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HTH-type transcriptional regulator SarU

Positive regulator of RNAII and RNAIII in a cell density-dependent manner. It can contribute to the expression of virulence genes controlled by agr. May also regulate target genes via an agr-independent pathway.

AlphaFold DB , UniProt , Accession Q2G1T7, Species STAA8 (Staphylococcus aureus (strain NCTC 8325 / PS 47)), Gene sarU, Length 247 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	80.3	Confident	91.7	Very high	50 Å²	50	70.5 Å²	70.5	25%	0.246	32%	0.321	C	S	.	.				0	146.9	0	-168.4	174	-46.7	0	0	106.9	T5 F6 Y226 I229 K230 F233	M1-T5 HydrophobicContact CG-CG2 4.03Å; M1-T5 HydrophobicContact SD-CG2 3.9Å; M1-F6 HydrophobicContact SD-CB 4.24Å; M1-F6 HydrophobicContact SD-CD2 3.96Å; M1-Y226 PolarHBondContact N-OH 2.7Å; M1-Y226 VanDerWaalsContact N-OH 3.11Å; M1-I229 HydrophobicContact CE-CG2 4.44Å; M1-K230 HydrophobicContact CB-CG 4.3Å; M1-K230 HydrophobicContact CE-CB 4.15Å; M1-K230 HydrophobicContact CE-CG 4.47Å; M1-K230 HydrophobicContact CG-CG 4.16Å; M1-F233 HydrophobicContact CE-CB 4.1Å; M1-F233 HydrophobicContact CE-CD2 3.48Å; M1-F233 VanDerWaalsContact CE-CD2 3.48Å; M1-F233 HydrophobicContact CE-CE2 4.09Å; M1-F233 HydrophobicContact CE-CG 4Å; M1-F233 HydrophobicContact SD-CB 3.69Å; M1-F233 HydrophobicContact SD-CD2 3.4Å; M1-F233 WeakPolarHBondContact SD-CD2 3.36Å; M1-F233 HydrophobicContact SD-CE2 4.38Å; M1-F233 HydrophobicContact SD-CG 3.98Å
2	D	87	Confident	92.1	Very high	76 Å²	76	65.3 Å²	65.3	41%	0.406	30%	0.297	S	S	.	.			trans	-70.2	148.9	173.6	70	87.3	0	0	0	110	Q4 T5 F6	D2-Q4 VanDerWaalsContact C-N 3.3Å; D2-Q4 PolarHBondContact O-N 2.91Å; D2-Q4 WeakPolarHBondContact OD1-CB 3.43Å; D2-Q4 PolarHBondContact OD1-N 3.03Å; D2-T5 VanDerWaalsContact CG-OG1 3.23Å; D2-T5 PolarHBondContact O-N 3.18Å; D2-T5 WeakPolarHBondContact OD1-CB 3.36Å; D2-T5 PolarHBondContact OD1-N 3.11Å; D2-T5 PolarHBondContact OD1-OG1 3.04Å; D2-T5 VanDerWaalsContact OD1-OG1 3.06Å; D2-T5 WeakPolarHBondContact OD2-CB 3.4Å; D2-T5 PolarHBondContact OD2-OG1 3.31Å; D2-F6 PolarHBondContact O-N 3.29Å
3	Y	89.7	Confident	92.3	Very high	169 Å²	169	62.2 Å²	62.2	66%	0.663	28%	0.284	S	S	*	.	H	α-helix	trans	-60.9	-38.4	-175.3	177.9	-108.3	0	0	0	112.1	T5 F6 E7	Y3-T5 PolarHBondContact O-N 3.38Å; Y3-F6 PolarHBondContact O-N 3.2Å; Y3-E7 HydrophobicContact CD1-CG 4.17Å; Y3-E7 HydrophobicContact CD2-CG 4.27Å; Y3-E7 HydrophobicContact CE1-CG 3.68Å; Y3-E7 HydrophobicContact CE2-CG 3.77Å; Y3-E7 WeakPolarHBondContact CE2-OE1 3.25Å; Y3-E7 HydrophobicContact CG-CG 4.43Å; Y3-E7 VanDerWaalsContact CZ-CG 3.43Å; Y3-E7 WeakPolarHBondContact O-CG 3.48Å; Y3-E7 PolarHBondContact O-N 3.3Å; Y3-E7 PolarHBondContact OH-OE1 3.24Å
4	Q	92.9	Very high	92.4	Very high	136 Å²	136	61.6 Å²	61.6	64%	0.636	28%	0.284	S	S	*	.	H	α-helix	trans	-66.5	-40.5	-177.4	-63	-176.8	-3.5	0	0	112.7	D2 F6 K8	D2-Q4 VanDerWaalsContact C-N 3.3Å; D2-Q4 PolarHBondContact O-N 2.91Å; D2-Q4 WeakPolarHBondContact OD1-CB 3.43Å; D2-Q4 PolarHBondContact OD1-N 3.03Å; Q4-F6 VanDerWaalsContact C-N 3.33Å; Q4-K8 WeakPolarHBondContact O-CG 3.39Å; Q4-K8 PolarHBondContact O-N 3.13Å
5	T	93.7	Very high	92.6	Very high	9 Å²	9	58 Å²	58	6%	0.055	27%	0.268	C	S	.	.	H	α-helix	trans	-60	-47	174.7	-69.4	0	0	0	0	110.5	M1 D2 Y3 K8 V9 F233	M1-T5 HydrophobicContact CG-CG2 4.03Å; M1-T5 HydrophobicContact SD-CG2 3.9Å; D2-T5 VanDerWaalsContact CG-OG1 3.23Å; D2-T5 PolarHBondContact O-N 3.18Å; D2-T5 WeakPolarHBondContact OD1-CB 3.36Å; D2-T5 PolarHBondContact OD1-N 3.11Å; D2-T5 PolarHBondContact OD1-OG1 3.04Å; D2-T5 VanDerWaalsContact OD1-OG1 3.06Å; D2-T5 WeakPolarHBondContact OD2-CB 3.4Å; D2-T5 PolarHBondContact OD2-OG1 3.31Å; Y3-T5 PolarHBondContact O-N 3.38Å; T5-K8 PolarHBondContact O-N 3.22Å; T5-V9 WeakPolarHBondContact O-CG2 3.5Å; T5-V9 PolarHBondContact O-N 2.95Å; T5-V9 VanDerWaalsContact O-N 3.16Å; T5-F233 HydrophobicContact CG2-CB 3.85Å; T5-F233 WeakPolarHBondContact CG2-O 3.45Å
6	F	93.1	Very high	92.8	Very high	40 Å²	40	54.9 Å²	54.9	18%	0.175	25%	0.254	C	S	.	.	H	α-helix	trans	-64.2	-45.6	-179	-166.2	-97	0	0	0	111.8	M1 D2 Y3 Q4 K8 V9 N10 Y166 F233	M1-F6 HydrophobicContact SD-CB 4.24Å; M1-F6 HydrophobicContact SD-CD2 3.96Å; D2-F6 PolarHBondContact O-N 3.29Å; Y3-F6 PolarHBondContact O-N 3.2Å; Q4-F6 VanDerWaalsContact C-N 3.33Å; F6-K8 PolarHBondContact O-N 3.38Å; F6-V9 PolarHBondContact O-N 3.27Å; F6-N10 WeakPolarHBondContact O-CB 3.3Å; F6-N10 PolarHBondContact O-N 3.47Å; F6-Y166 AromaticContact CD1-CE2 3.87Å; F6-Y166 HydrophobicContact CD1-CE2 3.87Å; F6-Y166 HydrophobicContact CD2-CD2 4.32Å; F6-Y166 AromaticContact CD2-CE2 3.97Å; F6-Y166 HydrophobicContact CD2-CE2 3.97Å; F6-Y166 HydrophobicContact CE1-CD2 4.43Å; F6-Y166 AromaticContact CE1-CE2 3.39Å; F6-Y166 HydrophobicContact CE1-CE2 3.39Å; F6-Y166 AromaticContact CE1-CZ 3.46Å; F6-Y166 VanDerWaalsContact CE1-CZ 3.46Å; F6-Y166 WeakPolarHBondContact CE1-OH 3.42Å; F6-Y166 AromaticContact CE2-CD2 3.75Å; F6-Y166 HydrophobicContact CE2-CD2 3.75Å; F6-Y166 AromaticContact CE2-CE2 3.49Å; F6-Y166 HydrophobicContact CE2-CE2 3.49Å; F6-Y166 VanDerWaalsContact CE2-CE2 3.49Å; F6-Y166 HydrophobicContact CG-CE2 4.14Å; F6-Y166 AromaticContact CZ-CD2 3.81Å; F6-Y166 HydrophobicContact CZ-CD2 3.81Å; F6-Y166 HydrophobicContact CZ-CE1 4.23Å; F6-Y166 AromaticContact CZ-CE2 3.16Å; F6-Y166 HydrophobicContact CZ-CE2 3.16Å; F6-Y166 AromaticContact CZ-CZ 3.39Å; F6-F233 HydrophobicContact CD2-CD2 4.44Å; F6-F233 HydrophobicContact CD2-CE2 4.4Å; F6-F233 HydrophobicContact CE2-CE2 4.4Å
7	E	93.5	Very high	92.9	Very high	70 Å²	70	52.8 Å²	52.8	33%	0.327	25%	0.248	S	C	.	.	H	α-helix	trans	-60.5	-40.3	175.5	-77.7	-61	141.5	0	0	113.1	Y3 V9 N10 K11	Y3-E7 HydrophobicContact CD1-CG 4.17Å; Y3-E7 HydrophobicContact CD2-CG 4.27Å; Y3-E7 HydrophobicContact CE1-CG 3.68Å; Y3-E7 HydrophobicContact CE2-CG 3.77Å; Y3-E7 WeakPolarHBondContact CE2-OE1 3.25Å; Y3-E7 HydrophobicContact CG-CG 4.43Å; Y3-E7 VanDerWaalsContact CZ-CG 3.43Å; Y3-E7 WeakPolarHBondContact O-CG 3.48Å; Y3-E7 PolarHBondContact O-N 3.3Å; Y3-E7 PolarHBondContact OH-OE1 3.24Å; E7-V9 PolarHBondContact O-N 2.78Å; E7-N10 WeakPolarHBondContact O-CB 3.34Å; E7-N10 PolarHBondContact O-N 2.83Å; E7-K11 WeakPolarHBondContact O-CB 3.33Å; E7-K11 PolarHBondContact O-N 3.28Å
8	K	94.7	Very high	93.1	Very high	89 Å²	89	49.8 Å²	49.8	39%	0.387	23%	0.234	S	C	.	.	H	α-helix	trans	-62.8	-42.7	175.9	-76.7	173.2	-179	171.9	0	111.9	Q4 T5 F6 K11 F12 L240	Q4-K8 WeakPolarHBondContact O-CG 3.39Å; Q4-K8 PolarHBondContact O-N 3.13Å; T5-K8 PolarHBondContact O-N 3.22Å; F6-K8 PolarHBondContact O-N 3.38Å; K8-K11 PolarHBondContact O-N 2.7Å; K8-F12 WeakPolarHBondContact O-CB 3.4Å; K8-F12 PolarHBondContact O-N 3.35Å; K8-L240 HydrophobicContact CB-CD1 4.24Å; K8-L240 WeakPolarHBondContact O-CD1 3.43Å
9	V	95.6	Very high	93.2	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-67	-42.4	176.8	175.5	0	0	0	0	110.8	T5 F6 E7 K11 F12 I13 L162 Y166 F233	T5-V9 WeakPolarHBondContact O-CG2 3.5Å; T5-V9 PolarHBondContact O-N 2.95Å; T5-V9 VanDerWaalsContact O-N 3.16Å; F6-V9 PolarHBondContact O-N 3.27Å; E7-V9 PolarHBondContact O-N 2.78Å; V9-K11 PolarHBondContact O-N 3.44Å; V9-F12 WeakPolarHBondContact O-CB 3.49Å; V9-F12 PolarHBondContact O-N 3.37Å; V9-I13 HydrophobicContact CG1-CD1 4.15Å; V9-I13 WeakPolarHBondContact O-CG1 3.36Å; V9-I13 PolarHBondContact O-N 3.48Å; V9-L162 HydrophobicContact CG1-CD2 4.22Å; V9-L162 HydrophobicContact CG1-CG 4.39Å; V9-Y166 HydrophobicContact CB-CD2 4.41Å; V9-Y166 HydrophobicContact CG1-CD2 3.84Å; V9-F233 HydrophobicContact CB-CD2 4.27Å; V9-F233 HydrophobicContact CG1-CD2 4.15Å; V9-F233 HydrophobicContact CG1-CE1 4.48Å; V9-F233 HydrophobicContact CG1-CE2 4.08Å; V9-F233 HydrophobicContact CG1-CG 4.44Å; V9-F233 HydrophobicContact CG1-CZ 4.26Å; V9-F233 HydrophobicContact CG2-CB 4.01Å; V9-F233 HydrophobicContact CG2-CD2 4.06Å; V9-F233 HydrophobicContact CG2-CG 3.96Å
10	N	94.5	Very high	93.3	Very high	37 Å²	37	48.5 Å²	48.5	20%	0.198	23%	0.227	C	C	.	.	H	α-helix	trans	-57.2	-49.4	174	-171.1	25.7	0	0	0	111.8	F6 E7 F12 I13 N14 Y166	F6-N10 WeakPolarHBondContact O-CB 3.3Å; F6-N10 PolarHBondContact O-N 3.47Å; E7-N10 WeakPolarHBondContact O-CB 3.34Å; E7-N10 PolarHBondContact O-N 2.83Å; N10-F12 VanDerWaalsContact C-N 3.3Å; N10-F12 PolarHBondContact O-N 3.33Å; N10-I13 WeakPolarHBondContact O-CA 3.46Å; N10-I13 WeakPolarHBondContact O-CB 3.44Å; N10-I13 PolarHBondContact O-N 2.91Å; N10-N14 PolarHBondContact O-N 2.89Å; N10-N14 PolarHBondContact O-ND2 3.44Å; N10-N14 PolarHBondContact OD1-ND2 2.79Å; N10-Y166 HydrophobicContact CB-CE2 3.73Å; N10-Y166 WeakPolarHBondContact CB-OH 3.38Å; N10-Y166 PolarHBondContact ND2-OH 3.06Å; N10-Y166 PolarHBondContact OD1-OH 2.89Å
11	K	94.2	Very high	93.3	Very high	100 Å²	100	49.3 Å²	49.3	44%	0.435	23%	0.23	S	C	.	.	H	α-helix	trans	-57.7	-43.2	175.9	179.5	178.4	176.1	173.9	0	111.6	E7 K8 V9 I13 N14 V15 W129	E7-K11 WeakPolarHBondContact O-CB 3.33Å; E7-K11 PolarHBondContact O-N 3.28Å; K8-K11 PolarHBondContact O-N 2.7Å; V9-K11 PolarHBondContact O-N 3.44Å; K11-I13 VanDerWaalsContact C-N 3.29Å; K11-I13 PolarHBondContact O-N 3.35Å; K11-N14 PolarHBondContact O-N 3.26Å; K11-V15 HydrophobicContact CG-CG2 4.24Å; K11-V15 WeakPolarHBondContact O-CB 3.31Å; K11-V15 VanDerWaalsContact O-CG2 3.22Å; K11-V15 WeakPolarHBondContact O-CG2 3.48Å; K11-V15 PolarHBondContact O-N 3.35Å; K11-W129 HydrophobicContact CD-CG 4.47Å; K11-W129 HydrophobicContact CG-CG 4.37Å
12	F	95.5	Very high	94.1	Very high	8 Å²	8	46.9 Å²	46.9	4%	0.035	22%	0.218	C	C	.	.	H	α-helix	trans	-60.2	-40.4	175.8	173.7	-130.3	0	0	0	111.9	K8 V9 N10 E16 I144 S147 L151 F159 L162 L240	K8-F12 WeakPolarHBondContact O-CB 3.4Å; K8-F12 PolarHBondContact O-N 3.35Å; V9-F12 WeakPolarHBondContact O-CB 3.49Å; V9-F12 PolarHBondContact O-N 3.37Å; N10-F12 VanDerWaalsContact C-N 3.3Å; N10-F12 PolarHBondContact O-N 3.33Å; F12-E16 WeakPolarHBondContact O-CB 3.46Å; F12-E16 PolarHBondContact O-N 2.76Å; F12-E16 VanDerWaalsContact O-N 3.07Å; F12-I144 HydrophobicContact CD2-CD1 3.29Å; F12-I144 HydrophobicContact CE2-CD1 3.26Å; F12-I144 HydrophobicContact CE2-CG1 4.47Å; F12-S147 VanDerWaalsContact CE2-CB 3.45Å; F12-S147 VanDerWaalsContact CZ-CB 3.45Å; F12-L151 HydrophobicContact CE1-CD1 4.05Å; F12-L151 HydrophobicContact CZ-CD1 4.44Å; F12-F159 HydrophobicContact CD1-CD2 4.4Å; F12-F159 AromaticContact CD1-CE2 3.99Å; F12-F159 HydrophobicContact CD1-CE2 3.99Å; F12-F159 AromaticContact CE1-CD2 3.61Å; F12-F159 HydrophobicContact CE1-CD2 3.61Å; F12-F159 AromaticContact CE1-CE2 3.64Å; F12-F159 HydrophobicContact CE1-CE2 3.64Å; F12-F159 HydrophobicContact CE2-CD2 4.4Å; F12-F159 HydrophobicContact CE2-CE2 4.24Å; F12-F159 HydrophobicContact CG-CE2 4.42Å; F12-F159 AromaticContact CZ-CD2 3.61Å; F12-F159 HydrophobicContact CZ-CD2 3.61Å; F12-F159 AromaticContact CZ-CE2 3.78Å; F12-F159 HydrophobicContact CZ-CE2 3.78Å; F12-L162 HydrophobicContact CD1-CD2 3.64Å; F12-L162 HydrophobicContact CE1-CD2 3.56Å; F12-L240 HydrophobicContact CB-CD1 3.64Å; F12-L240 HydrophobicContact CB-CD2 3.85Å; F12-L240 HydrophobicContact CB-CG 4.41Å; F12-L240 HydrophobicContact CD1-CD1 4.41Å; F12-L240 HydrophobicContact CD1-CD2 4.13Å; F12-L240 HydrophobicContact CD2-CD2 3.64Å; F12-L240 HydrophobicContact CE2-CD2 4.18Å; F12-L240 HydrophobicContact CG-CD1 4.12Å; F12-L240 HydrophobicContact CG-CD2 3.62Å
13	I	95.3	Very high	94.4	Very high	24 Å²	24	45.2 Å²	45.2	12%	0.123	21%	0.211	C	C	.	.	H	α-helix	trans	-63.5	-46.7	175.8	-67.6	165.6	0	0	0	111.4	V9 N10 K11 E16 A17 F159 Y166	V9-I13 HydrophobicContact CG1-CD1 4.15Å; V9-I13 WeakPolarHBondContact O-CG1 3.36Å; V9-I13 PolarHBondContact O-N 3.48Å; N10-I13 WeakPolarHBondContact O-CA 3.46Å; N10-I13 WeakPolarHBondContact O-CB 3.44Å; N10-I13 PolarHBondContact O-N 2.91Å; K11-I13 VanDerWaalsContact C-N 3.29Å; K11-I13 PolarHBondContact O-N 3.35Å; I13-E16 PolarHBondContact O-N 2.71Å; I13-A17 PolarHBondContact O-N 2.97Å; I13-F159 HydrophobicContact CB-CZ 4.37Å; I13-F159 HydrophobicContact CG1-CE2 4.38Å; I13-F159 HydrophobicContact CG1-CZ 4.17Å; I13-F159 HydrophobicContact CG2-CZ 4.49Å; I13-Y166 VanDerWaalsContact CD1-CB 3.42Å; I13-Y166 HydrophobicContact CD1-CD1 3.7Å; I13-Y166 HydrophobicContact CD1-CD2 3.96Å; I13-Y166 HydrophobicContact CD1-CE1 4.49Å; I13-Y166 HydrophobicContact CD1-CG 3.41Å; I13-Y166 VanDerWaalsContact CD1-CG 3.41Å
14	N	94.2	Very high	94.5	Very high	54 Å²	54	41 Å²	41	29%	0.289	20%	0.197	S	C	.	.	H	α-helix	trans	-64.3	-42.1	179.8	-68.5	-27.6	0	0	0	112.8	N10 K11 A17 Y18 W129	N10-N14 PolarHBondContact O-N 2.89Å; N10-N14 PolarHBondContact O-ND2 3.44Å; N10-N14 PolarHBondContact OD1-ND2 2.79Å; K11-N14 PolarHBondContact O-N 3.26Å; N14-A17 PolarHBondContact O-N 3.44Å; N14-Y18 WeakPolarHBondContact O-CB 3.43Å; N14-Y18 PolarHBondContact O-N 3.38Å; N14-W129 HydrophobicContact CB-CH2 4.32Å; N14-W129 HydrophobicContact CB-CZ2 3.85Å
15	V	95.3	Very high	94.5	Very high	8 Å²	8	36.5 Å²	36.5	5%	0.048	18%	0.176	C	C	.	.	H	α-helix	trans	-64.1	-41.6	176.2	174.2	0	0	0	0	110.6	K11 A17 Y18 I19 W129 L140 I144	K11-V15 HydrophobicContact CG-CG2 4.24Å; K11-V15 WeakPolarHBondContact O-CB 3.31Å; K11-V15 VanDerWaalsContact O-CG2 3.22Å; K11-V15 WeakPolarHBondContact O-CG2 3.48Å; K11-V15 PolarHBondContact O-N 3.35Å; V15-A17 VanDerWaalsContact C-N 3.34Å; V15-A17 PolarHBondContact O-N 2.9Å; V15-Y18 WeakPolarHBondContact O-CB 3.38Å; V15-Y18 PolarHBondContact O-N 2.84Å; V15-I19 HydrophobicContact CG1-CD1 4.22Å; V15-I19 HydrophobicContact CG1-CG1 4.46Å; V15-I19 VanDerWaalsContact O-CG1 3.3Å; V15-I19 WeakPolarHBondContact O-CG1 3.18Å; V15-I19 PolarHBondContact O-N 2.65Å; V15-W129 HydrophobicContact CB-CE3 4.43Å; V15-W129 HydrophobicContact CB-CZ3 4.37Å; V15-W129 HydrophobicContact CG2-CD2 3.76Å; V15-W129 HydrophobicContact CG2-CE3 3.44Å; V15-W129 VanDerWaalsContact CG2-CE3 3.44Å; V15-W129 HydrophobicContact CG2-CG 4.37Å; V15-W129 HydrophobicContact CG2-CH2 4.4Å; V15-W129 HydrophobicContact CG2-CZ3 3.8Å; V15-L140 HydrophobicContact CG1-CB 4.16Å; V15-L140 HydrophobicContact CG1-CD1 4.43Å; V15-L140 HydrophobicContact CG1-CD2 4.2Å; V15-I144 HydrophobicContact CB-CD1 4.13Å; V15-I144 HydrophobicContact CG1-CD1 3.77Å; V15-I144 HydrophobicContact CG1-CG1 3.86Å
16	E	95.6	Very high	94.5	Very high	8 Å²	8	36.3 Å²	36.3	4%	0.037	18%	0.175	C	C	.	.	H	α-helix	trans	-64.1	-41.2	178	-162.5	-78.6	163.4	0	0	112.1	F12 I13 I19 F20 I144 K148 F159 R186	F12-E16 WeakPolarHBondContact O-CB 3.46Å; F12-E16 PolarHBondContact O-N 2.76Å; F12-E16 VanDerWaalsContact O-N 3.07Å; I13-E16 PolarHBondContact O-N 2.71Å; E16-I19 PolarHBondContact O-N 2.87Å; E16-F20 PolarHBondContact O-N 3.22Å; E16-I144 HydrophobicContact CB-CD1 4.19Å; E16-I144 HydrophobicContact CB-CG2 4.44Å; E16-I144 HydrophobicContact CG-CG2 3.87Å; E16-K148 WeakPolarHBondContact OE1-CE 3.08Å; E16-K148 IonicContact OE1-NZ 3.94Å; E16-K148 PolarHBondContact OE1-NZ 3.35Å; E16-F159 HydrophobicContact CB-CD2 4.42Å; E16-F159 HydrophobicContact CB-CE1 3.77Å; E16-F159 HydrophobicContact CB-CE2 3.57Å; E16-F159 HydrophobicContact CB-CZ 3.2Å; E16-F159 HydrophobicContact CG-CD1 3.87Å; E16-F159 HydrophobicContact CG-CD2 4.05Å; E16-F159 HydrophobicContact CG-CE1 3.5Å; E16-F159 VanDerWaalsContact CG-CE1 3.5Å; E16-F159 HydrophobicContact CG-CE2 3.68Å; E16-F159 HydrophobicContact CG-CG 4.14Å; E16-F159 HydrophobicContact CG-CZ 3.4Å; E16-F159 WeakPolarHBondContact OE2-CE1 3.34Å; E16-R186 IonicContact OE1-CZ 3.46Å; E16-R186 IonicContact OE1-NH2 3.29Å; E16-R186 PolarHBondContact OE1-NH2 3.12Å; E16-R186 IonicContact OE2-CZ 3.73Å; E16-R186 IonicContact OE2-NE 3.85Å; E16-R186 PolarHBondContact OE2-NE 2.89Å; E16-R186 IonicContact OE2-NH2 2.78Å; E16-R186 PolarHBondContact OE2-NH2 3.19Å
17	A	94.3	Very high	94.4	Very high	19 Å²	19	41.8 Å²	41.8	16%	0.157	20%	0.198	C	C	.	.	H	α-helix	trans	-62.2	-45.9	174.7	0	0	0	0	0	111.5	I13 N14 V15 I19 F20 F21	I13-A17 PolarHBondContact O-N 2.97Å; N14-A17 PolarHBondContact O-N 3.44Å; V15-A17 VanDerWaalsContact C-N 3.34Å; V15-A17 PolarHBondContact O-N 2.9Å; A17-I19 VanDerWaalsContact C-N 3.34Å; A17-I19 PolarHBondContact O-N 3.04Å; A17-F20 WeakPolarHBondContact O-CB 3.47Å; A17-F20 PolarHBondContact O-N 2.92Å; A17-F21 HydrophobicContact CB-CE2 4.33Å; A17-F21 WeakPolarHBondContact O-CD2 3.4Å; A17-F21 PolarHBondContact O-N 3.4Å
18	Y	96.2	Very high	94.1	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-52.4	-52	173.5	171.6	-88.7	0	0	0	111.4	N14 V15 F20 F21 L22 F118 N119 Y124 W129 P131 F137	N14-Y18 WeakPolarHBondContact O-CB 3.43Å; N14-Y18 PolarHBondContact O-N 3.38Å; V15-Y18 WeakPolarHBondContact O-CB 3.38Å; V15-Y18 PolarHBondContact O-N 2.84Å; Y18-F20 VanDerWaalsContact C-N 3.31Å; Y18-F20 PolarHBondContact O-N 3.2Å; Y18-F21 PolarHBondContact O-N 2.84Å; Y18-L22 HydrophobicContact CE1-CB 4.46Å; Y18-L22 HydrophobicContact CE1-CD2 3.77Å; Y18-L22 WeakPolarHBondContact O-CB 3.08Å; Y18-L22 PolarHBondContact O-N 3.29Å; Y18-L22 WeakPolarHBondContact OH-CD2 3.35Å; Y18-F118 HydrophobicContact CD2-CD1 4.42Å; Y18-F118 AromaticContact CD2-CE1 3.8Å; Y18-F118 HydrophobicContact CD2-CE1 3.8Å; Y18-F118 AromaticContact CE2-CD1 3.67Å; Y18-F118 HydrophobicContact CE2-CD1 3.67Å; Y18-F118 AromaticContact CE2-CE1 3.5Å; Y18-F118 HydrophobicContact CE2-CE1 3.5Å; Y18-N119 WeakPolarHBondContact CE2-OD1 3.07Å; Y18-N119 PolarHBondContact OH-OD1 3.44Å; Y18-N119 VanDerWaalsContact OH-OD1 3.07Å; Y18-Y124 AromaticContact CD2-CD1 3.71Å; Y18-Y124 HydrophobicContact CD2-CD1 3.71Å; Y18-Y124 AromaticContact CD2-CD2 3.68Å; Y18-Y124 HydrophobicContact CD2-CD2 3.68Å; Y18-Y124 AromaticContact CD2-CE1 3.76Å; Y18-Y124 HydrophobicContact CD2-CE1 3.76Å; Y18-Y124 AromaticContact CD2-CE2 3.72Å; Y18-Y124 HydrophobicContact CD2-CE2 3.72Å; Y18-Y124 AromaticContact CD2-CG 3.68Å; Y18-Y124 HydrophobicContact CD2-CG 3.68Å; Y18-Y124 AromaticContact CD2-CZ 3.77Å; Y18-Y124 HydrophobicContact CE2-CD1 4.37Å; Y18-Y124 AromaticContact CE2-CD2 3.82Å; Y18-Y124 HydrophobicContact CE2-CD2 3.82Å; Y18-Y124 HydrophobicContact CE2-CE2 4.23Å; Y18-Y124 AromaticContact CE2-CG 3.91Å; Y18-Y124 HydrophobicContact CE2-CG 3.91Å; Y18-Y124 HydrophobicContact CG-CE1 4.49Å; Y18-W129 HydrophobicContact CD2-CZ3 4.32Å; Y18-W129 HydrophobicContact CG-CH2 4.4Å; Y18-W129 AromaticContact CG-CZ3 3.98Å; Y18-W129 HydrophobicContact CG-CZ3 3.98Å; Y18-P131 HydrophobicContact CD1-CG 4.48Å; Y18-P131 HydrophobicContact CE1-CG 3.47Å; Y18-P131 VanDerWaalsContact CE1-CG 3.47Å; Y18-P131 WeakPolarHBondContact OH-CG 3.04Å; Y18-F137 HydrophobicContact CE1-CD2 4.14Å
