.41Å; E136-W143 HydrophobicContact CG-CB 4.14Å; E136-W143 HydrophobicContact CG-CG 4.3Å; E136-W143 PolarHBondContact OE1-N 3.43Å
137	E	97.2	Very high	96.9	Very high	140 Å²	140	51 Å²	51	65%	0.654	26%	0.263	S	S	*	.	H	α-helix	trans	-71.5	-30.7	175.8	-72.3	172.8	168.8	0	0	112.5	K133 F134	K133-E137 WeakPolarHBondContact CE-OE1 3.36Å; K133-E137 HydrophobicContact CG-CG 4.37Å; K133-E137 WeakPolarHBondContact CG-OE1 3.42Å; K133-E137 IonicContact NZ-OE1 3.44Å; K133-E137 WeakPolarHBondContact O-CB 3.38Å; K133-E137 VanDerWaalsContact O-CG 3.31Å; K133-E137 WeakPolarHBondContact O-CG 3.29Å; K133-E137 PolarHBondContact O-N 2.8Å; F134-E137 PolarHBondContact O-N 2.88Å
138	T	95.7	Very high	96.7	Very high	69 Å²	69	53.5 Å²	53.5	42%	0.423	28%	0.276	S	S	.	.	H	α-helix	trans	-95.5	-35.4	-173.9	-48.9	0	0	0	0	112.8	F134 L135	F134-T138 WeakPolarHBondContact CE2-OG1 3.22Å; F134-T138 VanDerWaalsContact O-CB 3.25Å; F134-T138 WeakPolarHBondContact O-CB 3.36Å; F134-T138 PolarHBondContact O-N 2.97Å; F134-T138 PolarHBondContact O-OG1 3.34Å; L135-T138 PolarHBondContact O-N 3.01Å
139	Y	94.1	Very high	96.4	Very high	28 Å²	28	57.1 Å²	57.1	11%	0.11	30%	0.296	C	S	.	.	H	α-helix	trans	-134.7	31.1	-167.2	-52	-64.3	0	0	0	112.1	K102 K105 V106 F134 L135 W143 R177	K102-Y139 HydrophobicContact CD-CE1 4.22Å; K102-Y139 HydrophobicContact CG-CE1 4.08Å; K102-Y139 HydrophobicContact CG-CE2 4.33Å; K105-Y139 WeakPolarHBondContact CD-OH 3.47Å; V106-Y139 HydrophobicContact CG2-CE2 4.33Å; F134-Y139 HydrophobicContact CE1-CE2 4.41Å; L135-Y139 HydrophobicContact CD2-CD2 3.96Å; L135-Y139 HydrophobicContact CD2-CE2 4.26Å; L135-Y139 CarbonylContact O-C 3.55Å; L135-Y139 WeakPolarHBondContact O-CA 3.5Å; L135-Y139 WeakPolarHBondContact O-CB 3.42Å; L135-Y139 PolarHBondContact O-N 3.47Å; Y139-W143 HydrophobicContact CD2-CZ2 4.43Å; Y139-W143 HydrophobicContact CG-CZ2 4.35Å; Y139-W143 PolarHBondContact O-NE1 3.23Å; Y139-R177 WeakPolarHBondContact O-CD 3.4Å; Y139-R177 PolarHBondContact O-NH1 3Å
140	D	92.9	Very high	96	Very high	70 Å²	70	55.8 Å²	55.8	37%	0.374	29%	0.294	S	S	.	.			trans	60.3	176	176.5	-160.4	9.3	0	0	0	114.5	K65 E136 W143	K65-D140 IonicContact NZ-OD2 2.63Å; K65-D140 PolarHBondContact NZ-OD2 3.1Å; E136-D140 WeakPolarHBondContact O-CA 3.42Å; E136-D140 PolarHBondContact O-N 3.05Å; D140-W143 PolarHBondContact O-NE1 3.45Å
141	N	93.2	Very high	95.5	Very high	79 Å²	79	57.4 Å²	57.4	42%	0.422	31%	0.313	S	S	.	.	S	Bend	trans	-103.4	158.4	-169.6	-58.4	-89.6	0	0	0	111.7	E136	E136-N141 VanDerWaalsContact CB-OD1 3.31Å; E136-N141 WeakPolarHBondContact CB-OD1 3.28Å; E136-N141 WeakPolarHBondContact CG-OD1 3.41Å
142	V	95.1	Very high	95.2	Very high	76 Å²	76	59.4 Å²	59.4	46%	0.461	32%	0.321	S	S	.	.			cis	-108.1	136.8	-4.3	177.7	0	0	0	0	108.9	R177 T178	V142-R177 WeakPolarHBondContact O-CA 3.43Å; V142-T178 PolarHBondContact O-N 3.4Å
143	W	97.8	Very high	95	Very high	1 Å²	1	67 Å²	67	0%	0.004	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	140	178.4	-73.3	82.1	0	0	0	112.7	M98 K132 L135 E136 Y139 D140 C162 V175 R177	M98-W143 HydrophobicContact CE-CH2 3.11Å; M98-W143 HydrophobicContact CE-CZ2 4.2Å; M98-W143 HydrophobicContact CE-CZ3 3.47Å; M98-W143 VanDerWaalsContact CE-CZ3 3.47Å; K132-W143 WeakPolarHBondContact CD-O 3.28Å; K132-W143 WeakPolarHBondContact CE-O 3.33Å; K132-W143 HydrophobicContact CG-CB 4.44Å; L135-W143 HydrophobicContact CB-CB 4.1Å; L135-W143 HydrophobicContact CB-CD2 3.64Å; L135-W143 HydrophobicContact CB-CE3 4.22Å; L135-W143 HydrophobicContact CB-CG 3.56Å; L135-W143 HydrophobicContact CD1-CB 4.38Å; L135-W143 HydrophobicContact CD1-CD2 4.07Å; L135-W143 HydrophobicContact CD1-CE3 3.82Å; L135-W143 HydrophobicContact CD1-CG 4.32Å; L135-W143 HydrophobicContact CD2-CD2 4.36Å; L135-W143 HydrophobicContact CD2-CE3 4.22Å; L135-W143 HydrophobicContact CD2-CZ3 4.32Å; L135-W143 HydrophobicContact CG-CD2 4.25Å; L135-W143 HydrophobicContact CG-CE3 4.32Å; L135-W143 PolarHBondContact O-NE1 2.95Å; E136-W143 HydrophobicContact CG-CB 4.14Å; E136-W143 HydrophobicContact CG-CG 4.3Å; E136-W143 PolarHBondContact OE1-N 3.43Å; Y139-W143 HydrophobicContact CD2-CZ2 4.43Å; Y139-W143 HydrophobicContact CG-CZ2 4.35Å; Y139-W143 PolarHBondContact O-NE1 3.23Å; D140-W143 PolarHBondContact O-NE1 3.45Å; W143-C162 HydrophobicContact CH2-CB 3.65Å; W143-C162 HydrophobicContact CZ2-CB 4.13Å; W143-C162 HydrophobicContact CZ3-CB 4.46Å; W143-V175 HydrophobicContact CE3-CB 4.36Å; W143-V175 HydrophobicContact CZ3-CG2 4.34Å; W143-R177 HydrophobicContact CD2-CB 3.87Å; W143-R177 HydrophobicContact CD2-CG 4.35Å; W143-R177 HydrophobicContact CE3-CB 4.12Å; W143-R177 HydrophobicContact CG-CB 4.45Å; W143-R177 HydrophobicContact CH2-CB 3.91Å; W143-R177 HydrophobicContact CZ2-CB 3.71Å; W143-R177 HydrophobicContact CZ2-CG 4.28Å; W143-R177 HydrophobicContact CZ3-CB 4.15Å
