YBER_ECOLI Loading...

Uncharacterized protein YbeR

AlphaFold DB , UniProt , Accession P77627, Species ECOLI (Escherichia coli (strain K12)), Gene ybeR, Length 235 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	88.9	Confident	94.3	Very high	68 Å²	68	44.4 Å²	44.4	34%	0.335	22%	0.217	S	C	.	.				0	134.5	0	-176.4	174.7	-71.5	0	0	107.7	Q6 L9 L141 L219	M1-Q6 HydrophobicContact CB-CG 4.44Å; M1-Q6 HydrophobicContact CG-CG 4.08Å; M1-Q6 HydrophobicContact SD-CG 4.1Å; M1-L9 HydrophobicContact CE-CD1 3.68Å; M1-L9 HydrophobicContact SD-CD1 3.46Å; M1-L9 WeakPolarHBondContact SD-CD1 3.44Å; M1-L9 HydrophobicContact SD-CG 4.35Å; M1-L141 HydrophobicContact SD-CB 4.42Å; M1-L141 HydrophobicContact SD-CD1 4.39Å; M1-L141 HydrophobicContact SD-CD2 4.14Å; M1-L219 HydrophobicContact CE-CD1 4.1Å; M1-L219 HydrophobicContact SD-CD1 4.42Å
2	D	92.2	Very high	94.5	Very high	78 Å²	78	40.7 Å²	40.7	42%	0.417	20%	0.198	S	C	.	.			trans	-74.9	163.5	179.7	67.8	92.9	0	0	0	112.1	E4 S5 Q6	D2-E4 VanDerWaalsContact C-N 3.34Å; D2-E4 PolarHBondContact O-N 3.39Å; D2-E4 WeakPolarHBondContact OD1-CB 3.32Å; D2-E4 PolarHBondContact OD1-N 3.06Å; D2-S5 PolarHBondContact O-N 3.07Å; D2-S5 PolarHBondContact OD1-N 2.87Å; D2-S5 PolarHBondContact OD1-OG 2.74Å; D2-S5 VanDerWaalsContact OD2-CB 3.27Å; D2-S5 WeakPolarHBondContact OD2-CB 3.44Å; D2-S5 PolarHBondContact OD2-OG 2.78Å; D2-Q6 WeakPolarHBondContact O-CG 3.35Å; D2-Q6 PolarHBondContact O-N 2.81Å
3	M	90.7	Very high	94.7	Very high	123 Å²	123	37.5 Å²	37.5	61%	0.606	18%	0.183	S	C	*	.	H	α-helix	trans	-64.2	-34.2	-174.6	-174.4	175	62.1	0	0	113.3	Q6 K7	M3-Q6 PolarHBondContact O-N 3.35Å; M3-K7 WeakPolarHBondContact O-CG 3.45Å; M3-K7 PolarHBondContact O-N 3.16Å
4	E	91.6	Very high	94.6	Very high	99 Å²	99	34.9 Å²	34.9	46%	0.463	17%	0.17	S	C	.	.	H	α-helix	trans	-70.5	-40.8	178.6	-65.9	-55.1	127.4	0	0	110.8	D2 Q6 K7 I8	D2-E4 VanDerWaalsContact C-N 3.34Å; D2-E4 PolarHBondContact O-N 3.39Å; D2-E4 WeakPolarHBondContact OD1-CB 3.32Å; D2-E4 PolarHBondContact OD1-N 3.06Å; E4-Q6 VanDerWaalsContact C-N 3.34Å; E4-Q6 PolarHBondContact O-N 3.47Å; E4-K7 PolarHBondContact O-N 3.11Å; E4-K7 IonicContact OE1-NZ 2.74Å; E4-K7 PolarHBondContact OE1-NZ 3.22Å; E4-K7 IonicContact OE2-NZ 3.84Å; E4-I8 WeakPolarHBondContact O-CG1 3.12Å; E4-I8 PolarHBondContact O-N 3.13Å; E4-I8 VanDerWaalsContact O-N 3.14Å
5	S	95.4	Very high	94.5	Very high	6 Å²	6	32.5 Å²	32.5	4%	0.042	16%	0.159	C	C	.	.	H	α-helix	trans	-60.2	-42.5	171.4	-67.5	0	0	0	0	112.2	D2 I8 L9	D2-S5 PolarHBondContact O-N 3.07Å; D2-S5 PolarHBondContact OD1-N 2.87Å; D2-S5 PolarHBondContact OD1-OG 2.74Å; D2-S5 VanDerWaalsContact OD2-CB 3.27Å; D2-S5 WeakPolarHBondContact OD2-CB 3.44Å; D2-S5 PolarHBondContact OD2-OG 2.78Å; S5-I8 PolarHBondContact O-N 3.28Å; S5-L9 WeakPolarHBondContact O-CG 3.37Å; S5-L9 PolarHBondContact O-N 3.3Å; S5-L9 VanDerWaalsContact O-N 3.12Å
6	Q	95.7	Very high	94.4	Very high	41 Å²	41	30.8 Å²	30.8	19%	0.192	15%	0.15	C	C	.	.	H	α-helix	trans	-62.2	-43.3	176.8	-69.7	-173.9	4.9	0	0	112.3	M1 D2 M3 E4 I8 L9 F10 E137 L141	M1-Q6 HydrophobicContact CB-CG 4.44Å; M1-Q6 HydrophobicContact CG-CG 4.08Å; M1-Q6 HydrophobicContact SD-CG 4.1Å; D2-Q6 WeakPolarHBondContact O-CG 3.35Å; D2-Q6 PolarHBondContact O-N 2.81Å; M3-Q6 PolarHBondContact O-N 3.35Å; E4-Q6 VanDerWaalsContact C-N 3.34Å; E4-Q6 PolarHBondContact O-N 3.47Å; Q6-I8 VanDerWaalsContact C-N 3.32Å; Q6-I8 PolarHBondContact O-N 3.42Å; Q6-L9 PolarHBondContact O-N 3.16Å; Q6-L9 VanDerWaalsContact O-N 3.13Å; Q6-F10 HydrophobicContact CB-CE2 4.09Å; Q6-F10 HydrophobicContact CB-CZ 4.34Å; Q6-F10 WeakPolarHBondContact O-CD2 3.22Å; Q6-F10 WeakPolarHBondContact O-CG 3.47Å; Q6-F10 PolarHBondContact O-N 3.43Å; Q6-E137 PolarHBondContact NE2-OE1 2.63Å; Q6-L141 HydrophobicContact CB-CD2 4.36Å; Q6-L141 HydrophobicContact CG-CD1 4.03Å; Q6-L141 HydrophobicContact CG-CD2 3.95Å
7	K	94.9	Very high	94	Very high	59 Å²	59	29 Å²	29	26%	0.257	14%	0.142	S	C	.	.	H	α-helix	trans	-57.9	-44.3	176.4	-73.3	171.8	-176.9	172	0	111.9	M3 E4 L9 F10 A11	M3-K7 WeakPolarHBondContact O-CG 3.45Å; M3-K7 PolarHBondContact O-N 3.16Å; E4-K7 PolarHBondContact O-N 3.11Å; E4-K7 IonicContact OE1-NZ 2.74Å; E4-K7 PolarHBondContact OE1-NZ 3.22Å; E4-K7 IonicContact OE2-NZ 3.84Å; K7-L9 VanDerWaalsContact C-N 3.31Å; K7-L9 PolarHBondContact O-N 3.39Å; K7-F10 PolarHBondContact O-N 2.74Å; K7-A11 VanDerWaalsContact O-CB 3.28Å; K7-A11 WeakPolarHBondContact O-CB 3.43Å; K7-A11 PolarHBondContact O-N 3.47Å
8	I	96.9	Very high	93.2	Very high	13 Å²	13	28.1 Å²	28.1	7%	0.067	14%	0.137	C	C	.	.	H	α-helix	trans	-60.1	-42.2	176.3	-69.3	170.6	0	0	0	110.8	E4 S5 Q6 A11 W158 Q217 L219	E4-I8 WeakPolarHBondContact O-CG1 3.12Å; E4-I8 PolarHBondContact O-N 3.13Å; E4-I8 VanDerWaalsContact O-N 3.14Å; S5-I8 PolarHBondContact O-N 3.28Å; Q6-I8 VanDerWaalsContact C-N 3.32Å; Q6-I8 PolarHBondContact O-N 3.42Å; I8-A11 WeakPolarHBondContact O-CB 3.47Å; I8-A11 PolarHBondContact O-N 3.04Å; I8-W158 HydrophobicContact CG2-CZ2 4.34Å; I8-Q217 HydrophobicContact CD1-CG 4.47Å; I8-L219 HydrophobicContact CB-CD2 4.1Å; I8-L219 HydrophobicContact CD1-CD2 4.12Å; I8-L219 HydrophobicContact CG2-CD2 3.95Å
9	L	97.7	Very high	92.3	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-67.1	-46.6	178.9	-67	-169.2	0	0	0	112.3	M1 S5 Q6 K7 A11 L12 L141 Q144 H148 L219	M1-L9 HydrophobicContact CE-CD1 3.68Å; M1-L9 HydrophobicContact SD-CD1 3.46Å; M1-L9 WeakPolarHBondContact SD-CD1 3.44Å; M1-L9 HydrophobicContact SD-CG 4.35Å; S5-L9 WeakPolarHBondContact O-CG 3.37Å; S5-L9 PolarHBondContact O-N 3.3Å; S5-L9 VanDerWaalsContact O-N 3.12Å; Q6-L9 PolarHBondContact O-N 3.16Å; Q6-L9 VanDerWaalsContact O-N 3.13Å; K7-L9 VanDerWaalsContact C-N 3.31Å; K7-L9 PolarHBondContact O-N 3.39Å; L9-A11 VanDerWaalsContact C-N 3.25Å; L9-A11 PolarHBondContact O-N 2.87Å; L9-L12 HydrophobicContact CD2-CD1 4.33Å; L9-L12 WeakPolarHBondContact O-CB 3.33Å; L9-L12 WeakPolarHBondContact O-CG 3.29Å; L9-L12 PolarHBondContact O-N 3.17Å; L9-L141 HydrophobicContact CD1-CD2 4.09Å; L9-L141 WeakPolarHBondContact CD1-O 3.38Å; L9-Q144 HydrophobicContact CB-CB 4.04Å; L9-Q144 HydrophobicContact CD1-CB 4.3Å; L9-Q144 PolarHBondContact O-OE1 2.71Å; L9-Q144 VanDerWaalsContact O-OE1 3.11Å; L9-H148 HydrophobicContact CD2-CB 3.56Å; L9-L219 HydrophobicContact CD1-CD1 4.1Å; L9-L219 HydrophobicContact CD2-CD1 3.88Å; L9-L219 HydrophobicContact CG-CD1 4.02Å
10	F	96.8	Very high	91.6	Very high	1 Å²	1	31.9 Å²	31.9	0%	0.004	15%	0.152	C	C	.	.	H	α-helix	trans	-62.8	-35	178.4	-60.9	-25.6	0	0	0	112.1	Q6 K7 L12 S13 T14 H27 S28 P30 L141	Q6-F10 HydrophobicContact CB-CE2 4.09Å; Q6-F10 HydrophobicContact CB-CZ 4.34Å; Q6-F10 WeakPolarHBondContact O-CD2 3.22Å; Q6-F10 WeakPolarHBondContact O-CG 3.47Å; Q6-F10 PolarHBondContact O-N 3.43Å; K7-F10 PolarHBondContact O-N 2.74Å; F10-L12 PolarHBondContact O-N 2.85Å; F10-L12 VanDerWaalsContact O-N 3.14Å; F10-S13 PolarHBondContact O-N 3.14Å; F10-S13 PolarHBondContact O-OG 3.16Å; F10-T14 PolarHBondContact O-OG1 3.13Å; F10-H27 WeakPolarHBondContact CB-O 3.36Å; F10-S28 WeakPolarHBondContact CE2-O 3.46Å; F10-P30 HydrophobicContact CE1-CB 4.28Å; F10-P30 HydrophobicContact CZ-CB 3.85Å; F10-L141 HydrophobicContact CD1-CD2 4.42Å; F10-L141 HydrophobicContact CE1-CD2 3.53Å; F10-L141 HydrophobicContact CZ-CD2 3.81Å
11	A	96.5	Very high	90.4	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-57.3	-26.1	177.4	0	0	0	0	0	114.2	K7 I8 L9 S13 T14 W158 Y210 Y211 L214	K7-A11 VanDerWaalsContact O-CB 3.28Å; K7-A11 WeakPolarHBondContact O-CB 3.43Å; K7-A11 PolarHBondContact O-N 3.47Å; I8-A11 WeakPolarHBondContact O-CB 3.47Å; I8-A11 PolarHBondContact O-N 3.04Å; L9-A11 VanDerWaalsContact C-N 3.25Å; L9-A11 PolarHBondContact O-N 2.87Å; A11-S13 PolarHBondContact O-N 3.32Å; A11-T14 WeakPolarHBondContact CA-OG1 3.48Å; A11-T14 PolarHBondContact O-N 2.91Å; A11-W158 HydrophobicContact CB-CH2 3.65Å; A11-W158 HydrophobicContact CB-CZ2 3.97Å; A11-W158 HydrophobicContact CB-CZ3 4.21Å; A11-Y210 HydrophobicContact CB-CE1 3.87Å; A11-Y211 HydrophobicContact CB-CE1 4.12Å; A11-Y211 WeakPolarHBondContact O-CE1 3.35Å; A11-Y211 PolarHBondContact O-OH 2.91Å; A11-L214 HydrophobicContact CB-CD1 3.34Å
12	L	97.1	Very high	89.9	Confident	0 Å²	0	42.1 Å²	42.1	0%	0	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-29.1	174.8	-63.8	169	0	0	0	112.5	L9 F10 V120 I147 H148 A151 W158 Y161	L9-L12 HydrophobicContact CD2-CD1 4.33Å; L9-L12 WeakPolarHBondContact O-CB 3.33Å; L9-L12 WeakPolarHBondContact O-CG 3.29Å; L9-L12 PolarHBondContact O-N 3.17Å; F10-L12 PolarHBondContact O-N 2.85Å; F10-L12 VanDerWaalsContact O-N 3.14Å; L12-V120 WeakPolarHBondContact O-CA 3.46Å; L12-V120 WeakPolarHBondContact O-CG2 3.5Å; L12-I147 HydrophobicContact CD1-CB 4.47Å; L12-I147 HydrophobicContact CD1-CG2 4.24Å; L12-H148 HydrophobicContact CD1-CB 3.78Å; L12-A151 HydrophobicContact CD2-CB 4.23Å; L12-W158 HydrophobicContact CD2-CH2 3.93Å; L12-W158 HydrophobicContact CD2-CZ3 3.98Å; L12-W158 HydrophobicContact CG-CH2 4.32Å; L12-Y161 HydrophobicContact CD2-CE1 4.27Å; L12-Y161 HydrophobicContact CD2-CE2 4.22Å; L12-Y161 PolarHBondContact O-OH 3.02Å
13	S	96.4	Very high	89.6	Confident	0 Å²	0	39.7 Å²	39.7	0%	0	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.5	-2.8	-175.1	63.6	0	0	0	0	114.2	F10 A11 P15 M16 M32 G123 R127	F10-S13 PolarHBondContact O-N 3.14Å; F10-S13 PolarHBondContact O-OG 3.16Å; A11-S13 PolarHBondContact O-N 3.32Å; S13-P15 VanDerWaalsContact C-N 3.35Å; S13-M16 PolarHBondContact O-N 3.41Å; S13-M32 WeakPolarHBondContact OG-CE 3.24Å; S13-G123 VanDerWaalsContact CB-C 3.49Å; S13-R127 WeakPolarHBondContact OG-CD 3.3Å; S13-R127 PolarHBondContact OG-NH1 2.71Å
14	T	94	Very high	89.6	Confident	0 Å²	0	39 Å²	39	0%	0	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-28.9	-173.7	-55.7	0	0	0	0	115.8	F10 A11 M16 E17 H27 L203 Y210	F10-T14 PolarHBondContact O-OG1 3.13Å; A11-T14 WeakPolarHBondContact CA-OG1 3.48Å; A11-T14 PolarHBondContact O-N 2.91Å; T14-M16 PolarHBondContact O-N 3.41Å; T14-E17 WeakPolarHBondContact CA-OE1 3.46Å; T14-E17 WeakPolarHBondContact CB-OE1 3.19Å; T14-E17 HydrophobicContact CG2-CB 4.33Å; T14-E17 HydrophobicContact CG2-CG 4.41Å; T14-E17 VanDerWaalsContact O-CB 3.24Å; T14-E17 WeakPolarHBondContact O-CB 3.27Å; T14-E17 PolarHBondContact O-N 3.41Å; T14-E17 PolarHBondContact OG1-OE1 2.87Å; T14-H27 VanDerWaalsContact CG2-CE1 3.44Å; T14-H27 WeakPolarHBondContact CG2-CE1 3.44Å; T14-H27 WeakPolarHBondContact CG2-ND1 3.42Å; T14-L203 HydrophobicContact CG2-CD2 3.55Å; T14-Y210 HydrophobicContact CG2-CD1 4Å; T14-Y210 HydrophobicContact CG2-CE1 4.33Å
15	P	93.3	Very high	89.6	Confident	0 Å²	0	36.6 Å²	36.6	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-58.6	-27.3	173.6	-24	35.6	0	0	0	112.5	S13 V120 F162 Y165 M199 L203 Y211	S13-P15 VanDerWaalsContact C-N 3.35Å; P15-V120 HydrophobicContact CB-CG1 4.11Å; P15-V120 HydrophobicContact CG-CG1 4.17Å; P15-V120 HydrophobicContact CG-CG2 4.12Å; P15-F162 HydrophobicContact CB-CE2 4.28Å; P15-F162 HydrophobicContact CG-CD2 4.04Å; P15-F162 HydrophobicContact CG-CE2 4.17Å; P15-Y165 HydrophobicContact CB-CD1 3.75Å; P15-Y165 HydrophobicContact CB-CD2 4.36Å; P15-Y165 HydrophobicContact CB-CE1 3.43Å; P15-Y165 VanDerWaalsContact CB-CE1 3.43Å; P15-Y165 HydrophobicContact CB-CE2 4.07Å; P15-Y165 HydrophobicContact CB-CG 4.21Å; P15-Y165 HydrophobicContact CG-CD1 4.17Å; P15-Y165 HydrophobicContact CG-CE1 4.35Å; P15-Y165 HydrophobicContact CG-CG 4.35Å; P15-M199 HydrophobicContact CB-SD 3.89Å; P15-M199 WeakPolarHBondContact O-CE 3.44Å; P15-L203 HydrophobicContact CB-CD1 4.37Å; P15-L203 HydrophobicContact CG-CD1 4.08Å; P15-Y211 VanDerWaalsContact CD-OH 3.27Å; P15-Y211 WeakPolarHBondContact CD-OH 3.26Å; P15-Y211 WeakPolarHBondContact CG-OH 3.27Å
16	M	92.3	Very high	89.4	Confident	4 Å²	4	37.1 Å²	37.1	2%	0.02	20%	0.196	C	C	.	.	H	α-helix	trans	-86.1	-12.5	174.7	-74.4	-170.5	71.6	0	0	114.8	S13 T14 I18 Y33 W45 V120 R121 F124	S13-M16 PolarHBondContact O-N 3.41Å; T14-M16 PolarHBondContact O-N 3.41Å; M16-I18 VanDerWaalsContact C-N 3.29Å; M16-Y33 PolarHBondContact O-OH 2.97Å; M16-W45 HydrophobicContact CE-CH2 4.45Å; M16-W45 HydrophobicContact CE-CZ2 3.86Å; M16-V120 HydrophobicContact CB-CG1 4.37Å; M16-V120 HydrophobicContact CG-CG1 3.73Å; M16-V120 HydrophobicContact SD-CG1 4.16Å; M16-R121 HydrophobicContact SD-CB 4.2Å; M16-R121 HydrophobicContact SD-CG 3.63Å; M16-F124 HydrophobicContact CB-CB 4Å; M16-F124 HydrophobicContact CB-CD2 3.79Å; M16-F124 HydrophobicContact CB-CG 4.11Å; M16-F124 HydrophobicContact CE-CB 3.86Å; M16-F124 HydrophobicContact CE-CD1 3.34Å; M16-F124 HydrophobicContact CE-CD2 3.63Å; M16-F124 HydrophobicContact CE-CE1 3.71Å; M16-F124 HydrophobicContact CE-CE2 3.98Å; M16-F124 HydrophobicContact CE-CG 3.3Å; M16-F124 HydrophobicContact CE-CZ 4.02Å; M16-F124 HydrophobicContact CG-CB 4.34Å; M16-F124 HydrophobicContact SD-CB 3.46Å; M16-F124 WeakPolarHBondContact SD-CB 3.43Å; M16-F124 HydrophobicContact SD-CD1 4.07Å; M16-F124 HydrophobicContact SD-CD2 4.23Å; M16-F124 HydrophobicContact SD-CG 3.66Å
17	E	88.3	Confident	89.2	Confident	1 Å²	1	38 Å²	38	1%	0.005	20%	0.2	C	C	.	.	H	α-helix	trans	-61.2	-43.8	169.3	-75.2	173.2	-136.9	0	0	110.6	T14 R19 P25 H27 M32 R127	T14-E17 WeakPolarHBondContact CA-OE1 3.46Å; T14-E17 WeakPolarHBondContact CB-OE1 3.19Å; T14-E17 HydrophobicContact CG2-CB 4.33Å; T14-E17 HydrophobicContact CG2-CG 4.41Å; T14-E17 VanDerWaalsContact O-CB 3.24Å; T14-E17 WeakPolarHBondContact O-CB 3.27Å; T14-E17 PolarHBondContact O-N 3.41Å; T14-E17 PolarHBondContact OG1-OE1 2.87Å; E17-R19 PolarHBondContact O-N 3.34Å; E17-P25 HydrophobicContact CB-CB 3.79Å; E17-P25 HydrophobicContact CG-CB 4.43Å; E17-H27 IonicContact OE1-ND1 2.69Å; E17-H27 WeakPolarHBondContact OE2-CA 3.45Å; E17-H27 IonicContact OE2-CE1 3.47Å; E17-H27 PolarHBondContact OE2-CE1 2.9Å; E17-H27 IonicContact OE2-CG 2.78Å; E17-H27 PolarHBondContact OE2-N 3.14Å; E17-H27 IonicContact OE2-ND1 2.87Å; E17-H27 PolarHBondContact OE2-ND1 3.34Å; E17-M32 HydrophobicContact CB-CG 4.38Å; E17-M32 HydrophobicContact CG-CE 3.93Å; E17-M32 HydrophobicContact CG-CG 3.36Å; E17-M32 HydrophobicContact CG-SD 3.75Å; E17-R127 IonicContact OE1-CZ 3.19Å; E17-R127 IonicContact OE1-NH1 2.78Å; E17-R127 PolarHBondContact OE1-NH1 2.83Å; E17-R127 IonicContact OE1-NH2 2.73Å; E17-R127 PolarHBondContact OE1-NH2 3.2Å
18	I	79.1	Confident	89	Confident	12 Å²	12	39 Å²	39	6%	0.062	21%	0.214	C	C	.	.	H	α-helix	trans	-74.2	-27.3	-173.2	-59.8	172.3	0	0	0	111.8	M16 N20 D198 M199 Q202 L203	M16-I18 VanDerWaalsContact C-N 3.29Å; I18-N20 VanDerWaalsContact C-N 3.34Å; I18-N20 PolarHBondContact O-N 2.93Å; I18-D198 HydrophobicContact CG2-CB 4.37Å; I18-D198 WeakPolarHBondContact CG2-OD2 3.38Å; I18-M199 HydrophobicContact CB-CG 3.94Å; I18-M199 HydrophobicContact CD1-CB 4.35Å; I18-M199 HydrophobicContact CD1-CG 4.12Å; I18-M199 HydrophobicContact CG2-CG 3.94Å; I18-Q202 HydrophobicContact CD1-CB 3.84Å; I18-Q202 HydrophobicContact CD1-CG 4.48Å; I18-L203 HydrophobicContact CD1-CD1 3.98Å; I18-L203 HydrophobicContact CD1-CD2 3.97Å; I18-L203 HydrophobicContact CD1-CG 3.75Å
19	R	75.5	Confident	88.9	Confident	92 Å²	92	39.2 Å²	39.2	35%	0.347	22%	0.217	S	C	.	.	H	α-helix	trans	-67.8	-28.5	-174.1	-168.7	-176.8	177.2	-155.3	-0.8	114.2	E17 E21 M199	E17-R19 PolarHBondContact O-N 3.34Å; R19-E21 PolarHBondContact O-N 3.46Å; R19-M199 HydrophobicContact CB-CE 4.08Å; R19-M199 HydrophobicContact CG-CE 4.46Å
20	N	78.6	Confident	88.8	Confident	41 Å²	41	40.5 Å²	40.5	22%	0.219	23%	0.225	C	C	.	.			trans	-98.3	78.5	-172.8	-70.1	-56.9	0	0	0	110.7	I18 C22 C23 Y33 F39	I18-N20 VanDerWaalsContact C-N 3.34Å; I18-N20 PolarHBondContact O-N 2.93Å; N20-C22 PolarHBondContact O-N 3.02Å; N20-C23 HydrophobicContact CB-CB 4.4Å; N20-C23 WeakPolarHBondContact O-CB 3.21Å; N20-C23 PolarHBondContact O-N 3.12Å; N20-Y33 HydrophobicContact CB-CE1 4.36Å; N20-Y33 PolarHBondContact ND2-OH 3.31Å; N20-F39 HydrophobicContact CB-CE2 4.41Å
21	E	67	Low	88.8	Confident	176 Å²	176	44 Å²	44	82%	0.822	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.7	-27.8	-172.6	-64.7	175.9	-167.3	0	0	114.8	R19 C23	R19-E21 PolarHBondContact O-N 3.46Å; E21-C23 PolarHBondContact O-N 3.38Å
22	C	77.9	Confident	88.7	Confident	139 Å²	139	44 Å²	44	94%	0.939	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.8	-4.9	177.6	-62.1	0	0	0	0	113.9	N20	N20-C22 PolarHBondContact O-N 3.02Å
23	C	85.5	Confident	88.6	Confident	27 Å²	27	44.2 Å²	44.2	18%	0.182	24%	0.241	C	C	.	.	S	Bend	trans	-113.1	148.7	-178.2	-64.9	0	0	0	0	110.8	N20 E21 P25 Y33	N20-C23 HydrophobicContact CB-CB 4.4Å; N20-C23 WeakPolarHBondContact O-CB 3.21Å; N20-C23 PolarHBondContact O-N 3.12Å; E21-C23 PolarHBondContact O-N 3.38Å; C23-P25 WeakPolarHBondContact O-CD 3.33Å; C23-Y33 HydrophobicContact CB-CD1 3.33Å; C23-Y33 HydrophobicContact CB-CD2 4.14Å; C23-Y33 HydrophobicContact CB-CE1 3.73Å; C23-Y33 HydrophobicContact CB-CE2 4.45Å; C23-Y33 HydrophobicContact CB-CG 3.58Å
24	L	90.3	Very high	88.4	Confident	109 Å²	109	48.2 Å²	48.2	57%	0.571	26%	0.262	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.4	105.5	173.7	-179.1	60.6	0	0	0	109.7	Y33 L34	L24-Y33 CarbonylContact O-C 3.58Å; L24-Y33 VanDerWaalsContact O-CA 3.32Å; L24-Y33 WeakPolarHBondContact O-CA 3.48Å; L24-L34 HydrophobicContact CB-CB 4.42Å; L24-L34 HydrophobicContact CD2-CB 4.1Å; L24-L34 HydrophobicContact CD2-CD1 4.23Å; L24-L34 HydrophobicContact CG-CB 4.3Å; L24-L34 HydrophobicContact CG-CD1 4.47Å; L24-L34 PolarHBondContact O-N 3.32Å
25	P	91.6	Very high	88.3	Confident	48 Å²	48	52.2 Å²	52.2	31%	0.312	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	154.5	-177.3	29.2	-36.5	0	0	0	113	E17 C23 M32 Y33	E17-P25 HydrophobicContact CB-CB 3.79Å; E17-P25 HydrophobicContact CG-CB 4.43Å; C23-P25 WeakPolarHBondContact O-CD 3.33Å; P25-M32 CarbonylContact C-O 3.45Å; P25-Y33 HydrophobicContact CB-CE1 4.49Å
26	S	92.3	Very high	88.2	Confident	17 Å²	17	53.9 Å²	53.9	12%	0.119	31%	0.314	C	S	.	.			trans	-145.7	115.2	172	173.6	0	0	0	0	111	S28 S29 M32 R127	S26-S28 PolarHBondContact O-N 3.06Å; S26-S28 VanDerWaalsContact O-N 3.17Å; S26-S28 PolarHBondContact OG-OG 3.35Å; S26-S29 PolarHBondContact O-N 2.88Å; S26-S29 WeakPolarHBondContact OG-CB 3.42Å; S26-S29 PolarHBondContact OG-N 3.35Å; S26-M32 PolarHBondContact N-O 3.2Å; S26-R127 PolarHBondContact O-NH2 2.65Å
27	H	91.3	Very high	88	Confident	60 Å²	60	59 Å²	59	28%	0.278	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-23	177.6	-60.3	-29.2	0	0	0	113.8	F10 T14 E17 Y210	F10-H27 WeakPolarHBondContact CB-O 3.36Å; T14-H27 VanDerWaalsContact CG2-CE1 3.44Å; T14-H27 WeakPolarHBondContact CG2-CE1 3.44Å; T14-H27 WeakPolarHBondContact CG2-ND1 3.42Å; E17-H27 IonicContact OE1-ND1 2.69Å; E17-H27 WeakPolarHBondContact OE2-CA 3.45Å; E17-H27 IonicContact OE2-CE1 3.47Å; E17-H27 PolarHBondContact OE2-CE1 2.9Å; E17-H27 IonicContact OE2-CG 2.78Å; E17-H27 PolarHBondContact OE2-N 3.14Å; E17-H27 IonicContact OE2-ND1 2.87Å; E17-H27 PolarHBondContact OE2-ND1 3.34Å; H27-Y210 HydrophobicContact CB-CD2 4.43Å; H27-Y210 HydrophobicContact CB-CE1 3.93Å; H27-Y210 HydrophobicContact CB-CE2 3.83Å; H27-Y210 AromaticContact CD2-CD1 3.98Å; H27-Y210 AromaticContact CD2-CD2 3.54Å; H27-Y210 AromaticContact CD2-CE2 3.84Å; H27-Y210 AromaticContact CD2-CG 3.63Å; H27-Y210 AromaticContact CG-CD1 3.97Å; H27-Y210 AromaticContact CG-CE1 3.85Å; H27-Y210 AromaticContact CG-CE2 3.97Å; H27-Y210 AromaticContact CG-CZ 3.85Å; H27-Y210 AromaticContact NE2-CG 3.83Å
28	S	91.3	Very high	88.3	Confident	79 Å²	79	64.5 Å²	64.5	55%	0.552	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.5	-2.8	-176	61.9	0	0	0	0	114	F10 S26	F10-S28 WeakPolarHBondContact CE2-O 3.46Å; S26-S28 PolarHBondContact O-N 3.06Å; S26-S28 VanDerWaalsContact O-N 3.17Å; S26-S28 PolarHBondContact OG-OG 3.35Å
29	S	94.2	Very high	89	Confident	18 Å²	18	65.4 Å²	65.4	13%	0.126	38%	0.376	C	S	.	.			trans	-91.3	130.5	-176.5	177.5	0	0	0	0	111.5	S26 K31 M32 R127	S26-S29 PolarHBondContact O-N 2.88Å; S26-S29 WeakPolarHBondContact OG-CB 3.42Å; S26-S29 PolarHBondContact OG-N 3.35Å; S29-K31 PolarHBondContact O-N 2.8Å; S29-K31 VanDerWaalsContact O-N 3.13Å; S29-K31 PolarHBondContact OG-N 2.86Å; S29-K31 VanDerWaalsContact OG-N 3.16Å; S29-M32 PolarHBondContact O-N 3.39Å; S29-M32 VanDerWaalsContact O-N 3.11Å; S29-R127 PolarHBondContact O-NE 3.5Å; S29-R127 PolarHBondContact O-NH2 2.81Å
30	P	95.7	Very high	89.8	Confident	26 Å²	26	64.7 Å²	64.7	17%	0.169	38%	0.379	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63	-20.1	171.8	28	-35.6	0	0	0	112.5	F10 R127 V130 E137	F10-P30 HydrophobicContact CE1-CB 4.28Å; F10-P30 HydrophobicContact CZ-CB 3.85Å; P30-R127 WeakPolarHBondContact O-CA 3.44Å; P30-R127 WeakPolarHBondContact O-CB 3.36Å; P30-R127 WeakPolarHBondContact O-CG 3.36Å; P30-V130 HydrophobicContact CB-CG1 4.31Å; P30-E137 HydrophobicContact CB-CG 3.88Å; P30-E137 HydrophobicContact CG-CG 4.32Å
31	K	96.3	Very high	90.6	Very high	74 Å²	74	62.8 Å²	62.8	32%	0.322	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.3	-1.8	178.8	-64.3	-172	172.2	-165.3	0	114.3	S29 Y33 V130 L131	S29-K31 PolarHBondContact O-N 2.8Å; S29-K31 VanDerWaalsContact O-N 3.13Å; S29-K31 PolarHBondContact OG-N 2.86Å; S29-K31 VanDerWaalsContact OG-N 3.16Å; K31-Y33 PolarHBondContact O-N 3.39Å; K31-V130 HydrophobicContact CG-CB 4.39Å; K31-V130 HydrophobicContact CG-CG1 3.89Å; K31-L131 HydrophobicContact CB-CB 4.07Å; K31-L131 HydrophobicContact CB-CD1 4.04Å; K31-L131 HydrophobicContact CD-CD1 4.17Å; K31-L131 HydrophobicContact CG-CB 4.37Å
32	M	94.8	Very high	92	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	35%	0.345	C	S	.	.	S	Bend	trans	66	-43.1	-177.1	-164.4	179.1	-86.4	0	0	116.4	S13 E17 P25 S26 S29 F124 R127 M128	S13-M32 WeakPolarHBondContact OG-CE 3.24Å; E17-M32 HydrophobicContact CB-CG 4.38Å; E17-M32 HydrophobicContact CG-CE 3.93Å; E17-M32 HydrophobicContact CG-CG 3.36Å; E17-M32 HydrophobicContact CG-SD 3.75Å; P25-M32 CarbonylContact C-O 3.45Å; S26-M32 PolarHBondContact N-O 3.2Å; S29-M32 PolarHBondContact O-N 3.39Å; S29-M32 VanDerWaalsContact O-N 3.11Å; M32-F124 HydrophobicContact CE-CB 4.18Å; M32-F124 HydrophobicContact CE-CD2 3.82Å; M32-F124 HydrophobicContact CE-CG 4.47Å; M32-F124 HydrophobicContact SD-CD2 3.6Å; M32-F124 VanDerWaalsContact SD-CD2 3.6Å; M32-F124 HydrophobicContact SD-CE2 4.05Å; M32-R127 VanDerWaalsContact CA-NH2 3.35Å; M32-R127 HydrophobicContact CB-CB 4.13Å; M32-R127 HydrophobicContact CE-CB 4.39Å; M32-R127 VanDerWaalsContact CE-NH1 3.29Å; M32-M128 HydrophobicContact CB-CE 3.49Å; M32-M128 VanDerWaalsContact CB-CE 3.49Å; M32-M128 HydrophobicContact CG-CE 4.19Å; M32-M128 HydrophobicContact SD-CE 3.86Å