19	I	95.8	Very high	93.7	Very high	7 Å²	7	46.2 Å²	46.2	4%	0.036	22%	0.22	C	C	.	.	H	α-helix	trans	-61	-42.7	-179.9	-69.9	-172.2	0	0	0	111	V15 E16 A17 T23 F137 L140 F141 I144	V15-I19 HydrophobicContact CG1-CD1 4.22Å; V15-I19 HydrophobicContact CG1-CG1 4.46Å; V15-I19 VanDerWaalsContact O-CG1 3.3Å; V15-I19 WeakPolarHBondContact O-CG1 3.18Å; V15-I19 PolarHBondContact O-N 2.65Å; E16-I19 PolarHBondContact O-N 2.87Å; A17-I19 VanDerWaalsContact C-N 3.34Å; A17-I19 PolarHBondContact O-N 3.04Å; I19-T23 VanDerWaalsContact O-CB 3.26Å; I19-T23 WeakPolarHBondContact O-CB 3.46Å; I19-T23 PolarHBondContact O-N 3.48Å; I19-T23 PolarHBondContact O-OG1 3.11Å; I19-F137 HydrophobicContact CG1-CE2 4.19Å; I19-L140 HydrophobicContact CD1-CB 4.21Å; I19-F141 HydrophobicContact CD1-CB 3.93Å; I19-F141 HydrophobicContact CD1-CD2 4.22Å; I19-F141 HydrophobicContact CG2-CD2 3.67Å; I19-F141 HydrophobicContact CG2-CE2 4.19Å; I19-I144 HydrophobicContact CD1-CB 4.22Å; I19-I144 HydrophobicContact CD1-CG1 3.64Å
20	F	94.5	Very high	93.1	Very high	66 Å²	66	48.6 Å²	48.6	29%	0.289	23%	0.23	S	C	.	.	H	α-helix	trans	-58.5	-50.7	177.5	171.6	-98.3	0	0	0	111.7	E16 A17 Y18 T23 Q24	E16-F20 PolarHBondContact O-N 3.22Å; A17-F20 WeakPolarHBondContact O-CB 3.47Å; A17-F20 PolarHBondContact O-N 2.92Å; Y18-F20 VanDerWaalsContact C-N 3.31Å; Y18-F20 PolarHBondContact O-N 3.2Å; F20-T23 WeakPolarHBondContact O-CB 3.38Å; F20-T23 PolarHBondContact O-N 2.92Å; F20-Q24 HydrophobicContact CE1-CG 4.41Å; F20-Q24 HydrophobicContact CZ-CG 4.3Å; F20-Q24 WeakPolarHBondContact O-CG 3.27Å; F20-Q24 PolarHBondContact O-N 2.97Å; F20-Q24 VanDerWaalsContact O-N 3.16Å
21	F	94.3	Very high	92.8	Very high	65 Å²	65	56.5 Å²	56.5	29%	0.285	26%	0.262	S	S	.	.	H	α-helix	trans	-67	-43.9	-178.1	-69.1	-59.1	0	0	0	112.4	A17 Y18 T23 Q24 E25 F118 R186	A17-F21 HydrophobicContact CB-CE2 4.33Å; A17-F21 WeakPolarHBondContact O-CD2 3.4Å; A17-F21 PolarHBondContact O-N 3.4Å; Y18-F21 PolarHBondContact O-N 2.84Å; F21-T23 VanDerWaalsContact C-N 3.27Å; F21-T23 PolarHBondContact O-N 3.19Å; F21-Q24 WeakPolarHBondContact O-CB 3.36Å; F21-Q24 PolarHBondContact O-N 3.04Å; F21-Q24 VanDerWaalsContact O-N 3.12Å; F21-E25 PolarHBondContact O-N 3.16Å; F21-E25 VanDerWaalsContact O-N 3.09Å; F21-F118 HydrophobicContact CB-CE2 4.28Å; F21-F118 HydrophobicContact CB-CZ 3.73Å; F21-R186 HydrophobicContact CZ-CB 4.14Å
22	L	95.7	Very high	92.7	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-62.9	-35.5	175.2	178.3	59.6	0	0	0	111.5	Y18 Q24 E25 L26 I114 I115 F118 F137	Y18-L22 HydrophobicContact CE1-CB 4.46Å; Y18-L22 HydrophobicContact CE1-CD2 3.77Å; Y18-L22 WeakPolarHBondContact O-CB 3.08Å; Y18-L22 PolarHBondContact O-N 3.29Å; Y18-L22 WeakPolarHBondContact OH-CD2 3.35Å; L22-Q24 VanDerWaalsContact C-N 3.29Å; L22-Q24 PolarHBondContact O-N 2.9Å; L22-E25 HydrophobicContact CD1-CB 4.47Å; L22-E25 WeakPolarHBondContact O-CB 3.42Å; L22-E25 PolarHBondContact O-N 3.02Å; L22-L26 HydrophobicContact CD1-CD1 4.43Å; L22-L26 HydrophobicContact CD1-CG 4.16Å; L22-L26 HydrophobicContact CG-CD1 4.14Å; L22-L26 HydrophobicContact CG-CG 4.34Å; L22-L26 VanDerWaalsContact O-CG 3.27Å; L22-L26 WeakPolarHBondContact O-CG 3.09Å; L22-L26 PolarHBondContact O-N 3.38Å; L22-I114 HydrophobicContact CD1-CG2 4.42Å; L22-I115 HydrophobicContact CD2-CG1 3.89Å; L22-F118 HydrophobicContact CB-CD1 4.28Å; L22-F118 HydrophobicContact CB-CE1 4.01Å; L22-F118 HydrophobicContact CB-CE2 4.42Å; L22-F118 HydrophobicContact CB-CZ 4.08Å; L22-F118 HydrophobicContact CD1-CB 4.06Å; L22-F118 HydrophobicContact CD1-CD1 4.15Å; L22-F118 HydrophobicContact CD1-CD2 4.14Å; L22-F118 HydrophobicContact CD1-CG 3.86Å; L22-F137 HydrophobicContact CD2-CD2 3.56Å; L22-F137 HydrophobicContact CD2-CE2 3.46Å; L22-F137 VanDerWaalsContact CD2-CE2 3.46Å; L22-F137 HydrophobicContact CD2-CG 4.2Å; L22-F137 HydrophobicContact CD2-CZ 4.01Å; L22-F137 HydrophobicContact CG-CE2 4.21Å; L22-F137 HydrophobicContact CG-CZ 4.46Å
23	T	94	Very high	92.6	Very high	41 Å²	41	54.5 Å²	54.5	25%	0.252	26%	0.261	S	S	.	.	H	α-helix	trans	-63.4	-36.1	175.4	-58.2	0	0	0	0	112.1	I19 F20 F21 K27 L34	I19-T23 VanDerWaalsContact O-CB 3.26Å; I19-T23 WeakPolarHBondContact O-CB 3.46Å; I19-T23 PolarHBondContact O-N 3.48Å; I19-T23 PolarHBondContact O-OG1 3.11Å; F20-T23 WeakPolarHBondContact O-CB 3.38Å; F20-T23 PolarHBondContact O-N 2.92Å; F21-T23 VanDerWaalsContact C-N 3.27Å; F21-T23 PolarHBondContact O-N 3.19Å; T23-K27 WeakPolarHBondContact O-CB 3.3Å; T23-K27 PolarHBondContact O-N 2.64Å; T23-L34 HydrophobicContact CG2-CB 4.31Å; T23-L34 HydrophobicContact CG2-CD2 3.94Å; T23-L34 WeakPolarHBondContact OG1-CD2 3.49Å
24	Q	92.5	Very high	92.6	Very high	80 Å²	80	54.5 Å²	54.5	37%	0.374	26%	0.261	S	S	.	.	H	α-helix	trans	-67.6	-42.6	175.4	-63.9	-66.3	1.5	0	0	111.3	F20 F21 L22 K27 Q28	F20-Q24 HydrophobicContact CE1-CG 4.41Å; F20-Q24 HydrophobicContact CZ-CG 4.3Å; F20-Q24 WeakPolarHBondContact O-CG 3.27Å; F20-Q24 PolarHBondContact O-N 2.97Å; F20-Q24 VanDerWaalsContact O-N 3.16Å; F21-Q24 WeakPolarHBondContact O-CB 3.36Å; F21-Q24 PolarHBondContact O-N 3.04Å; F21-Q24 VanDerWaalsContact O-N 3.12Å; L22-Q24 VanDerWaalsContact C-N 3.29Å; L22-Q24 PolarHBondContact O-N 2.9Å; Q24-K27 WeakPolarHBondContact O-CB 3.4Å; Q24-K27 PolarHBondContact O-N 3.23Å; Q24-Q28 PolarHBondContact O-N 2.97Å
25	E	92.8	Very high	92.5	Very high	42 Å²	42	54.7 Å²	54.7	20%	0.196	26%	0.259	C	S	.	.	H	α-helix	trans	-56.8	-51.7	174.5	-168.1	63.8	-147.6	0	0	111	F21 L22 K27 Q28 Q29 I114 F118	F21-E25 PolarHBondContact O-N 3.16Å; F21-E25 VanDerWaalsContact O-N 3.09Å; L22-E25 HydrophobicContact CD1-CB 4.47Å; L22-E25 WeakPolarHBondContact O-CB 3.42Å; L22-E25 PolarHBondContact O-N 3.02Å; E25-K27 VanDerWaalsContact C-N 3.26Å; E25-K27 PolarHBondContact O-N 3.43Å; E25-Q28 WeakPolarHBondContact O-CB 3.3Å; E25-Q28 PolarHBondContact O-N 3.38Å; E25-Q29 PolarHBondContact O-N 2.89Å; E25-Q29 PolarHBondContact OE1-NE2 2.94Å; E25-I114 HydrophobicContact CG-CG2 4.49Å; E25-F118 HydrophobicContact CB-CD2 4.26Å; E25-F118 HydrophobicContact CB-CE2 4.4Å; E25-F118 HydrophobicContact CG-CD2 4.16Å
26	L	93.8	Very high	92.6	Very high	5 Å²	5	54.7 Å²	54.7	3%	0.026	26%	0.259	C	S	.	.	H	α-helix	trans	-61.4	-34.3	179.3	-67.6	174.7	0	0	0	112.8	L22 Q28 Q29 Y30 L34 L37 L111 I114 F137	L22-L26 HydrophobicContact CD1-CD1 4.43Å; L22-L26 HydrophobicContact CD1-CG 4.16Å; L22-L26 HydrophobicContact CG-CD1 4.14Å; L22-L26 HydrophobicContact CG-CG 4.34Å; L22-L26 VanDerWaalsContact O-CG 3.27Å; L22-L26 WeakPolarHBondContact O-CG 3.09Å; L22-L26 PolarHBondContact O-N 3.38Å; L26-Q28 VanDerWaalsContact C-N 3.28Å; L26-Q28 PolarHBondContact O-N 3.27Å; L26-Q29 PolarHBondContact O-N 2.94Å; L26-Y30 HydrophobicContact CD2-CD2 4.24Å; L26-Y30 HydrophobicContact CD2-CE2 4.2Å; L26-Y30 WeakPolarHBondContact O-CB 3.39Å; L26-Y30 PolarHBondContact O-N 3.39Å; L26-L34 HydrophobicContact CD1-CD1 4.3Å; L26-L37 HydrophobicContact CD1-CD1 4.36Å; L26-L111 HydrophobicContact CD1-CD1 3.77Å; L26-L111 HydrophobicContact CD2-CD1 3.37Å; L26-L111 HydrophobicContact CG-CD1 4.22Å; L26-I114 HydrophobicContact CD2-CB 4.45Å; L26-I114 HydrophobicContact CD2-CD1 4.34Å; L26-I114 HydrophobicContact CD2-CG2 3.82Å; L26-F137 HydrophobicContact CD1-CE1 4.3Å; L26-F137 HydrophobicContact CD1-CZ 4.34Å
27	K	90.4	Very high	92.6	Very high	154 Å²	154	54.3 Å²	54.3	67%	0.67	26%	0.257	S	S	*	.	H	α-helix	trans	-66.5	-30.2	177.6	-173.6	-177.3	174.4	-168.6	0	112.3	T23 Q24 E25	T23-K27 WeakPolarHBondContact O-CB 3.3Å; T23-K27 PolarHBondContact O-N 2.64Å; Q24-K27 WeakPolarHBondContact O-CB 3.4Å; Q24-K27 PolarHBondContact O-N 3.23Å; E25-K27 VanDerWaalsContact C-N 3.26Å; E25-K27 PolarHBondContact O-N 3.43Å
28	Q	87.1	Confident	92.7	Very high	155 Å²	155	53.4 Å²	53.4	72%	0.724	25%	0.25	S	C	*	.	H	α-helix	trans	-76	-33.3	176.8	-65.5	176.8	10.8	0	0	111.5	Q24 E25 L26	Q24-Q28 PolarHBondContact O-N 2.97Å; E25-Q28 WeakPolarHBondContact O-CB 3.3Å; E25-Q28 PolarHBondContact O-N 3.38Å; L26-Q28 VanDerWaalsContact C-N 3.28Å; L26-Q28 PolarHBondContact O-N 3.27Å
29	Q	86.6	Confident	92.6	Very high	97 Å²	97	53.5 Å²	53.5	45%	0.453	25%	0.25	S	C	.	.	H	α-helix	trans	-91.1	-25.6	-174.8	-59	-172.8	24.9	0	0	113.9	E25 L26 I114	E25-Q29 PolarHBondContact O-N 2.89Å; E25-Q29 PolarHBondContact OE1-NE2 2.94Å; L26-Q29 PolarHBondContact O-N 2.94Å; Q29-I114 VanDerWaalsContact OE1-CG1 3.26Å
30	Y	82.9	Confident	92.7	Very high	50 Å²	50	53.1 Å²	53.1	20%	0.196	25%	0.248	C	C	.	.			trans	-121.4	145.2	-176	-73.6	-82.7	0	0	0	114.9	L26 L32 V107 E110 I114	L26-Y30 HydrophobicContact CD2-CD2 4.24Å; L26-Y30 HydrophobicContact CD2-CE2 4.2Å; L26-Y30 WeakPolarHBondContact O-CB 3.39Å; L26-Y30 PolarHBondContact O-N 3.39Å; Y30-L32 PolarHBondContact O-N 3.44Å; Y30-V107 HydrophobicContact CE1-CG1 4.37Å; Y30-E110 WeakPolarHBondContact OH-CB 3.37Å; Y30-I114 HydrophobicContact CD2-CD1 4.41Å; Y30-I114 HydrophobicContact CE2-CD1 3.4Å; Y30-I114 VanDerWaalsContact CE2-CD1 3.4Å
31	K	88	Confident	92.7	Very high	203 Å²	203	50 Å²	50	88%	0.883	23%	0.234	S	C	*	.	S	Bend	trans	-81.2	7	164.5	-58.7	-175.3	-178.2	-179.7	0	113.4	K77	K31-K77 PolarHBondContact O-NZ 3.4Å
32	L	92.7	Very high	92.8	Very high	16 Å²	16	46.9 Å²	46.9	8%	0.084	22%	0.221	C	C	.	.	S	Bend	trans	-105.1	134.2	177.3	-64.1	-179.7	0	0	0	109.2	Y30 E36 L37 L40 L74 K77 F79 V107	Y30-L32 PolarHBondContact O-N 3.44Å; L32-E36 WeakPolarHBondContact CA-OE2 3.47Å; L32-E36 HydrophobicContact CB-CB 4.3Å; L32-E36 HydrophobicContact CD2-CB 4.38Å; L32-L37 HydrophobicContact CB-CD2 3.93Å; L32-L37 HydrophobicContact CB-CG 4.05Å; L32-L37 HydrophobicContact CD1-CD2 3.77Å; L32-L37 HydrophobicContact CG-CD2 4.5Å; L32-L40 HydrophobicContact CD1-CD1 3.72Å; L32-L74 HydrophobicContact CD2-CD2 4.18Å; L32-K77 HydrophobicContact CD2-CD 3.58Å; L32-F79 HydrophobicContact CD1-CE2 4.18Å; L32-F79 HydrophobicContact CD1-CZ 4.07Å; L32-F79 HydrophobicContact CD2-CE2 4.08Å; L32-V107 HydrophobicContact CD1-CG1 4.25Å
33	S	93	Very high	92.7	Very high	51 Å²	51	47 Å²	47	36%	0.357	22%	0.221	S	C	.	.			trans	-71.4	158.9	171.6	75.8	0	0	0	0	110.9	K35 E36 L37	S33-K35 PolarHBondContact O-N 2.92Å; S33-K35 VanDerWaalsContact O-N 3.16Å; S33-E36 PolarHBondContact N-OE2 2.74Å; S33-E36 WeakPolarHBondContact O-CA 3.19Å; S33-E36 WeakPolarHBondContact O-CB 3.37Å; S33-E36 PolarHBondContact O-N 3.02Å; S33-E36 WeakPolarHBondContact OG-CG 3.38Å; S33-E36 PolarHBondContact OG-N 2.9Å; S33-L37 PolarHBondContact O-N 3.22Å
34	L	93.8	Very high	92.8	Very high	23 Å²	23	48.6 Å²	48.6	12%	0.12	22%	0.223	C	C	.	.	H	α-helix	trans	-55.7	-33.8	174.9	-175.8	64.4	0	0	0	112.9	T23 L26 L37 L38 F137 F138 F141	T23-L34 HydrophobicContact CG2-CB 4.31Å; T23-L34 HydrophobicContact CG2-CD2 3.94Å; T23-L34 WeakPolarHBondContact OG1-CD2 3.49Å; L26-L34 HydrophobicContact CD1-CD1 4.3Å; L34-L37 PolarHBondContact O-N 3.27Å; L34-L38 WeakPolarHBondContact O-CB 3.49Å; L34-L38 PolarHBondContact O-N 3.48Å; L34-F137 HydrophobicContact CD1-CE1 3.59Å; L34-F137 HydrophobicContact CD1-CZ 3.68Å; L34-F138 HydrophobicContact CD1-CE1 3.86Å; L34-F141 HydrophobicContact CD2-CD1 4.36Å; L34-F141 HydrophobicContact CD2-CD2 4.09Å; L34-F141 HydrophobicContact CD2-CE1 3.83Å; L34-F141 HydrophobicContact CD2-CE2 3.53Å; L34-F141 HydrophobicContact CD2-CG 4.46Å; L34-F141 HydrophobicContact CD2-CZ 3.37Å; L34-F141 HydrophobicContact CG-CE1 4.04Å; L34-F141 HydrophobicContact CG-CZ 4.03Å
35	K	93.9	Very high	92.9	Very high	58 Å²	58	47.5 Å²	47.5	25%	0.252	22%	0.216	S	C	.	.	H	α-helix	trans	-66.7	-40.9	175.7	-57.3	-163.9	177.8	176.6	0	111.8	S33 L38 I39 Y62 D66	S33-K35 PolarHBondContact O-N 2.92Å; S33-K35 VanDerWaalsContact O-N 3.16Å; K35-L38 PolarHBondContact O-N 3.5Å; K35-I39 WeakPolarHBondContact O-CG1 3.49Å; K35-I39 PolarHBondContact O-N 3.42Å; K35-I39 VanDerWaalsContact O-N 3.12Å; K35-Y62 HydrophobicContact CB-CE2 3.89Å; K35-Y62 HydrophobicContact CD-CD1 4.3Å; K35-Y62 HydrophobicContact CD-CD2 4.13Å; K35-Y62 HydrophobicContact CD-CE1 3.99Å; K35-Y62 HydrophobicContact CD-CE2 3.78Å; K35-Y62 HydrophobicContact CD-CG 4.41Å; K35-Y62 VanDerWaalsContact CE-CE1 3.49Å; K35-Y62 HydrophobicContact CG-CD2 4.35Å; K35-Y62 HydrophobicContact CG-CE1 4.29Å; K35-Y62 HydrophobicContact CG-CE2 3.57Å; K35-D66 VanDerWaalsContact NZ-CG 3.33Å; K35-D66 IonicContact NZ-OD1 2.74Å; K35-D66 IonicContact NZ-OD2 3.3Å; K35-D66 PolarHBondContact NZ-OD2 3.4Å
36	E	95.9	Very high	92.9	Very high	8 Å²	8	47.7 Å²	47.7	4%	0.037	22%	0.216	C	C	.	.	H	α-helix	trans	-64.8	-44.9	174.9	-70.5	175.9	125.4	0	0	110.5	L32 S33 L38 I39 L40 N70 S73 L74 K77	L32-E36 WeakPolarHBondContact CA-OE2 3.47Å; L32-E36 HydrophobicContact CB-CB 4.3Å; L32-E36 HydrophobicContact CD2-CB 4.38Å; S33-E36 PolarHBondContact N-OE2 2.74Å; S33-E36 WeakPolarHBondContact O-CA 3.19Å; S33-E36 WeakPolarHBondContact O-CB 3.37Å; S33-E36 PolarHBondContact O-N 3.02Å; S33-E36 WeakPolarHBondContact OG-CG 3.38Å; S33-E36 PolarHBondContact OG-N 2.9Å; E36-L38 VanDerWaalsContact C-N 3.34Å; E36-L38 PolarHBondContact O-N 2.8Å; E36-I39 PolarHBondContact O-N 3.11Å; E36-L40 WeakPolarHBondContact O-CG 3.44Å; E36-L40 PolarHBondContact O-N 3.39Å; E36-N70 HydrophobicContact CG-CB 4.2Å; E36-N70 WeakPolarHBondContact CG-OD1 3.39Å; E36-S73 WeakPolarHBondContact OE1-CB 3.49Å; E36-S73 PolarHBondContact OE1-OG 2.99Å; E36-L74 HydrophobicContact CB-CD1 4.36Å; E36-L74 HydrophobicContact CB-CD2 3.87Å; E36-L74 HydrophobicContact CB-CG 4.17Å; E36-L74 HydrophobicContact CG-CD2 4.13Å; E36-L74 HydrophobicContact CG-CG 4.05Å; E36-K77 VanDerWaalsContact CD-NZ 3.27Å; E36-K77 IonicContact OE1-NZ 3.22Å; E36-K77 PolarHBondContact OE1-NZ 3.12Å; E36-K77 IonicContact OE2-NZ 2.82Å; E36-K77 PolarHBondContact OE2-NZ 3.5Å
37	L	96.4	Very high	92.8	Very high	1 Å²	1	52.8 Å²	52.8	1%	0.005	24%	0.243	C	C	.	.	H	α-helix	trans	-60.5	-41.7	176.8	-65.9	172.9	0	0	0	112.1	L26 L32 S33 L34 I39 L40 A41 V107 F138	L26-L37 HydrophobicContact CD1-CD1 4.36Å; L32-L37 HydrophobicContact CB-CD2 3.93Å; L32-L37 HydrophobicContact CB-CG 4.05Å; L32-L37 HydrophobicContact CD1-CD2 3.77Å; L32-L37 HydrophobicContact CG-CD2 4.5Å; S33-L37 PolarHBondContact O-N 3.22Å; L34-L37 PolarHBondContact O-N 3.27Å; L37-I39 PolarHBondContact O-N 3.17Å; L37-L40 PolarHBondContact O-N 3.35Å; L37-A41 WeakPolarHBondContact O-CB 3.49Å; L37-A41 PolarHBondContact O-N 3.5Å; L37-V107 HydrophobicContact CD2-CG1 3.7Å; L37-F138 HydrophobicContact CB-CE1 4.43Å; L37-F138 HydrophobicContact CB-CZ 3.81Å
38	L	95.8	Very high	92.8	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-60.7	-42.5	174.9	176.5	64.6	0	0	0	112	L34 K35 E36 A41 Y42 I60 Y62 F138 F141 M142 F246 F247	L34-L38 WeakPolarHBondContact O-CB 3.49Å; L34-L38 PolarHBondContact O-N 3.48Å; K35-L38 PolarHBondContact O-N 3.5Å; E36-L38 VanDerWaalsContact C-N 3.34Å; E36-L38 PolarHBondContact O-N 2.8Å; L38-A41 PolarHBondContact O-N 3.35Å; L38-Y42 PolarHBondContact O-N 2.97Å; L38-I60 HydrophobicContact CD2-CG2 3.77Å; L38-I60 HydrophobicContact CG-CG2 4.49Å; L38-Y62 HydrophobicContact CD2-CE2 3.86Å; L38-F138 HydrophobicContact CB-CD1 3.9Å; L38-F138 HydrophobicContact CB-CE1 3.75Å; L38-F138 HydrophobicContact CB-CZ 4.42Å; L38-F138 HydrophobicContact CD1-CB 3.68Å; L38-F138 HydrophobicContact CD1-CD1 3.46Å; L38-F138 VanDerWaalsContact CD1-CD1 3.46Å; L38-F138 HydrophobicContact CD1-CD2 4.43Å; L38-F138 HydrophobicContact CD1-CE1 4.19Å; L38-F138 HydrophobicContact CD1-CG 3.61Å; L38-F138 HydrophobicContact CG-CD1 4.25Å; L38-F141 HydrophobicContact CD2-CD1 4.28Å; L38-F141 HydrophobicContact CD2-CE1 4.19Å; L38-M142 HydrophobicContact CD1-CG 4.37Å; L38-M142 HydrophobicContact CD2-CG 4.44Å; L38-M142 HydrophobicContact CD2-SD 3.78Å; L38-F246 HydrophobicContact CD1-CE1 4.48Å; L38-F246 HydrophobicContact CD1-CZ 3.91Å; L38-F247 HydrophobicContact CD1-CE2 4.45Å; L38-F247 HydrophobicContact CD1-CZ 4.11Å
39	I	95.7	Very high	92.9	Very high	1 Å²	1	47.1 Å²	47.1	1%	0.005	22%	0.219	C	C	.	.	H	α-helix	trans	-65.9	-40.2	176.7	-68.6	164.1	0	0	0	110.8	K35 E36 L37 A41 Y42 F43 I60 N70 I71 L74	K35-I39 WeakPolarHBondContact O-CG1 3.49Å; K35-I39 PolarHBondContact O-N 3.42Å; K35-I39 VanDerWaalsContact O-N 3.12Å; E36-I39 PolarHBondContact O-N 3.11Å; L37-I39 PolarHBondContact O-N 3.17Å; I39-A41 VanDerWaalsContact C-N 3.34Å; I39-Y42 WeakPolarHBondContact O-CB 3.46Å; I39-Y42 PolarHBondContact O-N 2.99Å; I39-F43 HydrophobicContact CG2-CD2 4.02Å; I39-F43 HydrophobicContact CG2-CE2 3.76Å; I39-F43 VanDerWaalsContact O-CD2 3.23Å; I39-F43 WeakPolarHBondContact O-CD2 3.41Å; I39-F43 PolarHBondContact O-N 2.96Å; I39-F43 VanDerWaalsContact O-N 3.17Å; I39-I60 HydrophobicContact CB-CD1 4.41Å; I39-I60 HydrophobicContact CG1-CD1 3.63Å; I39-N70 HydrophobicContact CD1-CB 3.5Å; I39-I71 HydrophobicContact CG2-CD1 3.81Å; I39-L74 HydrophobicContact CB-CD1 3.88Å; I39-L74 HydrophobicContact CD1-CD1 4.45Å; I39-L74 HydrophobicContact CG2-CD1 3.58Å
40	L	96.1	Very high	93.2	Very high	0 Å²	0	45 Å²	45	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-64.3	-40.9	175.1	-66.1	-170.4	0	0	0	111.9	L32 E36 L37 Y42 F43 Y44 L74 F79 I104 V107	L32-L40 HydrophobicContact CD1-CD1 3.72Å; E36-L40 WeakPolarHBondContact O-CG 3.44Å; E36-L40 PolarHBondContact O-N 3.39Å; L37-L40 PolarHBondContact O-N 3.35Å; L40-Y42 VanDerWaalsContact C-N 3.32Å; L40-Y42 PolarHBondContact O-N 2.83Å; L40-F43 PolarHBondContact O-N 3.47Å; L40-Y44 WeakPolarHBondContact O-CB 3.46Å; L40-Y44 PolarHBondContact O-N 2.72Å; L40-L74 HydrophobicContact CD1-CD2 4.16Å; L40-L74 HydrophobicContact CD2-CD1 3.91Å; L40-L74 HydrophobicContact CD2-CD2 3.81Å; L40-L74 HydrophobicContact CD2-CG 4.41Å; L40-L74 HydrophobicContact CG-CD1 4.33Å; L40-L74 HydrophobicContact CG-CD2 3.99Å; L40-F79 HydrophobicContact CD1-CD1 3.86Å; L40-F79 HydrophobicContact CD1-CE1 3.98Å; L40-F79 HydrophobicContact CD1-CG 4.16Å; L40-F79 HydrophobicContact CD1-CZ 4.4Å; L40-F79 HydrophobicContact CD2-CB 3.85Å; L40-F79 HydrophobicContact CD2-CD1 4.25Å; L40-F79 HydrophobicContact CD2-CG 4.14Å; L40-I104 HydrophobicContact CB-CG2 4.23Å; L40-I104 HydrophobicContact CD2-CD1 4.02Å; L40-I104 HydrophobicContact CD2-CG1 4.02Å; L40-I104 WeakPolarHBondContact O-CG2 3.18Å; L40-V107 HydrophobicContact CD1-CG1 4.31Å