144	H	97.7	Very high	94.7	Very high	80 Å²	80	65 Å²	65	37%	0.37	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	135.1	164.7	-62.8	-83.1	0	0	0	109.1	V175 W176 T178	H144-V175 VanDerWaalsContact O-CA 3.23Å; H144-V175 WeakPolarHBondContact O-CA 3.37Å; H144-W176 HydrophobicContact CB-CD2 3.9Å; H144-W176 HydrophobicContact CB-CE3 4.27Å; H144-W176 HydrophobicContact CB-CG 4.48Å; H144-W176 HydrophobicContact CB-CH2 4.05Å; H144-W176 HydrophobicContact CB-CZ2 3.63Å; H144-W176 HydrophobicContact CB-CZ3 4.33Å; H144-W176 AromaticContact CD2-CE2 3.95Å; H144-W176 AromaticContact CD2-NE1 3.43Å; H144-W176 PolarHBondContact CD2-NE1 3.3Å; H144-W176 AromaticContact CG-CE2 3.85Å; H144-W176 AromaticContact CG-CZ2 3.93Å; H144-W176 AromaticContact CG-NE1 3.81Å; H144-W176 PolarHBondContact N-O 3.1Å; H144-W176 PolarHBondContact O-N 3.44Å; H144-W176 VanDerWaalsContact O-N 3.13Å; H144-T178 PolarHBondContact CD2-OG1 3.47Å; H144-T178 PolarHBondContact NE2-OG1 3.23Å
145	V	98.3	Very high	94.5	Very high	24 Å²	24	69.2 Å²	69.2	15%	0.145	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	119.8	176	178.6	0	0	0	0	108.4	L131 K132 L135 I147 V175	L131-V145 HydrophobicContact CB-CG1 4.33Å; L131-V145 HydrophobicContact CD2-CG1 3.89Å; L131-V145 HydrophobicContact CG-CG1 4.33Å; L131-V145 HydrophobicContact CG-CG2 4.42Å; K132-V145 HydrophobicContact CB-CB 4.37Å; K132-V145 HydrophobicContact CB-CG2 3.73Å; K132-V145 HydrophobicContact CG-CG2 4.46Å; L135-V145 HydrophobicContact CD1-CG2 3.75Å; V145-I147 HydrophobicContact CG1-CG1 4.29Å; V145-V175 HydrophobicContact CB-CG1 4.28Å; V145-V175 HydrophobicContact CG1-CG1 4.05Å; V145-V175 HydrophobicContact CG2-CB 4.49Å; V145-V175 HydrophobicContact CG2-CG1 3.87Å
146	I	96.9	Very high	94.2	Very high	65 Å²	65	71.4 Å²	71.4	33%	0.333	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	125.4	176	-57.1	-174.8	0	0	0	108.4	M148 M154 C173 S174 W176	I146-M148 HydrophobicContact CG2-CE 3.36Å; I146-M154 HydrophobicContact CD1-CE 4.48Å; I146-C173 CarbonylContact O-C 3.49Å; I146-C173 WeakPolarHBondContact O-CA 3.38Å; I146-S174 PolarHBondContact N-O 2.97Å; I146-S174 PolarHBondContact O-N 3.21Å; I146-W176 HydrophobicContact CD1-CH2 3.53Å; I146-W176 HydrophobicContact CD1-CZ3 3.96Å; I146-W176 HydrophobicContact CG1-CH2 4.11Å; I146-W176 HydrophobicContact CG1-CZ3 4.2Å
147	I	95.7	Very high	94	Very high	27 Å²	27	74.2 Å²	74.2	14%	0.138	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	130.1	173.4	-51.6	164	0	0	0	107.5	F110 L124 V127 V145 Y171 S172	F110-I147 HydrophobicContact CE2-CD1 3.72Å; F110-I147 HydrophobicContact CE2-CG1 3.93Å; F110-I147 HydrophobicContact CE2-CG2 4.25Å; F110-I147 HydrophobicContact CZ-CG2 4.19Å; L124-I147 HydrophobicContact CD1-CG2 4.4Å; L124-I147 HydrophobicContact CD2-CG2 4.08Å; V127-I147 HydrophobicContact CB-CD1 3.97Å; V127-I147 HydrophobicContact CG1-CD1 3.58Å; V145-I147 HydrophobicContact CG1-CG1 4.29Å; I147-Y171 HydrophobicContact CG2-CD1 4.26Å; I147-Y171 HydrophobicContact CG2-CG 4.46Å; I147-S172 WeakPolarHBondContact CA-O 3.32Å
148	M	93	Very high	93.8	Very high	53 Å²	53	69.6 Å²	69.6	26%	0.261	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	161.3	179.6	66.4	-178.9	77.8	0	0	112.1	I146 F152 Y171 S172	I146-M148 HydrophobicContact CG2-CE 3.36Å; M148-F152 HydrophobicContact CE-CB 3.92Å; M148-F152 HydrophobicContact CE-CD1 4.22Å; M148-F152 HydrophobicContact CE-CG 4.01Å; M148-F152 HydrophobicContact CG-CD1 4.41Å; M148-F152 HydrophobicContact SD-CB 3.52Å; M148-F152 VanDerWaalsContact SD-CB 3.52Å; M148-F152 HydrophobicContact SD-CD1 3.68Å; M148-F152 HydrophobicContact SD-CG 3.81Å; M148-Y171 WeakPolarHBondContact O-CA 3.47Å; M148-S172 PolarHBondContact N-O 3.25Å; M148-S172 PolarHBondContact O-N 3.33Å