33	Y	95.1	Very high	92.5	Very high	5 Å²	5	54.4 Å²	54.4	2%	0.02	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	136	-175.4	-57	-57.1	0	0	0	111.8	M16 N20 C23 L24 P25 K31 F39 F124 M128 L131	M16-Y33 PolarHBondContact O-OH 2.97Å; N20-Y33 HydrophobicContact CB-CE1 4.36Å; N20-Y33 PolarHBondContact ND2-OH 3.31Å; C23-Y33 HydrophobicContact CB-CD1 3.33Å; C23-Y33 HydrophobicContact CB-CD2 4.14Å; C23-Y33 HydrophobicContact CB-CE1 3.73Å; C23-Y33 HydrophobicContact CB-CE2 4.45Å; C23-Y33 HydrophobicContact CB-CG 3.58Å; L24-Y33 CarbonylContact O-C 3.58Å; L24-Y33 VanDerWaalsContact O-CA 3.32Å; L24-Y33 WeakPolarHBondContact O-CA 3.48Å; P25-Y33 HydrophobicContact CB-CE1 4.49Å; K31-Y33 PolarHBondContact O-N 3.39Å; Y33-F39 HydrophobicContact CD2-CD2 4.07Å; Y33-F39 HydrophobicContact CD2-CE2 4.37Å; Y33-F39 AromaticContact CE2-CD2 3.89Å; Y33-F39 HydrophobicContact CE2-CD2 3.89Å; Y33-F39 AromaticContact CE2-CE2 3.79Å; Y33-F39 HydrophobicContact CE2-CE2 3.79Å; Y33-F124 HydrophobicContact CE2-CE2 4.33Å; Y33-M128 HydrophobicContact CD2-CE 3.71Å; Y33-M128 HydrophobicContact CD2-SD 4.14Å; Y33-M128 HydrophobicContact CE2-CE 3.55Å; Y33-M128 HydrophobicContact CE2-SD 3.85Å; Y33-L131 HydrophobicContact CD2-CD2 4.12Å
34	L	92.4	Very high	92.7	Very high	84 Å²	84	57.8 Å²	57.8	44%	0.44	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	140.6	175.4	-59.6	178.5	0	0	0	110.2	L24 T36	L24-L34 HydrophobicContact CB-CB 4.42Å; L24-L34 HydrophobicContact CD2-CB 4.1Å; L24-L34 HydrophobicContact CD2-CD1 4.23Å; L24-L34 HydrophobicContact CG-CB 4.3Å; L24-L34 HydrophobicContact CG-CD1 4.47Å; L24-L34 PolarHBondContact O-N 3.32Å; L34-T36 PolarHBondContact O-N 2.9Å; L34-T36 VanDerWaalsContact O-N 3.07Å
35	G	90.6	Very high	92.8	Very high	84 Å²	84	55 Å²	55	87%	0.866	34%	0.337	S	S	*	.	S	Bend	trans	74.5	-13.4	179	0	0	0	0	0	115.1
36	T	91.2	Very high	93	Very high	36 Å²	36	55 Å²	55	22%	0.221	35%	0.346	C	S	.	.			trans	-77.9	131.8	172	-52.5	0	0	0	0	109.9	L34 F38 L131	L34-T36 PolarHBondContact O-N 2.9Å; L34-T36 VanDerWaalsContact O-N 3.07Å; T36-F38 WeakPolarHBondContact CG2-O 3.42Å; T36-L131 HydrophobicContact CG2-CD1 4.28Å; T36-L131 HydrophobicContact CG2-CD2 3.95Å; T36-L131 WeakPolarHBondContact O-CD1 3.48Å
37	C	89.2	Confident	93.3	Very high	110 Å²	110	54.3 Å²	54.3	74%	0.743	34%	0.341	S	S	*	.			trans	-100.2	-22.2	176.2	-66.1	0	0	0	0	113.2
38	F	93.5	Very high	93.6	Very high	118 Å²	118	56.4 Å²	56.4	52%	0.518	35%	0.354	S	S	.	.			trans	-156.3	144.6	-177.7	-175.6	-96.9	0	0	0	109.9	T36 D40 N132 W134	T36-F38 WeakPolarHBondContact CG2-O 3.42Å; F38-D40 HydrophobicContact CE1-CB 4.33Å; F38-N132 WeakPolarHBondContact CA-OD1 3.14Å; F38-N132 HydrophobicContact CD2-CB 4.03Å; F38-N132 WeakPolarHBondContact CD2-OD1 3.41Å; F38-N132 HydrophobicContact CE2-CB 3.95Å; F38-N132 VanDerWaalsContact CE2-CG 3.49Å; F38-W134 HydrophobicContact CE2-CZ2 4.3Å; F38-W134 HydrophobicContact CZ-CZ2 4.5Å
39	F	93.6	Very high	93.9	Very high	31 Å²	31	55.9 Å²	55.9	14%	0.136	35%	0.346	C	S	.	.			trans	-124.3	119.9	175.5	-167.1	-78.8	0	0	0	109.4	N20 Y33 L41 F124 M128 L131 N132	N20-F39 HydrophobicContact CB-CE2 4.41Å; Y33-F39 HydrophobicContact CD2-CD2 4.07Å; Y33-F39 HydrophobicContact CD2-CE2 4.37Å; Y33-F39 AromaticContact CE2-CD2 3.89Å; Y33-F39 HydrophobicContact CE2-CD2 3.89Å; Y33-F39 AromaticContact CE2-CE2 3.79Å; Y33-F39 HydrophobicContact CE2-CE2 3.79Å; F39-L41 HydrophobicContact CD1-CD2 3.8Å; F39-L41 HydrophobicContact CD1-CG 4.24Å; F39-L41 HydrophobicContact CE1-CD2 4Å; F39-L41 PolarHBondContact O-N 3.29Å; F39-F124 HydrophobicContact CD1-CZ 4.36Å; F39-F124 AromaticContact CE1-CZ 3.78Å; F39-F124 HydrophobicContact CE1-CZ 3.78Å; F39-F124 HydrophobicContact CZ-CE2 4.46Å; F39-F124 AromaticContact CZ-CZ 3.94Å; F39-F124 HydrophobicContact CZ-CZ 3.94Å; F39-M128 HydrophobicContact CB-SD 3.64Å; F39-M128 HydrophobicContact CD1-CG 4.31Å; F39-M128 HydrophobicContact CD1-SD 3.83Å; F39-M128 HydrophobicContact CD2-SD 3.72Å; F39-M128 HydrophobicContact CE1-SD 4.44Å; F39-M128 HydrophobicContact CE2-SD 4.33Å; F39-M128 HydrophobicContact CG-CG 4.46Å; F39-M128 HydrophobicContact CG-SD 3.43Å; F39-M128 WeakPolarHBondContact CG-SD 3.22Å; F39-L131 HydrophobicContact CB-CD2 3.67Å; F39-N132 PolarHBondContact N-OD1 3Å; F39-N132 PolarHBondContact O-ND2 3.47Å; F39-N132 PolarHBondContact O-OD1 2.69Å
40	D	93.2	Very high	94.1	Very high	76 Å²	76	58.4 Å²	58.4	41%	0.406	35%	0.352	S	S	.	.			trans	-70.8	115.9	179	175.8	35.6	0	0	0	111	F38 S42 S43	F38-D40 HydrophobicContact CE1-CB 4.33Å; D40-S42 WeakPolarHBondContact OD1-CB 3.4Å; D40-S42 PolarHBondContact OD1-N 3.21Å; D40-S43 WeakPolarHBondContact OD2-CB 3.39Å; D40-S43 PolarHBondContact OD2-OG 3.41Å
41	L	96	Very high	94.2	Very high	1 Å²	1	61.2 Å²	61.2	1%	0.005	37%	0.366	C	S	.	.			trans	-102.1	-8.9	173.4	-65.4	174.3	0	0	0	112.4	F39 W45 G46 I47 L53 F124 L125 M128 W134	F39-L41 HydrophobicContact CD1-CD2 3.8Å; F39-L41 HydrophobicContact CD1-CG 4.24Å; F39-L41 HydrophobicContact CE1-CD2 4Å; F39-L41 PolarHBondContact O-N 3.29Å; L41-W45 HydrophobicContact CB-CB 4.45Å; L41-W45 HydrophobicContact CD2-CG 4.23Å; L41-W45 CarbonylContact O-C 3.55Å; L41-W45 WeakPolarHBondContact O-CA 3.4Å; L41-W45 VanDerWaalsContact O-CB 3.25Å; L41-W45 WeakPolarHBondContact O-CB 3.5Å; L41-W45 PolarHBondContact O-N 3.11Å; L41-G46 PolarHBondContact O-N 2.87Å; L41-G46 VanDerWaalsContact O-N 3.16Å; L41-I47 CarbonylContact C-O 3.37Å; L41-I47 HydrophobicContact CB-CB 3.88Å; L41-I47 HydrophobicContact CB-CG2 4.35Å; L41-I47 HydrophobicContact CD1-CG2 4.28Å; L41-I47 PolarHBondContact O-N 3.38Å; L41-L53 HydrophobicContact CD1-CD1 3.87Å; L41-F124 HydrophobicContact CD2-CE1 3.98Å; L41-F124 HydrophobicContact CD2-CZ 4.39Å; L41-L125 HydrophobicContact CD1-CD2 4.12Å; L41-L125 HydrophobicContact CD2-CD2 4.07Å; L41-M128 HydrophobicContact CD1-CB 3.95Å; L41-M128 HydrophobicContact CD2-CB 4.42Å; L41-M128 HydrophobicContact CD2-CG 4.3Å; L41-W134 HydrophobicContact CD1-CZ3 3.91Å
42	S	95.7	Very high	94.3	Very high	46 Å²	46	59.4 Å²	59.4	32%	0.322	36%	0.36	S	S	.	.	H	α-helix	trans	-64.6	-50.1	-177.1	-168.5	0	0	0	0	110.8	D40 S44 G46 I47 D48	D40-S42 WeakPolarHBondContact OD1-CB 3.4Å; D40-S42 PolarHBondContact OD1-N 3.21Å; S42-S44 PolarHBondContact O-N 3.25Å; S42-G46 VanDerWaalsContact O-CA 3.27Å; S42-G46 WeakPolarHBondContact O-CA 3.33Å; S42-G46 PolarHBondContact O-N 3.38Å; S42-I47 PolarHBondContact N-O 2.96Å; S42-D48 WeakPolarHBondContact CB-OD1 3.21Å; S42-D48 PolarHBondContact OG-OD1 3.15Å
43	S	89.2	Confident	94.5	Very high	93 Å²	93	59.4 Å²	59.4	65%	0.65	36%	0.36	S	S	*	.	H	α-helix	trans	-63.4	-40.1	-175.1	54.1	0	0	0	0	114.9	D40	D40-S43 WeakPolarHBondContact OD2-CB 3.39Å; D40-S43 PolarHBondContact OD2-OG 3.41Å
44	S	88.1	Confident	94.6	Very high	98 Å²	98	59.9 Å²	59.9	69%	0.685	36%	0.362	S	S	*	.	H	α-helix	trans	-104	-21	-173.1	-62.9	0	0	0	0	114.2	S42	S42-S44 PolarHBondContact O-N 3.25Å
45	W	93.5	Very high	94.8	Very high	51 Å²	51	62.7 Å²	62.7	19%	0.193	37%	0.367	C	S	.	.	H	α-helix	trans	-124.6	-14.8	-175.1	-60.5	81.7	0	0	0	113.8	M16 L41 I47 M60 R121 F124 L125	M16-W45 HydrophobicContact CE-CH2 4.45Å; M16-W45 HydrophobicContact CE-CZ2 3.86Å; L41-W45 HydrophobicContact CB-CB 4.45Å; L41-W45 HydrophobicContact CD2-CG 4.23Å; L41-W45 CarbonylContact O-C 3.55Å; L41-W45 WeakPolarHBondContact O-CA 3.4Å; L41-W45 VanDerWaalsContact O-CB 3.25Å; L41-W45 WeakPolarHBondContact O-CB 3.5Å; L41-W45 PolarHBondContact O-N 3.11Å; W45-I47 VanDerWaalsContact C-N 3.33Å; W45-I47 HydrophobicContact CB-CB 4.4Å; W45-I47 HydrophobicContact CB-CD1 3.65Å; W45-I47 HydrophobicContact CB-CG1 3.82Å; W45-I47 HydrophobicContact CG-CD1 4.37Å; W45-M60 HydrophobicContact CZ3-SD 4.23Å; W45-R121 HydrophobicContact CH2-CB 3.86Å; W45-R121 HydrophobicContact CH2-CG 3.88Å; W45-R121 HydrophobicContact CZ3-CB 4.45Å; W45-F124 HydrophobicContact CH2-CD1 4.47Å; W45-F124 AromaticContact CZ2-CD1 4Å; W45-F124 HydrophobicContact CZ2-CD1 4Å; W45-F124 AromaticContact CZ2-CE1 3.95Å; W45-F124 HydrophobicContact CZ2-CE1 3.95Å; W45-F124 AromaticContact NE1-CE1 3.96Å; W45-L125 HydrophobicContact CD2-CD2 3.97Å; W45-L125 HydrophobicContact CE3-CD1 3.99Å; W45-L125 HydrophobicContact CE3-CD2 3.98Å; W45-L125 HydrophobicContact CE3-CG 4.35Å; W45-L125 HydrophobicContact CG-CD2 4.4Å; W45-L125 HydrophobicContact CH2-CD1 4.42Å; W45-L125 HydrophobicContact CH2-CD2 4.42Å; W45-L125 HydrophobicContact CH2-CG 4.33Å; W45-L125 HydrophobicContact CZ3-CD1 3.76Å; W45-L125 HydrophobicContact CZ3-CD2 4.19Å; W45-L125 HydrophobicContact CZ3-CG 4.11Å
46	G	96.4	Very high	95.1	Very high	49 Å²	49	59.5 Å²	59.5	51%	0.505	33%	0.331	S	S	.	.			trans	63.2	40.4	-172.5	0	0	0	0	0	111.9	L41 S42	L41-G46 PolarHBondContact O-N 2.87Å; L41-G46 VanDerWaalsContact O-N 3.16Å; S42-G46 VanDerWaalsContact O-CA 3.27Å; S42-G46 WeakPolarHBondContact O-CA 3.33Å; S42-G46 PolarHBondContact O-N 3.38Å
47	I	98.4	Very high	95.4	Very high	1 Å²	1	57.8 Å²	57.8	1%	0.005	32%	0.321	C	S	.	.			trans	-117.6	113.2	179.8	-61.1	170.8	0	0	0	108.3	L41 S42 W45 D52 L53 T56 L125 W134	L41-I47 CarbonylContact C-O 3.37Å; L41-I47 HydrophobicContact CB-CB 3.88Å; L41-I47 HydrophobicContact CB-CG2 4.35Å; L41-I47 HydrophobicContact CD1-CG2 4.28Å; L41-I47 PolarHBondContact O-N 3.38Å; S42-I47 PolarHBondContact N-O 2.96Å; W45-I47 VanDerWaalsContact C-N 3.33Å; W45-I47 HydrophobicContact CB-CB 4.4Å; W45-I47 HydrophobicContact CB-CD1 3.65Å; W45-I47 HydrophobicContact CB-CG1 3.82Å; W45-I47 HydrophobicContact CG-CD1 4.37Å; I47-D52 HydrophobicContact CB-CB 4.19Å; I47-D52 HydrophobicContact CG1-CB 4.41Å; I47-D52 HydrophobicContact CG2-CB 3.76Å; I47-L53 HydrophobicContact CD1-CD1 4.26Å; I47-L53 HydrophobicContact CG2-CB 3.9Å; I47-L53 HydrophobicContact CG2-CD1 4.2Å; I47-T56 HydrophobicContact CD1-CG2 4.02Å; I47-L125 HydrophobicContact CD1-CD1 4.28Å; I47-L125 HydrophobicContact CD1-CD2 3.78Å; I47-W134 HydrophobicContact CG2-CH2 4.25Å; I47-W134 HydrophobicContact CG2-CZ3 3.67Å
48	D	97.5	Very high	95.7	Very high	104 Å²	104	55.3 Å²	55.3	56%	0.556	30%	0.298	S	S	*	.			trans	-105.9	-19	-177.9	-67.3	-51.9	0	0	0	113.2	S42 D52 W134	S42-D48 WeakPolarHBondContact CB-OD1 3.21Å; S42-D48 PolarHBondContact OG-OD1 3.15Å; D48-D52 PolarHBondContact N-OD2 3.3Å; D48-W134 VanDerWaalsContact O-CZ2 3.23Å; D48-W134 WeakPolarHBondContact O-CZ2 3.13Å
49	D	98	Very high	95.7	Very high	69 Å²	69	56.5 Å²	56.5	37%	0.369	30%	0.299	S	S	.	.	S	Bend	trans	-147.9	-179.1	-176.7	66.6	38.9	0	0	0	114.6	D51 D52 L53	D49-D51 VanDerWaalsContact C-N 3.29Å; D49-D51 PolarHBondContact O-N 2.89Å; D49-D51 WeakPolarHBondContact OD1-CA 3.48Å; D49-D51 WeakPolarHBondContact OD1-CB 3.33Å; D49-D51 PolarHBondContact OD1-N 2.68Å; D49-D52 PolarHBondContact OD1-N 3.38Å; D49-L53 WeakPolarHBondContact O-CB 3.42Å; D49-L53 PolarHBondContact O-N 3.49Å
50	R	98.3	Very high	95.8	Very high	70 Å²	70	55.2 Å²	55.2	26%	0.264	29%	0.294	S	S	.	.	H	α-helix	trans	-58.1	-39.2	177.8	-178.6	-177.7	-177.1	-88.5	2.6	112.5	L53 L54 W134 L135 E139 T228	R50-L53 WeakPolarHBondContact O-CB 3.2Å; R50-L53 PolarHBondContact O-N 3.47Å; R50-L54 HydrophobicContact CG-CD1 4.17Å; R50-L54 WeakPolarHBondContact O-CG 3.42Å; R50-L54 PolarHBondContact O-N 2.98Å; R50-W134 HydrophobicContact CB-CB 4Å; R50-W134 HydrophobicContact CB-CG 4.41Å; R50-W134 WeakPolarHBondContact CD-O 3.45Å; R50-W134 HydrophobicContact CG-CB 4.38Å; R50-W134 WeakPolarHBondContact CG-O 3.32Å; R50-W134 PolarHBondContact NE-O 3.06Å; R50-L135 HydrophobicContact CG-CD2 4.39Å; R50-E139 IonicContact CZ-OE1 3.06Å; R50-E139 IonicContact NH2-OE1 3.29Å; R50-E139 PolarHBondContact NH2-OE1 3.18Å; R50-T228 PolarHBondContact NH2-O 2.89Å
51	D	97.8	Very high	95.5	Very high	85 Å²	85	52.2 Å²	52.2	46%	0.455	28%	0.277	S	S	.	.	H	α-helix	trans	-76	-39.4	-173.9	-69.3	-12.9	0	0	0	110.5	D49 L53 L54 R55	D49-D51 VanDerWaalsContact C-N 3.29Å; D49-D51 PolarHBondContact O-N 2.89Å; D49-D51 WeakPolarHBondContact OD1-CA 3.48Å; D49-D51 WeakPolarHBondContact OD1-CB 3.33Å; D49-D51 PolarHBondContact OD1-N 2.68Å; D51-L53 VanDerWaalsContact C-N 3.28Å; D51-L53 PolarHBondContact O-N 3.18Å; D51-L54 PolarHBondContact O-N 2.8Å; D51-R55 VanDerWaalsContact O-CB 3.31Å; D51-R55 WeakPolarHBondContact O-CB 3.39Å; D51-R55 VanDerWaalsContact O-CG 3.28Å; D51-R55 WeakPolarHBondContact O-CG 3.5Å; D51-R55 PolarHBondContact O-N 2.89Å
52	D	98	Very high	94.9	Very high	36 Å²	36	57.3 Å²	57.3	19%	0.193	31%	0.305	C	S	.	.	H	α-helix	trans	-58.2	-42.3	168.9	-77.8	-26.4	0	0	0	111.8	I47 D48 D49 R55 T56	I47-D52 HydrophobicContact CB-CB 4.19Å; I47-D52 HydrophobicContact CG1-CB 4.41Å; I47-D52 HydrophobicContact CG2-CB 3.76Å; D48-D52 PolarHBondContact N-OD2 3.3Å; D49-D52 PolarHBondContact OD1-N 3.38Å; D52-R55 IonicContact OD1-CZ 2.98Å; D52-R55 IonicContact OD1-NE 2.84Å; D52-R55 IonicContact OD1-NH2 3.37Å; D52-R55 PolarHBondContact OD1-NH2 2.87Å; D52-T56 VanDerWaalsContact O-CB 3.3Å; D52-T56 WeakPolarHBondContact O-CB 3.4Å; D52-T56 PolarHBondContact O-N 2.98Å; D52-T56 PolarHBondContact O-OG1 3.14Å
53	L	98.4	Very high	94.7	Very high	0 Å²	0	60.8 Å²	60.8	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-61.6	-52.8	179	-175	79.8	0	0	0	110.7	L41 I47 D49 R50 D51 T56 I57 L125 W134 L135	L41-L53 HydrophobicContact CD1-CD1 3.87Å; I47-L53 HydrophobicContact CD1-CD1 4.26Å; I47-L53 HydrophobicContact CG2-CB 3.9Å; I47-L53 HydrophobicContact CG2-CD1 4.2Å; D49-L53 WeakPolarHBondContact O-CB 3.42Å; D49-L53 PolarHBondContact O-N 3.49Å; R50-L53 WeakPolarHBondContact O-CB 3.2Å; R50-L53 PolarHBondContact O-N 3.47Å; D51-L53 VanDerWaalsContact C-N 3.28Å; D51-L53 PolarHBondContact O-N 3.18Å; L53-T56 PolarHBondContact O-N 3.45Å; L53-I57 HydrophobicContact CD2-CD1 4.48Å; L53-I57 HydrophobicContact CG-CD1 4.04Å; L53-I57 WeakPolarHBondContact O-CG1 3.28Å; L53-I57 PolarHBondContact O-N 3.34Å; L53-L125 HydrophobicContact CD1-CB 3.92Å; L53-L125 HydrophobicContact CD1-CD2 4.08Å; L53-L125 HydrophobicContact CD1-CG 4.49Å; L53-W134 HydrophobicContact CB-CE3 4.22Å; L53-W134 HydrophobicContact CD2-CE3 4.24Å; L53-L135 HydrophobicContact CD2-CD1 3.67Å; L53-L135 HydrophobicContact CD2-CD2 4.48Å; L53-L135 HydrophobicContact CD2-CG 3.85Å
54	L	98	Very high	94.9	Very high	15 Å²	15	56.8 Å²	56.8	8%	0.079	29%	0.293	C	S	.	.	H	α-helix	trans	-64.7	-42.6	-178.9	-71.4	177.7	0	0	0	111.7	R50 D51 T56 I57 H58 L135 I143 L229 M232	R50-L54 HydrophobicContact CG-CD1 4.17Å; R50-L54 WeakPolarHBondContact O-CG 3.42Å; R50-L54 PolarHBondContact O-N 2.98Å; D51-L54 PolarHBondContact O-N 2.8Å; L54-T56 VanDerWaalsContact C-N 3.31Å; L54-T56 PolarHBondContact O-N 3.37Å; L54-I57 PolarHBondContact O-N 3.44Å; L54-H58 WeakPolarHBondContact O-CB 3.47Å; L54-H58 PolarHBondContact O-N 2.89Å; L54-L135 HydrophobicContact CD2-CD2 3.97Å; L54-L135 HydrophobicContact CG-CD2 4.38Å; L54-I143 HydrophobicContact CD2-CD1 3.99Å; L54-L229 HydrophobicContact CD1-CD2 3.85Å; L54-L229 HydrophobicContact CD2-CD2 3.74Å; L54-L229 HydrophobicContact CG-CD2 4.48Å; L54-M232 HydrophobicContact CB-SD 4.4Å; L54-M232 HydrophobicContact CD2-CE 4.4Å; L54-M232 WeakPolarHBondContact O-CE 3.27Å
55	R	96.1	Very high	95.1	Very high	143 Å²	143	55.5 Å²	55.5	54%	0.54	28%	0.276	S	S	.	.	H	α-helix	trans	-58.8	-42.8	173.7	-77.9	-170.5	-66.6	-98.1	4.2	111.9	D51 D52 H58 R59	D51-R55 VanDerWaalsContact O-CB 3.31Å; D51-R55 WeakPolarHBondContact O-CB 3.39Å; D51-R55 VanDerWaalsContact O-CG 3.28Å; D51-R55 WeakPolarHBondContact O-CG 3.5Å; D51-R55 PolarHBondContact O-N 2.89Å; D52-R55 IonicContact OD1-CZ 2.98Å; D52-R55 IonicContact OD1-NE 2.84Å; D52-R55 IonicContact OD1-NH2 3.37Å; D52-R55 PolarHBondContact OD1-NH2 2.87Å; R55-H58 PolarHBondContact O-N 3.41Å; R55-R59 WeakPolarHBondContact O-CB 3.31Å; R55-R59 PolarHBondContact O-N 3.14Å
56	T	97.3	Very high	95.2	Very high	18 Å²	18	53.2 Å²	53.2	11%	0.11	27%	0.268	C	S	.	.	H	α-helix	trans	-66.3	-45.5	179.8	-61.4	0	0	0	0	111.3	I47 D52 L53 L54 R59 M60 L125	I47-T56 HydrophobicContact CD1-CG2 4.02Å; D52-T56 VanDerWaalsContact O-CB 3.3Å; D52-T56 WeakPolarHBondContact O-CB 3.4Å; D52-T56 PolarHBondContact O-N 2.98Å; D52-T56 PolarHBondContact O-OG1 3.14Å; L53-T56 PolarHBondContact O-N 3.45Å; L54-T56 VanDerWaalsContact C-N 3.31Å; L54-T56 PolarHBondContact O-N 3.37Å; T56-R59 PolarHBondContact O-N 3.49Å; T56-M60 HydrophobicContact CG2-SD 4.17Å; T56-M60 VanDerWaalsContact O-CG 3.29Å; T56-M60 WeakPolarHBondContact O-CG 3.42Å; T56-M60 PolarHBondContact O-N 2.97Å; T56-M60 VanDerWaalsContact O-N 3.14Å; T56-L125 HydrophobicContact CG2-CD1 3.8Å
57	I	97.2	Very high	95.1	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-60	-49.1	175.6	-69.9	169.7	0	0	0	110.4	L53 L54 R59 M60 M122 L125 I143 M232 L235	L53-I57 HydrophobicContact CD2-CD1 4.48Å; L53-I57 HydrophobicContact CG-CD1 4.04Å; L53-I57 WeakPolarHBondContact O-CG1 3.28Å; L53-I57 PolarHBondContact O-N 3.34Å; L54-I57 PolarHBondContact O-N 3.44Å; I57-R59 PolarHBondContact O-N 3.44Å; I57-M60 PolarHBondContact O-N 3.46Å; I57-M122 HydrophobicContact CG2-CE 3.88Å; I57-L125 HydrophobicContact CD1-CB 3.94Å; I57-L125 HydrophobicContact CG1-CB 3.83Å; I57-L125 HydrophobicContact CG1-CD1 4.09Å; I57-I143 HydrophobicContact CD1-CD1 4.45Å; I57-I143 HydrophobicContact CG2-CG2 3.93Å; I57-M232 HydrophobicContact CG2-CE 4.38Å; I57-L235 HydrophobicContact CG2-CD1 4.33Å
58	H	95	Very high	94.9	Very high	58 Å²	58	58.7 Å²	58.7	27%	0.269	28%	0.283	S	S	.	.	H	α-helix	trans	-57.9	-50.4	179.3	-165.8	-92.1	0	0	0	111.1	L54 R55 M60 I61 M232 D234	L54-H58 WeakPolarHBondContact O-CB 3.47Å; L54-H58 PolarHBondContact O-N 2.89Å; R55-H58 PolarHBondContact O-N 3.41Å; H58-M60 VanDerWaalsContact C-N 3.28Å; H58-M60 PolarHBondContact O-N 2.94Å; H58-I61 WeakPolarHBondContact O-CB 3.45Å; H58-I61 WeakPolarHBondContact O-CG2 3.33Å; H58-I61 PolarHBondContact O-N 3.07Å; H58-M232 HydrophobicContact CB-CE 3.55Å; H58-M232 HydrophobicContact CB-SD 3.75Å; H58-M232 VanDerWaalsContact CD2-SD 3.56Å; H58-D234 IonicContact CD2-OD1 2.68Å; H58-D234 IonicContact CE1-OD1 3.49Å; H58-D234 IonicContact CE1-OD2 3.54Å; H58-D234 IonicContact NE2-OD1 3.89Å; H58-D234 PolarHBondContact NE2-OD1 3.11Å; H58-D234 IonicContact NE2-OD2 3.71Å; H58-D234 PolarHBondContact NE2-OD2 3.21Å
59	R	94.3	Very high	94.8	Very high	142 Å²	142	53.8 Å²	53.8	54%	0.536	26%	0.257	S	S	.	.	H	α-helix	trans	-56.4	-41.7	179.7	-176.6	-171.1	68.1	-174.8	-4	112.3	R55 T56 I57 I61 N63	R55-R59 WeakPolarHBondContact O-CB 3.31Å; R55-R59 PolarHBondContact O-N 3.14Å; T56-R59 PolarHBondContact O-N 3.49Å; I57-R59 PolarHBondContact O-N 3.44Å; R59-I61 PolarHBondContact O-N 2.98Å; R59-N63 HydrophobicContact CG-CB 4.05Å; R59-N63 CarbonylContact O-C 3.57Å; R59-N63 VanDerWaalsContact O-CA 3.28Å; R59-N63 WeakPolarHBondContact O-CA 3.37Å; R59-N63 VanDerWaalsContact O-CB 3.31Å; R59-N63 WeakPolarHBondContact O-CB 3.25Å; R59-N63 PolarHBondContact O-N 3.31Å
60	M	95	Very high	94.7	Very high	5 Å²	5	52.1 Å²	52.1	3%	0.025	25%	0.252	C	S	.	.	H	α-helix	trans	-66.9	-15	-174.5	-75.2	-176.6	65.5	0	0	114.1	W45 T56 I57 H58 G64 D118 R121 M122 L125	W45-M60 HydrophobicContact CZ3-SD 4.23Å; T56-M60 HydrophobicContact CG2-SD 4.17Å; T56-M60 VanDerWaalsContact O-CG 3.29Å; T56-M60 WeakPolarHBondContact O-CG 3.42Å; T56-M60 PolarHBondContact O-N 2.97Å; T56-M60 VanDerWaalsContact O-N 3.14Å; I57-M60 PolarHBondContact O-N 3.46Å; H58-M60 VanDerWaalsContact C-N 3.28Å; H58-M60 PolarHBondContact O-N 2.94Å; M60-G64 PolarHBondContact O-N 3.42Å; M60-D118 HydrophobicContact CE-CB 3.99Å; M60-R121 HydrophobicContact CE-CB 3.52Å; M60-R121 HydrophobicContact CE-CG 4.4Å; M60-M122 HydrophobicContact CB-CG 3.77Å; M60-M122 HydrophobicContact CB-SD 4.1Å; M60-M122 HydrophobicContact CE-CG 4.42Å; M60-L125 HydrophobicContact SD-CD1 4.3Å
61	I	87.1	Confident	94.5	Very high	13 Å²	13	50.3 Å²	50.3	7%	0.067	26%	0.256	C	S	.	.	H	α-helix	trans	-63.3	-46.4	-178.3	-162.8	58.3	0	0	0	113	H58 R59 Y119 M122 R150	H58-I61 WeakPolarHBondContact O-CB 3.45Å; H58-I61 WeakPolarHBondContact O-CG2 3.33Å; H58-I61 PolarHBondContact O-N 3.07Å; R59-I61 PolarHBondContact O-N 2.98Å; I61-Y119 HydrophobicContact CD1-CE1 4.17Å; I61-M122 HydrophobicContact CB-CE 4.28Å; I61-M122 HydrophobicContact CD1-CE 3.78Å; I61-M122 HydrophobicContact CD1-SD 4.19Å; I61-R150 VanDerWaalsContact CD1-NE 3.32Å
62	D	84.2	Confident	94.5	Very high	108 Å²	108	47.3 Å²	47.3	58%	0.578	24%	0.238	S	C	*	.	H	α-helix	trans	-118.9	-20.5	-176.8	-69.9	-37.9	0	0	0	112.3	A67	D62-A67 WeakPolarHBondContact O-CB 3.32Å
63	N	90.9	Very high	94.5	Very high	119 Å²	119	45.7 Å²	45.7	64%	0.636	23%	0.23	S	C	*	.	H	α-helix	trans	-121.2	30.7	-177.1	-56.3	-65.7	0	0	0	112.2	R59	R59-N63 HydrophobicContact CG-CB 4.05Å; R59-N63 CarbonylContact O-C 3.57Å; R59-N63 VanDerWaalsContact O-CA 3.28Å; R59-N63 WeakPolarHBondContact O-CA 3.37Å; R59-N63 VanDerWaalsContact O-CB 3.31Å; R59-N63 WeakPolarHBondContact O-CB 3.25Å; R59-N63 PolarHBondContact O-N 3.31Å
64	G	92.9	Very high	94.4	Very high	8 Å²	8	50.5 Å²	50.5	8%	0.082	25%	0.252	C	S	.	.	S	Bend	trans	-73.8	-178.6	166.7	0	0	0	0	0	112.9	M60 A66 A67 D118	M60-G64 PolarHBondContact O-N 3.42Å; G64-A66 PolarHBondContact O-N 3.44Å; G64-A67 VanDerWaalsContact O-CB 3.31Å; G64-A67 WeakPolarHBondContact O-CB 3.39Å; G64-A67 PolarHBondContact O-N 3.12Å; G64-D118 WeakPolarHBondContact CA-OD2 3.22Å
65	H	92.9	Very high	94.3	Very high	72 Å²	72	53.6 Å²	53.6	33%	0.333	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-27.5	-178.5	-64.3	-13.9	0	0	0	112.6	A67 R68 W117 D118 R121 Y171 W172	H65-A67 PolarHBondContact O-N 2.77Å; H65-R68 PolarHBondContact O-N 2.85Å; H65-W117 AromaticContact CD2-NE1 3.47Å; H65-W117 PolarHBondContact CD2-NE1 3.46Å; H65-D118 PolarHBondContact N-OD1 2.91Å; H65-D118 PolarHBondContact N-OD2 3.36Å; H65-D118 VanDerWaalsContact N-OD2 3.11Å; H65-R121 PolarHBondContact CD2-NH1 3.4Å; H65-R121 VanDerWaalsContact CD2-NH1 3.34Å; H65-R121 PolarHBondContact NE2-NH1 2.65Å; H65-Y171 HydrophobicContact CB-CE1 4.43Å; H65-W172 AromaticContact CD2-CD1 3.2Å; H65-W172 AromaticContact CD2-NE1 3.91Å; H65-W172 AromaticContact NE2-CD1 3.41Å; H65-W172 AromaticContact NE2-NE1 3.65Å
66	A	95.7	Very high	94.4	Very high	3 Å²	3	50.2 Å²	50.2	3%	0.025	25%	0.25	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-23.7	177.3	0	0	0	0	0	113.1	G64 R68 L69 A70 I114 K115 D118	G64-A66 PolarHBondContact O-N 3.44Å; A66-R68 PolarHBondContact O-N 2.91Å; A66-L69 PolarHBondContact O-N 2.89Å; A66-A70 PolarHBondContact O-N 3.49Å; A66-I114 HydrophobicContact CB-CD1 4.28Å; A66-I114 HydrophobicContact CB-CG1 3.82Å; A66-K115 HydrophobicContact CB-CB 4.46Å; A66-K115 HydrophobicContact CB-CG 4.13Å; A66-D118 WeakPolarHBondContact CB-OD2 3.09Å; A66-D118 PolarHBondContact N-OD2 2.9Å