41	A	96	Very high	93.7	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-61.3	-41.9	173.6	0	0	0	0	0	111.4	L37 L38 I39 F43 Y44 Y45 I108 F138 F247	L37-A41 WeakPolarHBondContact O-CB 3.49Å; L37-A41 PolarHBondContact O-N 3.5Å; L38-A41 PolarHBondContact O-N 3.35Å; I39-A41 VanDerWaalsContact C-N 3.34Å; A41-F43 PolarHBondContact O-N 3.28Å; A41-Y44 WeakPolarHBondContact O-CB 3.39Å; A41-Y44 PolarHBondContact O-N 2.89Å; A41-Y44 VanDerWaalsContact O-N 3.15Å; A41-Y45 HydrophobicContact CB-CD2 4.11Å; A41-Y45 HydrophobicContact CB-CE2 4.01Å; A41-Y45 WeakPolarHBondContact O-CD2 3.5Å; A41-Y45 PolarHBondContact O-N 2.88Å; A41-I108 HydrophobicContact CB-CD1 3.85Å; A41-F138 HydrophobicContact CB-CD2 3.46Å; A41-F138 VanDerWaalsContact CB-CD2 3.46Å; A41-F138 HydrophobicContact CB-CE2 3.39Å; A41-F138 HydrophobicContact CB-CG 4.46Å; A41-F138 HydrophobicContact CB-CZ 4.33Å; A41-F247 HydrophobicContact CB-CE1 4.48Å
42	Y	95.1	Very high	94	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-52.5	-51.8	173.7	179	-89.2	0	0	0	111.8	L38 I39 L40 Y44 K46 I51 I56 D59 I60 F246	L38-Y42 PolarHBondContact O-N 2.97Å; I39-Y42 WeakPolarHBondContact O-CB 3.46Å; I39-Y42 PolarHBondContact O-N 2.99Å; L40-Y42 VanDerWaalsContact C-N 3.32Å; L40-Y42 PolarHBondContact O-N 2.83Å; Y42-Y44 VanDerWaalsContact C-N 3.35Å; Y42-Y44 PolarHBondContact O-N 2.87Å; Y42-K46 HydrophobicContact CE1-CD 3.96Å; Y42-K46 HydrophobicContact CE2-CD 4.11Å; Y42-K46 WeakPolarHBondContact O-CB 3.48Å; Y42-K46 PolarHBondContact O-N 2.9Å; Y42-K46 WeakPolarHBondContact OH-CD 3.35Å; Y42-K46 PolarHBondContact OH-NZ 3.3Å; Y42-K46 VanDerWaalsContact OH-NZ 3.14Å; Y42-I51 HydrophobicContact CD1-CD1 4.15Å; Y42-I51 HydrophobicContact CE1-CD1 3.47Å; Y42-I51 VanDerWaalsContact CE1-CD1 3.47Å; Y42-I51 HydrophobicContact CE1-CG2 4.13Å; Y42-I56 HydrophobicContact CD1-CG1 4.4Å; Y42-I56 HydrophobicContact CE1-CG1 3.82Å; Y42-D59 HydrophobicContact CD2-CB 4.38Å; Y42-D59 HydrophobicContact CE2-CB 3.57Å; Y42-D59 WeakPolarHBondContact CE2-OD2 3.17Å; Y42-D59 VanDerWaalsContact CZ-OD2 3.3Å; Y42-D59 PolarHBondContact OH-OD2 3.48Å; Y42-I60 HydrophobicContact CD2-CD1 4.36Å; Y42-I60 HydrophobicContact CD2-CG1 4.23Å; Y42-I60 HydrophobicContact CG-CD1 4.25Å; Y42-F246 HydrophobicContact CD2-CB 4.14Å; Y42-F246 AromaticContact CD2-CD1 3.69Å; Y42-F246 HydrophobicContact CD2-CD1 3.69Å; Y42-F246 AromaticContact CD2-CD2 3.27Å; Y42-F246 HydrophobicContact CD2-CD2 3.27Å; Y42-F246 AromaticContact CD2-CE1 3.82Å; Y42-F246 HydrophobicContact CD2-CE1 3.82Å; Y42-F246 AromaticContact CD2-CE2 3.44Å; Y42-F246 HydrophobicContact CD2-CE2 3.44Å; Y42-F246 VanDerWaalsContact CD2-CE2 3.44Å; Y42-F246 AromaticContact CD2-CG 3.41Å; Y42-F246 HydrophobicContact CD2-CG 3.41Å; Y42-F246 VanDerWaalsContact CD2-CG 3.41Å; Y42-F246 AromaticContact CD2-CZ 3.69Å; Y42-F246 HydrophobicContact CD2-CZ 3.69Å; Y42-F246 HydrophobicContact CE2-CB 3.81Å; Y42-F246 HydrophobicContact CE2-CD1 4.01Å; Y42-F246 AromaticContact CE2-CD2 3.85Å; Y42-F246 HydrophobicContact CE2-CD2 3.85Å; Y42-F246 HydrophobicContact CE2-CE2 4.43Å; Y42-F246 AromaticContact CE2-CG 3.61Å; Y42-F246 HydrophobicContact CE2-CG 3.61Å; Y42-F246 HydrophobicContact CG-CD2 4.19Å; Y42-F246 HydrophobicContact CG-CE2 4.04Å; Y42-F246 HydrophobicContact CG-CZ 4.34Å
43	F	95.1	Very high	94	Very high	1 Å²	1	34.3 Å²	34.3	0%	0.004	17%	0.173	C	C	.	.	H	α-helix	trans	-65.2	-35.3	177	-76.7	-70.5	0	0	0	114	I39 L40 A41 N47 I51 I56 I71 I80 V94 V96 I104	I39-F43 HydrophobicContact CG2-CD2 4.02Å; I39-F43 HydrophobicContact CG2-CE2 3.76Å; I39-F43 VanDerWaalsContact O-CD2 3.23Å; I39-F43 WeakPolarHBondContact O-CD2 3.41Å; I39-F43 PolarHBondContact O-N 2.96Å; I39-F43 VanDerWaalsContact O-N 3.17Å; L40-F43 PolarHBondContact O-N 3.47Å; A41-F43 PolarHBondContact O-N 3.28Å; F43-N47 PolarHBondContact O-N 3.08Å; F43-I51 HydrophobicContact CD1-CD1 3.73Å; F43-I51 HydrophobicContact CD1-CG1 4.37Å; F43-I51 HydrophobicContact CE1-CB 4.14Å; F43-I51 HydrophobicContact CE1-CD1 3.63Å; F43-I51 HydrophobicContact CE1-CG1 3.91Å; F43-I56 HydrophobicContact CE1-CD1 4.41Å; F43-I56 HydrophobicContact CE2-CD1 4.21Å; F43-I56 HydrophobicContact CZ-CD1 3.56Å; F43-I71 HydrophobicContact CE2-CD1 4.46Å; F43-I80 HydrophobicContact CD2-CG2 4.2Å; F43-I80 HydrophobicContact CE2-CG2 4.16Å; F43-V94 HydrophobicContact CE1-CB 4.36Å; F43-V94 HydrophobicContact CE1-CG1 4.08Å; F43-V94 HydrophobicContact CE2-CG1 3.92Å; F43-V94 HydrophobicContact CZ-CB 3.75Å; F43-V94 HydrophobicContact CZ-CG1 3.3Å; F43-V96 HydrophobicContact CB-CG2 4.13Å; F43-V96 HydrophobicContact CD1-CG2 3.53Å; F43-V96 HydrophobicContact CD2-CG2 4.47Å; F43-V96 HydrophobicContact CE1-CG2 4.03Å; F43-V96 HydrophobicContact CG-CG2 3.79Å; F43-I104 HydrophobicContact CB-CD1 4.34Å
44	Y	96.1	Very high	93.9	Very high	75 Å²	75	40.5 Å²	40.5	29%	0.294	19%	0.194	S	C	.	.	H	α-helix	trans	-64.6	-51.5	178.3	-179.8	-97.3	0	0	0	111.5	L40 A41 Y42 I104 A105 I108	L40-Y44 WeakPolarHBondContact O-CB 3.46Å; L40-Y44 PolarHBondContact O-N 2.72Å; A41-Y44 WeakPolarHBondContact O-CB 3.39Å; A41-Y44 PolarHBondContact O-N 2.89Å; A41-Y44 VanDerWaalsContact O-N 3.15Å; Y42-Y44 VanDerWaalsContact C-N 3.35Å; Y42-Y44 PolarHBondContact O-N 2.87Å; Y44-I104 HydrophobicContact CD2-CG2 4.36Å; Y44-A105 HydrophobicContact CD2-CB 4.12Å; Y44-A105 HydrophobicContact CE2-CB 3.67Å; Y44-I108 HydrophobicContact CD1-CB 4.4Å; Y44-I108 HydrophobicContact CD1-CG1 4.26Å; Y44-I108 HydrophobicContact CD1-CG2 3.86Å; Y44-I108 HydrophobicContact CD2-CB 4.33Å; Y44-I108 HydrophobicContact CD2-CG1 4.13Å; Y44-I108 HydrophobicContact CE1-CG2 3.84Å; Y44-I108 HydrophobicContact CE2-CB 4.49Å; Y44-I108 HydrophobicContact CG-CB 4.29Å; Y44-I108 HydrophobicContact CG-CG1 3.85Å; Y44-I108 HydrophobicContact CG-CG2 4.25Å
45	Y	94.4	Very high	93.9	Very high	58 Å²	58	43 Å²	43	23%	0.227	20%	0.204	C	C	.	.	H	α-helix	trans	-79.8	-33.6	-174.3	-67.8	-66.2	0	0	0	113.5	A41 N47 S134 K135 F247	A41-Y45 HydrophobicContact CB-CD2 4.11Å; A41-Y45 HydrophobicContact CB-CE2 4.01Å; A41-Y45 WeakPolarHBondContact O-CD2 3.5Å; A41-Y45 PolarHBondContact O-N 2.88Å; Y45-N47 VanDerWaalsContact C-N 3.26Å; Y45-N47 PolarHBondContact O-N 3.42Å; Y45-S134 PolarHBondContact OH-OG 2.94Å; Y45-K135 HydrophobicContact CD1-CD 4.16Å; Y45-K135 HydrophobicContact CE1-CB 3.88Å; Y45-K135 HydrophobicContact CE1-CD 4.09Å; Y45-K135 HydrophobicContact CE1-CG 4.26Å; Y45-K135 HydrophobicContact CE2-CB 4.01Å; Y45-K135 PolarHBondContact OH-N 3.37Å; Y45-F247 AromaticContact CD2-CD1 3.75Å; Y45-F247 HydrophobicContact CD2-CD1 3.75Å; Y45-F247 AromaticContact CD2-CE1 3.5Å; Y45-F247 HydrophobicContact CD2-CE1 3.5Å; Y45-F247 HydrophobicContact CE2-CD1 4.37Å; Y45-F247 AromaticContact CE2-CE1 3.97Å; Y45-F247 HydrophobicContact CE2-CE1 3.97Å; Y45-F247 HydrophobicContact CG-CD1 4.12Å; Y45-F247 HydrophobicContact CG-CE1 4.31Å
46	K	92.3	Very high	93.9	Very high	46 Å²	46	40.2 Å²	40.2	20%	0.2	19%	0.192	C	C	.	.	H	α-helix	trans	-71.8	-24.9	177	-167.5	157.6	-179	-126.5	0	112.7	Y42 E48 I51 E55	Y42-K46 HydrophobicContact CE1-CD 3.96Å; Y42-K46 HydrophobicContact CE2-CD 4.11Å; Y42-K46 WeakPolarHBondContact O-CB 3.48Å; Y42-K46 PolarHBondContact O-N 2.9Å; Y42-K46 WeakPolarHBondContact OH-CD 3.35Å; Y42-K46 PolarHBondContact OH-NZ 3.3Å; Y42-K46 VanDerWaalsContact OH-NZ 3.14Å; K46-E48 VanDerWaalsContact CE-CD 3.45Å; K46-E48 VanDerWaalsContact CE-OE1 3.25Å; K46-E48 WeakPolarHBondContact CE-OE1 3.2Å; K46-E48 VanDerWaalsContact CE-OE2 3.23Å; K46-E48 WeakPolarHBondContact CE-OE2 3.3Å; K46-E48 HydrophobicContact CG-CG 4.15Å; K46-E48 IonicContact NZ-OE1 3.44Å; K46-E48 IonicContact NZ-OE2 2.98Å; K46-E48 PolarHBondContact NZ-OE2 3.33Å; K46-E48 PolarHBondContact O-N 2.89Å; K46-I51 HydrophobicContact CB-CD1 4.49Å; K46-I51 HydrophobicContact CD-CD1 3.94Å; K46-I51 HydrophobicContact CG-CD1 4.31Å; K46-E55 IonicContact NZ-OE1 2.7Å; K46-E55 PolarHBondContact NZ-OE1 2.85Å; K46-E55 IonicContact NZ-OE2 3.8Å
47	N	90.6	Very high	93.7	Very high	111 Å²	111	41.4 Å²	41.4	59%	0.594	20%	0.199	S	C	*	.			trans	56.6	11.9	175.8	-159.6	35.5	0	0	0	116.5	F43 Y45 R101	F43-N47 PolarHBondContact O-N 3.08Å; Y45-N47 VanDerWaalsContact C-N 3.26Å; Y45-N47 PolarHBondContact O-N 3.42Å; N47-R101 PolarHBondContact OD1-NH1 3.3Å
48	E	91	Very high	93.4	Very high	79 Å²	79	44.2 Å²	44.2	37%	0.369	23%	0.228	S	C	.	.			trans	-76.6	149.2	173.5	-73.7	169.5	-169.1	0	0	111.3	K46 I51 R101	K46-E48 VanDerWaalsContact CE-CD 3.45Å; K46-E48 VanDerWaalsContact CE-OE1 3.25Å; K46-E48 WeakPolarHBondContact CE-OE1 3.2Å; K46-E48 VanDerWaalsContact CE-OE2 3.23Å; K46-E48 WeakPolarHBondContact CE-OE2 3.3Å; K46-E48 HydrophobicContact CG-CG 4.15Å; K46-E48 IonicContact NZ-OE1 3.44Å; K46-E48 IonicContact NZ-OE2 2.98Å; K46-E48 PolarHBondContact NZ-OE2 3.33Å; K46-E48 PolarHBondContact O-N 2.89Å; E48-I51 HydrophobicContact CB-CD1 4.04Å; E48-I51 HydrophobicContact CB-CG1 3.88Å; E48-I51 WeakPolarHBondContact OE2-CG1 3.37Å; E48-R101 PolarHBondContact O-NH2 3.07Å
49	H	89.8	Confident	93.2	Very high	111 Å²	111	46.8 Å²	46.8	51%	0.514	24%	0.242	S	C	.	.	S	Bend	trans	-77	-38.6	178.6	178.3	61	0	0	0	112.5	S95 V96	H49-S95 CarbonylContact O-C 3.55Å; H49-S95 WeakPolarHBondContact O-CA 3.27Å; H49-S95 WeakPolarHBondContact O-CB 3.43Å; H49-V96 PolarHBondContact CE1-O 3.42Å; H49-V96 VanDerWaalsContact CE1-O 3.25Å; H49-V96 PolarHBondContact ND1-O 3.26Å; H49-V96 PolarHBondContact O-N 3.27Å
50	S	92.9	Very high	92.7	Very high	54 Å²	54	46.8 Å²	46.8	38%	0.378	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	130.4	-175.4	-173.9	0	0	0	0	109.6	V94	S50-V94 WeakPolarHBondContact CA-O 3.33Å
51	I	93.6	Very high	92.2	Very high	1 Å²	1	49.7 Å²	49.7	1%	0.005	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	140	-175.8	-50.4	-178.7	0	0	0	108.6	Y42 F43 K46 E48 E55 I56 V94	Y42-I51 HydrophobicContact CD1-CD1 4.15Å; Y42-I51 HydrophobicContact CE1-CD1 3.47Å; Y42-I51 VanDerWaalsContact CE1-CD1 3.47Å; Y42-I51 HydrophobicContact CE1-CG2 4.13Å; F43-I51 HydrophobicContact CD1-CD1 3.73Å; F43-I51 HydrophobicContact CD1-CG1 4.37Å; F43-I51 HydrophobicContact CE1-CB 4.14Å; F43-I51 HydrophobicContact CE1-CD1 3.63Å; F43-I51 HydrophobicContact CE1-CG1 3.91Å; K46-I51 HydrophobicContact CB-CD1 4.49Å; K46-I51 HydrophobicContact CD-CD1 3.94Å; K46-I51 HydrophobicContact CG-CD1 4.31Å; E48-I51 HydrophobicContact CB-CD1 4.04Å; E48-I51 HydrophobicContact CB-CG1 3.88Å; E48-I51 WeakPolarHBondContact OE2-CG1 3.37Å; I51-E55 HydrophobicContact CG2-CB 4.16Å; I51-E55 HydrophobicContact CG2-CG 4.1Å; I51-E55 WeakPolarHBondContact CG2-OE2 3.37Å; I51-I56 HydrophobicContact CB-CD1 4.43Å; I51-I56 HydrophobicContact CB-CG1 4.37Å; I51-I56 HydrophobicContact CG2-CD1 4.41Å; I51-I56 HydrophobicContact CG2-CG1 3.83Å; I51-V94 PolarHBondContact N-O 3.34Å; I51-V94 PolarHBondContact O-N 3.05Å
52	S	93.5	Very high	91.8	Very high	29 Å²	29	51.2 Å²	51.2	20%	0.203	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	141.3	176.4	78.6	0	0	0	0	110.7	K54 E55 I56	S52-K54 PolarHBondContact O-N 3.2Å; S52-E55 WeakPolarHBondContact O-CB 3.41Å; S52-E55 PolarHBondContact O-N 2.99Å; S52-E55 VanDerWaalsContact O-N 3.13Å; S52-E55 WeakPolarHBondContact OG-CB 3.49Å; S52-E55 PolarHBondContact OG-N 3.36Å; S52-I56 PolarHBondContact O-N 3.36Å
53	L	93.1	Very high	91.6	Very high	14 Å²	14	58.6 Å²	58.6	7%	0.073	30%	0.295	C	S	.	.	H	α-helix	trans	-60.3	-33.6	177.3	-179.5	62.1	0	0	0	111.9	E55 I56 I57 V67 V68 I71 I92	L53-E55 VanDerWaalsContact C-N 3.3Å; L53-E55 PolarHBondContact O-N 3.48Å; L53-I56 PolarHBondContact O-N 3.48Å; L53-I57 HydrophobicContact CD1-CD1 4.34Å; L53-I57 HydrophobicContact CG-CD1 3.88Å; L53-I57 WeakPolarHBondContact O-CD1 3.46Å; L53-I57 WeakPolarHBondContact O-CG1 3.49Å; L53-I57 PolarHBondContact O-N 3.42Å; L53-V67 HydrophobicContact CD1-CG1 4.1Å; L53-V68 HydrophobicContact CD2-CG2 4.08Å; L53-I71 HydrophobicContact CD1-CG1 3.91Å; L53-I92 HydrophobicContact CB-CB 4.04Å; L53-I92 HydrophobicContact CB-CG2 4.19Å; L53-I92 WeakPolarHBondContact CB-O 3.44Å; L53-I92 HydrophobicContact CD2-CB 4.04Å; L53-I92 HydrophobicContact CD2-CD1 4.02Å; L53-I92 HydrophobicContact CD2-CG2 4.09Å; L53-I92 PolarHBondContact N-O 3.28Å
54	K	91.3	Very high	91.5	Very high	181 Å²	181	64.7 Å²	64.7	79%	0.787	32%	0.323	S	S	*	.	H	α-helix	trans	-61.3	-40.2	177.3	-175	-179.7	177.8	-175.9	0	111.6	S52 I57 G58	S52-K54 PolarHBondContact O-N 3.2Å; K54-I57 PolarHBondContact O-N 2.76Å; K54-G58 PolarHBondContact O-N 3.46Å
55	E	92.8	Very high	91.4	Very high	74 Å²	74	65 Å²	65	35%	0.346	34%	0.337	S	S	.	.	H	α-helix	trans	-68.6	-45.2	177.8	-178.2	174.2	-174.2	0	0	111.8	K46 I51 S52 L53 I57 G58 D59	K46-E55 IonicContact NZ-OE1 2.7Å; K46-E55 PolarHBondContact NZ-OE1 2.85Å; K46-E55 IonicContact NZ-OE2 3.8Å; I51-E55 HydrophobicContact CG2-CB 4.16Å; I51-E55 HydrophobicContact CG2-CG 4.1Å; I51-E55 WeakPolarHBondContact CG2-OE2 3.37Å; S52-E55 WeakPolarHBondContact O-CB 3.41Å; S52-E55 PolarHBondContact O-N 2.99Å; S52-E55 VanDerWaalsContact O-N 3.13Å; S52-E55 WeakPolarHBondContact OG-CB 3.49Å; S52-E55 PolarHBondContact OG-N 3.36Å; L53-E55 VanDerWaalsContact C-N 3.3Å; L53-E55 PolarHBondContact O-N 3.48Å; E55-I57 PolarHBondContact O-N 3.46Å; E55-G58 WeakPolarHBondContact O-CA 3.41Å; E55-G58 PolarHBondContact O-N 3.36Å; E55-D59 PolarHBondContact O-N 3.2Å
56	I	93.6	Very high	91.4	Very high	0 Å²	0	64.6 Å²	64.6	0%	0	34%	0.338	C	S	.	.	H	α-helix	trans	-56.4	-41.5	173.8	-58.2	169.1	0	0	0	110.9	Y42 F43 I51 S52 L53 G58 D59 I60 V67 I71 V94	Y42-I56 HydrophobicContact CD1-CG1 4.4Å; Y42-I56 HydrophobicContact CE1-CG1 3.82Å; F43-I56 HydrophobicContact CE1-CD1 4.41Å; F43-I56 HydrophobicContact CE2-CD1 4.21Å; F43-I56 HydrophobicContact CZ-CD1 3.56Å; I51-I56 HydrophobicContact CB-CD1 4.43Å; I51-I56 HydrophobicContact CB-CG1 4.37Å; I51-I56 HydrophobicContact CG2-CD1 4.41Å; I51-I56 HydrophobicContact CG2-CG1 3.83Å; S52-I56 PolarHBondContact O-N 3.36Å; L53-I56 PolarHBondContact O-N 3.48Å; I56-G58 VanDerWaalsContact C-N 3.34Å; I56-D59 PolarHBondContact O-N 2.99Å; I56-I60 HydrophobicContact CG2-CD1 3.61Å; I56-I60 HydrophobicContact CG2-CG1 4.27Å; I56-I60 VanDerWaalsContact O-CB 3.28Å; I56-I60 WeakPolarHBondContact O-CB 3.08Å; I56-I60 WeakPolarHBondContact O-CG1 3.41Å; I56-I60 PolarHBondContact O-N 3.15Å; I56-V67 HydrophobicContact CG2-CG1 3.91Å; I56-I71 HydrophobicContact CD1-CD1 4.31Å; I56-V94 HydrophobicContact CD1-CB 4.03Å; I56-V94 HydrophobicContact CD1-CG2 3.96Å
57	I	92.4	Very high	91.5	Very high	34 Å²	34	62.4 Å²	62.4	17%	0.174	33%	0.329	C	S	.	.	H	α-helix	trans	-66	-36	176.6	-68.1	160.3	0	0	0	111.8	L53 K54 E55 Q64 V67	L53-I57 HydrophobicContact CD1-CD1 4.34Å; L53-I57 HydrophobicContact CG-CD1 3.88Å; L53-I57 WeakPolarHBondContact O-CD1 3.46Å; L53-I57 WeakPolarHBondContact O-CG1 3.49Å; L53-I57 PolarHBondContact O-N 3.42Å; K54-I57 PolarHBondContact O-N 2.76Å; E55-I57 PolarHBondContact O-N 3.46Å; I57-Q64 HydrophobicContact CD1-CB 4.11Å; I57-Q64 HydrophobicContact CD1-CG 3.65Å; I57-Q64 HydrophobicContact CG2-CB 4.09Å; I57-V67 HydrophobicContact CG1-CB 3.92Å; I57-V67 HydrophobicContact CG1-CG1 3.85Å; I57-V67 HydrophobicContact CG1-CG2 4.21Å
58	G	89.8	Confident	91.7	Very high	59 Å²	59	59 Å²	59	61%	0.608	31%	0.312	S	S	*	.	H	α-helix	trans	-69.2	-39.5	177.4	0	0	0	0	0	112.7	K54 E55 I56	K54-G58 PolarHBondContact O-N 3.46Å; E55-G58 WeakPolarHBondContact O-CA 3.41Å; E55-G58 PolarHBondContact O-N 3.36Å; I56-G58 VanDerWaalsContact C-N 3.34Å
59	D	91.8	Very high	91.9	Very high	55 Å²	55	62.5 Å²	62.5	29%	0.294	33%	0.326	S	S	.	.	H	α-helix	trans	-82.7	-36.3	-174.9	-69.2	-17.1	0	0	0	113	Y42 E55 I56 M142 F246	Y42-D59 HydrophobicContact CD2-CB 4.38Å; Y42-D59 HydrophobicContact CE2-CB 3.57Å; Y42-D59 WeakPolarHBondContact CE2-OD2 3.17Å; Y42-D59 VanDerWaalsContact CZ-OD2 3.3Å; Y42-D59 PolarHBondContact OH-OD2 3.48Å; E55-D59 PolarHBondContact O-N 3.2Å; I56-D59 PolarHBondContact O-N 2.99Å; D59-M142 VanDerWaalsContact O-CE 3.32Å; D59-M142 WeakPolarHBondContact O-CE 3.47Å; D59-F246 HydrophobicContact CB-CB 4.21Å; D59-F246 HydrophobicContact CB-CD1 4Å; D59-F246 HydrophobicContact CB-CG 4.41Å
60	I	86.1	Confident	92.2	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	31%	0.306	C	S	.	.	S	Bend	trans	-93.4	115.3	179.3	-57.1	-177.9	0	0	0	107.3	L38 I39 Y42 I56 Y62 F246	L38-I60 HydrophobicContact CD2-CG2 3.77Å; L38-I60 HydrophobicContact CG-CG2 4.49Å; I39-I60 HydrophobicContact CB-CD1 4.41Å; I39-I60 HydrophobicContact CG1-CD1 3.63Å; Y42-I60 HydrophobicContact CD2-CD1 4.36Å; Y42-I60 HydrophobicContact CD2-CG1 4.23Å; Y42-I60 HydrophobicContact CG-CD1 4.25Å; I56-I60 HydrophobicContact CG2-CD1 3.61Å; I56-I60 HydrophobicContact CG2-CG1 4.27Å; I56-I60 VanDerWaalsContact O-CB 3.28Å; I56-I60 WeakPolarHBondContact O-CB 3.08Å; I56-I60 WeakPolarHBondContact O-CG1 3.41Å; I56-I60 PolarHBondContact O-N 3.15Å; I60-Y62 HydrophobicContact CG2-CD2 3.43Å; I60-Y62 VanDerWaalsContact CG2-CD2 3.43Å; I60-Y62 HydrophobicContact CG2-CE2 4.05Å; I60-Y62 HydrophobicContact CG2-CG 4.21Å; I60-Y62 PolarHBondContact O-N 3.49Å; I60-F246 HydrophobicContact CG1-CE1 4.1Å
61	L	85.1	Confident	92.4	Very high	61 Å²	61	55.7 Å²	55.7	32%	0.319	29%	0.289	S	S	.	.			trans	-64.3	32.2	-176.8	-64.9	175.4	0	0	0	114.6	M142 M145 F245	L61-M142 HydrophobicContact CB-CE 3.96Å; L61-M142 HydrophobicContact CB-SD 4.21Å; L61-M142 HydrophobicContact CD1-CE 3.91Å; L61-M142 HydrophobicContact CD1-SD 4.33Å; L61-M142 HydrophobicContact CG-CE 3.55Å; L61-M142 HydrophobicContact CG-SD 4.3Å; L61-M145 HydrophobicContact CB-CE 3.92Å; L61-M145 WeakPolarHBondContact O-CE 3.38Å; L61-F245 HydrophobicContact CD1-CD1 4.43Å; L61-F245 HydrophobicContact CD1-CE1 3.53Å; L61-F245 HydrophobicContact CD1-CZ 3.81Å; L61-F245 HydrophobicContact CD2-CE1 4.47Å; L61-F245 HydrophobicContact CG-CE1 4.11Å