149	T	91.4	Very high	93.7	Very high	104 Å²	104	67.1 Å²	67.1	64%	0.638	37%	0.369	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.8	123.8	167.4	53.4	0	0	0	0	109.6	Y171	T149-Y171 HydrophobicContact CG2-CD1 3.93Å; T149-Y171 HydrophobicContact CG2-CE1 3.75Å
150	G	88.7	Confident	93.7	Very high	43 Å²	43	66.9 Å²	66.9	44%	0.443	37%	0.371	S	S	.	.	S	Bend	trans	107	-162.5	178	0	0	0	0	0	114.1	S172	G150-S172 PolarHBondContact O-OG 3.3Å
151	S	88.1	Confident	93.8	Very high	101 Å²	101	63.6 Å²	63.6	71%	0.706	35%	0.353	S	S	*	.			trans	-98.8	154.1	-174.8	-61.7	0	0	0	0	112.1
152	F	91.7	Very high	93.9	Very high	41 Å²	41	60 Å²	60	18%	0.18	34%	0.335	C	S	.	.			trans	-146.9	160.8	179.5	61.9	-80.8	0	0	0	111.1	I94 M148 M154 Q165 S174	I94-F152 HydrophobicContact CD1-CE1 3.91Å; I94-F152 HydrophobicContact CD1-CZ 3.97Å; M148-F152 HydrophobicContact CE-CB 3.92Å; M148-F152 HydrophobicContact CE-CD1 4.22Å; M148-F152 HydrophobicContact CE-CG 4.01Å; M148-F152 HydrophobicContact CG-CD1 4.41Å; M148-F152 HydrophobicContact SD-CB 3.52Å; M148-F152 VanDerWaalsContact SD-CB 3.52Å; M148-F152 HydrophobicContact SD-CD1 3.68Å; M148-F152 HydrophobicContact SD-CG 3.81Å; F152-M154 HydrophobicContact CD2-CE 3.61Å; F152-M154 HydrophobicContact CD2-CG 3.98Å; F152-M154 HydrophobicContact CD2-SD 4.24Å; F152-M154 HydrophobicContact CE2-CE 3.6Å; F152-M154 HydrophobicContact CE2-CG 3.92Å; F152-M154 HydrophobicContact CE2-SD 3.84Å; F152-Q165 HydrophobicContact CZ-CB 4.43Å; F152-Q165 HydrophobicContact CZ-CG 4.41Å; F152-S174 VanDerWaalsContact CE2-OG 3.27Å; F152-S174 WeakPolarHBondContact CE2-OG 3.35Å; F152-S174 WeakPolarHBondContact CZ-OG 3.29Å
153	W	93.5	Very high	94.1	Very high	234 Å²	234	56.4 Å²	56.4	89%	0.886	31%	0.313	S	S	*	.			trans	-129.7	133.2	170.8	-69	-101.5	0	0	0	107.5
154	M	93.1	Very high	94.1	Very high	58 Å²	58	56.3 Å²	56.3	29%	0.286	31%	0.312	S	S	.	.			trans	-142.9	146.5	-179.2	56.8	172.7	52.6	0	0	111.3	I146 F152 Y156 Q165 W176	I146-M154 HydrophobicContact CD1-CE 4.48Å; F152-M154 HydrophobicContact CD2-CE 3.61Å; F152-M154 HydrophobicContact CD2-CG 3.98Å; F152-M154 HydrophobicContact CD2-SD 4.24Å; F152-M154 HydrophobicContact CE2-CE 3.6Å; F152-M154 HydrophobicContact CE2-CG 3.92Å; F152-M154 HydrophobicContact CE2-SD 3.84Å; M154-Y156 HydrophobicContact CB-CD1 4.38Å; M154-Y156 HydrophobicContact CG-CD1 3.83Å; M154-Y156 HydrophobicContact CG-CE1 3.98Å; M154-Y156 HydrophobicContact SD-CD1 3.68Å; M154-Y156 HydrophobicContact SD-CE1 3.72Å; M154-Q165 HydrophobicContact SD-CG 4.4Å; M154-W176 HydrophobicContact CE-CH2 4.33Å; M154-W176 HydrophobicContact CE-CZ3 3.96Å; M154-W176 HydrophobicContact SD-CZ3 4.13Å
155	S	94.1	Very high	94.1	Very high	128 Å²	128	52.7 Å²	52.7	90%	0.895	30%	0.296	S	S	*	.			trans	-118.9	131.1	164.4	-66.4	0	0	0	0	107.4
156	Y	93	Very high	94	Very high	46 Å²	46	51.6 Å²	51.6	18%	0.18	29%	0.289	C	S	.	.			trans	-152.6	157.1	-175.4	61.9	-86.3	0	0	0	110.4	M154 H158 Q165 W176	M154-Y156 HydrophobicContact CB-CD1 4.38Å; M154-Y156 HydrophobicContact CG-CD1 3.83Å; M154-Y156 HydrophobicContact CG-CE1 3.98Å; M154-Y156 HydrophobicContact SD-CD1 3.68Å; M154-Y156 HydrophobicContact SD-CE1 3.72Å; Y156-H158 HydrophobicContact CD2-CB 4.24Å; Y156-H158 AromaticContact CD2-ND1 3.61Å; Y156-H158 HydrophobicContact CE2-CB 4.26Å; Y156-H158 AromaticContact CE2-CE1 3.78Å; Y156-H158 AromaticContact CE2-CG 3.88Å; Y156-H158 AromaticContact CE2-ND1 3.27Å; Y156-H158 VanDerWaalsContact CE2-ND1 3.27Å; Y156-H158 WeakPolarHBondContact CE2-ND1 3.28Å; Y156-Q165 PolarHBondContact OH-NE2 3.1Å; Y156-Q165 PolarHBondContact OH-OE1 3.29Å; Y156-W176 HydrophobicContact CD2-CB 4.18Å; Y156-W176 HydrophobicContact CD2-CD2 4.27Å; Y156-W176 AromaticContact CD2-CG 3.93Å; Y156-W176 HydrophobicContact CD2-CG 3.93Å; Y156-W176 HydrophobicContact CE2-CB 4.17Å; Y156-W176 HydrophobicContact CE2-CG 4.38Å; Y156-W176 HydrophobicContact CG-CD2 4.47Å
157	S	92.7	Very high	94	Very high	92 Å²	92	53.3 Å²	53.3	64%	0.643	29%	0.294	S	S	*	.			trans	-105	151.9	165.5	-58.6	0	0	0	0	109
