A0AA82N2M2_SCHMA Loading...

Uncharacterized protein AlphaSync

AlphaFold DB , UniProt , Accession A0AA82N2M2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 145 aa.

						>A0AA82N2M2_SCHMA|A0AA82N2M2
MFATRVSDIQSMRDTIVRSHPNGMKNIDEYIECKSKYFKAYRSNETWSTIQDLRGNYEKQFPDVNFNSSMLEEHFKENAELSENVMSQYSIENCDRLIPYQTIDVRLMDENINEKFEIGKEIDINLIKHEFLSKILKAINNVKTK
					

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters PDB PAE Table

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	73.2	Confident	86.5	Confident	141 Å²	141	73.8 Å²	73.8	70%	0.695	42%	0.417	S	S	*	.				0	-59.2	0	-152.9	174.7	178.8	0	0	111.8	A3 T4 R5 I118	M1-A3 PolarHBondContact O-N 3.08Å; M1-T4 VanDerWaalsContact O-CB 3.31Å; M1-T4 WeakPolarHBondContact O-CB 3.39Å; M1-T4 PolarHBondContact O-N 3.2Å; M1-R5 PolarHBondContact O-N 2.92Å; M1-I118 HydrophobicContact CB-CD1 4.17Å; M1-I118 HydrophobicContact CE-CD1 3.87Å; M1-I118 HydrophobicContact CE-CG1 4.26Å; M1-I118 HydrophobicContact CG-CD1 3.57Å; M1-I118 HydrophobicContact SD-CD1 3.6Å; M1-I118 HydrophobicContact SD-CG1 3.97Å
2	F	73.5	Confident	87.2	Confident	106 Å²	106	71.3 Å²	71.3	47%	0.465	40%	0.4	S	S	.	.	H	α-helix	trans	-56.4	-50.8	179.7	-171	-89.5	0	0	0	114	T4 R5 V6 K115	F2-T4 VanDerWaalsContact C-N 3.27Å; F2-T4 PolarHBondContact O-N 3.04Å; F2-R5 PolarHBondContact O-N 3.07Å; F2-R5 VanDerWaalsContact O-N 3.15Å; F2-V6 HydrophobicContact CD1-CG2 4.26Å; F2-V6 HydrophobicContact CE1-CG2 3.98Å; F2-V6 PolarHBondContact O-N 3.33Å; F2-V6 VanDerWaalsContact O-N 3.13Å; F2-K115 HydrophobicContact CD2-CG 3.86Å; F2-K115 HydrophobicContact CE2-CD 4.13Å; F2-K115 HydrophobicContact CE2-CG 3.47Å; F2-K115 VanDerWaalsContact CE2-CG 3.47Å; F2-K115 HydrophobicContact CZ-CD 4.28Å; F2-K115 HydrophobicContact CZ-CG 4.1Å
3	A	79.4	Confident	87.8	Confident	77 Å²	77	69.6 Å²	69.6	64%	0.636	38%	0.384	S	S	*	.	H	α-helix	trans	-59.5	-38.3	177.7	0	0	0	0	0	112.5	M1 V6 S7	M1-A3 PolarHBondContact O-N 3.08Å; A3-V6 PolarHBondContact O-N 3.06Å; A3-S7 PolarHBondContact O-N 2.78Å; A3-S7 VanDerWaalsContact O-N 3.15Å; A3-S7 PolarHBondContact O-OG 3.05Å
4	T	83.3	Confident	88.2	Confident	73 Å²	73	69.3 Å²	69.3	45%	0.448	38%	0.381	S	S	.	.	H	α-helix	trans	-61.2	-45.2	175.5	-43.1	0	0	0	0	111.1	M1 F2 V6 S7 D8	M1-T4 VanDerWaalsContact O-CB 3.31Å; M1-T4 WeakPolarHBondContact O-CB 3.39Å; M1-T4 PolarHBondContact O-N 3.2Å; F2-T4 VanDerWaalsContact C-N 3.27Å; F2-T4 PolarHBondContact O-N 3.04Å; T4-V6 VanDerWaalsContact C-N 3.33Å; T4-V6 PolarHBondContact O-N 3.42Å; T4-S7 WeakPolarHBondContact CA-OG 3.18Å; T4-S7 PolarHBondContact O-N 3.44Å; T4-S7 PolarHBondContact O-OG 2.96Å; T4-D8 WeakPolarHBondContact O-CB 3.44Å; T4-D8 PolarHBondContact O-N 3.14Å
5	R	86.8	Confident	88.6	Confident	54 Å²	54	67.5 Å²	67.5	20%	0.204	37%	0.373	C	S	.	.	H	α-helix	trans	-63.4	-37.9	177.9	-67.4	-64	-177.4	-143.2	-1.5	112.7	M1 F2 D8 I9 N111 E114 K115 I118	M1-R5 PolarHBondContact O-N 2.92Å; F2-R5 PolarHBondContact O-N 3.07Å; F2-R5 VanDerWaalsContact O-N 3.15Å; R5-D8 IonicContact NH1-OD2 3.56Å; R5-D8 PolarHBondContact O-N 3.38Å; R5-I9 WeakPolarHBondContact O-CD1 3.48Å; R5-I9 WeakPolarHBondContact O-CG1 3.24Å; R5-I9 PolarHBondContact O-N 3.18Å; R5-N111 WeakPolarHBondContact CD-OD1 3.38Å; R5-N111 PolarHBondContact NH1-OD1 2.9Å; R5-E114 IonicContact CZ-OE2 2.64Å; R5-E114 IonicContact NE-OE2 3.28Å; R5-E114 PolarHBondContact NE-OE2 3.4Å; R5-E114 IonicContact NH1-OE2 3.88Å; R5-E114 IonicContact NH2-OE2 3.95Å; R5-E114 PolarHBondContact NH2-OE2 3.28Å; R5-K115 HydrophobicContact CB-CB 4.29Å; R5-I118 HydrophobicContact CG-CD1 4.41Å
6	V	89.5	Confident	88.9	Confident	67 Å²	67	63.3 Å²	63.3	41%	0.406	35%	0.35	S	S	.	.	H	α-helix	trans	-62.9	-44.1	175.7	175.8	0	0	0	0	111.2	F2 A3 T4 Q10 K115	F2-V6 HydrophobicContact CD1-CG2 4.26Å; F2-V6 HydrophobicContact CE1-CG2 3.98Å; F2-V6 PolarHBondContact O-N 3.33Å; F2-V6 VanDerWaalsContact O-N 3.13Å; A3-V6 PolarHBondContact O-N 3.06Å; T4-V6 VanDerWaalsContact C-N 3.33Å; T4-V6 PolarHBondContact O-N 3.42Å; V6-Q10 PolarHBondContact O-N 3.45Å; V6-K115 HydrophobicContact CG2-CD 4.42Å
7	S	90.8	Very high	89.1	Confident	66 Å²	66	62.3 Å²	62.3	46%	0.462	35%	0.346	S	S	.	.	H	α-helix	trans	-66.5	-37.3	175.3	52.1	0	0	0	0	112.8	A3 T4 Q10 S11	A3-S7 PolarHBondContact O-N 2.78Å; A3-S7 VanDerWaalsContact O-N 3.15Å; A3-S7 PolarHBondContact O-OG 3.05Å; T4-S7 WeakPolarHBondContact CA-OG 3.18Å; T4-S7 PolarHBondContact O-N 3.44Å; T4-S7 PolarHBondContact O-OG 2.96Å; S7-Q10 PolarHBondContact O-N 3.44Å; S7-S11 WeakPolarHBondContact O-CB 3Å; S7-S11 PolarHBondContact O-N 3.09Å
8	D	92.3	Very high	89.3	Confident	47 Å²	47	68.9 Å²	68.9	25%	0.251	36%	0.364	S	S	.	.	H	α-helix	trans	-65.1	-45.5	179.4	-64	-17.2	0	0	0	110.8	T4 R5 Q10 S11 M12	T4-D8 WeakPolarHBondContact O-CB 3.44Å; T4-D8 PolarHBondContact O-N 3.14Å; R5-D8 IonicContact NH1-OD2 3.56Å; R5-D8 PolarHBondContact O-N 3.38Å; D8-Q10 VanDerWaalsContact C-N 3.32Å; D8-Q10 PolarHBondContact O-N 3.11Å; D8-S11 PolarHBondContact O-N 3.39Å; D8-M12 HydrophobicContact CB-CE 4.19Å; D8-M12 WeakPolarHBondContact O-CB 3.04Å; D8-M12 VanDerWaalsContact O-CG 3.28Å; D8-M12 WeakPolarHBondContact O-CG 3.44Å; D8-M12 PolarHBondContact O-N 2.95Å
9	I	94	Very high	89.4	Confident	14 Å²	14	68.7 Å²	68.7	7%	0.072	37%	0.369	C	S	.	.	H	α-helix	trans	-58.4	-45.6	175.9	-66.9	160.1	0	0	0	110.5	R5 M12 R13 I31 M108 N111 I112 K115	R5-I9 WeakPolarHBondContact O-CD1 3.48Å; R5-I9 WeakPolarHBondContact O-CG1 3.24Å; R5-I9 PolarHBondContact O-N 3.18Å; I9-M12 PolarHBondContact O-N 3.24Å; I9-R13 WeakPolarHBondContact O-CB 3.46Å; I9-R13 PolarHBondContact O-N 3.28Å; I9-I31 HydrophobicContact CG2-CG2 4.24Å; I9-M108 HydrophobicContact CG2-CG 4.24Å; I9-N111 HydrophobicContact CG1-CB 3.87Å; I9-I112 HydrophobicContact CD1-CB 4.47Å; I9-I112 HydrophobicContact CD1-CG1 3.8Å; I9-I112 HydrophobicContact CG1-CG1 4.04Å; I9-I112 HydrophobicContact CG2-CG1 4.31Å; I9-K115 HydrophobicContact CD1-CD 4.25Å
10	Q	94.6	Very high	89.3	Confident	95 Å²	95	68.2 Å²	68.2	44%	0.444	36%	0.364	S	S	.	.	H	α-helix	trans	-63.7	-43.3	178.4	-175	60.6	47.2	0	0	111.7	V6 S7 D8 M12 R13 D14	V6-Q10 PolarHBondContact O-N 3.45Å; S7-Q10 PolarHBondContact O-N 3.44Å; D8-Q10 VanDerWaalsContact C-N 3.32Å; D8-Q10 PolarHBondContact O-N 3.11Å; Q10-M12 VanDerWaalsContact C-N 3.35Å; Q10-M12 PolarHBondContact O-N 2.84Å; Q10-R13 VanDerWaalsContact NE2-CD 3.31Å; Q10-R13 WeakPolarHBondContact O-CB 3.42Å; Q10-R13 PolarHBondContact O-N 3.2Å; Q10-D14 PolarHBondContact NE2-OD1 2.88Å; Q10-D14 PolarHBondContact NE2-OD2 3.47Å; Q10-D14 VanDerWaalsContact O-CG 3.29Å; Q10-D14 PolarHBondContact O-N 3.28Å
11	S	94.5	Very high	88.9	Confident	72 Å²	72	69 Å²	69	50%	0.503	37%	0.374	S	S	.	.	H	α-helix	trans	-62.9	-40.5	177.8	-170.8	0	0	0	0	112.3	S7 D8 T15	S7-S11 WeakPolarHBondContact O-CB 3Å; S7-S11 PolarHBondContact O-N 3.09Å; D8-S11 PolarHBondContact O-N 3.39Å; S11-T15 WeakPolarHBondContact O-CB 3.26Å; S11-T15 PolarHBondContact O-N 2.92Å; S11-T15 PolarHBondContact O-OG1 3.11Å
12	M	94.2	Very high	89.3	Confident	44 Å²	44	68.5 Å²	68.5	22%	0.217	37%	0.373	C	S	.	.	H	α-helix	trans	-66.4	-46.3	175.6	-69.8	-177.6	-155.1	0	0	111.4	D8 I9 Q10 D14 T15 I16 L107 M108 N111	D8-M12 HydrophobicContact CB-CE 4.19Å; D8-M12 WeakPolarHBondContact O-CB 3.04Å; D8-M12 VanDerWaalsContact O-CG 3.28Å; D8-M12 WeakPolarHBondContact O-CG 3.44Å; D8-M12 PolarHBondContact O-N 2.95Å; I9-M12 PolarHBondContact O-N 3.24Å; Q10-M12 VanDerWaalsContact C-N 3.35Å; Q10-M12 PolarHBondContact O-N 2.84Å; M12-D14 VanDerWaalsContact C-N 3.32Å; M12-D14 PolarHBondContact O-N 3.38Å; M12-T15 WeakPolarHBondContact O-CB 3.35Å; M12-T15 PolarHBondContact O-N 3.04Å; M12-T15 VanDerWaalsContact O-N 3.11Å; M12-I16 VanDerWaalsContact O-CG1 3.26Å; M12-I16 WeakPolarHBondContact O-CG1 3.35Å; M12-I16 PolarHBondContact O-N 2.97Å; M12-L107 HydrophobicContact SD-CB 4.12Å; M12-M108 HydrophobicContact CB-CB 4.21Å; M12-M108 HydrophobicContact CB-CG 4.31Å; M12-M108 VanDerWaalsContact SD-CA 3.59Å; M12-M108 HydrophobicContact SD-CB 4.01Å; M12-N111 WeakPolarHBondContact CE-ND2 3.09Å
13	R	95	Very high	89.7	Confident	49 Å²	49	64.6 Å²	64.6	19%	0.185	36%	0.364	C	S	.	.	H	α-helix	trans	-52.9	-50.1	174.1	176.5	-125.4	-179.6	-105.8	-8.4	111.3	I9 Q10 T15 I16 V17 I27 D28 I31 M108	I9-R13 WeakPolarHBondContact O-CB 3.46Å; I9-R13 PolarHBondContact O-N 3.28Å; Q10-R13 VanDerWaalsContact NE2-CD 3.31Å; Q10-R13 WeakPolarHBondContact O-CB 3.42Å; Q10-R13 PolarHBondContact O-N 3.2Å; R13-T15 VanDerWaalsContact C-N 3.29Å; R13-T15 PolarHBondContact O-N 3.37Å; R13-I16 PolarHBondContact O-N 3.29Å; R13-V17 WeakPolarHBondContact O-CG2 3.36Å; R13-V17 PolarHBondContact O-N 3.47Å; R13-I27 HydrophobicContact CG-CG2 4.25Å; R13-D28 IonicContact CZ-OD1 2.71Å; R13-D28 VanDerWaalsContact CZ-OD1 3.28Å; R13-D28 IonicContact CZ-OD2 2.8Å; R13-D28 IonicContact NE-OD1 3.8Å; R13-D28 PolarHBondContact NE-OD1 2.84Å; R13-D28 IonicContact NE-OD2 3.25Å; R13-D28 VanDerWaalsContact NH2-CG 3.29Å; R13-D28 IonicContact NH2-OD1 3.83Å; R13-D28 PolarHBondContact NH2-OD1 3.4Å; R13-D28 IonicContact NH2-OD2 3.34Å; R13-D28 PolarHBondContact NH2-OD2 3.2Å; R13-I31 HydrophobicContact CB-CD1 3.78Å; R13-I31 HydrophobicContact CG-CD1 3.64Å; R13-M108 HydrophobicContact CB-SD 4.39Å
14	D	94.3	Very high	90.2	Very high	65 Å²	65	61.2 Å²	61.2	35%	0.348	33%	0.334	S	S	.	.	H	α-helix	trans	-65.1	-34.2	-179.7	-66.3	-23.1	0	0	0	112.3	Q10 M12 R18	Q10-D14 PolarHBondContact NE2-OD1 2.88Å; Q10-D14 PolarHBondContact NE2-OD2 3.47Å; Q10-D14 VanDerWaalsContact O-CG 3.29Å; Q10-D14 PolarHBondContact O-N 3.28Å; M12-D14 VanDerWaalsContact C-N 3.32Å; M12-D14 PolarHBondContact O-N 3.38Å; D14-R18 VanDerWaalsContact O-CB 3.24Å; D14-R18 WeakPolarHBondContact O-CB 3.28Å; D14-R18 PolarHBondContact O-N 3.33Å
15	T	93.7	Very high	90.3	Very high	43 Å²	43	64.9 Å²	64.9	26%	0.264	34%	0.344	S	S	.	.	H	α-helix	trans	-67.8	-42.2	174.4	-62.4	0	0	0	0	112.3	S11 M12 R13 R18 S19	S11-T15 WeakPolarHBondContact O-CB 3.26Å; S11-T15 PolarHBondContact O-N 2.92Å; S11-T15 PolarHBondContact O-OG1 3.11Å; M12-T15 WeakPolarHBondContact O-CB 3.35Å; M12-T15 PolarHBondContact O-N 3.04Å; M12-T15 VanDerWaalsContact O-N 3.11Å; R13-T15 VanDerWaalsContact C-N 3.29Å; R13-T15 PolarHBondContact O-N 3.37Å; T15-R18 PolarHBondContact OG1-NH2 3.37Å; T15-S19 WeakPolarHBondContact O-CB 3.35Å; T15-S19 PolarHBondContact O-N 3.44Å; T15-S19 PolarHBondContact O-OG 3.43Å
16	I	93.1	Very high	90.7	Very high	0 Å²	0	65.6 Å²	65.6	0%	0	35%	0.352	C	S	.	.	H	α-helix	trans	-63.6	-49.6	176.9	-69.6	162.8	0	0	0	110.4	M12 R13 R18 S19 H20 M24 I27 D104 V105 M108	M12-I16 VanDerWaalsContact O-CG1 3.26Å; M12-I16 WeakPolarHBondContact O-CG1 3.35Å; M12-I16 PolarHBondContact O-N 2.97Å; R13-I16 PolarHBondContact O-N 3.29Å; I16-R18 VanDerWaalsContact C-N 3.34Å; I16-R18 PolarHBondContact O-N 3.06Å; I16-S19 PolarHBondContact O-N 2.96Å; I16-H20 PolarHBondContact O-N 3.41Å; I16-M24 HydrophobicContact CG2-CB 3.94Å; I16-M24 HydrophobicContact CG2-CE 4.17Å; I16-M24 HydrophobicContact CG2-CG 3.57Å; I16-M24 HydrophobicContact CG2-SD 4.16Å; I16-I27 HydrophobicContact CG2-CD1 4.24Å; I16-I27 HydrophobicContact CG2-CG1 4.34Å; I16-D104 HydrophobicContact CD1-CB 4Å; I16-D104 HydrophobicContact CG1-CB 3.58Å; I16-V105 HydrophobicContact CD1-CG2 3.93Å; I16-V105 HydrophobicContact CG2-CG2 4.46Å; I16-M108 HydrophobicContact CD1-CB 4.48Å; I16-M108 HydrophobicContact CD1-CE 4.22Å; I16-M108 HydrophobicContact CD1-SD 3.95Å
17	V	92.9	Very high	90.9	Very high	46 Å²	46	62.5 Å²	62.5	28%	0.279	33%	0.333	S	S	.	.	H	α-helix	trans	-60.2	-44.5	179.4	171.6	0	0	0	0	111	R13 S19 H20 P21 I27	R13-V17 WeakPolarHBondContact O-CG2 3.36Å; R13-V17 PolarHBondContact O-N 3.47Å; V17-S19 VanDerWaalsContact C-N 3.3Å; V17-S19 PolarHBondContact O-N 3.24Å; V17-H20 CarbonylContact O-C 3.56Å; V17-H20 PolarHBondContact O-N 2.9Å; V17-P21 WeakPolarHBondContact O-CA 3.39Å; V17-P21 VanDerWaalsContact O-N 3.09Å; V17-I27 HydrophobicContact CG2-CG2 3.59Å
18	R	92.2	Very high	91.2	Very high	181 Å²	181	63 Å²	63	68%	0.683	33%	0.331	S	S	*	.	H	α-helix	trans	-63.8	-36.4	178.4	177.1	170.7	49.4	-148.3	-9.7	112.6	D14 T15 I16	D14-R18 VanDerWaalsContact O-CB 3.24Å; D14-R18 WeakPolarHBondContact O-CB 3.28Å; D14-R18 PolarHBondContact O-N 3.33Å; T15-R18 PolarHBondContact OG1-NH2 3.37Å; I16-R18 VanDerWaalsContact C-N 3.34Å; I16-R18 PolarHBondContact O-N 3.06Å
19	S	90.6	Very high	91.4	Very high	65 Å²	65	65.7 Å²	65.7	46%	0.455	34%	0.342	S	S	.	.	H	α-helix	trans	-78.4	-28.6	-179.3	-54.6	0	0	0	0	112.5	T15 I16 V17	T15-S19 WeakPolarHBondContact O-CB 3.35Å; T15-S19 PolarHBondContact O-N 3.44Å; T15-S19 PolarHBondContact O-OG 3.43Å; I16-S19 PolarHBondContact O-N 2.96Å; V17-S19 VanDerWaalsContact C-N 3.3Å; V17-S19 PolarHBondContact O-N 3.24Å
20	H	87.4	Confident	91.6	Very high	59 Å²	59	65 Å²	65	27%	0.273	34%	0.339	S	S	.	.			trans	-137.6	60.9	-174.5	-55.1	96.3	0	0	0	112.4	I16 V17 N22 G23 M24 Y100	I16-H20 PolarHBondContact O-N 3.41Å; V17-H20 CarbonylContact O-C 3.56Å; V17-H20 PolarHBondContact O-N 2.9Å; H20-N22 PolarHBondContact O-N 3.27Å; H20-G23 PolarHBondContact O-N 2.7Å; H20-M24 HydrophobicContact CB-CB 4.41Å; H20-M24 HydrophobicContact CB-CG 3.72Å; H20-M24 PolarHBondContact O-N 2.82Å; H20-M24 VanDerWaalsContact O-N 3.09Å; H20-Y100 AromaticContact CD2-CZ 3.97Å; H20-Y100 PolarHBondContact CD2-OH 2.81Å