62	Y	87.9	Confident	92.5	Very high	33 Å²	33	61.1 Å²	61.1	13%	0.129	31%	0.312	C	S	.	.	S	Bend	trans	-102.7	155.8	174.3	-74.9	-47.3	0	0	0	111.9	K35 L38 I60 Q64 F141 M145	K35-Y62 HydrophobicContact CB-CE2 3.89Å; K35-Y62 HydrophobicContact CD-CD1 4.3Å; K35-Y62 HydrophobicContact CD-CD2 4.13Å; K35-Y62 HydrophobicContact CD-CE1 3.99Å; K35-Y62 HydrophobicContact CD-CE2 3.78Å; K35-Y62 HydrophobicContact CD-CG 4.41Å; K35-Y62 VanDerWaalsContact CE-CE1 3.49Å; K35-Y62 HydrophobicContact CG-CD2 4.35Å; K35-Y62 HydrophobicContact CG-CE1 4.29Å; K35-Y62 HydrophobicContact CG-CE2 3.57Å; L38-Y62 HydrophobicContact CD2-CE2 3.86Å; I60-Y62 HydrophobicContact CG2-CD2 3.43Å; I60-Y62 VanDerWaalsContact CG2-CD2 3.43Å; I60-Y62 HydrophobicContact CG2-CE2 4.05Å; I60-Y62 HydrophobicContact CG2-CG 4.21Å; I60-Y62 PolarHBondContact O-N 3.49Å; Y62-Q64 PolarHBondContact O-N 3.11Å; Y62-F141 WeakPolarHBondContact OH-CE1 3.31Å; Y62-F141 WeakPolarHBondContact OH-CZ 3.49Å; Y62-M145 HydrophobicContact CD1-CE 3.45Å; Y62-M145 VanDerWaalsContact CD1-CE 3.45Å; Y62-M145 HydrophobicContact CD1-SD 4.5Å; Y62-M145 HydrophobicContact CE1-CE 3.12Å; Y62-M145 HydrophobicContact CE1-SD 3.63Å; Y62-M145 HydrophobicContact CE2-CE 4.42Å; Y62-M145 HydrophobicContact CG-CE 4.18Å; Y62-M145 PolarHBondContact OH-SD 3.46Å
63	K	90.6	Very high	92.6	Very high	155 Å²	155	61.4 Å²	61.4	67%	0.674	32%	0.315	S	S	*	.			trans	-59.2	140.2	168.9	-63.3	-176.7	178.5	-175.3	0	109.8	S65 D66 V67	K63-S65 PolarHBondContact O-N 2.92Å; K63-S65 VanDerWaalsContact O-N 3.12Å; K63-D66 WeakPolarHBondContact O-CB 3.22Å; K63-D66 PolarHBondContact O-N 3.05Å; K63-V67 PolarHBondContact O-N 2.96Å; K63-V67 VanDerWaalsContact O-N 3.14Å
64	Q	92.9	Very high	92.8	Very high	129 Å²	129	60.8 Å²	60.8	60%	0.603	31%	0.311	S	S	*	.	H	α-helix	trans	-48.1	-43	176.9	169.8	166.5	-10.8	0	0	113.2	I57 Y62 D66 V67 V68	I57-Q64 HydrophobicContact CD1-CB 4.11Å; I57-Q64 HydrophobicContact CD1-CG 3.65Å; I57-Q64 HydrophobicContact CG2-CB 4.09Å; Y62-Q64 PolarHBondContact O-N 3.11Å; Q64-D66 VanDerWaalsContact C-N 3.29Å; Q64-D66 PolarHBondContact O-N 3.29Å; Q64-V67 PolarHBondContact O-N 3.38Å; Q64-V68 HydrophobicContact CG-CG2 4.24Å; Q64-V68 WeakPolarHBondContact O-CB 3.5Å; Q64-V68 VanDerWaalsContact O-CG2 3.23Å; Q64-V68 WeakPolarHBondContact O-CG2 3.49Å; Q64-V68 PolarHBondContact O-N 2.94Å
65	S	94.3	Very high	93.1	Very high	82 Å²	82	54 Å²	54	57%	0.573	29%	0.287	S	S	*	.	H	α-helix	trans	-59.2	-38.3	178.6	57.4	0	0	0	0	113.1	K63 K69	K63-S65 PolarHBondContact O-N 2.92Å; K63-S65 VanDerWaalsContact O-N 3.12Å; S65-K69 WeakPolarHBondContact O-CB 3.36Å; S65-K69 PolarHBondContact O-N 3.28Å; S65-K69 VanDerWaalsContact O-N 3.15Å
66	D	94.1	Very high	93.2	Very high	48 Å²	48	59.5 Å²	59.5	26%	0.257	31%	0.31	S	S	.	.	H	α-helix	trans	-70.3	-45.2	176.9	-78.8	-22.8	0	0	0	111	K35 K63 Q64 V68 K69 N70	K35-D66 VanDerWaalsContact NZ-CG 3.33Å; K35-D66 IonicContact NZ-OD1 2.74Å; K35-D66 IonicContact NZ-OD2 3.3Å; K35-D66 PolarHBondContact NZ-OD2 3.4Å; K63-D66 WeakPolarHBondContact O-CB 3.22Å; K63-D66 PolarHBondContact O-N 3.05Å; Q64-D66 VanDerWaalsContact C-N 3.29Å; Q64-D66 PolarHBondContact O-N 3.29Å; D66-V68 PolarHBondContact O-N 2.98Å; D66-K69 PolarHBondContact O-N 3.44Å; D66-N70 PolarHBondContact O-N 3.35Å; D66-N70 PolarHBondContact O-ND2 3.04Å
67	V	94.7	Very high	93.4	Very high	1 Å²	1	63 Å²	63	1%	0.006	33%	0.325	C	S	.	.	H	α-helix	trans	-59.8	-48.9	178.4	-179.5	0	0	0	0	110	L53 I56 I57 K63 Q64 K69 N70 I71	L53-V67 HydrophobicContact CD1-CG1 4.1Å; I56-V67 HydrophobicContact CG2-CG1 3.91Å; I57-V67 HydrophobicContact CG1-CB 3.92Å; I57-V67 HydrophobicContact CG1-CG1 3.85Å; I57-V67 HydrophobicContact CG1-CG2 4.21Å; K63-V67 PolarHBondContact O-N 2.96Å; K63-V67 VanDerWaalsContact O-N 3.14Å; Q64-V67 PolarHBondContact O-N 3.38Å; V67-K69 VanDerWaalsContact C-N 3.31Å; V67-K69 PolarHBondContact O-N 3.06Å; V67-N70 PolarHBondContact O-N 2.99Å; V67-N70 VanDerWaalsContact O-N 3.14Å; V67-I71 HydrophobicContact CG1-CG1 4.14Å; V67-I71 VanDerWaalsContact O-CG1 3.31Å; V67-I71 WeakPolarHBondContact O-CG1 3.36Å; V67-I71 PolarHBondContact O-N 3.15Å
68	V	94.1	Very high	93.6	Very high	39 Å²	39	62.9 Å²	62.9	24%	0.236	33%	0.332	C	S	.	.	H	α-helix	trans	-55.9	-44	177.4	171.8	0	0	0	0	111.7	L53 Q64 D66 K72	L53-V68 HydrophobicContact CD2-CG2 4.08Å; Q64-V68 HydrophobicContact CG-CG2 4.24Å; Q64-V68 WeakPolarHBondContact O-CB 3.5Å; Q64-V68 VanDerWaalsContact O-CG2 3.23Å; Q64-V68 WeakPolarHBondContact O-CG2 3.49Å; Q64-V68 PolarHBondContact O-N 2.94Å; D66-V68 PolarHBondContact O-N 2.98Å; V68-K72 HydrophobicContact CG1-CD 4.38Å; V68-K72 WeakPolarHBondContact O-CG 3.5Å; V68-K72 PolarHBondContact O-N 3.31Å
69	K	95.7	Very high	93.9	Very high	153 Å²	153	60.9 Å²	60.9	67%	0.665	31%	0.307	S	S	*	.	H	α-helix	trans	-62	-45.5	178.2	-176.8	180	178.1	179.2	0	111.6	S65 D66 V67 K72 S73	S65-K69 WeakPolarHBondContact O-CB 3.36Å; S65-K69 PolarHBondContact O-N 3.28Å; S65-K69 VanDerWaalsContact O-N 3.15Å; D66-K69 PolarHBondContact O-N 3.44Å; V67-K69 VanDerWaalsContact C-N 3.31Å; V67-K69 PolarHBondContact O-N 3.06Å; K69-K72 PolarHBondContact O-N 3.48Å; K69-S73 PolarHBondContact O-N 2.78Å; K69-S73 VanDerWaalsContact O-N 3.09Å
70	N	96.5	Very high	94.2	Very high	18 Å²	18	58.3 Å²	58.3	10%	0.096	29%	0.293	C	S	.	.	H	α-helix	trans	-70	-37.9	-179.9	-71.6	-75.1	0	0	0	112.3	E36 I39 D66 V67 K72 S73 L74	E36-N70 HydrophobicContact CG-CB 4.2Å; E36-N70 WeakPolarHBondContact CG-OD1 3.39Å; I39-N70 HydrophobicContact CD1-CB 3.5Å; D66-N70 PolarHBondContact O-N 3.35Å; D66-N70 PolarHBondContact O-ND2 3.04Å; V67-N70 PolarHBondContact O-N 2.99Å; V67-N70 VanDerWaalsContact O-N 3.14Å; N70-K72 PolarHBondContact O-N 3.29Å; N70-S73 WeakPolarHBondContact O-CB 3.41Å; N70-S73 PolarHBondContact O-N 2.98Å; N70-L74 WeakPolarHBondContact O-CB 3.47Å; N70-L74 WeakPolarHBondContact O-CG 3.5Å; N70-L74 PolarHBondContact O-N 2.96Å
71	I	96.1	Very high	94.7	Very high	3 Å²	3	61.5 Å²	61.5	2%	0.015	31%	0.31	C	S	.	.	H	α-helix	trans	-60.9	-44.8	173.6	-68.1	-67.1	0	0	0	111.2	I39 F43 L53 I56 V67 S73 L74 S75 I80 V94	I39-I71 HydrophobicContact CG2-CD1 3.81Å; F43-I71 HydrophobicContact CE2-CD1 4.46Å; L53-I71 HydrophobicContact CD1-CG1 3.91Å; I56-I71 HydrophobicContact CD1-CD1 4.31Å; V67-I71 HydrophobicContact CG1-CG1 4.14Å; V67-I71 VanDerWaalsContact O-CG1 3.31Å; V67-I71 WeakPolarHBondContact O-CG1 3.36Å; V67-I71 PolarHBondContact O-N 3.15Å; I71-S73 VanDerWaalsContact C-N 3.31Å; I71-S73 PolarHBondContact O-N 2.92Å; I71-L74 PolarHBondContact O-N 3.37Å; I71-S75 WeakPolarHBondContact O-CB 3.35Å; I71-S75 PolarHBondContact O-N 3.45Å; I71-I80 HydrophobicContact CB-CD1 4.44Å; I71-I80 HydrophobicContact CD1-CD1 3.72Å; I71-I80 HydrophobicContact CG2-CD1 4.04Å; I71-V94 HydrophobicContact CD1-CG1 4.35Å; I71-V94 HydrophobicContact CD1-CG2 4.25Å; I71-V94 HydrophobicContact CG2-CG2 3.92Å
72	K	95.8	Very high	95.1	Very high	115 Å²	115	63.2 Å²	63.2	50%	0.5	32%	0.315	S	S	.	.	H	α-helix	trans	-59.6	-41.8	174.6	-74	177.3	-178.8	-178.2	0	111.8	V68 K69 N70 K76	V68-K72 HydrophobicContact CG1-CD 4.38Å; V68-K72 WeakPolarHBondContact O-CG 3.5Å; V68-K72 PolarHBondContact O-N 3.31Å; K69-K72 PolarHBondContact O-N 3.48Å; N70-K72 PolarHBondContact O-N 3.29Å; K72-K76 WeakPolarHBondContact O-CG 3.43Å; K72-K76 PolarHBondContact O-N 3.02Å; K72-K76 VanDerWaalsContact O-N 3.14Å
73	S	96.7	Very high	95.3	Very high	36 Å²	36	64.2 Å²	64.2	25%	0.252	33%	0.327	S	S	.	.	H	α-helix	trans	-64.8	-50	178.1	-178.5	0	0	0	0	112.1	E36 K69 N70 I71 S75 K76 K77	E36-S73 WeakPolarHBondContact OE1-CB 3.49Å; E36-S73 PolarHBondContact OE1-OG 2.99Å; K69-S73 PolarHBondContact O-N 2.78Å; K69-S73 VanDerWaalsContact O-N 3.09Å; N70-S73 WeakPolarHBondContact O-CB 3.41Å; N70-S73 PolarHBondContact O-N 2.98Å; I71-S73 VanDerWaalsContact C-N 3.31Å; I71-S73 PolarHBondContact O-N 2.92Å; S73-S75 VanDerWaalsContact C-N 3.28Å; S73-S75 PolarHBondContact O-N 2.71Å; S73-K76 PolarHBondContact O-N 2.97Å; S73-K77 WeakPolarHBondContact O-CG 3.11Å; S73-K77 PolarHBondContact O-N 3.28Å; S73-K77 WeakPolarHBondContact OG-CE 3.23Å
74	L	97.5	Very high	95.3	Very high	0 Å²	0	64.1 Å²	64.1	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-61.1	-36.6	178.2	-75.3	174.7	0	0	0	112.6	L32 E36 I39 L40 N70 I71 K77 G78 F79 I80	L32-L74 HydrophobicContact CD2-CD2 4.18Å; E36-L74 HydrophobicContact CB-CD1 4.36Å; E36-L74 HydrophobicContact CB-CD2 3.87Å; E36-L74 HydrophobicContact CB-CG 4.17Å; E36-L74 HydrophobicContact CG-CD2 4.13Å; E36-L74 HydrophobicContact CG-CG 4.05Å; I39-L74 HydrophobicContact CB-CD1 3.88Å; I39-L74 HydrophobicContact CD1-CD1 4.45Å; I39-L74 HydrophobicContact CG2-CD1 3.58Å; L40-L74 HydrophobicContact CD1-CD2 4.16Å; L40-L74 HydrophobicContact CD2-CD1 3.91Å; L40-L74 HydrophobicContact CD2-CD2 3.81Å; L40-L74 HydrophobicContact CD2-CG 4.41Å; L40-L74 HydrophobicContact CG-CD1 4.33Å; L40-L74 HydrophobicContact CG-CD2 3.99Å; N70-L74 WeakPolarHBondContact O-CB 3.47Å; N70-L74 WeakPolarHBondContact O-CG 3.5Å; N70-L74 PolarHBondContact O-N 2.96Å; I71-L74 PolarHBondContact O-N 3.37Å; L74-K77 CarbonylContact O-C 3.54Å; L74-K77 PolarHBondContact O-N 3.19Å; L74-G78 PolarHBondContact O-N 2.98Å; L74-F79 HydrophobicContact CD2-CB 4.33Å; L74-F79 HydrophobicContact CD2-CD2 4.05Å; L74-F79 HydrophobicContact CD2-CG 4.38Å; L74-F79 PolarHBondContact O-N 2.74Å; L74-I80 HydrophobicContact CB-CD1 3.57Å; L74-I80 HydrophobicContact CB-CG1 3.85Å; L74-I80 HydrophobicContact CD1-CD1 4.28Å
75	S	96.5	Very high	94.8	Very high	40 Å²	40	60.4 Å²	60.4	28%	0.28	31%	0.306	S	S	.	.	H	α-helix	trans	-64.8	-45.7	174.6	-178.9	0	0	0	0	111.9	I71 S73 K77 G78 I80	I71-S75 WeakPolarHBondContact O-CB 3.35Å; I71-S75 PolarHBondContact O-N 3.45Å; S73-S75 VanDerWaalsContact C-N 3.28Å; S73-S75 PolarHBondContact O-N 2.71Å; S75-K77 VanDerWaalsContact C-N 3.25Å; S75-K77 PolarHBondContact O-N 3.05Å; S75-G78 PolarHBondContact O-N 3.37Å; S75-I80 VanDerWaalsContact CA-O 3.31Å; S75-I80 WeakPolarHBondContact CA-O 3.33Å; S75-I80 PolarHBondContact OG-O 2.57Å
76	K	96.1	Very high	94.3	Very high	189 Å²	189	65.7 Å²	65.7	82%	0.822	32%	0.322	S	S	*	.	H	α-helix	trans	-60.7	-33.9	173.2	-72.4	-177.4	177.6	-167.8	0	113	K72 S73 G78	K72-K76 WeakPolarHBondContact O-CG 3.43Å; K72-K76 PolarHBondContact O-N 3.02Å; K72-K76 VanDerWaalsContact O-N 3.14Å; S73-K76 PolarHBondContact O-N 2.97Å; K76-G78 PolarHBondContact O-N 3.17Å
77	K	96.2	Very high	93.8	Very high	72 Å²	72	68 Å²	68	31%	0.313	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.2	1.4	175.6	-66.3	174.3	-175.2	177.5	0	113.1	K31 L32 E36 S73 L74 S75 F79 K103	K31-K77 PolarHBondContact O-NZ 3.4Å; L32-K77 HydrophobicContact CD2-CD 3.58Å; E36-K77 VanDerWaalsContact CD-NZ 3.27Å; E36-K77 IonicContact OE1-NZ 3.22Å; E36-K77 PolarHBondContact OE1-NZ 3.12Å; E36-K77 IonicContact OE2-NZ 2.82Å; E36-K77 PolarHBondContact OE2-NZ 3.5Å; S73-K77 WeakPolarHBondContact O-CG 3.11Å; S73-K77 PolarHBondContact O-N 3.28Å; S73-K77 WeakPolarHBondContact OG-CE 3.23Å; L74-K77 CarbonylContact O-C 3.54Å; L74-K77 PolarHBondContact O-N 3.19Å; S75-K77 VanDerWaalsContact C-N 3.25Å; S75-K77 PolarHBondContact O-N 3.05Å; K77-F79 VanDerWaalsContact C-N 3.32Å; K77-F79 HydrophobicContact CB-CD2 3.69Å; K77-F79 HydrophobicContact CB-CE2 3.98Å; K77-F79 PolarHBondContact O-N 3.3Å; K77-K103 PolarHBondContact O-NZ 3.46Å
78	G	96.4	Very high	93.2	Very high	32 Å²	32	70.5 Å²	70.5	33%	0.33	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	68.1	26.2	176.5	0	0	0	0	0	114.2	L74 S75 K76	L74-G78 PolarHBondContact O-N 2.98Å; S75-G78 PolarHBondContact O-N 3.37Å; K76-G78 PolarHBondContact O-N 3.17Å
79	F	97.2	Very high	92.5	Very high	18 Å²	18	75.3 Å²	75.3	8%	0.079	38%	0.381	C	S	.	.	S	Bend	trans	-87.5	-28.1	174.8	-77	-79.8	0	0	0	113.1	L32 L40 L74 K77 Q100 K103 I104 V107	L32-F79 HydrophobicContact CD1-CE2 4.18Å; L32-F79 HydrophobicContact CD1-CZ 4.07Å; L32-F79 HydrophobicContact CD2-CE2 4.08Å; L40-F79 HydrophobicContact CD1-CD1 3.86Å; L40-F79 HydrophobicContact CD1-CE1 3.98Å; L40-F79 HydrophobicContact CD1-CG 4.16Å; L40-F79 HydrophobicContact CD1-CZ 4.4Å; L40-F79 HydrophobicContact CD2-CB 3.85Å; L40-F79 HydrophobicContact CD2-CD1 4.25Å; L40-F79 HydrophobicContact CD2-CG 4.14Å; L74-F79 HydrophobicContact CD2-CB 4.33Å; L74-F79 HydrophobicContact CD2-CD2 4.05Å; L74-F79 HydrophobicContact CD2-CG 4.38Å; L74-F79 PolarHBondContact O-N 2.74Å; K77-F79 VanDerWaalsContact C-N 3.32Å; K77-F79 HydrophobicContact CB-CD2 3.69Å; K77-F79 HydrophobicContact CB-CE2 3.98Å; K77-F79 PolarHBondContact O-N 3.3Å; F79-Q100 WeakPolarHBondContact O-CB 3.35Å; F79-K103 HydrophobicContact CD1-CD 3.86Å; F79-K103 HydrophobicContact CD1-CG 4.06Å; F79-K103 HydrophobicContact CE1-CD 3.75Å; F79-K103 HydrophobicContact CE1-CG 3.69Å; F79-K103 HydrophobicContact CZ-CD 4.3Å; F79-K103 HydrophobicContact CZ-CG 4.48Å; F79-I104 HydrophobicContact CD1-CG1 4.01Å; F79-V107 HydrophobicContact CE1-CG2 3.75Å; F79-V107 HydrophobicContact CZ-CG2 4.07Å
80	I	97.3	Very high	91.9	Very high	0 Å²	0	78.8 Å²	78.8	0%	0	39%	0.39	C	S	.	.			trans	-145.8	156.4	-174.2	61.4	-178.8	0	0	0	109.9	F43 I71 L74 S75 V94 V96	F43-I80 HydrophobicContact CD2-CG2 4.2Å; F43-I80 HydrophobicContact CE2-CG2 4.16Å; I71-I80 HydrophobicContact CB-CD1 4.44Å; I71-I80 HydrophobicContact CD1-CD1 3.72Å; I71-I80 HydrophobicContact CG2-CD1 4.04Å; L74-I80 HydrophobicContact CB-CD1 3.57Å; L74-I80 HydrophobicContact CB-CG1 3.85Å; L74-I80 HydrophobicContact CD1-CD1 4.28Å; S75-I80 VanDerWaalsContact CA-O 3.31Å; S75-I80 WeakPolarHBondContact CA-O 3.33Å; S75-I80 PolarHBondContact OG-O 2.57Å; I80-V94 HydrophobicContact CB-CG1 3.9Å; I80-V94 HydrophobicContact CD1-CG1 3.67Å; I80-V94 HydrophobicContact CG1-CG1 4.15Å; I80-V94 HydrophobicContact CG2-CG1 4.35Å; I80-V96 HydrophobicContact CG2-CG2 4.03Å
81	N	96.4	Very high	91.5	Very high	67 Å²	67	85.1 Å²	85.1	36%	0.358	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	149.7	169.4	-66.1	-21.8	0	0	0	109.7	V94 S95 T97 Q100	N81-V94 CarbonylContact O-C 3.55Å; N81-V94 VanDerWaalsContact O-CA 3.27Å; N81-V94 WeakPolarHBondContact O-CA 3.35Å; N81-V94 WeakPolarHBondContact O-CG1 3.45Å; N81-S95 PolarHBondContact N-O 3.1Å; N81-S95 PolarHBondContact O-N 3.19Å; N81-T97 WeakPolarHBondContact ND2-CG2 3.39Å; N81-Q100 PolarHBondContact OD1-NE2 2.62Å
82	K	93.7	Very high	91.3	Very high	97 Å²	97	86.9 Å²	86.9	42%	0.422	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	118.6	176.9	-179.3	-159.7	70.4	-177.4	0	108.3	I92 F93	K82-I92 HydrophobicContact CD-CG2 4.05Å; K82-I92 HydrophobicContact CG-CG2 3.52Å; K82-F93 WeakPolarHBondContact CA-O 3.36Å
83	S	92.1	Very high	91.2	Very high	54 Å²	54	84 Å²	84	38%	0.378	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	159.3	177.3	56.1	0	0	0	0	110.9	I92 F93	S83-I92 WeakPolarHBondContact O-CA 3.1Å; S83-F93 PolarHBondContact N-O 2.83Å; S83-F93 PolarHBondContact O-N 3.43Å
84	R	90.2	Very high	91.2	Very high	154 Å²	154	82.3 Å²	82.3	58%	0.581	40%	0.397	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.8	148.3	167.9	-67.9	-179.3	179.2	-89.9	9	108.1	E89 R91	R84-E89 WeakPolarHBondContact CD-O 3.43Å; R84-E89 PolarHBondContact NH1-O 2.84Å; R84-R91 WeakPolarHBondContact CA-O 3.48Å
85	N	84.2	Confident	91.1	Very high	50 Å²	50	83.3 Å²	83.3	27%	0.267	40%	0.404	S	S	.	.			trans	-71.9	137.6	172	-171.5	-47.8	0	0	0	109.4	A87 D88 E89 R91 F93	N85-A87 WeakPolarHBondContact OD1-CB 3.49Å; N85-A87 PolarHBondContact OD1-N 3.35Å; N85-D88 WeakPolarHBondContact CB-O 3.3Å; N85-D88 CarbonylContact O-C 3.28Å; N85-D88 VanDerWaalsContact O-C 3.28Å; N85-E89 WeakPolarHBondContact O-CA 3.41Å; N85-E89 PolarHBondContact O-N 2.84Å; N85-R91 HydrophobicContact CB-CB 3.89Å; N85-R91 PolarHBondContact N-O 3.01Å; N85-F93 HydrophobicContact CB-CD2 4.19Å; N85-F93 HydrophobicContact CB-CE2 3.93Å
86	E	82.7	Confident	91.1	Very high	194 Å²	194	81.4 Å²	81.4	91%	0.907	39%	0.391	S	S	*	.	S	Bend	trans	-69	-32.5	-179.5	-64.4	177.7	177.8	0	0	112.8
87	A	82.7	Confident	91.1	Very high	97 Å²	97	74.4 Å²	74.4	80%	0.802	36%	0.364	S	S	*	.	S	Bend	trans	-81.6	-27.3	179.5	0	0	0	0	0	113.2	N85	N85-A87 WeakPolarHBondContact OD1-CB 3.49Å; N85-A87 PolarHBondContact OD1-N 3.35Å
88	D	83.1	Confident	91.1	Very high	52 Å²	52	75.6 Å²	75.6	28%	0.278	38%	0.379	S	S	.	.			trans	-146.8	94.5	178.2	179.3	-0.3	0	0	0	109.3	N85 R90 R91	N85-D88 WeakPolarHBondContact CB-O 3.3Å; N85-D88 CarbonylContact O-C 3.28Å; N85-D88 VanDerWaalsContact O-C 3.28Å; D88-R90 PolarHBondContact O-N 3.19Å; D88-R90 VanDerWaalsContact OD1-CB 3.25Å; D88-R90 WeakPolarHBondContact OD1-CB 3.46Å; D88-R90 PolarHBondContact OD1-N 3.46Å; D88-R90 VanDerWaalsContact OD1-N 3.12Å; D88-R91 HydrophobicContact CB-CG 4.11Å; D88-R91 WeakPolarHBondContact O-CB 3.43Å; D88-R91 PolarHBondContact O-N 2.75Å; D88-R91 WeakPolarHBondContact OD2-CG 3.49Å; D88-R91 IonicContact OD2-CZ 3.18Å; D88-R91 IonicContact OD2-NE 2.79Å; D88-R91 PolarHBondContact OD2-NE 3.29Å; D88-R91 IonicContact OD2-NH2 3.29Å
89	E	79.3	Confident	91.1	Very high	141 Å²	141	80.8 Å²	80.8	66%	0.659	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-16.4	-176.2	-63.6	-170.2	162.1	0	0	113.8	R84 N85 R91	R84-E89 WeakPolarHBondContact CD-O 3.43Å; R84-E89 PolarHBondContact NH1-O 2.84Å; N85-E89 WeakPolarHBondContact O-CA 3.41Å; N85-E89 PolarHBondContact O-N 2.84Å; E89-R91 VanDerWaalsContact C-N 3.27Å
90	R	83.7	Confident	91.2	Very high	226 Å²	226	80.8 Å²	80.8	85%	0.853	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.3	-20.7	175.8	-56.1	176.6	177.4	164.5	0.2	111.7	D88	D88-R90 PolarHBondContact O-N 3.19Å; D88-R90 VanDerWaalsContact OD1-CB 3.25Å; D88-R90 WeakPolarHBondContact OD1-CB 3.46Å; D88-R90 PolarHBondContact OD1-N 3.46Å; D88-R90 VanDerWaalsContact OD1-N 3.12Å
91	R	87.8	Confident	91.1	Very high	150 Å²	150	83.3 Å²	83.3	57%	0.566	41%	0.408	S	S	*	.			trans	-84	116.6	175.1	-62.5	179.4	-169.5	-162.1	-3	109.7	R84 N85 D88 E89 F93	R84-R91 WeakPolarHBondContact CA-O 3.48Å; N85-R91 HydrophobicContact CB-CB 3.89Å; N85-R91 PolarHBondContact N-O 3.01Å; D88-R91 HydrophobicContact CB-CG 4.11Å; D88-R91 WeakPolarHBondContact O-CB 3.43Å; D88-R91 PolarHBondContact O-N 2.75Å; D88-R91 WeakPolarHBondContact OD2-CG 3.49Å; D88-R91 IonicContact OD2-CZ 3.18Å; D88-R91 IonicContact OD2-NE 2.79Å; D88-R91 PolarHBondContact OD2-NE 3.29Å; D88-R91 IonicContact OD2-NH2 3.29Å; E89-R91 VanDerWaalsContact C-N 3.27Å; R91-F93 HydrophobicContact CB-CE2 4.15Å
92	I	92	Very high	91.2	Very high	40 Å²	40	88.1 Å²	88.1	21%	0.205	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	130.5	176.8	-62	171.1	0	0	0	108.4	L53 K82 S83	L53-I92 HydrophobicContact CB-CB 4.04Å; L53-I92 HydrophobicContact CB-CG2 4.19Å; L53-I92 WeakPolarHBondContact CB-O 3.44Å; L53-I92 HydrophobicContact CD2-CB 4.04Å; L53-I92 HydrophobicContact CD2-CD1 4.02Å; L53-I92 HydrophobicContact CD2-CG2 4.09Å; L53-I92 PolarHBondContact N-O 3.28Å; K82-I92 HydrophobicContact CD-CG2 4.05Å; K82-I92 HydrophobicContact CG-CG2 3.52Å; S83-I92 WeakPolarHBondContact O-CA 3.1Å