158	H	94	Very high	93.9	Very high	43 Å²	43	52.1 Å²	52.1	20%	0.199	29%	0.288	C	S	.	.			trans	-148.6	157.1	-179.1	53.2	-74.2	0	0	0	110.1	E2 Y156 S163 W176 R177	E2-H158 IonicContact OE1-CD2 2.78Å; E2-H158 IonicContact OE1-NE2 3.58Å; E2-H158 PolarHBondContact OE1-NE2 3.46Å; Y156-H158 HydrophobicContact CD2-CB 4.24Å; Y156-H158 AromaticContact CD2-ND1 3.61Å; Y156-H158 HydrophobicContact CE2-CB 4.26Å; Y156-H158 AromaticContact CE2-CE1 3.78Å; Y156-H158 AromaticContact CE2-CG 3.88Å; Y156-H158 AromaticContact CE2-ND1 3.27Å; Y156-H158 VanDerWaalsContact CE2-ND1 3.27Å; Y156-H158 WeakPolarHBondContact CE2-ND1 3.28Å; H158-S163 VanDerWaalsContact CD2-CB 3.47Å; H158-S163 WeakPolarHBondContact CD2-CB 3.45Å; H158-S163 PolarHBondContact CD2-OG 3.34Å; H158-S163 VanDerWaalsContact CD2-OG 3.28Å; H158-S163 PolarHBondContact NE2-OG 2.92Å; H158-W176 HydrophobicContact CB-CB 4.07Å; H158-R177 CarbonylContact C-O 3.55Å; H158-R177 WeakPolarHBondContact CA-O 3.46Å; H158-R177 WeakPolarHBondContact CB-O 3.09Å
159	E	92.7	Very high	93.8	Very high	16 Å²	16	53.7 Å²	53.7	8%	0.075	30%	0.297	C	S	.	.			trans	-61.5	149.4	164.7	-76.4	-153.8	-179.4	0	0	110.9	K65 F161 C162 R177 P179 S180	K65-E159 IonicContact NZ-OE2 3.89Å; E159-F161 PolarHBondContact O-N 3.08Å; E159-C162 HydrophobicContact CB-CB 4.15Å; E159-C162 WeakPolarHBondContact O-CB 3.46Å; E159-C162 PolarHBondContact O-N 3.08Å; E159-C162 VanDerWaalsContact O-N 3.14Å; E159-R177 PolarHBondContact N-O 2.96Å; E159-R177 IonicContact OE2-CZ 3.58Å; E159-R177 IonicContact OE2-NE 3.68Å; E159-R177 PolarHBondContact OE2-NE 3.36Å; E159-R177 IonicContact OE2-NH1 3.73Å; E159-R177 IonicContact OE2-NH2 2.65Å; E159-R177 PolarHBondContact OE2-NH2 3.23Å; E159-P179 VanDerWaalsContact CG-CA 3.49Å; E159-P179 HydrophobicContact CG-CB 4.42Å; E159-S180 VanDerWaalsContact OE1-CB 3.27Å; E159-S180 WeakPolarHBondContact OE1-CB 3.12Å; E159-S180 PolarHBondContact OE1-N 3.1Å; E159-S180 PolarHBondContact OE1-OG 3.47Å
160	P	93.5	Very high	93.8	Very high	23 Å²	23	54.7 Å²	54.7	15%	0.149	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-50.4	132.5	179.2	-26.6	34.8	0	0	0	112.1	M1 E2 I5 C162	M1-P160 HydrophobicContact CB-CG 4Å; M1-P160 HydrophobicContact CG-CG 3.62Å; E2-P160 HydrophobicContact CG-CB 3.9Å; I5-P160 HydrophobicContact CD1-CB 3.55Å; I5-P160 HydrophobicContact CD1-CG 3.94Å; P160-C162 PolarHBondContact O-N 2.95Å; P160-C162 VanDerWaalsContact O-N 3.11Å; P160-C162 PolarHBondContact O-SG 2.86Å
161	F	95.4	Very high	94	Very high	1 Å²	1	53.4 Å²	53.4	0%	0.004	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	60	22.6	174.9	-43.2	-52.4	0	0	0	114.4	E2 I5 E6 F9 M69 E72 A97 M98 E159	E2-F161 HydrophobicContact CB-CD1 4.26Å; E2-F161 HydrophobicContact CB-CE1 3.7Å; E2-F161 HydrophobicContact CB-CZ 4.29Å; E2-F161 HydrophobicContact CG-CD1 3.79Å; E2-F161 HydrophobicContact CG-CE1 3.73Å; E2-F161 HydrophobicContact CG-CZ 4.42Å; E2-F161 PolarHBondContact OE1-N 2.84Å; I5-F161 HydrophobicContact CB-CE2 3.86Å; I5-F161 HydrophobicContact CB-CZ 3.78Å; I5-F161 HydrophobicContact CD1-CD2 4.42Å; I5-F161 HydrophobicContact CD1-CE2 3.71Å; I5-F161 HydrophobicContact CD1-CZ 4.08Å; I5-F161 HydrophobicContact CG1-CE2 4.39Å; I5-F161 HydrophobicContact CG2-CE2 3.55Å; I5-F161 HydrophobicContact CG2-CZ 3.85Å; E6-F161 HydrophobicContact CG-CE1 3.93Å; E6-F161 HydrophobicContact CG-CZ 3.9Å; F9-F161 HydrophobicContact CE2-CE2 4.44Å; M69-F161 HydrophobicContact CE-CD2 3.96Å; M69-F161 HydrophobicContact SD-CD2 3.79Å; M69-F161 HydrophobicContact SD-CE2 3.78Å; E72-F161 HydrophobicContact CB-CD2 4.33Å; E72-F161 HydrophobicContact CG-CB 4.21Å; E72-F161 HydrophobicContact CG-CD2 3.54Å; E72-F161 HydrophobicContact CG-CE2 3.95Å; E72-F161 HydrophobicContact CG-CG 3.97Å; A97-F161 WeakPolarHBondContact O-CA 3.42Å; A97-F161 WeakPolarHBondContact O-CD1 3.39Å; M98-F161 WeakPolarHBondContact CG-O 3.46Å; E159-F161 PolarHBondContact O-N 3.08Å