67	A	94.6	Very high	94.3	Very high	46 Å²	46	52.6 Å²	52.6	38%	0.38	26%	0.259	S	S	.	.	H	α-helix	trans	-56.7	-35.7	179.6	0	0	0	0	0	112.1	D62 G64 H65 L69 A70	D62-A67 WeakPolarHBondContact O-CB 3.32Å; G64-A67 VanDerWaalsContact O-CB 3.31Å; G64-A67 WeakPolarHBondContact O-CB 3.39Å; G64-A67 PolarHBondContact O-N 3.12Å; H65-A67 PolarHBondContact O-N 2.77Å; A67-L69 VanDerWaalsContact C-N 3.29Å; A67-L69 PolarHBondContact O-N 3.04Å; A67-A70 PolarHBondContact O-N 2.87Å
68	R	93.3	Very high	94.3	Very high	119 Å²	119	58.4 Å²	58.4	45%	0.449	28%	0.281	S	S	.	.	H	α-helix	trans	-65.3	-30	179.3	-175.6	155	174.3	-166.1	17.7	113.2	H65 A66 Y171 D177	H65-R68 PolarHBondContact O-N 2.85Å; A66-R68 PolarHBondContact O-N 2.91Å; R68-Y171 WeakPolarHBondContact CB-OH 3.44Å; R68-Y171 WeakPolarHBondContact CD-OH 3.34Å; R68-Y171 VanDerWaalsContact CG-OH 3.26Å; R68-Y171 WeakPolarHBondContact CG-OH 3.33Å; R68-D177 IonicContact CZ-OD2 3.38Å; R68-D177 IonicContact NH1-OD1 3.7Å; R68-D177 IonicContact NH1-OD2 3.1Å; R68-D177 PolarHBondContact NH1-OD2 3.15Å; R68-D177 VanDerWaalsContact NH1-OD2 3.1Å; R68-D177 IonicContact NH2-OD1 3.83Å; R68-D177 IonicContact NH2-OD2 2.7Å; R68-D177 PolarHBondContact NH2-OD2 3.09Å
69	L	95.7	Very high	94.4	Very high	0 Å²	0	59.8 Å²	59.8	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-99.8	-10.3	177.5	-60.9	-166.1	0	0	0	114.2	A66 A67 G71 F72 Y73 Y98 F101 V102 I114 Y171	A66-L69 PolarHBondContact O-N 2.89Å; A67-L69 VanDerWaalsContact C-N 3.29Å; A67-L69 PolarHBondContact O-N 3.04Å; L69-G71 VanDerWaalsContact C-N 3.3Å; L69-G71 PolarHBondContact O-N 3.16Å; L69-F72 HydrophobicContact CD2-CD2 4.09Å; L69-F72 HydrophobicContact CD2-CE2 4.35Å; L69-F72 WeakPolarHBondContact O-CB 3.39Å; L69-F72 PolarHBondContact O-N 3.41Å; L69-Y73 HydrophobicContact CB-CD2 4.13Å; L69-Y73 HydrophobicContact CB-CE2 4.08Å; L69-Y73 HydrophobicContact CD1-CE2 4.44Å; L69-Y73 WeakPolarHBondContact O-CD2 3.05Å; L69-Y73 PolarHBondContact O-N 2.55Å; L69-Y73 VanDerWaalsContact O-N 3.16Å; L69-Y98 HydrophobicContact CD2-CD1 4.21Å; L69-Y98 HydrophobicContact CD2-CD2 4.39Å; L69-Y98 HydrophobicContact CD2-CG 3.9Å; L69-F101 HydrophobicContact CD1-CD1 3.92Å; L69-F101 HydrophobicContact CD1-CE1 4.02Å; L69-V102 HydrophobicContact CB-CG2 4.45Å; L69-V102 HydrophobicContact CD1-CG2 4.29Å; L69-I114 HydrophobicContact CB-CD1 4.22Å; L69-I114 HydrophobicContact CB-CG1 4.3Å; L69-I114 HydrophobicContact CD1-CD1 3.76Å; L69-I114 HydrophobicContact CD1-CG1 4.35Å; L69-I114 HydrophobicContact CG-CD1 4.11Å; L69-Y171 HydrophobicContact CD1-CD1 4.37Å; L69-Y171 HydrophobicContact CD1-CD2 3.7Å; L69-Y171 HydrophobicContact CD1-CE2 4Å; L69-Y171 HydrophobicContact CD1-CG 3.9Å; L69-Y171 HydrophobicContact CD2-CD2 4.47Å; L69-Y171 HydrophobicContact CD2-CE2 3.98Å; L69-Y171 HydrophobicContact CG-CD2 4.21Å; L69-Y171 HydrophobicContact CG-CE1 4.43Å; L69-Y171 HydrophobicContact CG-CE2 3.98Å
70	A	95.2	Very high	94.6	Very high	34 Å²	34	55.3 Å²	55.3	28%	0.281	28%	0.275	S	S	.	.	H	α-helix	trans	-57.1	-40.6	-173.5	0	0	0	0	0	113	A66 A67 F72 Y73 H74	A66-A70 PolarHBondContact O-N 3.49Å; A67-A70 PolarHBondContact O-N 2.87Å; A70-F72 VanDerWaalsContact C-N 3.34Å; A70-F72 PolarHBondContact O-N 3.48Å; A70-Y73 PolarHBondContact O-N 3.27Å; A70-H74 VanDerWaalsContact O-CB 3.31Å; A70-H74 WeakPolarHBondContact O-CB 3.42Å; A70-H74 PolarHBondContact O-N 3.26Å
71	G	95.3	Very high	94.6	Very high	32 Å²	32	60.5 Å²	60.5	33%	0.33	31%	0.309	S	S	.	.	H	α-helix	trans	-65.1	-34.2	177.6	0	0	0	0	0	113.6	L69 R75	L69-G71 VanDerWaalsContact C-N 3.3Å; L69-G71 PolarHBondContact O-N 3.16Å; G71-R75 WeakPolarHBondContact O-CG 3.38Å; G71-R75 PolarHBondContact O-N 3.39Å; G71-R75 VanDerWaalsContact O-N 3.16Å; G71-R75 PolarHBondContact O-NH1 3.44Å
72	F	97.4	Very high	95.2	Very high	22 Å²	22	62.9 Å²	62.9	10%	0.096	33%	0.326	C	S	.	.	H	α-helix	trans	-69.5	-48.7	176.6	-66	-83.4	0	0	0	111	L69 A70 H74 R75 W76 W84 Y87 L91 A99 V102	L69-F72 HydrophobicContact CD2-CD2 4.09Å; L69-F72 HydrophobicContact CD2-CE2 4.35Å; L69-F72 WeakPolarHBondContact O-CB 3.39Å; L69-F72 PolarHBondContact O-N 3.41Å; A70-F72 VanDerWaalsContact C-N 3.34Å; A70-F72 PolarHBondContact O-N 3.48Å; F72-H74 VanDerWaalsContact C-N 3.33Å; F72-H74 PolarHBondContact O-N 2.95Å; F72-R75 PolarHBondContact O-N 2.9Å; F72-W76 WeakPolarHBondContact O-CB 3.43Å; F72-W76 PolarHBondContact O-N 3.25Å; F72-W84 HydrophobicContact CD1-CH2 4.47Å; F72-Y87 AromaticContact CD1-CE1 3.87Å; F72-Y87 HydrophobicContact CD1-CE1 3.87Å; F72-Y87 WeakPolarHBondContact CD1-OH 3.5Å; F72-Y87 HydrophobicContact CE1-CE1 4.09Å; F72-Y87 WeakPolarHBondContact CE1-OH 3.45Å; F72-L91 HydrophobicContact CE1-CD1 3.72Å; F72-L91 HydrophobicContact CE1-CD2 4.12Å; F72-L91 HydrophobicContact CZ-CD2 4.41Å; F72-A99 HydrophobicContact CD1-CB 3.76Å; F72-A99 HydrophobicContact CE1-CB 3.89Å; F72-V102 HydrophobicContact CB-CB 4.1Å; F72-V102 HydrophobicContact CB-CG1 3.93Å; F72-V102 HydrophobicContact CB-CG2 3.65Å; F72-V102 HydrophobicContact CG-CG2 4.41Å
73	Y	97.6	Very high	95.8	Very high	3 Å²	3	62.3 Å²	62.3	1%	0.012	32%	0.32	C	S	.	.	H	α-helix	trans	-60.2	-44.2	176.4	-80.1	-77.1	0	0	0	111.3	L69 A70 R75 W76 F77 V102 T105 A106 C109 G113 I114	L69-Y73 HydrophobicContact CB-CD2 4.13Å; L69-Y73 HydrophobicContact CB-CE2 4.08Å; L69-Y73 HydrophobicContact CD1-CE2 4.44Å; L69-Y73 WeakPolarHBondContact O-CD2 3.05Å; L69-Y73 PolarHBondContact O-N 2.55Å; L69-Y73 VanDerWaalsContact O-N 3.16Å; A70-Y73 PolarHBondContact O-N 3.27Å; Y73-R75 VanDerWaalsContact C-N 3.33Å; Y73-R75 PolarHBondContact O-N 3.34Å; Y73-W76 PolarHBondContact O-N 3.45Å; Y73-F77 WeakPolarHBondContact O-CD2 3.16Å; Y73-F77 PolarHBondContact O-N 2.8Å; Y73-V102 HydrophobicContact CD1-CG1 3.82Å; Y73-V102 HydrophobicContact CD2-CG1 4.22Å; Y73-V102 HydrophobicContact CD2-CG2 4Å; Y73-V102 HydrophobicContact CE1-CG1 4.03Å; Y73-V102 HydrophobicContact CE2-CG1 4.42Å; Y73-V102 HydrophobicContact CE2-CG2 3.76Å; Y73-V102 HydrophobicContact CG-CG1 3.92Å; Y73-T105 PolarHBondContact OH-OG1 3.16Å; Y73-A106 HydrophobicContact CD1-CB 4.26Å; Y73-A106 HydrophobicContact CE1-CB 4.2Å; Y73-C109 HydrophobicContact CE1-CB 4.24Å; Y73-G113 VanDerWaalsContact CD1-CA 3.46Å; Y73-G113 VanDerWaalsContact CE1-CA 3.44Å; Y73-I114 HydrophobicContact CE2-CG1 4.31Å; Y73-I114 HydrophobicContact CE2-CG2 4.07Å
74	H	95.8	Very high	96.1	Very high	100 Å²	100	57.8 Å²	57.8	46%	0.463	29%	0.294	S	S	.	.	H	α-helix	trans	-58	-44.4	178.9	-177.6	80.3	0	0	0	112.7	A70 F72 R78	A70-H74 VanDerWaalsContact O-CB 3.31Å; A70-H74 WeakPolarHBondContact O-CB 3.42Å; A70-H74 PolarHBondContact O-N 3.26Å; F72-H74 VanDerWaalsContact C-N 3.33Å; F72-H74 PolarHBondContact O-N 2.95Å; H74-R78 VanDerWaalsContact CE1-CD 3.49Å; H74-R78 WeakPolarHBondContact CE1-CD 3.09Å; H74-R78 PolarHBondContact CE1-NE 2.84Å; H74-R78 PolarHBondContact ND1-NH1 3.46Å; H74-R78 VanDerWaalsContact ND1-NH1 3.17Å; H74-R78 WeakPolarHBondContact NE2-CD 3.45Å; H74-R78 WeakPolarHBondContact O-CD 3.44Å; H74-R78 WeakPolarHBondContact O-CG 2.97Å; H74-R78 PolarHBondContact O-NH1 3.01Å
75	R	96.9	Very high	96.3	Very high	80 Å²	80	64.4 Å²	64.4	30%	0.302	32%	0.316	S	S	.	.	H	α-helix	trans	-69.9	-41.8	177.5	-72.2	-179.8	-169.3	102.5	-1.6	112.2	G71 F72 Y73 F77 R78 Y79 W84 Y87	G71-R75 WeakPolarHBondContact O-CG 3.38Å; G71-R75 PolarHBondContact O-N 3.39Å; G71-R75 VanDerWaalsContact O-N 3.16Å; G71-R75 PolarHBondContact O-NH1 3.44Å; F72-R75 PolarHBondContact O-N 2.9Å; Y73-R75 VanDerWaalsContact C-N 3.33Å; Y73-R75 PolarHBondContact O-N 3.34Å; R75-F77 VanDerWaalsContact C-N 3.25Å; R75-F77 PolarHBondContact O-N 3.31Å; R75-R78 PolarHBondContact O-N 3.45Å; R75-Y79 HydrophobicContact CB-CD1 4.44Å; R75-Y79 HydrophobicContact CB-CD2 4.01Å; R75-Y79 HydrophobicContact CB-CE1 4.42Å; R75-Y79 HydrophobicContact CB-CE2 3.98Å; R75-Y79 HydrophobicContact CB-CG 4.25Å; R75-Y79 HydrophobicContact CG-CD2 4.43Å; R75-Y79 HydrophobicContact CG-CE1 4.13Å; R75-Y79 HydrophobicContact CG-CE2 3.9Å; R75-Y79 WeakPolarHBondContact O-CB 3.15Å; R75-Y79 PolarHBondContact O-N 2.91Å; R75-W84 HydrophobicContact CB-CE3 4.45Å; R75-W84 HydrophobicContact CB-CZ3 4.11Å; R75-Y87 PolarHBondContact NH1-OH 2.77Å
76	W	97.3	Very high	96.6	Very high	72 Å²	72	65.2 Å²	65.2	27%	0.273	32%	0.323	S	S	.	.	H	α-helix	trans	-52.2	-43.9	179.6	176.8	-95.2	0	0	0	112.5	F72 Y73 R78 W84 V102 A103 A106	F72-W76 WeakPolarHBondContact O-CB 3.43Å; F72-W76 PolarHBondContact O-N 3.25Å; Y73-W76 PolarHBondContact O-N 3.45Å; W76-R78 VanDerWaalsContact C-N 3.3Å; W76-R78 PolarHBondContact O-N 2.98Å; W76-W84 HydrophobicContact CB-CH2 4.43Å; W76-W84 HydrophobicContact CB-CZ3 4.19Å; W76-W84 AromaticContact CE3-CD2 3.77Å; W76-W84 HydrophobicContact CE3-CD2 3.77Å; W76-W84 AromaticContact CE3-CE2 3.5Å; W76-W84 HydrophobicContact CE3-CE3 4.2Å; W76-W84 HydrophobicContact CE3-CG 4.22Å; W76-W84 HydrophobicContact CE3-CH2 4.15Å; W76-W84 AromaticContact CE3-CZ2 3.71Å; W76-W84 HydrophobicContact CE3-CZ2 3.71Å; W76-W84 HydrophobicContact CE3-CZ3 4.38Å; W76-W84 AromaticContact CE3-NE1 3.81Å; W76-W84 AromaticContact CZ3-CD1 3.83Å; W76-W84 HydrophobicContact CZ3-CD2 4.16Å; W76-W84 AromaticContact CZ3-CE2 3.72Å; W76-W84 HydrophobicContact CZ3-CG 4.23Å; W76-W84 HydrophobicContact CZ3-CZ2 4.19Å; W76-W84 AromaticContact CZ3-NE1 3.49Å; W76-V102 HydrophobicContact CB-CG1 4.3Å; W76-A103 HydrophobicContact CD2-CB 4.37Å; W76-A103 HydrophobicContact CE3-CB 3.71Å; W76-A103 HydrophobicContact CH2-CB 3.54Å; W76-A103 HydrophobicContact CZ2-CB 4.21Å; W76-A103 HydrophobicContact CZ3-CB 3.26Å; W76-A106 HydrophobicContact CD2-CB 4.44Å; W76-A106 HydrophobicContact CG-CB 3.94Å; W76-A106 VanDerWaalsContact NE1-CB 3.28Å
77	F	95.7	Very high	96.6	Very high	68 Å²	68	66.1 Å²	66.1	30%	0.298	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.2	-3.4	180	-74.7	-77.1	0	0	0	115	Y73 R75 A106 G110 E111	Y73-F77 WeakPolarHBondContact O-CD2 3.16Å; Y73-F77 PolarHBondContact O-N 2.8Å; R75-F77 VanDerWaalsContact C-N 3.25Å; R75-F77 PolarHBondContact O-N 3.31Å; F77-A106 HydrophobicContact CE2-CB 3.89Å; F77-A106 HydrophobicContact CZ-CB 3.92Å; F77-A106 WeakPolarHBondContact CZ-O 3.48Å; F77-G110 WeakPolarHBondContact CE2-O 3.49Å; F77-G110 VanDerWaalsContact CZ-C 3.48Å; F77-E111 HydrophobicContact CB-CG 3.86Å; F77-E111 HydrophobicContact CD1-CG 4.09Å; F77-E111 HydrophobicContact CD2-CB 4.25Å; F77-E111 HydrophobicContact CD2-CG 3.65Å; F77-E111 HydrophobicContact CE2-CG 4.2Å; F77-E111 HydrophobicContact CG-CG 3.59Å
78	R	96.7	Very high	96.7	Very high	122 Å²	122	66.4 Å²	66.4	46%	0.46	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-123.4	-25.6	-174	-72.8	172.9	177.6	69.3	8.6	113.8	H74 R75 W76 E111	H74-R78 VanDerWaalsContact CE1-CD 3.49Å; H74-R78 WeakPolarHBondContact CE1-CD 3.09Å; H74-R78 PolarHBondContact CE1-NE 2.84Å; H74-R78 PolarHBondContact ND1-NH1 3.46Å; H74-R78 VanDerWaalsContact ND1-NH1 3.17Å; H74-R78 WeakPolarHBondContact NE2-CD 3.45Å; H74-R78 WeakPolarHBondContact O-CD 3.44Å; H74-R78 WeakPolarHBondContact O-CG 2.97Å; H74-R78 PolarHBondContact O-NH1 3.01Å; R75-R78 PolarHBondContact O-N 3.45Å; W76-R78 VanDerWaalsContact C-N 3.3Å; W76-R78 PolarHBondContact O-N 2.98Å; R78-E111 IonicContact CZ-OE2 3.99Å; R78-E111 IonicContact NH1-OE2 3.44Å; R78-E111 PolarHBondContact NH1-OE2 2.93Å; R78-E111 IonicContact NH2-OE2 2.64Å; R78-E111 PolarHBondContact NH2-OE2 2.84Å
79	Y	97.9	Very high	96.8	Very high	88 Å²	88	64.6 Å²	64.6	35%	0.345	33%	0.331	S	S	.	.	S	Bend	trans	-82.8	140.4	179.2	-76.9	6.2	0	0	0	110.6	R75 E83 W84 Y87	R75-Y79 HydrophobicContact CB-CD1 4.44Å; R75-Y79 HydrophobicContact CB-CD2 4.01Å; R75-Y79 HydrophobicContact CB-CE1 4.42Å; R75-Y79 HydrophobicContact CB-CE2 3.98Å; R75-Y79 HydrophobicContact CB-CG 4.25Å; R75-Y79 HydrophobicContact CG-CD2 4.43Å; R75-Y79 HydrophobicContact CG-CE1 4.13Å; R75-Y79 HydrophobicContact CG-CE2 3.9Å; R75-Y79 WeakPolarHBondContact O-CB 3.15Å; R75-Y79 PolarHBondContact O-N 2.91Å; Y79-E83 HydrophobicContact CD1-CB 4.36Å; Y79-E83 HydrophobicContact CD2-CB 3.94Å; Y79-E83 HydrophobicContact CG-CB 3.81Å; Y79-W84 HydrophobicContact CD2-CE3 4.38Å; Y79-Y87 HydrophobicContact CE2-CD1 4.44Å; Y79-Y87 HydrophobicContact CE2-CG 4.06Å
80	S	97.8	Very high	96.9	Very high	48 Å²	48	72.1 Å²	72.1	34%	0.336	37%	0.366	S	S	.	.			trans	-63.1	160.6	160.1	66.2	0	0	0	0	110.5	C82 E83 W84	S80-C82 PolarHBondContact O-N 2.98Å; S80-C82 VanDerWaalsContact O-N 3.11Å; S80-E83 VanDerWaalsContact CB-OE2 3.27Å; S80-E83 WeakPolarHBondContact CB-OE2 3.38Å; S80-E83 PolarHBondContact N-OE2 3.07Å; S80-E83 PolarHBondContact O-N 2.94Å; S80-E83 VanDerWaalsContact O-N 3.12Å; S80-E83 WeakPolarHBondContact OG-CG 3.4Å; S80-E83 PolarHBondContact OG-N 3.25Å; S80-E83 PolarHBondContact OG-OE2 3.07Å; S80-W84 PolarHBondContact O-N 2.9Å
81	P	96.3	Very high	96.9	Very high	113 Å²	113	72 Å²	72	73%	0.734	36%	0.361	S	S	*	.	H	α-helix	trans	-55.6	-30.4	175.5	-28.5	36.1	0	0	0	114.1	R85	P81-R85 WeakPolarHBondContact O-CB 3.23Å; P81-R85 PolarHBondContact O-N 3.31Å; P81-R85 VanDerWaalsContact O-N 3.1Å
82	C	98.1	Very high	96.9	Very high	64 Å²	64	75.4 Å²	75.4	43%	0.432	37%	0.372	S	S	.	.	H	α-helix	trans	-70.1	-50.2	175.4	-67.2	0	0	0	0	111.6	S80 W84 R85 D86	S80-C82 PolarHBondContact O-N 2.98Å; S80-C82 VanDerWaalsContact O-N 3.11Å; C82-W84 VanDerWaalsContact C-N 3.29Å; C82-W84 PolarHBondContact O-N 3.1Å; C82-R85 WeakPolarHBondContact O-CB 3.27Å; C82-R85 PolarHBondContact O-N 2.93Å; C82-R85 VanDerWaalsContact O-N 3.16Å; C82-R85 PolarHBondContact SG-NH2 3.42Å; C82-D86 PolarHBondContact O-N 3.38Å
83	E	98.4	Very high	96.6	Very high	96 Å²	96	80.4 Å²	80.4	45%	0.449	40%	0.395	S	S	.	.	H	α-helix	trans	-61.8	-38	177.6	-70.1	162.4	129.6	0	0	111.8	Y79 S80 D86 Y87	Y79-E83 HydrophobicContact CD1-CB 4.36Å; Y79-E83 HydrophobicContact CD2-CB 3.94Å; Y79-E83 HydrophobicContact CG-CB 3.81Å; S80-E83 VanDerWaalsContact CB-OE2 3.27Å; S80-E83 WeakPolarHBondContact CB-OE2 3.38Å; S80-E83 PolarHBondContact N-OE2 3.07Å; S80-E83 PolarHBondContact O-N 2.94Å; S80-E83 VanDerWaalsContact O-N 3.12Å; S80-E83 WeakPolarHBondContact OG-CG 3.4Å; S80-E83 PolarHBondContact OG-N 3.25Å; S80-E83 PolarHBondContact OG-OE2 3.07Å; E83-D86 PolarHBondContact O-N 2.92Å; E83-Y87 VanDerWaalsContact O-CB 3.27Å; E83-Y87 WeakPolarHBondContact O-CB 3.47Å; E83-Y87 PolarHBondContact O-N 3.34Å
84	W	97.4	Very high	96.3	Very high	24 Å²	24	82.2 Å²	82.2	9%	0.091	40%	0.404	C	S	.	.	H	α-helix	trans	-62.8	-45	174.2	-178.2	-104.9	0	0	0	111.8	F72 R75 W76 Y79 S80 C82 Y87 L88 A99 A103	F72-W84 HydrophobicContact CD1-CH2 4.47Å; R75-W84 HydrophobicContact CB-CE3 4.45Å; R75-W84 HydrophobicContact CB-CZ3 4.11Å; W76-W84 HydrophobicContact CB-CH2 4.43Å; W76-W84 HydrophobicContact CB-CZ3 4.19Å; W76-W84 AromaticContact CE3-CD2 3.77Å; W76-W84 HydrophobicContact CE3-CD2 3.77Å; W76-W84 AromaticContact CE3-CE2 3.5Å; W76-W84 HydrophobicContact CE3-CE3 4.2Å; W76-W84 HydrophobicContact CE3-CG 4.22Å; W76-W84 HydrophobicContact CE3-CH2 4.15Å; W76-W84 AromaticContact CE3-CZ2 3.71Å; W76-W84 HydrophobicContact CE3-CZ2 3.71Å; W76-W84 HydrophobicContact CE3-CZ3 4.38Å; W76-W84 AromaticContact CE3-NE1 3.81Å; W76-W84 AromaticContact CZ3-CD1 3.83Å; W76-W84 HydrophobicContact CZ3-CD2 4.16Å; W76-W84 AromaticContact CZ3-CE2 3.72Å; W76-W84 HydrophobicContact CZ3-CG 4.23Å; W76-W84 HydrophobicContact CZ3-CZ2 4.19Å; W76-W84 AromaticContact CZ3-NE1 3.49Å; Y79-W84 HydrophobicContact CD2-CE3 4.38Å; S80-W84 PolarHBondContact O-N 2.9Å; C82-W84 VanDerWaalsContact C-N 3.29Å; C82-W84 PolarHBondContact O-N 3.1Å; W84-Y87 AromaticContact CE3-CD1 3.91Å; W84-Y87 HydrophobicContact CE3-CD1 3.91Å; W84-Y87 HydrophobicContact CE3-CE1 4.46Å; W84-Y87 HydrophobicContact CH2-CD1 4.45Å; W84-Y87 HydrophobicContact CH2-CE1 4.32Å; W84-Y87 AromaticContact CZ3-CD1 3.83Å; W84-Y87 HydrophobicContact CZ3-CD1 3.83Å; W84-Y87 AromaticContact CZ3-CE1 3.91Å; W84-Y87 HydrophobicContact CZ3-CE1 3.91Å; W84-Y87 PolarHBondContact O-N 3.36Å; W84-L88 HydrophobicContact CZ2-CD2 4.07Å; W84-L88 VanDerWaalsContact O-CG 3.29Å; W84-L88 WeakPolarHBondContact O-CG 3.43Å; W84-L88 PolarHBondContact O-N 3.31Å; W84-A99 HydrophobicContact CH2-CB 4.02Å; W84-A99 HydrophobicContact CZ2-CB 3.78Å; W84-A103 HydrophobicContact CZ2-CB 4.34Å
85	R	96.7	Very high	96.3	Very high	146 Å²	146	77.7 Å²	77.7	55%	0.551	38%	0.384	S	S	*	.	H	α-helix	trans	-61.9	-43.3	176	175.9	-175.8	58	-139.8	-11.3	112	P81 C82 Y87 L88 A89	P81-R85 WeakPolarHBondContact O-CB 3.23Å; P81-R85 PolarHBondContact O-N 3.31Å; P81-R85 VanDerWaalsContact O-N 3.1Å; C82-R85 WeakPolarHBondContact O-CB 3.27Å; C82-R85 PolarHBondContact O-N 2.93Å; C82-R85 VanDerWaalsContact O-N 3.16Å; C82-R85 PolarHBondContact SG-NH2 3.42Å; R85-Y87 VanDerWaalsContact C-N 3.34Å; R85-L88 WeakPolarHBondContact O-CB 3.44Å; R85-L88 PolarHBondContact O-N 2.84Å; R85-A89 PolarHBondContact O-N 3.16Å
86	D	97.7	Very high	96.2	Very high	90 Å²	90	77.2 Å²	77.2	48%	0.481	39%	0.386	S	S	.	.	H	α-helix	trans	-66.1	-41.9	180	-62.2	-12.8	0	0	0	110	C82 E83 L88 A89 E90	C82-D86 PolarHBondContact O-N 3.38Å; E83-D86 PolarHBondContact O-N 2.92Å; D86-L88 PolarHBondContact O-N 3.07Å; D86-A89 WeakPolarHBondContact O-CB 3.48Å; D86-A89 PolarHBondContact O-N 2.99Å; D86-A89 VanDerWaalsContact O-N 3.13Å; D86-E90 PolarHBondContact O-N 3.33Å
87	Y	96.9	Very high	96	Very high	22 Å²	22	74 Å²	74	9%	0.086	37%	0.374	C	S	.	.	H	α-helix	trans	-60.1	-42	171.9	173.2	-118.9	0	0	0	113	F72 R75 Y79 E83 W84 R85 A89 E90 L91	F72-Y87 AromaticContact CD1-CE1 3.87Å; F72-Y87 HydrophobicContact CD1-CE1 3.87Å; F72-Y87 WeakPolarHBondContact CD1-OH 3.5Å; F72-Y87 HydrophobicContact CE1-CE1 4.09Å; F72-Y87 WeakPolarHBondContact CE1-OH 3.45Å; R75-Y87 PolarHBondContact NH1-OH 2.77Å; Y79-Y87 HydrophobicContact CE2-CD1 4.44Å; Y79-Y87 HydrophobicContact CE2-CG 4.06Å; E83-Y87 VanDerWaalsContact O-CB 3.27Å; E83-Y87 WeakPolarHBondContact O-CB 3.47Å; E83-Y87 PolarHBondContact O-N 3.34Å; W84-Y87 AromaticContact CE3-CD1 3.91Å; W84-Y87 HydrophobicContact CE3-CD1 3.91Å; W84-Y87 HydrophobicContact CE3-CE1 4.46Å; W84-Y87 HydrophobicContact CH2-CD1 4.45Å; W84-Y87 HydrophobicContact CH2-CE1 4.32Å; W84-Y87 AromaticContact CZ3-CD1 3.83Å; W84-Y87 HydrophobicContact CZ3-CD1 3.83Å; W84-Y87 AromaticContact CZ3-CE1 3.91Å; W84-Y87 HydrophobicContact CZ3-CE1 3.91Å; W84-Y87 PolarHBondContact O-N 3.36Å; R85-Y87 VanDerWaalsContact C-N 3.34Å; Y87-A89 PolarHBondContact O-N 3.03Å; Y87-E90 PolarHBondContact O-N 2.89Å; Y87-E90 VanDerWaalsContact O-N 3.12Å; Y87-L91 HydrophobicContact CD1-CD1 4.39Å; Y87-L91 HydrophobicContact CE1-CD1 3.95Å; Y87-L91 HydrophobicContact CE2-CD2 3.95Å; Y87-L91 HydrophobicContact CE2-CG 4.31Å; Y87-L91 WeakPolarHBondContact O-CG 3.47Å
88	L	96.3	Very high	96	Very high	51 Å²	51	71 Å²	71	27%	0.267	36%	0.361	S	S	.	.	H	α-helix	trans	-59.5	-33.9	175.5	-73	178.8	0	0	0	112.4	W84 R85 D86 E90 L91 Q96 A99	W84-L88 HydrophobicContact CZ2-CD2 4.07Å; W84-L88 VanDerWaalsContact O-CG 3.29Å; W84-L88 WeakPolarHBondContact O-CG 3.43Å; W84-L88 PolarHBondContact O-N 3.31Å; R85-L88 WeakPolarHBondContact O-CB 3.44Å; R85-L88 PolarHBondContact O-N 2.84Å; D86-L88 PolarHBondContact O-N 3.07Å; L88-E90 VanDerWaalsContact C-N 3.26Å; L88-E90 PolarHBondContact O-N 3.29Å; L88-L91 HydrophobicContact CD2-CD1 4.11Å; L88-L91 PolarHBondContact O-N 3.13Å; L88-Q96 PolarHBondContact O-NE2 3.4Å; L88-A99 HydrophobicContact CD2-CB 3.31Å
89	A	96.3	Very high	95.9	Very high	81 Å²	81	65.2 Å²	65.2	67%	0.669	34%	0.339	S	S	*	.	H	α-helix	trans	-70.7	-21	179.2	0	0	0	0	0	113.2	R85 D86 Y87	R85-A89 PolarHBondContact O-N 3.16Å; D86-A89 WeakPolarHBondContact O-CB 3.48Å; D86-A89 PolarHBondContact O-N 2.99Å; D86-A89 VanDerWaalsContact O-N 3.13Å; Y87-A89 PolarHBondContact O-N 3.03Å
90	E	96.4	Very high	95.8	Very high	158 Å²	158	66.7 Å²	66.7	74%	0.738	35%	0.349	S	S	*	.	H	α-helix	trans	-84.9	-15.4	177.1	-63	177.3	172.7	0	0	113.2	D86 Y87 L88	D86-E90 PolarHBondContact O-N 3.33Å; Y87-E90 PolarHBondContact O-N 2.89Å; Y87-E90 VanDerWaalsContact O-N 3.12Å; L88-E90 VanDerWaalsContact C-N 3.26Å; L88-E90 PolarHBondContact O-N 3.29Å
91	L	96.3	Very high	95.7	Very high	31 Å²	31	64.6 Å²	64.6	16%	0.162	33%	0.334	C	S	.	.	S	Bend	trans	-83.2	144.3	-175.7	-64.9	171.5	0	0	0	111.9	F72 Y87 L88 Q96 A99	F72-L91 HydrophobicContact CE1-CD1 3.72Å; F72-L91 HydrophobicContact CE1-CD2 4.12Å; F72-L91 HydrophobicContact CZ-CD2 4.41Å; Y87-L91 HydrophobicContact CD1-CD1 4.39Å; Y87-L91 HydrophobicContact CE1-CD1 3.95Å; Y87-L91 HydrophobicContact CE2-CD2 3.95Å; Y87-L91 HydrophobicContact CE2-CG 4.31Å; Y87-L91 WeakPolarHBondContact O-CG 3.47Å; L88-L91 HydrophobicContact CD2-CD1 4.11Å; L88-L91 PolarHBondContact O-N 3.13Å; L91-Q96 HydrophobicContact CB-CG 3.9Å; L91-Q96 PolarHBondContact O-NE2 2.67Å; L91-A99 HydrophobicContact CD1-CB 3.88Å
92	N	94.6	Very high	95.7	Very high	104 Å²	104	59.2 Å²	59.2	56%	0.556	30%	0.299	S	S	*	.			trans	-64.4	167.2	162.9	70.1	8.1	0	0	0	110.6	Q94 G95 Q96	N92-Q94 PolarHBondContact O-N 3.27Å; N92-Q94 VanDerWaalsContact O-N 3.14Å; N92-Q94 PolarHBondContact OD1-N 2.83Å; N92-G95 PolarHBondContact O-N 2.88Å; N92-G95 PolarHBondContact OD1-N 3.07Å; N92-Q96 WeakPolarHBondContact O-CG 3.13Å; N92-Q96 PolarHBondContact O-N 3.07Å
93	E	92.3	Very high	95.6	Very high	128 Å²	128	57.4 Å²	57.4	60%	0.598	29%	0.289	S	S	*	.	H	α-helix	trans	-58.9	-34.1	-173.9	-58.7	-173.4	112.2	0	0	113.3	Q96 A97 L180 R184	E93-Q96 WeakPolarHBondContact O-CB 3.33Å; E93-Q96 PolarHBondContact O-N 3.14Å; E93-A97 PolarHBondContact O-N 3.48Å; E93-L180 HydrophobicContact CB-CD1 4.32Å; E93-L180 HydrophobicContact CB-CD2 3.4Å; E93-L180 VanDerWaalsContact CB-CD2 3.4Å; E93-L180 HydrophobicContact CG-CD2 4.21Å; E93-L180 WeakPolarHBondContact OE2-CD2 3.38Å; E93-R184 PolarHBondContact O-NH2 2.89Å
94	Q	91.5	Very high	95.5	Very high	40 Å²	40	55.3 Å²	55.3	19%	0.187	28%	0.284	C	S	.	.	H	α-helix	trans	-67	-47	175.5	-173.1	-167.6	13.7	0	0	112	N92 Q96 A97 Y98 D177 L180 L183	N92-Q94 PolarHBondContact O-N 3.27Å; N92-Q94 VanDerWaalsContact O-N 3.14Å; N92-Q94 PolarHBondContact OD1-N 2.83Å; Q94-Q96 PolarHBondContact O-N 3.41Å; Q94-A97 WeakPolarHBondContact O-CB 3.48Å; Q94-A97 PolarHBondContact O-N 3.44Å; Q94-Y98 HydrophobicContact CG-CD2 4.22Å; Q94-Y98 HydrophobicContact CG-CE2 3.65Å; Q94-Y98 PolarHBondContact NE2-OH 3.19Å; Q94-Y98 PolarHBondContact O-N 2.87Å; Q94-D177 VanDerWaalsContact NE2-CB 3.3Å; Q94-D177 PolarHBondContact NE2-OD1 3.35Å; Q94-D177 PolarHBondContact NE2-OD2 3.48Å; Q94-L180 HydrophobicContact CB-CD1 4.45Å; Q94-L183 HydrophobicContact CG-CD2 4.21Å
95	G	94.3	Very high	95.4	Very high	5 Å²	5	54.1 Å²	54.1	5%	0.052	28%	0.28	C	S	.	.	H	α-helix	trans	-58	-37.9	174.7	0	0	0	0	0	111.4	N92 Y98 A99	N92-G95 PolarHBondContact O-N 2.88Å; N92-G95 PolarHBondContact OD1-N 3.07Å; G95-Y98 PolarHBondContact O-N 3.42Å; G95-A99 VanDerWaalsContact O-CB 3.25Å; G95-A99 WeakPolarHBondContact O-CB 3.34Å; G95-A99 PolarHBondContact O-N 3.32Å