93	F	94	Very high	91.3	Very high	56 Å²	56	87.8 Å²	87.8	25%	0.246	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	148.4	171.4	-73.6	-90.9	0	0	0	110	K82 S83 N85 R91	K82-F93 WeakPolarHBondContact CA-O 3.36Å; S83-F93 PolarHBondContact N-O 2.83Å; S83-F93 PolarHBondContact O-N 3.43Å; N85-F93 HydrophobicContact CB-CD2 4.19Å; N85-F93 HydrophobicContact CB-CE2 3.93Å; R91-F93 HydrophobicContact CB-CE2 4.15Å
94	V	95.9	Very high	91.6	Very high	0 Å²	0	85.3 Å²	85.3	0%	0	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	119.7	176.3	-176	0	0	0	0	107.5	F43 S50 I51 I56 I71 I80 N81	F43-V94 HydrophobicContact CE1-CB 4.36Å; F43-V94 HydrophobicContact CE1-CG1 4.08Å; F43-V94 HydrophobicContact CE2-CG1 3.92Å; F43-V94 HydrophobicContact CZ-CB 3.75Å; F43-V94 HydrophobicContact CZ-CG1 3.3Å; S50-V94 WeakPolarHBondContact CA-O 3.33Å; I51-V94 PolarHBondContact N-O 3.34Å; I51-V94 PolarHBondContact O-N 3.05Å; I56-V94 HydrophobicContact CD1-CB 4.03Å; I56-V94 HydrophobicContact CD1-CG2 3.96Å; I71-V94 HydrophobicContact CD1-CG1 4.35Å; I71-V94 HydrophobicContact CD1-CG2 4.25Å; I71-V94 HydrophobicContact CG2-CG2 3.92Å; I80-V94 HydrophobicContact CB-CG1 3.9Å; I80-V94 HydrophobicContact CD1-CG1 3.67Å; I80-V94 HydrophobicContact CG1-CG1 4.15Å; I80-V94 HydrophobicContact CG2-CG1 4.35Å; N81-V94 CarbonylContact O-C 3.55Å; N81-V94 VanDerWaalsContact O-CA 3.27Å; N81-V94 WeakPolarHBondContact O-CA 3.35Å; N81-V94 WeakPolarHBondContact O-CG1 3.45Å
95	S	95.9	Very high	91.9	Very high	20 Å²	20	79.1 Å²	79.1	14%	0.14	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	154.9	-177	62.8	0	0	0	0	112.7	H49 N81	H49-S95 CarbonylContact O-C 3.55Å; H49-S95 WeakPolarHBondContact O-CA 3.27Å; H49-S95 WeakPolarHBondContact O-CB 3.43Å; N81-S95 PolarHBondContact N-O 3.1Å; N81-S95 PolarHBondContact O-N 3.19Å
96	V	97	Very high	92.5	Very high	1 Å²	1	80.2 Å²	80.2	1%	0.006	40%	0.399	C	S	.	.			trans	-128.9	110.2	-178.2	-174.7	0	0	0	0	109.2	F43 H49 I80 Q100 R101 I104	F43-V96 HydrophobicContact CB-CG2 4.13Å; F43-V96 HydrophobicContact CD1-CG2 3.53Å; F43-V96 HydrophobicContact CD2-CG2 4.47Å; F43-V96 HydrophobicContact CE1-CG2 4.03Å; F43-V96 HydrophobicContact CG-CG2 3.79Å; H49-V96 PolarHBondContact CE1-O 3.42Å; H49-V96 VanDerWaalsContact CE1-O 3.25Å; H49-V96 PolarHBondContact ND1-O 3.26Å; H49-V96 PolarHBondContact O-N 3.27Å; I80-V96 HydrophobicContact CG2-CG2 4.03Å; V96-Q100 HydrophobicContact CG1-CB 3.77Å; V96-R101 HydrophobicContact CG1-CB 4.03Å; V96-I104 HydrophobicContact CG1-CD1 3.78Å; V96-I104 HydrophobicContact CG2-CD1 4.33Å
97	T	96.4	Very high	93.2	Very high	41 Å²	41	71.7 Å²	71.7	25%	0.252	36%	0.36	S	S	.	.			trans	-67.9	162.6	176.1	70.6	0	0	0	0	111.6	N81 I99 Q100 R101	N81-T97 WeakPolarHBondContact ND2-CG2 3.39Å; T97-I99 VanDerWaalsContact C-N 3.27Å; T97-I99 PolarHBondContact O-N 3.4Å; T97-Q100 WeakPolarHBondContact O-CB 3.41Å; T97-Q100 PolarHBondContact O-N 3.34Å; T97-Q100 VanDerWaalsContact O-N 3.14Å; T97-Q100 WeakPolarHBondContact OG1-CB 3.39Å; T97-Q100 WeakPolarHBondContact OG1-CG 3.3Å; T97-Q100 PolarHBondContact OG1-N 3.01Å; T97-Q100 PolarHBondContact OG1-OE1 2.94Å; T97-R101 WeakPolarHBondContact O-CB 3.42Å; T97-R101 PolarHBondContact O-N 3.19Å
98	P	96.1	Very high	93.8	Very high	98 Å²	98	67.1 Å²	67.1	64%	0.636	32%	0.322	S	S	*	.	H	α-helix	trans	-56	-38	175.7	-28	36.3	0	0	0	113.9	R101 K102	P98-R101 PolarHBondContact O-N 3.15Å; P98-K102 PolarHBondContact O-N 3.25Å; P98-K102 VanDerWaalsContact O-N 3.12Å
99	I	96.4	Very high	94.5	Very high	141 Å²	141	68.2 Å²	68.2	72%	0.723	33%	0.328	S	S	*	.	H	α-helix	trans	-65.3	-46.5	176.4	-62.3	172.4	0	0	0	110.4	T97 R101 K102 K103	T97-I99 VanDerWaalsContact C-N 3.27Å; T97-I99 PolarHBondContact O-N 3.4Å; I99-R101 VanDerWaalsContact C-N 3.31Å; I99-R101 PolarHBondContact O-N 3.26Å; I99-K102 PolarHBondContact O-N 2.95Å; I99-K103 PolarHBondContact O-N 3.27Å; I99-K103 VanDerWaalsContact O-N 3.12Å
100	Q	97.5	Very high	95.3	Very high	18 Å²	18	64.9 Å²	64.9	8%	0.084	31%	0.312	C	S	.	.	H	α-helix	trans	-62.1	-39	176.2	-75.9	171	-20	0	0	111.8	F79 N81 V96 T97 K102 K103 I104	F79-Q100 WeakPolarHBondContact O-CB 3.35Å; N81-Q100 PolarHBondContact OD1-NE2 2.62Å; V96-Q100 HydrophobicContact CG1-CB 3.77Å; T97-Q100 WeakPolarHBondContact O-CB 3.41Å; T97-Q100 PolarHBondContact O-N 3.34Å; T97-Q100 VanDerWaalsContact O-N 3.14Å; T97-Q100 WeakPolarHBondContact OG1-CB 3.39Å; T97-Q100 WeakPolarHBondContact OG1-CG 3.3Å; T97-Q100 PolarHBondContact OG1-N 3.01Å; T97-Q100 PolarHBondContact OG1-OE1 2.94Å; Q100-K102 PolarHBondContact O-N 3.37Å; Q100-K103 WeakPolarHBondContact O-CA 3.45Å; Q100-K103 WeakPolarHBondContact O-CB 3.41Å; Q100-K103 PolarHBondContact O-N 3.48Å; Q100-K103 VanDerWaalsContact O-N 3.11Å; Q100-I104 WeakPolarHBondContact O-CG1 3.5Å; Q100-I104 PolarHBondContact O-N 2.75Å
101	R	97.1	Very high	95.9	Very high	53 Å²	53	54.1 Å²	54.1	20%	0.2	27%	0.272	C	S	.	.	H	α-helix	trans	-61.5	-43.1	177.5	-169	173.4	-63.1	-79.4	-9.8	111.8	N47 E48 V96 T97 P98 I99 K103 I104 A105	N47-R101 PolarHBondContact OD1-NH1 3.3Å; E48-R101 PolarHBondContact O-NH2 3.07Å; V96-R101 HydrophobicContact CG1-CB 4.03Å; T97-R101 WeakPolarHBondContact O-CB 3.42Å; T97-R101 PolarHBondContact O-N 3.19Å; P98-R101 PolarHBondContact O-N 3.15Å; I99-R101 VanDerWaalsContact C-N 3.31Å; I99-R101 PolarHBondContact O-N 3.26Å; R101-K103 VanDerWaalsContact C-N 3.33Å; R101-K103 PolarHBondContact O-N 3.18Å; R101-I104 PolarHBondContact O-N 2.79Å; R101-A105 WeakPolarHBondContact O-CB 3.36Å; R101-A105 PolarHBondContact O-N 2.79Å
102	K	97.1	Very high	96.3	Very high	167 Å²	167	48 Å²	48	73%	0.726	25%	0.25	S	S	*	.	H	α-helix	trans	-60.3	-42.4	172.5	-70.1	-179.2	179.7	-177.2	0	111.7	P98 I99 Q100 A105 C106	P98-K102 PolarHBondContact O-N 3.25Å; P98-K102 VanDerWaalsContact O-N 3.12Å; I99-K102 PolarHBondContact O-N 2.95Å; Q100-K102 PolarHBondContact O-N 3.37Å; K102-A105 PolarHBondContact O-N 2.89Å; K102-C106 PolarHBondContact O-N 3.29Å
103	K	96.6	Very high	96.5	Very high	91 Å²	91	52.1 Å²	52.1	40%	0.396	27%	0.267	S	S	.	.	H	α-helix	trans	-62	-43.2	176.3	-168	-175.1	-178.6	178.7	0	112	K77 F79 I99 Q100 R101 C106 V107	K77-K103 PolarHBondContact O-NZ 3.46Å; F79-K103 HydrophobicContact CD1-CD 3.86Å; F79-K103 HydrophobicContact CD1-CG 4.06Å; F79-K103 HydrophobicContact CE1-CD 3.75Å; F79-K103 HydrophobicContact CE1-CG 3.69Å; F79-K103 HydrophobicContact CZ-CD 4.3Å; F79-K103 HydrophobicContact CZ-CG 4.48Å; I99-K103 PolarHBondContact O-N 3.27Å; I99-K103 VanDerWaalsContact O-N 3.12Å; Q100-K103 WeakPolarHBondContact O-CA 3.45Å; Q100-K103 WeakPolarHBondContact O-CB 3.41Å; Q100-K103 PolarHBondContact O-N 3.48Å; Q100-K103 VanDerWaalsContact O-N 3.11Å; R101-K103 VanDerWaalsContact C-N 3.33Å; R101-K103 PolarHBondContact O-N 3.18Å; K103-C106 PolarHBondContact O-N 3.43Å; K103-V107 PolarHBondContact O-N 3.03Å
104	I	97.2	Very high	96.6	Very high	2 Å²	2	50.5 Å²	50.5	1%	0.01	26%	0.26	C	S	.	.	H	α-helix	trans	-63.8	-46.7	175.7	-68.2	175.5	0	0	0	110.5	L40 F43 Y44 F79 V96 Q100 R101 C106 V107 I108	L40-I104 HydrophobicContact CB-CG2 4.23Å; L40-I104 HydrophobicContact CD2-CD1 4.02Å; L40-I104 HydrophobicContact CD2-CG1 4.02Å; L40-I104 WeakPolarHBondContact O-CG2 3.18Å; F43-I104 HydrophobicContact CB-CD1 4.34Å; Y44-I104 HydrophobicContact CD2-CG2 4.36Å; F79-I104 HydrophobicContact CD1-CG1 4.01Å; V96-I104 HydrophobicContact CG1-CD1 3.78Å; V96-I104 HydrophobicContact CG2-CD1 4.33Å; Q100-I104 WeakPolarHBondContact O-CG1 3.5Å; Q100-I104 PolarHBondContact O-N 2.75Å; R101-I104 PolarHBondContact O-N 2.79Å; I104-C106 VanDerWaalsContact C-N 3.26Å; I104-C106 PolarHBondContact O-N 3.07Å; I104-V107 WeakPolarHBondContact O-CB 3.46Å; I104-V107 PolarHBondContact O-N 3.31Å; I104-I108 HydrophobicContact CG2-CG1 4.23Å; I104-I108 WeakPolarHBondContact O-CG1 3.39Å; I104-I108 PolarHBondContact O-N 3.29Å
105	A	97.5	Very high	96.7	Very high	23 Å²	23	50.5 Å²	50.5	19%	0.19	26%	0.26	C	S	.	.	H	α-helix	trans	-57	-40.3	178.3	0	0	0	0	0	112.3	Y44 R101 K102 I108 N109	Y44-A105 HydrophobicContact CD2-CB 4.12Å; Y44-A105 HydrophobicContact CE2-CB 3.67Å; R101-A105 WeakPolarHBondContact O-CB 3.36Å; R101-A105 PolarHBondContact O-N 2.79Å; K102-A105 PolarHBondContact O-N 2.89Å; A105-I108 PolarHBondContact O-N 3.19Å; A105-N109 WeakPolarHBondContact O-CB 3.5Å; A105-N109 PolarHBondContact O-N 3.02Å; A105-N109 PolarHBondContact O-ND2 3.37Å
106	C	96.9	Very high	96.7	Very high	73 Å²	73	54.1 Å²	54.1	49%	0.493	27%	0.274	S	S	.	.	H	α-helix	trans	-59	-47.5	173.8	-174.1	0	0	0	0	111.9	K102 K103 I104 I108 N109 E110	K102-C106 PolarHBondContact O-N 3.29Å; K103-C106 PolarHBondContact O-N 3.43Å; I104-C106 VanDerWaalsContact C-N 3.26Å; I104-C106 PolarHBondContact O-N 3.07Å; C106-I108 VanDerWaalsContact C-N 3.35Å; C106-I108 PolarHBondContact O-N 3.01Å; C106-N109 PolarHBondContact O-N 3.22Å; C106-E110 WeakPolarHBondContact O-CG 3.45Å; C106-E110 PolarHBondContact O-N 3.45Å
107	V	96.4	Very high	96.7	Very high	16 Å²	16	55.8 Å²	55.8	10%	0.097	29%	0.291	C	S	.	.	H	α-helix	trans	-60.8	-42.7	177.1	174.7	0	0	0	0	111.9	Y30 L32 L37 L40 F79 K103 I104 E110 L111	Y30-V107 HydrophobicContact CE1-CG1 4.37Å; L32-V107 HydrophobicContact CD1-CG1 4.25Å; L37-V107 HydrophobicContact CD2-CG1 3.7Å; L40-V107 HydrophobicContact CD1-CG1 4.31Å; F79-V107 HydrophobicContact CE1-CG2 3.75Å; F79-V107 HydrophobicContact CZ-CG2 4.07Å; K103-V107 PolarHBondContact O-N 3.03Å; I104-V107 WeakPolarHBondContact O-CB 3.46Å; I104-V107 PolarHBondContact O-N 3.31Å; V107-E110 PolarHBondContact O-N 3.03Å; V107-L111 WeakPolarHBondContact O-CB 3.36Å; V107-L111 PolarHBondContact O-N 3.24Å
108	I	96.9	Very high	96.7	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-67.3	-42.7	179.7	-62.9	-56.7	0	0	0	111.7	A41 Y44 I104 A105 C106 E110 L111 D112 S134	A41-I108 HydrophobicContact CB-CD1 3.85Å; Y44-I108 HydrophobicContact CD1-CB 4.4Å; Y44-I108 HydrophobicContact CD1-CG1 4.26Å; Y44-I108 HydrophobicContact CD1-CG2 3.86Å; Y44-I108 HydrophobicContact CD2-CB 4.33Å; Y44-I108 HydrophobicContact CD2-CG1 4.13Å; Y44-I108 HydrophobicContact CE1-CG2 3.84Å; Y44-I108 HydrophobicContact CE2-CB 4.49Å; Y44-I108 HydrophobicContact CG-CB 4.29Å; Y44-I108 HydrophobicContact CG-CG1 3.85Å; Y44-I108 HydrophobicContact CG-CG2 4.25Å; I104-I108 HydrophobicContact CG2-CG1 4.23Å; I104-I108 WeakPolarHBondContact O-CG1 3.39Å; I104-I108 PolarHBondContact O-N 3.29Å; A105-I108 PolarHBondContact O-N 3.19Å; C106-I108 VanDerWaalsContact C-N 3.35Å; C106-I108 PolarHBondContact O-N 3.01Å; I108-E110 VanDerWaalsContact C-N 3.34Å; I108-E110 PolarHBondContact O-N 2.8Å; I108-L111 WeakPolarHBondContact O-CB 3.32Å; I108-L111 PolarHBondContact O-N 2.9Å; I108-D112 PolarHBondContact O-N 3.16Å; I108-S134 WeakPolarHBondContact CG2-OG 3.23Å
109	N	96.7	Very high	96.7	Very high	75 Å²	75	50 Å²	50	40%	0.401	25%	0.253	S	S	.	.	H	α-helix	trans	-63.5	-39.7	177.1	-70.7	-15.5	0	0	0	112.2	A105 C106 D112 K113	A105-N109 WeakPolarHBondContact O-CB 3.5Å; A105-N109 PolarHBondContact O-N 3.02Å; A105-N109 PolarHBondContact O-ND2 3.37Å; C106-N109 PolarHBondContact O-N 3.22Å; N109-D112 PolarHBondContact O-N 2.73Å; N109-K113 WeakPolarHBondContact O-CG 3.38Å; N109-K113 PolarHBondContact O-N 2.96Å
110	E	95.8	Very high	96.7	Very high	72 Å²	72	51 Å²	51	34%	0.336	25%	0.252	S	S	.	.	H	α-helix	trans	-67.7	-40.1	174.5	-69.9	-54.2	123.2	0	0	111.7	Y30 C106 V107 I108 D112 K113 I114	Y30-E110 WeakPolarHBondContact OH-CB 3.37Å; C106-E110 WeakPolarHBondContact O-CG 3.45Å; C106-E110 PolarHBondContact O-N 3.45Å; V107-E110 PolarHBondContact O-N 3.03Å; I108-E110 VanDerWaalsContact C-N 3.34Å; I108-E110 PolarHBondContact O-N 2.8Å; E110-D112 VanDerWaalsContact C-N 3.29Å; E110-D112 PolarHBondContact O-N 3.36Å; E110-K113 WeakPolarHBondContact O-CB 3.48Å; E110-K113 PolarHBondContact O-N 3.06Å; E110-K113 VanDerWaalsContact O-N 3.13Å; E110-K113 IonicContact OE1-NZ 2.72Å; E110-K113 PolarHBondContact OE1-NZ 2.92Å; E110-K113 IonicContact OE2-NZ 3.79Å; E110-I114 WeakPolarHBondContact O-CG1 3.31Å; E110-I114 PolarHBondContact O-N 2.86Å
111	L	96.7	Very high	96.7	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-58.7	-41.1	173.7	179	60.2	0	0	0	111.8	L26 V107 I108 K113 I114 I115 F138	L26-L111 HydrophobicContact CD1-CD1 3.77Å; L26-L111 HydrophobicContact CD2-CD1 3.37Å; L26-L111 HydrophobicContact CG-CD1 4.22Å; V107-L111 WeakPolarHBondContact O-CB 3.36Å; V107-L111 PolarHBondContact O-N 3.24Å; I108-L111 WeakPolarHBondContact O-CB 3.32Å; I108-L111 PolarHBondContact O-N 2.9Å; L111-K113 VanDerWaalsContact C-N 3.34Å; L111-K113 PolarHBondContact O-N 3.31Å; L111-I114 PolarHBondContact O-N 3.44Å; L111-I115 HydrophobicContact CD1-CD1 4.13Å; L111-I115 HydrophobicContact CD1-CG1 4.34Å; L111-I115 HydrophobicContact CG-CD1 3.94Å; L111-I115 VanDerWaalsContact O-CG1 3.29Å; L111-I115 WeakPolarHBondContact O-CG1 3.46Å; L111-I115 PolarHBondContact O-N 3.2Å; L111-F138 HydrophobicContact CD2-CE2 3.6Å; L111-F138 HydrophobicContact CD2-CZ 3.74Å
112	D	97	Very high	96.6	Very high	22 Å²	22	59.9 Å²	59.9	12%	0.118	29%	0.291	C	S	.	.	H	α-helix	trans	-62.3	-40.1	176	-71.9	-5.8	0	0	0	112.1	I108 N109 E110 K116 Y133 S134	I108-D112 PolarHBondContact O-N 3.16Å; N109-D112 PolarHBondContact O-N 2.73Å; E110-D112 VanDerWaalsContact C-N 3.29Å; E110-D112 PolarHBondContact O-N 3.36Å; D112-K116 VanDerWaalsContact O-CG 3.31Å; D112-K116 WeakPolarHBondContact O-CG 3.1Å; D112-K116 PolarHBondContact O-N 2.97Å; D112-K116 VanDerWaalsContact O-N 3.08Å; D112-Y133 HydrophobicContact CB-CD1 4.12Å; D112-S134 WeakPolarHBondContact OD1-CA 3.35Å; D112-S134 WeakPolarHBondContact OD1-CB 3.21Å; D112-S134 PolarHBondContact OD1-N 3.29Å; D112-S134 PolarHBondContact OD1-OG 3.48Å
113	K	96.1	Very high	96.4	Very high	126 Å²	126	55.9 Å²	55.9	55%	0.548	28%	0.277	S	S	.	.	H	α-helix	trans	-63.3	-44.1	174.7	-68.8	173.9	-174.9	170.8	0	111.5	N109 E110 L111 K116 G117	N109-K113 WeakPolarHBondContact O-CG 3.38Å; N109-K113 PolarHBondContact O-N 2.96Å; E110-K113 WeakPolarHBondContact O-CB 3.48Å; E110-K113 PolarHBondContact O-N 3.06Å; E110-K113 VanDerWaalsContact O-N 3.13Å; E110-K113 IonicContact OE1-NZ 2.72Å; E110-K113 PolarHBondContact OE1-NZ 2.92Å; E110-K113 IonicContact OE2-NZ 3.79Å; L111-K113 VanDerWaalsContact C-N 3.34Å; L111-K113 PolarHBondContact O-N 3.31Å; K113-K116 PolarHBondContact O-N 3.22Å; K113-G117 PolarHBondContact O-N 3.2Å
114	I	95.7	Very high	96.4	Very high	22 Å²	22	53.1 Å²	53.1	11%	0.113	27%	0.265	C	S	.	.	H	α-helix	trans	-64.2	-43.8	179.7	-66.9	160.9	0	0	0	110.8	L22 E25 L26 Q29 Y30 E110 L111 K116 G117 F118	L22-I114 HydrophobicContact CD1-CG2 4.42Å; E25-I114 HydrophobicContact CG-CG2 4.49Å; L26-I114 HydrophobicContact CD2-CB 4.45Å; L26-I114 HydrophobicContact CD2-CD1 4.34Å; L26-I114 HydrophobicContact CD2-CG2 3.82Å; Q29-I114 VanDerWaalsContact OE1-CG1 3.26Å; Y30-I114 HydrophobicContact CD2-CD1 4.41Å; Y30-I114 HydrophobicContact CE2-CD1 3.4Å; Y30-I114 VanDerWaalsContact CE2-CD1 3.4Å; E110-I114 WeakPolarHBondContact O-CG1 3.31Å; E110-I114 PolarHBondContact O-N 2.86Å; L111-I114 PolarHBondContact O-N 3.44Å; I114-K116 VanDerWaalsContact C-N 3.33Å; I114-K116 PolarHBondContact O-N 3.46Å; I114-G117 PolarHBondContact O-N 3.1Å; I114-F118 VanDerWaalsContact O-CB 3.26Å; I114-F118 WeakPolarHBondContact O-CB 3.49Å; I114-F118 PolarHBondContact O-N 2.94Å
115	I	97	Very high	96.2	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-58.5	-46.7	176	-72.3	165.2	0	0	0	110.6	L22 L111 F118 N119 P131 F137	L22-I115 HydrophobicContact CD2-CG1 3.89Å; L111-I115 HydrophobicContact CD1-CD1 4.13Å; L111-I115 HydrophobicContact CD1-CG1 4.34Å; L111-I115 HydrophobicContact CG-CD1 3.94Å; L111-I115 VanDerWaalsContact O-CG1 3.29Å; L111-I115 WeakPolarHBondContact O-CG1 3.46Å; L111-I115 PolarHBondContact O-N 3.2Å; I115-F118 PolarHBondContact O-N 3.08Å; I115-N119 WeakPolarHBondContact O-CB 3.47Å; I115-N119 VanDerWaalsContact O-CG 3.22Å; I115-N119 PolarHBondContact O-N 3Å; I115-N119 PolarHBondContact O-ND2 3.47Å; I115-P131 HydrophobicContact CG2-CG 4.45Å; I115-P131 WeakPolarHBondContact CG2-O 3.06Å; I115-F137 HydrophobicContact CD1-CB 3.76Å; I115-F137 HydrophobicContact CD1-CD1 4.24Å; I115-F137 HydrophobicContact CD1-CG 4.09Å
116	K	96.5	Very high	96	Very high	96 Å²	96	63.4 Å²	63.4	42%	0.417	31%	0.309	S	S	.	.	H	α-helix	trans	-62.5	-44.2	177.2	-72.4	175	178.1	-174.6	0	112.2	D112 K113 I114 N119 K120 K132 Y133	D112-K116 VanDerWaalsContact O-CG 3.31Å; D112-K116 WeakPolarHBondContact O-CG 3.1Å; D112-K116 PolarHBondContact O-N 2.97Å; D112-K116 VanDerWaalsContact O-N 3.08Å; K113-K116 PolarHBondContact O-N 3.22Å; I114-K116 VanDerWaalsContact C-N 3.33Å; I114-K116 PolarHBondContact O-N 3.46Å; K116-N119 PolarHBondContact O-N 3.45Å; K116-K120 PolarHBondContact O-N 3.29Å; K116-K120 VanDerWaalsContact O-N 3.07Å; K116-K132 WeakPolarHBondContact CG-O 3.4Å; K116-Y133 PolarHBondContact NZ-OH 3.34Å
117	G	96.3	Very high	95.9	Very high	36 Å²	36	64.1 Å²	64.1	37%	0.371	30%	0.302	S	S	.	.	H	α-helix	trans	-59.6	-52	176.1	0	0	0	0	0	111.9	K113 I114 N119 K120 E121	K113-G117 PolarHBondContact O-N 3.2Å; I114-G117 PolarHBondContact O-N 3.1Å; G117-N119 VanDerWaalsContact C-N 3.32Å; G117-N119 PolarHBondContact O-N 3.31Å; G117-K120 PolarHBondContact O-N 2.89Å; G117-K120 VanDerWaalsContact O-N 3.1Å; G117-E121 WeakPolarHBondContact O-CB 3.13Å; G117-E121 PolarHBondContact O-N 2.72Å
118	F	96.7	Very high	95.7	Very high	6 Å²	6	73.1 Å²	73.1	3%	0.026	34%	0.343	C	S	.	.	H	α-helix	trans	-57.2	-43.6	177.5	-178.1	-92.4	0	0	0	112.2	Y18 F21 L22 E25 I114 I115 K120 R122 Y124	Y18-F118 HydrophobicContact CD2-CD1 4.42Å; Y18-F118 AromaticContact CD2-CE1 3.8Å; Y18-F118 HydrophobicContact CD2-CE1 3.8Å; Y18-F118 AromaticContact CE2-CD1 3.67Å; Y18-F118 HydrophobicContact CE2-CD1 3.67Å; Y18-F118 AromaticContact CE2-CE1 3.5Å; Y18-F118 HydrophobicContact CE2-CE1 3.5Å; F21-F118 HydrophobicContact CB-CE2 4.28Å; F21-F118 HydrophobicContact CB-CZ 3.73Å; L22-F118 HydrophobicContact CB-CD1 4.28Å; L22-F118 HydrophobicContact CB-CE1 4.01Å; L22-F118 HydrophobicContact CB-CE2 4.42Å; L22-F118 HydrophobicContact CB-CZ 4.08Å; L22-F118 HydrophobicContact CD1-CB 4.06Å; L22-F118 HydrophobicContact CD1-CD1 4.15Å; L22-F118 HydrophobicContact CD1-CD2 4.14Å; L22-F118 HydrophobicContact CD1-CG 3.86Å; E25-F118 HydrophobicContact CB-CD2 4.26Å; E25-F118 HydrophobicContact CB-CE2 4.4Å; E25-F118 HydrophobicContact CG-CD2 4.16Å; I114-F118 VanDerWaalsContact O-CB 3.26Å; I114-F118 WeakPolarHBondContact O-CB 3.49Å; I114-F118 PolarHBondContact O-N 2.94Å; I115-F118 PolarHBondContact O-N 3.08Å; F118-K120 VanDerWaalsContact C-N 3.33Å; F118-K120 PolarHBondContact O-N 3.16Å; F118-R122 WeakPolarHBondContact O-CB 2.93Å; F118-R122 PolarHBondContact O-N 2.99Å; F118-R122 VanDerWaalsContact O-N 3.08Å; F118-Y124 HydrophobicContact CD1-CD2 4.2Å; F118-Y124 HydrophobicContact CD1-CE2 4.38Å; F118-Y124 AromaticContact CE1-CD2 3.78Å; F118-Y124 HydrophobicContact CE1-CD2 3.78Å; F118-Y124 AromaticContact CE1-CE2 3.55Å; F118-Y124 HydrophobicContact CE1-CE2 3.55Å; F118-Y124 HydrophobicContact CZ-CE2 4.06Å