162	C	96.2	Very high	94.3	Very high	4 Å²	4	49 Å²	49	3%	0.027	25%	0.25	C	C	.	.			trans	-121.8	46.3	-177.1	-65.8	0	0	0	0	111.5	W143 E159 P160 W176 R177	W143-C162 HydrophobicContact CH2-CB 3.65Å; W143-C162 HydrophobicContact CZ2-CB 4.13Å; W143-C162 HydrophobicContact CZ3-CB 4.46Å; E159-C162 HydrophobicContact CB-CB 4.15Å; E159-C162 WeakPolarHBondContact O-CB 3.46Å; E159-C162 PolarHBondContact O-N 3.08Å; E159-C162 VanDerWaalsContact O-N 3.14Å; P160-C162 PolarHBondContact O-N 2.95Å; P160-C162 VanDerWaalsContact O-N 3.11Å; P160-C162 PolarHBondContact O-SG 2.86Å; C162-W176 CarbonylContact O-C 3.57Å; C162-W176 VanDerWaalsContact O-CA 3.23Å; C162-W176 WeakPolarHBondContact O-CA 3.36Å; C162-R177 HydrophobicContact CB-CB 3.65Å; C162-R177 PolarHBondContact O-N 2.86Å; C162-R177 VanDerWaalsContact SG-CZ 3.52Å; C162-R177 PolarHBondContact SG-NH2 2.94Å
163	S	97.6	Very high	94.6	Very high	0 Å²	0	47 Å²	47	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	140.7	172.1	70.6	0	0	0	0	112.5	S96 A97 M98 H158 V175	S96-S163 PolarHBondContact OG-O 3.36Å; A97-S163 WeakPolarHBondContact CB-OG 3.41Å; A97-S163 PolarHBondContact N-O 2.9Å; M98-S163 WeakPolarHBondContact CG-O 3.36Å; M98-S163 PolarHBondContact N-O 3.43Å; H158-S163 VanDerWaalsContact CD2-CB 3.47Å; H158-S163 WeakPolarHBondContact CD2-CB 3.45Å; H158-S163 PolarHBondContact CD2-OG 3.34Å; H158-S163 VanDerWaalsContact CD2-OG 3.28Å; H158-S163 PolarHBondContact NE2-OG 2.92Å; S163-V175 WeakPolarHBondContact CA-O 3.47Å
164	L	98.1	Very high	94.8	Very high	0 Å²	0	36 Å²	36	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	129.3	177.1	175.6	61.2	0	0	0	110.6	I93 M98 Q103 V106 I107 F166 V175	I93-L164 HydrophobicContact CD1-CD1 4.11Å; I93-L164 HydrophobicContact CG2-CD1 4.37Å; M98-L164 HydrophobicContact SD-CB 3.73Å; M98-L164 HydrophobicContact SD-CD2 4.33Å; Q103-L164 HydrophobicContact CB-CD1 4.46Å; Q103-L164 HydrophobicContact CB-CD2 4.3Å; Q103-L164 HydrophobicContact CG-CD1 3.88Å; Q103-L164 HydrophobicContact CG-CD2 4.34Å; V106-L164 HydrophobicContact CB-CD2 3.88Å; V106-L164 HydrophobicContact CG1-CD2 3.82Å; I107-L164 HydrophobicContact CG1-CD2 4.35Å; L164-F166 HydrophobicContact CD2-CD1 4.03Å; L164-F166 HydrophobicContact CD2-CE1 4.26Å; L164-F166 HydrophobicContact CG-CD1 3.9Å; L164-F166 HydrophobicContact CG-CE1 4.49Å; L164-V175 HydrophobicContact CB-CG2 3.83Å; L164-V175 PolarHBondContact N-O 3.17Å; L164-V175 PolarHBondContact O-N 3.36Å
165	Q	97.9	Very high	95.1	Very high	4 Å²	4	33.2 Å²	33.2	2%	0.019	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	125.4	170.8	-65	82.9	60	0	0	109	I94 K95 F152 M154 Y156 C173 S174	I94-Q165 HydrophobicContact CB-CB 4.03Å; I94-Q165 WeakPolarHBondContact CB-O 3.39Å; I94-Q165 HydrophobicContact CG2-CB 4.48Å; I94-Q165 PolarHBondContact N-O 3.14Å; K95-Q165 HydrophobicContact CB-CB 4.49Å; K95-Q165 PolarHBondContact N-O 3.17Å; K95-Q165 VanDerWaalsContact N-O 3.14Å; K95-Q165 PolarHBondContact O-N 2.88Å; K95-Q165 VanDerWaalsContact O-O 3.09Å; F152-Q165 HydrophobicContact CZ-CB 4.43Å; F152-Q165 HydrophobicContact CZ-CG 4.41Å; M154-Q165 HydrophobicContact SD-CG 4.4Å; Y156-Q165 PolarHBondContact OH-NE2 3.1Å; Y156-Q165 PolarHBondContact OH-OE1 3.29Å; Q165-C173 WeakPolarHBondContact CA-O 3.39Å; Q165-S174 WeakPolarHBondContact CG-OG 3.44Å
166	F	96.9	Very high	95.2	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	159.9	-179.6	67.4	-80.9	0	0	0	110.9	V91 S92 I93 I107 F110 L164 M168 C173	V91-F166 HydrophobicContact CG1-CB 4.35Å; V91-F166 HydrophobicContact CG1-CD2 4.02Å; S92-F166 CarbonylContact O-C 3.43Å; S92-F166 VanDerWaalsContact O-CA 3.22Å; S92-F166 WeakPolarHBondContact O-CA 3.39Å; S92-F166 WeakPolarHBondContact O-CB 3.48Å; I93-F166 HydrophobicContact CD1-CB 3.95Å; I107-F166 HydrophobicContact CG1-CD1 4.25Å; I107-F166 HydrophobicContact CG1-CD2 4.13Å; I107-F166 HydrophobicContact CG1-CE1 4.25Å; I107-F166 HydrophobicContact CG1-CE2 4.15Å; I107-F166 HydrophobicContact CG1-CG 4.18Å; I107-F166 HydrophobicContact CG1-CZ 4.2Å; F110-F166 HydrophobicContact CB-CE2 4.44Å; F110-F166 HydrophobicContact CB-CZ 3.82Å; F110-F166 AromaticContact CD1-CE2 3.5Å; F110-F166 HydrophobicContact CD1-CE2 3.5Å; F110-F166 VanDerWaalsContact CD1-CE2 3.5Å; F110-F166 AromaticContact CD1-CZ 3.58Å; F110-F166 HydrophobicContact CD1-CZ 3.58Å; F110-F166 HydrophobicContact CD2-CZ 4.39Å; F110-F166 AromaticContact CE1-CE2 3.93Å; F110-F166 HydrophobicContact CE1-CE2 3.93Å; F110-F166 HydrophobicContact CE1-CZ 