96	Q	94.9	Very high	95.4	Very high	71 Å²	71	47.2 Å²	47.2	33%	0.332	25%	0.254	S	S	.	.	H	α-helix	trans	-65.2	-38.7	173.3	-66.5	177.6	6.7	0	0	112.6	L88 L91 N92 E93 Q94 A99 Q100	L88-Q96 PolarHBondContact O-NE2 3.4Å; L91-Q96 HydrophobicContact CB-CG 3.9Å; L91-Q96 PolarHBondContact O-NE2 2.67Å; N92-Q96 WeakPolarHBondContact O-CG 3.13Å; N92-Q96 PolarHBondContact O-N 3.07Å; E93-Q96 WeakPolarHBondContact O-CB 3.33Å; E93-Q96 PolarHBondContact O-N 3.14Å; Q94-Q96 PolarHBondContact O-N 3.41Å; Q96-A99 PolarHBondContact O-N 3.29Å; Q96-Q100 WeakPolarHBondContact O-CB 3.4Å; Q96-Q100 PolarHBondContact O-N 3.06Å
97	A	93.3	Very high	95.2	Very high	3 Å²	3	49.9 Å²	49.9	3%	0.025	26%	0.263	C	S	.	.	H	α-helix	trans	-62.1	-45	175.2	0	0	0	0	0	111.4	E93 Q94 Q100 F101 L180 L183 R184	E93-A97 PolarHBondContact O-N 3.48Å; Q94-A97 WeakPolarHBondContact O-CB 3.48Å; Q94-A97 PolarHBondContact O-N 3.44Å; A97-Q100 PolarHBondContact O-N 3.47Å; A97-F101 PolarHBondContact O-N 2.74Å; A97-L180 HydrophobicContact CB-CD1 4.19Å; A97-L183 HydrophobicContact CB-CD2 4.42Å; A97-R184 HydrophobicContact CB-CG 3.72Å
98	Y	95.3	Very high	95.1	Very high	6 Å²	6	52 Å²	52	2%	0.024	28%	0.281	C	S	.	.	H	α-helix	trans	-67.2	-39.8	175.3	-64.7	-38.5	0	0	0	113	L69 Q94 G95 Q100 F101 V102 Y171 D177 L183 L187	L69-Y98 HydrophobicContact CD2-CD1 4.21Å; L69-Y98 HydrophobicContact CD2-CD2 4.39Å; L69-Y98 HydrophobicContact CD2-CG 3.9Å; Q94-Y98 HydrophobicContact CG-CD2 4.22Å; Q94-Y98 HydrophobicContact CG-CE2 3.65Å; Q94-Y98 PolarHBondContact NE2-OH 3.19Å; Q94-Y98 PolarHBondContact O-N 2.87Å; G95-Y98 PolarHBondContact O-N 3.42Å; Y98-Q100 VanDerWaalsContact C-N 3.32Å; Y98-Q100 PolarHBondContact O-N 2.88Å; Y98-F101 WeakPolarHBondContact O-CB 3.42Å; Y98-F101 PolarHBondContact O-N 2.75Å; Y98-V102 WeakPolarHBondContact O-CB 3.39Å; Y98-V102 WeakPolarHBondContact O-CG2 3.35Å; Y98-V102 PolarHBondContact O-N 3.49Å; Y98-Y171 HydrophobicContact CD1-CD2 4.36Å; Y98-Y171 AromaticContact CD1-CE2 3.99Å; Y98-Y171 HydrophobicContact CD1-CE2 3.99Å; Y98-Y171 HydrophobicContact CE1-CD2 4.14Å; Y98-Y171 AromaticContact CE1-CE2 3.59Å; Y98-Y171 HydrophobicContact CE1-CE2 3.59Å; Y98-D177 PolarHBondContact OH-OD1 2.96Å; Y98-L183 HydrophobicContact CE1-CD1 4.24Å; Y98-L183 HydrophobicContact CE1-CD2 4.08Å; Y98-L187 HydrophobicContact CD1-CD1 3.96Å; Y98-L187 HydrophobicContact CE1-CD1 4.2Å
99	A	96.2	Very high	95	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-64.1	-39	176.4	0	0	0	0	0	111.4	F72 W84 L88 L91 G95 Q96 V102 A103	F72-A99 HydrophobicContact CD1-CB 3.76Å; F72-A99 HydrophobicContact CE1-CB 3.89Å; W84-A99 HydrophobicContact CH2-CB 4.02Å; W84-A99 HydrophobicContact CZ2-CB 3.78Å; L88-A99 HydrophobicContact CD2-CB 3.31Å; L91-A99 HydrophobicContact CD1-CB 3.88Å; G95-A99 VanDerWaalsContact O-CB 3.25Å; G95-A99 WeakPolarHBondContact O-CB 3.34Å; G95-A99 PolarHBondContact O-N 3.32Å; Q96-A99 PolarHBondContact O-N 3.29Å; A99-V102 PolarHBondContact O-N 2.98Å; A99-A103 VanDerWaalsContact O-CB 3.32Å; A99-A103 WeakPolarHBondContact O-CB 3.42Å; A99-A103 PolarHBondContact O-N 2.87Å
100	Q	94.7	Very high	94.8	Very high	119 Å²	119	46 Å²	46	56%	0.556	24%	0.24	S	C	*	.	H	α-helix	trans	-65.3	-42.9	173.8	-174.8	176.2	13.5	0	0	111.8	Q96 A97 Y98 A103 S104	Q96-Q100 WeakPolarHBondContact O-CB 3.4Å; Q96-Q100 PolarHBondContact O-N 3.06Å; A97-Q100 PolarHBondContact O-N 3.47Å; Y98-Q100 VanDerWaalsContact C-N 3.32Å; Y98-Q100 PolarHBondContact O-N 2.88Å; Q100-A103 PolarHBondContact O-N 3.16Å; Q100-S104 VanDerWaalsContact O-CB 3.3Å; Q100-S104 WeakPolarHBondContact O-CB 3.4Å; Q100-S104 PolarHBondContact O-N 3.1Å; Q100-S104 VanDerWaalsContact O-N 3.11Å; Q100-S104 PolarHBondContact O-OG 3.2Å
101	F	95.8	Very high	94.6	Very high	5 Å²	5	43.1 Å²	43.1	2%	0.022	23%	0.226	C	C	.	.	H	α-helix	trans	-56.3	-53.2	173.4	176.7	-110.4	0	0	0	110.7	L69 A97 Y98 A103 S104 T105 F167 L187	L69-F101 HydrophobicContact CD1-CD1 3.92Å; L69-F101 HydrophobicContact CD1-CE1 4.02Å; A97-F101 PolarHBondContact O-N 2.74Å; Y98-F101 WeakPolarHBondContact O-CB 3.42Å; Y98-F101 PolarHBondContact O-N 2.75Å; F101-A103 PolarHBondContact O-N 3.24Å; F101-S104 CarbonylContact O-C 3.55Å; F101-S104 WeakPolarHBondContact O-CA 3.43Å; F101-S104 PolarHBondContact O-N 3.26Å; F101-S104 PolarHBondContact O-OG 3.4Å; F101-T105 HydrophobicContact CD2-CG2 4.14Å; F101-T105 HydrophobicContact CE2-CG2 3.83Å; F101-T105 HydrophobicContact CZ-CG2 4.08Å; F101-T105 WeakPolarHBondContact O-CG2 3.49Å; F101-T105 PolarHBondContact O-N 3.32Å; F101-T105 VanDerWaalsContact O-N 3.15Å; F101-T105 PolarHBondContact O-OG1 2.92Å; F101-T105 VanDerWaalsContact O-OG1 3.09Å; F101-F167 HydrophobicContact CE2-CD1 4.34Å; F101-F167 HydrophobicContact CZ-CB 3.91Å; F101-F167 HydrophobicContact CZ-CD1 4.29Å; F101-F167 WeakPolarHBondContact CZ-O 3.06Å; F101-L187 HydrophobicContact CB-CB 4.28Å; F101-L187 HydrophobicContact CB-CD1 4.06Å; F101-L187 HydrophobicContact CD1-CD2 4.48Å; F101-L187 HydrophobicContact CD2-CB 3.83Å; F101-L187 HydrophobicContact CD2-CD2 3.86Å; F101-L187 HydrophobicContact CD2-CG 4.3Å; F101-L187 HydrophobicContact CE2-CD2 3.99Å; F101-L187 HydrophobicContact CG-CB 4.29Å; F101-L187 HydrophobicContact CG-CD1 4.3Å; F101-L187 HydrophobicContact CG-CD2 4.1Å; F101-L187 HydrophobicContact CG-CG 4.47Å; F101-L187 HydrophobicContact CZ-CD2 4.35Å
102	V	96.9	Very high	94.4	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-56.3	-50	178.3	167.2	0	0	0	0	112.2	L69 F72 Y73 W76 Y98 A99 S104 T105 A106	L69-V102 HydrophobicContact CB-CG2 4.45Å; L69-V102 HydrophobicContact CD1-CG2 4.29Å; F72-V102 HydrophobicContact CB-CB 4.1Å; F72-V102 HydrophobicContact CB-CG1 3.93Å; F72-V102 HydrophobicContact CB-CG2 3.65Å; F72-V102 HydrophobicContact CG-CG2 4.41Å; Y73-V102 HydrophobicContact CD1-CG1 3.82Å; Y73-V102 HydrophobicContact CD2-CG1 4.22Å; Y73-V102 HydrophobicContact CD2-CG2 4Å; Y73-V102 HydrophobicContact CE1-CG1 4.03Å; Y73-V102 HydrophobicContact CE2-CG1 4.42Å; Y73-V102 HydrophobicContact CE2-CG2 3.76Å; Y73-V102 HydrophobicContact CG-CG1 3.92Å; W76-V102 HydrophobicContact CB-CG1 4.3Å; Y98-V102 WeakPolarHBondContact O-CB 3.39Å; Y98-V102 WeakPolarHBondContact O-CG2 3.35Å; Y98-V102 PolarHBondContact O-N 3.49Å; A99-V102 PolarHBondContact O-N 2.98Å; V102-S104 PolarHBondContact O-N 3Å; V102-S104 VanDerWaalsContact O-N 3.15Å; V102-T105 PolarHBondContact O-N 2.9Å; V102-T105 VanDerWaalsContact O-N 3.16Å; V102-T105 PolarHBondContact O-OG1 2.94Å; V102-A106 VanDerWaalsContact O-CB 3.26Å; V102-A106 WeakPolarHBondContact O-CB 3.34Å; V102-A106 PolarHBondContact O-N 3.39Å
103	A	95.8	Very high	94.5	Very high	26 Å²	26	36.9 Å²	36.9	22%	0.215	19%	0.194	C	C	.	.	H	α-helix	trans	-55.8	-34	177.7	0	0	0	0	0	112	W76 W84 A99 Q100 F101	W76-A103 HydrophobicContact CD2-CB 4.37Å; W76-A103 HydrophobicContact CE3-CB 3.71Å; W76-A103 HydrophobicContact CH2-CB 3.54Å; W76-A103 HydrophobicContact CZ2-CB 4.21Å; W76-A103 HydrophobicContact CZ3-CB 3.26Å; W84-A103 HydrophobicContact CZ2-CB 4.34Å; A99-A103 VanDerWaalsContact O-CB 3.32Å; A99-A103 WeakPolarHBondContact O-CB 3.42Å; A99-A103 PolarHBondContact O-N 2.87Å; Q100-A103 PolarHBondContact O-N 3.16Å; F101-A103 PolarHBondContact O-N 3.24Å
104	S	94.9	Very high	94.8	Very high	51 Å²	51	30.9 Å²	30.9	36%	0.357	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.8	-5.1	-175.2	84.4	0	0	0	0	114.8	Q100 F101 V102 K190	Q100-S104 VanDerWaalsContact O-CB 3.3Å; Q100-S104 WeakPolarHBondContact O-CB 3.4Å; Q100-S104 PolarHBondContact O-N 3.1Å; Q100-S104 VanDerWaalsContact O-N 3.11Å; Q100-S104 PolarHBondContact O-OG 3.2Å; F101-S104 CarbonylContact O-C 3.55Å; F101-S104 WeakPolarHBondContact O-CA 3.43Å; F101-S104 PolarHBondContact O-N 3.26Å; F101-S104 PolarHBondContact O-OG 3.4Å; V102-S104 PolarHBondContact O-N 3Å; V102-S104 VanDerWaalsContact O-N 3.15Å; S104-K190 PolarHBondContact O-NZ 2.93Å; S104-K190 VanDerWaalsContact O-NZ 3.09Å; S104-K190 WeakPolarHBondContact OG-CE 3.2Å; S104-K190 PolarHBondContact OG-NZ 3.45Å
105	T	96.2	Very high	95	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-123.8	-16.5	-179.4	57.2	0	0	0	0	113.1	Y73 F101 V102 E107 C108 C109 F167	Y73-T105 PolarHBondContact OH-OG1 3.16Å; F101-T105 HydrophobicContact CD2-CG2 4.14Å; F101-T105 HydrophobicContact CE2-CG2 3.83Å; F101-T105 HydrophobicContact CZ-CG2 4.08Å; F101-T105 WeakPolarHBondContact O-CG2 3.49Å; F101-T105 PolarHBondContact O-N 3.32Å; F101-T105 VanDerWaalsContact O-N 3.15Å; F101-T105 PolarHBondContact O-OG1 2.92Å; F101-T105 VanDerWaalsContact O-OG1 3.09Å; V102-T105 PolarHBondContact O-N 2.9Å; V102-T105 VanDerWaalsContact O-N 3.16Å; V102-T105 PolarHBondContact O-OG1 2.94Å; T105-E107 VanDerWaalsContact C-N 3.34Å; T105-E107 PolarHBondContact O-N 3.33Å; T105-C108 WeakPolarHBondContact O-CB 3.46Å; T105-C108 PolarHBondContact O-N 2.63Å; T105-C109 PolarHBondContact O-N 3.06Å; T105-C109 PolarHBondContact O-SG 2.85Å; T105-C109 VanDerWaalsContact O-SG 3.41Å; T105-F167 HydrophobicContact CG2-CB 4.34Å; T105-F167 HydrophobicContact CG2-CD1 3.53Å; T105-F167 HydrophobicContact CG2-CD2 4.08Å; T105-F167 HydrophobicContact CG2-CE1 3.74Å; T105-F167 HydrophobicContact CG2-CE2 4.25Å; T105-F167 HydrophobicContact CG2-CG 3.71Å; T105-F167 HydrophobicContact CG2-CZ 4.08Å
106	A	96.1	Very high	95.2	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-53.9	-44.5	-175.1	0	0	0	0	0	113.8	Y73 W76 F77 V102 C108 C109 G110	Y73-A106 HydrophobicContact CD1-CB 4.26Å; Y73-A106 HydrophobicContact CE1-CB 4.2Å; W76-A106 HydrophobicContact CD2-CB 4.44Å; W76-A106 HydrophobicContact CG-CB 3.94Å; W76-A106 VanDerWaalsContact NE1-CB 3.28Å; F77-A106 HydrophobicContact CE2-CB 3.89Å; F77-A106 HydrophobicContact CZ-CB 3.92Å; F77-A106 WeakPolarHBondContact CZ-O 3.48Å; V102-A106 VanDerWaalsContact O-CB 3.26Å; V102-A106 WeakPolarHBondContact O-CB 3.34Å; V102-A106 PolarHBondContact O-N 3.39Å; A106-C108 PolarHBondContact O-N 3.21Å; A106-C109 PolarHBondContact O-N 3.4Å; A106-G110 WeakPolarHBondContact O-CA 3.25Å; A106-G110 PolarHBondContact O-N 2.84Å
107	E	93.8	Very high	95.3	Very high	146 Å²	146	27.4 Å²	27.4	68%	0.682	15%	0.147	S	C	*	.	H	α-helix	trans	-61.8	-32.2	179	-62.4	-54.9	137.7	0	0	112.8	T105	T105-E107 VanDerWaalsContact C-N 3.34Å; T105-E107 PolarHBondContact O-N 3.33Å
108	C	94.5	Very high	95.5	Very high	67 Å²	67	27.5 Å²	27.5	45%	0.453	15%	0.147	S	C	.	.	H	α-helix	trans	-78.8	-36.3	177.3	-58.9	0	0	0	0	112.4	T105 A106 Q160 A163 F167	T105-C108 WeakPolarHBondContact O-CB 3.46Å; T105-C108 PolarHBondContact O-N 2.63Å; A106-C108 PolarHBondContact O-N 3.21Å; C108-Q160 VanDerWaalsContact O-CG 3.29Å; C108-Q160 WeakPolarHBondContact O-CG 3.34Å; C108-A163 HydrophobicContact CB-CB 4.15Å; C108-A163 WeakPolarHBondContact O-CB 3.08Å; C108-F167 HydrophobicContact CB-CE2 3.77Å
109	C	94.1	Very high	95.6	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-91.7	-23.1	-174.3	-61.3	0	0	0	0	114.4	Y73 T105 A106 Y155 Q160 F167	Y73-C109 HydrophobicContact CE1-CB 4.24Å; T105-C109 PolarHBondContact O-N 3.06Å; T105-C109 PolarHBondContact O-SG 2.85Å; T105-C109 VanDerWaalsContact O-SG 3.41Å; A106-C109 PolarHBondContact O-N 3.4Å; C109-Y155 WeakPolarHBondContact O-CD1 3.34Å; C109-Y155 WeakPolarHBondContact O-CE1 3.35Å; C109-Q160 VanDerWaalsContact C-CG 3.47Å; C109-Q160 WeakPolarHBondContact O-CG 3.41Å; C109-F167 WeakPolarHBondContact SG-CD2 3.31Å
110	G	92.7	Very high	95.7	Very high	7 Å²	7	27.5 Å²	27.5	7%	0.072	15%	0.147	C	C	.	.			trans	67.9	-171.6	-166.4	0	0	0	0	0	114.4	F77 A106 G112 G113	F77-G110 WeakPolarHBondContact CE2-O 3.49Å; F77-G110 VanDerWaalsContact CZ-C 3.48Å; A106-G110 WeakPolarHBondContact O-CA 3.25Å; A106-G110 PolarHBondContact O-N 2.84Å; G110-G112 PolarHBondContact O-N 3.3Å; G110-G112 VanDerWaalsContact O-N 3.14Å; G110-G113 PolarHBondContact O-N 3.46Å
111	E	92.1	Very high	95.8	Very high	97 Å²	97	23.3 Å²	23.3	45%	0.453	13%	0.126	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-25.4	179.8	-75.8	-164.6	-139.5	0	0	113.4	F77 R78 G113	F77-E111 HydrophobicContact CB-CG 3.86Å; F77-E111 HydrophobicContact CD1-CG 4.09Å; F77-E111 HydrophobicContact CD2-CB 4.25Å; F77-E111 HydrophobicContact CD2-CG 3.65Å; F77-E111 HydrophobicContact CE2-CG 4.2Å; F77-E111 HydrophobicContact CG-CG 3.59Å; R78-E111 IonicContact CZ-OE2 3.99Å; R78-E111 IonicContact NH1-OE2 3.44Å; R78-E111 PolarHBondContact NH1-OE2 2.93Å; R78-E111 IonicContact NH2-OE2 2.64Å; R78-E111 PolarHBondContact NH2-OE2 2.84Å; E111-G113 PolarHBondContact O-N 3.41Å
112	G	93.3	Very high	95.9	Very high	4 Å²	4	23 Å²	23	4%	0.041	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-25.3	172.5	0	0	0	0	0	114.3	G110 I114 K115 Y154 Y155	G110-G112 PolarHBondContact O-N 3.3Å; G110-G112 VanDerWaalsContact O-N 3.14Å; G112-I114 PolarHBondContact O-N 3.33Å; G112-K115 WeakPolarHBondContact O-CB 3.27Å; G112-K115 VanDerWaalsContact O-CG 3.23Å; G112-K115 WeakPolarHBondContact O-CG 3.18Å; G112-K115 PolarHBondContact O-N 2.86Å; G112-K115 VanDerWaalsContact O-N 3.17Å; G112-Y154 PolarHBondContact N-O 3.24Å; G112-Y155 PolarHBondContact O-OH 3.43Å
113	G	96.5	Very high	95.9	Very high	0 Å²	0	23 Å²	23	0%	0	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.7	-128.8	-173.7	0	0	0	0	0	111	Y73 G110 E111 K115 Y155 G164	Y73-G113 VanDerWaalsContact CD1-CA 3.46Å; Y73-G113 VanDerWaalsContact CE1-CA 3.44Å; G110-G113 PolarHBondContact O-N 3.46Å; E111-G113 PolarHBondContact O-N 3.41Å; G113-K115 PolarHBondContact O-N 3.25Å; G113-Y155 PolarHBondContact O-OH 3.32Å; G113-G164 VanDerWaalsContact O-CA 3.31Å; G113-G164 WeakPolarHBondContact O-CA 3.46Å
114	I	97	Very high	95.9	Very high	2 Å²	2	21.9 Å²	21.9	1%	0.01	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.1	12.9	-176.8	62.8	158.8	0	0	0	114.9	A66 L69 Y73 G112 A116 W117 G164 F167 G168 Y171	A66-I114 HydrophobicContact CB-CD1 4.28Å; A66-I114 HydrophobicContact CB-CG1 3.82Å; L69-I114 HydrophobicContact CB-CD1 4.22Å; L69-I114 HydrophobicContact CB-CG1 4.3Å; L69-I114 HydrophobicContact CD1-CD1 3.76Å; L69-I114 HydrophobicContact CD1-CG1 4.35Å; L69-I114 HydrophobicContact CG-CD1 4.11Å; Y73-I114 HydrophobicContact CE2-CG1 4.31Å; Y73-I114 HydrophobicContact CE2-CG2 4.07Å; G112-I114 PolarHBondContact O-N 3.33Å; I114-A116 PolarHBondContact O-N 2.94Å; I114-A116 VanDerWaalsContact O-N 3.13Å; I114-W117 VanDerWaalsContact O-CB 3.26Å; I114-W117 WeakPolarHBondContact O-CB 3.35Å; I114-W117 PolarHBondContact O-N 3.45Å; I114-G164 WeakPolarHBondContact CA-O 3.41Å; I114-F167 HydrophobicContact CG2-CB 4.01Å; I114-G168 VanDerWaalsContact CG2-N 3.34Å; I114-Y171 HydrophobicContact CD1-CD1 3.54Å; I114-Y171 HydrophobicContact CD1-CE1 4.17Å; I114-Y171 HydrophobicContact CD1-CG 4.03Å
115	K	97.3	Very high	96.1	Very high	38 Å²	38	19.5 Å²	19.5	17%	0.165	10%	0.099	C	C	.	.	H	α-helix	trans	-54	-32.9	179	-75.1	175.1	178.1	-67.3	0	113.8	A66 G112 G113 W117 D118 Y119 Y154 Y155	A66-K115 HydrophobicContact CB-CB 4.46Å; A66-K115 HydrophobicContact CB-CG 4.13Å; G112-K115 WeakPolarHBondContact O-CB 3.27Å; G112-K115 VanDerWaalsContact O-CG 3.23Å; G112-K115 WeakPolarHBondContact O-CG 3.18Å; G112-K115 PolarHBondContact O-N 2.86Å; G112-K115 VanDerWaalsContact O-N 3.17Å; G113-K115 PolarHBondContact O-N 3.25Å; K115-W117 PolarHBondContact O-N 2.98Å; K115-W117 VanDerWaalsContact O-N 3.16Å; K115-D118 PolarHBondContact O-N 3.38Å; K115-Y119 HydrophobicContact CB-CD2 4.35Å; K115-Y119 HydrophobicContact CB-CE2 3.77Å; K115-Y119 PolarHBondContact O-N 2.87Å; K115-Y119 VanDerWaalsContact O-N 3.1Å; K115-Y154 HydrophobicContact CD-CD1 4.21Å; K115-Y154 HydrophobicContact CD-CD2 3.72Å; K115-Y154 HydrophobicContact CD-CE1 4.17Å; K115-Y154 HydrophobicContact CD-CE2 3.67Å; K115-Y154 HydrophobicContact CD-CG 4.01Å; K115-Y155 HydrophobicContact CB-CE2 4.43Å; K115-Y155 PolarHBondContact N-OH 3.44Å; K115-Y155 VanDerWaalsContact N-OH 3.09Å
116	A	97.4	Very high	96.2	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-58.5	-25.5	176.9	0	0	0	0	0	113.3	I114 D118 Y119 V120 Y155 Y161	I114-A116 PolarHBondContact O-N 2.94Å; I114-A116 VanDerWaalsContact O-N 3.13Å; A116-D118 PolarHBondContact O-N 2.81Å; A116-Y119 PolarHBondContact O-N 3.36Å; A116-V120 WeakPolarHBondContact O-CB 3.45Å; A116-V120 WeakPolarHBondContact O-CG2 3.43Å; A116-V120 PolarHBondContact O-N 3.26Å; A116-Y155 HydrophobicContact CB-CE1 4.41Å; A116-Y155 HydrophobicContact CB-CE2 3.86Å; A116-Y155 PolarHBondContact N-OH 3.13Å; A116-Y161 HydrophobicContact CB-CD2 3.7Å; A116-Y161 HydrophobicContact CB-CE2 3.69Å; A116-Y161 HydrophobicContact CB-CG 4.17Å; A116-Y161 WeakPolarHBondContact CB-O 3.45Å
117	W	96.5	Very high	96.3	Very high	4 Å²	4	19.5 Å²	19.5	2%	0.015	10%	0.099	C	C	.	.	H	α-helix	trans	-58.6	-45.6	171.1	168.4	-108.8	0	0	0	112.7	H65 I114 K115 R121 Y165 R169 W172	H65-W117 AromaticContact CD2-NE1 3.47Å; H65-W117 PolarHBondContact CD2-NE1 3.46Å; I114-W117 VanDerWaalsContact O-CB 3.26Å; I114-W117 WeakPolarHBondContact O-CB 3.35Å; I114-W117 PolarHBondContact O-N 3.45Å; K115-W117 PolarHBondContact O-N 2.98Å; K115-W117 VanDerWaalsContact O-N 3.16Å; W117-R121 WeakPolarHBondContact O-CD 3.3Å; W117-R121 VanDerWaalsContact O-CG 3.27Å; W117-R121 WeakPolarHBondContact O-CG 3.4Å; W117-R121 PolarHBondContact O-N 2.88Å; W117-Y165 AromaticContact CE3-CD2 3.82Å; W117-Y165 HydrophobicContact CE3-CD2 3.82Å; W117-Y165 AromaticContact CE3-CE2 3.57Å; W117-Y165 HydrophobicContact CE3-CE2 3.57Å; W117-Y165 HydrophobicContact CZ3-CD2 4.39Å; W117-Y165 AromaticContact CZ3-CE2 3.68Å; W117-Y165 HydrophobicContact CZ3-CE2 3.68Å; W117-R169 HydrophobicContact CE3-CB 3.67Å; W117-R169 HydrophobicContact CE3-CG 4.29Å; W117-R169 HydrophobicContact CH2-CB 4.29Å; W117-R169 HydrophobicContact CH2-CG 4.07Å; W117-R169 HydrophobicContact CZ3-CB 3.5Å; W117-R169 HydrophobicContact CZ3-CG 3.6Å; W117-W172 AromaticContact CE2-CG 3.97Å; W117-W172 HydrophobicContact CH2-CB 4.42Å; W117-W172 AromaticContact CH2-CD2 3.91Å; W117-W172 HydrophobicContact CH2-CD2 3.91Å; W117-W172 AromaticContact CH2-CE3 3.67Å; W117-W172 HydrophobicContact CH2-CE3 3.67Å; W117-W172 HydrophobicContact CH2-CG 4.23Å; W117-W172 HydrophobicContact CH2-CZ3 4.36Å; W117-W172 HydrophobicContact CZ2-CB 3.67Å; W117-W172 AromaticContact CZ2-CD2 3.48Å; W117-W172 HydrophobicContact CZ2-CD2 3.48Å; W117-W172 VanDerWaalsContact CZ2-CD2 3.48Å; W117-W172 AromaticContact CZ2-CE3 3.77Å; W117-W172 HydrophobicContact CZ2-CE3 3.77Å; W117-W172 AromaticContact CZ2-CG 3.41Å; W117-W172 HydrophobicContact CZ2-CG 3.41Å; W117-W172 VanDerWaalsContact CZ2-CG 3.41Å
118	D	97.6	Very high	96.4	Very high	6 Å²	6	12.5 Å²	12.5	3%	0.032	7%	0.066	C	C	.	.	H	α-helix	trans	-74.1	-38.9	177.9	-62.7	-49.1	0	0	0	110.7	M60 G64 H65 A66 K115 A116 R121 M122	M60-D118 HydrophobicContact CE-CB 3.99Å; G64-D118 WeakPolarHBondContact CA-OD2 3.22Å; H65-D118 PolarHBondContact N-OD1 2.91Å; H65-D118 PolarHBondContact N-OD2 3.36Å; H65-D118 VanDerWaalsContact N-OD2 3.11Å; A66-D118 WeakPolarHBondContact CB-OD2 3.09Å; A66-D118 PolarHBondContact N-OD2 2.9Å; K115-D118 PolarHBondContact O-N 3.38Å; A116-D118 PolarHBondContact O-N 2.81Å; D118-R121 WeakPolarHBondContact O-CB 3.46Å; D118-R121 PolarHBondContact O-N 3.45Å; D118-M122 VanDerWaalsContact O-CG 3.24Å; D118-M122 WeakPolarHBondContact O-CG 3.25Å; D118-M122 PolarHBondContact O-N 2.85Å
119	Y	97.9	Very high	96.6	Very high	6 Å²	6	9.3 Å²	9.3	2%	0.024	5%	0.045	C	C	.	.	H	α-helix	trans	-62.4	-45.2	179.3	-62.8	-19.5	0	0	0	113.6	I61 K115 A116 R121 M122 G123 I147 R150 A151 Y154 Y155 Y161	I61-Y119 HydrophobicContact CD1-CE1 4.17Å; K115-Y119 HydrophobicContact CB-CD2 4.35Å; K115-Y119 HydrophobicContact CB-CE2 3.77Å; K115-Y119 PolarHBondContact O-N 2.87Å; K115-Y119 VanDerWaalsContact O-N 3.1Å; A116-Y119 PolarHBondContact O-N 3.36Å; Y119-R121 VanDerWaalsContact C-N 3.28Å; Y119-R121 PolarHBondContact O-N 3.49Å; Y119-M122 HydrophobicContact CD1-SD 4.16Å; Y119-M122 PolarHBondContact O-N 3.2Å; Y119-G123 PolarHBondContact O-N 3.03Å; Y119-I147 HydrophobicContact CD1-CG2 4.24Å; Y119-I147 HydrophobicContact CG-CG2 3.96Å; Y119-R150 HydrophobicContact CE1-CB 4.42Å; Y119-R150 HydrophobicContact CE2-CB 4.29Å; Y119-A151 HydrophobicContact CD2-CB 4.34Å; Y119-Y154 HydrophobicContact CE2-CD2 4.3Å; Y119-Y154 WeakPolarHBondContact OH-CE2 3.49Å; Y119-Y155 HydrophobicContact CD2-CE2 4.3Å; Y119-Y155 HydrophobicContact CE2-CE2 4.22Å; Y119-Y161 WeakPolarHBondContact CB-OH 3.35Å; Y119-Y161 HydrophobicContact CD2-CE2 4.17Å
120	V	97.4	Very high	96.8	Very high	0 Å²	0	9.8 Å²	9.8	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-58.4	-44.8	175.8	168.3	0	0	0	0	110.2	L12 P15 M16 A116 G123 F124 Y161 Y165	L12-V120 WeakPolarHBondContact O-CA 3.46Å; L12-V120 WeakPolarHBondContact O-CG2 3.5Å; P15-V120 HydrophobicContact CB-CG1 4.11Å; P15-V120 HydrophobicContact CG-CG1 4.17Å; P15-V120 HydrophobicContact CG-CG2 4.12Å; M16-V120 HydrophobicContact CB-CG1 4.37Å; M16-V120 HydrophobicContact CG-CG1 3.73Å; M16-V120 HydrophobicContact SD-CG1 4.16Å; A116-V120 WeakPolarHBondContact O-CB 3.45Å; A116-V120 WeakPolarHBondContact O-CG2 3.43Å; A116-V120 PolarHBondContact O-N 3.26Å; V120-G123 PolarHBondContact O-N 3.22Å; V120-F124 PolarHBondContact O-N 2.98Å; V120-Y161 HydrophobicContact CG2-CE1 3.75Å; V120-Y165 HydrophobicContact CB-CD2 3.65Å; V120-Y165 HydrophobicContact CB-CE2 4.01Å; V120-Y165 HydrophobicContact CG1-CD2 3.75Å; V120-Y165 HydrophobicContact CG1-CE2 3.62Å; V120-Y165 HydrophobicContact CG2-CD2 3.55Å; V120-Y165 HydrophobicContact CG2-CE2 4.3Å; V120-Y165 HydrophobicContact CG2-CG 4Å
121	R	97	Very high	97.1	Very high	30 Å²	30	9.5 Å²	9.5	11%	0.113	4%	0.044	C	C	.	.	H	α-helix	trans	-66.2	-40.5	179.5	-74.9	175.2	70.1	-163	5.1	112.9	M16 W45 M60 H65 W117 D118 Y119 G123 F124 L125	M16-R121 HydrophobicContact SD-CB 4.2Å; M16-R121 HydrophobicContact SD-CG 3.63Å; W45-R121 HydrophobicContact CH2-CB 3.86Å; W45-R121 HydrophobicContact CH2-CG 3.88Å; W45-R121 HydrophobicContact CZ3-CB 4.45Å; M60-R121 HydrophobicContact CE-CB 3.52Å; M60-R121 HydrophobicContact CE-CG 4.4Å; H65-R121 PolarHBondContact CD2-NH1 3.4Å; H65-R121 VanDerWaalsContact CD2-NH1 3.34Å; H65-R121 PolarHBondContact NE2-NH1 2.65Å; W117-R121 WeakPolarHBondContact O-CD 3.3Å; W117-R121 VanDerWaalsContact O-CG 3.27Å; W117-R121 WeakPolarHBondContact O-CG 3.4Å; W117-R121 PolarHBondContact O-N 2.88Å; D118-R121 WeakPolarHBondContact O-CB 3.46Å; D118-R121 PolarHBondContact O-N 3.45Å; Y119-R121 VanDerWaalsContact C-N 3.28Å; Y119-R121 PolarHBondContact O-N 3.49Å; R121-G123 VanDerWaalsContact C-N 3.35Å; R121-F124 WeakPolarHBondContact O-CB 3.39Å; R121-F124 PolarHBondContact O-N 2.91Å; R121-L125 WeakPolarHBondContact O-CG 3.27Å; R121-L125 PolarHBondContact O-N 3.38Å