119	N	97.4	Very high	95.6	Very high	10 Å²	10	74.8 Å²	74.8	5%	0.053	35%	0.35	C	S	.	.	H	α-helix	trans	-62.3	-40.6	177.1	-77	-25.6	0	0	0	112.4	Y18 I115 K116 G117 D123 Y124 I125 P131	Y18-N119 WeakPolarHBondContact CE2-OD1 3.07Å; Y18-N119 PolarHBondContact OH-OD1 3.44Å; Y18-N119 VanDerWaalsContact OH-OD1 3.07Å; I115-N119 WeakPolarHBondContact O-CB 3.47Å; I115-N119 VanDerWaalsContact O-CG 3.22Å; I115-N119 PolarHBondContact O-N 3Å; I115-N119 PolarHBondContact O-ND2 3.47Å; K116-N119 PolarHBondContact O-N 3.45Å; G117-N119 VanDerWaalsContact C-N 3.32Å; G117-N119 PolarHBondContact O-N 3.31Å; N119-D123 PolarHBondContact O-N 3.34Å; N119-Y124 PolarHBondContact O-N 3.19Å; N119-I125 HydrophobicContact CB-CG1 4.15Å; N119-P131 PolarHBondContact ND2-O 3.41Å
120	K	96.6	Very high	95.5	Very high	162 Å²	162	71.6 Å²	71.6	70%	0.704	33%	0.334	S	S	*	.	H	α-helix	trans	-69.3	-49.2	179	-173.6	-178.8	176.9	-176.2	0	111.7	K116 G117 F118 R122 D123 I125	K116-K120 PolarHBondContact O-N 3.29Å; K116-K120 VanDerWaalsContact O-N 3.07Å; G117-K120 PolarHBondContact O-N 2.89Å; G117-K120 VanDerWaalsContact O-N 3.1Å; F118-K120 VanDerWaalsContact C-N 3.33Å; F118-K120 PolarHBondContact O-N 3.16Å; K120-R122 VanDerWaalsContact C-N 3.31Å; K120-R122 PolarHBondContact O-N 2.72Å; K120-D123 PolarHBondContact O-N 2.97Å; K120-I125 HydrophobicContact CB-CD1 3.85Å; K120-I125 HydrophobicContact CG-CD1 4.1Å
121	E	95.7	Very high	95.5	Very high	147 Å²	147	68.2 Å²	68.2	69%	0.687	32%	0.318	S	S	*	.	H	α-helix	trans	-62.9	-37.8	-177	-171.8	-172.8	156.3	0	0	112.3	G117	G117-E121 WeakPolarHBondContact O-CB 3.13Å; G117-E121 PolarHBondContact O-N 2.72Å
122	R	94.8	Very high	95.4	Very high	111 Å²	111	74.6 Å²	74.6	42%	0.419	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.2	14.5	-177.3	-60.8	-165.7	179.1	-134	0.7	114.5	F118 K120 Y124	F118-R122 WeakPolarHBondContact O-CB 2.93Å; F118-R122 PolarHBondContact O-N 2.99Å; F118-R122 VanDerWaalsContact O-N 3.08Å; K120-R122 VanDerWaalsContact C-N 3.31Å; K120-R122 PolarHBondContact O-N 2.72Å; R122-Y124 HydrophobicContact CB-CD2 3.67Å; R122-Y124 HydrophobicContact CB-CE2 3.64Å; R122-Y124 PolarHBondContact O-N 2.85Å
123	D	94.8	Very high	95.4	Very high	83 Å²	83	78.1 Å²	78.1	44%	0.444	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.4	39	177.7	-171.5	36.3	0	0	0	113.6	N119 K120 I125 K126	N119-D123 PolarHBondContact O-N 3.34Å; K120-D123 PolarHBondContact O-N 2.97Å; D123-I125 VanDerWaalsContact C-N 3.28Å; D123-K126 WeakPolarHBondContact O-CE 3.26Å; D123-K126 WeakPolarHBondContact O-CG 3.07Å; D123-K126 WeakPolarHBondContact OD2-CD 3.44Å; D123-K126 WeakPolarHBondContact OD2-CE 3.47Å; D123-K126 IonicContact OD2-NZ 2.9Å; D123-K126 PolarHBondContact OD2-NZ 3.49Å
124	Y	95.7	Very high	95.4	Very high	34 Å²	34	72.1 Å²	72.1	13%	0.133	33%	0.332	C	S	.	.			trans	-80	-12.5	171.1	-74.5	-73.5	0	0	0	112.6	Y18 F118 N119 R122 K126 Y127 W129 A130	Y18-Y124 AromaticContact CD2-CD1 3.71Å; Y18-Y124 HydrophobicContact CD2-CD1 3.71Å; Y18-Y124 AromaticContact CD2-CD2 3.68Å; Y18-Y124 HydrophobicContact CD2-CD2 3.68Å; Y18-Y124 AromaticContact CD2-CE1 3.76Å; Y18-Y124 HydrophobicContact CD2-CE1 3.76Å; Y18-Y124 AromaticContact CD2-CE2 3.72Å; Y18-Y124 HydrophobicContact CD2-CE2 3.72Å; Y18-Y124 AromaticContact CD2-CG 3.68Å; Y18-Y124 HydrophobicContact CD2-CG 3.68Å; Y18-Y124 AromaticContact CD2-CZ 3.77Å; Y18-Y124 HydrophobicContact CE2-CD1 4.37Å; Y18-Y124 AromaticContact CE2-CD2 3.82Å; Y18-Y124 HydrophobicContact CE2-CD2 3.82Å; Y18-Y124 HydrophobicContact CE2-CE2 4.23Å; Y18-Y124 AromaticContact CE2-CG 3.91Å; Y18-Y124 HydrophobicContact CE2-CG 3.91Å; Y18-Y124 HydrophobicContact CG-CE1 4.49Å; F118-Y124 HydrophobicContact CD1-CD2 4.2Å; F118-Y124 HydrophobicContact CD1-CE2 4.38Å; F118-Y124 AromaticContact CE1-CD2 3.78Å; F118-Y124 HydrophobicContact CE1-CD2 3.78Å; F118-Y124 AromaticContact CE1-CE2 3.55Å; F118-Y124 HydrophobicContact CE1-CE2 3.55Å; F118-Y124 HydrophobicContact CZ-CE2 4.06Å; N119-Y124 PolarHBondContact O-N 3.19Å; R122-Y124 HydrophobicContact CB-CD2 3.67Å; R122-Y124 HydrophobicContact CB-CE2 3.64Å; R122-Y124 PolarHBondContact O-N 2.85Å; Y124-K126 PolarHBondContact O-N 2.79Å; Y124-K126 VanDerWaalsContact O-N 3.16Å; Y124-Y127 AromaticContact CD1-CD2 3.79Å; Y124-Y127 HydrophobicContact CD1-CD2 3.79Å; Y124-Y127 AromaticContact CD1-CE2 3.99Å; Y124-Y127 HydrophobicContact CD1-CE2 3.99Å; Y124-Y127 HydrophobicContact CE1-CE2 4.49Å; Y124-Y127 WeakPolarHBondContact O-CB 3.48Å; Y124-Y127 PolarHBondContact O-N 3.47Å; Y124-W129 AromaticContact CD1-CH2 3.96Å; Y124-W129 HydrophobicContact CD1-CH2 3.96Å; Y124-W129 HydrophobicContact CE1-CH2 4.05Å; Y124-A130 WeakPolarHBondContact O-CB 3.3Å
125	I	93.6	Very high	95.4	Very high	115 Å²	115	74.6 Å²	74.6	59%	0.59	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	-31.8	-179.4	-61	174.9	0	0	0	111.9	N119 K120 D123 Y127	N119-I125 HydrophobicContact CB-CG1 4.15Å; K120-I125 HydrophobicContact CB-CD1 3.85Å; K120-I125 HydrophobicContact CG-CD1 4.1Å; D123-I125 VanDerWaalsContact C-N 3.28Å; I125-Y127 PolarHBondContact O-N 2.96Å
126	K	93.6	Very high	95.3	Very high	126 Å²	126	78.1 Å²	78.1	55%	0.548	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-21.2	176.9	70.5	-170.9	169.7	-160.2	0	113.9	D123 Y124	D123-K126 WeakPolarHBondContact O-CE 3.26Å; D123-K126 WeakPolarHBondContact O-CG 3.07Å; D123-K126 WeakPolarHBondContact OD2-CD 3.44Å; D123-K126 WeakPolarHBondContact OD2-CE 3.47Å; D123-K126 IonicContact OD2-NZ 2.9Å; D123-K126 PolarHBondContact OD2-NZ 3.49Å; Y124-K126 PolarHBondContact O-N 2.79Å; Y124-K126 VanDerWaalsContact O-N 3.16Å
127	Y	93.9	Very high	95.2	Very high	88 Å²	88	73.6 Å²	73.6	35%	0.345	34%	0.339	S	S	.	.			trans	-90.5	116.4	-179.5	-61.7	-71.8	0	0	0	110.7	Y124 I125 W129 A130	Y124-Y127 AromaticContact CD1-CD2 3.79Å; Y124-Y127 HydrophobicContact CD1-CD2 3.79Å; Y124-Y127 AromaticContact CD1-CE2 3.99Å; Y124-Y127 HydrophobicContact CD1-CE2 3.99Å; Y124-Y127 HydrophobicContact CE1-CE2 4.49Å; Y124-Y127 WeakPolarHBondContact O-CB 3.48Å; Y124-Y127 PolarHBondContact O-N 3.47Å; I125-Y127 PolarHBondContact O-N 2.96Å; Y127-W129 AromaticContact CD1-CE2 3.98Å; Y127-W129 HydrophobicContact CD1-CZ2 4.06Å; Y127-W129 AromaticContact CD1-NE1 3.51Å; Y127-W129 AromaticContact CD2-CZ2 3.99Å; Y127-W129 HydrophobicContact CD2-CZ2 3.99Å; Y127-W129 AromaticContact CG-CE2 3.76Å; Y127-W129 AromaticContact CG-CZ2 3.73Å; Y127-W129 HydrophobicContact CG-CZ2 3.73Å; Y127-W129 AromaticContact CG-NE1 3.69Å; Y127-W129 PolarHBondContact O-N 3.32Å; Y127-A130 WeakPolarHBondContact O-CB 3.42Å; Y127-A130 PolarHBondContact O-N 3.35Å
128	Q	93	Very high	95.2	Very high	205 Å²	205	71.9 Å²	71.9	96%	0.958	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-21.3	176.4	-66.9	-178	-7.2	0	0	114
129	W	93.2	Very high	95	Very high	34 Å²	34	73.5 Å²	73.5	13%	0.129	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.4	-11.4	179	59.8	-103.2	0	0	0	114.1	K11 N14 V15 Y18 Y124 Y127 L140	K11-W129 HydrophobicContact CD-CG 4.47Å; K11-W129 HydrophobicContact CG-CG 4.37Å; N14-W129 HydrophobicContact CB-CH2 4.32Å; N14-W129 HydrophobicContact CB-CZ2 3.85Å; V15-W129 HydrophobicContact CB-CE3 4.43Å; V15-W129 HydrophobicContact CB-CZ3 4.37Å; V15-W129 HydrophobicContact CG2-CD2 3.76Å; V15-W129 HydrophobicContact CG2-CE3 3.44Å; V15-W129 VanDerWaalsContact CG2-CE3 3.44Å; V15-W129 HydrophobicContact CG2-CG 4.37Å; V15-W129 HydrophobicContact CG2-CH2 4.4Å; V15-W129 HydrophobicContact CG2-CZ3 3.8Å; Y18-W129 HydrophobicContact CD2-CZ3 4.32Å; Y18-W129 HydrophobicContact CG-CH2 4.4Å; Y18-W129 AromaticContact CG-CZ3 3.98Å; Y18-W129 HydrophobicContact CG-CZ3 3.98Å; Y124-W129 AromaticContact CD1-CH2 3.96Å; Y124-W129 HydrophobicContact CD1-CH2 3.96Å; Y124-W129 HydrophobicContact CE1-CH2 4.05Å; Y127-W129 AromaticContact CD1-CE2 3.98Å; Y127-W129 HydrophobicContact CD1-CZ2 4.06Å; Y127-W129 AromaticContact CD1-NE1 3.51Å; Y127-W129 AromaticContact CD2-CZ2 3.99Å; Y127-W129 HydrophobicContact CD2-CZ2 3.99Å; Y127-W129 AromaticContact CG-CE2 3.76Å; Y127-W129 AromaticContact CG-CZ2 3.73Å; Y127-W129 HydrophobicContact CG-CZ2 3.73Å; Y127-W129 AromaticContact CG-NE1 3.69Å; Y127-W129 PolarHBondContact O-N 3.32Å; W129-L140 WeakPolarHBondContact O-CD1 3.44Å
130	A	96	Very high	94.9	Very high	8 Å²	8	74.6 Å²	74.6	7%	0.066	34%	0.335	C	S	.	.	S	Bend	trans	-66.3	131.8	-179.1	0	0	0	0	0	109.9	Y124 Y127 K132	Y124-A130 WeakPolarHBondContact O-CB 3.3Å; Y127-A130 WeakPolarHBondContact O-CB 3.42Å; Y127-A130 PolarHBondContact O-N 3.35Å; A130-K132 PolarHBondContact O-N 2.96Å
131	P	95.9	Very high	94.8	Very high	1 Å²	1	68 Å²	68	1%	0.006	31%	0.306	C	S	.	.			trans	-72.3	132.6	-175.2	30	-33	0	0	0	110.4	Y18 I115 N119 E136 F137 L140	Y18-P131 HydrophobicContact CD1-CG 4.48Å; Y18-P131 HydrophobicContact CE1-CG 3.47Å; Y18-P131 VanDerWaalsContact CE1-CG 3.47Å; Y18-P131 WeakPolarHBondContact OH-CG 3.04Å; I115-P131 HydrophobicContact CG2-CG 4.45Å; I115-P131 WeakPolarHBondContact CG2-O 3.06Å; N119-P131 PolarHBondContact ND2-O 3.41Å; P131-E136 WeakPolarHBondContact CA-OE2 3.39Å; P131-E136 HydrophobicContact CB-CB 3.59Å; P131-F137 HydrophobicContact CB-CB 3.84Å; P131-F137 HydrophobicContact CG-CB 3.87Å; P131-F137 HydrophobicContact CG-CD2 4.36Å; P131-L140 HydrophobicContact CB-CD1 3.95Å; P131-L140 HydrophobicContact CG-CD1 3.87Å
132	K	94.7	Very high	94.7	Very high	134 Å²	134	61 Å²	61	58%	0.583	27%	0.274	S	S	*	.	S	Bend	trans	-83.4	-26.2	177.2	-63.6	177.6	-177.5	177.2	0	113	K116 A130 E136	K116-K132 WeakPolarHBondContact CG-O 3.4Å; A130-K132 PolarHBondContact O-N 2.96Å; K132-E136 PolarHBondContact N-OE2 3.38Å
133	Y	96	Very high	94.6	Very high	97 Å²	97	56.7 Å²	56.7	38%	0.38	26%	0.259	S	S	.	.	S	Bend	trans	-141.6	163.3	-174.4	-57.5	-79.4	0	0	0	110.5	D112 K116 K135 E136 F137	D112-Y133 HydrophobicContact CB-CD1 4.12Å; K116-Y133 PolarHBondContact NZ-OH 3.34Å; Y133-K135 PolarHBondContact O-N 2.99Å; Y133-E136 PolarHBondContact O-N 3.25Å; Y133-E136 VanDerWaalsContact O-N 3.11Å; Y133-F137 PolarHBondContact O-N 3.42Å
134	S	95.8	Very high	94.5	Very high	0 Å²	0	53 Å²	53	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-54.6	-36.8	178.1	54.6	0	0	0	0	112.9	Y45 I108 D112 F137 F138	Y45-S134 PolarHBondContact OH-OG 2.94Å; I108-S134 WeakPolarHBondContact CG2-OG 3.23Å; D112-S134 WeakPolarHBondContact OD1-CA 3.35Å; D112-S134 WeakPolarHBondContact OD1-CB 3.21Å; D112-S134 PolarHBondContact OD1-N 3.29Å; D112-S134 PolarHBondContact OD1-OG 3.48Å; S134-F137 PolarHBondContact O-N 2.87Å; S134-F138 WeakPolarHBondContact O-CD2 3.2Å; S134-F138 PolarHBondContact O-N 2.91Å
135	K	95.4	Very high	94.4	Very high	74 Å²	74	52.6 Å²	52.6	32%	0.322	24%	0.239	S	C	.	.	H	α-helix	trans	-53.3	-56.1	173.3	-171.2	171	-174.8	171.7	0	111.5	Y45 Y133 F137 F138 I139 F247	Y45-K135 HydrophobicContact CD1-CD 4.16Å; Y45-K135 HydrophobicContact CE1-CB 3.88Å; Y45-K135 HydrophobicContact CE1-CD 4.09Å; Y45-K135 HydrophobicContact CE1-CG 4.26Å; Y45-K135 HydrophobicContact CE2-CB 4.01Å; Y45-K135 PolarHBondContact OH-N 3.37Å; Y133-K135 PolarHBondContact O-N 2.99Å; K135-F137 VanDerWaalsContact C-N 3.33Å; K135-F137 PolarHBondContact O-N 3.19Å; K135-F138 PolarHBondContact O-N 2.86Å; K135-I139 HydrophobicContact CG-CD1 4.24Å; K135-I139 VanDerWaalsContact O-CG1 3.3Å; K135-I139 WeakPolarHBondContact O-CG1 3.25Å; K135-I139 PolarHBondContact O-N 2.99Å; K135-F247 WeakPolarHBondContact CE-OXT 3.34Å; K135-F247 HydrophobicContact CG-CB 4.13Å; K135-F247 HydrophobicContact CG-CD1 3.72Å; K135-F247 HydrophobicContact CG-CE1 4.46Å; K135-F247 HydrophobicContact CG-CG 4.15Å; K135-F247 PolarHBondContact NZ-OXT 3.19Å
136	E	94.9	Very high	94.4	Very high	74 Å²	74	50.6 Å²	50.6	35%	0.346	23%	0.225	S	C	.	.	H	α-helix	trans	-64	-40.4	-179.9	-66.1	172.7	-156.5	0	0	111.2	P131 K132 Y133 F138 I139 L140	P131-E136 WeakPolarHBondContact CA-OE2 3.39Å; P131-E136 HydrophobicContact CB-CB 3.59Å; K132-E136 PolarHBondContact N-OE2 3.38Å; Y133-E136 PolarHBondContact O-N 3.25Å; Y133-E136 VanDerWaalsContact O-N 3.11Å; E136-F138 PolarHBondContact O-N 3.42Å; E136-I139 PolarHBondContact O-N 3.47Å; E136-L140 WeakPolarHBondContact O-CG 3.39Å; E136-L140 PolarHBondContact O-N 2.93Å
137	F	96	Very high	94.3	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-59.8	-47.3	177.8	165.2	-111.4	0	0	0	111.8	Y18 I19 L22 L26 L34 I115 P131 Y133 S134 K135 L140 F141	Y18-F137 HydrophobicContact CE1-CD2 4.14Å; I19-F137 HydrophobicContact CG1-CE2 4.19Å; L22-F137 HydrophobicContact CD2-CD2 3.56Å; L22-F137 HydrophobicContact CD2-CE2 3.46Å; L22-F137 VanDerWaalsContact CD2-CE2 3.46Å; L22-F137 HydrophobicContact CD2-CG 4.2Å; L22-F137 HydrophobicContact CD2-CZ 4.01Å; L22-F137 HydrophobicContact CG-CE2 4.21Å; L22-F137 HydrophobicContact CG-CZ 4.46Å; L26-F137 HydrophobicContact CD1-CE1 4.3Å; L26-F137 HydrophobicContact CD1-CZ 4.34Å; L34-F137 HydrophobicContact CD1-CE1 3.59Å; L34-F137 HydrophobicContact CD1-CZ 3.68Å; I115-F137 HydrophobicContact CD1-CB 3.76Å; I115-F137 HydrophobicContact CD1-CD1 4.24Å; I115-F137 HydrophobicContact CD1-CG 4.09Å; P131-F137 HydrophobicContact CB-CB 3.84Å; P131-F137 HydrophobicContact CG-CB 3.87Å; P131-F137 HydrophobicContact CG-CD2 4.36Å; Y133-F137 PolarHBondContact O-N 3.42Å; S134-F137 PolarHBondContact O-N 2.87Å; K135-F137 VanDerWaalsContact C-N 3.33Å; K135-F137 PolarHBondContact O-N 3.19Å; F137-L140 WeakPolarHBondContact O-CB 3.21Å; F137-L140 PolarHBondContact O-N 2.85Å; F137-F141 WeakPolarHBondContact O-CB 3.28Å; F137-F141 PolarHBondContact O-N 2.99Å
138	F	95.2	Very high	94.4	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-71.7	-31.2	179.6	-72.5	-55.8	0	0	0	113	L34 L37 L38 A41 L111 S134 K135 E136 F141 M142 F247	L34-F138 HydrophobicContact CD1-CE1 3.86Å; L37-F138 HydrophobicContact CB-CE1 4.43Å; L37-F138 HydrophobicContact CB-CZ 3.81Å; L38-F138 HydrophobicContact CB-CD1 3.9Å; L38-F138 HydrophobicContact CB-CE1 3.75Å; L38-F138 HydrophobicContact CB-CZ 4.42Å; L38-F138 HydrophobicContact CD1-CB 3.68Å; L38-F138 HydrophobicContact CD1-CD1 3.46Å; L38-F138 VanDerWaalsContact CD1-CD1 3.46Å; L38-F138 HydrophobicContact CD1-CD2 4.43Å; L38-F138 HydrophobicContact CD1-CE1 4.19Å; L38-F138 HydrophobicContact CD1-CG 3.61Å; L38-F138 HydrophobicContact CG-CD1 4.25Å; A41-F138 HydrophobicContact CB-CD2 3.46Å; A41-F138 VanDerWaalsContact CB-CD2 3.46Å; A41-F138 HydrophobicContact CB-CE2 3.39Å; A41-F138 HydrophobicContact CB-CG 4.46Å; A41-F138 HydrophobicContact CB-CZ 4.33Å; L111-F138 HydrophobicContact CD2-CE2 3.6Å; L111-F138 HydrophobicContact CD2-CZ 3.74Å; S134-F138 WeakPolarHBondContact O-CD2 3.2Å; S134-F138 PolarHBondContact O-N 2.91Å; K135-F138 PolarHBondContact O-N 2.86Å; E136-F138 PolarHBondContact O-N 3.42Å; F138-F141 HydrophobicContact CD1-CD1 4.32Å; F138-F141 PolarHBondContact O-N 2.75Å; F138-M142 WeakPolarHBondContact O-CB 3.17Å; F138-M142 WeakPolarHBondContact O-CG 3.44Å; F138-M142 PolarHBondContact O-N 2.78Å; F138-F247 HydrophobicContact CB-CE1 4.12Å; F138-F247 HydrophobicContact CB-CE2 3.56Å; F138-F247 HydrophobicContact CB-CZ 3.18Å; F138-F247 HydrophobicContact CD2-CZ 4.26Å; F138-F247 HydrophobicContact CG-CZ 4.05Å
139	I	93.6	Very high	94.4	Very high	40 Å²	40	37.6 Å²	37.6	21%	0.205	17%	0.17	C	C	.	.	H	α-helix	trans	-59	-48.8	168.2	-69.4	167.3	0	0	0	109.9	K135 E136 F141 M142 N143 F247	K135-I139 HydrophobicContact CG-CD1 4.24Å; K135-I139 VanDerWaalsContact O-CG1 3.3Å; K135-I139 WeakPolarHBondContact O-CG1 3.25Å; K135-I139 PolarHBondContact O-N 2.99Å; E136-I139 PolarHBondContact O-N 3.47Å; I139-F141 VanDerWaalsContact C-N 3.34Å; I139-F141 PolarHBondContact O-N 2.85Å; I139-M142 PolarHBondContact O-N 2.68Å; I139-N143 WeakPolarHBondContact CG2-ND2 3.39Å; I139-N143 WeakPolarHBondContact O-CB 3.29Å; I139-N143 PolarHBondContact O-N 2.85Å; I139-N143 PolarHBondContact O-ND2 2.93Å; I139-F247 HydrophobicContact CB-CD2 4.45Å; I139-F247 HydrophobicContact CD1-CB 3.75Å; I139-F247 HydrophobicContact CD1-CD2 4.29Å; I139-F247 HydrophobicContact CD1-CG 4.18Å; I139-F247 HydrophobicContact CG1-CB 3.75Å; I139-F247 HydrophobicContact CG1-CD2 3.35Å; I139-F247 HydrophobicContact CG1-CE2 4.11Å; I139-F247 HydrophobicContact CG1-CG 3.73Å
140	L	94.2	Very high	94.5	Very high	34 Å²	34	38.1 Å²	38.1	18%	0.178	17%	0.174	C	C	.	.	H	α-helix	trans	-61	-45	177.5	-69.9	174.7	0	0	0	111.2	V15 I19 W129 P131 E136 F137 M142 N143 I144	V15-L140 HydrophobicContact CG1-CB 4.16Å; V15-L140 HydrophobicContact CG1-CD1 4.43Å; V15-L140 HydrophobicContact CG1-CD2 4.2Å; I19-L140 HydrophobicContact CD1-CB 4.21Å; W129-L140 WeakPolarHBondContact O-CD1 3.44Å; P131-L140 HydrophobicContact CB-CD1 3.95Å; P131-L140 HydrophobicContact CG-CD1 3.87Å; E136-L140 WeakPolarHBondContact O-CG 3.39Å; E136-L140 PolarHBondContact O-N 2.93Å; F137-L140 WeakPolarHBondContact O-CB 3.21Å; F137-L140 PolarHBondContact O-N 2.85Å; L140-M142 PolarHBondContact O-N 3.19Å; L140-N143 WeakPolarHBondContact O-CB 3.26Å; L140-N143 PolarHBondContact O-N 3.31Å; L140-I144 WeakPolarHBondContact O-CG1 3.46Å; L140-I144 PolarHBondContact O-N 3.11Å