21	P	81.1	Confident	91.7	Very high	86 Å²	86	61.7 Å²	61.7	56%	0.558	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	-31.1	-167.1	22	-34	0	0	0	114	V17	V17-P21 WeakPolarHBondContact O-CA 3.39Å; V17-P21 VanDerWaalsContact O-N 3.09Å
22	N	81.6	Confident	91.9	Very high	129 Å²	129	63.2 Å²	63.2	69%	0.69	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.4	-23	178.6	-69.2	-38.5	0	0	0	113.9	H20	H20-N22 PolarHBondContact O-N 3.27Å
23	G	81.8	Confident	92.1	Very high	25 Å²	25	61.6 Å²	61.6	26%	0.258	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84	-27.5	-176.2	0	0	0	0	0	113	H20 P99	H20-G23 PolarHBondContact O-N 2.7Å; G23-P99 WeakPolarHBondContact O-CD 3.37Å; G23-P99 WeakPolarHBondContact O-CG 3.25Å
24	M	89.8	Confident	92.3	Very high	5 Å²	5	59.6 Å²	59.6	3%	0.025	31%	0.308	C	S	.	.			trans	-113.2	37.2	-170.9	-65.1	-67.3	-164.8	0	0	112.5	I16 H20 N26 I27 I98 Y100 T102 V105	I16-M24 HydrophobicContact CG2-CB 3.94Å; I16-M24 HydrophobicContact CG2-CE 4.17Å; I16-M24 HydrophobicContact CG2-CG 3.57Å; I16-M24 HydrophobicContact CG2-SD 4.16Å; H20-M24 HydrophobicContact CB-CB 4.41Å; H20-M24 HydrophobicContact CB-CG 3.72Å; H20-M24 PolarHBondContact O-N 2.82Å; H20-M24 VanDerWaalsContact O-N 3.09Å; M24-N26 VanDerWaalsContact C-N 3.27Å; M24-N26 PolarHBondContact O-N 3.04Å; M24-I27 HydrophobicContact CB-CB 4.34Å; M24-I27 WeakPolarHBondContact O-CB 3.44Å; M24-I27 WeakPolarHBondContact O-CG2 3.43Å; M24-I27 PolarHBondContact O-N 3.45Å; M24-I98 HydrophobicContact SD-CB 4.11Å; M24-I98 HydrophobicContact SD-CG2 4.09Å; M24-Y100 HydrophobicContact CE-CD2 3.77Å; M24-Y100 HydrophobicContact CE-CE2 3.5Å; M24-Y100 WeakPolarHBondContact CE-O 3.41Å; M24-T102 HydrophobicContact CE-CG2 4.01Å; M24-V105 HydrophobicContact CE-CG2 3.79Å
25	K	86.6	Confident	92.4	Very high	150 Å²	150	57.6 Å²	57.6	65%	0.652	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-33	-174.8	-71	-177.9	-179.9	-176.5	0	113.7
26	N	94.1	Very high	92.7	Very high	70 Å²	70	58.7 Å²	58.7	37%	0.374	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.9	22.9	-178.2	-56.8	-9.1	0	0	0	112.1	M24 D28 E29 Y30 L97	M24-N26 VanDerWaalsContact C-N 3.27Å; M24-N26 PolarHBondContact O-N 3.04Å; N26-D28 PolarHBondContact O-N 3.23Å; N26-E29 HydrophobicContact CB-CB 4.45Å; N26-E29 PolarHBondContact O-N 3.24Å; N26-Y30 WeakPolarHBondContact O-CB 3.46Å; N26-Y30 PolarHBondContact O-N 3.4Å; N26-L97 HydrophobicContact CB-CB 4.5Å; N26-L97 WeakPolarHBondContact CB-O 3.35Å
27	I	95.2	Very high	92.9	Very high	2 Å²	2	60.3 Å²	60.3	1%	0.01	31%	0.307	C	S	.	.	H	α-helix	trans	-60.2	-31.7	-178.6	-167.4	62.1	0	0	0	112.4	R13 I16 V17 M24 Y30 I31 I98 M108	R13-I27 HydrophobicContact CG-CG2 4.25Å; I16-I27 HydrophobicContact CG2-CD1 4.24Å; I16-I27 HydrophobicContact CG2-CG1 4.34Å; V17-I27 HydrophobicContact CG2-CG2 3.59Å; M24-I27 HydrophobicContact CB-CB 4.34Å; M24-I27 WeakPolarHBondContact O-CB 3.44Å; M24-I27 WeakPolarHBondContact O-CG2 3.43Å; M24-I27 PolarHBondContact O-N 3.45Å; I27-Y30 HydrophobicContact CD1-CD1 4Å; I27-Y30 WeakPolarHBondContact O-CB 3.2Å; I27-Y30 PolarHBondContact O-N 2.9Å; I27-I31 HydrophobicContact CG1-CD1 4.17Å; I27-I31 WeakPolarHBondContact O-CD1 3.49Å; I27-I31 VanDerWaalsContact O-CG1 3.23Å; I27-I31 WeakPolarHBondContact O-CG1 3.47Å; I27-I31 PolarHBondContact O-N 2.93Å; I27-I98 HydrophobicContact CD1-CG2 4.2Å; I27-M108 HydrophobicContact CD1-CE 3.73Å; I27-M108 HydrophobicContact CG1-CE 4.37Å
28	D	96.1	Very high	93.2	Very high	77 Å²	77	59.2 Å²	59.2	41%	0.412	30%	0.298	S	S	.	.	H	α-helix	trans	-68.3	-45.7	177.7	-68	-29.6	0	0	0	111.6	R13 N26 Y30 I31 E32	R13-D28 IonicContact CZ-OD1 2.71Å; R13-D28 VanDerWaalsContact CZ-OD1 3.28Å; R13-D28 IonicContact CZ-OD2 2.8Å; R13-D28 IonicContact NE-OD1 3.8Å; R13-D28 PolarHBondContact NE-OD1 2.84Å; R13-D28 IonicContact NE-OD2 3.25Å; R13-D28 VanDerWaalsContact NH2-CG 3.29Å; R13-D28 IonicContact NH2-OD1 3.83Å; R13-D28 PolarHBondContact NH2-OD1 3.4Å; R13-D28 IonicContact NH2-OD2 3.34Å; R13-D28 PolarHBondContact NH2-OD2 3.2Å; N26-D28 PolarHBondContact O-N 3.23Å; D28-Y30 VanDerWaalsContact C-N 3.26Å; D28-Y30 PolarHBondContact O-N 2.9Å; D28-I31 PolarHBondContact O-N 2.66Å; D28-E32 PolarHBondContact O-N 2.9Å
29	E	97.3	Very high	93.4	Very high	103 Å²	103	56.6 Å²	56.6	48%	0.481	29%	0.292	S	S	.	.	H	α-helix	trans	-62.1	-38.1	174.9	-62	173.8	172.7	0	0	110.7	N26 E32 C33 L97	N26-E29 HydrophobicContact CB-CB 4.45Å; N26-E29 PolarHBondContact O-N 3.24Å; E29-E32 PolarHBondContact O-N 2.87Å; E29-C33 VanDerWaalsContact O-CB 3.25Å; E29-C33 WeakPolarHBondContact O-CB 3.47Å; E29-C33 PolarHBondContact O-N 3.36Å; E29-L97 HydrophobicContact CB-CD1 4.19Å
30	Y	97.5	Very high	93.8	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-62.3	-48.9	174.1	173.6	-89.3	0	0	0	112.3	N26 I27 D28 E32 C33 K34 C94 I98 V105 M108 D109	N26-Y30 WeakPolarHBondContact O-CB 3.46Å; N26-Y30 PolarHBondContact O-N 3.4Å; I27-Y30 HydrophobicContact CD1-CD1 4Å; I27-Y30 WeakPolarHBondContact O-CB 3.2Å; I27-Y30 PolarHBondContact O-N 2.9Å; D28-Y30 VanDerWaalsContact C-N 3.26Å; D28-Y30 PolarHBondContact O-N 2.9Å; Y30-E32 VanDerWaalsContact C-N 3.31Å; Y30-E32 PolarHBondContact O-N 2.96Å; Y30-C33 PolarHBondContact O-N 3.22Å; Y30-K34 HydrophobicContact CD1-CG 4.35Å; Y30-K34 HydrophobicContact CE1-CG 3.91Å; Y30-K34 HydrophobicContact CE2-CG 4.14Å; Y30-K34 VanDerWaalsContact CZ-CE 3.48Å; Y30-K34 WeakPolarHBondContact O-CG 3.49Å; Y30-K34 PolarHBondContact O-N 3.36Å; Y30-K34 WeakPolarHBondContact OH-CE 3.35Å; Y30-K34 PolarHBondContact OH-NZ 3.46Å; Y30-C94 VanDerWaalsContact CD2-O 3.26Å; Y30-C94 WeakPolarHBondContact CD2-O 3.41Å; Y30-I98 HydrophobicContact CD2-CB 4.41Å; Y30-I98 HydrophobicContact CD2-CD1 3.78Å; Y30-I98 HydrophobicContact CD2-CG1 3.75Å; Y30-I98 HydrophobicContact CD2-CG2 3.88Å; Y30-I98 HydrophobicContact CE1-CD1 4.25Å; Y30-I98 HydrophobicContact CE2-CD1 3.43Å; Y30-I98 VanDerWaalsContact CE2-CD1 3.43Å; Y30-I98 HydrophobicContact CE2-CG1 3.76Å; Y30-I98 HydrophobicContact CG-CD1 4.31Å; Y30-I98 HydrophobicContact CG-CG1 4.48Å; Y30-I98 HydrophobicContact CG-CG2 3.84Å; Y30-V105 HydrophobicContact CE1-CG1 3.98Å; Y30-V105 WeakPolarHBondContact OH-CG1 3.38Å; Y30-M108 HydrophobicContact CD1-CE 3.8Å; Y30-M108 HydrophobicContact CE1-CE 3.68Å; Y30-D109 WeakPolarHBondContact CE1-OD1 3.18Å; Y30-D109 VanDerWaalsContact CZ-OD1 3.31Å; Y30-D109 PolarHBondContact OH-OD1 2.73Å; Y30-D109 PolarHBondContact OH-OD2 3.05Å
31	I	97.6	Very high	94.3	Very high	25 Å²	25	54.8 Å²	54.8	13%	0.128	27%	0.274	C	S	.	.	H	α-helix	trans	-60.7	-42.9	177.6	-70.8	163.2	0	0	0	110.4	I9 R13 I27 D28 S35 M108 I112	I9-I31 HydrophobicContact CG2-CG2 4.24Å; R13-I31 HydrophobicContact CB-CD1 3.78Å; R13-I31 HydrophobicContact CG-CD1 3.64Å; I27-I31 HydrophobicContact CG1-CD1 4.17Å; I27-I31 WeakPolarHBondContact O-CD1 3.49Å; I27-I31 VanDerWaalsContact O-CG1 3.23Å; I27-I31 WeakPolarHBondContact O-CG1 3.47Å; I27-I31 PolarHBondContact O-N 2.93Å; D28-I31 PolarHBondContact O-N 2.66Å; I31-S35 WeakPolarHBondContact O-CB 3.22Å; I31-S35 PolarHBondContact O-N 2.73Å; I31-S35 PolarHBondContact O-OG 3.37Å; I31-M108 HydrophobicContact CD1-CE 4.07Å; I31-M108 HydrophobicContact CD1-SD 3.58Å; I31-M108 VanDerWaalsContact CD1-SD 3.58Å; I31-M108 HydrophobicContact CG1-CE 3.55Å; I31-M108 HydrophobicContact CG1-SD 3.63Å; I31-I112 HydrophobicContact CG1-CD1 4.42Å; I31-I112 HydrophobicContact CG2-CD1 4.16Å
32	E	98	Very high	95	Very high	104 Å²	104	52 Å²	52	49%	0.486	25%	0.253	S	S	.	.	H	α-helix	trans	-62.6	-46.4	176.6	-171.8	-175.9	159.9	0	0	111.2	D28 E29 Y30 S35 K36	D28-E32 PolarHBondContact O-N 2.9Å; E29-E32 PolarHBondContact O-N 2.87Å; Y30-E32 VanDerWaalsContact C-N 3.31Å; Y30-E32 PolarHBondContact O-N 2.96Å; E32-S35 PolarHBondContact O-N 3.5Å; E32-K36 HydrophobicContact CG-CD 4.33Å; E32-K36 WeakPolarHBondContact O-CG 3.23Å; E32-K36 PolarHBondContact O-N 3.17Å; E32-K36 VanDerWaalsContact OE1-CE 3.24Å; E32-K36 WeakPolarHBondContact OE1-CE 3.11Å; E32-K36 IonicContact OE1-NZ 3.22Å; E32-K36 PolarHBondContact OE1-NZ 2.65Å
33	C	98.7	Very high	95.7	Very high	10 Å²	10	47 Å²	47	7%	0.068	23%	0.228	C	C	.	.	H	α-helix	trans	-58.5	-53.3	178.2	-172.4	0	0	0	0	111.5	E29 Y30 S35 K36 Y37 Y89 C94 L97	E29-C33 VanDerWaalsContact O-CB 3.25Å; E29-C33 WeakPolarHBondContact O-CB 3.47Å; E29-C33 PolarHBondContact O-N 3.36Å; Y30-C33 PolarHBondContact O-N 3.22Å; C33-S35 VanDerWaalsContact C-N 3.3Å; C33-S35 PolarHBondContact O-N 2.82Å; C33-K36 PolarHBondContact O-N 3.36Å; C33-Y37 PolarHBondContact O-N 2.81Å; C33-Y89 HydrophobicContact CB-CD1 4.33Å; C33-C94 HydrophobicContact CB-CB 3.77Å; C33-C94 WeakPolarHBondContact CB-SG 3.41Å; C33-C94 WeakPolarHBondContact SG-CA 3.31Å; C33-C94 WeakPolarHBondContact SG-CB 3.37Å; C33-C94 CovalentContact SG-SG 2.04Å; C33-C94 PolarHBondContact SG-SG 3.17Å; C33-L97 HydrophobicContact CB-CD1 3.82Å
34	K	98.1	Very high	96.4	Very high	6 Å²	6	47.8 Å²	47.8	3%	0.026	23%	0.226	C	C	.	.	H	α-helix	trans	-60.9	-38.8	177.1	-71.3	-75.3	179.9	147.3	0	111.9	Y30 Y37 F38 C94 D95 D109 I112	Y30-K34 HydrophobicContact CD1-CG 4.35Å; Y30-K34 HydrophobicContact CE1-CG 3.91Å; Y30-K34 HydrophobicContact CE2-CG 4.14Å; Y30-K34 VanDerWaalsContact CZ-CE 3.48Å; Y30-K34 WeakPolarHBondContact O-CG 3.49Å; Y30-K34 PolarHBondContact O-N 3.36Å; Y30-K34 WeakPolarHBondContact OH-CE 3.35Å; Y30-K34 PolarHBondContact OH-NZ 3.46Å; K34-Y37 PolarHBondContact O-N 2.83Å; K34-F38 HydrophobicContact CB-CD2 4.29Å; K34-F38 HydrophobicContact CB-CE2 4.31Å; K34-F38 HydrophobicContact CD-CE2 4.1Å; K34-F38 WeakPolarHBondContact O-CB 3.49Å; K34-F38 WeakPolarHBondContact O-CD2 3.21Å; K34-F38 PolarHBondContact O-N 2.89Å; K34-C94 HydrophobicContact CD-CB 4.11Å; K34-C94 HydrophobicContact CG-CB 4.15Å; K34-D95 WeakPolarHBondContact CE-OD1 3.3Å; K34-D95 IonicContact NZ-OD1 3.05Å; K34-D95 PolarHBondContact NZ-OD1 3.27Å; K34-D109 WeakPolarHBondContact CE-OD2 3.49Å; K34-D109 IonicContact NZ-OD2 3.28Å; K34-D109 PolarHBondContact NZ-OD2 2.92Å; K34-I112 HydrophobicContact CB-CD1 4.18Å; K34-I112 HydrophobicContact CB-CG2 4.49Å
35	S	98.2	Very high	96.7	Very high	24 Å²	24	49.9 Å²	49.9	17%	0.168	24%	0.235	C	C	.	.	H	α-helix	trans	-63.5	-43.6	177.7	-65.5	0	0	0	0	112	I31 E32 C33 K39 F116	I31-S35 WeakPolarHBondContact O-CB 3.22Å; I31-S35 PolarHBondContact O-N 2.73Å; I31-S35 PolarHBondContact O-OG 3.37Å; E32-S35 PolarHBondContact O-N 3.5Å; C33-S35 VanDerWaalsContact C-N 3.3Å; C33-S35 PolarHBondContact O-N 2.82Å; S35-K39 VanDerWaalsContact O-CB 3.23Å; S35-K39 WeakPolarHBondContact O-CB 3.34Å; S35-K39 PolarHBondContact O-N 2.92Å; S35-F116 VanDerWaalsContact O-CE2 3.31Å; S35-F116 WeakPolarHBondContact O-CE2 3.42Å; S35-F116 WeakPolarHBondContact O-CZ 3.42Å
36	K	98.3	Very high	97.2	Very high	66 Å²	66	42.8 Å²	42.8	29%	0.287	21%	0.205	S	C	.	.	H	α-helix	trans	-65	-43.2	176.1	-75.1	176	171.9	168.1	0	111.4	E32 C33 A40 V85 Y89	E32-K36 HydrophobicContact CG-CD 4.33Å; E32-K36 WeakPolarHBondContact O-CG 3.23Å; E32-K36 PolarHBondContact O-N 3.17Å; E32-K36 VanDerWaalsContact OE1-CE 3.24Å; E32-K36 WeakPolarHBondContact OE1-CE 3.11Å; E32-K36 IonicContact OE1-NZ 3.22Å; E32-K36 PolarHBondContact OE1-NZ 2.65Å; C33-K36 PolarHBondContact O-N 3.36Å; K36-A40 WeakPolarHBondContact O-CB 3.49Å; K36-A40 PolarHBondContact O-N 2.6Å; K36-A40 VanDerWaalsContact O-N 3.1Å; K36-V85 HydrophobicContact CB-CG1 4.29Å; K36-Y89 HydrophobicContact CB-CD1 4.21Å; K36-Y89 HydrophobicContact CB-CD2 4.01Å; K36-Y89 HydrophobicContact CB-CE2 4.44Å; K36-Y89 HydrophobicContact CB-CG 3.89Å; K36-Y89 HydrophobicContact CD-CD1 3.85Å; K36-Y89 HydrophobicContact CD-CD2 4.07Å; K36-Y89 HydrophobicContact CD-CE1 3.42Å; K36-Y89 VanDerWaalsContact CD-CE1 3.42Å; K36-Y89 HydrophobicContact CD-CE2 3.69Å; K36-Y89 HydrophobicContact CD-CG 4.15Å; K36-Y89 PolarHBondContact NZ-OH 2.91Å
37	Y	98.4	Very high	97.3	Very high	34 Å²	34	41 Å²	41	13%	0.133	19%	0.193	C	C	.	.	H	α-helix	trans	-57.3	-58	174.6	179.9	-96.7	0	0	0	112.1	C33 K34 K39 A40 Y41 M86 Y89 I91	C33-Y37 PolarHBondContact O-N 2.81Å; K34-Y37 PolarHBondContact O-N 2.83Å; Y37-K39 VanDerWaalsContact C-N 3.33Å; Y37-K39 PolarHBondContact O-N 3.26Å; Y37-A40 PolarHBondContact O-N 2.99Å; Y37-Y41 WeakPolarHBondContact O-CB 3.37Å; Y37-Y41 PolarHBondContact O-N 3.47Å; Y37-M86 HydrophobicContact CD2-CG 4.45Å; Y37-M86 HydrophobicContact CE2-CB 4.39Å; Y37-M86 HydrophobicContact CE2-CE 4.22Å; Y37-M86 HydrophobicContact CE2-CG 4.38Å; Y37-Y89 VanDerWaalsContact CB-O 3.28Å; Y37-Y89 WeakPolarHBondContact CB-O 3.4Å; Y37-Y89 VanDerWaalsContact CD2-O 3.23Å; Y37-Y89 WeakPolarHBondContact CD2-O 3.42Å; Y37-I91 HydrophobicContact CD1-CD1 4.34Å; Y37-I91 HydrophobicContact CD1-CG1 3.88Å; Y37-I91 HydrophobicContact CD2-CG1 4.34Å; Y37-I91 HydrophobicContact CE1-CD1 3.55Å; Y37-I91 HydrophobicContact CE1-CG1 3.55Å; Y37-I91 HydrophobicContact CE2-CD1 4.46Å; Y37-I91 HydrophobicContact CE2-CG1 4.02Å; Y37-I91 HydrophobicContact CG-CG1 4.28Å