122	M	97.7	Very high	97.3	Very high	0 Å²	0	5.3 Å²	5.3	0%	0	3%	0.025	C	C	.	.	H	α-helix	trans	-63.1	-41.9	173.9	-69.6	168.4	69.6	0	0	111.5	I57 M60 I61 D118 Y119 L125 S126 I147 L235	I57-M122 HydrophobicContact CG2-CE 3.88Å; M60-M122 HydrophobicContact CB-CG 3.77Å; M60-M122 HydrophobicContact CB-SD 4.1Å; M60-M122 HydrophobicContact CE-CG 4.42Å; I61-M122 HydrophobicContact CB-CE 4.28Å; I61-M122 HydrophobicContact CD1-CE 3.78Å; I61-M122 HydrophobicContact CD1-SD 4.19Å; D118-M122 VanDerWaalsContact O-CG 3.24Å; D118-M122 WeakPolarHBondContact O-CG 3.25Å; D118-M122 PolarHBondContact O-N 2.85Å; Y119-M122 HydrophobicContact CD1-SD 4.16Å; Y119-M122 PolarHBondContact O-N 3.2Å; M122-L125 PolarHBondContact O-N 3.1Å; M122-S126 WeakPolarHBondContact O-CB 3.17Å; M122-S126 PolarHBondContact O-N 2.85Å; M122-S126 PolarHBondContact O-OG 3.44Å; M122-I147 HydrophobicContact CB-CD1 3.45Å; M122-I147 VanDerWaalsContact CB-CD1 3.45Å; M122-I147 HydrophobicContact CB-CG1 4.26Å; M122-I147 HydrophobicContact CE-CD1 4.07Å; M122-I147 HydrophobicContact CE-CG1 3.79Å; M122-I147 HydrophobicContact SD-CG1 4.43Å; M122-L235 HydrophobicContact CE-CD1 4.44Å; M122-L235 HydrophobicContact CE-CD2 4.43Å
123	G	97.5	Very high	97.5	Very high	0 Å²	0	11 Å²	11	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-64.6	-40.6	175.2	0	0	0	0	0	112.2	S13 Y119 V120 R121 S126 R127	S13-G123 VanDerWaalsContact CB-C 3.49Å; Y119-G123 PolarHBondContact O-N 3.03Å; V120-G123 PolarHBondContact O-N 3.22Å; R121-G123 VanDerWaalsContact C-N 3.35Å; G123-S126 WeakPolarHBondContact O-CB 3.2Å; G123-S126 PolarHBondContact O-N 2.88Å; G123-R127 WeakPolarHBondContact O-CG 3.43Å; G123-R127 PolarHBondContact O-N 2.85Å; G123-R127 VanDerWaalsContact O-N 3.1Å
124	F	97.1	Very high	97.6	Very high	2 Å²	2	13.4 Å²	13.4	1%	0.009	6%	0.063	C	C	.	.	H	α-helix	trans	-57	-52.8	171.6	166	-94.9	0	0	0	111.6	M16 M32 Y33 F39 L41 W45 V120 R121 S126 R127 M128	M16-F124 HydrophobicContact CB-CB 4Å; M16-F124 HydrophobicContact CB-CD2 3.79Å; M16-F124 HydrophobicContact CB-CG 4.11Å; M16-F124 HydrophobicContact CE-CB 3.86Å; M16-F124 HydrophobicContact CE-CD1 3.34Å; M16-F124 HydrophobicContact CE-CD2 3.63Å; M16-F124 HydrophobicContact CE-CE1 3.71Å; M16-F124 HydrophobicContact CE-CE2 3.98Å; M16-F124 HydrophobicContact CE-CG 3.3Å; M16-F124 HydrophobicContact CE-CZ 4.02Å; M16-F124 HydrophobicContact CG-CB 4.34Å; M16-F124 HydrophobicContact SD-CB 3.46Å; M16-F124 WeakPolarHBondContact SD-CB 3.43Å; M16-F124 HydrophobicContact SD-CD1 4.07Å; M16-F124 HydrophobicContact SD-CD2 4.23Å; M16-F124 HydrophobicContact SD-CG 3.66Å; M32-F124 HydrophobicContact CE-CB 4.18Å; M32-F124 HydrophobicContact CE-CD2 3.82Å; M32-F124 HydrophobicContact CE-CG 4.47Å; M32-F124 HydrophobicContact SD-CD2 3.6Å; M32-F124 VanDerWaalsContact SD-CD2 3.6Å; M32-F124 HydrophobicContact SD-CE2 4.05Å; Y33-F124 HydrophobicContact CE2-CE2 4.33Å; F39-F124 HydrophobicContact CD1-CZ 4.36Å; F39-F124 AromaticContact CE1-CZ 3.78Å; F39-F124 HydrophobicContact CE1-CZ 3.78Å; F39-F124 HydrophobicContact CZ-CE2 4.46Å; F39-F124 AromaticContact CZ-CZ 3.94Å; F39-F124 HydrophobicContact CZ-CZ 3.94Å; L41-F124 HydrophobicContact CD2-CE1 3.98Å; L41-F124 HydrophobicContact CD2-CZ 4.39Å; W45-F124 HydrophobicContact CH2-CD1 4.47Å; W45-F124 AromaticContact CZ2-CD1 4Å; W45-F124 HydrophobicContact CZ2-CD1 4Å; W45-F124 AromaticContact CZ2-CE1 3.95Å; W45-F124 HydrophobicContact CZ2-CE1 3.95Å; W45-F124 AromaticContact NE1-CE1 3.96Å; V120-F124 PolarHBondContact O-N 2.98Å; R121-F124 WeakPolarHBondContact O-CB 3.39Å; R121-F124 PolarHBondContact O-N 2.91Å; F124-S126 VanDerWaalsContact C-N 3.26Å; F124-S126 PolarHBondContact O-N 3.04Å; F124-R127 PolarHBondContact O-N 3.19Å; F124-M128 HydrophobicContact CD1-CG 4.11Å; F124-M128 HydrophobicContact CD2-CE 4.43Å; F124-M128 HydrophobicContact CD2-CG 4.11Å; F124-M128 HydrophobicContact CE1-CG 3.65Å; F124-M128 HydrophobicContact CE2-CE 4.11Å; F124-M128 HydrophobicContact CE2-CG 3.64Å; F124-M128 HydrophobicContact CE2-SD 3.79Å; F124-M128 HydrophobicContact CG-CG 4.32Å; F124-M128 HydrophobicContact CZ-CG 3.39Å; F124-M128 HydrophobicContact CZ-SD 3.87Å; F124-M128 WeakPolarHBondContact O-CG 3.28Å; F124-M128 PolarHBondContact O-N 2.71Å
125	L	98	Very high	97.7	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-59.4	-39.3	179	-71.6	177	0	0	0	111.7	L41 W45 I47 L53 T56 I57 M60 R121 M122 R127 M128 G129	L41-L125 HydrophobicContact CD1-CD2 4.12Å; L41-L125 HydrophobicContact CD2-CD2 4.07Å; W45-L125 HydrophobicContact CD2-CD2 3.97Å; W45-L125 HydrophobicContact CE3-CD1 3.99Å; W45-L125 HydrophobicContact CE3-CD2 3.98Å; W45-L125 HydrophobicContact CE3-CG 4.35Å; W45-L125 HydrophobicContact CG-CD2 4.4Å; W45-L125 HydrophobicContact CH2-CD1 4.42Å; W45-L125 HydrophobicContact CH2-CD2 4.42Å; W45-L125 HydrophobicContact CH2-CG 4.33Å; W45-L125 HydrophobicContact CZ3-CD1 3.76Å; W45-L125 HydrophobicContact CZ3-CD2 4.19Å; W45-L125 HydrophobicContact CZ3-CG 4.11Å; I47-L125 HydrophobicContact CD1-CD1 4.28Å; I47-L125 HydrophobicContact CD1-CD2 3.78Å; L53-L125 HydrophobicContact CD1-CB 3.92Å; L53-L125 HydrophobicContact CD1-CD2 4.08Å; L53-L125 HydrophobicContact CD1-CG 4.49Å; T56-L125 HydrophobicContact CG2-CD1 3.8Å; I57-L125 HydrophobicContact CD1-CB 3.94Å; I57-L125 HydrophobicContact CG1-CB 3.83Å; I57-L125 HydrophobicContact CG1-CD1 4.09Å; M60-L125 HydrophobicContact SD-CD1 4.3Å; R121-L125 WeakPolarHBondContact O-CG 3.27Å; R121-L125 PolarHBondContact O-N 3.38Å; M122-L125 PolarHBondContact O-N 3.1Å; L125-R127 VanDerWaalsContact C-N 3.29Å; L125-R127 PolarHBondContact O-N 3.48Å; L125-M128 PolarHBondContact O-N 2.94Å; L125-G129 PolarHBondContact O-N 3.23Å
126	S	98.1	Very high	97.7	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-61.3	-37.7	176.8	-56.7	0	0	0	0	112.1	M122 G123 F124 V130 S140 I143	M122-S126 WeakPolarHBondContact O-CB 3.17Å; M122-S126 PolarHBondContact O-N 2.85Å; M122-S126 PolarHBondContact O-OG 3.44Å; G123-S126 WeakPolarHBondContact O-CB 3.2Å; G123-S126 PolarHBondContact O-N 2.88Å; F124-S126 VanDerWaalsContact C-N 3.26Å; F124-S126 PolarHBondContact O-N 3.04Å; S126-V130 PolarHBondContact O-N 3.45Å; S126-S140 VanDerWaalsContact C-OG 3.26Å; S126-S140 WeakPolarHBondContact O-CB 3.49Å; S126-S140 PolarHBondContact O-OG 3.2Å; S126-I143 WeakPolarHBondContact OG-CG2 3.27Å
127	R	97.9	Very high	97.7	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-78.8	-34.6	177.6	-67.3	173.8	72.7	-167	7.9	112.3	S13 E17 S26 S29 P30 M32 G123 F124 L125 G129 V130 L131	S13-R127 WeakPolarHBondContact OG-CD 3.3Å; S13-R127 PolarHBondContact OG-NH1 2.71Å; E17-R127 IonicContact OE1-CZ 3.19Å; E17-R127 IonicContact OE1-NH1 2.78Å; E17-R127 PolarHBondContact OE1-NH1 2.83Å; E17-R127 IonicContact OE1-NH2 2.73Å; E17-R127 PolarHBondContact OE1-NH2 3.2Å; S26-R127 PolarHBondContact O-NH2 2.65Å; S29-R127 PolarHBondContact O-NE 3.5Å; S29-R127 PolarHBondContact O-NH2 2.81Å; P30-R127 WeakPolarHBondContact O-CA 3.44Å; P30-R127 WeakPolarHBondContact O-CB 3.36Å; P30-R127 WeakPolarHBondContact O-CG 3.36Å; M32-R127 VanDerWaalsContact CA-NH2 3.35Å; M32-R127 HydrophobicContact CB-CB 4.13Å; M32-R127 HydrophobicContact CE-CB 4.39Å; M32-R127 VanDerWaalsContact CE-NH1 3.29Å; G123-R127 WeakPolarHBondContact O-CG 3.43Å; G123-R127 PolarHBondContact O-N 2.85Å; G123-R127 VanDerWaalsContact O-N 3.1Å; F124-R127 PolarHBondContact O-N 3.19Å; L125-R127 VanDerWaalsContact C-N 3.29Å; L125-R127 PolarHBondContact O-N 3.48Å; R127-G129 VanDerWaalsContact C-N 3.28Å; R127-G129 PolarHBondContact O-N 3.24Å; R127-V130 PolarHBondContact O-N 3.32Å; R127-L131 PolarHBondContact O-N 2.82Å
128	M	97.4	Very high	97.8	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-64.7	-34.6	171.1	-66	-53.7	94.4	0	0	111.5	M32 Y33 F39 L41 F124 L125 V130 L131 N132	M32-M128 HydrophobicContact CB-CE 3.49Å; M32-M128 VanDerWaalsContact CB-CE 3.49Å; M32-M128 HydrophobicContact CG-CE 4.19Å; M32-M128 HydrophobicContact SD-CE 3.86Å; Y33-M128 HydrophobicContact CD2-CE 3.71Å; Y33-M128 HydrophobicContact CD2-SD 4.14Å; Y33-M128 HydrophobicContact CE2-CE 3.55Å; Y33-M128 HydrophobicContact CE2-SD 3.85Å; F39-M128 HydrophobicContact CB-SD 3.64Å; F39-M128 HydrophobicContact CD1-CG 4.31Å; F39-M128 HydrophobicContact CD1-SD 3.83Å; F39-M128 HydrophobicContact CD2-SD 3.72Å; F39-M128 HydrophobicContact CE1-SD 4.44Å; F39-M128 HydrophobicContact CE2-SD 4.33Å; F39-M128 HydrophobicContact CG-CG 4.46Å; F39-M128 HydrophobicContact CG-SD 3.43Å; F39-M128 WeakPolarHBondContact CG-SD 3.22Å; L41-M128 HydrophobicContact CD1-CB 3.95Å; L41-M128 HydrophobicContact CD2-CB 4.42Å; L41-M128 HydrophobicContact CD2-CG 4.3Å; F124-M128 HydrophobicContact CD1-CG 4.11Å; F124-M128 HydrophobicContact CD2-CE 4.43Å; F124-M128 HydrophobicContact CD2-CG 4.11Å; F124-M128 HydrophobicContact CE1-CG 3.65Å; F124-M128 HydrophobicContact CE2-CE 4.11Å; F124-M128 HydrophobicContact CE2-CG 3.64Å; F124-M128 HydrophobicContact CE2-SD 3.79Å; F124-M128 HydrophobicContact CG-CG 4.32Å; F124-M128 HydrophobicContact CZ-CG 3.39Å; F124-M128 HydrophobicContact CZ-SD 3.87Å; F124-M128 WeakPolarHBondContact O-CG 3.28Å; F124-M128 PolarHBondContact O-N 2.71Å; L125-M128 PolarHBondContact O-N 2.94Å; M128-V130 VanDerWaalsContact C-N 3.31Å; M128-V130 PolarHBondContact O-N 3.02Å; M128-L131 HydrophobicContact CE-CD2 3.98Å; M128-L131 WeakPolarHBondContact O-CB 3.36Å; M128-L131 PolarHBondContact O-N 3.09Å; M128-L131 HydrophobicContact SD-CD2 3.83Å; M128-N132 WeakPolarHBondContact O-CB 3.31Å; M128-N132 PolarHBondContact O-N 2.87Å
129	G	98.4	Very high	97.8	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-58.7	-40.1	171.3	0	0	0	0	0	112.9	L125 R127 N133 W134 L135	L125-G129 PolarHBondContact O-N 3.23Å; R127-G129 VanDerWaalsContact C-N 3.28Å; R127-G129 PolarHBondContact O-N 3.24Å; G129-N133 PolarHBondContact O-N 2.78Å; G129-W134 PolarHBondContact O-N 3.12Å; G129-L135 PolarHBondContact O-N 3.3Å
130	V	98.4	Very high	97.8	Very high	10 Å²	10	23.9 Å²	23.9	6%	0.061	12%	0.119	C	C	.	.	H	α-helix	trans	-69.9	-42.3	174	-173.1	0	0	0	0	111.4	P30 K31 S126 R127 M128 N132 N133 L135	P30-V130 HydrophobicContact CB-CG1 4.31Å; K31-V130 HydrophobicContact CG-CB 4.39Å; K31-V130 HydrophobicContact CG-CG1 3.89Å; S126-V130 PolarHBondContact O-N 3.45Å; R127-V130 PolarHBondContact O-N 3.32Å; M128-V130 VanDerWaalsContact C-N 3.31Å; M128-V130 PolarHBondContact O-N 3.02Å; V130-N132 VanDerWaalsContact C-N 3.32Å; V130-N132 PolarHBondContact O-N 3.39Å; V130-N133 PolarHBondContact O-N 2.77Å; V130-N133 VanDerWaalsContact O-N 3.16Å; V130-L135 WeakPolarHBondContact CA-O 3.4Å; V130-L135 HydrophobicContact CG2-CB 4.4Å
131	L	97.6	Very high	97.8	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-58.2	-44.9	178.1	177	59.5	0	0	0	111.6	K31 Y33 T36 F39 R127 M128 N133	K31-L131 HydrophobicContact CB-CB 4.07Å; K31-L131 HydrophobicContact CB-CD1 4.04Å; K31-L131 HydrophobicContact CD-CD1 4.17Å; K31-L131 HydrophobicContact CG-CB 4.37Å; Y33-L131 HydrophobicContact CD2-CD2 4.12Å; T36-L131 HydrophobicContact CG2-CD1 4.28Å; T36-L131 HydrophobicContact CG2-CD2 3.95Å; T36-L131 WeakPolarHBondContact O-CD1 3.48Å; F39-L131 HydrophobicContact CB-CD2 3.67Å; R127-L131 PolarHBondContact O-N 2.82Å; M128-L131 HydrophobicContact CE-CD2 3.98Å; M128-L131 WeakPolarHBondContact O-CB 3.36Å; M128-L131 PolarHBondContact O-N 3.09Å; M128-L131 HydrophobicContact SD-CD2 3.83Å; L131-N133 VanDerWaalsContact C-N 3.26Å; L131-N133 PolarHBondContact O-N 2.78Å
132	N	97.8	Very high	97.9	Very high	10 Å²	10	23.5 Å²	23.5	5%	0.053	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.7	1.4	179.9	-68.3	-1.5	0	0	0	113.9	F38 F39 M128 V130 W134	F38-N132 WeakPolarHBondContact CA-OD1 3.14Å; F38-N132 HydrophobicContact CD2-CB 4.03Å; F38-N132 WeakPolarHBondContact CD2-OD1 3.41Å; F38-N132 HydrophobicContact CE2-CB 3.95Å; F38-N132 VanDerWaalsContact CE2-CG 3.49Å; F39-N132 PolarHBondContact N-OD1 3Å; F39-N132 PolarHBondContact O-ND2 3.47Å; F39-N132 PolarHBondContact O-OD1 2.69Å; M128-N132 WeakPolarHBondContact O-CB 3.31Å; M128-N132 PolarHBondContact O-N 2.87Å; V130-N132 VanDerWaalsContact C-N 3.32Å; V130-N132 PolarHBondContact O-N 3.39Å; N132-W134 VanDerWaalsContact C-N 3.26Å; N132-W134 HydrophobicContact CB-CD2 3.87Å; N132-W134 HydrophobicContact CB-CE3 4.25Å; N132-W134 HydrophobicContact CB-CG 4.16Å; N132-W134 HydrophobicContact CB-CZ2 4.35Å; N132-W134 PolarHBondContact O-N 2.73Å
133	N	97.7	Very high	97.9	Very high	122 Å²	122	23.5 Å²	23.5	65%	0.652	12%	0.118	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.8	29.4	-175.5	-45.8	-68.3	0	0	0	114.3	G129 V130 L131	G129-N133 PolarHBondContact O-N 2.78Å; V130-N133 PolarHBondContact O-N 2.77Å; V130-N133 VanDerWaalsContact O-N 3.16Å; L131-N133 VanDerWaalsContact C-N 3.26Å; L131-N133 PolarHBondContact O-N 2.78Å
134	W	98.5	Very high	97.9	Very high	51 Å²	51	23.5 Å²	23.5	19%	0.193	12%	0.118	C	C	.	.	S	Bend	trans	-89.3	-27.5	172.3	-62.5	-17.4	0	0	0	112.6	F38 L41 I47 D48 R50 L53 G129 N132	F38-W134 HydrophobicContact CE2-CZ2 4.3Å; F38-W134 HydrophobicContact CZ-CZ2 4.5Å; L41-W134 HydrophobicContact CD1-CZ3 3.91Å; I47-W134 HydrophobicContact CG2-CH2 4.25Å; I47-W134 HydrophobicContact CG2-CZ3 3.67Å; D48-W134 VanDerWaalsContact O-CZ2 3.23Å; D48-W134 WeakPolarHBondContact O-CZ2 3.13Å; R50-W134 HydrophobicContact CB-CB 4Å; R50-W134 HydrophobicContact CB-CG 4.41Å; R50-W134 WeakPolarHBondContact CD-O 3.45Å; R50-W134 HydrophobicContact CG-CB 4.38Å; R50-W134 WeakPolarHBondContact CG-O 3.32Å; R50-W134 PolarHBondContact NE-O 3.06Å; L53-W134 HydrophobicContact CB-CE3 4.22Å; L53-W134 HydrophobicContact CD2-CE3 4.24Å; G129-W134 PolarHBondContact O-N 3.12Å; N132-W134 VanDerWaalsContact C-N 3.26Å; N132-W134 HydrophobicContact CB-CD2 3.87Å; N132-W134 HydrophobicContact CB-CE3 4.25Å; N132-W134 HydrophobicContact CB-CG 4.16Å; N132-W134 HydrophobicContact CB-CZ2 4.35Å; N132-W134 PolarHBondContact O-N 2.73Å
135	L	98.5	Very high	97.9	Very high	8 Å²	8	23.4 Å²	23.4	4%	0.042	12%	0.118	C	C	.	.	S	Bend	trans	-122.4	145.4	173.9	-58.5	179.5	0	0	0	109.9	R50 L53 L54 G129 V130 E139 I143	R50-L135 HydrophobicContact CG-CD2 4.39Å; L53-L135 HydrophobicContact CD2-CD1 3.67Å; L53-L135 HydrophobicContact CD2-CD2 4.48Å; L53-L135 HydrophobicContact CD2-CG 3.85Å; L54-L135 HydrophobicContact CD2-CD2 3.97Å; L54-L135 HydrophobicContact CG-CD2 4.38Å; G129-L135 PolarHBondContact O-N 3.3Å; V130-L135 WeakPolarHBondContact CA-O 3.4Å; V130-L135 HydrophobicContact CG2-CB 4.4Å; L135-E139 HydrophobicContact CB-CB 4.28Å; L135-E139 HydrophobicContact CD2-CB 4.44Å; L135-I143 HydrophobicContact CD1-CD1 4.04Å
136	S	98.2	Very high	97.9	Very high	51 Å²	51	27 Å²	27	36%	0.357	13%	0.132	S	C	.	.			trans	-71.5	162.2	162	62.9	0	0	0	0	111.2	E138 E139 S140	S136-E138 VanDerWaalsContact C-N 3.26Å; S136-E138 PolarHBondContact O-N 3.26Å; S136-E139 WeakPolarHBondContact CB-OE2 3.42Å; S136-E139 PolarHBondContact N-OE2 3Å; S136-E139 PolarHBondContact O-N 3.05Å; S136-E139 WeakPolarHBondContact OG-CB 3.24Å; S136-E139 WeakPolarHBondContact OG-CG 3.44Å; S136-E139 PolarHBondContact OG-N 2.93Å; S136-E139 PolarHBondContact OG-OE2 2.94Å; S136-S140 PolarHBondContact O-N 2.83Å; S136-S140 VanDerWaalsContact O-N 3.07Å
137	E	97.4	Very high	97.9	Very high	81 Å²	81	27 Å²	27	38%	0.379	13%	0.132	S	C	.	.	H	α-helix	trans	-59.5	-39	172.2	-178.2	178.3	150.7	0	0	111.6	Q6 P30 S140 L141	Q6-E137 PolarHBondContact NE2-OE1 2.63Å; P30-E137 HydrophobicContact CB-CG 3.88Å; P30-E137 HydrophobicContact CG-CG 4.32Å; E137-S140 PolarHBondContact O-N 3.43Å; E137-L141 HydrophobicContact CG-CD1 3.86Å; E137-L141 HydrophobicContact CG-CG 4.21Å; E137-L141 WeakPolarHBondContact O-CB 3.44Å; E137-L141 VanDerWaalsContact O-CG 3.29Å; E137-L141 WeakPolarHBondContact O-CG 3.48Å; E137-L141 PolarHBondContact O-N 3.2Å
138	E	97	Very high	97.9	Very high	124 Å²	124	27 Å²	27	58%	0.579	13%	0.132	S	C	*	.	H	α-helix	trans	-60.5	-46.9	177.5	-178	178.8	-167.8	0	0	112	S136 L141 W142 P226	S136-E138 VanDerWaalsContact C-N 3.26Å; S136-E138 PolarHBondContact O-N 3.26Å; E138-L141 PolarHBondContact O-N 3.03Å; E138-W142 WeakPolarHBondContact O-CB 3.18Å; E138-W142 PolarHBondContact O-N 3.47Å; E138-P226 HydrophobicContact CG-CG 4.2Å
139	E	98.3	Very high	97.8	Very high	13 Å²	13	30 Å²	30	6%	0.061	15%	0.147	C	C	.	.	H	α-helix	trans	-60.6	-46.1	176.2	-76.1	170.6	127.3	0	0	111.7	R50 L135 S136 W142 I143 P226 T228 L229	R50-E139 IonicContact CZ-OE1 3.06Å; R50-E139 IonicContact NH2-OE1 3.29Å; R50-E139 PolarHBondContact NH2-OE1 3.18Å; L135-E139 HydrophobicContact CB-CB 4.28Å; L135-E139 HydrophobicContact CD2-CB 4.44Å; S136-E139 WeakPolarHBondContact CB-OE2 3.42Å; S136-E139 PolarHBondContact N-OE2 3Å; S136-E139 PolarHBondContact O-N 3.05Å; S136-E139 WeakPolarHBondContact OG-CB 3.24Å; S136-E139 WeakPolarHBondContact OG-CG 3.44Å; S136-E139 PolarHBondContact OG-N 2.93Å; S136-E139 PolarHBondContact OG-OE2 2.94Å; E139-W142 PolarHBondContact O-N 2.91Å; E139-I143 WeakPolarHBondContact O-CG1 3.38Å; E139-I143 PolarHBondContact O-N 3.5Å; E139-P226 HydrophobicContact CG-CB 4.43Å; E139-P226 HydrophobicContact CG-CG 4.49Å; E139-T228 VanDerWaalsContact CD-OG1 3.31Å; E139-T228 VanDerWaalsContact OE1-CB 3.25Å; E139-T228 WeakPolarHBondContact OE1-CB 3.26Å; E139-T228 PolarHBondContact OE1-OG1 3.35Å; E139-L229 HydrophobicContact CB-CD1 3.75Å; E139-L229 HydrophobicContact CB-CG 4.37Å; E139-L229 HydrophobicContact CG-CD1 3.8Å; E139-L229 HydrophobicContact CG-CD2 4.49Å; E139-L229 HydrophobicContact CG-CG 3.92Å
140	S	98.1	Very high	97.7	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-64.4	-43.6	179.1	-175.4	0	0	0	0	112.6	S126 S136 E137 W142 I143 Q144	S126-S140 VanDerWaalsContact C-OG 3.26Å; S126-S140 WeakPolarHBondContact O-CB 3.49Å; S126-S140 PolarHBondContact O-OG 3.2Å; S136-S140 PolarHBondContact O-N 2.83Å; S136-S140 VanDerWaalsContact O-N 3.07Å; E137-S140 PolarHBondContact O-N 3.43Å; S140-W142 VanDerWaalsContact C-N 3.33Å; S140-I143 PolarHBondContact O-N 3.34Å; S140-Q144 WeakPolarHBondContact O-CB 3.47Å; S140-Q144 VanDerWaalsContact O-CG 3.31Å; S140-Q144 WeakPolarHBondContact O-CG 3.48Å; S140-Q144 PolarHBondContact O-N 2.96Å; S140-Q144 PolarHBondContact O-NE2 3.02Å; S140-Q144 PolarHBondContact OG-NE2 3.26Å; S140-Q144 VanDerWaalsContact OG-NE2 3.14Å
141	L	97.9	Very high	97.6	Very high	13 Å²	13	32.9 Å²	32.9	7%	0.068	16%	0.157	C	C	.	.	H	α-helix	trans	-64.8	-38.5	175.5	-73.3	174.3	0	0	0	111.3	M1 Q6 L9 F10 E137 E138 Q144 S145	M1-L141 HydrophobicContact SD-CB 4.42Å; M1-L141 HydrophobicContact SD-CD1 4.39Å; M1-L141 HydrophobicContact SD-CD2 4.14Å; Q6-L141 HydrophobicContact CB-CD2 4.36Å; Q6-L141 HydrophobicContact CG-CD1 4.03Å; Q6-L141 HydrophobicContact CG-CD2 3.95Å; L9-L141 HydrophobicContact CD1-CD2 4.09Å; L9-L141 WeakPolarHBondContact CD1-O 3.38Å; F10-L141 HydrophobicContact CD1-CD2 4.42Å; F10-L141 HydrophobicContact CE1-CD2 3.53Å; F10-L141 HydrophobicContact CZ-CD2 3.81Å; E137-L141 HydrophobicContact CG-CD1 3.86Å; E137-L141 HydrophobicContact CG-CG 4.21Å; E137-L141 WeakPolarHBondContact O-CB 3.44Å; E137-L141 VanDerWaalsContact O-CG 3.29Å; E137-L141 WeakPolarHBondContact O-CG 3.48Å; E137-L141 PolarHBondContact O-N 3.2Å; E138-L141 PolarHBondContact O-N 3.03Å; L141-Q144 PolarHBondContact O-N 3.49Å; L141-S145 WeakPolarHBondContact O-CB 3.4Å; L141-S145 PolarHBondContact O-N 3.47Å
142	W	97.8	Very high	97.6	Very high	8 Å²	8	34.8 Å²	34.8	3%	0.03	17%	0.167	C	C	.	.	H	α-helix	trans	-62.2	-50.5	175.4	-178.4	81.8	0	0	0	111.2	E138 E139 S140 Q144 S145 R146 A224 C225 P226 L229 M232 L235	E138-W142 WeakPolarHBondContact O-CB 3.18Å; E138-W142 PolarHBondContact O-N 3.47Å; E139-W142 PolarHBondContact O-N 2.91Å; S140-W142 VanDerWaalsContact C-N 3.33Å; W142-Q144 PolarHBondContact O-N 3.41Å; W142-S145 WeakPolarHBondContact O-CB 3.42Å; W142-S145 PolarHBondContact O-N 3.5Å; W142-S145 PolarHBondContact O-OG 3.14Å; W142-R146 HydrophobicContact CD2-CG 4.2Å; W142-R146 HydrophobicContact CE3-CG 4.33Å; W142-R146 HydrophobicContact CH2-CG 3.99Å; W142-R146 HydrophobicContact CZ2-CG 3.84Å; W142-R146 HydrophobicContact CZ3-CG 4.24Å; W142-R146 WeakPolarHBondContact O-CG 3.42Å; W142-R146 PolarHBondContact O-N 2.85Å; W142-R146 VanDerWaalsContact O-N 3.14Å; W142-A224 VanDerWaalsContact CD1-O 3.3Å; W142-C225 HydrophobicContact CH2-CB 4.46Å; W142-C225 HydrophobicContact CZ2-CB 3.64Å; W142-C225 WeakPolarHBondContact CZ2-SG 3.17Å; W142-C225 VanDerWaalsContact NE1-CA 3.28Å; W142-P226 HydrophobicContact CB-CG 4.07Å; W142-P226 VanDerWaalsContact CG-CD 3.44Å; W142-P226 HydrophobicContact CG-CG 4.26Å; W142-L229 HydrophobicContact CE3-CB 4.33Å; W142-L229 HydrophobicContact CE3-CD1 3.57Å; W142-L229 HydrophobicContact CZ3-CB 4.19Å; W142-L229 HydrophobicContact CZ3-CD1 4.04Å; W142-M232 HydrophobicContact CH2-CB 4.44Å; W142-M232 WeakPolarHBondContact CH2-O 3.38Å; W142-M232 HydrophobicContact CZ3-CB 4.19Å; W142-L235 HydrophobicContact CH2-CB 4.26Å
143	I	98.1	Very high	97.5	Very high	0 Å²	0	44 Å²	44	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-56.5	-49	176.8	-67.8	168	0	0	0	110.8	L54 I57 S126 L135 E139 S140 S145 R146 I147 L229 L235	L54-I143 HydrophobicContact CD2-CD1 3.99Å; I57-I143 HydrophobicContact CD1-CD1 4.45Å; I57-I143 HydrophobicContact CG2-CG2 3.93Å; S126-I143 WeakPolarHBondContact OG-CG2 3.27Å; L135-I143 HydrophobicContact CD1-CD1 4.04Å; E139-I143 WeakPolarHBondContact O-CG1 3.38Å; E139-I143 PolarHBondContact O-N 3.5Å; S140-I143 PolarHBondContact O-N 3.34Å; I143-S145 PolarHBondContact O-N 3.41Å; I143-R146 WeakPolarHBondContact O-CB 3.43Å; I143-R146 PolarHBondContact O-N 3.09Å; I143-R146 VanDerWaalsContact O-N 3.07Å; I143-I147 HydrophobicContact CG2-CD1 4Å; I143-I147 WeakPolarHBondContact O-CG1 3.26Å; I143-I147 PolarHBondContact O-N 3.13Å; I143-I147 VanDerWaalsContact O-N 3.07Å; I143-L229 HydrophobicContact CD1-CD1 4.07Å; I143-L229 HydrophobicContact CG1-CD1 3.96Å; I143-L235 HydrophobicContact CG2-CD2 3.94Å
144	Q	97.9	Very high	97.4	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-62.1	-32.7	178.5	-71.2	-179.9	81.1	0	0	112.3	L9 S140 L141 W142 R146 I147 H148	L9-Q144 HydrophobicContact CB-CB 4.04Å; L9-Q144 HydrophobicContact CD1-CB 4.3Å; L9-Q144 PolarHBondContact O-OE1 2.71Å; L9-Q144 VanDerWaalsContact O-OE1 3.11Å; S140-Q144 WeakPolarHBondContact O-CB 3.47Å; S140-Q144 VanDerWaalsContact O-CG 3.31Å; S140-Q144 WeakPolarHBondContact O-CG 3.48Å; S140-Q144 PolarHBondContact O-N 2.96Å; S140-Q144 PolarHBondContact O-NE2 3.02Å; S140-Q144 PolarHBondContact OG-NE2 3.26Å; S140-Q144 VanDerWaalsContact OG-NE2 3.14Å; L141-Q144 PolarHBondContact O-N 3.49Å; W142-Q144 PolarHBondContact O-N 3.41Å; Q144-R146 VanDerWaalsContact C-N 3.33Å; Q144-R146 PolarHBondContact O-N 3.05Å; Q144-I147 PolarHBondContact O-N 3.21Å; Q144-H148 WeakPolarHBondContact O-CB 3.42Å; Q144-H148 PolarHBondContact O-N 3.18Å