141	F	94.4	Very high	94.5	Very high	22 Å²	22	37.7 Å²	37.7	10%	0.096	17%	0.171	C	C	.	.	H	α-helix	trans	-57.9	-46.2	178.4	179.9	-125.1	0	0	0	113.4	I19 L34 L38 Y62 F137 F138 I139 I144 M145	I19-F141 HydrophobicContact CD1-CB 3.93Å; I19-F141 HydrophobicContact CD1-CD2 4.22Å; I19-F141 HydrophobicContact CG2-CD2 3.67Å; I19-F141 HydrophobicContact CG2-CE2 4.19Å; L34-F141 HydrophobicContact CD2-CD1 4.36Å; L34-F141 HydrophobicContact CD2-CD2 4.09Å; L34-F141 HydrophobicContact CD2-CE1 3.83Å; L34-F141 HydrophobicContact CD2-CE2 3.53Å; L34-F141 HydrophobicContact CD2-CG 4.46Å; L34-F141 HydrophobicContact CD2-CZ 3.37Å; L34-F141 HydrophobicContact CG-CE1 4.04Å; L34-F141 HydrophobicContact CG-CZ 4.03Å; L38-F141 HydrophobicContact CD2-CD1 4.28Å; L38-F141 HydrophobicContact CD2-CE1 4.19Å; Y62-F141 WeakPolarHBondContact OH-CE1 3.31Å; Y62-F141 WeakPolarHBondContact OH-CZ 3.49Å; F137-F141 WeakPolarHBondContact O-CB 3.28Å; F137-F141 PolarHBondContact O-N 2.99Å; F138-F141 HydrophobicContact CD1-CD1 4.32Å; F138-F141 PolarHBondContact O-N 2.75Å; I139-F141 VanDerWaalsContact C-N 3.34Å; I139-F141 PolarHBondContact O-N 2.85Å; F141-I144 PolarHBondContact O-N 3.41Å; F141-M145 HydrophobicContact CD1-SD 4.17Å; F141-M145 HydrophobicContact CE1-SD 3.67Å; F141-M145 HydrophobicContact CE2-CG 4.27Å; F141-M145 HydrophobicContact CE2-SD 4.21Å; F141-M145 HydrophobicContact CZ-CG 4.34Å; F141-M145 HydrophobicContact CZ-SD 3.7Å; F141-M145 WeakPolarHBondContact O-CG 3.27Å; F141-M145 PolarHBondContact O-N 3.41Å
142	M	93.2	Very high	94.5	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-66.6	-37.9	177.5	-70.7	-76.3	-74.9	0	0	111.7	L38 D59 L61 F138 I139 L140 M145 Y146 F245 F246	L38-M142 HydrophobicContact CD1-CG 4.37Å; L38-M142 HydrophobicContact CD2-CG 4.44Å; L38-M142 HydrophobicContact CD2-SD 3.78Å; D59-M142 VanDerWaalsContact O-CE 3.32Å; D59-M142 WeakPolarHBondContact O-CE 3.47Å; L61-M142 HydrophobicContact CB-CE 3.96Å; L61-M142 HydrophobicContact CB-SD 4.21Å; L61-M142 HydrophobicContact CD1-CE 3.91Å; L61-M142 HydrophobicContact CD1-SD 4.33Å; L61-M142 HydrophobicContact CG-CE 3.55Å; L61-M142 HydrophobicContact CG-SD 4.3Å; F138-M142 WeakPolarHBondContact O-CB 3.17Å; F138-M142 WeakPolarHBondContact O-CG 3.44Å; F138-M142 PolarHBondContact O-N 2.78Å; I139-M142 PolarHBondContact O-N 2.68Å; L140-M142 PolarHBondContact O-N 3.19Å; M142-M145 PolarHBondContact O-N 3.26Å; M142-M145 HydrophobicContact SD-SD 4.36Å; M142-Y146 WeakPolarHBondContact O-CB 3.48Å; M142-Y146 PolarHBondContact O-N 3.2Å; M142-F245 HydrophobicContact CB-CD1 4.29Å; M142-F245 HydrophobicContact CB-CD2 3.42Å; M142-F245 VanDerWaalsContact CB-CD2 3.42Å; M142-F245 HydrophobicContact CB-CE1 4.25Å; M142-F245 HydrophobicContact CB-CE2 3.34Å; M142-F245 HydrophobicContact CB-CG 3.91Å; M142-F245 HydrophobicContact CB-CZ 3.78Å; M142-F245 HydrophobicContact CE-CD1 3.87Å; M142-F245 HydrophobicContact CE-CE1 4.26Å; M142-F245 HydrophobicContact CE-CG 4.16Å; M142-F245 HydrophobicContact CG-CD2 4.41Å; M142-F246 HydrophobicContact CE-CE1 4.14Å
143	N	92.9	Very high	94.5	Very high	21 Å²	21	44.6 Å²	44.6	11%	0.112	20%	0.197	C	C	.	.	H	α-helix	trans	-63.7	-39.8	173.1	-81	-68	0	0	0	111.8	I139 L140 S147 R243 F245	I139-N143 WeakPolarHBondContact CG2-ND2 3.39Å; I139-N143 WeakPolarHBondContact O-CB 3.29Å; I139-N143 PolarHBondContact O-N 2.85Å; I139-N143 PolarHBondContact O-ND2 2.93Å; L140-N143 WeakPolarHBondContact O-CB 3.26Å; L140-N143 PolarHBondContact O-N 3.31Å; N143-S147 WeakPolarHBondContact O-CB 3.08Å; N143-S147 PolarHBondContact O-N 3.45Å; N143-S147 PolarHBondContact O-OG 3.28Å; N143-R243 PolarHBondContact ND2-O 3.36Å; N143-R243 WeakPolarHBondContact OD1-CB 3.06Å; N143-R243 PolarHBondContact OD1-N 2.95Å; N143-F245 HydrophobicContact CB-CE2 4.31Å
144	I	94.1	Very high	94.5	Very high	7 Å²	7	46.3 Å²	46.3	4%	0.036	20%	0.203	C	C	.	.	H	α-helix	trans	-63.1	-45.8	173.8	-68.7	-54.2	0	0	0	110.9	F12 V15 E16 I19 L140 F141 S147 K148	F12-I144 HydrophobicContact CD2-CD1 3.29Å; F12-I144 HydrophobicContact CE2-CD1 3.26Å; F12-I144 HydrophobicContact CE2-CG1 4.47Å; V15-I144 HydrophobicContact CB-CD1 4.13Å; V15-I144 HydrophobicContact CG1-CD1 3.77Å; V15-I144 HydrophobicContact CG1-CG1 3.86Å; E16-I144 HydrophobicContact CB-CD1 4.19Å; E16-I144 HydrophobicContact CB-CG2 4.44Å; E16-I144 HydrophobicContact CG-CG2 3.87Å; I19-I144 HydrophobicContact CD1-CB 4.22Å; I19-I144 HydrophobicContact CD1-CG1 3.64Å; L140-I144 WeakPolarHBondContact O-CG1 3.46Å; L140-I144 PolarHBondContact O-N 3.11Å; F141-I144 PolarHBondContact O-N 3.41Å; I144-S147 PolarHBondContact O-N 2.93Å; I144-K148 HydrophobicContact CG2-CD 3.97Å; I144-K148 HydrophobicContact CG2-CG 4.35Å; I144-K148 WeakPolarHBondContact O-CB 3.49Å; I144-K148 VanDerWaalsContact O-CG 3.3Å; I144-K148 WeakPolarHBondContact O-CG 3.45Å; I144-K148 PolarHBondContact O-N 2.65Å
145	M	92.8	Very high	94.5	Very high	25 Å²	25	47.8 Å²	47.8	12%	0.123	21%	0.209	C	C	.	.	H	α-helix	trans	-58.4	-50.9	177.8	-74.8	178.2	50.1	0	0	111.5	L61 Y62 F141 M142 S147 K148 D149	L61-M145 HydrophobicContact CB-CE 3.92Å; L61-M145 WeakPolarHBondContact O-CE 3.38Å; Y62-M145 HydrophobicContact CD1-CE 3.45Å; Y62-M145 VanDerWaalsContact CD1-CE 3.45Å; Y62-M145 HydrophobicContact CD1-SD 4.5Å; Y62-M145 HydrophobicContact CE1-CE 3.12Å; Y62-M145 HydrophobicContact CE1-SD 3.63Å; Y62-M145 HydrophobicContact CE2-CE 4.42Å; Y62-M145 HydrophobicContact CG-CE 4.18Å; Y62-M145 PolarHBondContact OH-SD 3.46Å; F141-M145 HydrophobicContact CD1-SD 4.17Å; F141-M145 HydrophobicContact CE1-SD 3.67Å; F141-M145 HydrophobicContact CE2-CG 4.27Å; F141-M145 HydrophobicContact CE2-SD 4.21Å; F141-M145 HydrophobicContact CZ-CG 4.34Å; F141-M145 HydrophobicContact CZ-SD 3.7Å; F141-M145 WeakPolarHBondContact O-CG 3.27Å; F141-M145 PolarHBondContact O-N 3.41Å; M142-M145 PolarHBondContact O-N 3.26Å; M142-M145 HydrophobicContact SD-SD 4.36Å; M145-S147 VanDerWaalsContact C-N 3.3Å; M145-S147 PolarHBondContact O-N 3.08Å; M145-K148 PolarHBondContact O-N 3.1Å; M145-D149 PolarHBondContact O-N 3.07Å
146	Y	92.7	Very high	94.5	Very high	72 Å²	72	49.5 Å²	49.5	28%	0.282	22%	0.222	S	C	.	.	H	α-helix	trans	-56.2	-45.3	176.6	179.8	-91.5	0	0	0	112	M142 K148 D149 F150 I239 R243	M142-Y146 WeakPolarHBondContact O-CB 3.48Å; M142-Y146 PolarHBondContact O-N 3.2Å; Y146-K148 VanDerWaalsContact C-N 3.35Å; Y146-K148 PolarHBondContact O-N 3.11Å; Y146-D149 PolarHBondContact O-N 3.36Å; Y146-F150 PolarHBondContact O-N 3.03Å; Y146-I239 HydrophobicContact CD1-CD1 4.35Å; Y146-I239 HydrophobicContact CE1-CD1 4.23Å; Y146-R243 VanDerWaalsContact CE1-NE 3.31Å; Y146-R243 VanDerWaalsContact CZ-CZ 3.44Å; Y146-R243 PolarHBondContact OH-NH2 3.32Å
147	S	93.5	Very high	94.6	Very high	3 Å²	3	46 Å²	46	2%	0.021	21%	0.206	C	C	.	.	H	α-helix	trans	-67.2	-35.7	-178.5	-56.7	0	0	0	0	112.4	F12 N143 I144 M145 F150 L151	F12-S147 VanDerWaalsContact CE2-CB 3.45Å; F12-S147 VanDerWaalsContact CZ-CB 3.45Å; N143-S147 WeakPolarHBondContact O-CB 3.08Å; N143-S147 PolarHBondContact O-N 3.45Å; N143-S147 PolarHBondContact O-OG 3.28Å; I144-S147 PolarHBondContact O-N 2.93Å; M145-S147 VanDerWaalsContact C-N 3.3Å; M145-S147 PolarHBondContact O-N 3.08Å; S147-F150 PolarHBondContact O-N 2.77Å; S147-L151 WeakPolarHBondContact O-CG 3.17Å; S147-L151 PolarHBondContact O-N 3.07Å
148	K	94.6	Very high	94.6	Very high	71 Å²	71	48.9 Å²	48.9	31%	0.309	22%	0.223	S	C	.	.	H	α-helix	trans	-65	-41.8	173.9	-75.1	179	174.5	175.6	0	111.9	E16 I144 M145 Y146 L151 K152 F159	E16-K148 WeakPolarHBondContact OE1-CE 3.08Å; E16-K148 IonicContact OE1-NZ 3.94Å; E16-K148 PolarHBondContact OE1-NZ 3.35Å; I144-K148 HydrophobicContact CG2-CD 3.97Å; I144-K148 HydrophobicContact CG2-CG 4.35Å; I144-K148 WeakPolarHBondContact O-CB 3.49Å; I144-K148 VanDerWaalsContact O-CG 3.3Å; I144-K148 WeakPolarHBondContact O-CG 3.45Å; I144-K148 PolarHBondContact O-N 2.65Å; M145-K148 PolarHBondContact O-N 3.1Å; Y146-K148 VanDerWaalsContact C-N 3.35Å; Y146-K148 PolarHBondContact O-N 3.11Å; K148-L151 PolarHBondContact O-N 3.21Å; K148-K152 PolarHBondContact O-N 3.3Å; K148-K152 VanDerWaalsContact O-N 3.1Å; K148-F159 HydrophobicContact CD-CB 4.39Å; K148-F159 HydrophobicContact CG-CB 4.09Å
149	D	93.5	Very high	94.7	Very high	72 Å²	72	49.6 Å²	49.6	39%	0.385	23%	0.226	S	C	.	.	H	α-helix	trans	-65.1	-41.9	175.3	-77.8	-19	0	0	0	111.1	M145 Y146 L151 K152 Y153	M145-D149 PolarHBondContact O-N 3.07Å; Y146-D149 PolarHBondContact O-N 3.36Å; D149-L151 PolarHBondContact O-N 3.24Å; D149-K152 WeakPolarHBondContact O-CB 3.33Å; D149-K152 PolarHBondContact O-N 2.99Å; D149-Y153 HydrophobicContact CB-CD2 4.2Å; D149-Y153 HydrophobicContact CB-CE2 4.18Å; D149-Y153 WeakPolarHBondContact O-CD2 3.41Å; D149-Y153 PolarHBondContact O-N 3.39Å
150	F	94.4	Very high	94.8	Very high	45 Å²	45	48.4 Å²	48.4	20%	0.197	22%	0.221	C	C	.	.	H	α-helix	trans	-55.5	-49.7	173.3	175	-97.2	0	0	0	112	Y146 S147 K152 Y153 R154 F155 I239	Y146-F150 PolarHBondContact O-N 3.03Å; S147-F150 PolarHBondContact O-N 2.77Å; F150-K152 VanDerWaalsContact C-N 3.29Å; F150-K152 PolarHBondContact O-N 2.89Å; F150-Y153 PolarHBondContact O-N 3.46Å; F150-R154 HydrophobicContact CD2-CB 4.29Å; F150-R154 HydrophobicContact CE1-CB 4.34Å; F150-R154 HydrophobicContact CE1-CG 4.3Å; F150-R154 HydrophobicContact CE2-CB 4.05Å; F150-R154 HydrophobicContact CE2-CG 4.08Å; F150-R154 HydrophobicContact CZ-CB 4.09Å; F150-R154 HydrophobicContact CZ-CG 3.81Å; F150-R154 WeakPolarHBondContact O-CB 3.23Å; F150-R154 PolarHBondContact O-N 3.38Å; F150-F155 AromaticContact CE1-CE2 3.74Å; F150-F155 HydrophobicContact CE1-CE2 3.74Å; F150-F155 HydrophobicContact CE1-CZ 4.47Å; F150-F155 HydrophobicContact CZ-CE2 4.28Å; F150-I239 HydrophobicContact CB-CD1 3.6Å; F150-I239 HydrophobicContact CD1-CD1 3.51Å; F150-I239 HydrophobicContact CD1-CG1 3.84Å; F150-I239 HydrophobicContact CD1-CG2 4.44Å; F150-I239 HydrophobicContact CD2-CD1 4.34Å; F150-I239 HydrophobicContact CD2-CG2 4.03Å; F150-I239 HydrophobicContact CE1-CD1 4.24Å; F150-I239 HydrophobicContact CE1-CG1 4.06Å; F150-I239 HydrophobicContact CE1-CG2 4.2Å; F150-I239 HydrophobicContact CE2-CG2 3.77Å; F150-I239 HydrophobicContact CG-CD1 3.56Å; F150-I239 HydrophobicContact CG-CG1 4.16Å; F150-I239 HydrophobicContact CG-CG2 4.35Å; F150-I239 HydrophobicContact CZ-CG2 3.86Å
151	L	96.1	Very high	95	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-57.4	-43.2	177.4	-70.4	173	0	0	0	112.4	F12 S147 K148 D149 F155 N156 L157 L162 T236	F12-L151 HydrophobicContact CE1-CD1 4.05Å; F12-L151 HydrophobicContact CZ-CD1 4.44Å; S147-L151 WeakPolarHBondContact O-CG 3.17Å; S147-L151 PolarHBondContact O-N 3.07Å; K148-L151 PolarHBondContact O-N 3.21Å; D149-L151 PolarHBondContact O-N 3.24Å; L151-F155 HydrophobicContact CD2-CD2 4.14Å; L151-F155 PolarHBondContact O-N 2.89Å; L151-F155 VanDerWaalsContact O-N 3.08Å; L151-N156 PolarHBondContact O-N 3.28Å; L151-L157 CarbonylContact C-O 3.51Å; L151-L157 PolarHBondContact O-N 3.29Å; L151-L157 VanDerWaalsContact O-N 3.15Å; L151-L162 HydrophobicContact CD1-CB 4.14Å; L151-L162 HydrophobicContact CD1-CD2 3.92Å; L151-L162 HydrophobicContact CD2-CD1 4.16Å; L151-L162 HydrophobicContact CD2-CD2 4.28Å; L151-T236 HydrophobicContact CD2-CG2 4.17Å
152	K	95.6	Very high	95.1	Very high	108 Å²	108	45.8 Å²	45.8	47%	0.47	21%	0.207	S	C	.	.	H	α-helix	trans	-63.7	-49.9	179.5	180	-173.4	172.9	-168	0	111.3	K148 D149 F150 N156 L157	K148-K152 PolarHBondContact O-N 3.3Å; K148-K152 VanDerWaalsContact O-N 3.1Å; D149-K152 WeakPolarHBondContact O-CB 3.33Å; D149-K152 PolarHBondContact O-N 2.99Å; F150-K152 VanDerWaalsContact C-N 3.29Å; F150-K152 PolarHBondContact O-N 2.89Å; K152-N156 WeakPolarHBondContact O-CA 3.47Å; K152-N156 PolarHBondContact O-N 3.16Å; K152-L157 WeakPolarHBondContact CA-O 3.35Å; K152-L157 PolarHBondContact N-O 2.93Å
153	Y	95.4	Very high	95.2	Very high	172 Å²	172	45.9 Å²	45.9	68%	0.675	21%	0.208	S	C	*	.	H	α-helix	trans	-80.3	-33.7	-174	-69	-66.4	0	0	0	113	D149 F150	D149-Y153 HydrophobicContact CB-CD2 4.2Å; D149-Y153 HydrophobicContact CB-CE2 4.18Å; D149-Y153 WeakPolarHBondContact O-CD2 3.41Å; D149-Y153 PolarHBondContact O-N 3.39Å; F150-Y153 PolarHBondContact O-N 3.46Å
154	R	95.8	Very high	95.4	Very high	132 Å²	132	44.9 Å²	44.9	50%	0.498	20%	0.203	S	C	.	.	H	α-helix	trans	-81.4	-38.5	-177.8	-179	63.4	179.6	93.6	6.4	113.4	F150 D235	F150-R154 HydrophobicContact CD2-CB 4.29Å; F150-R154 HydrophobicContact CE1-CB 4.34Å; F150-R154 HydrophobicContact CE1-CG 4.3Å; F150-R154 HydrophobicContact CE2-CB 4.05Å; F150-R154 HydrophobicContact CE2-CG 4.08Å; F150-R154 HydrophobicContact CZ-CB 4.09Å; F150-R154 HydrophobicContact CZ-CG 3.81Å; F150-R154 WeakPolarHBondContact O-CB 3.23Å; F150-R154 PolarHBondContact O-N 3.38Å; R154-D235 IonicContact CZ-OD2 3.9Å; R154-D235 IonicContact NE-OD2 2.78Å; R154-D235 IonicContact NH2-OD2 2.75Å; R154-D235 PolarHBondContact NH2-OD2 3.35Å
155	F	95.3	Very high	95.5	Very high	31 Å²	31	44.6 Å²	44.6	14%	0.136	20%	0.201	C	C	.	.	H	α-helix	trans	-124	-4.8	-172.2	-55.7	-64	0	0	0	113.9	F150 L151 L157 I232 D235	F150-F155 AromaticContact CE1-CE2 3.74Å; F150-F155 HydrophobicContact CE1-CE2 3.74Å; F150-F155 HydrophobicContact CE1-CZ 4.47Å; F150-F155 HydrophobicContact CZ-CE2 4.28Å; L151-F155 HydrophobicContact CD2-CD2 4.14Å; L151-F155 PolarHBondContact O-N 2.89Å; L151-F155 VanDerWaalsContact O-N 3.08Å; F155-L157 HydrophobicContact CB-CB 4.19Å; F155-L157 HydrophobicContact CB-CD1 3.85Å; F155-L157 HydrophobicContact CB-CG 3.75Å; F155-L157 PolarHBondContact O-N 2.62Å; F155-I232 HydrophobicContact CD1-CG1 3.99Å; F155-I232 HydrophobicContact CD2-CG2 4.04Å; F155-I232 HydrophobicContact CE1-CG1 4.08Å; F155-I232 HydrophobicContact CE2-CG2 4.05Å; F155-I232 HydrophobicContact CG-CG1 4.36Å; F155-I232 HydrophobicContact CG-CG2 4.36Å; F155-I232 HydrophobicContact CZ-CG2 4.4Å; F155-D235 HydrophobicContact CE2-CB 4.37Å; F155-D235 HydrophobicContact CZ-CB 3.63Å
156	N	96.3	Very high	95.7	Very high	111 Å²	111	45 Å²	45	59%	0.594	20%	0.202	S	C	*	.	S	Bend	trans	55.2	38.5	-169.7	-172.4	24.2	0	0	0	111.5	L151 K152 K202	L151-N156 PolarHBondContact O-N 3.28Å; K152-N156 WeakPolarHBondContact O-CA 3.47Å; K152-N156 PolarHBondContact O-N 3.16Å; N156-K202 PolarHBondContact ND2-NZ 3.24Å; N156-K202 VanDerWaalsContact ND2-NZ 3.19Å; N156-K202 PolarHBondContact O-NZ 2.97Å
157	L	97	Very high	95.8	Very high	1 Å²	1	42.2 Å²	42.2	1%	0.005	19%	0.192	C	C	.	.			trans	-113.7	144.9	-179.7	-66.1	-178.4	0	0	0	111.1	L151 K152 F155 D161 L165 L199 K202 M204 I232	L151-L157 CarbonylContact C-O 3.51Å; L151-L157 PolarHBondContact O-N 3.29Å; L151-L157 VanDerWaalsContact O-N 3.15Å; K152-L157 WeakPolarHBondContact CA-O 3.35Å; K152-L157 PolarHBondContact N-O 2.93Å; F155-L157 HydrophobicContact CB-CB 4.19Å; F155-L157 HydrophobicContact CB-CD1 3.85Å; F155-L157 HydrophobicContact CB-CG 3.75Å; F155-L157 PolarHBondContact O-N 2.62Å; L157-D161 HydrophobicContact CB-CB 4.13Å; L157-D161 HydrophobicContact CD2-CB 3.94Å; L157-D161 HydrophobicContact CG-CB 4.48Å; L157-L165 HydrophobicContact CD1-CD1 4.15Å; L157-L199 HydrophobicContact CD2-CD2 3.98Å; L157-K202 HydrophobicContact CD2-CD 4.31Å; L157-M204 HydrophobicContact CD1-CE 4.29Å; L157-M204 HydrophobicContact CD1-SD 4.15Å; L157-M204 HydrophobicContact CD2-CE 4.16Å; L157-M204 HydrophobicContact CD2-SD 3.79Å; L157-I232 HydrophobicContact CD1-CD1 3.95Å; L157-I232 HydrophobicContact CD1-CG2 4.27Å
158	T	96.7	Very high	95.8	Very high	60 Å²	60	42.1 Å²	42.1	37%	0.368	19%	0.192	S	C	.	.			trans	-85.6	164	167.5	67.4	0	0	0	0	110.2	L160 D161 L162 R198	T158-L160 VanDerWaalsContact C-N 3.25Å; T158-L160 PolarHBondContact O-N 3.43Å; T158-D161 WeakPolarHBondContact CB-OD2 3.47Å; T158-D161 PolarHBondContact N-OD2 3.25Å; T158-D161 WeakPolarHBondContact O-CB 3.48Å; T158-D161 PolarHBondContact O-N 2.6Å; T158-D161 VanDerWaalsContact O-N 3.12Å; T158-D161 PolarHBondContact OG1-N 2.96Å; T158-D161 PolarHBondContact OG1-OD2 3.14Å; T158-L162 PolarHBondContact O-N 2.6Å; T158-L162 VanDerWaalsContact O-N 3.17Å; T158-R198 PolarHBondContact OG1-NH2 2.76Å; T158-R198 VanDerWaalsContact OG1-NH2 3.1Å
159	F	96	Very high	95.8	Very high	14 Å²	14	39 Å²	39	6%	0.061	18%	0.179	C	C	.	.	H	α-helix	trans	-62.1	-33.3	173.3	176.5	-91	0	0	0	113.1	F12 I13 E16 K148 D161 L162 S163 F187	F12-F159 HydrophobicContact CD1-CD2 4.4Å; F12-F159 AromaticContact CD1-CE2 3.99Å; F12-F159 HydrophobicContact CD1-CE2 3.99Å; F12-F159 AromaticContact CE1-CD2 3.61Å; F12-F159 HydrophobicContact CE1-CD2 3.61Å; F12-F159 AromaticContact CE1-CE2 3.64Å; F12-F159 HydrophobicContact CE1-CE2 3.64Å; F12-F159 HydrophobicContact CE2-CD2 4.4Å; F12-F159 HydrophobicContact CE2-CE2 4.24Å; F12-F159 HydrophobicContact CG-CE2 4.42Å; F12-F159 AromaticContact CZ-CD2 3.61Å; F12-F159 HydrophobicContact CZ-CD2 3.61Å; F12-F159 AromaticContact CZ-CE2 3.78Å; F12-F159 HydrophobicContact CZ-CE2 3.78Å; I13-F159 HydrophobicContact CB-CZ 4.37Å; I13-F159 HydrophobicContact CG1-CE2 4.38Å; I13-F159 HydrophobicContact CG1-CZ 4.17Å; I13-F159 HydrophobicContact CG2-CZ 4.49Å; E16-F159 HydrophobicContact CB-CD2 4.42Å; E16-F159 HydrophobicContact CB-CE1 3.77Å; E16-F159 HydrophobicContact CB-CE2 3.57Å; E16-F159 HydrophobicContact CB-CZ 3.2Å; E16-F159 HydrophobicContact CG-CD1 3.87Å; E16-F159 HydrophobicContact CG-CD2 4.05Å; E16-F159 HydrophobicContact CG-CE1 3.5Å; E16-F159 VanDerWaalsContact CG-CE1 3.5Å; E16-F159 HydrophobicContact CG-CE2 3.68Å; E16-F159 HydrophobicContact CG-CG 4.14Å; E16-F159 HydrophobicContact CG-CZ 3.4Å; E16-F159 WeakPolarHBondContact OE2-CE1 3.34Å; K148-F159 HydrophobicContact CD-CB 4.39Å; K148-F159 HydrophobicContact CG-CB 4.09Å; F159-D161 VanDerWaalsContact C-N 3.33Å; F159-L162 PolarHBondContact O-N 3.49Å; F159-S163 WeakPolarHBondContact CE1-OG 3.23Å; F159-S163 PolarHBondContact O-N 3.19Å; F159-S163 PolarHBondContact O-OG 3.5Å; F159-F187 HydrophobicContact CD1-CE2 4.2Å; F159-F187 AromaticContact CD1-CZ 3.88Å; F159-F187 HydrophobicContact CD1-CZ 3.88Å; F159-F187 HydrophobicContact CE1-CE2 4.19Å; F159-F187 HydrophobicContact CE1-CZ 4.19Å
160	L	96.6	Very high	95.7	Very high	16 Å²	16	38.4 Å²	38.4	8%	0.084	18%	0.18	C	C	.	.	H	α-helix	trans	-62.8	-41.3	172.7	170.2	59.4	0	0	0	111.2	T158 L162 S163 I164 F187 Q191 I192 S195	T158-L160 VanDerWaalsContact C-N 3.25Å; T158-L160 PolarHBondContact O-N 3.43Å; L160-L162 VanDerWaalsContact C-N 3.32Å; L160-L162 PolarHBondContact O-N 2.92Å; L160-S163 PolarHBondContact O-N 3.46Å; L160-I164 HydrophobicContact CD1-CD1 3.78Å; L160-I164 HydrophobicContact CD1-CG1 4.07Å; L160-I164 HydrophobicContact CG-CD1 3.99Å; L160-I164 PolarHBondContact O-N 3.14Å; L160-F187 HydrophobicContact CB-CD2 4.37Å; L160-F187 HydrophobicContact CB-CE1 4.33Å; L160-F187 HydrophobicContact CB-CE2 4.18Å; L160-F187 HydrophobicContact CB-CZ 4.18Å; L160-F187 HydrophobicContact CD1-CB 3.94Å; L160-F187 HydrophobicContact CD1-CD1 4.42Å; L160-F187 HydrophobicContact CD1-CD2 3.41Å; L160-F187 VanDerWaalsContact CD1-CD2 3.41Å; L160-F187 HydrophobicContact CD1-CE2 3.97Å; L160-F187 HydrophobicContact CD1-CG 3.68Å; L160-F187 HydrophobicContact CD2-CB 4.44Å; L160-F187 HydrophobicContact CD2-CD1 4.42Å; L160-F187 HydrophobicContact CD2-CG 4.31Å; L160-F187 HydrophobicContact CG-CD2 4.35Å; L160-F187 HydrophobicContact CG-CG 4.38Å; L160-Q191 HydrophobicContact CD2-CB 3.88Å; L160-Q191 WeakPolarHBondContact CD2-O 3.45Å; L160-I192 HydrophobicContact CD1-CG1 4.28Å; L160-S195 WeakPolarHBondContact CG-OG 3.31Å