38	F	98.3	Very high	97.4	Very high	23 Å²	23	43.8 Å²	43.8	10%	0.101	21%	0.212	C	C	.	.	H	α-helix	trans	-65.9	-35.9	-175.5	-74.8	-57.9	0	0	0	111.9	K34 A40 Y41 R42 I112 N113 F116	K34-F38 HydrophobicContact CB-CD2 4.29Å; K34-F38 HydrophobicContact CB-CE2 4.31Å; K34-F38 HydrophobicContact CD-CE2 4.1Å; K34-F38 WeakPolarHBondContact O-CB 3.49Å; K34-F38 WeakPolarHBondContact O-CD2 3.21Å; K34-F38 PolarHBondContact O-N 2.89Å; F38-A40 PolarHBondContact O-N 3.25Å; F38-Y41 PolarHBondContact O-N 3.3Å; F38-R42 WeakPolarHBondContact O-CB 3.33Å; F38-R42 VanDerWaalsContact O-CG 3.27Å; F38-R42 WeakPolarHBondContact O-CG 3.45Å; F38-R42 PolarHBondContact O-N 3.47Å; F38-I112 HydrophobicContact CD2-CB 4.39Å; F38-I112 HydrophobicContact CD2-CG2 3.78Å; F38-N113 HydrophobicContact CD1-CB 3.94Å; F38-N113 WeakPolarHBondContact CD1-OD1 3.47Å; F38-N113 HydrophobicContact CD2-CB 4.14Å; F38-N113 HydrophobicContact CE1-CB 3.9Å; F38-N113 HydrophobicContact CE2-CB 4.07Å; F38-N113 HydrophobicContact CG-CB 4.08Å; F38-N113 HydrophobicContact CZ-CB 3.96Å; F38-F116 HydrophobicContact CB-CD2 3.77Å; F38-F116 HydrophobicContact CB-CE2 4.39Å
39	K	97.4	Very high	97.5	Very high	126 Å²	126	42.1 Å²	42.1	55%	0.548	21%	0.205	S	C	.	.	H	α-helix	trans	-56.7	-52.2	172.1	-175	-179.3	175.4	-174.7	0	111.2	S35 Y37 R42 S43 F116	S35-K39 VanDerWaalsContact O-CB 3.23Å; S35-K39 WeakPolarHBondContact O-CB 3.34Å; S35-K39 PolarHBondContact O-N 2.92Å; Y37-K39 VanDerWaalsContact C-N 3.33Å; Y37-K39 PolarHBondContact O-N 3.26Å; K39-R42 PolarHBondContact O-N 3.15Å; K39-S43 PolarHBondContact O-N 3.24Å; K39-S43 PolarHBondContact O-OG 3.43Å; K39-F116 HydrophobicContact CB-CD1 3.82Å; K39-F116 HydrophobicContact CB-CE1 3.58Å; K39-F116 HydrophobicContact CB-CE2 4.35Å; K39-F116 HydrophobicContact CB-CG 4.31Å; K39-F116 HydrophobicContact CB-CZ 3.87Å; K39-F116 HydrophobicContact CD-CE1 4.17Å; K39-F116 HydrophobicContact CG-CD1 4.04Å; K39-F116 HydrophobicContact CG-CE1 3.82Å
40	A	97.8	Very high	97.4	Very high	3 Å²	3	37.2 Å²	37.2	3%	0.025	18%	0.182	C	C	.	.	H	α-helix	trans	-64.1	-43.3	-179	0	0	0	0	0	112	K36 Y37 F38 R42 S43 N44 S82 V85 M86	K36-A40 WeakPolarHBondContact O-CB 3.49Å; K36-A40 PolarHBondContact O-N 2.6Å; K36-A40 VanDerWaalsContact O-N 3.1Å; Y37-A40 PolarHBondContact O-N 2.99Å; F38-A40 PolarHBondContact O-N 3.25Å; A40-R42 PolarHBondContact O-N 2.85Å; A40-S43 PolarHBondContact O-N 2.88Å; A40-N44 PolarHBondContact O-N 3.41Å; A40-S82 WeakPolarHBondContact CA-OG 3.27Å; A40-S82 VanDerWaalsContact O-CB 3.31Å; A40-S82 WeakPolarHBondContact O-CB 3.45Å; A40-S82 PolarHBondContact O-OG 3.45Å; A40-V85 HydrophobicContact CB-CB 3.83Å; A40-V85 HydrophobicContact CB-CG1 3.65Å; A40-M86 HydrophobicContact CB-CG 3.68Å
41	Y	97.8	Very high	97.3	Very high	82 Å²	82	41 Å²	41	32%	0.322	20%	0.2	S	C	.	.	H	α-helix	trans	-56.2	-48.7	174.5	178.6	-106	0	0	0	111.9	Y37 F38 N44 E45 M86	Y37-Y41 WeakPolarHBondContact O-CB 3.37Å; Y37-Y41 PolarHBondContact O-N 3.47Å; F38-Y41 PolarHBondContact O-N 3.3Å; Y41-N44 PolarHBondContact O-N 2.87Å; Y41-E45 HydrophobicContact CE1-CG 4.21Å; Y41-E45 PolarHBondContact O-N 3.21Å; Y41-E45 PolarHBondContact OH-OE1 2.89Å; Y41-E45 VanDerWaalsContact OH-OE1 3.1Å; Y41-M86 HydrophobicContact CD2-CE 3.83Å; Y41-M86 HydrophobicContact CD2-SD 4.49Å
42	R	97.1	Very high	97.2	Very high	29 Å²	29	44.5 Å²	44.5	11%	0.109	22%	0.219	C	C	.	.	H	α-helix	trans	-67.7	-35.6	178.1	-63.8	-47.9	178.2	163	13.3	112.6	F38 K39 A40 N44 E45 T46 N113 F116 E117 K120	F38-R42 WeakPolarHBondContact O-CB 3.33Å; F38-R42 VanDerWaalsContact O-CG 3.27Å; F38-R42 WeakPolarHBondContact O-CG 3.45Å; F38-R42 PolarHBondContact O-N 3.47Å; K39-R42 PolarHBondContact O-N 3.15Å; A40-R42 PolarHBondContact O-N 2.85Å; R42-N44 VanDerWaalsContact C-N 3.32Å; R42-N44 PolarHBondContact O-N 3.1Å; R42-E45 VanDerWaalsContact CD-OE2 3.25Å; R42-E45 WeakPolarHBondContact CD-OE2 3.26Å; R42-E45 IonicContact CZ-OE2 2.66Å; R42-E45 IonicContact NE-OE2 3.86Å; R42-E45 IonicContact NH1-OE1 2.6Å; R42-E45 IonicContact NH1-OE2 3.61Å; R42-E45 PolarHBondContact NH1-OE2 3.15Å; R42-E45 PolarHBondContact O-N 3.38Å; R42-T46 WeakPolarHBondContact O-CB 3.42Å; R42-T46 PolarHBondContact O-N 3.33Å; R42-T46 PolarHBondContact O-OG1 3.15Å; R42-N113 VanDerWaalsContact CZ-OD1 3.28Å; R42-N113 PolarHBondContact NE-OD1 3.07Å; R42-N113 VanDerWaalsContact NE-OD1 3.07Å; R42-N113 VanDerWaalsContact NH2-CG 3.29Å; R42-N113 PolarHBondContact NH2-ND2 2.94Å; R42-N113 VanDerWaalsContact NH2-ND2 3.14Å; R42-N113 PolarHBondContact NH2-OD1 2.73Å; R42-F116 HydrophobicContact CB-CB 4.14Å; R42-F116 HydrophobicContact CG-CB 3.63Å; R42-E117 WeakPolarHBondContact CD-OE2 3.29Å; R42-E117 IonicContact CZ-OE2 3.52Å; R42-E117 IonicContact NE-OE2 2.99Å; R42-E117 PolarHBondContact NE-OE2 3.44Å; R42-E117 IonicContact NH1-OE1 2.6Å; R42-E117 IonicContact NH1-OE2 2.98Å; R42-E117 PolarHBondContact NH1-OE2 3.47Å; R42-E117 IonicContact NH2-OE2 2.65Å; R42-E117 PolarHBondContact NH2-OE2 2.88Å; R42-K120 HydrophobicContact CB-CB 4.34Å
43	S	96.2	Very high	97.1	Very high	24 Å²	24	40.9 Å²	40.9	17%	0.168	20%	0.202	C	C	.	.	H	α-helix	trans	-59.4	-41.8	172.7	-69.4	0	0	0	0	112.3	K39 A40 T46 W47 S82	K39-S43 PolarHBondContact O-N 3.24Å; K39-S43 PolarHBondContact O-OG 3.43Å; A40-S43 PolarHBondContact O-N 2.88Å; S43-T46 PolarHBondContact O-N 3.44Å; S43-W47 PolarHBondContact O-N 3.27Å; S43-S82 WeakPolarHBondContact CB-OG 3.46Å
44	N	96.4	Very high	96.9	Very high	41 Å²	41	43 Å²	43	22%	0.219	21%	0.209	C	C	.	.	H	α-helix	trans	-64.6	-46	174.6	-82	-12.8	0	0	0	112.7	A40 Y41 R42 T46 W47 S48 A79 S82 M86	A40-N44 PolarHBondContact O-N 3.41Å; Y41-N44 PolarHBondContact O-N 2.87Å; R42-N44 VanDerWaalsContact C-N 3.32Å; R42-N44 PolarHBondContact O-N 3.1Å; N44-T46 VanDerWaalsContact C-N 3.34Å; N44-T46 PolarHBondContact O-N 3.13Å; N44-W47 PolarHBondContact O-N 3.33Å; N44-S48 PolarHBondContact O-N 3Å; N44-A79 VanDerWaalsContact OD1-CA 3.23Å; N44-A79 WeakPolarHBondContact OD1-CA 3.47Å; N44-A79 WeakPolarHBondContact OD1-CB 3.23Å; N44-A79 PolarHBondContact OD1-O 3.15Å; N44-S82 WeakPolarHBondContact OD1-CB 3.25Å; N44-M86 PolarHBondContact ND2-SD 3.03Å; N44-M86 VanDerWaalsContact ND2-SD 3.38Å
45	E	96.8	Very high	96.7	Very high	48 Å²	48	44.4 Å²	44.4	22%	0.224	23%	0.225	C	C	.	.	H	α-helix	trans	-62.2	-40.4	175.9	-70.4	-168.4	136.8	0	0	112.7	Y41 R42 W47 S48 T49 K120	Y41-E45 HydrophobicContact CE1-CG 4.21Å; Y41-E45 PolarHBondContact O-N 3.21Å; Y41-E45 PolarHBondContact OH-OE1 2.89Å; Y41-E45 VanDerWaalsContact OH-OE1 3.1Å; R42-E45 VanDerWaalsContact CD-OE2 3.25Å; R42-E45 WeakPolarHBondContact CD-OE2 3.26Å; R42-E45 IonicContact CZ-OE2 2.66Å; R42-E45 IonicContact NE-OE2 3.86Å; R42-E45 IonicContact NH1-OE1 2.6Å; R42-E45 IonicContact NH1-OE2 3.61Å; R42-E45 PolarHBondContact NH1-OE2 3.15Å; R42-E45 PolarHBondContact O-N 3.38Å; E45-W47 VanDerWaalsContact C-N 3.34Å; E45-S48 PolarHBondContact O-N 3.17Å; E45-T49 WeakPolarHBondContact O-CB 3.34Å; E45-T49 PolarHBondContact O-N 3.34Å; E45-T49 PolarHBondContact O-OG1 3.07Å; E45-K120 HydrophobicContact CB-CD 4Å; E45-K120 IonicContact OE2-NZ 3.86Å; E45-K120 PolarHBondContact OE2-NZ 3.39Å
46	T	96.6	Very high	96.7	Very high	2 Å²	2	47.6 Å²	47.6	1%	0.012	24%	0.24	C	C	.	.	H	α-helix	trans	-57.4	-49.6	175.3	-67	0	0	0	0	110	R42 S43 N44 T49 I50 F75 K120 D123 I124	R42-T46 WeakPolarHBondContact O-CB 3.42Å; R42-T46 PolarHBondContact O-N 3.33Å; R42-T46 PolarHBondContact O-OG1 3.15Å; S43-T46 PolarHBondContact O-N 3.44Å; N44-T46 VanDerWaalsContact C-N 3.34Å; N44-T46 PolarHBondContact O-N 3.13Å; T46-T49 PolarHBondContact O-N 3.29Å; T46-I50 HydrophobicContact CG2-CD1 3.71Å; T46-I50 HydrophobicContact CG2-CG1 4.43Å; T46-I50 VanDerWaalsContact O-CG1 3.26Å; T46-I50 WeakPolarHBondContact O-CG1 3.06Å; T46-I50 PolarHBondContact O-N 3.38Å; T46-F75 HydrophobicContact CG2-CD1 3.91Å; T46-F75 HydrophobicContact CG2-CE1 4.09Å; T46-F75 HydrophobicContact CG2-CG 4.45Å; T46-K120 WeakPolarHBondContact OG1-CB 3.32Å; T46-K120 VanDerWaalsContact OG1-CG 3.3Å; T46-K120 WeakPolarHBondContact OG1-CG 3.47Å; T46-D123 HydrophobicContact CG2-CB 3.94Å; T46-I124 HydrophobicContact CG2-CG1 4.35Å
47	W	96.6	Very high	96.6	Very high	33 Å²	33	46.1 Å²	46.1	13%	0.125	23%	0.233	C	C	.	.	H	α-helix	trans	-62.1	-47.2	179.7	177.8	-123.8	0	0	0	112.6	S43 N44 E45 T49 I50 Q51 E72 F75 K76 A79	S43-W47 PolarHBondContact O-N 3.27Å; N44-W47 PolarHBondContact O-N 3.33Å; E45-W47 VanDerWaalsContact C-N 3.34Å; W47-T49 VanDerWaalsContact C-N 3.27Å; W47-T49 PolarHBondContact O-N 3.08Å; W47-I50 HydrophobicContact CE3-CB 4.21Å; W47-I50 HydrophobicContact CE3-CD1 4.46Å; W47-I50 HydrophobicContact CE3-CG2 4.12Å; W47-I50 HydrophobicContact CZ3-CB 4.46Å; W47-I50 HydrophobicContact CZ3-CG2 3.87Å; W47-I50 WeakPolarHBondContact O-CB 3.5Å; W47-I50 PolarHBondContact O-N 2.77Å; W47-I50 VanDerWaalsContact O-N 3.12Å; W47-Q51 HydrophobicContact CD2-CG 4.08Å; W47-Q51 VanDerWaalsContact CE2-CD 3.49Å; W47-Q51 HydrophobicContact CE3-CG 4.43Å; W47-Q51 HydrophobicContact CH2-CG 4.07Å; W47-Q51 HydrophobicContact CZ2-CG 3.68Å; W47-Q51 HydrophobicContact CZ3-CG 4.42Å; W47-Q51 WeakPolarHBondContact O-CG 3.43Å; W47-Q51 PolarHBondContact O-N 2.98Å; W47-E72 HydrophobicContact CH2-CG 3.88Å; W47-E72 WeakPolarHBondContact CH2-OE1 3.46Å; W47-E72 HydrophobicContact CZ3-CG 3.53Å; W47-F75 HydrophobicContact CE3-CB 4.06Å; W47-K76 HydrophobicContact CD2-CB 4.24Å; W47-K76 HydrophobicContact CE3-CB 4.25Å; W47-K76 HydrophobicContact CH2-CB 3.87Å; W47-K76 HydrophobicContact CH2-CD 4.49Å; W47-K76 HydrophobicContact CH2-CG 4.29Å; W47-K76 HydrophobicContact CZ2-CB 3.83Å; W47-K76 HydrophobicContact CZ2-CD 4.11Å; W47-K76 HydrophobicContact CZ2-CG 3.79Å; W47-K76 HydrophobicContact CZ3-CB 4.08Å; W47-A79 HydrophobicContact CB-CB 3.54Å; W47-A79 HydrophobicContact CG-CB 3.75Å
48	S	96.6	Very high	96.4	Very high	59 Å²	59	48.5 Å²	48.5	41%	0.413	25%	0.246	S	C	.	.	H	α-helix	trans	-55.9	-44.4	175	-171.8	0	0	0	0	111.4	N44 E45 I50 Q51 D52	N44-S48 PolarHBondContact O-N 3Å; E45-S48 PolarHBondContact O-N 3.17Å; S48-I50 VanDerWaalsContact C-N 3.34Å; S48-I50 PolarHBondContact O-N 3.14Å; S48-Q51 PolarHBondContact O-N 3.17Å; S48-D52 PolarHBondContact O-N 3.46Å
49	T	97.1	Very high	96.4	Very high	43 Å²	43	56 Å²	56	26%	0.264	28%	0.278	S	S	.	.	H	α-helix	trans	-65.5	-37.9	179.5	-54.1	0	0	0	0	112	E45 T46 W47 D52 L53 I124	E45-T49 WeakPolarHBondContact O-CB 3.34Å; E45-T49 PolarHBondContact O-N 3.34Å; E45-T49 PolarHBondContact O-OG1 3.07Å; T46-T49 PolarHBondContact O-N 3.29Å; W47-T49 VanDerWaalsContact C-N 3.27Å; W47-T49 PolarHBondContact O-N 3.08Å; T49-D52 PolarHBondContact O-N 3.42Å; T49-L53 HydrophobicContact CG2-CD1 4.05Å; T49-L53 HydrophobicContact CG2-CG 4.4Å; T49-L53 WeakPolarHBondContact O-CB 3.41Å; T49-L53 VanDerWaalsContact O-CG 3.25Å; T49-L53 WeakPolarHBondContact O-CG 3.31Å; T49-L53 PolarHBondContact O-N 3.07Å; T49-I124 HydrophobicContact CG2-CD1 3.71Å; T49-I124 HydrophobicContact CG2-CG1 4.09Å; T49-I124 HydrophobicContact CG2-CG2 4.32Å
50	I	95.3	Very high	96.3	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-62.8	-44.1	175.5	-71.7	164.7	0	0	0	110.5	T46 W47 S48 L53 R54 E72 F75 I127	T46-I50 HydrophobicContact CG2-CD1 3.71Å; T46-I50 HydrophobicContact CG2-CG1 4.43Å; T46-I50 VanDerWaalsContact O-CG1 3.26Å; T46-I50 WeakPolarHBondContact O-CG1 3.06Å; T46-I50 PolarHBondContact O-N 3.38Å; W47-I50 HydrophobicContact CE3-CB 4.21Å; W47-I50 HydrophobicContact CE3-CD1 4.46Å; W47-I50 HydrophobicContact CE3-CG2 4.12Å; W47-I50 HydrophobicContact CZ3-CB 4.46Å; W47-I50 HydrophobicContact CZ3-CG2 3.87Å; W47-I50 WeakPolarHBondContact O-CB 3.5Å; W47-I50 PolarHBondContact O-N 2.77Å; W47-I50 VanDerWaalsContact O-N 3.12Å; S48-I50 VanDerWaalsContact C-N 3.34Å; S48-I50 PolarHBondContact O-N 3.14Å; I50-L53 PolarHBondContact O-N 2.86Å; I50-R54 WeakPolarHBondContact O-CB 3.4Å; I50-R54 PolarHBondContact O-N 3.38Å; I50-E72 HydrophobicContact CG2-CG 4.31Å; I50-F75 HydrophobicContact CD1-CB 3.78Å; I50-F75 HydrophobicContact CD1-CD1 4.32Å; I50-F75 HydrophobicContact CD1-CD2 3.48Å; I50-F75 VanDerWaalsContact CD1-CD2 3.48Å; I50-F75 HydrophobicContact CD1-CE2 4.12Å; I50-F75 HydrophobicContact CD1-CG 3.6Å; I50-I127 HydrophobicContact CD1-CD1 4.47Å; I50-I127 HydrophobicContact CD1-CG1 3.79Å; I50-I127 HydrophobicContact CG1-CB 4.23Å; I50-I127 HydrophobicContact CG1-CG1 3.98Å; I50-I127 HydrophobicContact CG1-CG2 4.07Å; I50-I127 HydrophobicContact CG2-CG2 4.07Å
51	Q	95.4	Very high	96.2	Very high	80 Å²	80	58.8 Å²	58.8	37%	0.374	29%	0.292	S	S	.	.	H	α-helix	trans	-61.8	-44.7	177.5	-66.5	179.1	-71.6	0	0	111.4	W47 S48 R54 G55	W47-Q51 HydrophobicContact CD2-CG 4.08Å; W47-Q51 VanDerWaalsContact CE2-CD 3.49Å; W47-Q51 HydrophobicContact CE3-CG 4.43Å; W47-Q51 HydrophobicContact CH2-CG 4.07Å; W47-Q51 HydrophobicContact CZ2-CG 3.68Å; W47-Q51 HydrophobicContact CZ3-CG 4.42Å; W47-Q51 WeakPolarHBondContact O-CG 3.43Å; W47-Q51 PolarHBondContact O-N 2.98Å; S48-Q51 PolarHBondContact O-N 3.17Å; Q51-R54 PolarHBondContact O-N 2.04Å; Q51-G55 PolarHBondContact O-N 3.22Å