4.19Å; F110-F166 HydrophobicContact CG-CE2 4.1Å; F110-F166 AromaticContact CG-CZ 3.68Å; F110-F166 HydrophobicContact CG-CZ 3.68Å; L164-F166 HydrophobicContact CD2-CD1 4.03Å; L164-F166 HydrophobicContact CD2-CE1 4.26Å; L164-F166 HydrophobicContact CG-CD1 3.9Å; L164-F166 HydrophobicContact CG-CE1 4.49Å; F166-M168 HydrophobicContact CD2-CB 4.31Å; F166-M168 HydrophobicContact CE2-CB 4.18Å; F166-C173 HydrophobicContact CD1-CB 4.15Å; F166-C173 HydrophobicContact CE1-CB 3.61Å; F166-C173 HydrophobicContact CE2-CB 4.08Å; F166-C173 HydrophobicContact CZ-CB 3.57Å; F166-C173 PolarHBondContact N-O 3.44Å; F166-C173 PolarHBondContact O-N 3.38Å
167	K	96.2	Very high	95.4	Very high	101 Å²	101	26.4 Å²	26.4	44%	0.439	14%	0.14	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	136	169.7	-175.1	178.3	177.2	178.7	0	108.6	V91 S92 I94 D169 Y171	V91-K167 VanDerWaalsContact CA-O 3.3Å; V91-K167 WeakPolarHBondContact CA-O 3.29Å; S92-K167 PolarHBondContact N-O 2.86Å; S92-K167 PolarHBondContact O-N 2.83Å; I94-K167 HydrophobicContact CD1-CB 4.44Å; K167-D169 WeakPolarHBondContact CE-O 3.4Å; K167-Y171 CarbonylContact C-O 3.46Å; K167-Y171 VanDerWaalsContact CA-O 3.29Å; K167-Y171 WeakPolarHBondContact CA-O 3.25Å
168	M	94.2	Very high	95.4	Very high	2 Å²	2	24.5 Å²	24.5	1%	0.01	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	116	170.9	-172.8	-179.4	85.2	0	0	108.1	N90 V91 F110 Q111 I114 F166 N170 Y171	N90-M168 WeakPolarHBondContact ND2-CG 3.34Å; N90-M168 WeakPolarHBondContact O-CA 3.3Å; V91-M168 HydrophobicContact CG2-CB 4.12Å; V91-M168 HydrophobicContact CG2-CG 3.81Å; V91-M168 HydrophobicContact CG2-SD 4.23Å; F110-M168 HydrophobicContact CD1-CB 4.46Å; F110-M168 HydrophobicContact CD1-CE 3.53Å; F110-M168 HydrophobicContact CD1-SD 3.82Å; F110-M168 HydrophobicContact CE1-CB 4.08Å; F110-M168 HydrophobicContact CE1-CE 3.43Å; F110-M168 VanDerWaalsContact CE1-CE 3.43Å; F110-M168 HydrophobicContact CE1-SD 4.09Å; Q111-M168 HydrophobicContact CB-CE 4.45Å; Q111-M168 HydrophobicContact CB-SD 3.99Å; Q111-M168 HydrophobicContact CG-SD 4.25Å; I114-M168 HydrophobicContact CB-CE 4.01Å; I114-M168 HydrophobicContact CG1-CE 3.8Å; I114-M168 HydrophobicContact CG2-CE 4.16Å; F166-M168 HydrophobicContact CD2-CB 4.31Å; F166-M168 HydrophobicContact CE2-CB 4.18Å; M168-N170 PolarHBondContact O-N 2.79Å; M168-N170 VanDerWaalsContact O-N 3.14Å; M168-Y171 PolarHBondContact N-O 2.94Å; M168-Y171 PolarHBondContact O-N 2.63Å
169	D	91.3	Very high	95	Very high	86 Å²	86	25.5 Å²	25.5	46%	0.46	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.2	-115.4	-173.4	-52.5	-50.2	0	0	0	112.1	N90 K167	N90-D169 VanDerWaalsContact CB-OD1 3.31Å; N90-D169 WeakPolarHBondContact CB-OD1 3.19Å; N90-D169 VanDerWaalsContact ND2-CG 3.32Å; N90-D169 PolarHBondContact ND2-OD1 3.46Å; N90-D169 VanDerWaalsContact ND2-OD1 3.08Å; N90-D169 PolarHBondContact ND2-OD2 2.94Å; N90-D169 PolarHBondContact O-N 2.94Å; K167-D169 WeakPolarHBondContact CE-O 3.4Å
170	N	90.8	Very high	94.2	Very high	126 Å²	126	27 Å²	27	67%	0.674	15%	0.147	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.4	-5.1	-179.9	-67.3	-31.5	0	0	0	113.9	M168	M168-N170 PolarHBondContact O-N 2.79Å; M168-N170 VanDerWaalsContact O-N 3.14Å
171	Y	93.4	Very high	92.8	Very high	16 Å²	16	29.7 Å²	29.7	6%	0.063	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	133.7	-172.4	-60.2	-61.9	0	0	0	111.8	I114 A119 G121 L124 I147 M148 T149 K167 M168	I114-Y171 HydrophobicContact CD1-CD2 4.16Å; I114-Y171 HydrophobicContact CD1-CE2 4.22Å; A119-Y171 VanDerWaalsContact C-OH 3.28Å; A119-Y171 HydrophobicContact CB-CE2 4.39Å; A119-Y171 PolarHBondContact O-OH 2.93Å; G121-Y171 PolarHBondContact N-OH 3.41Å; L124-Y171 HydrophobicContact CD1-CD1 4.14Å; L124-Y171 HydrophobicContact CD1-CE1 3.63Å; L124-Y171 HydrophobicContact CD2-CD1 4.38Å; L124-Y171 HydrophobicContact CD2-CE1 4.05Å; L124-Y171 HydrophobicContact CG-CE1 4.4Å; I147-Y171 HydrophobicContact CG2-CD1 4.26Å; I147-Y171 HydrophobicContact CG2-CG 4.46Å; M148-Y171 WeakPolarHBondContact O-CA 3.47Å; T149-Y171 HydrophobicContact CG2-CD1 3.93Å; T149-Y171 HydrophobicContact CG2-CE1 3.75Å; K167-Y171 CarbonylContact C-O 3.46Å; K167-Y171 VanDerWaalsContact CA-O 3.29Å; K167-Y171 WeakPolarHBondContact CA-O 3.25Å; M168-Y171 PolarHBondContact N-O 2.94Å; M168-Y171 PolarHBondContact O-N 2.63Å