145	S	97.9	Very high	97.3	Very high	1 Å²	1	39.9 Å²	39.9	1%	0.007	18%	0.177	C	C	.	.	H	α-helix	trans	-67.5	-32.4	175.1	86.1	0	0	0	0	113.1	L141 W142 I143 H148 L149	L141-S145 WeakPolarHBondContact O-CB 3.4Å; L141-S145 PolarHBondContact O-N 3.47Å; W142-S145 WeakPolarHBondContact O-CB 3.42Å; W142-S145 PolarHBondContact O-N 3.5Å; W142-S145 PolarHBondContact O-OG 3.14Å; I143-S145 PolarHBondContact O-N 3.41Å; S145-H148 WeakPolarHBondContact O-CB 3.29Å; S145-H148 PolarHBondContact O-N 3.37Å; S145-L149 WeakPolarHBondContact O-CG 3.47Å; S145-L149 PolarHBondContact O-N 3.47Å; S145-L149 VanDerWaalsContact O-N 3.1Å
146	R	97.2	Very high	97.2	Very high	74 Å²	74	43.9 Å²	43.9	28%	0.279	21%	0.205	S	C	.	.	H	α-helix	trans	-69.5	-44	173.2	-56.9	-47.8	-61.3	-175.1	-7.7	111.1	W142 I143 Q144 H148 L149 R150 L235	W142-R146 HydrophobicContact CD2-CG 4.2Å; W142-R146 HydrophobicContact CE3-CG 4.33Å; W142-R146 HydrophobicContact CH2-CG 3.99Å; W142-R146 HydrophobicContact CZ2-CG 3.84Å; W142-R146 HydrophobicContact CZ3-CG 4.24Å; W142-R146 WeakPolarHBondContact O-CG 3.42Å; W142-R146 PolarHBondContact O-N 2.85Å; W142-R146 VanDerWaalsContact O-N 3.14Å; I143-R146 WeakPolarHBondContact O-CB 3.43Å; I143-R146 PolarHBondContact O-N 3.09Å; I143-R146 VanDerWaalsContact O-N 3.07Å; Q144-R146 VanDerWaalsContact C-N 3.33Å; Q144-R146 PolarHBondContact O-N 3.05Å; R146-H148 VanDerWaalsContact C-N 3.29Å; R146-H148 PolarHBondContact O-N 3.23Å; R146-L149 PolarHBondContact O-N 3.33Å; R146-R150 WeakPolarHBondContact O-CG 3.15Å; R146-R150 PolarHBondContact O-N 2.98Å; R146-L235 HydrophobicContact CB-CB 4.41Å; R146-L235 HydrophobicContact CB-CD2 3.64Å; R146-L235 HydrophobicContact CB-CG 4.35Å; R146-L235 HydrophobicContact CG-CB 4.37Å; R146-L235 HydrophobicContact CG-CD2 4.06Å; R146-L235 PolarHBondContact NE-O 3.16Å; R146-L235 PolarHBondContact NH2-O 2.91Å
147	I	97.1	Very high	97.1	Very high	1 Å²	1	44.7 Å²	44.7	1%	0.005	21%	0.206	C	C	.	.	H	α-helix	trans	-58.4	-44	172.7	-61.5	165.8	0	0	0	110.1	L12 Y119 M122 I143 Q144 L149 R150 A151	L12-I147 HydrophobicContact CD1-CB 4.47Å; L12-I147 HydrophobicContact CD1-CG2 4.24Å; Y119-I147 HydrophobicContact CD1-CG2 4.24Å; Y119-I147 HydrophobicContact CG-CG2 3.96Å; M122-I147 HydrophobicContact CB-CD1 3.45Å; M122-I147 VanDerWaalsContact CB-CD1 3.45Å; M122-I147 HydrophobicContact CB-CG1 4.26Å; M122-I147 HydrophobicContact CE-CD1 4.07Å; M122-I147 HydrophobicContact CE-CG1 3.79Å; M122-I147 HydrophobicContact SD-CG1 4.43Å; I143-I147 HydrophobicContact CG2-CD1 4Å; I143-I147 WeakPolarHBondContact O-CG1 3.26Å; I143-I147 PolarHBondContact O-N 3.13Å; I143-I147 VanDerWaalsContact O-N 3.07Å; Q144-I147 PolarHBondContact O-N 3.21Å; I147-L149 PolarHBondContact O-N 3.17Å; I147-R150 PolarHBondContact O-N 3.18Å; I147-A151 WeakPolarHBondContact O-CB 3.31Å; I147-A151 PolarHBondContact O-N 2.88Å
148	H	97.9	Very high	97	Very high	1 Å²	1	41.3 Å²	41.3	1%	0.005	19%	0.19	C	C	.	.	H	α-helix	trans	-58.1	-48.6	178.1	-175.8	-147.3	0	0	0	112.5	L9 L12 Q144 S145 R146 R150 A151 L152 Q217 Y222	L9-H148 HydrophobicContact CD2-CB 3.56Å; L12-H148 HydrophobicContact CD1-CB 3.78Å; Q144-H148 WeakPolarHBondContact O-CB 3.42Å; Q144-H148 PolarHBondContact O-N 3.18Å; S145-H148 WeakPolarHBondContact O-CB 3.29Å; S145-H148 PolarHBondContact O-N 3.37Å; R146-H148 VanDerWaalsContact C-N 3.29Å; R146-H148 PolarHBondContact O-N 3.23Å; H148-R150 PolarHBondContact O-N 3.28Å; H148-A151 WeakPolarHBondContact O-CB 3.41Å; H148-A151 PolarHBondContact O-N 3.48Å; H148-A151 VanDerWaalsContact O-N 3.13Å; H148-L152 WeakPolarHBondContact O-CG 3.29Å; H148-L152 PolarHBondContact O-N 2.94Å; H148-Q217 PolarHBondContact CE1-O 3.16Å; H148-Q217 PolarHBondContact NE2-O 2.79Å; H148-Y222 PolarHBondContact CE1-OH 3.49Å; H148-Y222 AromaticContact ND1-CE1 3.91Å; H148-Y222 AromaticContact ND1-CZ 3.92Å; H148-Y222 PolarHBondContact ND1-OH 3.39Å; H148-Y222 VanDerWaalsContact ND1-OH 3.16Å
149	L	97.1	Very high	96.9	Very high	62 Å²	62	43 Å²	43	33%	0.325	19%	0.191	S	C	.	.	H	α-helix	trans	-58.4	-36.7	178.2	-74.7	169.5	0	0	0	112.2	S145 R146 I147 R153 Y222	S145-L149 WeakPolarHBondContact O-CG 3.47Å; S145-L149 PolarHBondContact O-N 3.47Å; S145-L149 VanDerWaalsContact O-N 3.1Å; R146-L149 PolarHBondContact O-N 3.33Å; I147-L149 PolarHBondContact O-N 3.17Å; L149-R153 PolarHBondContact O-N 3.11Å; L149-Y222 HydrophobicContact CD1-CD1 3.9Å; L149-Y222 HydrophobicContact CD1-CE1 3.99Å; L149-Y222 HydrophobicContact CD1-CG 4.44Å; L149-Y222 HydrophobicContact CD2-CD1 4.24Å; L149-Y222 HydrophobicContact CD2-CD2 4.5Å; L149-Y222 HydrophobicContact CD2-CE1 3.64Å; L149-Y222 HydrophobicContact CD2-CE2 3.92Å; L149-Y222 VanDerWaalsContact CD2-CZ 3.45Å; L149-Y222 HydrophobicContact CG-CD1 3.95Å; L149-Y222 HydrophobicContact CG-CE1 3.49Å; L149-Y222 VanDerWaalsContact CG-CE1 3.49Å
150	R	95.1	Very high	96.8	Very high	71 Å²	71	43.9 Å²	43.9	27%	0.268	20%	0.195	S	C	.	.	H	α-helix	trans	-73	-41.1	175.9	-64.6	-177.4	-177	-65.5	5.2	111.9	I61 Y119 R146 I147 H148 L152 R153 Y154 D234 L235	I61-R150 VanDerWaalsContact CD1-NE 3.32Å; Y119-R150 HydrophobicContact CE1-CB 4.42Å; Y119-R150 HydrophobicContact CE2-CB 4.29Å; R146-R150 WeakPolarHBondContact O-CG 3.15Å; R146-R150 PolarHBondContact O-N 2.98Å; I147-R150 PolarHBondContact O-N 3.18Å; H148-R150 PolarHBondContact O-N 3.28Å; R150-L152 VanDerWaalsContact C-N 3.33Å; R150-L152 PolarHBondContact O-N 3.43Å; R150-R153 WeakPolarHBondContact O-CB 3Å; R150-R153 PolarHBondContact O-N 2.95Å; R150-R153 VanDerWaalsContact O-N 3.12Å; R150-Y154 WeakPolarHBondContact O-CD2 3.47Å; R150-Y154 PolarHBondContact O-N 3.14Å; R150-D234 PolarHBondContact NH2-O 3.25Å; R150-L235 PolarHBondContact NE-OXT 3.41Å; R150-L235 PolarHBondContact NH2-OXT 3.45Å
151	A	97	Very high	96.8	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-58.5	-46.5	174.7	0	0	0	0	0	111	L12 Y119 I147 H148 R153 Y154 Y155 Y161 W216	L12-A151 HydrophobicContact CD2-CB 4.23Å; Y119-A151 HydrophobicContact CD2-CB 4.34Å; I147-A151 WeakPolarHBondContact O-CB 3.31Å; I147-A151 PolarHBondContact O-N 2.88Å; H148-A151 WeakPolarHBondContact O-CB 3.41Å; H148-A151 PolarHBondContact O-N 3.48Å; H148-A151 VanDerWaalsContact O-N 3.13Å; A151-R153 PolarHBondContact O-N 3.25Å; A151-Y154 PolarHBondContact O-N 3.13Å; A151-Y155 WeakPolarHBondContact O-CD2 3.21Å; A151-Y155 PolarHBondContact O-N 2.9Å; A151-Y161 HydrophobicContact CB-CD2 4.07Å; A151-Y161 HydrophobicContact CB-CE2 3.75Å; A151-W216 HydrophobicContact CB-CH2 3.92Å; A151-W216 HydrophobicContact CB-CZ2 4.31Å
152	L	97.4	Very high	96.7	Very high	40 Å²	40	43.6 Å²	43.6	21%	0.209	19%	0.193	C	C	.	.	H	α-helix	trans	-59	-28.8	176	-71.3	170.8	0	0	0	113.6	H148 R150 W216 P218 Y222	H148-L152 WeakPolarHBondContact O-CG 3.29Å; H148-L152 PolarHBondContact O-N 2.94Å; R150-L152 VanDerWaalsContact C-N 3.33Å; R150-L152 PolarHBondContact O-N 3.43Å; L152-W216 HydrophobicContact CD2-CD2 4.49Å; L152-W216 HydrophobicContact CD2-CZ2 4.32Å; L152-P218 HydrophobicContact CD1-CB 4.17Å; L152-P218 HydrophobicContact CD1-CG 4.13Å; L152-Y222 WeakPolarHBondContact CD1-OH 3.33Å
153	R	95.6	Very high	96.6	Very high	203 Å²	203	43.9 Å²	43.9	77%	0.766	20%	0.197	S	C	*	.	H	α-helix	trans	-71.8	-30.9	176.9	177	57.8	178.4	175.8	0.5	112.6	L149 R150 A151	L149-R153 PolarHBondContact O-N 3.11Å; R150-R153 WeakPolarHBondContact O-CB 3Å; R150-R153 PolarHBondContact O-N 2.95Å; R150-R153 VanDerWaalsContact O-N 3.12Å; A151-R153 PolarHBondContact O-N 3.25Å
154	Y	94.8	Very high	96.5	Very high	84 Å²	84	43.9 Å²	43.9	33%	0.329	20%	0.197	S	C	.	.	H	α-helix	trans	-109.8	-22.6	-167.8	-74.2	-58.7	0	0	0	114.3	G112 K115 Y119 R150 A151	G112-Y154 PolarHBondContact N-O 3.24Å; K115-Y154 HydrophobicContact CD-CD1 4.21Å; K115-Y154 HydrophobicContact CD-CD2 3.72Å; K115-Y154 HydrophobicContact CD-CE1 4.17Å; K115-Y154 HydrophobicContact CD-CE2 3.67Å; K115-Y154 HydrophobicContact CD-CG 4.01Å; Y119-Y154 HydrophobicContact CE2-CD2 4.3Å; Y119-Y154 WeakPolarHBondContact OH-CE2 3.49Å; R150-Y154 WeakPolarHBondContact O-CD2 3.47Å; R150-Y154 PolarHBondContact O-N 3.14Å; A151-Y154 PolarHBondContact O-N 3.13Å
155	Y	97.2	Very high	96.5	Very high	3 Å²	3	44 Å²	44	1%	0.012	20%	0.198	C	C	.	.			trans	-128.7	143.6	-175	-54.9	-78.5	0	0	0	110.6	C109 G112 G113 K115 A116 Y119 A151 Q160 Y161 W216	C109-Y155 WeakPolarHBondContact O-CD1 3.34Å; C109-Y155 WeakPolarHBondContact O-CE1 3.35Å; G112-Y155 PolarHBondContact O-OH 3.43Å; G113-Y155 PolarHBondContact O-OH 3.32Å; K115-Y155 HydrophobicContact CB-CE2 4.43Å; K115-Y155 PolarHBondContact N-OH 3.44Å; K115-Y155 VanDerWaalsContact N-OH 3.09Å; A116-Y155 HydrophobicContact CB-CE1 4.41Å; A116-Y155 HydrophobicContact CB-CE2 3.86Å; A116-Y155 PolarHBondContact N-OH 3.13Å; Y119-Y155 HydrophobicContact CD2-CE2 4.3Å; Y119-Y155 HydrophobicContact CE2-CE2 4.22Å; A151-Y155 WeakPolarHBondContact O-CD2 3.21Å; A151-Y155 PolarHBondContact O-N 2.9Å; Y155-Q160 HydrophobicContact CD1-CB 4.33Å; Y155-Q160 HydrophobicContact CD1-CG 4.05Å; Y155-Y161 AromaticContact CD2-CD2 3.66Å; Y155-Y161 HydrophobicContact CD2-CD2 3.66Å; Y155-Y161 HydrophobicContact CD2-CE2 4.4Å; Y155-Y161 HydrophobicContact CE2-CD2 4Å; Y155-Y161 HydrophobicContact CE2-CE2 4.48Å; Y155-Y161 HydrophobicContact CG-CD2 4.14Å; Y155-W216 VanDerWaalsContact O-CE2 3.29Å; Y155-W216 VanDerWaalsContact O-CZ2 3.26Å; Y155-W216 WeakPolarHBondContact O-CZ2 3.44Å; Y155-W216 PolarHBondContact O-NE1 3.48Å
156	S	95.9	Very high	96.3	Very high	91 Å²	91	44.7 Å²	44.7	64%	0.636	20%	0.202	S	C	*	.	S	Bend	trans	-99.3	-14.5	-174.6	-60.3	0	0	0	0	113.5
157	N	96.2	Very high	96.2	Very high	68 Å²	68	42.4 Å²	42.4	36%	0.364	19%	0.194	S	C	.	.	S	Bend	trans	-165.9	168.7	179.3	56.2	67.1	0	0	0	111.5	R159 Q160 Y161	N157-R159 VanDerWaalsContact C-N 3.28Å; N157-R159 PolarHBondContact O-N 2.87Å; N157-R159 WeakPolarHBondContact OD1-CA 3.45Å; N157-R159 VanDerWaalsContact OD1-CB 3.32Å; N157-R159 WeakPolarHBondContact OD1-CB 3.17Å; N157-R159 PolarHBondContact OD1-N 3.45Å; N157-Q160 PolarHBondContact O-N 3.34Å; N157-Q160 PolarHBondContact OD1-N 3.38Å; N157-Y161 PolarHBondContact O-N 3.11Å
158	W	96.6	Very high	96.1	Very high	10 Å²	10	42.4 Å²	42.4	4%	0.038	19%	0.194	C	C	.	.	H	α-helix	trans	-58.3	-34.1	177.5	-69.6	116.6	0	0	0	113.8	I8 A11 L12 Y161 F162 F204 Y211 L214 W216	I8-W158 HydrophobicContact CG2-CZ2 4.34Å; A11-W158 HydrophobicContact CB-CH2 3.65Å; A11-W158 HydrophobicContact CB-CZ2 3.97Å; A11-W158 HydrophobicContact CB-CZ3 4.21Å; L12-W158 HydrophobicContact CD2-CH2 3.93Å; L12-W158 HydrophobicContact CD2-CZ3 3.98Å; L12-W158 HydrophobicContact CG-CH2 4.32Å; W158-Y161 HydrophobicContact CE3-CD1 4.07Å; W158-Y161 HydrophobicContact CZ3-CD1 4.07Å; W158-Y161 HydrophobicContact CZ3-CE1 4.32Å; W158-Y161 PolarHBondContact O-N 2.87Å; W158-F162 VanDerWaalsContact O-CB 3.3Å; W158-F162 WeakPolarHBondContact O-CB 3.37Å; W158-F162 PolarHBondContact O-N 3.16Å; W158-F204 HydrophobicContact CB-CE1 4.45Å; W158-F204 HydrophobicContact CB-CZ 4.25Å; W158-Y211 HydrophobicContact CB-CD1 4.42Å; W158-Y211 HydrophobicContact CB-CD2 4.42Å; W158-Y211 HydrophobicContact CB-CG 4.07Å; W158-Y211 AromaticContact CD2-CD1 3.92Å; W158-Y211 HydrophobicContact CD2-CD1 3.92Å; W158-Y211 HydrophobicContact CD2-CE1 4.15Å; W158-Y211 HydrophobicContact CD2-CG 4.45Å; W158-Y211 AromaticContact CE3-CD1 3.91Å; W158-Y211 HydrophobicContact CE3-CD1 3.91Å; W158-Y211 AromaticContact CE3-CE1 3.66Å; W158-Y211 HydrophobicContact CE3-CE1 3.66Å; W158-Y211 HydrophobicContact CG-CD1 4.15Å; W158-Y211 HydrophobicContact CG-CG 4.25Å; W158-Y211 AromaticContact CZ3-CE1 3.97Å; W158-Y211 HydrophobicContact CZ3-CE1 3.97Å; W158-L214 HydrophobicContact CZ2-CD1 4.46Å; W158-L214 PolarHBondContact NE1-O 2.78Å; W158-W216 AromaticContact CD2-CE3 3.55Å; W158-W216 HydrophobicContact CD2-CE3 3.55Å; W158-W216 AromaticContact CD2-CZ3 3.84Å; W158-W216 HydrophobicContact CD2-CZ3 3.84Å; W158-W216 AromaticContact CE2-CE3 3.71Å; W158-W216 AromaticContact CE3-CE3 3.83Å; W158-W216 HydrophobicContact CE3-CE3 3.83Å; W158-W216 AromaticContact CE3-CZ3 3.58Å; W158-W216 HydrophobicContact CE3-CZ3 3.58Å; W158-W216 AromaticContact CG-CE3 3.91Å; W158-W216 HydrophobicContact CG-CE3 3.91Å; W158-W216 HydrophobicContact CG-CZ3 4.49Å; W158-W216 HydrophobicContact CH2-CE3 4.34Å; W158-W216 HydrophobicContact CH2-CZ3 4.14Å; W158-W216 HydrophobicContact CZ2-CE3 4.11Å; W158-W216 HydrophobicContact CZ2-CZ3 4.38Å; W158-W216 HydrophobicContact CZ3-CE3 4.21Å; W158-W216 AromaticContact CZ3-CZ3 3.75Å; W158-W216 HydrophobicContact CZ3-CZ3 3.75Å
159	R	94.9	Very high	95.9	Very high	160 Å²	160	43.1 Å²	43.1	60%	0.604	20%	0.196	S	C	*	.	H	α-helix	trans	-64.6	-44.6	178.2	-65	177.8	-178.4	-90.7	-1.6	111	N157 F162 A163 F204	N157-R159 VanDerWaalsContact C-N 3.28Å; N157-R159 PolarHBondContact O-N 2.87Å; N157-R159 WeakPolarHBondContact OD1-CA 3.45Å; N157-R159 VanDerWaalsContact OD1-CB 3.32Å; N157-R159 WeakPolarHBondContact OD1-CB 3.17Å; N157-R159 PolarHBondContact OD1-N 3.45Å; R159-F162 PolarHBondContact O-N 3.44Å; R159-A163 WeakPolarHBondContact O-CB 3.23Å; R159-A163 PolarHBondContact O-N 2.93Å; R159-F204 HydrophobicContact CB-CE1 4.31Å; R159-F204 HydrophobicContact CB-CZ 4.37Å; R159-F204 HydrophobicContact CG-CD1 4.06Å; R159-F204 HydrophobicContact CG-CE1 3.44Å; R159-F204 VanDerWaalsContact CG-CE1 3.44Å; R159-F204 HydrophobicContact CG-CZ 3.98Å
160	Q	96.2	Very high	95.7	Very high	32 Å²	32	40.7 Å²	40.7	15%	0.15	18%	0.183	C	C	.	.	H	α-helix	trans	-67.4	-41	178.2	-156	-177.6	28.8	0	0	111.6	C108 C109 Y155 N157 A163 G164	C108-Q160 VanDerWaalsContact O-CG 3.29Å; C108-Q160 WeakPolarHBondContact O-CG 3.34Å; C109-Q160 VanDerWaalsContact C-CG 3.47Å; C109-Q160 WeakPolarHBondContact O-CG 3.41Å; Y155-Q160 HydrophobicContact CD1-CB 4.33Å; Y155-Q160 HydrophobicContact CD1-CG 4.05Å; N157-Q160 PolarHBondContact O-N 3.34Å; N157-Q160 PolarHBondContact OD1-N 3.38Å; Q160-A163 PolarHBondContact O-N 3.29Å; Q160-G164 PolarHBondContact O-N 3.26Å
161	Y	97.7	Very high	95.6	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-60.4	-48.1	174	-176.5	-101	0	0	0	111.7	L12 A116 Y119 V120 A151 Y155 N157 W158 A163 G164 Y165 W216	L12-Y161 HydrophobicContact CD2-CE1 4.27Å; L12-Y161 HydrophobicContact CD2-CE2 4.22Å; L12-Y161 PolarHBondContact O-OH 3.02Å; A116-Y161 HydrophobicContact CB-CD2 3.7Å; A116-Y161 HydrophobicContact CB-CE2 3.69Å; A116-Y161 HydrophobicContact CB-CG 4.17Å; A116-Y161 WeakPolarHBondContact CB-O 3.45Å; Y119-Y161 WeakPolarHBondContact CB-OH 3.35Å; Y119-Y161 HydrophobicContact CD2-CE2 4.17Å; V120-Y161 HydrophobicContact CG2-CE1 3.75Å; A151-Y161 HydrophobicContact CB-CD2 4.07Å; A151-Y161 HydrophobicContact CB-CE2 3.75Å; Y155-Y161 AromaticContact CD2-CD2 3.66Å; Y155-Y161 HydrophobicContact CD2-CD2 3.66Å; Y155-Y161 HydrophobicContact CD2-CE2 4.4Å; Y155-Y161 HydrophobicContact CE2-CD2 4Å; Y155-Y161 HydrophobicContact CE2-CE2 4.48Å; Y155-Y161 HydrophobicContact CG-CD2 4.14Å; N157-Y161 PolarHBondContact O-N 3.11Å; W158-Y161 HydrophobicContact CE3-CD1 4.07Å; W158-Y161 HydrophobicContact CZ3-CD1 4.07Å; W158-Y161 HydrophobicContact CZ3-CE1 4.32Å; W158-Y161 PolarHBondContact O-N 2.87Å; Y161-A163 PolarHBondContact O-N 2.82Å; Y161-G164 PolarHBondContact O-N 3.28Å; Y161-Y165 PolarHBondContact O-N 3.24Å; Y161-W216 AromaticContact CD2-CH2 3.73Å; Y161-W216 HydrophobicContact CD2-CH2 3.73Å; Y161-W216 HydrophobicContact CD2-CZ3 4.22Å; Y161-W216 AromaticContact CG-CH2 3.88Å; Y161-W216 HydrophobicContact CG-CH2 3.88Å; Y161-W216 AromaticContact CG-CZ3 3.93Å; Y161-W216 HydrophobicContact CG-CZ3 3.93Å
162	F	95.9	Very high	95.3	Very high	7 Å²	7	43 Å²	43	3%	0.031	19%	0.193	C	C	.	.	H	α-helix	trans	-67.7	-34.1	178.3	-176.1	-104.5	0	0	0	113.2	P15 W158 R159 Y165 T166 M199 F200 L203 F204 Y211	P15-F162 HydrophobicContact CB-CE2 4.28Å; P15-F162 HydrophobicContact CG-CD2 4.04Å; P15-F162 HydrophobicContact CG-CE2 4.17Å; W158-F162 VanDerWaalsContact O-CB 3.3Å; W158-F162 WeakPolarHBondContact O-CB 3.37Å; W158-F162 PolarHBondContact O-N 3.16Å; R159-F162 PolarHBondContact O-N 3.44Å; F162-Y165 HydrophobicContact CD2-CD1 4.24Å; F162-Y165 HydrophobicContact CE2-CD1 4.09Å; F162-Y165 PolarHBondContact O-N 2.77Å; F162-T166 WeakPolarHBondContact CE1-OG1 3.46Å; F162-T166 WeakPolarHBondContact O-CB 3.4Å; F162-T166 PolarHBondContact O-N 3.3Å; F162-T166 PolarHBondContact O-OG1 2.93Å; F162-M199 HydrophobicContact CE2-CB 4.1Å; F162-M199 HydrophobicContact CZ-CB 3.92Å; F162-F200 HydrophobicContact CE1-CB 4.15Å; F162-F200 HydrophobicContact CE1-CD2 4.01Å; F162-F200 HydrophobicContact CZ-CB 4.34Å; F162-L203 HydrophobicContact CD2-CD1 4.12Å; F162-L203 HydrophobicContact CE2-CD1 3.7Å; F162-L203 HydrophobicContact CZ-CD1 4.5Å; F162-F204 HydrophobicContact CB-CE2 3.46Å; F162-F204 VanDerWaalsContact CB-CE2 3.46Å; F162-F204 HydrophobicContact CB-CZ 3.9Å; F162-F204 AromaticContact CD1-CD2 3.88Å; F162-F204 HydrophobicContact CD1-CD2 3.88Å; F162-F204 AromaticContact CD1-CE2 3.47Å; F162-F204 HydrophobicContact CD1-CE2 3.47Å; F162-F204 VanDerWaalsContact CD1-CE2 3.47Å; F162-F204 HydrophobicContact CD2-CE2 4.19Å; F162-F204 HydrophobicContact CE1-CD2 4.24Å; F162-F204 HydrophobicContact CE1-CE2 4.24Å; F162-F204 HydrophobicContact CG-CD2 4.23Å; F162-F204 AromaticContact CG-CE2 3.44Å; F162-F204 HydrophobicContact CG-CE2 3.44Å; F162-F204 VanDerWaalsContact CG-CE2 3.44Å; F162-F204 HydrophobicContact CG-CZ 4.37Å; F162-Y211 HydrophobicContact CB-CE2 4.26Å; F162-Y211 HydrophobicContact CD2-CE2 4Å; F162-Y211 HydrophobicContact CG-CE2 4.41Å
163	A	95.1	Very high	95	Very high	14 Å²	14	44.3 Å²	44.3	12%	0.116	20%	0.197	C	C	.	.	H	α-helix	trans	-61	-46.1	170.5	0	0	0	0	0	110.7	C108 R159 Q160 Y161 Y165 T166 F167	C108-A163 HydrophobicContact CB-CB 4.15Å; C108-A163 WeakPolarHBondContact O-CB 3.08Å; R159-A163 WeakPolarHBondContact O-CB 3.23Å; R159-A163 PolarHBondContact O-N 2.93Å; Q160-A163 PolarHBondContact O-N 3.29Å; Y161-A163 PolarHBondContact O-N 2.82Å; A163-Y165 VanDerWaalsContact C-N 3.29Å; A163-Y165 PolarHBondContact O-N 3.21Å; A163-T166 PolarHBondContact O-N 2.99Å; A163-F167 HydrophobicContact CB-CD2 4.32Å; A163-F167 HydrophobicContact CB-CE2 4.25Å; A163-F167 WeakPolarHBondContact O-CD2 3.31Å; A163-F167 PolarHBondContact O-N 3.3Å
164	G	96.8	Very high	94.8	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-57.3	-40.7	174.4	0	0	0	0	0	113	G113 I114 Q160 Y161 G168	G113-G164 VanDerWaalsContact O-CA 3.31Å; G113-G164 WeakPolarHBondContact O-CA 3.46Å; I114-G164 WeakPolarHBondContact CA-O 3.41Å; Q160-G164 PolarHBondContact O-N 3.26Å; Y161-G164 PolarHBondContact O-N 3.28Å; G164-G168 PolarHBondContact O-N 2.84Å
165	Y	96.1	Very high	94.4	Very high	2 Å²	2	33 Å²	33	1%	0.008	16%	0.161	C	C	.	.	H	α-helix	trans	-64.3	-50.1	173.3	168.4	-97.6	0	0	0	111.8	P15 W117 V120 Y161 F162 A163 F167 G168 R169 M199	P15-Y165 HydrophobicContact CB-CD1 3.75Å; P15-Y165 HydrophobicContact CB-CD2 4.36Å; P15-Y165 HydrophobicContact CB-CE1 3.43Å; P15-Y165 VanDerWaalsContact CB-CE1 3.43Å; P15-Y165 HydrophobicContact CB-CE2 4.07Å; P15-Y165 HydrophobicContact CB-CG 4.21Å; P15-Y165 HydrophobicContact CG-CD1 4.17Å; P15-Y165 HydrophobicContact CG-CE1 4.35Å; P15-Y165 HydrophobicContact CG-CG 4.35Å; W117-Y165 AromaticContact CE3-CD2 3.82Å; W117-Y165 HydrophobicContact CE3-CD2 3.82Å; W117-Y165 AromaticContact CE3-CE2 3.57Å; W117-Y165 HydrophobicContact CE3-CE2 3.57Å; W117-Y165 HydrophobicContact CZ3-CD2 4.39Å; W117-Y165 AromaticContact CZ3-CE2 3.68Å; W117-Y165 HydrophobicContact CZ3-CE2 3.68Å; V120-Y165 HydrophobicContact CB-CD2 3.65Å; V120-Y165 HydrophobicContact CB-CE2 4.01Å; V120-Y165 HydrophobicContact CG1-CD2 3.75Å; V120-Y165 HydrophobicContact CG1-CE2 3.62Å; V120-Y165 HydrophobicContact CG2-CD2 3.55Å; V120-Y165 HydrophobicContact CG2-CE2 4.3Å; V120-Y165 HydrophobicContact CG2-CG 4Å; Y161-Y165 PolarHBondContact O-N 3.24Å; F162-Y165 HydrophobicContact CD2-CD1 4.24Å; F162-Y165 HydrophobicContact CE2-CD1 4.09Å; F162-Y165 PolarHBondContact O-N 2.77Å; A163-Y165 VanDerWaalsContact C-N 3.29Å; A163-Y165 PolarHBondContact O-N 3.21Å; Y165-F167 PolarHBondContact O-N 2.98Å; Y165-G168 PolarHBondContact O-N 2.64Å; Y165-R169 WeakPolarHBondContact O-CB 3.28Å; Y165-R169 PolarHBondContact O-N 2.82Å; Y165-M199 HydrophobicContact CE1-SD 3.54Å; Y165-M199 VanDerWaalsContact CE1-SD 3.54Å
166	T	94.7	Very high	93.4	Very high	15 Å²	15	40.2 Å²	40.2	9%	0.092	20%	0.195	C	C	.	.	H	α-helix	trans	-57	-53.9	-178	-65.8	0	0	0	0	111.2	F162 A163 G168 R169 Q170 Y192	F162-T166 WeakPolarHBondContact CE1-OG1 3.46Å; F162-T166 WeakPolarHBondContact O-CB 3.4Å; F162-T166 PolarHBondContact O-N 3.3Å; F162-T166 PolarHBondContact O-OG1 2.93Å; A163-T166 PolarHBondContact O-N 2.99Å; T166-G168 VanDerWaalsContact C-N 3.3Å; T166-G168 PolarHBondContact O-N 3.07Å; T166-R169 WeakPolarHBondContact O-CB 3.37Å; T166-R169 PolarHBondContact O-N 3.34Å; T166-Q170 PolarHBondContact O-N 2.89Å; T166-Y192 HydrophobicContact CG2-CD1 4.05Å; T166-Y192 HydrophobicContact CG2-CE1 3.22Å; T166-Y192 WeakPolarHBondContact CG2-OH 3.44Å
167	F	94.9	Very high	92.2	Very high	27 Å²	27	39 Å²	39	12%	0.118	18%	0.181	C	C	.	.	H	α-helix	trans	-71.2	-28.7	-177.9	-67.9	-58.4	0	0	0	111.9	F101 T105 C108 C109 I114 A163 Y165 Y171 K190	F101-F167 HydrophobicContact CE2-CD1 4.34Å; F101-F167 HydrophobicContact CZ-CB 3.91Å; F101-F167 HydrophobicContact CZ-CD1 4.29Å; F101-F167 WeakPolarHBondContact CZ-O 3.06Å; T105-F167 HydrophobicContact CG2-CB 4.34Å; T105-F167 HydrophobicContact CG2-CD1 3.53Å; T105-F167 HydrophobicContact CG2-CD2 4.08Å; T105-F167 HydrophobicContact CG2-CE1 3.74Å; T105-F167 HydrophobicContact CG2-CE2 4.25Å; T105-F167 HydrophobicContact CG2-CG 3.71Å; T105-F167 HydrophobicContact CG2-CZ 4.08Å; C108-F167 HydrophobicContact CB-CE2 3.77Å; C109-F167 WeakPolarHBondContact SG-CD2 3.31Å; I114-F167 HydrophobicContact CG2-CB 4.01Å; A163-F167 HydrophobicContact CB-CD2 4.32Å; A163-F167 HydrophobicContact CB-CE2 4.25Å; A163-F167 WeakPolarHBondContact O-CD2 3.31Å; A163-F167 PolarHBondContact O-N 3.3Å; Y165-F167 PolarHBondContact O-N 2.98Å; F167-Y171 WeakPolarHBondContact O-CB 3.42Å; F167-Y171 PolarHBondContact O-N 3.21Å; F167-K190 HydrophobicContact CE1-CB 4.3Å; F167-K190 HydrophobicContact CE1-CD 4.12Å; F167-K190 HydrophobicContact CE1-CG 4.13Å
168	G	95.5	Very high	91.2	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-69	-35.8	171.2	0	0	0	0	0	113.1	I114 G164 Y165 T166 Y171 W172	I114-G168 VanDerWaalsContact CG2-N 3.34Å; G164-G168 PolarHBondContact O-N 2.84Å; Y165-G168 PolarHBondContact O-N 2.64Å; T166-G168 VanDerWaalsContact C-N 3.3Å; T166-G168 PolarHBondContact O-N 3.07Å; G168-Y171 PolarHBondContact O-N 3.46Å; G168-W172 WeakPolarHBondContact O-CB 3.38Å; G168-W172 PolarHBondContact O-N 3.07Å