52	D	96.9	Very high	96	Very high	98 Å²	98	59.7 Å²	59.7	52%	0.524	31%	0.307	S	S	.	.	H	α-helix	trans	-62.9	-43.4	176.5	-71.3	-21.5	0	0	0	111.9	S48 T49 G55 N56	S48-D52 PolarHBondContact O-N 3.46Å; T49-D52 PolarHBondContact O-N 3.42Å; D52-G55 PolarHBondContact O-N 3.36Å; D52-N56 WeakPolarHBondContact O-CB 3.38Å; D52-N56 VanDerWaalsContact O-CG 3.25Å; D52-N56 PolarHBondContact O-N 3.08Å; D52-N56 PolarHBondContact O-ND2 3.41Å
53	L	95.3	Very high	95.7	Very high	27 Å²	27	65.9 Å²	65.9	14%	0.141	34%	0.343	C	S	.	.	H	α-helix	trans	-61.1	-45.3	176.2	-77.9	167.8	0	0	0	111.7	T49 I50 N56 Y57 I124 K128 F131	T49-L53 HydrophobicContact CG2-CD1 4.05Å; T49-L53 HydrophobicContact CG2-CG 4.4Å; T49-L53 WeakPolarHBondContact O-CB 3.41Å; T49-L53 VanDerWaalsContact O-CG 3.25Å; T49-L53 WeakPolarHBondContact O-CG 3.31Å; T49-L53 PolarHBondContact O-N 3.07Å; I50-L53 PolarHBondContact O-N 2.86Å; L53-N56 PolarHBondContact O-N 3.25Å; L53-Y57 WeakPolarHBondContact O-CD2 3.19Å; L53-Y57 PolarHBondContact O-N 2.98Å; L53-I124 HydrophobicContact CD1-CG2 3.81Å; L53-K128 HydrophobicContact CD1-CD 4.39Å; L53-K128 HydrophobicContact CD1-CG 3.81Å; L53-K128 HydrophobicContact CD2-CG 4.3Å; L53-F131 HydrophobicContact CB-CE2 4.49Å
54	R	94.2	Very high	95.6	Very high	56 Å²	56	65.6 Å²	65.6	21%	0.211	34%	0.34	C	S	.	.	H	α-helix	trans	-59.6	-52.5	176.2	177.8	178.8	56.5	-165.9	-15.7	110.7	I50 Q51 N56 Y57 E58 F66 E72 F131	I50-R54 WeakPolarHBondContact O-CB 3.4Å; I50-R54 PolarHBondContact O-N 3.38Å; Q51-R54 PolarHBondContact O-N 2.04Å; R54-N56 VanDerWaalsContact C-N 3.26Å; R54-N56 PolarHBondContact O-N 3Å; R54-Y57 PolarHBondContact O-N 2.92Å; R54-Y57 VanDerWaalsContact O-N 3.07Å; R54-E58 WeakPolarHBondContact CD-OE1 3.28Å; R54-E58 HydrophobicContact CG-CG 4.11Å; R54-E58 VanDerWaalsContact CG-OE1 3.31Å; R54-E58 WeakPolarHBondContact CG-OE1 3.16Å; R54-E58 WeakPolarHBondContact O-CB 3.21Å; R54-E58 WeakPolarHBondContact O-CG 3.48Å; R54-E58 PolarHBondContact O-N 3.28Å; R54-F66 HydrophobicContact CG-CB 4.37Å; R54-E72 IonicContact CZ-OE1 3.98Å; R54-E72 IonicContact NH1-OE1 3.38Å; R54-E72 PolarHBondContact NH1-OE1 2.94Å; R54-E72 IonicContact NH1-OE2 2.85Å; R54-E72 IonicContact NH2-OE1 3.63Å; R54-F131 HydrophobicContact CB-CE2 3.87Å; R54-F131 HydrophobicContact CB-CZ 4.02Å; R54-F131 HydrophobicContact CG-CZ 4.47Å
55	G	95.2	Very high	95.2	Very high	35 Å²	35	68.3 Å²	68.3	36%	0.361	35%	0.354	S	S	.	.	H	α-helix	trans	-59.1	-38.3	-179.5	0	0	0	0	0	112.6	Q51 D52 K59	Q51-G55 PolarHBondContact O-N 3.22Å; D52-G55 PolarHBondContact O-N 3.36Å; G55-K59 WeakPolarHBondContact O-CB 3.23Å; G55-K59 PolarHBondContact O-N 2.64Å; G55-K59 VanDerWaalsContact O-N 3.14Å
56	N	97.1	Very high	94.8	Very high	90 Å²	90	66.3 Å²	66.3	48%	0.481	35%	0.345	S	S	.	.	H	α-helix	trans	-66.2	-39.4	175.2	-76.7	-38.8	0	0	0	113.1	D52 L53 R54 Q60	D52-N56 WeakPolarHBondContact O-CB 3.38Å; D52-N56 VanDerWaalsContact O-CG 3.25Å; D52-N56 PolarHBondContact O-N 3.08Å; D52-N56 PolarHBondContact O-ND2 3.41Å; L53-N56 PolarHBondContact O-N 3.25Å; R54-N56 VanDerWaalsContact C-N 3.26Å; R54-N56 PolarHBondContact O-N 3Å; N56-Q60 WeakPolarHBondContact O-CG 3.34Å; N56-Q60 PolarHBondContact O-N 3.34Å; N56-Q60 PolarHBondContact O-NE2 3.34Å; N56-Q60 VanDerWaalsContact O-NE2 3.14Å
57	Y	96.2	Very high	94.3	Very high	36 Å²	36	71.5 Å²	71.5	14%	0.141	37%	0.372	C	S	.	.	H	α-helix	trans	-77	-38.2	178.4	-72.7	-39.3	0	0	0	113.1	L53 R54 K59 Q60 F61 F131 L132 I135	L53-Y57 WeakPolarHBondContact O-CD2 3.19Å; L53-Y57 PolarHBondContact O-N 2.98Å; R54-Y57 PolarHBondContact O-N 2.92Å; R54-Y57 VanDerWaalsContact O-N 3.07Å; Y57-K59 VanDerWaalsContact C-N 3.26Å; Y57-K59 PolarHBondContact O-N 3Å; Y57-Q60 PolarHBondContact O-N 3.1Å; Y57-Q60 VanDerWaalsContact O-N 3.15Å; Y57-F61 HydrophobicContact CD1-CD2 4.39Å; Y57-F61 HydrophobicContact CD1-CE2 4.22Å; Y57-F61 PolarHBondContact O-N 3.13Å; Y57-F131 HydrophobicContact CD2-CB 3.76Å; Y57-F131 AromaticContact CD2-CD2 3.74Å; Y57-F131 HydrophobicContact CD2-CD2 3.74Å; Y57-F131 HydrophobicContact CD2-CG 4.18Å; Y57-F131 HydrophobicContact CE2-CB 3.87Å; Y57-F131 HydrophobicContact CE2-CD2 4.07Å; Y57-L132 HydrophobicContact CE1-CD2 4.38Å; Y57-I135 HydrophobicContact CD1-CD1 3.96Å; Y57-I135 HydrophobicContact CD2-CD1 4.46Å; Y57-I135 HydrophobicContact CE1-CD1 4.37Å; Y57-I135 HydrophobicContact CG-CD1 4.02Å
58	E	95	Very high	93.4	Very high	84 Å²	84	72.7 Å²	72.7	39%	0.393	39%	0.386	S	S	.	.	H	α-helix	trans	-57.8	-41	172.5	-76.6	173.4	169	0	0	111.2	R54 F61 P62 F66	R54-E58 WeakPolarHBondContact CD-OE1 3.28Å; R54-E58 HydrophobicContact CG-CG 4.11Å; R54-E58 VanDerWaalsContact CG-OE1 3.31Å; R54-E58 WeakPolarHBondContact CG-OE1 3.16Å; R54-E58 WeakPolarHBondContact O-CB 3.21Å; R54-E58 WeakPolarHBondContact O-CG 3.48Å; R54-E58 PolarHBondContact O-N 3.28Å; E58-F61 CarbonylContact O-C 3.39Å; E58-P62 VanDerWaalsContact O-CA 3.32Å; E58-P62 WeakPolarHBondContact O-CA 3.31Å; E58-F66 HydrophobicContact CB-CD2 4.4Å; E58-F66 HydrophobicContact CG-CB 4.27Å; E58-F66 HydrophobicContact CG-CD2 3.47Å; E58-F66 VanDerWaalsContact CG-CD2 3.47Å; E58-F66 HydrophobicContact CG-CE2 4.09Å; E58-F66 HydrophobicContact CG-CG 4.13Å
59	K	96.8	Very high	93	Very high	180 Å²	180	70.9 Å²	70.9	78%	0.783	37%	0.373	S	S	*	.	H	α-helix	trans	-65.5	-38.8	175.7	-175.4	178	178.9	-179.4	0	113.2	G55 Y57	G55-K59 WeakPolarHBondContact O-CB 3.23Å; G55-K59 PolarHBondContact O-N 2.64Å; G55-K59 VanDerWaalsContact O-N 3.14Å; Y57-K59 VanDerWaalsContact C-N 3.26Å; Y57-K59 PolarHBondContact O-N 3Å
60	Q	96.5	Very high	92.5	Very high	122 Å²	122	76.8 Å²	76.8	57%	0.57	40%	0.4	S	S	*	.	H	α-helix	trans	-80.6	-29.9	-178.1	-75.1	176.2	72.4	0	0	112.9	N56 Y57	N56-Q60 WeakPolarHBondContact O-CG 3.34Å; N56-Q60 PolarHBondContact O-N 3.34Å; N56-Q60 PolarHBondContact O-NE2 3.34Å; N56-Q60 VanDerWaalsContact O-NE2 3.14Å; Y57-Q60 PolarHBondContact O-N 3.1Å; Y57-Q60 VanDerWaalsContact O-N 3.15Å
61	F	95.2	Very high	92.2	Very high	66 Å²	66	79.1 Å²	79.1	29%	0.289	41%	0.412	S	S	.	.			trans	-132.9	68	-174.6	-54.2	-77.6	0	0	0	109.9	Y57 E58 D63 V64 F66 I135	Y57-F61 HydrophobicContact CD1-CD2 4.39Å; Y57-F61 HydrophobicContact CD1-CE2 4.22Å; Y57-F61 PolarHBondContact O-N 3.13Å; E58-F61 CarbonylContact O-C 3.39Å; F61-D63 PolarHBondContact O-N 3.39Å; F61-D63 VanDerWaalsContact O-N 3.15Å; F61-V64 HydrophobicContact CB-CB 4.02Å; F61-V64 HydrophobicContact CB-CG2 3.59Å; F61-V64 HydrophobicContact CG-CG2 4.46Å; F61-V64 WeakPolarHBondContact O-CB 3.38Å; F61-V64 PolarHBondContact O-N 2.86Å; F61-F66 HydrophobicContact CB-CE2 4.43Å; F61-F66 HydrophobicContact CB-CZ 4.36Å; F61-I135 HydrophobicContact CB-CG1 4.42Å; F61-I135 HydrophobicContact CD1-CG2 3.9Å; F61-I135 HydrophobicContact CD2-CD1 3.55Å; F61-I135 HydrophobicContact CD2-CG1 3.87Å; F61-I135 HydrophobicContact CD2-CG2 4.19Å; F61-I135 HydrophobicContact CE1-CG2 3.84Å; F61-I135 HydrophobicContact CE2-CD1 3.71Å; F61-I135 HydrophobicContact CE2-CG1 4.33Å; F61-I135 HydrophobicContact CE2-CG2 4.15Å; F61-I135 HydrophobicContact CG-CD1 4.3Å; F61-I135 HydrophobicContact CG-CG1 4.11Å; F61-I135 HydrophobicContact CG-CG2 4.07Å; F61-I135 HydrophobicContact CZ-CG2 3.98Å
62	P	93.6	Very high	91.8	Very high	100 Å²	100	75.5 Å²	75.5	65%	0.649	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-23.5	-172.8	26	-35.8	0	0	0	113.7	E58 V64	E58-P62 VanDerWaalsContact O-CA 3.32Å; E58-P62 WeakPolarHBondContact O-CA 3.31Å; P62-V64 VanDerWaalsContact C-N 3.28Å
63	D	91.7	Very high	91.7	Very high	160 Å²	160	75.7 Å²	75.7	86%	0.856	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.2	-5.2	177.5	-57.2	-45.8	0	0	0	113.1	F61	F61-D63 PolarHBondContact O-N 3.39Å; F61-D63 VanDerWaalsContact O-N 3.15Å
64	V	92.6	Very high	91.6	Very high	17 Å²	17	78.5 Å²	78.5	10%	0.103	41%	0.405	C	S	.	.	S	Bend	trans	-89.5	125.3	177.5	178.7	0	0	0	0	109.1	F61 P62 F66 K134 I135 A138	F61-V64 HydrophobicContact CB-CB 4.02Å; F61-V64 HydrophobicContact CB-CG2 3.59Å; F61-V64 HydrophobicContact CG-CG2 4.46Å; F61-V64 WeakPolarHBondContact O-CB 3.38Å; F61-V64 PolarHBondContact O-N 2.86Å; P62-V64 VanDerWaalsContact C-N 3.28Å; V64-F66 HydrophobicContact CB-CD2 4.22Å; V64-F66 HydrophobicContact CB-CE2 3.53Å; V64-F66 HydrophobicContact CB-CZ 3.72Å; V64-F66 HydrophobicContact CG1-CD1 4.28Å; V64-F66 HydrophobicContact CG1-CD2 4.05Å; V64-F66 HydrophobicContact CG1-CE1 3.81Å; V64-F66 HydrophobicContact CG1-CE2 3.59Å; V64-F66 HydrophobicContact CG1-CG 4.38Å; V64-F66 HydrophobicContact CG1-CZ 3.44Å; V64-F66 VanDerWaalsContact CG1-CZ 3.44Å; V64-F66 WeakPolarHBondContact O-CD2 3.48Å; V64-F66 WeakPolarHBondContact O-CE2 3.07Å; V64-F66 PolarHBondContact O-N 2.96Å; V64-K134 HydrophobicContact CG1-CB 4.03Å; V64-I135 HydrophobicContact CG1-CG1 4.15Å; V64-I135 HydrophobicContact CG2-CG1 4.23Å; V64-A138 HydrophobicContact CG2-CB 3.61Å
65	N	89.4	Confident	91.6	Very high	99 Å²	99	76.4 Å²	76.4	53%	0.529	40%	0.398	S	S	.	.			trans	-81	108.8	173.9	-177.1	-2.4	0	0	0	110.7	N67	N65-N67 VanDerWaalsContact C-N 3.34Å; N65-N67 PolarHBondContact ND2-ND2 3.33Å; N65-N67 WeakPolarHBondContact OD1-CB 3.17Å; N65-N67 PolarHBondContact OD1-N 2.71Å; N65-N67 PolarHBondContact OD1-ND2 2.8Å; N65-N67 PolarHBondContact OD1-OD1 3.34Å
66	F	88.3	Confident	91.6	Very high	6 Å²	6	79.3 Å²	79.3	3%	0.026	40%	0.4	C	S	.	.			trans	-94.6	31.5	175.2	-61.6	-85.3	0	0	0	113.4	R54 E58 F61 V64 S68 F131 I135	R54-F66 HydrophobicContact CG-CB 4.37Å; E58-F66 HydrophobicContact CB-CD2 4.4Å; E58-F66 HydrophobicContact CG-CB 4.27Å; E58-F66 HydrophobicContact CG-CD2 3.47Å; E58-F66 VanDerWaalsContact CG-CD2 3.47Å; E58-F66 HydrophobicContact CG-CE2 4.09Å; E58-F66 HydrophobicContact CG-CG 4.13Å; F61-F66 HydrophobicContact CB-CE2 4.43Å; F61-F66 HydrophobicContact CB-CZ 4.36Å; V64-F66 HydrophobicContact CB-CD2 4.22Å; V64-F66 HydrophobicContact CB-CE2 3.53Å; V64-F66 HydrophobicContact CB-CZ 3.72Å; V64-F66 HydrophobicContact CG1-CD1 4.28Å; V64-F66 HydrophobicContact CG1-CD2 4.05Å; V64-F66 HydrophobicContact CG1-CE1 3.81Å; V64-F66 HydrophobicContact CG1-CE2 3.59Å; V64-F66 HydrophobicContact CG1-CG 4.38Å; V64-F66 HydrophobicContact CG1-CZ 3.44Å; V64-F66 VanDerWaalsContact CG1-CZ 3.44Å; V64-F66 WeakPolarHBondContact O-CD2 3.48Å; V64-F66 WeakPolarHBondContact O-CE2 3.07Å; V64-F66 PolarHBondContact O-N 2.96Å; F66-S68 PolarHBondContact O-N 3.25Å; F66-F131 HydrophobicContact CD1-CB 4.26Å; F66-F131 AromaticContact CD1-CD1 3.95Å; F66-F131 HydrophobicContact CD1-CD1 3.95Å; F66-F131 HydrophobicContact CD1-CE1 4.49Å; F66-F131 HydrophobicContact CD1-CG 4.11Å; F66-F131 HydrophobicContact CE1-CB 4.07Å; F66-F131 HydrophobicContact CE1-CG 4.39Å; F66-I135 HydrophobicContact CE1-CD1 3.98Å; F66-I135 HydrophobicContact CE1-CG1 3.83Å; F66-I135 HydrophobicContact CZ-CD1 3.88Å; F66-I135 HydrophobicContact CZ-CG1 3.61Å
67	N	84.5	Confident	91.5	Very high	110 Å²	110	80.4 Å²	80.4	59%	0.588	40%	0.403	S	S	*	.			trans	-42.1	137.4	175.4	-84.6	-10.8	0	0	0	112.5	N65 S69 K134	N65-N67 VanDerWaalsContact C-N 3.34Å; N65-N67 PolarHBondContact ND2-ND2 3.33Å; N65-N67 WeakPolarHBondContact OD1-CB 3.17Å; N65-N67 PolarHBondContact OD1-N 2.71Å; N65-N67 PolarHBondContact OD1-ND2 2.8Å; N65-N67 PolarHBondContact OD1-OD1 3.34Å; N67-S69 PolarHBondContact O-N 2.64Å; N67-K134 PolarHBondContact O-NZ 3.36Å
68	S	79.4	Confident	91.4	Very high	59 Å²	59	81 Å²	81	41%	0.413	41%	0.408	S	S	.	.			trans	-51.3	127.1	-179.8	-170.2	0	0	0	0	110.2	F66	F66-S68 PolarHBondContact O-N 3.25Å
69	S	86.7	Confident	91.4	Very high	20 Å²	20	77.2 Å²	77.2	14%	0.14	39%	0.391	C	S	.	.			trans	-91.9	161.7	171.6	67.1	0	0	0	0	110.1	N67 L71 E72 E73 E130	N67-S69 PolarHBondContact O-N 2.64Å; S69-L71 PolarHBondContact O-N 3.28Å; S69-L71 VanDerWaalsContact O-N 3.13Å; S69-L71 PolarHBondContact OG-N 3.43Å; S69-E72 WeakPolarHBondContact O-CB 3.17Å; S69-E72 PolarHBondContact O-N 3.35Å; S69-E72 PolarHBondContact OG-N 2.9Å; S69-E73 PolarHBondContact O-N 2.85Å; S69-E130 WeakPolarHBondContact CB-OE1 3.47Å; S69-E130 WeakPolarHBondContact CB-OE2 3.18Å; S69-E130 PolarHBondContact OG-OE1 3Å; S69-E130 PolarHBondContact OG-OE2 3.15Å
70	M	87.1	Confident	91.4	Very high	167 Å²	167	73.9 Å²	73.9	82%	0.823	38%	0.379	S	S	*	.	H	α-helix	trans	-54.6	-30.5	170.5	-174.8	-178	178.8	0	0	111.7	H74	M70-H74 WeakPolarHBondContact O-CB 3.25Å; M70-H74 PolarHBondContact O-N 3.5Å
71	L	88.3	Confident	91.3	Very high	50 Å²	50	73.4 Å²	73.4	26%	0.262	38%	0.379	S	S	.	.	H	α-helix	trans	-70	-40.7	175.7	-178.5	64.5	0	0	0	111.7	S69 H74 F75 L126 I127	S69-L71 PolarHBondContact O-N 3.28Å; S69-L71 VanDerWaalsContact O-N 3.13Å; S69-L71 PolarHBondContact OG-N 3.43Å; L71-H74 WeakPolarHBondContact O-CB 3.4Å; L71-H74 PolarHBondContact O-N 3.19Å; L71-F75 HydrophobicContact CD1-CD2 4.31Å; L71-F75 HydrophobicContact CD1-CE2 3.59Å; L71-F75 HydrophobicContact CD1-CZ 4.1Å; L71-F75 HydrophobicContact CD2-CE2 4.29Å; L71-F75 HydrophobicContact CG-CD2 4.18Å; L71-F75 HydrophobicContact CG-CE2 3.67Å; L71-F75 WeakPolarHBondContact O-CD2 3.46Å; L71-F75 PolarHBondContact O-N 3.1Å; L71-L126 HydrophobicContact CD1-CD2 4.06Å; L71-L126 HydrophobicContact CD2-CD2 3.57Å; L71-L126 HydrophobicContact CD2-CG 3.67Å; L71-L126 HydrophobicContact CG-CD2 4.47Å; L71-I127 HydrophobicContact CB-CD1 4.48Å; L71-I127 HydrophobicContact CD2-CD1 3.68Å; L71-I127 HydrophobicContact CD2-CG1 4.31Å; L71-I127 HydrophobicContact CG-CD1 3.81Å