172	S	95.2	Very high	91	Very high	8 Å²	8	36.7 Å²	36.7	6%	0.056	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	123	163.1	-82.3	0	0	0	0	109	I147 M148 G150	I147-S172 WeakPolarHBondContact CA-O 3.32Å; M148-S172 PolarHBondContact N-O 3.25Å; M148-S172 PolarHBondContact O-N 3.33Å; G150-S172 PolarHBondContact O-OG 3.3Å
173	C	96.6	Very high	88.5	Confident	0 Å²	0	47.5 Å²	47.5	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	128.5	177.2	-175.2	0	0	0	0	109.5	F110 I146 Q165 F166	F110-C173 HydrophobicContact CE1-CB 4.44Å; F110-C173 HydrophobicContact CE2-CB 4.1Å; F110-C173 HydrophobicContact CZ-CB 4.06Å; I146-C173 CarbonylContact O-C 3.49Å; I146-C173 WeakPolarHBondContact O-CA 3.38Å; Q165-C173 WeakPolarHBondContact CA-O 3.39Å; F166-C173 HydrophobicContact CD1-CB 4.15Å; F166-C173 HydrophobicContact CE1-CB 3.61Å; F166-C173 HydrophobicContact CE2-CB 4.08Å; F166-C173 HydrophobicContact CZ-CB 3.57Å; F166-C173 PolarHBondContact N-O 3.44Å; F166-C173 PolarHBondContact O-N 3.38Å
174	S	97.9	Very high	86.2	Confident	1 Å²	1	52.7 Å²	52.7	1%	0.007	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	123.2	174.9	-63.6	0	0	0	0	109.6	I146 F152 Q165	I146-S174 PolarHBondContact N-O 2.97Å; I146-S174 PolarHBondContact O-N 3.21Å; F152-S174 VanDerWaalsContact CE2-OG 3.27Å; F152-S174 WeakPolarHBondContact CE2-OG 3.35Å; F152-S174 WeakPolarHBondContact CZ-OG 3.29Å; Q165-S174 WeakPolarHBondContact CG-OG 3.44Å
175	V	98.5	Very high	83.3	Confident	0 Å²	0	60 Å²	60	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	139.5	176.3	-53	0	0	0	0	110.7	V106 L131 L135 W143 H144 V145 S163 L164	V106-V175 HydrophobicContact CG1-CG2 4.23Å; L131-V175 HydrophobicContact CD2-CG1 3.99Å; L135-V175 HydrophobicContact CD1-CB 3.91Å; L135-V175 HydrophobicContact CD1-CG1 3.93Å; L135-V175 HydrophobicContact CD1-CG2 4.3Å; W143-V175 HydrophobicContact CE3-CB 4.36Å; W143-V175 HydrophobicContact CZ3-CG2 4.34Å; H144-V175 VanDerWaalsContact O-CA 3.23Å; H144-V175 WeakPolarHBondContact O-CA 3.37Å; V145-V175 HydrophobicContact CB-CG1 4.28Å; V145-V175 HydrophobicContact CG1-CG1 4.05Å; V145-V175 HydrophobicContact CG2-CB 4.49Å; V145-V175 HydrophobicContact CG2-CG1 3.87Å; S163-V175 WeakPolarHBondContact CA-O 3.47Å; L164-V175 HydrophobicContact CB-CG2 3.83Å; L164-V175 PolarHBondContact N-O 3.17Å; L164-V175 PolarHBondContact O-N 3.36Å
176	W	98	Very high	80.5	Confident	31 Å²	31	69 Å²	69	12%	0.117	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.7	149	170.9	67	94.3	0	0	0	111.8	H144 I146 M154 Y156 H158 C162	H144-W176 HydrophobicContact CB-CD2 3.9Å; H144-W176 HydrophobicContact CB-CE3 4.27Å; H144-W176 HydrophobicContact CB-CG 4.48Å; H144-W176 HydrophobicContact CB-CH2 4.05Å; H144-W176 HydrophobicContact CB-CZ2 3.63Å; H144-W176 HydrophobicContact CB-CZ3 4.33Å; H144-W176 AromaticContact CD2-CE2 3.95Å; H144-W176 AromaticContact CD2-NE1 3.43Å; H144-W176 PolarHBondContact CD2-NE1 3.3Å; H144-W176 AromaticContact CG-CE2 3.85Å; H144-W176 AromaticContact CG-CZ2 3.93Å; H144-W176 AromaticContact CG-NE1 3.81Å; H144-W176 PolarHBondContact N-O 3.1Å; H144-W176 PolarHBondContact O-N 3.44Å; H144-W176 VanDerWaalsContact O-N 3.13Å; I146-W176 HydrophobicContact CD1-CH2 3.53Å; I146-W176 HydrophobicContact CD1-CZ3 3.96Å; I146-W176 HydrophobicContact CG1-CH2 4.11Å; I146-W176 HydrophobicContact CG1-CZ3 4.2Å; M154-W176 HydrophobicContact CE-CH2 4.33Å; M154-W176 HydrophobicContact CE-CZ3 3.96Å; M154-W176 HydrophobicContact SD-CZ3 4.13Å; Y156-W176 HydrophobicContact CD2-CB 4.18Å; Y156-W176 HydrophobicContact CD2-CD2 4.27Å; Y156-W176 AromaticContact CD2-CG 3.93Å; Y156-W176 HydrophobicContact CD2-CG 3.93Å; Y156-W176 HydrophobicContact CE2-CB 4.17Å; Y156-W176 HydrophobicContact CE2-CG 4.38Å; Y156-W176 HydrophobicContact CG-CD2 4.47Å; H158-W176 HydrophobicContact CB-CB 4.07Å; C162-W176 CarbonylContact O-C 3.57Å; C162-W176 VanDerWaalsContact O-CA 3.23Å; C162-W176 WeakPolarHBondContact O-CA 3.36Å