169	R	93.5	Very high	90.8	Very high	16 Å²	16	47 Å²	47	6%	0.06	22%	0.221	C	C	.	.	H	α-helix	trans	-65.2	-45.7	172	-173.2	175.2	-178.6	-82.9	9.8	111.4	W117 Y165 T166 Y171 W172 Q173 D193	W117-R169 HydrophobicContact CE3-CB 3.67Å; W117-R169 HydrophobicContact CE3-CG 4.29Å; W117-R169 HydrophobicContact CH2-CB 4.29Å; W117-R169 HydrophobicContact CH2-CG 4.07Å; W117-R169 HydrophobicContact CZ3-CB 3.5Å; W117-R169 HydrophobicContact CZ3-CG 3.6Å; Y165-R169 WeakPolarHBondContact O-CB 3.28Å; Y165-R169 PolarHBondContact O-N 2.82Å; T166-R169 WeakPolarHBondContact O-CB 3.37Å; T166-R169 PolarHBondContact O-N 3.34Å; R169-Y171 VanDerWaalsContact C-N 3.32Å; R169-Y171 PolarHBondContact O-N 3.25Å; R169-W172 PolarHBondContact O-N 3.49Å; R169-W172 VanDerWaalsContact O-N 3.13Å; R169-Q173 VanDerWaalsContact NH1-NE2 3.17Å; R169-Q173 WeakPolarHBondContact O-CG 3.18Å; R169-Q173 PolarHBondContact O-N 2.98Å; R169-D193 IonicContact CZ-OD1 3.99Å; R169-D193 VanDerWaalsContact CZ-OD1 3.29Å; R169-D193 IonicContact CZ-OD2 3.25Å; R169-D193 IonicContact NH1-OD1 3.67Å; R169-D193 PolarHBondContact NH1-OD1 3.4Å; R169-D193 IonicContact NH1-OD2 3.83Å; R169-D193 PolarHBondContact NH1-OD2 3.17Å; R169-D193 VanDerWaalsContact NH2-CG 3.32Å; R169-D193 IonicContact NH2-OD1 3.66Å; R169-D193 PolarHBondContact NH2-OD1 3.2Å; R169-D193 IonicContact NH2-OD2 2.88Å; R169-D193 PolarHBondContact NH2-OD2 2.95Å
170	Q	92.3	Very high	90.5	Very high	11 Å²	11	40.9 Å²	40.9	5%	0.051	20%	0.2	C	C	.	.	H	α-helix	trans	-58.9	-45.6	174.7	-171	-167.6	-4.2	0	0	110.9	T166 W172 Q173 S174 F186 L187 K190	T166-Q170 PolarHBondContact O-N 2.89Å; Q170-W172 VanDerWaalsContact C-N 3.33Å; Q170-W172 PolarHBondContact O-N 2.97Å; Q170-Q173 PolarHBondContact O-N 2.88Å; Q170-S174 PolarHBondContact O-N 2.85Å; Q170-S174 VanDerWaalsContact O-N 3.07Å; Q170-F186 HydrophobicContact CG-CD1 4.4Å; Q170-F186 HydrophobicContact CG-CE1 3.85Å; Q170-F186 PolarHBondContact NE2-O 3.44Å; Q170-F186 WeakPolarHBondContact O-CE1 3.45Å; Q170-L187 PolarHBondContact NE2-O 3.03Å; Q170-L187 VanDerWaalsContact NE2-O 3.11Å; Q170-K190 VanDerWaalsContact NE2-CA 3.28Å
171	Y	93.2	Very high	90.2	Very high	18 Å²	18	43.6 Å²	43.6	7%	0.071	22%	0.221	C	C	.	.	H	α-helix	trans	-60.1	-42.1	174.1	168.1	-103.1	0	0	0	112.3	H65 R68 L69 Y98 I114 F167 G168 R169 Q173 S174	H65-Y171 HydrophobicContact CB-CE1 4.43Å; R68-Y171 WeakPolarHBondContact CB-OH 3.44Å; R68-Y171 WeakPolarHBondContact CD-OH 3.34Å; R68-Y171 VanDerWaalsContact CG-OH 3.26Å; R68-Y171 WeakPolarHBondContact CG-OH 3.33Å; L69-Y171 HydrophobicContact CD1-CD1 4.37Å; L69-Y171 HydrophobicContact CD1-CD2 3.7Å; L69-Y171 HydrophobicContact CD1-CE2 4Å; L69-Y171 HydrophobicContact CD1-CG 3.9Å; L69-Y171 HydrophobicContact CD2-CD2 4.47Å; L69-Y171 HydrophobicContact CD2-CE2 3.98Å; L69-Y171 HydrophobicContact CG-CD2 4.21Å; L69-Y171 HydrophobicContact CG-CE1 4.43Å; L69-Y171 HydrophobicContact CG-CE2 3.98Å; Y98-Y171 HydrophobicContact CD1-CD2 4.36Å; Y98-Y171 AromaticContact CD1-CE2 3.99Å; Y98-Y171 HydrophobicContact CD1-CE2 3.99Å; Y98-Y171 HydrophobicContact CE1-CD2 4.14Å; Y98-Y171 AromaticContact CE1-CE2 3.59Å; Y98-Y171 HydrophobicContact CE1-CE2 3.59Å; I114-Y171 HydrophobicContact CD1-CD1 3.54Å; I114-Y171 HydrophobicContact CD1-CE1 4.17Å; I114-Y171 HydrophobicContact CD1-CG 4.03Å; F167-Y171 WeakPolarHBondContact O-CB 3.42Å; F167-Y171 PolarHBondContact O-N 3.21Å; G168-Y171 PolarHBondContact O-N 3.46Å; R169-Y171 VanDerWaalsContact C-N 3.32Å; R169-Y171 PolarHBondContact O-N 3.25Å; Y171-Q173 VanDerWaalsContact C-N 3.32Å; Y171-Q173 PolarHBondContact O-N 3.09Å; Y171-S174 WeakPolarHBondContact O-CB 3.17Å; Y171-S174 PolarHBondContact O-N 2.79Å; Y171-S174 PolarHBondContact O-OG 3.32Å
172	W	91.8	Very high	89.9	Confident	103 Å²	103	47.1 Å²	47.1	39%	0.39	24%	0.239	S	C	.	.	H	α-helix	trans	-65.2	-32.9	176.6	173.8	68	0	0	0	113.4	H65 W117 G168 R169 Q170 S174	H65-W172 AromaticContact CD2-CD1 3.2Å; H65-W172 AromaticContact CD2-NE1 3.91Å; H65-W172 AromaticContact NE2-CD1 3.41Å; H65-W172 AromaticContact NE2-NE1 3.65Å; W117-W172 AromaticContact CE2-CG 3.97Å; W117-W172 HydrophobicContact CH2-CB 4.42Å; W117-W172 AromaticContact CH2-CD2 3.91Å; W117-W172 HydrophobicContact CH2-CD2 3.91Å; W117-W172 AromaticContact CH2-CE3 3.67Å; W117-W172 HydrophobicContact CH2-CE3 3.67Å; W117-W172 HydrophobicContact CH2-CG 4.23Å; W117-W172 HydrophobicContact CH2-CZ3 4.36Å; W117-W172 HydrophobicContact CZ2-CB 3.67Å; W117-W172 AromaticContact CZ2-CD2 3.48Å; W117-W172 HydrophobicContact CZ2-CD2 3.48Å; W117-W172 VanDerWaalsContact CZ2-CD2 3.48Å; W117-W172 AromaticContact CZ2-CE3 3.77Å; W117-W172 HydrophobicContact CZ2-CE3 3.77Å; W117-W172 AromaticContact CZ2-CG 3.41Å; W117-W172 HydrophobicContact CZ2-CG 3.41Å; W117-W172 VanDerWaalsContact CZ2-CG 3.41Å; G168-W172 WeakPolarHBondContact O-CB 3.38Å; G168-W172 PolarHBondContact O-N 3.07Å; R169-W172 PolarHBondContact O-N 3.49Å; R169-W172 VanDerWaalsContact O-N 3.13Å; Q170-W172 VanDerWaalsContact C-N 3.33Å; Q170-W172 PolarHBondContact O-N 2.97Å; W172-S174 VanDerWaalsContact C-N 3.32Å
173	Q	90.9	Very high	89.7	Confident	66 Å²	66	46.8 Å²	46.8	31%	0.308	24%	0.238	S	C	.	.	H	α-helix	trans	-82.2	-8.8	177.2	-69.5	175.5	-58.1	0	0	113.7	R169 Q170 Y171 F186 D193	R169-Q173 VanDerWaalsContact NH1-NE2 3.17Å; R169-Q173 WeakPolarHBondContact O-CG 3.18Å; R169-Q173 PolarHBondContact O-N 2.98Å; Q170-Q173 PolarHBondContact O-N 2.88Å; Y171-Q173 VanDerWaalsContact C-N 3.32Å; Y171-Q173 PolarHBondContact O-N 3.09Å; Q173-F186 HydrophobicContact CB-CE1 4.23Å; Q173-F186 HydrophobicContact CB-CZ 3.88Å; Q173-D193 PolarHBondContact NE2-OD2 3.22Å
174	S	90.6	Very high	89.6	Confident	19 Å²	19	49.3 Å²	49.3	13%	0.133	24%	0.244	C	C	.	.	S	Bend	trans	-62.3	145.6	-178.1	78.4	0	0	0	0	110.5	Q170 Y171 W172	Q170-S174 PolarHBondContact O-N 2.85Å; Q170-S174 VanDerWaalsContact O-N 3.07Å; Y171-S174 WeakPolarHBondContact O-CB 3.17Å; Y171-S174 PolarHBondContact O-N 2.79Å; Y171-S174 PolarHBondContact O-OG 3.32Å; W172-S174 VanDerWaalsContact C-N 3.32Å
175	P	87.5	Confident	89.4	Confident	30 Å²	30	53.8 Å²	53.8	20%	0.195	27%	0.265	C	S	.	.	P	Polyproline II helix	trans	-58.7	160.6	-179.6	27.7	-37.5	0	0	0	111.7	L182 L183	P175-L182 HydrophobicContact CB-CD2 4.14Å; P175-L182 HydrophobicContact CG-CB 4.42Å; P175-L182 HydrophobicContact CG-CD2 4.19Å; P175-L182 HydrophobicContact CG-CG 4.05Å; P175-L183 HydrophobicContact CG-CB 4.23Å; P175-L183 HydrophobicContact CG-CD1 4.47Å
176	E	76.1	Confident	89.2	Confident	155 Å²	155	56.8 Å²	56.8	72%	0.724	28%	0.278	S	S	*	.	P	Polyproline II helix	trans	-56	157.3	174.5	-68.1	-171.9	-170.8	0	0	112.4	D178 H179	E176-D178 PolarHBondContact O-N 3.03Å; E176-H179 PolarHBondContact O-N 3.45Å
177	D	70.3	Confident	89.1	Confident	67 Å²	67	56.3 Å²	56.3	36%	0.358	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67	-8.8	-165.4	-66.3	-14.8	0	0	0	114.3	R68 Q94 Y98	R68-D177 IonicContact CZ-OD2 3.38Å; R68-D177 IonicContact NH1-OD1 3.7Å; R68-D177 IonicContact NH1-OD2 3.1Å; R68-D177 PolarHBondContact NH1-OD2 3.15Å; R68-D177 VanDerWaalsContact NH1-OD2 3.1Å; R68-D177 IonicContact NH2-OD1 3.83Å; R68-D177 IonicContact NH2-OD2 2.7Å; R68-D177 PolarHBondContact NH2-OD2 3.09Å; Q94-D177 VanDerWaalsContact NE2-CB 3.3Å; Q94-D177 PolarHBondContact NE2-OD1 3.35Å; Q94-D177 PolarHBondContact NE2-OD2 3.48Å; Y98-D177 PolarHBondContact OH-OD1 2.96Å
178	D	75.5	Confident	88.9	Confident	142 Å²	142	58.2 Å²	58.2	76%	0.759	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.5	-14.4	-175.9	67.6	-18.9	0	0	0	114	E176	E176-D178 PolarHBondContact O-N 3.03Å
179	H	86.8	Confident	88.6	Confident	103 Å²	103	64.4 Å²	64.4	48%	0.477	32%	0.319	S	S	.	.			trans	-112.3	66.6	179.7	-150.4	111.9	0	0	0	113.1	E176 L182 L183	E176-H179 PolarHBondContact O-N 3.45Å; H179-L182 HydrophobicContact CB-CB 4.32Å; H179-L182 WeakPolarHBondContact CD2-CB 3.32Å; H179-L182 PolarHBondContact O-N 3.11Å; H179-L182 VanDerWaalsContact O-N 3.09Å; H179-L183 PolarHBondContact O-N 3.15Å
180	L	89.2	Confident	88.2	Confident	31 Å²	31	67.2 Å²	67.2	16%	0.162	33%	0.332	C	S	.	.	H	α-helix	trans	-50.9	-44.3	-174	-179.3	74.6	0	0	0	115.6	E93 Q94 A97 L182 L183 R184	E93-L180 HydrophobicContact CB-CD1 4.32Å; E93-L180 HydrophobicContact CB-CD2 3.4Å; E93-L180 VanDerWaalsContact CB-CD2 3.4Å; E93-L180 HydrophobicContact CG-CD2 4.21Å; E93-L180 WeakPolarHBondContact OE2-CD2 3.38Å; Q94-L180 HydrophobicContact CB-CD1 4.45Å; A97-L180 HydrophobicContact CB-CD1 4.19Å; L180-L182 VanDerWaalsContact C-N 3.33Å; L180-L182 PolarHBondContact O-N 3.47Å; L180-L183 PolarHBondContact O-N 2.88Å; L180-R184 HydrophobicContact CD1-CG 4.4Å; L180-R184 WeakPolarHBondContact O-CG 3.43Å; L180-R184 PolarHBondContact O-N 2.96Å
181	P	91.1	Very high	87.8	Confident	89 Å²	89	73 Å²	73	58%	0.578	36%	0.359	S	S	*	.	H	α-helix	trans	-60.3	-42.2	178.6	-25.4	36	0	0	0	112.9	R184 E185	P181-R184 PolarHBondContact O-N 3.28Å; P181-E185 WeakPolarHBondContact O-CB 3.3Å; P181-E185 PolarHBondContact O-N 3.43Å
182	L	91	Very high	87.1	Confident	75 Å²	75	76 Å²	76	39%	0.393	37%	0.371	S	S	.	.	H	α-helix	trans	-70.7	-38.4	178.6	-173.8	67.3	0	0	0	110.9	P175 H179 L180 E185 F186	P175-L182 HydrophobicContact CB-CD2 4.14Å; P175-L182 HydrophobicContact CG-CB 4.42Å; P175-L182 HydrophobicContact CG-CD2 4.19Å; P175-L182 HydrophobicContact CG-CG 4.05Å; H179-L182 HydrophobicContact CB-CB 4.32Å; H179-L182 WeakPolarHBondContact CD2-CB 3.32Å; H179-L182 PolarHBondContact O-N 3.11Å; H179-L182 VanDerWaalsContact O-N 3.09Å; L180-L182 VanDerWaalsContact C-N 3.33Å; L180-L182 PolarHBondContact O-N 3.47Å; L182-E185 PolarHBondContact O-N 3.33Å; L182-F186 WeakPolarHBondContact O-CB 3.5Å; L182-F186 PolarHBondContact O-N 3.35Å
183	L	91.5	Very high	86.7	Confident	0 Å²	0	73.7 Å²	73.7	0%	0	37%	0.366	C	S	.	.	H	α-helix	trans	-57.2	-49.4	172.4	177	63.5	0	0	0	111.3	Q94 A97 Y98 P175 H179 L180 F186 L187	Q94-L183 HydrophobicContact CG-CD2 4.21Å; A97-L183 HydrophobicContact CB-CD2 4.42Å; Y98-L183 HydrophobicContact CE1-CD1 4.24Å; Y98-L183 HydrophobicContact CE1-CD2 4.08Å; P175-L183 HydrophobicContact CG-CB 4.23Å; P175-L183 HydrophobicContact CG-CD1 4.47Å; H179-L183 PolarHBondContact O-N 3.15Å; L180-L183 PolarHBondContact O-N 2.88Å; L183-F186 PolarHBondContact O-N 3.29Å; L183-L187 HydrophobicContact CD1-CD1 3.75Å; L183-L187 HydrophobicContact CD1-CG 4.05Å; L183-L187 HydrophobicContact CG-CD1 4.06Å; L183-L187 WeakPolarHBondContact O-CB 3.09Å; L183-L187 WeakPolarHBondContact O-CG 3.26Å; L183-L187 PolarHBondContact O-N 2.91Å
184	R	92.5	Very high	86.5	Confident	67 Å²	67	77.4 Å²	77.4	25%	0.253	39%	0.388	S	S	.	.	H	α-helix	trans	-61.5	-46	178.7	-72.9	179.7	-175.5	-84.7	7.4	111.6	E93 A97 L180 P181 A188	E93-R184 PolarHBondContact O-NH2 2.89Å; A97-R184 HydrophobicContact CB-CG 3.72Å; L180-R184 HydrophobicContact CD1-CG 4.4Å; L180-R184 WeakPolarHBondContact O-CG 3.43Å; L180-R184 PolarHBondContact O-N 2.96Å; P181-R184 PolarHBondContact O-N 3.28Å; R184-A188 WeakPolarHBondContact O-CB 3.43Å; R184-A188 PolarHBondContact O-N 3.36Å
185	E	92.6	Very high	86.2	Confident	93 Å²	93	77.6 Å²	77.6	44%	0.435	39%	0.39	S	S	.	.	H	α-helix	trans	-61.9	-48.5	178.2	-176.9	175.3	-166.5	0	0	111.5	P181 L182 L187 A188 R189	P181-E185 WeakPolarHBondContact O-CB 3.3Å; P181-E185 PolarHBondContact O-N 3.43Å; L182-E185 PolarHBondContact O-N 3.33Å; E185-L187 PolarHBondContact O-N 3.03Å; E185-A188 PolarHBondContact O-N 3.24Å; E185-R189 VanDerWaalsContact CD-NH2 3.31Å; E185-R189 WeakPolarHBondContact O-CG 3.26Å; E185-R189 PolarHBondContact O-N 3.16Å; E185-R189 IonicContact OE1-CZ 2.85Å; E185-R189 IonicContact OE1-NE 3.54Å; E185-R189 IonicContact OE1-NH2 2.55Å; E185-R189 PolarHBondContact OE1-NH2 3.32Å; E185-R189 IonicContact OE2-NH2 3.88Å
186	F	92.2	Very high	86.3	Confident	66 Å²	66	76.3 Å²	76.3	29%	0.289	38%	0.382	S	S	.	.	H	α-helix	trans	-59.9	-47	-179.8	-172.3	-82.5	0	0	0	112	Q170 Q173 L182 L183 A188	Q170-F186 HydrophobicContact CG-CD1 4.4Å; Q170-F186 HydrophobicContact CG-CE1 3.85Å; Q170-F186 PolarHBondContact NE2-O 3.44Å; Q170-F186 WeakPolarHBondContact O-CE1 3.45Å; Q173-F186 HydrophobicContact CB-CE1 4.23Å; Q173-F186 HydrophobicContact CB-CZ 3.88Å; L182-F186 WeakPolarHBondContact O-CB 3.5Å; L182-F186 PolarHBondContact O-N 3.35Å; L183-F186 PolarHBondContact O-N 3.29Å; F186-A188 VanDerWaalsContact C-N 3.33Å; F186-A188 PolarHBondContact O-N 3.36Å
187	L	92.4	Very high	86.9	Confident	4 Å²	4	72.5 Å²	72.5	2%	0.021	37%	0.366	C	S	.	.	H	α-helix	trans	-67.8	-33.4	178.2	-68.4	178.3	0	0	0	112.2	Y98 F101 Q170 L183 E185	Y98-L187 HydrophobicContact CD1-CD1 3.96Å; Y98-L187 HydrophobicContact CE1-CD1 4.2Å; F101-L187 HydrophobicContact CB-CB 4.28Å; F101-L187 HydrophobicContact CB-CD1 4.06Å; F101-L187 HydrophobicContact CD1-CD2 4.48Å; F101-L187 HydrophobicContact CD2-CB 3.83Å; F101-L187 HydrophobicContact CD2-CD2 3.86Å; F101-L187 HydrophobicContact CD2-CG 4.3Å; F101-L187 HydrophobicContact CE2-CD2 3.99Å; F101-L187 HydrophobicContact CG-CB 4.29Å; F101-L187 HydrophobicContact CG-CD1 4.3Å; F101-L187 HydrophobicContact CG-CD2 4.1Å; F101-L187 HydrophobicContact CG-CG 4.47Å; F101-L187 HydrophobicContact CZ-CD2 4.35Å; Q170-L187 PolarHBondContact NE2-O 3.03Å; Q170-L187 VanDerWaalsContact NE2-O 3.11Å; L183-L187 HydrophobicContact CD1-CD1 3.75Å; L183-L187 HydrophobicContact CD1-CG 4.05Å; L183-L187 HydrophobicContact CG-CD1 4.06Å; L183-L187 WeakPolarHBondContact O-CB 3.09Å; L183-L187 WeakPolarHBondContact O-CG 3.26Å; L183-L187 PolarHBondContact O-N 2.91Å; E185-L187 PolarHBondContact O-N 3.03Å
188	A	91.7	Very high	87.8	Confident	68 Å²	68	72.3 Å²	72.3	56%	0.562	37%	0.365	S	S	*	.	H	α-helix	trans	-71.3	-34.3	178.9	0	0	0	0	0	113.3	R184 E185 F186 K190	R184-A188 WeakPolarHBondContact O-CB 3.43Å; R184-A188 PolarHBondContact O-N 3.36Å; E185-A188 PolarHBondContact O-N 3.24Å; F186-A188 VanDerWaalsContact C-N 3.33Å; F186-A188 PolarHBondContact O-N 3.36Å; A188-K190 PolarHBondContact O-N 3.45Å
189	R	88.9	Confident	88.6	Confident	129 Å²	129	65.6 Å²	65.6	49%	0.487	33%	0.329	S	S	.	.	H	α-helix	trans	-61.6	-38.3	-178	-77.9	179.2	-171.7	179.4	1.1	113.5	E185 E191	E185-R189 VanDerWaalsContact CD-NH2 3.31Å; E185-R189 WeakPolarHBondContact O-CG 3.26Å; E185-R189 PolarHBondContact O-N 3.16Å; E185-R189 IonicContact OE1-CZ 2.85Å; E185-R189 IonicContact OE1-NE 3.54Å; E185-R189 IonicContact OE1-NH2 2.55Å; E185-R189 PolarHBondContact OE1-NH2 3.32Å; E185-R189 IonicContact OE2-NH2 3.88Å; R189-E191 HydrophobicContact CB-CB 4.48Å; R189-E191 HydrophobicContact CB-CG 4Å; R189-E191 PolarHBondContact O-N 3.47Å; R189-E191 VanDerWaalsContact O-N 3.13Å
190	K	84	Confident	88.8	Confident	76 Å²	76	64.6 Å²	64.6	33%	0.33	32%	0.324	S	S	.	.			trans	51.3	33.7	-177.9	-60.6	172.6	-173.5	159.3	0	113	S104 F167 Q170 A188	S104-K190 PolarHBondContact O-NZ 2.93Å; S104-K190 VanDerWaalsContact O-NZ 3.09Å; S104-K190 WeakPolarHBondContact OG-CE 3.2Å; S104-K190 PolarHBondContact OG-NZ 3.45Å; F167-K190 HydrophobicContact CE1-CB 4.3Å; F167-K190 HydrophobicContact CE1-CD 4.12Å; F167-K190 HydrophobicContact CE1-CG 4.13Å; Q170-K190 VanDerWaalsContact NE2-CA 3.28Å; A188-K190 PolarHBondContact O-N 3.45Å
191	E	84.6	Confident	88.9	Confident	132 Å²	132	69.8 Å²	69.8	62%	0.617	34%	0.342	S	S	*	.	P	Polyproline II helix	trans	-81.4	136.7	-179.3	-75.1	167	-178.6	0	0	110	R189	R189-E191 HydrophobicContact CB-CB 4.48Å; R189-E191 HydrophobicContact CB-CG 4Å; R189-E191 PolarHBondContact O-N 3.47Å; R189-E191 VanDerWaalsContact O-N 3.13Å
192	Y	78.9	Confident	88.9	Confident	81 Å²	81	68.9 Å²	68.9	32%	0.318	33%	0.33	S	S	.	.	P	Polyproline II helix	trans	-75.8	134.1	165.1	-73.9	-76.8	0	0	0	109	T166 G196 N197	T166-Y192 HydrophobicContact CG2-CD1 4.05Å; T166-Y192 HydrophobicContact CG2-CE1 3.22Å; T166-Y192 WeakPolarHBondContact CG2-OH 3.44Å; Y192-G196 VanDerWaalsContact CD1-C 3.45Å; Y192-N197 VanDerWaalsContact CB-CG 3.43Å; Y192-N197 VanDerWaalsContact CB-OD1 3.25Å; Y192-N197 WeakPolarHBondContact CB-OD1 3.44Å; Y192-N197 PolarHBondContact O-ND2 3.01Å
193	D	83.3	Confident	89.1	Confident	55 Å²	55	65.3 Å²	65.3	29%	0.294	31%	0.312	S	S	.	.	P	Polyproline II helix	trans	-71.6	172.2	157.3	65.3	7.2	0	0	0	110	R169 Q173 S195 G196 N197	R169-D193 IonicContact CZ-OD1 3.99Å; R169-D193 VanDerWaalsContact CZ-OD1 3.29Å; R169-D193 IonicContact CZ-OD2 3.25Å; R169-D193 IonicContact NH1-OD1 3.67Å; R169-D193 PolarHBondContact NH1-OD1 3.4Å; R169-D193 IonicContact NH1-OD2 3.83Å; R169-D193 PolarHBondContact NH1-OD2 3.17Å; R169-D193 VanDerWaalsContact NH2-CG 3.32Å; R169-D193 IonicContact NH2-OD1 3.66Å; R169-D193 PolarHBondContact NH2-OD1 3.2Å; R169-D193 IonicContact NH2-OD2 2.88Å; R169-D193 PolarHBondContact NH2-OD2 2.95Å; Q173-D193 PolarHBondContact NE2-OD2 3.22Å; D193-S195 PolarHBondContact O-N 3.14Å; D193-G196 WeakPolarHBondContact O-CA 3.48Å; D193-G196 PolarHBondContact O-N 3.39Å; D193-G196 PolarHBondContact OD1-N 3.42Å; D193-N197 PolarHBondContact O-N 3.32Å; D193-N197 PolarHBondContact O-ND2 3.04Å
194	D	85.1	Confident	89.1	Confident	144 Å²	144	66.4 Å²	66.4	77%	0.77	32%	0.317	S	S	*	.	H	α-helix	trans	-55	-41.1	-175.5	-63.8	-23.9	0	0	0	112.3	G196 N197 D198	D194-G196 PolarHBondContact O-N 2.96Å; D194-N197 PolarHBondContact O-N 3.09Å; D194-D198 WeakPolarHBondContact O-CB 3.49Å; D194-D198 PolarHBondContact O-N 2.89Å
195	S	85.9	Confident	89	Confident	23 Å²	23	65.7 Å²	65.7	16%	0.161	33%	0.325	C	S	.	.	H	α-helix	trans	-63.9	-40.9	176.4	-176.8	0	0	0	0	112.2	D193 D198 M199	D193-S195 PolarHBondContact O-N 3.14Å; S195-D198 PolarHBondContact O-N 2.86Å; S195-M199 VanDerWaalsContact O-CG 3.27Å; S195-M199 WeakPolarHBondContact O-CG 3.47Å; S195-M199 PolarHBondContact O-N 3Å; S195-M199 WeakPolarHBondContact OG-CE 3.45Å
196	G	88.6	Confident	89	Confident	3 Å²	3	62.6 Å²	62.6	3%	0.031	31%	0.313	C	S	.	.	H	α-helix	trans	-66.9	-38.2	175.5	0	0	0	0	0	113.4	Y192 D193 D194 M199 F200	Y192-G196 VanDerWaalsContact CD1-C 3.45Å; D193-G196 WeakPolarHBondContact O-CA 3.48Å; D193-G196 PolarHBondContact O-N 3.39Å; D193-G196 PolarHBondContact OD1-N 3.42Å; D194-G196 PolarHBondContact O-N 2.96Å; G196-M199 PolarHBondContact O-N 2.99Å; G196-F200 PolarHBondContact O-N 2.7Å
197	N	88.6	Confident	88.9	Confident	75 Å²	75	67.7 Å²	67.7	40%	0.401	34%	0.343	S	S	.	.	H	α-helix	trans	-64.2	-44	174.6	-77.4	-53.2	0	0	0	111.2	Y192 D193 D194 F200 Y201	Y192-N197 VanDerWaalsContact CB-CG 3.43Å; Y192-N197 VanDerWaalsContact CB-OD1 3.25Å; Y192-N197 WeakPolarHBondContact CB-OD1 3.44Å; Y192-N197 PolarHBondContact O-ND2 3.01Å; D193-N197 PolarHBondContact O-N 3.32Å; D193-N197 PolarHBondContact O-ND2 3.04Å; D194-N197 PolarHBondContact O-N 3.09Å; N197-F200 PolarHBondContact O-N 3.42Å; N197-Y201 WeakPolarHBondContact O-CB 3.31Å; N197-Y201 PolarHBondContact O-N 3.42Å
198	D	89.4	Confident	88.7	Confident	62 Å²	62	74.8 Å²	74.8	33%	0.332	38%	0.382	S	S	.	.	H	α-helix	trans	-62.8	-43.4	177.5	-172.6	39.2	0	0	0	111.6	I18 D194 S195 F200 Y201 Q202	I18-D198 HydrophobicContact CG2-CB 4.37Å; I18-D198 WeakPolarHBondContact CG2-OD2 3.38Å; D194-D198 WeakPolarHBondContact O-CB 3.49Å; D194-D198 PolarHBondContact O-N 2.89Å; S195-D198 PolarHBondContact O-N 2.86Å; D198-F200 PolarHBondContact O-N 3.1Å; D198-Y201 PolarHBondContact O-N 3.41Å; D198-Q202 WeakPolarHBondContact O-CG 3.36Å; D198-Q202 PolarHBondContact O-N 3.02Å; D198-Q202 PolarHBondContact OD1-NE2 3.48Å; D198-Q202 PolarHBondContact OD2-NE2 2.83Å
199	M	92.1	Very high	88.7	Confident	1 Å²	1	71.9 Å²	71.9	1%	0.005	36%	0.357	C	S	.	.	H	α-helix	trans	-57.8	-48	172.5	-72	176.2	-143	0	0	112.4	P15 I18 R19 F162 Y165 S195 G196 Y201 L203	P15-M199 HydrophobicContact CB-SD 3.89Å; P15-M199 WeakPolarHBondContact O-CE 3.44Å; I18-M199 HydrophobicContact CB-CG 3.94Å; I18-M199 HydrophobicContact CD1-CB 4.35Å; I18-M199 HydrophobicContact CD1-CG 4.12Å; I18-M199 HydrophobicContact CG2-CG 3.94Å; R19-M199 HydrophobicContact CB-CE 4.08Å; R19-M199 HydrophobicContact CG-CE 4.46Å; F162-M199 HydrophobicContact CE2-CB 4.1Å; F162-M199 HydrophobicContact CZ-CB 3.92Å; Y165-M199 HydrophobicContact CE1-SD 3.54Å; Y165-M199 VanDerWaalsContact CE1-SD 3.54Å; S195-M199 VanDerWaalsContact O-CG 3.27Å; S195-M199 WeakPolarHBondContact O-CG 3.47Å; S195-M199 PolarHBondContact O-N 3Å; S195-M199 WeakPolarHBondContact OG-CE 3.45Å; G196-M199 PolarHBondContact O-N 2.99Å; M199-Y201 VanDerWaalsContact C-N 3.3Å; M199-Y201 PolarHBondContact O-N 3.41Å; M199-L203 HydrophobicContact CB-CD1 4.38Å; M199-L203 WeakPolarHBondContact O-CB 3.49Å; M199-L203 WeakPolarHBondContact O-CG 3.44Å; M199-L203 PolarHBondContact O-N 2.98Å
200	F	91.4	Very high	88.9	Confident	83 Å²	83	66.9 Å²	66.9	36%	0.364	34%	0.339	S	S	.	.	H	α-helix	trans	-61.8	-42.4	178.8	176.5	-101.4	0	0	0	111.3	F162 G196 N197 D198 F204 A205	F162-F200 HydrophobicContact CE1-CB 4.15Å; F162-F200 HydrophobicContact CE1-CD2 4.01Å; F162-F200 HydrophobicContact CZ-CB 4.34Å; G196-F200 PolarHBondContact O-N 2.7Å; N197-F200 PolarHBondContact O-N 3.42Å; D198-F200 PolarHBondContact O-N 3.1Å; F200-F204 HydrophobicContact CD2-CB 4.37Å; F200-F204 HydrophobicContact CD2-CD2 4.31Å; F200-F204 HydrophobicContact CE2-CB 4.16Å; F200-F204 PolarHBondContact O-N 3.41Å; F200-A205 HydrophobicContact CD1-CB 4.25Å; F200-A205 HydrophobicContact CE1-CB 3.9Å; F200-A205 PolarHBondContact O-N 3.02Å
201	Y	91.8	Very high	89.5	Confident	140 Å²	140	63.4 Å²	63.4	55%	0.549	32%	0.323	S	S	.	.	I	π-helix	trans	-62	-55	179.1	-176	-103.3	0	0	0	111.7	N197 D198 M199 L203 A205 S206	N197-Y201 WeakPolarHBondContact O-CB 3.31Å; N197-Y201 PolarHBondContact O-N 3.42Å; D198-Y201 PolarHBondContact O-N 3.41Å; M199-Y201 VanDerWaalsContact C-N 3.3Å; M199-Y201 PolarHBondContact O-N 3.41Å; Y201-L203 VanDerWaalsContact C-N 3.33Å; Y201-L203 PolarHBondContact O-N 3.33Å; Y201-A205 HydrophobicContact CD2-CB 4.11Å; Y201-A205 PolarHBondContact O-N 2.88Å; Y201-S206 PolarHBondContact O-N 2.91Å; Y201-S206 PolarHBondContact O-OG 3.12Å
202	Q	91.4	Very high	89.9	Confident	69 Å²	69	60.9 Å²	60.9	32%	0.322	32%	0.318	S	S	.	.	I	π-helix	trans	-68.2	-29.5	-177.5	-65.4	-175.4	33.3	0	0	113.6	I18 D198 A209 Y210	I18-Q202 HydrophobicContact CD1-CB 3.84Å; I18-Q202 HydrophobicContact CD1-CG 4.48Å; D198-Q202 WeakPolarHBondContact O-CG 3.36Å; D198-Q202 PolarHBondContact O-N 3.02Å; D198-Q202 PolarHBondContact OD1-NE2 3.48Å; D198-Q202 PolarHBondContact OD2-NE2 2.83Å; Q202-A209 WeakPolarHBondContact O-CA 3.32Å; Q202-Y210 PolarHBondContact O-N 3.32Å