72	E	88.8	Confident	91.3	Very high	3 Å²	3	70.6 Å²	70.6	1%	0.014	37%	0.368	C	S	.	.	H	α-helix	trans	-65.1	-44	174.6	-168.1	-174.9	152.7	0	0	111.9	W47 I50 R54 S69 H74 F75 K76	W47-E72 HydrophobicContact CH2-CG 3.88Å; W47-E72 WeakPolarHBondContact CH2-OE1 3.46Å; W47-E72 HydrophobicContact CZ3-CG 3.53Å; I50-E72 HydrophobicContact CG2-CG 4.31Å; R54-E72 IonicContact CZ-OE1 3.98Å; R54-E72 IonicContact NH1-OE1 3.38Å; R54-E72 PolarHBondContact NH1-OE1 2.94Å; R54-E72 IonicContact NH1-OE2 2.85Å; R54-E72 IonicContact NH2-OE1 3.63Å; S69-E72 WeakPolarHBondContact O-CB 3.17Å; S69-E72 PolarHBondContact O-N 3.35Å; S69-E72 PolarHBondContact OG-N 2.9Å; E72-H74 VanDerWaalsContact C-N 3.28Å; E72-H74 PolarHBondContact O-N 3.44Å; E72-F75 PolarHBondContact O-N 3.39Å; E72-F75 VanDerWaalsContact O-N 3.15Å; E72-K76 PolarHBondContact O-N 3.17Å
73	E	92.8	Very high	91.2	Very high	103 Å²	103	72.3 Å²	72.3	48%	0.481	37%	0.367	S	S	.	.	H	α-helix	trans	-57.7	-43	175.1	-70	177.7	171.2	0	0	111.2	S69 F75 K76 E77	S69-E73 PolarHBondContact O-N 2.85Å; E73-F75 PolarHBondContact O-N 2.99Å; E73-K76 WeakPolarHBondContact O-CB 3.31Å; E73-K76 PolarHBondContact O-N 3.31Å; E73-E77 WeakPolarHBondContact O-CG 3.45Å; E73-E77 PolarHBondContact O-N 2.98Å
74	H	93.9	Very high	91.3	Very high	86 Å²	86	70.4 Å²	70.4	40%	0.398	36%	0.357	S	S	.	.	H	α-helix	trans	-58.3	-43.6	175.2	177.8	64.5	0	0	0	113	M70 L71 E72 N78	M70-H74 WeakPolarHBondContact O-CB 3.25Å; M70-H74 PolarHBondContact O-N 3.5Å; L71-H74 WeakPolarHBondContact O-CB 3.4Å; L71-H74 PolarHBondContact O-N 3.19Å; E72-H74 VanDerWaalsContact C-N 3.28Å; E72-H74 PolarHBondContact O-N 3.44Å; H74-N78 PolarHBondContact CD2-ND2 3.41Å; H74-N78 PolarHBondContact CE1-ND2 3.39Å; H74-N78 VanDerWaalsContact CE1-ND2 3.26Å; H74-N78 PolarHBondContact NE2-ND2 3.14Å; H74-N78 WeakPolarHBondContact O-CB 3.24Å; H74-N78 VanDerWaalsContact O-CG 3.27Å; H74-N78 PolarHBondContact O-N 3.19Å; H74-N78 PolarHBondContact O-ND2 2.93Å
75	F	94.6	Very high	91.5	Very high	12 Å²	12	71.7 Å²	71.7	5%	0.053	37%	0.365	C	S	.	.	H	α-helix	trans	-68.4	-36.9	178.1	-73.1	-59.2	0	0	0	112.6	T46 W47 I50 L71 E72 E73 N78 A79 D123 I127	T46-F75 HydrophobicContact CG2-CD1 3.91Å; T46-F75 HydrophobicContact CG2-CE1 4.09Å; T46-F75 HydrophobicContact CG2-CG 4.45Å; W47-F75 HydrophobicContact CE3-CB 4.06Å; I50-F75 HydrophobicContact CD1-CB 3.78Å; I50-F75 HydrophobicContact CD1-CD1 4.32Å; I50-F75 HydrophobicContact CD1-CD2 3.48Å; I50-F75 VanDerWaalsContact CD1-CD2 3.48Å; I50-F75 HydrophobicContact CD1-CE2 4.12Å; I50-F75 HydrophobicContact CD1-CG 3.6Å; L71-F75 HydrophobicContact CD1-CD2 4.31Å; L71-F75 HydrophobicContact CD1-CE2 3.59Å; L71-F75 HydrophobicContact CD1-CZ 4.1Å; L71-F75 HydrophobicContact CD2-CE2 4.29Å; L71-F75 HydrophobicContact CG-CD2 4.18Å; L71-F75 HydrophobicContact CG-CE2 3.67Å; L71-F75 WeakPolarHBondContact O-CD2 3.46Å; L71-F75 PolarHBondContact O-N 3.1Å; E72-F75 PolarHBondContact O-N 3.39Å; E72-F75 VanDerWaalsContact O-N 3.15Å; E73-F75 PolarHBondContact O-N 2.99Å; F75-N78 PolarHBondContact O-N 2.93Å; F75-A79 WeakPolarHBondContact O-CB 3.35Å; F75-A79 PolarHBondContact O-N 3.38Å; F75-D123 HydrophobicContact CE1-CB 3.61Å; F75-D123 VanDerWaalsContact CE1-CG 3.5Å; F75-D123 HydrophobicContact CZ-CB 3.53Å; F75-I127 HydrophobicContact CD2-CD1 3.99Å; F75-I127 HydrophobicContact CD2-CG1 3.99Å; F75-I127 HydrophobicContact CE2-CD1 3.95Å; F75-I127 HydrophobicContact CE2-CG1 3.71Å
76	K	94.9	Very high	91.9	Very high	96 Å²	96	69 Å²	69	42%	0.417	35%	0.349	S	S	.	.	H	α-helix	trans	-61.8	-49.8	174	-175.7	-174.9	171.6	-163.9	0	111.5	W47 E72 E73 N78 A79 E80	W47-K76 HydrophobicContact CD2-CB 4.24Å; W47-K76 HydrophobicContact CE3-CB 4.25Å; W47-K76 HydrophobicContact CH2-CB 3.87Å; W47-K76 HydrophobicContact CH2-CD 4.49Å; W47-K76 HydrophobicContact CH2-CG 4.29Å; W47-K76 HydrophobicContact CZ2-CB 3.83Å; W47-K76 HydrophobicContact CZ2-CD 4.11Å; W47-K76 HydrophobicContact CZ2-CG 3.79Å; W47-K76 HydrophobicContact CZ3-CB 4.08Å; E72-K76 PolarHBondContact O-N 3.17Å; E73-K76 WeakPolarHBondContact O-CB 3.31Å; E73-K76 PolarHBondContact O-N 3.31Å; K76-N78 VanDerWaalsContact C-N 3.33Å; K76-N78 PolarHBondContact O-N 3.15Å; K76-A79 PolarHBondContact O-N 3.4Å; K76-A79 VanDerWaalsContact O-N 3.15Å; K76-E80 WeakPolarHBondContact CE-OE1 3.46Å; K76-E80 IonicContact NZ-OE1 2.79Å; K76-E80 WeakPolarHBondContact O-CG 3.31Å; K76-E80 PolarHBondContact O-N 3.47Å
77	E	95.2	Very high	92.1	Very high	113 Å²	113	72.8 Å²	72.8	53%	0.528	38%	0.377	S	S	.	.	H	α-helix	trans	-59.2	-43.4	177.6	-72.7	177	175.8	0	0	111.8	E73 A79 E80 L81	E73-E77 WeakPolarHBondContact O-CG 3.45Å; E73-E77 PolarHBondContact O-N 2.98Å; E77-A79 VanDerWaalsContact C-N 3.3Å; E77-A79 PolarHBondContact O-N 2.84Å; E77-E80 PolarHBondContact O-N 2.77Å; E77-L81 WeakPolarHBondContact O-CG 3.23Å; E77-L81 PolarHBondContact O-N 2.83Å
78	N	94.5	Very high	92.7	Very high	48 Å²	48	73.4 Å²	73.4	26%	0.257	38%	0.376	S	S	.	.	H	α-helix	trans	-61.4	-39.1	176.4	-75.3	-22.6	0	0	0	112.2	H74 F75 K76 S82	H74-N78 PolarHBondContact CD2-ND2 3.41Å; H74-N78 PolarHBondContact CE1-ND2 3.39Å; H74-N78 VanDerWaalsContact CE1-ND2 3.26Å; H74-N78 PolarHBondContact NE2-ND2 3.14Å; H74-N78 WeakPolarHBondContact O-CB 3.24Å; H74-N78 VanDerWaalsContact O-CG 3.27Å; H74-N78 PolarHBondContact O-N 3.19Å; H74-N78 PolarHBondContact O-ND2 2.93Å; F75-N78 PolarHBondContact O-N 2.93Å; K76-N78 VanDerWaalsContact C-N 3.33Å; K76-N78 PolarHBondContact O-N 3.15Å; N78-S82 WeakPolarHBondContact O-CB 3.4Å; N78-S82 PolarHBondContact O-N 3.18Å; N78-S82 VanDerWaalsContact O-N 3.1Å; N78-S82 PolarHBondContact O-OG 2.93Å
79	A	95.6	Very high	93.5	Very high	5 Å²	5	72.9 Å²	72.9	4%	0.041	37%	0.366	C	S	.	.	H	α-helix	trans	-67.7	-44.2	177	0	0	0	0	0	111.8	N44 W47 F75 K76 E77 L81 S82	N44-A79 VanDerWaalsContact OD1-CA 3.23Å; N44-A79 WeakPolarHBondContact OD1-CA 3.47Å; N44-A79 WeakPolarHBondContact OD1-CB 3.23Å; N44-A79 PolarHBondContact OD1-O 3.15Å; W47-A79 HydrophobicContact CB-CB 3.54Å; W47-A79 HydrophobicContact CG-CB 3.75Å; F75-A79 WeakPolarHBondContact O-CB 3.35Å; F75-A79 PolarHBondContact O-N 3.38Å; K76-A79 PolarHBondContact O-N 3.4Å; K76-A79 VanDerWaalsContact O-N 3.15Å; E77-A79 VanDerWaalsContact C-N 3.3Å; E77-A79 PolarHBondContact O-N 2.84Å; A79-L81 VanDerWaalsContact C-N 3.29Å; A79-L81 PolarHBondContact O-N 3.43Å; A79-S82 VanDerWaalsContact O-CB 3.31Å; A79-S82 WeakPolarHBondContact O-CB 3.38Å; A79-S82 PolarHBondContact O-N 3.5Å
80	E	95	Very high	94	Very high	110 Å²	110	73.4 Å²	73.4	51%	0.514	37%	0.369	S	S	.	.	H	α-helix	trans	-58.9	-40.1	176.4	-71.5	176.5	179.5	0	0	112	K76 E77 S82	K76-E80 WeakPolarHBondContact CE-OE1 3.46Å; K76-E80 IonicContact NZ-OE1 2.79Å; K76-E80 WeakPolarHBondContact O-CG 3.31Å; K76-E80 PolarHBondContact O-N 3.47Å; E77-E80 PolarHBondContact O-N 2.77Å; E80-S82 VanDerWaalsContact C-N 3.29Å; E80-S82 PolarHBondContact O-N 3.46Å
81	L	94.9	Very high	94.4	Very high	112 Å²	112	68.6 Å²	68.6	59%	0.586	35%	0.346	S	S	*	.	H	α-helix	trans	-69.8	-26.8	174.6	-67.7	173.9	0	0	0	113	E77 A79 E83 V85	E77-L81 WeakPolarHBondContact O-CG 3.23Å; E77-L81 PolarHBondContact O-N 2.83Å; A79-L81 VanDerWaalsContact C-N 3.29Å; A79-L81 PolarHBondContact O-N 3.43Å; L81-E83 PolarHBondContact O-N 3.45Å; L81-V85 WeakPolarHBondContact O-CG2 3.34Å; L81-V85 PolarHBondContact O-N 3.3Å
82	S	96	Very high	94.8	Very high	7 Å²	7	71.9 Å²	71.9	5%	0.049	36%	0.36	C	S	.	.	H	α-helix	trans	-70.6	-29.9	-173	-70.6	0	0	0	0	113.3	A40 S43 N44 N78 A79 E80 N84 V85 M86	A40-S82 WeakPolarHBondContact CA-OG 3.27Å; A40-S82 VanDerWaalsContact O-CB 3.31Å; A40-S82 WeakPolarHBondContact O-CB 3.45Å; A40-S82 PolarHBondContact O-OG 3.45Å; S43-S82 WeakPolarHBondContact CB-OG 3.46Å; N44-S82 WeakPolarHBondContact OD1-CB 3.25Å; N78-S82 WeakPolarHBondContact O-CB 3.4Å; N78-S82 PolarHBondContact O-N 3.18Å; N78-S82 VanDerWaalsContact O-N 3.1Å; N78-S82 PolarHBondContact O-OG 2.93Å; A79-S82 VanDerWaalsContact O-CB 3.31Å; A79-S82 WeakPolarHBondContact O-CB 3.38Å; A79-S82 PolarHBondContact O-N 3.5Å; E80-S82 VanDerWaalsContact C-N 3.29Å; E80-S82 PolarHBondContact O-N 3.46Å; S82-N84 PolarHBondContact O-N 3.32Å; S82-V85 PolarHBondContact O-N 3.02Å; S82-M86 WeakPolarHBondContact O-CB 3.42Å; S82-M86 VanDerWaalsContact O-CG 3.31Å; S82-M86 WeakPolarHBondContact O-CG 3.45Å; S82-M86 PolarHBondContact O-N 3.28Å
83	E	90.8	Very high	95.2	Very high	136 Å²	136	74.5 Å²	74.5	64%	0.636	37%	0.374	S	S	*	.	H	α-helix	trans	-58.2	-47.5	176.9	-65.8	-174.2	171	0	0	112.1	L81 V85 M86 S87	L81-E83 PolarHBondContact O-N 3.45Å; E83-V85 PolarHBondContact O-N 3.07Å; E83-M86 PolarHBondContact O-N 3.45Å; E83-S87 PolarHBondContact O-N 3.07Å; E83-S87 VanDerWaalsContact O-N 3.13Å
84	N	94.1	Very high	95.4	Very high	119 Å²	119	69.6 Å²	69.6	64%	0.636	35%	0.351	S	S	*	.	H	α-helix	trans	-65.5	-40.6	178	-71.9	-38.2	0	0	0	111.8	S82 S87 Q88	S82-N84 PolarHBondContact O-N 3.32Å; N84-S87 PolarHBondContact O-N 3.34Å; N84-Q88 WeakPolarHBondContact O-CB 3.38Å; N84-Q88 PolarHBondContact O-N 2.93Å
85	V	97.1	Very high	95.5	Very high	44 Å²	44	67.8 Å²	67.8	27%	0.267	34%	0.344	S	S	.	.	H	α-helix	trans	-64.2	-43.6	177.8	175.8	0	0	0	0	110.8	K36 A40 L81 S82 E83 S87 Q88 Y89	K36-V85 HydrophobicContact CB-CG1 4.29Å; A40-V85 HydrophobicContact CB-CB 3.83Å; A40-V85 HydrophobicContact CB-CG1 3.65Å; L81-V85 WeakPolarHBondContact O-CG2 3.34Å; L81-V85 PolarHBondContact O-N 3.3Å; S82-V85 PolarHBondContact O-N 3.02Å; E83-V85 PolarHBondContact O-N 3.07Å; V85-S87 VanDerWaalsContact C-N 3.29Å; V85-S87 PolarHBondContact O-N 2.65Å; V85-Q88 PolarHBondContact O-N 3.24Å; V85-Y89 HydrophobicContact CG1-CD2 3.82Å; V85-Y89 HydrophobicContact CG1-CE2 4.39Å; V85-Y89 WeakPolarHBondContact O-CB 3.32Å; V85-Y89 WeakPolarHBondContact O-CD2 3.49Å; V85-Y89 PolarHBondContact O-N 3.25Å
86	M	96.5	Very high	95.5	Very high	42 Å²	42	75.3 Å²	75.3	21%	0.207	37%	0.373	C	S	.	.	H	α-helix	trans	-63.9	-34.5	178.2	-73.5	176.5	61.5	0	0	112.5	Y37 A40 Y41 N44 S82 E83 Y89 S90	Y37-M86 HydrophobicContact CD2-CG 4.45Å; Y37-M86 HydrophobicContact CE2-CB 4.39Å; Y37-M86 HydrophobicContact CE2-CE 4.22Å; Y37-M86 HydrophobicContact CE2-CG 4.38Å; A40-M86 HydrophobicContact CB-CG 3.68Å; Y41-M86 HydrophobicContact CD2-CE 3.83Å; Y41-M86 HydrophobicContact CD2-SD 4.49Å; N44-M86 PolarHBondContact ND2-SD 3.03Å; N44-M86 VanDerWaalsContact ND2-SD 3.38Å; S82-M86 WeakPolarHBondContact O-CB 3.42Å; S82-M86 VanDerWaalsContact O-CG 3.31Å; S82-M86 WeakPolarHBondContact O-CG 3.45Å; S82-M86 PolarHBondContact O-N 3.28Å; E83-M86 PolarHBondContact O-N 3.45Å; M86-Y89 CarbonylContact O-C 3.47Å; M86-S90 WeakPolarHBondContact O-CA 3.36Å; M86-S90 PolarHBondContact O-N 3.33Å; M86-S90 VanDerWaalsContact O-N 3.08Å
87	S	94.4	Very high	95.6	Very high	87 Å²	87	73.1 Å²	73.1	61%	0.608	37%	0.365	S	S	*	.	H	α-helix	trans	-69.7	-47.6	174.6	-177.2	0	0	0	0	111.7	E83 N84 V85	E83-S87 PolarHBondContact O-N 3.07Å; E83-S87 VanDerWaalsContact O-N 3.13Å; N84-S87 PolarHBondContact O-N 3.34Å; V85-S87 VanDerWaalsContact C-N 3.29Å; V85-S87 PolarHBondContact O-N 2.65Å
88	Q	95.7	Very high	95.5	Very high	122 Å²	122	68.3 Å²	68.3	57%	0.57	34%	0.343	S	S	*	.	H	α-helix	trans	-63.2	-45.2	179.7	-177.7	178.8	0.5	0	0	112	N84 V85 N93	N84-Q88 WeakPolarHBondContact O-CB 3.38Å; N84-Q88 PolarHBondContact O-N 2.93Å; V85-Q88 PolarHBondContact O-N 3.24Å; Q88-N93 PolarHBondContact O-ND2 3.49Å; Q88-N93 VanDerWaalsContact O-ND2 3.07Å
89	Y	97.6	Very high	95.3	Very high	49 Å²	49	70.1 Å²	70.1	19%	0.192	36%	0.357	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.9	40.7	-178	-57.8	-84.9	0	0	0	111.1	C33 K36 Y37 V85 M86 C94	C33-Y89 HydrophobicContact CB-CD1 4.33Å; K36-Y89 HydrophobicContact CB-CD1 4.21Å; K36-Y89 HydrophobicContact CB-CD2 4.01Å; K36-Y89 HydrophobicContact CB-CE2 4.44Å; K36-Y89 HydrophobicContact CB-CG 3.89Å; K36-Y89 HydrophobicContact CD-CD1 3.85Å; K36-Y89 HydrophobicContact CD-CD2 4.07Å; K36-Y89 HydrophobicContact CD-CE1 3.42Å; K36-Y89 VanDerWaalsContact CD-CE1 3.42Å; K36-Y89 HydrophobicContact CD-CE2 3.69Å; K36-Y89 HydrophobicContact CD-CG 4.15Å; K36-Y89 PolarHBondContact NZ-OH 2.91Å; Y37-Y89 VanDerWaalsContact CB-O 3.28Å; Y37-Y89 WeakPolarHBondContact CB-O 3.4Å; Y37-Y89 VanDerWaalsContact CD2-O 3.23Å; Y37-Y89 WeakPolarHBondContact CD2-O 3.42Å; V85-Y89 HydrophobicContact CG1-CD2 3.82Å; V85-Y89 HydrophobicContact CG1-CE2 4.39Å; V85-Y89 WeakPolarHBondContact O-CB 3.32Å; V85-Y89 WeakPolarHBondContact O-CD2 3.49Å; V85-Y89 PolarHBondContact O-N 3.25Å; M86-Y89 CarbonylContact O-C 3.47Å; Y89-C94 PolarHBondContact O-SG 3.41Å
90	S	96.8	Very high	95	Very high	30 Å²	30	74.4 Å²	74.4	21%	0.21	37%	0.373	C	S	.	.			trans	-56.3	152.8	179.8	73.2	0	0	0	0	111.6	M86 E92 N93 C94	M86-S90 WeakPolarHBondContact O-CA 3.36Å; M86-S90 PolarHBondContact O-N 3.33Å; M86-S90 VanDerWaalsContact O-N 3.08Å; S90-E92 PolarHBondContact O-N 3.01Å; S90-N93 PolarHBondContact O-N 3.45Å; S90-N93 WeakPolarHBondContact OG-CB 3.39Å; S90-N93 VanDerWaalsContact OG-CG 3.29Å; S90-N93 PolarHBondContact OG-N 3.21Å; S90-N93 VanDerWaalsContact OG-N 3.15Å; S90-N93 PolarHBondContact OG-ND2 2.94Å; S90-C94 PolarHBondContact O-N 2.95Å; S90-C94 PolarHBondContact O-SG 3.44Å