177	R	96.5	Very high	79.7	Confident	1 Å²	1	72.4 Å²	72.4	0%	0.004	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	130.4	173.8	-165.1	171.4	63	177.3	-1.3	110.2	E68 Y139 V142 W143 H158 E159 C162	E68-R177 IonicContact OE1-CZ 2.9Å; E68-R177 IonicContact OE1-NH1 3.36Å; E68-R177 PolarHBondContact OE1-NH1 3.29Å; E68-R177 IonicContact OE1-NH2 3.52Å; E68-R177 IonicContact OE2-CZ 2.7Å; E68-R177 IonicContact OE2-NH1 3.62Å; E68-R177 PolarHBondContact OE2-NH1 2.95Å; E68-R177 IonicContact OE2-NH2 3.79Å; E68-R177 PolarHBondContact OE2-NH2 3.34Å; Y139-R177 WeakPolarHBondContact O-CD 3.4Å; Y139-R177 PolarHBondContact O-NH1 3Å; V142-R177 WeakPolarHBondContact O-CA 3.43Å; W143-R177 HydrophobicContact CD2-CB 3.87Å; W143-R177 HydrophobicContact CD2-CG 4.35Å; W143-R177 HydrophobicContact CE3-CB 4.12Å; W143-R177 HydrophobicContact CG-CB 4.45Å; W143-R177 HydrophobicContact CH2-CB 3.91Å; W143-R177 HydrophobicContact CZ2-CB 3.71Å; W143-R177 HydrophobicContact CZ2-CG 4.28Å; W143-R177 HydrophobicContact CZ3-CB 4.15Å; H158-R177 CarbonylContact C-O 3.55Å; H158-R177 WeakPolarHBondContact CA-O 3.46Å; H158-R177 WeakPolarHBondContact CB-O 3.09Å; E159-R177 PolarHBondContact N-O 2.96Å; E159-R177 IonicContact OE2-CZ 3.58Å; E159-R177 IonicContact OE2-NE 3.68Å; E159-R177 PolarHBondContact OE2-NE 3.36Å; E159-R177 IonicContact OE2-NH1 3.73Å; E159-R177 IonicContact OE2-NH2 2.65Å; E159-R177 PolarHBondContact OE2-NH2 3.23Å; C162-R177 HydrophobicContact CB-CB 3.65Å; C162-R177 PolarHBondContact O-N 2.86Å; C162-R177 VanDerWaalsContact SG-CZ 3.52Å; C162-R177 PolarHBondContact SG-NH2 2.94Å
178	T	93.1	Very high	78.8	Confident	52 Å²	52	70.9 Å²	70.9	32%	0.319	39%	0.391	S	S	.	.	P	Polyproline II helix	trans	-74	139.9	178	-71.2	0	0	0	0	110.7	V142 H144 S180	V142-T178 PolarHBondContact O-N 3.4Å; H144-T178 PolarHBondContact CD2-OG1 3.47Å; H144-T178 PolarHBondContact NE2-OG1 3.23Å; T178-S180 PolarHBondContact O-N 3.33Å; T178-S180 VanDerWaalsContact O-N 3.1Å
179	P	85.9	Confident	78	Confident	64 Å²	64	74.7 Å²	74.7	42%	0.416	41%	0.412	S	S	.	.	P	Polyproline II helix	trans	-50.6	116.9	172	-27.1	36.2	0	0	0	112.2	E159 G181	E159-P179 VanDerWaalsContact CG-CA 3.49Å; E159-P179 HydrophobicContact CG-CB 4.42Å; P179-G181 PolarHBondContact O-N 3.42Å
180	S	75.2	Confident	77.2	Confident	46 Å²	46	74.1 Å²	74.1	32%	0.322	41%	0.409	S	S	.	.	P	Polyproline II helix	trans	-65.3	119.7	167.2	57.4	0	0	0	0	107.6	E159 T178 Q182	E159-S180 VanDerWaalsContact OE1-CB 3.27Å; E159-S180 WeakPolarHBondContact OE1-CB 3.12Å; E159-S180 PolarHBondContact OE1-N 3.1Å; E159-S180 PolarHBondContact OE1-OG 3.47Å; T178-S180 PolarHBondContact O-N 3.33Å; T178-S180 VanDerWaalsContact O-N 3.1Å; S180-Q182 PolarHBondContact O-N 2.64Å
181	G	64.8	Low	76.3	Confident	80 Å²	80	70.8 Å²	70.8	83%	0.825	39%	0.393	S	S	*	.			trans	-68.7	18.2	178.7	0	0	0	0	0	114	P179 R183	P179-G181 PolarHBondContact O-N 3.42Å; G181-R183 PolarHBondContact O-N 2.97Å
182	Q	56.4	Low	75.2	Confident	149 Å²	149	74.5 Å²	74.5	70%	0.696	42%	0.415	S	S	*	.			trans	-66.7	108.8	-176.5	-72.3	-167.5	-6	0	0	109.7	S180 Y184	S180-Q182 PolarHBondContact O-N 2.64Å; Q182-Y184 PolarHBondContact O-N 3.2Å
183	R	44.7	Very low	73.8	Confident	231 Å²	231	79.2 Å²	79.2	87%	0.872	44%	0.44	S	S	*	.			trans	-69.5	122.7	157.2	-67.2	-176.9	175.4	-173.8	-1.5	106.4	G181 N185	G181-R183 PolarHBondContact O-N 2.97Å; R183-N185 PolarHBondContact O-N 3.23Å
184	Y	48.2	Very low	72	Confident	108 Å²	108	85.3 Å²	85.3	42%	0.424	47%	0.474	S	S	.	.			trans	-58.9	110	171.7	-73.3	-104.1	0	0	0	107.3	G63 I64 K65 Q182 S186	G63-Y184 VanDerWaalsContact O-CE2 3.29Å; G63-Y184 WeakPolarHBondContact O-CE2 3.31Å; G63-Y184 PolarHBondContact O-OH 3.04Å; I64-Y184 PolarHBondContact N-OH 3.14Å; I64-Y184 PolarHBondContact O-OH 3.38Å; K65-Y184 PolarHBondContact N-OH 3.46Å; Q182-Y184 PolarHBondContact O-N 3.2Å; Y184-S186 PolarHBondContact O-N 3.08Å
185	N	38.5	Very low	69.8	Low	154 Å²	154	92.3 Å²	92.3	82%	0.824	51%	0.513	S	S	*	.			trans	-75.6	118.1	163.4	-76.2	-19.4	0	0	0	106	R183	R183-N185 PolarHBondContact O-N 3.23Å
186	S	38.3	Very low	67.2	Low	192 Å²	192	100.7 Å²	100.7	100%	1.343	56%	0.56	S	S	*	*			trans	-45	0	171.2	53.1	0	0	0	0	113.4	Y184	Y184-S186 PolarHBondContact O-N 3.08Å

Retrieved 186 of 186 residues in 42.4 ms (Link to these results)

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