203	L	93.9	Very high	90.6	Very high	1 Å²	1	61.9 Å²	61.9	1%	0.005	33%	0.333	C	S	.	.	I	π-helix	trans	-94.1	-22	-174.9	-60.4	175.3	0	0	0	113.9	T14 P15 I18 F162 M199 Y201 Y210 Y211 P212	T14-L203 HydrophobicContact CG2-CD2 3.55Å; P15-L203 HydrophobicContact CB-CD1 4.37Å; P15-L203 HydrophobicContact CG-CD1 4.08Å; I18-L203 HydrophobicContact CD1-CD1 3.98Å; I18-L203 HydrophobicContact CD1-CD2 3.97Å; I18-L203 HydrophobicContact CD1-CG 3.75Å; F162-L203 HydrophobicContact CD2-CD1 4.12Å; F162-L203 HydrophobicContact CE2-CD1 3.7Å; F162-L203 HydrophobicContact CZ-CD1 4.5Å; M199-L203 HydrophobicContact CB-CD1 4.38Å; M199-L203 WeakPolarHBondContact O-CB 3.49Å; M199-L203 WeakPolarHBondContact O-CG 3.44Å; M199-L203 PolarHBondContact O-N 2.98Å; Y201-L203 VanDerWaalsContact C-N 3.33Å; Y201-L203 PolarHBondContact O-N 3.33Å; L203-Y210 HydrophobicContact CD2-CD1 4.42Å; L203-Y211 HydrophobicContact CB-CD2 3.66Å; L203-Y211 HydrophobicContact CB-CE2 3.94Å; L203-Y211 HydrophobicContact CB-CG 4.42Å; L203-Y211 HydrophobicContact CD1-CD2 4.35Å; L203-Y211 HydrophobicContact CD1-CE2 3.74Å; L203-Y211 HydrophobicContact CD2-CD2 4.49Å; L203-Y211 HydrophobicContact CD2-CE2 4.38Å; L203-Y211 HydrophobicContact CG-CD2 4.38Å; L203-Y211 HydrophobicContact CG-CE2 4.23Å; L203-Y211 WeakPolarHBondContact O-CB 3.32Å; L203-Y211 PolarHBondContact O-N 3.16Å; L203-Y211 VanDerWaalsContact O-N 3.15Å; L203-P212 VanDerWaalsContact O-CD 3.22Å; L203-P212 WeakPolarHBondContact O-CD 3.25Å
204	F	92.5	Very high	91.1	Very high	23 Å²	23	60.4 Å²	60.4	10%	0.101	33%	0.325	C	S	.	.	I	π-helix	trans	-137.5	-29.9	-177.1	-74	-71.8	0	0	0	116.8	W158 R159 F162 F200 Y211	W158-F204 HydrophobicContact CB-CE1 4.45Å; W158-F204 HydrophobicContact CB-CZ 4.25Å; R159-F204 HydrophobicContact CB-CE1 4.31Å; R159-F204 HydrophobicContact CB-CZ 4.37Å; R159-F204 HydrophobicContact CG-CD1 4.06Å; R159-F204 HydrophobicContact CG-CE1 3.44Å; R159-F204 VanDerWaalsContact CG-CE1 3.44Å; R159-F204 HydrophobicContact CG-CZ 3.98Å; F162-F204 HydrophobicContact CB-CE2 3.46Å; F162-F204 VanDerWaalsContact CB-CE2 3.46Å; F162-F204 HydrophobicContact CB-CZ 3.9Å; F162-F204 AromaticContact CD1-CD2 3.88Å; F162-F204 HydrophobicContact CD1-CD2 3.88Å; F162-F204 AromaticContact CD1-CE2 3.47Å; F162-F204 HydrophobicContact CD1-CE2 3.47Å; F162-F204 VanDerWaalsContact CD1-CE2 3.47Å; F162-F204 HydrophobicContact CD2-CE2 4.19Å; F162-F204 HydrophobicContact CE1-CD2 4.24Å; F162-F204 HydrophobicContact CE1-CE2 4.24Å; F162-F204 HydrophobicContact CG-CD2 4.23Å; F162-F204 AromaticContact CG-CE2 3.44Å; F162-F204 HydrophobicContact CG-CE2 3.44Å; F162-F204 VanDerWaalsContact CG-CE2 3.44Å; F162-F204 HydrophobicContact CG-CZ 4.37Å; F200-F204 HydrophobicContact CD2-CB 4.37Å; F200-F204 HydrophobicContact CD2-CD2 4.31Å; F200-F204 HydrophobicContact CE2-CB 4.16Å; F200-F204 PolarHBondContact O-N 3.41Å; F204-Y211 HydrophobicContact CD2-CD2 4.19Å; F204-Y211 HydrophobicContact CE1-CD2 4.05Å; F204-Y211 HydrophobicContact CE1-CG 4.4Å; F204-Y211 AromaticContact CE2-CD2 3.41Å; F204-Y211 HydrophobicContact CE2-CD2 3.41Å; F204-Y211 VanDerWaalsContact CE2-CD2 3.41Å; F204-Y211 HydrophobicContact CE2-CE2 4.01Å; F204-Y211 HydrophobicContact CE2-CG 4.47Å; F204-Y211 AromaticContact CZ-CD2 3.33Å; F204-Y211 HydrophobicContact CZ-CD2 3.33Å; F204-Y211 HydrophobicContact CZ-CE2 4.16Å; F204-Y211 HydrophobicContact CZ-CG 4.06Å
205	A	91	Very high	91.6	Very high	52 Å²	52	57 Å²	57	43%	0.43	31%	0.312	S	S	.	.	I	π-helix	trans	-106.6	-20.2	-164.2	0	0	0	0	0	114.7	F200 Y201	F200-A205 HydrophobicContact CD1-CB 4.25Å; F200-A205 HydrophobicContact CE1-CB 3.9Å; F200-A205 PolarHBondContact O-N 3.02Å; Y201-A205 HydrophobicContact CD2-CB 4.11Å; Y201-A205 PolarHBondContact O-N 2.88Å
206	S	92.1	Very high	92.1	Very high	27 Å²	27	58.1 Å²	58.1	19%	0.189	31%	0.313	C	S	.	.	S	Bend	trans	-74.4	158.7	173.4	65.6	0	0	0	0	111.9	Y201 D208 A209	Y201-S206 PolarHBondContact O-N 2.91Å; Y201-S206 PolarHBondContact O-OG 3.12Å; S206-D208 PolarHBondContact O-N 2.77Å; S206-A209 WeakPolarHBondContact O-CB 3.19Å; S206-A209 PolarHBondContact O-N 2.97Å; S206-A209 VanDerWaalsContact O-N 3.11Å; S206-A209 WeakPolarHBondContact OG-CA 3.43Å; S206-A209 PolarHBondContact OG-N 3.11Å
207	D	88.7	Confident	92.4	Very high	173 Å²	173	62.7 Å²	62.7	93%	0.925	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-29.2	176	-69.1	-30.5	0	0	0	112.1
208	D	88.6	Confident	92.8	Very high	154 Å²	154	63.3 Å²	63.3	82%	0.824	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.6	24.9	177.2	-61	-46.4	0	0	0	112.5	S206 Y210	S206-D208 PolarHBondContact O-N 2.77Å; D208-Y210 PolarHBondContact O-N 2.8Å
209	A	92.9	Very high	93.2	Very high	6 Å²	6	61 Å²	61	5%	0.05	33%	0.329	C	S	.	.			trans	-59.3	131.7	-175.1	0	0	0	0	0	112.7	Q202 S206 P212	Q202-A209 WeakPolarHBondContact O-CA 3.32Å; S206-A209 WeakPolarHBondContact O-CB 3.19Å; S206-A209 PolarHBondContact O-N 2.97Å; S206-A209 VanDerWaalsContact O-N 3.11Å; S206-A209 WeakPolarHBondContact OG-CA 3.43Å; S206-A209 PolarHBondContact OG-N 3.11Å; A209-P212 HydrophobicContact CB-CG 3.96Å; A209-P212 WeakPolarHBondContact O-CD 3.33Å
210	Y	93	Very high	93.3	Very high	24 Å²	24	65.8 Å²	65.8	9%	0.094	37%	0.369	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-44.9	-169.5	-176.3	-127.4	0	0	0	114.5	A11 T14 H27 Q202 L203 D208 T213 L214	A11-Y210 HydrophobicContact CB-CE1 3.87Å; T14-Y210 HydrophobicContact CG2-CD1 4Å; T14-Y210 HydrophobicContact CG2-CE1 4.33Å; H27-Y210 HydrophobicContact CB-CD2 4.43Å; H27-Y210 HydrophobicContact CB-CE1 3.93Å; H27-Y210 HydrophobicContact CB-CE2 3.83Å; H27-Y210 AromaticContact CD2-CD1 3.98Å; H27-Y210 AromaticContact CD2-CD2 3.54Å; H27-Y210 AromaticContact CD2-CE2 3.84Å; H27-Y210 AromaticContact CD2-CG 3.63Å; H27-Y210 AromaticContact CG-CD1 3.97Å; H27-Y210 AromaticContact CG-CE1 3.85Å; H27-Y210 AromaticContact CG-CE2 3.97Å; H27-Y210 AromaticContact CG-CZ 3.85Å; H27-Y210 AromaticContact NE2-CG 3.83Å; Q202-Y210 PolarHBondContact O-N 3.32Å; L203-Y210 HydrophobicContact CD2-CD1 4.42Å; D208-Y210 PolarHBondContact O-N 2.8Å; Y210-T213 PolarHBondContact O-N 3.04Å; Y210-T213 VanDerWaalsContact O-N 3.16Å; Y210-T213 PolarHBondContact O-OG1 2.96Å; Y210-L214 HydrophobicContact CD1-CD1 4.25Å; Y210-L214 HydrophobicContact CE1-CD1 3.73Å; Y210-L214 HydrophobicContact CE2-CD1 4.17Å; Y210-L214 HydrophobicContact CE2-CD2 4.5Å; Y210-L214 HydrophobicContact CE2-CG 4.46Å
211	Y	95.2	Very high	93.5	Very high	3 Å²	3	68.7 Å²	68.7	1%	0.012	38%	0.379	C	S	.	.	G	3₁₀ helix	trans	-67.4	-36.1	-175.4	-72.4	-36.4	0	0	0	115.1	A11 P15 W158 F162 L203 F204 T213 L214	A11-Y211 HydrophobicContact CB-CE1 4.12Å; A11-Y211 WeakPolarHBondContact O-CE1 3.35Å; A11-Y211 PolarHBondContact O-OH 2.91Å; P15-Y211 VanDerWaalsContact CD-OH 3.27Å; P15-Y211 WeakPolarHBondContact CD-OH 3.26Å; P15-Y211 WeakPolarHBondContact CG-OH 3.27Å; W158-Y211 HydrophobicContact CB-CD1 4.42Å; W158-Y211 HydrophobicContact CB-CD2 4.42Å; W158-Y211 HydrophobicContact CB-CG 4.07Å; W158-Y211 AromaticContact CD2-CD1 3.92Å; W158-Y211 HydrophobicContact CD2-CD1 3.92Å; W158-Y211 HydrophobicContact CD2-CE1 4.15Å; W158-Y211 HydrophobicContact CD2-CG 4.45Å; W158-Y211 AromaticContact CE3-CD1 3.91Å; W158-Y211 HydrophobicContact CE3-CD1 3.91Å; W158-Y211 AromaticContact CE3-CE1 3.66Å; W158-Y211 HydrophobicContact CE3-CE1 3.66Å; W158-Y211 HydrophobicContact CG-CD1 4.15Å; W158-Y211 HydrophobicContact CG-CG 4.25Å; W158-Y211 AromaticContact CZ3-CE1 3.97Å; W158-Y211 HydrophobicContact CZ3-CE1 3.97Å; F162-Y211 HydrophobicContact CB-CE2 4.26Å; F162-Y211 HydrophobicContact CD2-CE2 4Å; F162-Y211 HydrophobicContact CG-CE2 4.41Å; L203-Y211 HydrophobicContact CB-CD2 3.66Å; L203-Y211 HydrophobicContact CB-CE2 3.94Å; L203-Y211 HydrophobicContact CB-CG 4.42Å; L203-Y211 HydrophobicContact CD1-CD2 4.35Å; L203-Y211 HydrophobicContact CD1-CE2 3.74Å; L203-Y211 HydrophobicContact CD2-CD2 4.49Å; L203-Y211 HydrophobicContact CD2-CE2 4.38Å; L203-Y211 HydrophobicContact CG-CD2 4.38Å; L203-Y211 HydrophobicContact CG-CE2 4.23Å; L203-Y211 WeakPolarHBondContact O-CB 3.32Å; L203-Y211 PolarHBondContact O-N 3.16Å; L203-Y211 VanDerWaalsContact O-N 3.15Å; F204-Y211 HydrophobicContact CD2-CD2 4.19Å; F204-Y211 HydrophobicContact CE1-CD2 4.05Å; F204-Y211 HydrophobicContact CE1-CG 4.4Å; F204-Y211 AromaticContact CE2-CD2 3.41Å; F204-Y211 HydrophobicContact CE2-CD2 3.41Å; F204-Y211 VanDerWaalsContact CE2-CD2 3.41Å; F204-Y211 HydrophobicContact CE2-CE2 4.01Å; F204-Y211 HydrophobicContact CE2-CG 4.47Å; F204-Y211 AromaticContact CZ-CD2 3.33Å; F204-Y211 HydrophobicContact CZ-CD2 3.33Å; F204-Y211 HydrophobicContact CZ-CE2 4.16Å; F204-Y211 HydrophobicContact CZ-CG 4.06Å; Y211-T213 PolarHBondContact O-N 3.41Å; Y211-T213 VanDerWaalsContact O-N 3.14Å; Y211-L214 HydrophobicContact CD1-CD1 4.31Å; Y211-L214 PolarHBondContact O-N 3.06Å
212	P	94	Very high	93.7	Very high	79 Å²	79	64.7 Å²	64.7	51%	0.513	36%	0.363	S	S	.	.	G	3₁₀ helix	trans	-55.2	-24.7	171.2	-30.5	36.5	0	0	0	114.8	L203 A209 L214	L203-P212 VanDerWaalsContact O-CD 3.22Å; L203-P212 WeakPolarHBondContact O-CD 3.25Å; A209-P212 HydrophobicContact CB-CG 3.96Å; A209-P212 WeakPolarHBondContact O-CD 3.33Å; P212-L214 VanDerWaalsContact C-N 3.28Å; P212-L214 PolarHBondContact O-N 3.14Å
213	T	93.5	Very high	93.7	Very high	103 Å²	103	63 Å²	63	63%	0.632	36%	0.359	S	S	*	.	G	3₁₀ helix	trans	-81.5	-5.3	178.5	75.7	0	0	0	0	113.5	Y210 Y211	Y210-T213 PolarHBondContact O-N 3.04Å; Y210-T213 VanDerWaalsContact O-N 3.16Å; Y210-T213 PolarHBondContact O-OG1 2.96Å; Y211-T213 PolarHBondContact O-N 3.41Å; Y211-T213 VanDerWaalsContact O-N 3.14Å
214	L	94.7	Very high	93.7	Very high	23 Å²	23	66.5 Å²	66.5	12%	0.12	39%	0.388	C	S	.	.	S	Bend	trans	-115.1	136.1	-172.8	-61.9	177.2	0	0	0	112.5	A11 W158 Y210 Y211 P212	A11-L214 HydrophobicContact CB-CD1 3.34Å; W158-L214 HydrophobicContact CZ2-CD1 4.46Å; W158-L214 PolarHBondContact NE1-O 2.78Å; Y210-L214 HydrophobicContact CD1-CD1 4.25Å; Y210-L214 HydrophobicContact CE1-CD1 3.73Å; Y210-L214 HydrophobicContact CE2-CD1 4.17Å; Y210-L214 HydrophobicContact CE2-CD2 4.5Å; Y210-L214 HydrophobicContact CE2-CG 4.46Å; Y211-L214 HydrophobicContact CD1-CD1 4.31Å; Y211-L214 PolarHBondContact O-N 3.06Å; P212-L214 VanDerWaalsContact C-N 3.28Å; P212-L214 PolarHBondContact O-N 3.14Å
215	S	93.8	Very high	94	Very high	72 Å²	72	67.4 Å²	67.4	50%	0.503	40%	0.397	S	S	.	.			trans	-77.3	139.9	170.9	-63.2	0	0	0	0	111.4
216	W	96.3	Very high	94.2	Very high	48 Å²	48	65.5 Å²	65.5	18%	0.182	38%	0.38	C	S	.	.			trans	-91.5	97.7	167.2	-175.6	-91.8	0	0	0	109.5	A151 L152 Y155 W158 Y161	A151-W216 HydrophobicContact CB-CH2 3.92Å; A151-W216 HydrophobicContact CB-CZ2 4.31Å; L152-W216 HydrophobicContact CD2-CD2 4.49Å; L152-W216 HydrophobicContact CD2-CZ2 4.32Å; Y155-W216 VanDerWaalsContact O-CE2 3.29Å; Y155-W216 VanDerWaalsContact O-CZ2 3.26Å; Y155-W216 WeakPolarHBondContact O-CZ2 3.44Å; Y155-W216 PolarHBondContact O-NE1 3.48Å; W158-W216 AromaticContact CD2-CE3 3.55Å; W158-W216 HydrophobicContact CD2-CE3 3.55Å; W158-W216 AromaticContact CD2-CZ3 3.84Å; W158-W216 HydrophobicContact CD2-CZ3 3.84Å; W158-W216 AromaticContact CE2-CE3 3.71Å; W158-W216 AromaticContact CE3-CE3 3.83Å; W158-W216 HydrophobicContact CE3-CE3 3.83Å; W158-W216 AromaticContact CE3-CZ3 3.58Å; W158-W216 HydrophobicContact CE3-CZ3 3.58Å; W158-W216 AromaticContact CG-CE3 3.91Å; W158-W216 HydrophobicContact CG-CE3 3.91Å; W158-W216 HydrophobicContact CG-CZ3 4.49Å; W158-W216 HydrophobicContact CH2-CE3 4.34Å; W158-W216 HydrophobicContact CH2-CZ3 4.14Å; W158-W216 HydrophobicContact CZ2-CE3 4.11Å; W158-W216 HydrophobicContact CZ2-CZ3 4.38Å; W158-W216 HydrophobicContact CZ3-CE3 4.21Å; W158-W216 AromaticContact CZ3-CZ3 3.75Å; W158-W216 HydrophobicContact CZ3-CZ3 3.75Å; Y161-W216 AromaticContact CD2-CH2 3.73Å; Y161-W216 HydrophobicContact CD2-CH2 3.73Å; Y161-W216 HydrophobicContact CD2-CZ3 4.22Å; Y161-W216 AromaticContact CG-CH2 3.88Å; Y161-W216 HydrophobicContact CG-CH2 3.88Å; Y161-W216 AromaticContact CG-CZ3 3.93Å; Y161-W216 HydrophobicContact CG-CZ3 3.93Å
217	Q	95.8	Very high	94.5	Very high	99 Å²	99	70.7 Å²	70.7	46%	0.463	40%	0.401	S	S	.	.			trans	-156	156	-175.3	61.8	-175.7	-15.2	0	0	111.8	I8 H148	I8-Q217 HydrophobicContact CD1-CG 4.47Å; H148-Q217 PolarHBondContact CE1-O 3.16Å; H148-Q217 PolarHBondContact NE2-O 2.79Å
218	P	97.3	Very high	94.9	Very high	88 Å²	88	66.7 Å²	66.7	57%	0.571	38%	0.383	S	S	*	.			trans	-54.8	148.8	167.3	-21.7	32.5	0	0	0	112.5	L152 Y222	L152-P218 HydrophobicContact CD1-CB 4.17Å; L152-P218 HydrophobicContact CD1-CG 4.13Å; P218-Y222 WeakPolarHBondContact CA-OH 3.49Å
219	L	97	Very high	95.2	Very high	12 Å²	12	59.5 Å²	59.5	6%	0.063	34%	0.344	C	S	.	.			trans	-71.5	150.8	171.5	-54	-174.9	0	0	0	110.4	M1 I8 L9 Y221 Y222	M1-L219 HydrophobicContact CE-CD1 4.1Å; M1-L219 HydrophobicContact SD-CD1 4.42Å; I8-L219 HydrophobicContact CB-CD2 4.1Å; I8-L219 HydrophobicContact CD1-CD2 4.12Å; I8-L219 HydrophobicContact CG2-CD2 3.95Å; L9-L219 HydrophobicContact CD1-CD1 4.1Å; L9-L219 HydrophobicContact CD2-CD1 3.88Å; L9-L219 HydrophobicContact CG-CD1 4.02Å; L219-Y221 PolarHBondContact O-N 2.89Å; L219-Y222 HydrophobicContact CB-CD2 4.19Å; L219-Y222 HydrophobicContact CB-CE1 4.21Å; L219-Y222 HydrophobicContact CB-CE2 3.71Å; L219-Y222 HydrophobicContact CD1-CD1 4.26Å; L219-Y222 HydrophobicContact CD1-CE1 3.94Å; L219-Y222 HydrophobicContact CG-CE1 3.95Å; L219-Y222 HydrophobicContact CG-CE2 4.29Å; L219-Y222 PolarHBondContact N-OH 3.1Å; L219-Y222 WeakPolarHBondContact O-CE2 3.48Å
220	A	94.6	Very high	95.2	Very high	102 Å²	102	64.3 Å²	64.3	84%	0.843	36%	0.364	S	S	*	.	S	Bend	trans	-63.7	-31.5	174.4	0	0	0	0	0	112.3
221	Y	94.9	Very high	95	Very high	145 Å²	145	70.7 Å²	70.7	57%	0.569	40%	0.4	S	S	*	.			trans	-146.1	129.6	179	179.6	-99.3	0	0	0	111	L219	L219-Y221 PolarHBondContact O-N 2.89Å
222	Y	96.1	Very high	94.8	Very high	56 Å²	56	71.2 Å²	71.2	22%	0.22	40%	0.403	C	S	.	.			trans	-104.5	122.2	170.8	-69.1	-95.6	0	0	0	108.5	H148 L149 L152 P218 L219	H148-Y222 PolarHBondContact CE1-OH 3.49Å; H148-Y222 AromaticContact ND1-CE1 3.91Å; H148-Y222 AromaticContact ND1-CZ 3.92Å; H148-Y222 PolarHBondContact ND1-OH 3.39Å; H148-Y222 VanDerWaalsContact ND1-OH 3.16Å; L149-Y222 HydrophobicContact CD1-CD1 3.9Å; L149-Y222 HydrophobicContact CD1-CE1 3.99Å; L149-Y222 HydrophobicContact CD1-CG 4.44Å; L149-Y222 HydrophobicContact CD2-CD1 4.24Å; L149-Y222 HydrophobicContact CD2-CD2 4.5Å; L149-Y222 HydrophobicContact CD2-CE1 3.64Å; L149-Y222 HydrophobicContact CD2-CE2 3.92Å; L149-Y222 VanDerWaalsContact CD2-CZ 3.45Å; L149-Y222 HydrophobicContact CG-CD1 3.95Å; L149-Y222 HydrophobicContact CG-CE1 3.49Å; L149-Y222 VanDerWaalsContact CG-CE1 3.49Å; L152-Y222 WeakPolarHBondContact CD1-OH 3.33Å; P218-Y222 WeakPolarHBondContact CA-OH 3.49Å; L219-Y222 HydrophobicContact CB-CD2 4.19Å; L219-Y222 HydrophobicContact CB-CE1 4.21Å; L219-Y222 HydrophobicContact CB-CE2 3.71Å; L219-Y222 HydrophobicContact CD1-CD1 4.26Å; L219-Y222 HydrophobicContact CD1-CE1 3.94Å; L219-Y222 HydrophobicContact CG-CE1 3.95Å; L219-Y222 HydrophobicContact CG-CE2 4.29Å; L219-Y222 PolarHBondContact N-OH 3.1Å; L219-Y222 WeakPolarHBondContact O-CE2 3.48Å
223	S	92.3	Very high	94.5	Very high	34 Å²	34	71 Å²	71	24%	0.238	40%	0.404	C	S	.	.	P	Polyproline II helix	trans	-61.9	149.7	179.7	-60.3	0	0	0	0	111.9
224	A	94.6	Very high	94.2	Very high	74 Å²	74	71 Å²	71	61%	0.612	40%	0.399	S	S	*	.	P	Polyproline II helix	trans	-62.2	156.6	168.8	0	0	0	0	0	111.1	W142 P226	W142-A224 VanDerWaalsContact CD1-O 3.3Å; A224-P226 WeakPolarHBondContact O-CD 3.49Å
225	C	97.2	Very high	93.7	Very high	41 Å²	41	70 Å²	70	28%	0.277	39%	0.394	S	S	.	.	P	Polyproline II helix	trans	-61.6	124.1	175	-174.3	0	0	0	0	110.5	W142 L229	W142-C225 HydrophobicContact CH2-CB 4.46Å; W142-C225 HydrophobicContact CZ2-CB 3.64Å; W142-C225 WeakPolarHBondContact CZ2-SG 3.17Å; W142-C225 VanDerWaalsContact NE1-CA 3.28Å; C225-L229 PolarHBondContact SG-O 3.39Å; C225-L229 VanDerWaalsContact SG-O 3.42Å
226	P	96.9	Very high	93.7	Very high	12 Å²	12	69.9 Å²	69.9	8%	0.078	39%	0.388	C	S	.	.	P	Polyproline II helix	trans	-59.4	144.2	172.1	-23.8	34.5	0	0	0	111.1	E138 E139 W142 A224 T228 L229 K230	E138-P226 HydrophobicContact CG-CG 4.2Å; E139-P226 HydrophobicContact CG-CB 4.43Å; E139-P226 HydrophobicContact CG-CG 4.49Å; W142-P226 HydrophobicContact CB-CG 4.07Å; W142-P226 VanDerWaalsContact CG-CD 3.44Å; W142-P226 HydrophobicContact CG-CG 4.26Å; A224-P226 WeakPolarHBondContact O-CD 3.49Å; P226-T228 PolarHBondContact O-N 3.12Å; P226-T228 VanDerWaalsContact O-N 3.12Å; P226-L229 PolarHBondContact O-N 2.89Å; P226-K230 PolarHBondContact O-N 3.26Å
227	E	96.8	Very high	93.6	Very high	137 Å²	137	71 Å²	71	64%	0.64	40%	0.399	S	S	*	.	G	3₁₀ helix	trans	-54.1	-34	177.9	-72.4	-70.6	132.4	0	0	112.7	L229 K230	E227-L229 PolarHBondContact O-N 3.22Å; E227-K230 WeakPolarHBondContact O-CG 3.29Å; E227-K230 PolarHBondContact O-N 3.35Å; E227-K230 WeakPolarHBondContact OE1-CE 3.47Å; E227-K230 IonicContact OE1-NZ 2.63Å; E227-K230 PolarHBondContact OE1-NZ 3.45Å; E227-K230 WeakPolarHBondContact OE2-CE 3.49Å; E227-K230 IonicContact OE2-NZ 3.6Å; E227-K230 PolarHBondContact OE2-NZ 3.27Å
228	T	96.8	Very high	93.4	Very high	88 Å²	88	69.4 Å²	69.4	54%	0.54	40%	0.396	S	S	.	.	G	3₁₀ helix	trans	-74.5	-7.8	179.9	56.6	0	0	0	0	114.5	R50 E139 P226	R50-T228 PolarHBondContact NH2-O 2.89Å; E139-T228 VanDerWaalsContact CD-OG1 3.31Å; E139-T228 VanDerWaalsContact OE1-CB 3.25Å; E139-T228 WeakPolarHBondContact OE1-CB 3.26Å; E139-T228 PolarHBondContact OE1-OG1 3.35Å; P226-T228 PolarHBondContact O-N 3.12Å; P226-T228 VanDerWaalsContact O-N 3.12Å
229	L	96.3	Very high	93.2	Very high	3 Å²	3	68.4 Å²	68.4	2%	0.016	39%	0.386	C	S	.	.	G	3₁₀ helix	trans	-122.5	19.6	178.5	-63.7	-177.1	0	0	0	112.5	L54 E139 W142 I143 C225 P226 E227 D231 M232	L54-L229 HydrophobicContact CD1-CD2 3.85Å; L54-L229 HydrophobicContact CD2-CD2 3.74Å; L54-L229 HydrophobicContact CG-CD2 4.48Å; E139-L229 HydrophobicContact CB-CD1 3.75Å; E139-L229 HydrophobicContact CB-CG 4.37Å; E139-L229 HydrophobicContact CG-CD1 3.8Å; E139-L229 HydrophobicContact CG-CD2 4.49Å; E139-L229 HydrophobicContact CG-CG 3.92Å; W142-L229 HydrophobicContact CE3-CB 4.33Å; W142-L229 HydrophobicContact CE3-CD1 3.57Å; W142-L229 HydrophobicContact CZ3-CB 4.19Å; W142-L229 HydrophobicContact CZ3-CD1 4.04Å; I143-L229 HydrophobicContact CD1-CD1 4.07Å; I143-L229 HydrophobicContact CG1-CD1 3.96Å; C225-L229 PolarHBondContact SG-O 3.39Å; C225-L229 VanDerWaalsContact SG-O 3.42Å; P226-L229 PolarHBondContact O-N 2.89Å; E227-L229 PolarHBondContact O-N 3.22Å; L229-D231 PolarHBondContact O-N 3.3Å; L229-M232 HydrophobicContact CB-CB 4.42Å; L229-M232 HydrophobicContact CD2-CG 4.44Å; L229-M232 WeakPolarHBondContact O-CA 3.48Å; L229-M232 WeakPolarHBondContact O-CB 3.39Å; L229-M232 PolarHBondContact O-N 2.71Å
230	K	92.1	Very high	93	Very high	107 Å²	107	71.9 Å²	71.9	47%	0.465	41%	0.406	S	S	.	.	G	3₁₀ helix	trans	-54	-37	178.8	-84.7	178	158.7	176.3	0	114	P226 E227 M232 S233	P226-K230 PolarHBondContact O-N 3.26Å; E227-K230 WeakPolarHBondContact O-CG 3.29Å; E227-K230 PolarHBondContact O-N 3.35Å; E227-K230 WeakPolarHBondContact OE1-CE 3.47Å; E227-K230 IonicContact OE1-NZ 2.63Å; E227-K230 PolarHBondContact OE1-NZ 3.45Å; E227-K230 WeakPolarHBondContact OE2-CE 3.49Å; E227-K230 IonicContact OE2-NZ 3.6Å; E227-K230 PolarHBondContact OE2-NZ 3.27Å; K230-M232 PolarHBondContact O-N 3.37Å; K230-S233 WeakPolarHBondContact O-CB 3.39Å; K230-S233 PolarHBondContact O-N 3.18Å; K230-S233 VanDerWaalsContact O-N 3.09Å; K230-S233 PolarHBondContact O-OG 3.43Å
231	D	89.9	Confident	92.9	Very high	159 Å²	159	69.9 Å²	69.9	85%	0.85	38%	0.377	S	S	*	.	G	3₁₀ helix	trans	-70.9	-10.6	178.2	-60.8	-29.1	0	0	0	113.1	L229	L229-D231 PolarHBondContact O-N 3.3Å
232	M	89.6	Confident	92.7	Very high	14 Å²	14	64.5 Å²	64.5	7%	0.069	36%	0.363	C	S	.	.	G	3₁₀ helix	trans	-103.3	9	174.6	-57.6	-74.5	-72.2	0	0	111.8	L54 I57 H58 W142 L229 K230 D234 L235	L54-M232 HydrophobicContact CB-SD 4.4Å; L54-M232 HydrophobicContact CD2-CE 4.4Å; L54-M232 WeakPolarHBondContact O-CE 3.27Å; I57-M232 HydrophobicContact CG2-CE 4.38Å; H58-M232 HydrophobicContact CB-CE 3.55Å; H58-M232 HydrophobicContact CB-SD 3.75Å; H58-M232 VanDerWaalsContact CD2-SD 3.56Å; W142-M232 HydrophobicContact CH2-CB 4.44Å; W142-M232 WeakPolarHBondContact CH2-O 3.38Å; W142-M232 HydrophobicContact CZ3-CB 4.19Å; L229-M232 HydrophobicContact CB-CB 4.42Å; L229-M232 HydrophobicContact CD2-CG 4.44Å; L229-M232 WeakPolarHBondContact O-CA 3.48Å; L229-M232 WeakPolarHBondContact O-CB 3.39Å; L229-M232 PolarHBondContact O-N 2.71Å; K230-M232 PolarHBondContact O-N 3.37Å; M232-D234 PolarHBondContact O-N 3.13Å; M232-L235 HydrophobicContact CE-CD1 3.65Å; M232-L235 WeakPolarHBondContact O-CB 3.38Å; M232-L235 PolarHBondContact O-N 3.29Å
233	S	88.2	Confident	92.5	Very high	75 Å²	75	65.2 Å²	65.2	52%	0.524	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-14.7	-169.5	55.2	0	0	0	0	115.3	K230 L235	K230-S233 WeakPolarHBondContact O-CB 3.39Å; K230-S233 PolarHBondContact O-N 3.18Å; K230-S233 VanDerWaalsContact O-N 3.09Å; K230-S233 PolarHBondContact O-OG 3.43Å; S233-L235 VanDerWaalsContact C-N 3.34Å
234	D	87	Confident	92.5	Very high	102 Å²	102	67.8 Å²	67.8	55%	0.545	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-7.7	174.1	65.4	-25.6	0	0	0	114.2	H58 R150 M232	H58-D234 IonicContact CD2-OD1 2.68Å; H58-D234 IonicContact CE1-OD1 3.49Å; H58-D234 IonicContact CE1-OD2 3.54Å; H58-D234 IonicContact NE2-OD1 3.89Å; H58-D234 PolarHBondContact NE2-OD1 3.11Å; H58-D234 IonicContact NE2-OD2 3.71Å; H58-D234 PolarHBondContact NE2-OD2 3.21Å; R150-D234 PolarHBondContact NH2-O 3.25Å; M232-D234 PolarHBondContact O-N 3.13Å
235	L	84.5	Confident	92.3	Very high	1 Å²	1	67.2 Å²	67.2	1%	0.005	37%	0.365	C	S	.	.			trans	-58.5	0	179.5	-154.6	104.7	0	0	0	113.8	I57 M122 W142 I143 R146 R150 M232 S233	I57-L235 HydrophobicContact CG2-CD1 4.33Å; M122-L235 HydrophobicContact CE-CD1 4.44Å; M122-L235 HydrophobicContact CE-CD2 4.43Å; W142-L235 HydrophobicContact CH2-CB 4.26Å; I143-L235 HydrophobicContact CG2-CD2 3.94Å; R146-L235 HydrophobicContact CB-CB 4.41Å; R146-L235 HydrophobicContact CB-CD2 3.64Å; R146-L235 HydrophobicContact CB-CG 4.35Å; R146-L235 HydrophobicContact CG-CB 4.37Å; R146-L235 HydrophobicContact CG-CD2 4.06Å; R146-L235 PolarHBondContact NE-O 3.16Å; R146-L235 PolarHBondContact NH2-O 2.91Å; R150-L235 PolarHBondContact NE-OXT 3.41Å; R150-L235 PolarHBondContact NH2-OXT 3.45Å; M232-L235 HydrophobicContact CE-CD1 3.65Å; M232-L235 WeakPolarHBondContact O-CB 3.38Å; M232-L235 PolarHBondContact O-N 3.29Å; S233-L235 VanDerWaalsContact C-N 3.34Å

Retrieved 235 of 235 residues in 677.8 ms (Link to these results)

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