91	I	95.8	Very high	94.8	Very high	66 Å²	66	73.2 Å²	73.2	34%	0.338	37%	0.367	S	S	.	.	H	α-helix	trans	-51.3	-42.3	175.8	-71.8	170.4	0	0	0	110.7	Y37 N93 C94 D95	Y37-I91 HydrophobicContact CD1-CD1 4.34Å; Y37-I91 HydrophobicContact CD1-CG1 3.88Å; Y37-I91 HydrophobicContact CD2-CG1 4.34Å; Y37-I91 HydrophobicContact CE1-CD1 3.55Å; Y37-I91 HydrophobicContact CE1-CG1 3.55Å; Y37-I91 HydrophobicContact CE2-CD1 4.46Å; Y37-I91 HydrophobicContact CE2-CG1 4.02Å; Y37-I91 HydrophobicContact CG-CG1 4.28Å; I91-N93 PolarHBondContact O-N 3.07Å; I91-C94 PolarHBondContact O-N 2.96Å; I91-D95 WeakPolarHBondContact CG2-OD2 3.31Å; I91-D95 WeakPolarHBondContact O-CB 3.28Å; I91-D95 PolarHBondContact O-N 3Å
92	E	96	Very high	94.6	Very high	120 Å²	120	69 Å²	69	56%	0.561	35%	0.347	S	S	*	.	H	α-helix	trans	-61.9	-43.5	177.7	-172.6	-175.4	175.4	0	0	112.5	S90 C94 D95 R96	S90-E92 PolarHBondContact O-N 3.01Å; E92-C94 VanDerWaalsContact C-N 3.34Å; E92-D95 PolarHBondContact O-N 2.9Å; E92-R96 WeakPolarHBondContact O-CG 3.36Å; E92-R96 PolarHBondContact O-N 3.43Å; E92-R96 IonicContact OE1-CZ 3.72Å; E92-R96 IonicContact OE1-NE 3.85Å; E92-R96 IonicContact OE1-NH2 2.73Å; E92-R96 PolarHBondContact OE1-NH2 3.12Å
93	N	96.6	Very high	94.4	Very high	58 Å²	58	74.9 Å²	74.9	31%	0.31	38%	0.376	S	S	.	.	H	α-helix	trans	-64.7	-40.5	176.5	-74.7	-13.8	0	0	0	111.5	Q88 S90 I91	Q88-N93 PolarHBondContact O-ND2 3.49Å; Q88-N93 VanDerWaalsContact O-ND2 3.07Å; S90-N93 PolarHBondContact O-N 3.45Å; S90-N93 WeakPolarHBondContact OG-CB 3.39Å; S90-N93 VanDerWaalsContact OG-CG 3.29Å; S90-N93 PolarHBondContact OG-N 3.21Å; S90-N93 VanDerWaalsContact OG-N 3.15Å; S90-N93 PolarHBondContact OG-ND2 2.94Å; I91-N93 PolarHBondContact O-N 3.07Å
94	C	97.5	Very high	94.4	Very high	0 Å²	0	71.2 Å²	71.2	0%	0	36%	0.361	C	S	.	.	H	α-helix	trans	-65.8	-46.2	176.7	-56.2	0	0	0	0	111.4	Y30 C33 K34 Y89 S90 I91 E92 R96 L97	Y30-C94 VanDerWaalsContact CD2-O 3.26Å; Y30-C94 WeakPolarHBondContact CD2-O 3.41Å; C33-C94 HydrophobicContact CB-CB 3.77Å; C33-C94 WeakPolarHBondContact CB-SG 3.41Å; C33-C94 WeakPolarHBondContact SG-CA 3.31Å; C33-C94 WeakPolarHBondContact SG-CB 3.37Å; C33-C94 CovalentContact SG-SG 2.04Å; C33-C94 PolarHBondContact SG-SG 3.17Å; K34-C94 HydrophobicContact CD-CB 4.11Å; K34-C94 HydrophobicContact CG-CB 4.15Å; Y89-C94 PolarHBondContact O-SG 3.41Å; S90-C94 PolarHBondContact O-N 2.95Å; S90-C94 PolarHBondContact O-SG 3.44Å; I91-C94 PolarHBondContact O-N 2.96Å; E92-C94 VanDerWaalsContact C-N 3.34Å; C94-R96 PolarHBondContact O-N 3.45Å; C94-L97 VanDerWaalsContact O-CB 3.23Å; C94-L97 WeakPolarHBondContact O-CB 3.23Å; C94-L97 WeakPolarHBondContact O-CG 3.45Å; C94-L97 PolarHBondContact O-N 2.91Å
95	D	95.6	Very high	94.4	Very high	47 Å²	47	65.6 Å²	65.6	25%	0.251	33%	0.331	S	S	.	.	H	α-helix	trans	-62.8	-25.6	-177.1	-72.9	-10	0	0	0	112.5	K34 I91 E92 L97 I98 Q101	K34-D95 WeakPolarHBondContact CE-OD1 3.3Å; K34-D95 IonicContact NZ-OD1 3.05Å; K34-D95 PolarHBondContact NZ-OD1 3.27Å; I91-D95 WeakPolarHBondContact CG2-OD2 3.31Å; I91-D95 WeakPolarHBondContact O-CB 3.28Å; I91-D95 PolarHBondContact O-N 3Å; E92-D95 PolarHBondContact O-N 2.9Å; D95-L97 PolarHBondContact O-N 3.34Å; D95-I98 PolarHBondContact O-N 3.31Å; D95-Q101 PolarHBondContact OD2-NE2 3.24Å
96	R	95.4	Very high	94.3	Very high	171 Å²	171	70.2 Å²	70.2	65%	0.645	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.9	-15.3	172.6	-70.5	168.5	-177	176	-0.3	114.1	E92 C94 I98	E92-R96 WeakPolarHBondContact O-CG 3.36Å; E92-R96 PolarHBondContact O-N 3.43Å; E92-R96 IonicContact OE1-CZ 3.72Å; E92-R96 IonicContact OE1-NE 3.85Å; E92-R96 IonicContact OE1-NH2 2.73Å; E92-R96 PolarHBondContact OE1-NH2 3.12Å; C94-R96 PolarHBondContact O-N 3.45Å; R96-I98 VanDerWaalsContact C-N 3.32Å
97	L	96	Very high	94.1	Very high	50 Å²	50	71.8 Å²	71.8	26%	0.262	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-20.6	179.8	-62.2	170.1	0	0	0	112.3	N26 E29 C33 C94 D95	N26-L97 HydrophobicContact CB-CB 4.5Å; N26-L97 WeakPolarHBondContact CB-O 3.35Å; E29-L97 HydrophobicContact CB-CD1 4.19Å; C33-L97 HydrophobicContact CB-CD1 3.82Å; C94-L97 VanDerWaalsContact O-CB 3.23Å; C94-L97 WeakPolarHBondContact O-CB 3.23Å; C94-L97 WeakPolarHBondContact O-CG 3.45Å; C94-L97 PolarHBondContact O-N 2.91Å; D95-L97 PolarHBondContact O-N 3.34Å
98	I	94	Very high	94.1	Very high	12 Å²	12	67.6 Å²	67.6	6%	0.062	32%	0.323	C	S	.	.	S	Bend	trans	-120.9	147.6	177.7	59.9	171.3	0	0	0	110.6	M24 I27 Y30 D95 R96 V105	M24-I98 HydrophobicContact SD-CB 4.11Å; M24-I98 HydrophobicContact SD-CG2 4.09Å; I27-I98 HydrophobicContact CD1-CG2 4.2Å; Y30-I98 HydrophobicContact CD2-CB 4.41Å; Y30-I98 HydrophobicContact CD2-CD1 3.78Å; Y30-I98 HydrophobicContact CD2-CG1 3.75Å; Y30-I98 HydrophobicContact CD2-CG2 3.88Å; Y30-I98 HydrophobicContact CE1-CD1 4.25Å; Y30-I98 HydrophobicContact CE2-CD1 3.43Å; Y30-I98 VanDerWaalsContact CE2-CD1 3.43Å; Y30-I98 HydrophobicContact CE2-CG1 3.76Å; Y30-I98 HydrophobicContact CG-CD1 4.31Å; Y30-I98 HydrophobicContact CG-CG1 4.48Å; Y30-I98 HydrophobicContact CG-CG2 3.84Å; D95-I98 PolarHBondContact O-N 3.31Å; R96-I98 VanDerWaalsContact C-N 3.32Å; I98-V105 HydrophobicContact CD1-CG1 3.61Å; I98-V105 HydrophobicContact CD1-CG2 4.28Å
99	P	90.5	Very high	94.2	Very high	86 Å²	86	62.8 Å²	62.8	56%	0.558	30%	0.301	S	S	*	.	S	Bend	trans	-77.4	-22.2	-174.5	29.5	-36.2	0	0	0	114.1	G23	G23-P99 WeakPolarHBondContact O-CD 3.37Å; G23-P99 WeakPolarHBondContact O-CG 3.25Å
100	Y	89.2	Confident	94.1	Very high	95 Å²	95	65.3 Å²	65.3	37%	0.373	32%	0.315	S	S	.	.			trans	-159.5	150.5	-178.6	45.9	-96.6	0	0	0	111.6	H20 M24 T102	H20-Y100 AromaticContact CD2-CZ 3.97Å; H20-Y100 PolarHBondContact CD2-OH 2.81Å; M24-Y100 HydrophobicContact CE-CD2 3.77Å; M24-Y100 HydrophobicContact CE-CE2 3.5Å; M24-Y100 WeakPolarHBondContact CE-O 3.41Å; Y100-T102 HydrophobicContact CD2-CG2 3.59Å; Y100-T102 HydrophobicContact CE2-CG2 3.62Å
101	Q	89.2	Confident	94	Very high	84 Å²	84	64.4 Å²	64.4	39%	0.393	31%	0.308	S	S	.	.			trans	-90.7	110.7	172.9	-70.3	-174.7	-4.6	0	0	110.4	D95	D95-Q101 PolarHBondContact OD2-NE2 3.24Å
102	T	91.1	Very high	94.1	Very high	25 Å²	25	61.3 Å²	61.3	15%	0.153	29%	0.291	C	S	.	.			trans	-85.5	169.6	168.2	67.3	0	0	0	0	110.8	M24 Y100 D104 V105 R106	M24-T102 HydrophobicContact CE-CG2 4.01Å; Y100-T102 HydrophobicContact CD2-CG2 3.59Å; Y100-T102 HydrophobicContact CE2-CG2 3.62Å; T102-D104 VanDerWaalsContact C-N 3.26Å; T102-D104 PolarHBondContact O-N 3.34Å; T102-D104 PolarHBondContact OG1-N 2.94Å; T102-V105 PolarHBondContact O-N 3.15Å; T102-V105 WeakPolarHBondContact OG1-CG2 3.47Å; T102-V105 PolarHBondContact OG1-N 3.4Å; T102-R106 PolarHBondContact O-N 3.26Å; T102-R106 VanDerWaalsContact O-N 3.11Å
103	I	92	Very high	94.1	Very high	130 Å²	130	57.5 Å²	57.5	67%	0.667	28%	0.275	S	S	*	.	H	α-helix	trans	-57.9	-43	171.2	-65.9	171.9	0	0	0	110.2	V105 R106 L107	I103-V105 VanDerWaalsContact C-N 3.32Å; I103-V105 PolarHBondContact O-N 3.01Å; I103-R106 PolarHBondContact O-N 2.98Å; I103-R106 VanDerWaalsContact O-N 3.14Å; I103-L107 HydrophobicContact CG2-CD1 4.06Å; I103-L107 HydrophobicContact CG2-CG 4.38Å; I103-L107 WeakPolarHBondContact O-CG 3.26Å; I103-L107 PolarHBondContact O-N 2.97Å
104	D	90.9	Very high	94.1	Very high	59 Å²	59	58.2 Å²	58.2	32%	0.316	28%	0.276	S	S	.	.	H	α-helix	trans	-61.4	-39.7	178.6	-57.4	-42.3	0	0	0	112.4	I16 T102 R106 L107 M108	I16-D104 HydrophobicContact CD1-CB 4Å; I16-D104 HydrophobicContact CG1-CB 3.58Å; T102-D104 VanDerWaalsContact C-N 3.26Å; T102-D104 PolarHBondContact O-N 3.34Å; T102-D104 PolarHBondContact OG1-N 2.94Å; D104-R106 VanDerWaalsContact C-N 3.35Å; D104-L107 PolarHBondContact O-N 3.37Å; D104-M108 WeakPolarHBondContact O-CB 3.49Å; D104-M108 PolarHBondContact O-N 3.31Å
105	V	93.9	Very high	94	Very high	0 Å²	0	60 Å²	60	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-63.4	-42	175.4	169.6	0	0	0	0	110.8	I16 M24 Y30 I98 T102 I103 M108 D109	I16-V105 HydrophobicContact CD1-CG2 3.93Å; I16-V105 HydrophobicContact CG2-CG2 4.46Å; M24-V105 HydrophobicContact CE-CG2 3.79Å; Y30-V105 HydrophobicContact CE1-CG1 3.98Å; Y30-V105 WeakPolarHBondContact OH-CG1 3.38Å; I98-V105 HydrophobicContact CD1-CG1 3.61Å; I98-V105 HydrophobicContact CD1-CG2 4.28Å; T102-V105 PolarHBondContact O-N 3.15Å; T102-V105 WeakPolarHBondContact OG1-CG2 3.47Å; T102-V105 PolarHBondContact OG1-N 3.4Å; I103-V105 VanDerWaalsContact C-N 3.32Å; I103-V105 PolarHBondContact O-N 3.01Å; V105-M108 WeakPolarHBondContact O-CB 3.47Å; V105-M108 PolarHBondContact O-N 3.03Å; V105-D109 PolarHBondContact O-N 3.1Å
106	R	94.6	Very high	94	Very high	142 Å²	142	59.5 Å²	59.5	54%	0.536	28%	0.28	S	S	.	.	H	α-helix	trans	-64.6	-43.6	177.8	-69.5	178.1	178.3	178.7	1.3	112.2	T102 I103 D104 M108 D109 E110	T102-R106 PolarHBondContact O-N 3.26Å; T102-R106 VanDerWaalsContact O-N 3.11Å; I103-R106 PolarHBondContact O-N 2.98Å; I103-R106 VanDerWaalsContact O-N 3.14Å; D104-R106 VanDerWaalsContact C-N 3.35Å; R106-M108 VanDerWaalsContact C-N 3.28Å; R106-M108 PolarHBondContact O-N 3.45Å; R106-D109 WeakPolarHBondContact O-CB 3.36Å; R106-D109 PolarHBondContact O-N 3.05Å; R106-E110 WeakPolarHBondContact O-CG 3.42Å; R106-E110 PolarHBondContact O-N 3.47Å
107	L	93.8	Very high	94	Very high	74 Å²	74	53.7 Å²	53.7	39%	0.387	26%	0.26	S	S	.	.	H	α-helix	trans	-63.2	-36.8	175.1	-69	174.6	0	0	0	111.7	M12 I103 D104 E110 N111	M12-L107 HydrophobicContact SD-CB 4.12Å; I103-L107 HydrophobicContact CG2-CD1 4.06Å; I103-L107 HydrophobicContact CG2-CG 4.38Å; I103-L107 WeakPolarHBondContact O-CG 3.26Å; I103-L107 PolarHBondContact O-N 2.97Å; D104-L107 PolarHBondContact O-N 3.37Å; L107-E110 PolarHBondContact O-N 2.95Å; L107-N111 PolarHBondContact O-N 3.26Å; L107-N111 PolarHBondContact O-ND2 3.46Å
108	M	95	Very high	93.9	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-65.1	-44.9	174.2	-172.6	-178.1	67.5	0	0	111.3	I9 M12 R13 I16 I27 Y30 I31 D104 V105 R106 E110 N111 I112	I9-M108 HydrophobicContact CG2-CG 4.24Å; M12-M108 HydrophobicContact CB-CB 4.21Å; M12-M108 HydrophobicContact CB-CG 4.31Å; M12-M108 VanDerWaalsContact SD-CA 3.59Å; M12-M108 HydrophobicContact SD-CB 4.01Å; R13-M108 HydrophobicContact CB-SD 4.39Å; I16-M108 HydrophobicContact CD1-CB 4.48Å; I16-M108 HydrophobicContact CD1-CE 4.22Å; I16-M108 HydrophobicContact CD1-SD 3.95Å; I27-M108 HydrophobicContact CD1-CE 3.73Å; I27-M108 HydrophobicContact CG1-CE 4.37Å; Y30-M108 HydrophobicContact CD1-CE 3.8Å; Y30-M108 HydrophobicContact CE1-CE 3.68Å; I31-M108 HydrophobicContact CD1-CE 4.07Å; I31-M108 HydrophobicContact CD1-SD 3.58Å; I31-M108 VanDerWaalsContact CD1-SD 3.58Å; I31-M108 HydrophobicContact CG1-CE 3.55Å; I31-M108 HydrophobicContact CG1-SD 3.63Å; D104-M108 WeakPolarHBondContact O-CB 3.49Å; D104-M108 PolarHBondContact O-N 3.31Å; V105-M108 WeakPolarHBondContact O-CB 3.47Å; V105-M108 PolarHBondContact O-N 3.03Å; R106-M108 VanDerWaalsContact C-N 3.28Å; R106-M108 PolarHBondContact O-N 3.45Å; M108-E110 VanDerWaalsContact C-N 3.33Å; M108-E110 PolarHBondContact O-N 3.48Å; M108-N111 PolarHBondContact O-N 3.3Å; M108-N111 VanDerWaalsContact O-N 3.15Å; M108-I112 HydrophobicContact CG-CD1 4.2Å; M108-I112 VanDerWaalsContact O-CG1 3.31Å; M108-I112 WeakPolarHBondContact O-CG1 3.48Å; M108-I112 PolarHBondContact O-N 2.88Å
109	D	96.5	Very high	93.9	Very high	20 Å²	20	52.8 Å²	52.8	11%	0.107	26%	0.261	C	S	.	.	H	α-helix	trans	-57.4	-44.2	174.4	-85.2	21.1	0	0	0	111.9	Y30 K34 V105 R106 N111 I112 N113	Y30-D109 WeakPolarHBondContact CE1-OD1 3.18Å; Y30-D109 VanDerWaalsContact CZ-OD1 3.31Å; Y30-D109 PolarHBondContact OH-OD1 2.73Å; Y30-D109 PolarHBondContact OH-OD2 3.05Å; K34-D109 WeakPolarHBondContact CE-OD2 3.49Å; K34-D109 IonicContact NZ-OD2 3.28Å; K34-D109 PolarHBondContact NZ-OD2 2.92Å; V105-D109 PolarHBondContact O-N 3.1Å; R106-D109 WeakPolarHBondContact O-CB 3.36Å; R106-D109 PolarHBondContact O-N 3.05Å; D109-N111 VanDerWaalsContact C-N 3.34Å; D109-N111 PolarHBondContact O-N 2.94Å; D109-I112 PolarHBondContact O-N 3.05Å; D109-N113 WeakPolarHBondContact O-CB 3.47Å; D109-N113 PolarHBondContact O-N 3.33Å
110	E	95.5	Very high	94.1	Very high	102 Å²	102	50 Å²	50	48%	0.477	24%	0.24	S	C	.	.	H	α-helix	trans	-58.5	-45.6	174.6	-73.2	171.6	-171.9	0	0	111.2	R106 L107 M108 I112 N113 E114	R106-E110 WeakPolarHBondContact O-CG 3.42Å; R106-E110 PolarHBondContact O-N 3.47Å; L107-E110 PolarHBondContact O-N 2.95Å; M108-E110 VanDerWaalsContact C-N 3.33Å; M108-E110 PolarHBondContact O-N 3.48Å; E110-I112 PolarHBondContact O-N 3.45Å; E110-N113 PolarHBondContact O-N 3.16Å; E110-E114 WeakPolarHBondContact O-CB 3.11Å; E110-E114 WeakPolarHBondContact O-CG 3.48Å; E110-E114 PolarHBondContact O-N 3.03Å
111	N	95.9	Very high	94.4	Very high	12 Å²	12	50.5 Å²	50.5	6%	0.064	25%	0.246	C	C	.	.	H	α-helix	trans	-66.4	-36.9	178.4	-83.3	-94.4	0	0	0	112.9	R5 I9 M12 L107 M108 D109 K115	R5-N111 WeakPolarHBondContact CD-OD1 3.38Å; R5-N111 PolarHBondContact NH1-OD1 2.9Å; I9-N111 HydrophobicContact CG1-CB 3.87Å; M12-N111 WeakPolarHBondContact CE-ND2 3.09Å; L107-N111 PolarHBondContact O-N 3.26Å; L107-N111 PolarHBondContact O-ND2 3.46Å; M108-N111 PolarHBondContact O-N 3.3Å; M108-N111 VanDerWaalsContact O-N 3.15Å; D109-N111 VanDerWaalsContact C-N 3.34Å; D109-N111 PolarHBondContact O-N 2.94Å; N111-K115 WeakPolarHBondContact O-CB 3.47Å; N111-K115 PolarHBondContact O-N 3.35Å; N111-K115 VanDerWaalsContact O-N 3.1Å
112	I	97.2	Very high	94.7	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-63.6	-47.3	173	-65.5	166.5	0	0	0	109.6	I9 I31 K34 F38 M108 D109 E110 K115 F116	I9-I112 HydrophobicContact CD1-CB 4.47Å; I9-I112 HydrophobicContact CD1-CG1 3.8Å; I9-I112 HydrophobicContact CG1-CG1 4.04Å; I9-I112 HydrophobicContact CG2-CG1 4.31Å; I31-I112 HydrophobicContact CG1-CD1 4.42Å; I31-I112 HydrophobicContact CG2-CD1 4.16Å; K34-I112 HydrophobicContact CB-CD1 4.18Å; K34-I112 HydrophobicContact CB-CG2 4.49Å; F38-I112 HydrophobicContact CD2-CB 4.39Å; F38-I112 HydrophobicContact CD2-CG2 3.78Å; M108-I112 HydrophobicContact CG-CD1 4.2Å; M108-I112 VanDerWaalsContact O-CG1 3.31Å; M108-I112 WeakPolarHBondContact O-CG1 3.48Å; M108-I112 PolarHBondContact O-N 2.88Å; D109-I112 PolarHBondContact O-N 3.05Å; E110-I112 PolarHBondContact O-N 3.45Å; I112-K115 WeakPolarHBondContact O-CB 3.34Å; I112-K115 PolarHBondContact O-N 3.27Å; I112-F116 HydrophobicContact CG2-CD2 4.39Å; I112-F116 HydrophobicContact CG2-CE2 4.04Å; I112-F116 WeakPolarHBondContact O-CD2 3.35Å
113	N	96.6	Very high	94.9	Very high	41 Å²	41	53 Å²	53	22%	0.219	26%	0.26	C	S	.	.	H	α-helix	trans	-63	-48.9	-179.2	-176.2	27.4	0	0	0	111.9	F38 R42 D109 E110 K115 F116 E117	F38-N113 HydrophobicContact CD1-CB 3.94Å; F38-N113 WeakPolarHBondContact CD1-OD1 3.47Å; F38-N113 HydrophobicContact CD2-CB 4.14Å; F38-N113 HydrophobicContact CE1-CB 3.9Å; F38-N113 HydrophobicContact CE2-CB 4.07Å; F38-N113 HydrophobicContact CG-CB 4.08Å; F38-N113 HydrophobicContact CZ-CB 3.96Å; R42-N113 VanDerWaalsContact CZ-OD1 3.28Å; R42-N113 PolarHBondContact NE-OD1 3.07Å; R42-N113 VanDerWaalsContact NE-OD1 3.07Å; R42-N113 VanDerWaalsContact NH2-CG 3.29Å; R42-N113 PolarHBondContact NH2-ND2 2.94Å; R42-N113 VanDerWaalsContact NH2-ND2 3.14Å; R42-N113 PolarHBondContact NH2-OD1 2.73Å; D109-N113 WeakPolarHBondContact O-CB 3.47Å; D109-N113 PolarHBondContact O-N 3.33Å; E110-N113 PolarHBondContact O-N 3.16Å; N113-K115 VanDerWaalsContact C-N 3.28Å; N113-K115 PolarHBondContact O-N 3.14Å; N113-F116 PolarHBondContact O-N 2.95Å; N113-F116 VanDerWaalsContact O-N 3.08Å; N113-E117 PolarHBondContact O-N 2.98Å
114	E	95.3	Very high	95.1	Very high	72 Å²	72	47.4 Å²	47.4	34%	0.336	23%	0.231	S	C	.	.	H	α-helix	trans	-61.1	-35.5	178.8	-75.8	-175.4	-171.8	0	0	112.9	R5 E110 F116 E117 I118	R5-E114 IonicContact CZ-OE2 2.64Å; R5-E114 IonicContact NE-OE2 3.28Å; R5-E114 PolarHBondContact NE-OE2 3.4Å; R5-E114 IonicContact NH1-OE2 3.88Å; R5-E114 IonicContact NH2-OE2 3.95Å; R5-E114 PolarHBondContact NH2-OE2 3.28Å; E110-E114 WeakPolarHBondContact O-CB 3.11Å; E110-E114 WeakPolarHBondContact O-CG 3.48Å; E110-E114 PolarHBondContact O-N 3.03Å; E114-F116 PolarHBondContact O-N 3.42Å; E114-E117 PolarHBondContact O-N 2.9Å; E114-E117 VanDerWaalsContact O-N 3.15Å; E114-I118 WeakPolarHBondContact O-CG1 3.38Å; E114-I118 PolarHBondContact O-N 3.27Å
115	K	95	Very high	95.4	Very high	39 Å²	39	49 Å²	49	17%	0.17	24%	0.239	C	C	.	.	H	α-helix	trans	-54.1	-40	174.3	175.4	-171.7	172.5	-173.7	0	111.6	F2 R5 V6 I9 N111 I112 N113	F2-K115 HydrophobicContact CD2-CG 3.86Å; F2-K115 HydrophobicContact CE2-CD 4.13Å; F2-K115 HydrophobicContact CE2-CG 3.47Å; F2-K115 VanDerWaalsContact CE2-CG 3.47Å; F2-K115 HydrophobicContact CZ-CD 4.28Å; F2-K115 HydrophobicContact CZ-CG 4.1Å; R5-K115 HydrophobicContact CB-CB 4.29Å; V6-K115 HydrophobicContact CG2-CD 4.42Å; I9-K115 HydrophobicContact CD1-CD 4.25Å; N111-K115 WeakPolarHBondContact O-CB 3.47Å; N111-K115 PolarHBondContact O-N 3.35Å; N111-K115 VanDerWaalsContact O-N 3.1Å; I112-K115 WeakPolarHBondContact O-CB 3.34Å; I112-K115 PolarHBondContact O-N 3.27Å; N113-K115 VanDerWaalsContact C-N 3.28Å; N113-K115 PolarHBondContact O-N 3.14Å
116	F	96.2	Very high	95.4	Very high	35 Å²	35	53 Å²	53	15%	0.154	26%	0.261	C	S	.	.	H	α-helix	trans	-84.9	-26.6	178.5	-64.5	-69.3	0	0	0	112.9	S35 F38 K39 R42 I112 N113 E114 I118 G119 K120	S35-F116 VanDerWaalsContact O-CE2 3.31Å; S35-F116 WeakPolarHBondContact O-CE2 3.42Å; S35-F116 WeakPolarHBondContact O-CZ 3.42Å; F38-F116 HydrophobicContact CB-CD2 3.77Å; F38-F116 HydrophobicContact CB-CE2 4.39Å; K39-F116 HydrophobicContact CB-CD1 3.82Å; K39-F116 HydrophobicContact CB-CE1 3.58Å; K39-F116 HydrophobicContact CB-CE2 4.35Å; K39-F116 HydrophobicContact CB-CG 4.31Å; K39-F116 HydrophobicContact CB-CZ 3.87Å; K39-F116 HydrophobicContact CD-CE1 4.17Å; K39-F116 HydrophobicContact CG-CD1 4.04Å; K39-F116 HydrophobicContact CG-CE1 3.82Å; R42-F116 HydrophobicContact CB-CB 4.14Å; R42-F116 HydrophobicContact CG-CB 3.63Å; I112-F116 HydrophobicContact CG2-CD2 4.39Å; I112-F116 HydrophobicContact CG2-CE2 4.04Å; I112-F116 WeakPolarHBondContact O-CD2 3.35Å; N113-F116 PolarHBondContact O-N 2.95Å; N113-F116 VanDerWaalsContact O-N 3.08Å; E114-F116 PolarHBondContact O-N 3.42Å; F116-I118 VanDerWaalsContact C-N 3.35Å; F116-G119 PolarHBondContact O-N 2.96Å; F116-K120 PolarHBondContact O-N 3.35Å
117	E	95.6	Very high	95.4	Very high	49 Å²	49	46.3 Å²	46.3	23%	0.229	24%	0.235	C	C	.	.	H	α-helix	trans	-61.4	-43.6	170.9	-173.3	64.4	-179.4	0	0	111.4	R42 N113 E114 G119 K120 E121	R42-E117 WeakPolarHBondContact CD-OE2 3.29Å; R42-E117 IonicContact CZ-OE2 3.52Å; R42-E117 IonicContact NE-OE2 2.99Å; R42-E117 PolarHBondContact NE-OE2 3.44Å; R42-E117 IonicContact NH1-OE1 2.6Å; R42-E117 IonicContact NH1-OE2 2.98Å; R42-E117 PolarHBondContact NH1-OE2 3.47Å; R42-E117 IonicContact NH2-OE2 2.65Å; R42-E117 PolarHBondContact NH2-OE2 2.88Å; N113-E117 PolarHBondContact O-N 2.98Å; E114-E117 PolarHBondContact O-N 2.9Å; E114-E117 VanDerWaalsContact O-N 3.15Å; E117-G119 PolarHBondContact O-N 3.41Å; E117-K120 WeakPolarHBondContact O-CB 3.39Å; E117-K120 PolarHBondContact O-N 3.01Å; E117-K120 VanDerWaalsContact O-N 3.17Å; E117-K120 IonicContact OE1-NZ 2.81Å; E117-K120 PolarHBondContact OE1-NZ 2.93Å; E117-K120 IonicContact OE2-NZ 2.82Å; E117-K120 PolarHBondContact OE2-NZ 3.37Å; E117-E121 PolarHBondContact O-N 3.23Å
118	I	94.7	Very high	95.4	Very high	21 Å²	21	46.1 Å²	46.1	11%	0.108	23%	0.232	C	C	.	.	H	α-helix	trans	-57.9	-40.7	174.3	-64.5	159.7	0	0	0	110.9	M1 R5 E114 F116 E121 I122	M1-I118 HydrophobicContact CB-CD1 4.17Å; M1-I118 HydrophobicContact CE-CD1 3.87Å; M1-I118 HydrophobicContact CE-CG1 4.26Å; M1-I118 HydrophobicContact CG-CD1 3.57Å; M1-I118 HydrophobicContact SD-CD1 3.6Å; M1-I118 HydrophobicContact SD-CG1 3.97Å; R5-I118 HydrophobicContact CG-CD1 4.41Å; E114-I118 WeakPolarHBondContact O-CG1 3.38Å; E114-I118 PolarHBondContact O-N 3.27Å; F116-I118 VanDerWaalsContact C-N 3.35Å; I118-E121 PolarHBondContact O-N 2.89Å; I118-I122 HydrophobicContact CG2-CD1 4.03Å; I118-I122 WeakPolarHBondContact O-CG1 3.19Å; I118-I122 PolarHBondContact O-N 3.15Å; I118-I122 VanDerWaalsContact O-N 3.14Å
119	G	92.9	Very high	95.4	Very high	23 Å²	23	52.1 Å²	52.1	24%	0.237	26%	0.259	C	S	.	.	H	α-helix	trans	-61	-49.2	176.3	0	0	0	0	0	111.8	F116 E117 E121 I122 D123	F116-G119 PolarHBondContact O-N 2.96Å; E117-G119 PolarHBondContact O-N 3.41Å; G119-E121 VanDerWaalsContact C-N 3.34Å; G119-E121 PolarHBondContact O-N 2.88Å; G119-I122 PolarHBondContact O-N 3.5Å; G119-D123 VanDerWaalsContact O-CG 3.28Å; G119-D123 PolarHBondContact O-N 3.37Å
120	K	95.3	Very high	95.3	Very high	26 Å²	26	53.1 Å²	53.1	11%	0.113	26%	0.263	C	S	.	.	H	α-helix	trans	-56.3	-44.2	175.1	161.1	177.2	164.5	-146.9	0	112.6	R42 E45 T46 F116 E117 I122 D123 I124	R42-K120 HydrophobicContact CB-CB 4.34Å; E45-K120 HydrophobicContact CB-CD 4Å; E45-K120 IonicContact OE2-NZ 3.86Å; E45-K120 PolarHBondContact OE2-NZ 3.39Å; T46-K120 WeakPolarHBondContact OG1-CB 3.32Å; T46-K120 VanDerWaalsContact OG1-CG 3.3Å; T46-K120 WeakPolarHBondContact OG1-CG 3.47Å; F116-K120 PolarHBondContact O-N 3.35Å; E117-K120 WeakPolarHBondContact O-CB 3.39Å; E117-K120 PolarHBondContact O-N 3.01Å; E117-K120 VanDerWaalsContact O-N 3.17Å; E117-K120 IonicContact OE1-NZ 2.81Å; E117-K120 PolarHBondContact OE1-NZ 2.93Å; E117-K120 IonicContact OE2-NZ 2.82Å; E117-K120 PolarHBondContact OE2-NZ 3.37Å; K120-I122 VanDerWaalsContact C-N 3.33Å; K120-I122 PolarHBondContact O-N 3.21Å; K120-D123 PolarHBondContact O-N 3.4Å; K120-I124 HydrophobicContact CD-CD1 4.35Å; K120-I124 HydrophobicContact CG-CD1 3.56Å; K120-I124 HydrophobicContact CG-CG1 4.41Å; K120-I124 WeakPolarHBondContact O-CB 3.46Å; K120-I124 VanDerWaalsContact O-CG1 3.28Å; K120-I124 WeakPolarHBondContact O-CG1 3.45Å; K120-I124 PolarHBondContact O-N 2.96Å
121	E	95.8	Very high	95.3	Very high	107 Å²	107	48.3 Å²	48.3	50%	0.5	24%	0.241	S	C	.	.	H	α-helix	trans	-60.6	-42.7	177.4	-73	-177	176.8	0	0	112.3	E117 I118 G119 N125	E117-E121 PolarHBondContact O-N 3.23Å; I118-E121 PolarHBondContact O-N 2.89Å; G119-E121 VanDerWaalsContact C-N 3.34Å; G119-E121 PolarHBondContact O-N 2.88Å; E121-N125 WeakPolarHBondContact O-CB 3.34Å; E121-N125 PolarHBondContact O-N 3.19Å; E121-N125 PolarHBondContact O-ND2 3.42Å; E121-N125 VanDerWaalsContact O-ND2 3.07Å
122	I	95.1	Very high	95.3	Very high	107 Å²	107	51.9 Å²	51.9	55%	0.549	26%	0.259	S	S	.	.	H	α-helix	trans	-62.9	-47.9	176.9	-68.2	166.1	0	0	0	110.3	I118 G119 K120 I124 N125 L126	I118-I122 HydrophobicContact CG2-CD1 4.03Å; I118-I122 WeakPolarHBondContact O-CG1 3.19Å; I118-I122 PolarHBondContact O-N 3.15Å; I118-I122 VanDerWaalsContact O-N 3.14Å; G119-I122 PolarHBondContact O-N 3.5Å; K120-I122 VanDerWaalsContact C-N 3.33Å; K120-I122 PolarHBondContact O-N 3.21Å; I122-I124 PolarHBondContact O-N 2.92Å; I122-N125 PolarHBondContact O-N 3.12Å; I122-L126 PolarHBondContact O-N 3.45Å
123	D	95.2	Very high	95.1	Very high	53 Å²	53	53.7 Å²	53.7	28%	0.283	27%	0.272	S	S	.	.	H	α-helix	trans	-61	-46	-179.2	-71.4	-18.2	0	0	0	111.9	T46 F75 G119 K120 N125 L126 I127	T46-D123 HydrophobicContact CG2-CB 3.94Å; F75-D123 HydrophobicContact CE1-CB 3.61Å; F75-D123 VanDerWaalsContact CE1-CG 3.5Å; F75-D123 HydrophobicContact CZ-CB 3.53Å; G119-D123 VanDerWaalsContact O-CG 3.28Å; G119-D123 PolarHBondContact O-N 3.37Å; K120-D123 PolarHBondContact O-N 3.4Å; D123-N125 VanDerWaalsContact C-N 3.34Å; D123-N125 PolarHBondContact O-N 2.81Å; D123-L126 WeakPolarHBondContact O-CB 3.47Å; D123-L126 PolarHBondContact O-N 3.05Å; D123-I127 PolarHBondContact O-N 3.13Å; D123-I127 VanDerWaalsContact O-N 3.16Å
124	I	96.1	Very high	95	Very high	14 Å²	14	54 Å²	54	7%	0.072	27%	0.272	C	S	.	.	H	α-helix	trans	-61.5	-43.2	175.8	-72.2	164.7	0	0	0	110.9	T46 T49 L53 K120 I122 L126 I127 K128	T46-I124 HydrophobicContact CG2-CG1 4.35Å; T49-I124 HydrophobicContact CG2-CD1 3.71Å; T49-I124 HydrophobicContact CG2-CG1 4.09Å; T49-I124 HydrophobicContact CG2-CG2 4.32Å; L53-I124 HydrophobicContact CD1-CG2 3.81Å; K120-I124 HydrophobicContact CD-CD1 4.35Å; K120-I124 HydrophobicContact CG-CD1 3.56Å; K120-I124 HydrophobicContact CG-CG1 4.41Å; K120-I124 WeakPolarHBondContact O-CB 3.46Å; K120-I124 VanDerWaalsContact O-CG1 3.28Å; K120-I124 WeakPolarHBondContact O-CG1 3.45Å; K120-I124 PolarHBondContact O-N 2.96Å; I122-I124 PolarHBondContact O-N 2.92Å; I124-L126 VanDerWaalsContact C-N 3.3Å; I124-L126 PolarHBondContact O-N 2.97Å; I124-I127 PolarHBondContact O-N 3.05Å; I124-K128 HydrophobicContact CG2-CD 4.08Å; I124-K128 HydrophobicContact CG2-CG 4.34Å; I124-K128 WeakPolarHBondContact O-CG 3.46Å; I124-K128 PolarHBondContact O-N 2.79Å
125	N	96.1	Very high	95	Very high	91 Å²	91	51 Å²	51	49%	0.487	26%	0.258	S	S	.	.	H	α-helix	trans	-66.7	-33	180	-75.6	-30.3	0	0	0	112.3	E121 I122 D123 K128 H129	E121-N125 WeakPolarHBondContact O-CB 3.34Å; E121-N125 PolarHBondContact O-N 3.19Å; E121-N125 PolarHBondContact O-ND2 3.42Å; E121-N125 VanDerWaalsContact O-ND2 3.07Å; I122-N125 PolarHBondContact O-N 3.12Å; D123-N125 VanDerWaalsContact C-N 3.34Å; D123-N125 PolarHBondContact O-N 2.81Å; N125-K128 PolarHBondContact O-N 2.95Å; N125-H129 WeakPolarHBondContact O-CB 3.41Å; N125-H129 PolarHBondContact O-N 3.37Å
126	L	94.4	Very high	95	Very high	86 Å²	86	53.9 Å²	53.9	45%	0.45	28%	0.275	S	S	.	.	H	α-helix	trans	-63.5	-46.2	173.9	-174.6	63.4	0	0	0	111.3	L71 I122 D123 I124 H129 E130	L71-L126 HydrophobicContact CD1-CD2 4.06Å; L71-L126 HydrophobicContact CD2-CD2 3.57Å; L71-L126 HydrophobicContact CD2-CG 3.67Å; L71-L126 HydrophobicContact CG-CD2 4.47Å; I122-L126 PolarHBondContact O-N 3.45Å; D123-L126 WeakPolarHBondContact O-CB 3.47Å; D123-L126 PolarHBondContact O-N 3.05Å; I124-L126 VanDerWaalsContact C-N 3.3Å; I124-L126 PolarHBondContact O-N 2.97Å; L126-H129 WeakPolarHBondContact O-CB 3.32Å; L126-H129 PolarHBondContact O-N 2.82Å; L126-E130 PolarHBondContact O-N 3.22Å
127	I	94.3	Very high	94.7	Very high	0 Å²	0	59 Å²	59	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-64.9	-43.4	175.9	-70.5	-71.5	0	0	0	111.6	I50 L71 F75 D123 I124 H129 E130 F131	I50-I127 HydrophobicContact CD1-CD1 4.47Å; I50-I127 HydrophobicContact CD1-CG1 3.79Å; I50-I127 HydrophobicContact CG1-CB 4.23Å; I50-I127 HydrophobicContact CG1-CG1 3.98Å; I50-I127 HydrophobicContact CG1-CG2 4.07Å; I50-I127 HydrophobicContact CG2-CG2 4.07Å; L71-I127 HydrophobicContact CB-CD1 4.48Å; L71-I127 HydrophobicContact CD2-CD1 3.68Å; L71-I127 HydrophobicContact CD2-CG1 4.31Å; L71-I127 HydrophobicContact CG-CD1 3.81Å; F75-I127 HydrophobicContact CD2-CD1 3.99Å; F75-I127 HydrophobicContact CD2-CG1 3.99Å; F75-I127 HydrophobicContact CE2-CD1 3.95Å; F75-I127 HydrophobicContact CE2-CG1 3.71Å; D123-I127 PolarHBondContact O-N 3.13Å; D123-I127 VanDerWaalsContact O-N 3.16Å; I124-I127 PolarHBondContact O-N 3.05Å; I127-H129 VanDerWaalsContact C-N 3.28Å; I127-H129 PolarHBondContact O-N 2.6Å; I127-E130 WeakPolarHBondContact O-CB 3.31Å; I127-E130 PolarHBondContact O-N 3.49Å; I127-E130 VanDerWaalsContact O-N 3.12Å; I127-F131 HydrophobicContact CG2-CD2 3.76Å; I127-F131 HydrophobicContact CG2-CE1 4.24Å; I127-F131 HydrophobicContact CG2-CE2 3.41Å; I127-F131 VanDerWaalsContact CG2-CE2 3.41Å; I127-F131 HydrophobicContact CG2-CG 4.33Å; I127-F131 HydrophobicContact CG2-CZ 3.69Å; I127-F131 PolarHBondContact O-N 3.36Å
128	K	95.2	Very high	94.5	Very high	71 Å²	71	58 Å²	58	31%	0.309	30%	0.296	S	S	.	.	H	α-helix	trans	-55.5	-46.1	174.3	-77	176.8	-179.3	170.6	0	111	L53 I124 N125 E130 F131 L132	L53-K128 HydrophobicContact CD1-CD 4.39Å; L53-K128 HydrophobicContact CD1-CG 3.81Å; L53-K128 HydrophobicContact CD2-CG 4.3Å; I124-K128 HydrophobicContact CG2-CD 4.08Å; I124-K128 HydrophobicContact CG2-CG 4.34Å; I124-K128 WeakPolarHBondContact O-CG 3.46Å; I124-K128 PolarHBondContact O-N 2.79Å; N125-K128 PolarHBondContact O-N 2.95Å; K128-E130 VanDerWaalsContact C-N 3.33Å; K128-E130 PolarHBondContact O-N 3.15Å; K128-F131 PolarHBondContact O-N 3.14Å; K128-L132 VanDerWaalsContact O-CB 3.32Å; K128-L132 WeakPolarHBondContact O-CB 3.44Å; K128-L132 WeakPolarHBondContact O-CG 3.47Å; K128-L132 PolarHBondContact O-N 3.1Å
129	H	95.2	Very high	94.3	Very high	125 Å²	125	60.2 Å²	60.2	58%	0.579	31%	0.308	S	S	*	.	H	α-helix	trans	-60.4	-42.1	177.5	176.3	-86.1	0	0	0	111.9	N125 L126 I127 S133	N125-H129 WeakPolarHBondContact O-CB 3.41Å; N125-H129 PolarHBondContact O-N 3.37Å; L126-H129 WeakPolarHBondContact O-CB 3.32Å; L126-H129 PolarHBondContact O-N 2.82Å; I127-H129 VanDerWaalsContact C-N 3.28Å; I127-H129 PolarHBondContact O-N 2.6Å; H129-S133 WeakPolarHBondContact O-CB 3.41Å; H129-S133 PolarHBondContact O-N 2.93Å; H129-S133 PolarHBondContact O-OG 3.27Å
130	E	93.8	Very high	94.1	Very high	42 Å²	42	62.7 Å²	62.7	20%	0.196	32%	0.316	C	S	.	.	H	α-helix	trans	-61.2	-50.6	176.1	-164	-164.2	140.5	0	0	111.7	S69 L126 I127 K128 L132 S133 K134	S69-E130 WeakPolarHBondContact CB-OE1 3.47Å; S69-E130 WeakPolarHBondContact CB-OE2 3.18Å; S69-E130 PolarHBondContact OG-OE1 3Å; S69-E130 PolarHBondContact OG-OE2 3.15Å; L126-E130 PolarHBondContact O-N 3.22Å; I127-E130 WeakPolarHBondContact O-CB 3.31Å; I127-E130 PolarHBondContact O-N 3.49Å; I127-E130 VanDerWaalsContact O-N 3.12Å; K128-E130 VanDerWaalsContact C-N 3.33Å; K128-E130 PolarHBondContact O-N 3.15Å; E130-L132 PolarHBondContact O-N 3.14Å; E130-S133 WeakPolarHBondContact O-CB 3.41Å; E130-S133 PolarHBondContact O-N 2.8Å; E130-K134 PolarHBondContact O-N 3.4Å; E130-K134 WeakPolarHBondContact OE1-CE 3.43Å; E130-K134 IonicContact OE1-NZ 2.64Å; E130-K134 PolarHBondContact OE1-NZ 3.09Å
131	F	95.3	Very high	93.4	Very high	0 Å²	0	66.4 Å²	66.4	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-62.3	-44.8	179.6	-69.3	-13.8	0	0	0	112.2	L53 R54 Y57 F66 I127 K128 S133 K134 I135	L53-F131 HydrophobicContact CB-CE2 4.49Å; R54-F131 HydrophobicContact CB-CE2 3.87Å; R54-F131 HydrophobicContact CB-CZ 4.02Å; R54-F131 HydrophobicContact CG-CZ 4.47Å; Y57-F131 HydrophobicContact CD2-CB 3.76Å; Y57-F131 AromaticContact CD2-CD2 3.74Å; Y57-F131 HydrophobicContact CD2-CD2 3.74Å; Y57-F131 HydrophobicContact CD2-CG 4.18Å; Y57-F131 HydrophobicContact CE2-CB 3.87Å; Y57-F131 HydrophobicContact CE2-CD2 4.07Å; F66-F131 HydrophobicContact CD1-CB 4.26Å; F66-F131 AromaticContact CD1-CD1 3.95Å; F66-F131 HydrophobicContact CD1-CD1 3.95Å; F66-F131 HydrophobicContact CD1-CE1 4.49Å; F66-F131 HydrophobicContact CD1-CG 4.11Å; F66-F131 HydrophobicContact CE1-CB 4.07Å; F66-F131 HydrophobicContact CE1-CG 4.39Å; I127-F131 HydrophobicContact CG2-CD2 3.76Å; I127-F131 HydrophobicContact CG2-CE1 4.24Å; I127-F131 HydrophobicContact CG2-CE2 3.41Å; I127-F131 VanDerWaalsContact CG2-CE2 3.41Å; I127-F131 HydrophobicContact CG2-CG 4.33Å; I127-F131 HydrophobicContact CG2-CZ 3.69Å; I127-F131 PolarHBondContact O-N 3.36Å; K128-F131 PolarHBondContact O-N 3.14Å; F131-S133 VanDerWaalsContact C-N 3.27Å; F131-S133 PolarHBondContact O-N 3Å; F131-K134 WeakPolarHBondContact O-CB 3.14Å; F131-K134 PolarHBondContact O-N 3.37Å; F131-K134 VanDerWaalsContact O-N 3.14Å; F131-I135 WeakPolarHBondContact O-CG1 3.31Å; F131-I135 PolarHBondContact O-N 3.15Å
132	L	95.3	Very high	92.5	Very high	87 Å²	87	66.3 Å²	66.3	46%	0.455	34%	0.343	S	S	.	.	H	α-helix	trans	-62.3	-35.5	175.9	-70.4	173.4	0	0	0	112.1	Y57 K128 E130 I135 L136	Y57-L132 HydrophobicContact CE1-CD2 4.38Å; K128-L132 VanDerWaalsContact O-CB 3.32Å; K128-L132 WeakPolarHBondContact O-CB 3.44Å; K128-L132 WeakPolarHBondContact O-CG 3.47Å; K128-L132 PolarHBondContact O-N 3.1Å; E130-L132 PolarHBondContact O-N 3.14Å; L132-I135 HydrophobicContact CD2-CD1 4.3Å; L132-I135 PolarHBondContact O-N 3.36Å; L132-L136 WeakPolarHBondContact O-CB 3.38Å; L132-L136 PolarHBondContact O-N 2.79Å
133	S	94.6	Very high	91.3	Very high	39 Å²	39	68.9 Å²	68.9	27%	0.273	35%	0.35	S	S	.	.	H	α-helix	trans	-65.3	-39.3	174.6	-63.9	0	0	0	0	112.1	H129 E130 F131 K137	H129-S133 WeakPolarHBondContact O-CB 3.41Å; H129-S133 PolarHBondContact O-N 2.93Å; H129-S133 PolarHBondContact O-OG 3.27Å; E130-S133 WeakPolarHBondContact O-CB 3.41Å; E130-S133 PolarHBondContact O-N 2.8Å; F131-S133 VanDerWaalsContact C-N 3.27Å; F131-S133 PolarHBondContact O-N 3Å; S133-K137 VanDerWaalsContact O-CG 3.31Å; S133-K137 WeakPolarHBondContact O-CG 3.13Å; S133-K137 PolarHBondContact O-N 3.44Å; S133-K137 VanDerWaalsContact O-N 3.09Å
134	K	93.5	Very high	89.9	Confident	47 Å²	47	72 Å²	72	20%	0.204	37%	0.371	C	S	.	.	H	α-helix	trans	-63.3	-45.5	174.2	-69.1	176.8	-178.1	168	0	110.9	V64 N67 E130 F131 K137 A138	V64-K134 HydrophobicContact CG1-CB 4.03Å; N67-K134 PolarHBondContact O-NZ 3.36Å; E130-K134 PolarHBondContact O-N 3.4Å; E130-K134 WeakPolarHBondContact OE1-CE 3.43Å; E130-K134 IonicContact OE1-NZ 2.64Å; E130-K134 PolarHBondContact OE1-NZ 3.09Å; F131-K134 WeakPolarHBondContact O-CB 3.14Å; F131-K134 PolarHBondContact O-N 3.37Å; F131-K134 VanDerWaalsContact O-N 3.14Å; K134-K137 PolarHBondContact O-N 3.33Å; K134-A138 PolarHBondContact O-N 3Å; K134-A138 VanDerWaalsContact O-N 3.1Å
135	I	95.2	Very high	88	Confident	8 Å²	8	82.7 Å²	82.7	4%	0.041	42%	0.418	C	S	.	.	H	α-helix	trans	-59.5	-49.9	176.8	-66.8	160.5	0	0	0	111	Y57 F61 V64 F66 F131 L132 K137 A138 I139	Y57-I135 HydrophobicContact CD1-CD1 3.96Å; Y57-I135 HydrophobicContact CD2-CD1 4.46Å; Y57-I135 HydrophobicContact CE1-CD1 4.37Å; Y57-I135 HydrophobicContact CG-CD1 4.02Å; F61-I135 HydrophobicContact CB-CG1 4.42Å; F61-I135 HydrophobicContact CD1-CG2 3.9Å; F61-I135 HydrophobicContact CD2-CD1 3.55Å; F61-I135 HydrophobicContact CD2-CG1 3.87Å; F61-I135 HydrophobicContact CD2-CG2 4.19Å; F61-I135 HydrophobicContact CE1-CG2 3.84Å; F61-I135 HydrophobicContact CE2-CD1 3.71Å; F61-I135 HydrophobicContact CE2-CG1 4.33Å; F61-I135 HydrophobicContact CE2-CG2 4.15Å; F61-I135 HydrophobicContact CG-CD1 4.3Å; F61-I135 HydrophobicContact CG-CG1 4.11Å; F61-I135 HydrophobicContact CG-CG2 4.07Å; F61-I135 HydrophobicContact CZ-CG2 3.98Å; V64-I135 HydrophobicContact CG1-CG1 4.15Å; V64-I135 HydrophobicContact CG2-CG1 4.23Å; F66-I135 HydrophobicContact CE1-CD1 3.98Å; F66-I135 HydrophobicContact CE1-CG1 3.83Å; F66-I135 HydrophobicContact CZ-CD1 3.88Å; F66-I135 HydrophobicContact CZ-CG1 3.61Å; F131-I135 WeakPolarHBondContact O-CG1 3.31Å; F131-I135 PolarHBondContact O-N 3.15Å; L132-I135 HydrophobicContact CD2-CD1 4.3Å; L132-I135 PolarHBondContact O-N 3.36Å; I135-K137 VanDerWaalsContact C-N 3.31Å; I135-K137 PolarHBondContact O-N 3.34Å; I135-A138 PolarHBondContact O-N 2.96Å; I135-A138 VanDerWaalsContact O-N 3.15Å; I135-I139 HydrophobicContact CG2-CD1 3.75Å; I135-I139 HydrophobicContact CG2-CG1 4.43Å; I135-I139 WeakPolarHBondContact O-CG1 3.5Å; I135-I139 PolarHBondContact O-N 2.9Å
136	L	94.3	Very high	87.6	Confident	101 Å²	101	82.3 Å²	82.3	53%	0.529	41%	0.414	S	S	.	.	H	α-helix	trans	-60.1	-41.7	-179	-177.8	62.7	0	0	0	111.9	L132 I139 N140	L132-L136 WeakPolarHBondContact O-CB 3.38Å; L132-L136 PolarHBondContact O-N 2.79Å; L136-I139 PolarHBondContact O-N 3.39Å; L136-N140 WeakPolarHBondContact O-CB 3.38Å; L136-N140 VanDerWaalsContact O-CG 3.27Å; L136-N140 PolarHBondContact O-N 3.4Å; L136-N140 PolarHBondContact O-ND2 2.91Å
137	K	91.8	Very high	87.2	Confident	143 Å²	143	82.1 Å²	82.1	62%	0.622	41%	0.412	S	S	*	.	H	α-helix	trans	-60.6	-44.6	175.6	-75.8	175.1	-178.5	179.4	0	111.8	S133 K134 I135 N140 N141	S133-K137 VanDerWaalsContact O-CG 3.31Å; S133-K137 WeakPolarHBondContact O-CG 3.13Å; S133-K137 PolarHBondContact O-N 3.44Å; S133-K137 VanDerWaalsContact O-N 3.09Å; K134-K137 PolarHBondContact O-N 3.33Å; I135-K137 VanDerWaalsContact C-N 3.31Å; I135-K137 PolarHBondContact O-N 3.34Å; K137-N140 PolarHBondContact O-N 3.29Å; K137-N141 WeakPolarHBondContact O-CB 3.36Å; K137-N141 PolarHBondContact O-N 2.99Å; K137-N141 PolarHBondContact O-ND2 3.14Å; K137-N141 PolarHBondContact O-OD1 3.25Å
138	A	89.9	Confident	86.8	Confident	26 Å²	26	86.7 Å²	86.7	22%	0.215	44%	0.435	C	S	.	.	H	α-helix	trans	-63.5	-45.6	178.7	0	0	0	0	0	112.1	V64 K134 I135 N140 N141 V142	V64-A138 HydrophobicContact CG2-CB 3.61Å; K134-A138 PolarHBondContact O-N 3Å; K134-A138 VanDerWaalsContact O-N 3.1Å; I135-A138 PolarHBondContact O-N 2.96Å; I135-A138 VanDerWaalsContact O-N 3.15Å; A138-N140 VanDerWaalsContact C-N 3.32Å; A138-N140 PolarHBondContact O-N 3.41Å; A138-N141 PolarHBondContact O-N 3.3Å; A138-V142 WeakPolarHBondContact O-CG2 3.44Å; A138-V142 PolarHBondContact O-N 3.17Å; A138-V142 VanDerWaalsContact O-N 3.14Å
139	I	90.4	Very high	86.3	Confident	69 Å²	69	87.6 Å²	87.6	35%	0.354	44%	0.443	S	S	.	.	H	α-helix	trans	-60.6	-43.2	177.7	-67.3	171	0	0	0	111	I135 L136 V142 K143	I135-I139 HydrophobicContact CG2-CD1 3.75Å; I135-I139 HydrophobicContact CG2-CG1 4.43Å; I135-I139 WeakPolarHBondContact O-CG1 3.5Å; I135-I139 PolarHBondContact O-N 2.9Å; L136-I139 PolarHBondContact O-N 3.39Å; I139-V142 PolarHBondContact O-N 3.4Å; I139-K143 PolarHBondContact O-N 3.22Å
140	N	89.2	Confident	85.8	Confident	75 Å²	75	85.3 Å²	85.3	40%	0.401	43%	0.434	S	S	.	.	H	α-helix	trans	-67	-37	179.6	-72	-19.2	0	0	0	112.2	L136 K137 A138 V142 K143 T144	L136-N140 WeakPolarHBondContact O-CB 3.38Å; L136-N140 VanDerWaalsContact O-CG 3.27Å; L136-N140 PolarHBondContact O-N 3.4Å; L136-N140 PolarHBondContact O-ND2 2.91Å; K137-N140 PolarHBondContact O-N 3.29Å; A138-N140 VanDerWaalsContact C-N 3.32Å; A138-N140 PolarHBondContact O-N 3.41Å; N140-V142 VanDerWaalsContact C-N 3.27Å; N140-V142 PolarHBondContact O-N 3.02Å; N140-K143 PolarHBondContact O-N 3.41Å; N140-T144 PolarHBondContact O-N 3.48Å; N140-T144 PolarHBondContact O-OG1 3.35Å
141	N	81	Confident	85.2	Confident	104 Å²	104	88.1 Å²	88.1	56%	0.556	45%	0.45	S	S	*	.	H	α-helix	trans	-65.7	-29.9	175.9	-70.1	-15.7	0	0	0	112.9	K137 A138 T144	K137-N141 WeakPolarHBondContact O-CB 3.36Å; K137-N141 PolarHBondContact O-N 2.99Å; K137-N141 PolarHBondContact O-ND2 3.14Å; K137-N141 PolarHBondContact O-OD1 3.25Å; A138-N141 PolarHBondContact O-N 3.3Å; N141-T144 PolarHBondContact O-OG1 3.48Å
142	V	76	Confident	84.5	Confident	105 Å²	105	94.4 Å²	94.4	64%	0.636	48%	0.482	S	S	*	.	H	α-helix	trans	-71.2	-36.5	173.4	174.1	0	0	0	0	111.1	A138 I139 N140 T144 K145	A138-V142 WeakPolarHBondContact O-CG2 3.44Å; A138-V142 PolarHBondContact O-N 3.17Å; A138-V142 VanDerWaalsContact O-N 3.14Å; I139-V142 PolarHBondContact O-N 3.4Å; N140-V142 VanDerWaalsContact C-N 3.27Å; N140-V142 PolarHBondContact O-N 3.02Å; V142-T144 VanDerWaalsContact C-N 3.32Å; V142-T144 PolarHBondContact O-N 3.44Å; V142-K145 PolarHBondContact O-N 3.18Å
143	K	69.8	Low	83.7	Confident	160 Å²	160	95 Å²	95	70%	0.696	48%	0.484	S	S	*	.	H	α-helix	trans	-73.4	-20.2	-178.8	-71.6	-178.3	-179.7	-179.9	0	114.5	I139 N140	I139-K143 PolarHBondContact O-N 3.22Å; N140-K143 PolarHBondContact O-N 3.41Å
144	T	66.3	Low	82.8	Confident	118 Å²	118	99.7 Å²	99.7	72%	0.724	50%	0.502	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.8	-1.7	179.3	53.5	0	0	0	0	113.7	N140 N141 V142	N140-T144 PolarHBondContact O-N 3.48Å; N140-T144 PolarHBondContact O-OG1 3.35Å; N141-T144 PolarHBondContact O-OG1 3.48Å; V142-T144 VanDerWaalsContact C-N 3.32Å; V142-T144 PolarHBondContact O-N 3.44Å
145	K	55.8	Low	81.8	Confident	240 Å²	240	104.5 Å²	104.5	100%	1.043	53%	0.529	S	S	*	.			trans	-99.4	0	172.4	-74.6	-174.9	177.4	-178.7	0	109.8	V142	V142-K145 PolarHBondContact O-N 3.18Å

Retrieved 145 of 145 residues in 85.5 ms (Link to these results)

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