161	D	97.3	Very high	95.5	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-57.5	-47.9	174.6	-63.9	-45.7	0	0	0	111	L157 T158 F159 S163 I164 L165 S195 R198 L199	L157-D161 HydrophobicContact CB-CB 4.13Å; L157-D161 HydrophobicContact CD2-CB 3.94Å; L157-D161 HydrophobicContact CG-CB 4.48Å; T158-D161 WeakPolarHBondContact CB-OD2 3.47Å; T158-D161 PolarHBondContact N-OD2 3.25Å; T158-D161 WeakPolarHBondContact O-CB 3.48Å; T158-D161 PolarHBondContact O-N 2.6Å; T158-D161 VanDerWaalsContact O-N 3.12Å; T158-D161 PolarHBondContact OG1-N 2.96Å; T158-D161 PolarHBondContact OG1-OD2 3.14Å; F159-D161 VanDerWaalsContact C-N 3.33Å; D161-S163 VanDerWaalsContact C-N 3.3Å; D161-S163 PolarHBondContact O-N 3.2Å; D161-I164 PolarHBondContact O-N 2.91Å; D161-L165 VanDerWaalsContact O-CG 3.3Å; D161-L165 WeakPolarHBondContact O-CG 3.49Å; D161-L165 PolarHBondContact O-N 3.12Å; D161-S195 PolarHBondContact OD1-OG 2.69Å; D161-R198 IonicContact OD1-CZ 3.85Å; D161-R198 IonicContact OD1-NE 3.83Å; D161-R198 PolarHBondContact OD1-NE 2.97Å; D161-R198 IonicContact OD1-NH2 2.76Å; D161-R198 PolarHBondContact OD1-NH2 2.99Å; D161-R198 IonicContact OD2-CZ 3.98Å; D161-R198 VanDerWaalsContact OD2-CZ 3.29Å; D161-R198 IonicContact OD2-NE 3.69Å; D161-R198 PolarHBondContact OD2-NE 2.99Å; D161-R198 IonicContact OD2-NH2 2.94Å; D161-R198 PolarHBondContact OD2-NH2 3.42Å; D161-L199 HydrophobicContact CB-CD1 4.29Å; D161-L199 HydrophobicContact CB-CD2 3.99Å; D161-L199 HydrophobicContact CB-CG 4.32Å
162	L	97	Very high	94.9	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-58.8	-42.6	177.2	-172.8	77.1	0	0	0	111.8	V9 F12 L151 T158 F159 L160 I164 L165 Y166 I232 F233 T236	V9-L162 HydrophobicContact CG1-CD2 4.22Å; V9-L162 HydrophobicContact CG1-CG 4.39Å; F12-L162 HydrophobicContact CD1-CD2 3.64Å; F12-L162 HydrophobicContact CE1-CD2 3.56Å; L151-L162 HydrophobicContact CD1-CB 4.14Å; L151-L162 HydrophobicContact CD1-CD2 3.92Å; L151-L162 HydrophobicContact CD2-CD1 4.16Å; L151-L162 HydrophobicContact CD2-CD2 4.28Å; T158-L162 PolarHBondContact O-N 2.6Å; T158-L162 VanDerWaalsContact O-N 3.17Å; F159-L162 PolarHBondContact O-N 3.49Å; L160-L162 VanDerWaalsContact C-N 3.32Å; L160-L162 PolarHBondContact O-N 2.92Å; L162-I164 PolarHBondContact O-N 3.02Å; L162-L165 PolarHBondContact O-N 3.4Å; L162-Y166 WeakPolarHBondContact O-CB 3.43Å; L162-Y166 PolarHBondContact O-N 3.48Å; L162-I232 HydrophobicContact CD1-CG2 4.11Å; L162-F233 HydrophobicContact CD1-CD1 3.83Å; L162-F233 HydrophobicContact CD1-CE1 3.52Å; L162-F233 HydrophobicContact CD1-CZ 4.49Å; L162-F233 HydrophobicContact CG-CE1 4.4Å; L162-T236 HydrophobicContact CD2-CG2 4.3Å
163	S	96.4	Very high	94.3	Very high	3 Å²	3	47.8 Å²	47.8	2%	0.021	23%	0.225	C	C	.	.	H	α-helix	trans	-62.4	-42.3	179.9	-55.6	0	0	0	0	111.7	F159 L160 D161 Y166 V167	F159-S163 WeakPolarHBondContact CE1-OG 3.23Å; F159-S163 PolarHBondContact O-N 3.19Å; F159-S163 PolarHBondContact O-OG 3.5Å; L160-S163 PolarHBondContact O-N 3.46Å; D161-S163 VanDerWaalsContact C-N 3.3Å; D161-S163 PolarHBondContact O-N 3.2Å; S163-Y166 WeakPolarHBondContact O-CB 3.42Å; S163-Y166 PolarHBondContact O-N 3.13Å; S163-V167 WeakPolarHBondContact O-CG2 3.42Å; S163-V167 PolarHBondContact O-N 2.87Å; S163-V167 VanDerWaalsContact O-N 3.11Å
164	I	96.6	Very high	94.1	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-64.6	-46.8	175.6	-72.4	163.6	0	0	0	110.8	L160 D161 L162 Y166 V167 I168 L181 I185 I192 S195 V196 L199 L205	L160-I164 HydrophobicContact CD1-CD1 3.78Å; L160-I164 HydrophobicContact CD1-CG1 4.07Å; L160-I164 HydrophobicContact CG-CD1 3.99Å; L160-I164 PolarHBondContact O-N 3.14Å; D161-I164 PolarHBondContact O-N 2.91Å; L162-I164 PolarHBondContact O-N 3.02Å; I164-Y166 PolarHBondContact O-N 2.81Å; I164-V167 PolarHBondContact O-N 3.27Å; I164-I168 HydrophobicContact CG2-CD1 3.5Å; I164-I168 VanDerWaalsContact CG2-CD1 3.5Å; I164-I168 HydrophobicContact CG2-CG1 4.33Å; I164-I168 VanDerWaalsContact O-CG1 3.3Å; I164-I168 WeakPolarHBondContact O-CG1 3.25Å; I164-I168 PolarHBondContact O-N 3.08Å; I164-L181 HydrophobicContact CG2-CD1 3.98Å; I164-I185 HydrophobicContact CB-CD1 4.33Å; I164-I185 HydrophobicContact CG1-CD1 3.54Å; I164-I192 HydrophobicContact CD1-CG2 4.16Å; I164-S195 VanDerWaalsContact CD1-CB 3.43Å; I164-V196 HydrophobicContact CD1-CG2 4.19Å; I164-V196 HydrophobicContact CG2-CG2 4.46Å; I164-L199 HydrophobicContact CB-CD1 4.06Å; I164-L199 HydrophobicContact CG2-CD1 3.74Å; I164-L205 HydrophobicContact CG2-CD2 4.29Å
165	L	96.5	Very high	93.8	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-60.3	-34.2	177.1	-64.9	179	0	0	0	111.5	L157 D161 L162 S169 L199 M204 I229 I232 F233	L157-L165 HydrophobicContact CD1-CD1 4.15Å; D161-L165 VanDerWaalsContact O-CG 3.3Å; D161-L165 WeakPolarHBondContact O-CG 3.49Å; D161-L165 PolarHBondContact O-N 3.12Å; L162-L165 PolarHBondContact O-N 3.4Å; L165-S169 WeakPolarHBondContact O-CB 3.39Å; L165-S169 PolarHBondContact O-N 3.41Å; L165-S169 PolarHBondContact O-OG 3.29Å; L165-L199 HydrophobicContact CD1-CD2 4.18Å; L165-L199 HydrophobicContact CD2-CD1 3.99Å; L165-L199 HydrophobicContact CD2-CD2 4.1Å; L165-L199 HydrophobicContact CG-CD1 4.17Å; L165-L199 HydrophobicContact CG-CD2 4.23Å; L165-M204 HydrophobicContact CD1-SD 4.33Å; L165-M204 HydrophobicContact CD2-CB 4.26Å; L165-I229 HydrophobicContact CB-CD1 4.44Å; L165-I229 HydrophobicContact CB-CG1 4.33Å; L165-I229 HydrophobicContact CB-CG2 4.24Å; L165-I229 HydrophobicContact CD1-CG1 4.38Å; L165-I229 HydrophobicContact CD2-CD1 3.91Å; L165-I229 HydrophobicContact CD2-CG1 3.97Å; L165-I229 HydrophobicContact CG-CG1 4.44Å; L165-I232 HydrophobicContact CD1-CD1 4.33Å; L165-F233 HydrophobicContact CB-CE1 4.14Å; L165-F233 HydrophobicContact CB-CZ 4.2Å
166	Y	96.1	Very high	93.7	Very high	33 Å²	33	41.4 Å²	41.4	13%	0.129	21%	0.21	C	C	.	.	H	α-helix	trans	-64.6	-52.5	176.8	176.2	-92.1	0	0	0	111	F6 V9 N10 I13 L162 S163 I164 I168 S169 S170 F233	F6-Y166 AromaticContact CD1-CE2 3.87Å; F6-Y166 HydrophobicContact CD1-CE2 3.87Å; F6-Y166 HydrophobicContact CD2-CD2 4.32Å; F6-Y166 AromaticContact CD2-CE2 3.97Å; F6-Y166 HydrophobicContact CD2-CE2 3.97Å; F6-Y166 HydrophobicContact CE1-CD2 4.43Å; F6-Y166 AromaticContact CE1-CE2 3.39Å; F6-Y166 HydrophobicContact CE1-CE2 3.39Å; F6-Y166 AromaticContact CE1-CZ 3.46Å; F6-Y166 VanDerWaalsContact CE1-CZ 3.46Å; F6-Y166 WeakPolarHBondContact CE1-OH 3.42Å; F6-Y166 AromaticContact CE2-CD2 3.75Å; F6-Y166 HydrophobicContact CE2-CD2 3.75Å; F6-Y166 AromaticContact CE2-CE2 3.49Å; F6-Y166 HydrophobicContact CE2-CE2 3.49Å; F6-Y166 VanDerWaalsContact CE2-CE2 3.49Å; F6-Y166 HydrophobicContact CG-CE2 4.14Å; F6-Y166 AromaticContact CZ-CD2 3.81Å; F6-Y166 HydrophobicContact CZ-CD2 3.81Å; F6-Y166 HydrophobicContact CZ-CE1 4.23Å; F6-Y166 AromaticContact CZ-CE2 3.16Å; F6-Y166 HydrophobicContact CZ-CE2 3.16Å; F6-Y166 AromaticContact CZ-CZ 3.39Å; V9-Y166 HydrophobicContact CB-CD2 4.41Å; V9-Y166 HydrophobicContact CG1-CD2 3.84Å; N10-Y166 HydrophobicContact CB-CE2 3.73Å; N10-Y166 WeakPolarHBondContact CB-OH 3.38Å; N10-Y166 PolarHBondContact ND2-OH 3.06Å; N10-Y166 PolarHBondContact OD1-OH 2.89Å; I13-Y166 VanDerWaalsContact CD1-CB 3.42Å; I13-Y166 HydrophobicContact CD1-CD1 3.7Å; I13-Y166 HydrophobicContact CD1-CD2 3.96Å; I13-Y166 HydrophobicContact CD1-CE1 4.49Å; I13-Y166 HydrophobicContact CD1-CG 3.41Å; I13-Y166 VanDerWaalsContact CD1-CG 3.41Å; L162-Y166 WeakPolarHBondContact O-CB 3.43Å; L162-Y166 PolarHBondContact O-N 3.48Å; S163-Y166 WeakPolarHBondContact O-CB 3.42Å; S163-Y166 PolarHBondContact O-N 3.13Å; I164-Y166 PolarHBondContact O-N 2.81Å; Y166-I168 PolarHBondContact O-N 3.36Å; Y166-S169 PolarHBondContact O-N 2.95Å; Y166-S169 PolarHBondContact O-OG 2.93Å; Y166-S170 WeakPolarHBondContact O-CB 3.49Å; Y166-S170 PolarHBondContact O-N 3.43Å; Y166-F233 AromaticContact CD2-CE2 3.93Å; Y166-F233 HydrophobicContact CD2-CE2 3.93Å; Y166-F233 HydrophobicContact CD2-CZ 4.45Å
167	V	94.7	Very high	93.5	Very high	14 Å²	14	39 Å²	39	9%	0.085	20%	0.197	C	C	.	.	H	α-helix	trans	-56.7	-49.5	178.2	175.2	0	0	0	0	111.1	S163 I164 S169 S170 R171 L176 L181 I185	S163-V167 WeakPolarHBondContact O-CG2 3.42Å; S163-V167 PolarHBondContact O-N 2.87Å; S163-V167 VanDerWaalsContact O-N 3.11Å; I164-V167 PolarHBondContact O-N 3.27Å; V167-S169 PolarHBondContact O-N 3.48Å; V167-S170 WeakPolarHBondContact O-CB 3.44Å; V167-S170 PolarHBondContact O-N 2.65Å; V167-S170 PolarHBondContact O-OG 2.71Å; V167-R171 PolarHBondContact O-N 3.36Å; V167-L176 HydrophobicContact CG1-CD1 4.14Å; V167-L181 HydrophobicContact CB-CD2 4.07Å; V167-L181 HydrophobicContact CG1-CD2 3.66Å; V167-I185 HydrophobicContact CG2-CD1 4.04Å; V167-I185 HydrophobicContact CG2-CG1 3.89Å
168	I	94.2	Very high	93.2	Very high	1 Å²	1	39.6 Å²	39.6	1%	0.005	20%	0.2	C	C	.	.	H	α-helix	trans	-65	-41.9	-178.2	-58.4	162.4	0	0	0	111.2	I164 Y166 S170 R171 K172 L176 L181 L205 I219 I221	I164-I168 HydrophobicContact CG2-CD1 3.5Å; I164-I168 VanDerWaalsContact CG2-CD1 3.5Å; I164-I168 HydrophobicContact CG2-CG1 4.33Å; I164-I168 VanDerWaalsContact O-CG1 3.3Å; I164-I168 WeakPolarHBondContact O-CG1 3.25Å; I164-I168 PolarHBondContact O-N 3.08Å; Y166-I168 PolarHBondContact O-N 3.36Å; I168-S170 VanDerWaalsContact C-N 3.29Å; I168-S170 PolarHBondContact O-N 2.7Å; I168-R171 CarbonylContact O-C 3.39Å; I168-R171 VanDerWaalsContact O-C 3.3Å; I168-R171 PolarHBondContact O-N 2.91Å; I168-K172 PolarHBondContact O-N 3.39Å; I168-L176 HydrophobicContact CB-CD1 4.43Å; I168-L176 HydrophobicContact CG1-CD1 4.05Å; I168-L181 HydrophobicContact CG1-CD2 4.07Å; I168-L205 HydrophobicContact CD1-CB 4.44Å; I168-L205 HydrophobicContact CD1-CD2 3.7Å; I168-I219 HydrophobicContact CD1-CG2 3.53Å; I168-I219 HydrophobicContact CG1-CG2 4.11Å; I168-I221 HydrophobicContact CG2-CB 4.31Å; I168-I221 HydrophobicContact CG2-CD1 3.98Å; I168-I221 HydrophobicContact CG2-CG1 3.84Å; I168-I221 HydrophobicContact CG2-CG2 3.67Å
169	S	93.7	Very high	92.8	Very high	7 Å²	7	43.2 Å²	43.2	5%	0.049	21%	0.211	C	C	.	.	H	α-helix	trans	-69.4	-25.9	179.4	70.2	0	0	0	0	113.9	L165 Y166 V167 R171	L165-S169 WeakPolarHBondContact O-CB 3.39Å; L165-S169 PolarHBondContact O-N 3.41Å; L165-S169 PolarHBondContact O-OG 3.29Å; Y166-S169 PolarHBondContact O-N 2.95Å; Y166-S169 PolarHBondContact O-OG 2.93Å; V167-S169 PolarHBondContact O-N 3.48Å; S169-R171 VanDerWaalsContact C-N 3.27Å
170	S	92.5	Very high	92.5	Very high	59 Å²	59	44.3 Å²	44.3	41%	0.413	22%	0.218	S	C	.	.	H	α-helix	trans	-68.6	-28.3	173.9	80.7	0	0	0	0	112.3	Y166 V167 I168	Y166-S170 WeakPolarHBondContact O-CB 3.49Å; Y166-S170 PolarHBondContact O-N 3.43Å; V167-S170 WeakPolarHBondContact O-CB 3.44Å; V167-S170 PolarHBondContact O-N 2.65Å; V167-S170 PolarHBondContact O-OG 2.71Å; I168-S170 VanDerWaalsContact C-N 3.29Å; I168-S170 PolarHBondContact O-N 2.7Å
171	R	90.1	Very high	92.2	Very high	91 Å²	91	43.6 Å²	43.6	34%	0.343	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-117.2	44.8	-178	-62.5	175.9	-170.8	-171.4	3.4	111	V167 I168 S169 N173 E174 L176	V167-R171 PolarHBondContact O-N 3.36Å; I168-R171 CarbonylContact O-C 3.39Å; I168-R171 VanDerWaalsContact O-C 3.3Å; I168-R171 PolarHBondContact O-N 2.91Å; S169-R171 VanDerWaalsContact C-N 3.27Å; R171-N173 PolarHBondContact O-N 3.09Å; R171-E174 HydrophobicContact CB-CB 4.1Å; R171-E174 HydrophobicContact CB-CG 4.24Å; R171-E174 WeakPolarHBondContact CD-OE2 3.39Å; R171-E174 PolarHBondContact O-N 3.27Å; R171-L176 HydrophobicContact CB-CD1 4.49Å; R171-L176 HydrophobicContact CB-CD2 4.25Å
172	K	82.3	Confident	91.8	Very high	111 Å²	111	48 Å²	48	48%	0.483	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.9	-23.3	-168.2	63.1	172.1	-174.3	-178.2	0	116.3	I168 I221 Y226	I168-K172 PolarHBondContact O-N 3.39Å; K172-I221 HydrophobicContact CB-CD1 4.48Å; K172-Y226 HydrophobicContact CB-CD2 4.22Å; K172-Y226 HydrophobicContact CB-CE2 4.21Å; K172-Y226 HydrophobicContact CD-CE2 4.34Å
173	N	83.7	Confident	91.4	Very high	147 Å²	147	54.4 Å²	54.4	79%	0.786	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.2	-2	-177.6	-65.3	-16.5	0	0	0	112.5	R171	R171-N173 PolarHBondContact O-N 3.09Å
174	E	90.5	Very high	90.9	Very high	106 Å²	106	56.7 Å²	56.7	50%	0.495	28%	0.279	S	S	.	.	S	Bend	trans	-97.4	144.7	-179.6	-62.9	171.8	-143.7	0	0	109.9	R171 L176	R171-E174 HydrophobicContact CB-CB 4.1Å; R171-E174 HydrophobicContact CB-CG 4.24Å; R171-E174 WeakPolarHBondContact CD-OE2 3.39Å; R171-E174 PolarHBondContact O-N 3.27Å; E174-L176 HydrophobicContact CB-CD2 4.08Å
175	I	91	Very high	90.6	Very high	94 Å²	94	57.5 Å²	57.5	48%	0.482	28%	0.283	S	S	.	.			trans	-90.9	112.6	165.4	-59.3	174.8	0	0	0	105.7	L218 K220	I175-L218 HydrophobicContact CG2-CB 3.72Å; I175-L218 HydrophobicContact CG2-CD1 4.17Å; I175-L218 HydrophobicContact CG2-CD2 3.87Å; I175-L218 HydrophobicContact CG2-CG 4.12Å; I175-K220 HydrophobicContact CG1-CB 4.44Å; I175-K220 HydrophobicContact CG1-CD 4.46Å
176	L	92.9	Very high	90.3	Very high	1 Å²	1	60.5 Å²	60.5	1%	0.005	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	142.9	-178	-60.2	-179.1	0	0	0	110.7	V167 I168 R171 E174 L181 L218 I219	V167-L176 HydrophobicContact CG1-CD1 4.14Å; I168-L176 HydrophobicContact CB-CD1 4.43Å; I168-L176 HydrophobicContact CG1-CD1 4.05Å; R171-L176 HydrophobicContact CB-CD1 4.49Å; R171-L176 HydrophobicContact CB-CD2 4.25Å; E174-L176 HydrophobicContact CB-CD2 4.08Å; L176-L181 HydrophobicContact CD1-CD2 4.07Å; L176-L218 CarbonylContact O-C 3.3Å; L176-I219 PolarHBondContact N-O 3.49Å; L176-I219 PolarHBondContact O-N 3.12Å
177	N	92.3	Very high	90.1	Very high	62 Å²	62	60.3 Å²	60.3	33%	0.332	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	152.1	168.5	-45.5	-30.7	0	0	0	108.4	K179 D180 L181	N177-K179 PolarHBondContact O-N 3.47Å; N177-K179 VanDerWaalsContact O-N 3.15Å; N177-D180 WeakPolarHBondContact CB-OD2 3.39Å; N177-D180 PolarHBondContact N-OD2 2.88Å; N177-D180 PolarHBondContact ND2-OD1 3.35Å; N177-D180 PolarHBondContact ND2-OD2 3.26Å; N177-D180 WeakPolarHBondContact O-CB 3.44Å; N177-D180 PolarHBondContact O-N 2.91Å; N177-L181 PolarHBondContact O-N 3.47Å
178	L	90.4	Very high	90	Very high	12 Å²	12	65.4 Å²	65.4	6%	0.063	32%	0.319	C	S	.	.	H	α-helix	trans	-57.5	-30	171.7	-177.2	65.6	0	0	0	112.6	D180 L181 F182 Y189 I192 V193 V196 V217 I219	L178-D180 VanDerWaalsContact C-N 3.34Å; L178-L181 PolarHBondContact O-N 3.07Å; L178-F182 PolarHBondContact O-N 3.32Å; L178-Y189 HydrophobicContact CD2-CE2 3.78Å; L178-Y189 VanDerWaalsContact CD2-OH 3.23Å; L178-Y189 WeakPolarHBondContact CD2-OH 3.34Å; L178-Y189 HydrophobicContact CG-CE2 3.94Å; L178-I192 HydrophobicContact CD1-CG2 3.95Å; L178-V193 HydrophobicContact CD2-CG2 3.7Å; L178-V196 HydrophobicContact CD1-CG2 4.01Å; L178-V217 HydrophobicContact CB-CB 4.15Å; L178-V217 HydrophobicContact CB-CG1 4.49Å; L178-V217 PolarHBondContact N-O 3.41Å; L178-I219 HydrophobicContact CB-CD1 4.33Å; L178-I219 HydrophobicContact CD1-CD1 3.94Å
179	K	88.2	Confident	89.9	Confident	136 Å²	136	70.8 Å²	70.8	59%	0.591	34%	0.34	S	S	*	.	H	α-helix	trans	-62.9	-39.1	174.4	-168.5	-177.8	178.7	-161.6	0	111.9	N177 L181 F182 E183	N177-K179 PolarHBondContact O-N 3.47Å; N177-K179 VanDerWaalsContact O-N 3.15Å; K179-L181 VanDerWaalsContact C-N 3.28Å; K179-L181 PolarHBondContact O-N 2.95Å; K179-F182 WeakPolarHBondContact O-CA 3.09Å; K179-F182 WeakPolarHBondContact O-CB 3.48Å; K179-F182 PolarHBondContact O-N 2.98Å; K179-E183 WeakPolarHBondContact CE-OE1 3.49Å; K179-E183 IonicContact NZ-OE1 2.93Å; K179-E183 PolarHBondContact O-N 3.43Å
180	D	89.3	Confident	90	Very high	38 Å²	38	74.2 Å²	74.2	20%	0.203	36%	0.361	C	S	.	.	H	α-helix	trans	-65.3	-34.1	180	-47.9	-20.6	0	0	0	111.3	N177 L178 S184	N177-D180 WeakPolarHBondContact CB-OD2 3.39Å; N177-D180 PolarHBondContact N-OD2 2.88Å; N177-D180 PolarHBondContact ND2-OD1 3.35Å; N177-D180 PolarHBondContact ND2-OD2 3.26Å; N177-D180 WeakPolarHBondContact O-CB 3.44Å; N177-D180 PolarHBondContact O-N 2.91Å; L178-D180 VanDerWaalsContact C-N 3.34Å; D180-S184 WeakPolarHBondContact O-CB 3.49Å; D180-S184 PolarHBondContact O-N 2.96Å; D180-S184 PolarHBondContact O-OG 3.15Å
181	L	89.9	Confident	90.1	Very high	0 Å²	0	74.3 Å²	74.3	0%	0	36%	0.355	C	S	.	.	H	α-helix	trans	-68.8	-35.8	172	-65	-172.9	0	0	0	112.4	I164 V167 I168 L176 N177 L178 K179 S184 I185 I192 V196 I219	I164-L181 HydrophobicContact CG2-CD1 3.98Å; V167-L181 HydrophobicContact CB-CD2 4.07Å; V167-L181 HydrophobicContact CG1-CD2 3.66Å; I168-L181 HydrophobicContact CG1-CD2 4.07Å; L176-L181 HydrophobicContact CD1-CD2 4.07Å; N177-L181 PolarHBondContact O-N 3.47Å; L178-L181 PolarHBondContact O-N 3.07Å; K179-L181 VanDerWaalsContact C-N 3.28Å; K179-L181 PolarHBondContact O-N 2.95Å; L181-S184 WeakPolarHBondContact CA-OG 3.44Å; L181-S184 PolarHBondContact O-N 3.17Å; L181-S184 PolarHBondContact O-OG 3.28Å; L181-I185 WeakPolarHBondContact O-CG1 3.47Å; L181-I185 PolarHBondContact O-N 3.49Å; L181-I192 HydrophobicContact CB-CG2 4.06Å; L181-I192 HydrophobicContact CD1-CG2 4.41Å; L181-V196 HydrophobicContact CD1-CG2 3.8Å; L181-I219 HydrophobicContact CD1-CD1 3.32Å; L181-I219 HydrophobicContact CG-CD1 4.18Å
182	F	89.7	Confident	90.4	Very high	94 Å²	94	70 Å²	70	41%	0.412	34%	0.339	S	S	.	.	H	α-helix	trans	-68.4	-38.3	178.3	176.4	-111.3	0	0	0	112.2	L178 K179 S184 Y189 I192	L178-F182 PolarHBondContact O-N 3.32Å; K179-F182 WeakPolarHBondContact O-CA 3.09Å; K179-F182 WeakPolarHBondContact O-CB 3.48Å; K179-F182 PolarHBondContact O-N 2.98Å; F182-S184 VanDerWaalsContact C-N 3.31Å; F182-S184 PolarHBondContact O-N 3.31Å; F182-Y189 HydrophobicContact CB-CD2 4.17Å; F182-Y189 HydrophobicContact CD2-CD2 4.26Å; F182-Y189 HydrophobicContact CG-CD2 4.13Å; F182-I192 HydrophobicContact CB-CD1 4.17Å; F182-I192 HydrophobicContact CD2-CD1 4.02Å
183	E	88.5	Confident	91	Very high	134 Å²	134	66.5 Å²	66.5	63%	0.626	33%	0.327	S	S	*	.	H	α-helix	trans	-72.5	-24.5	177.5	-68.9	175.3	-176.6	0	0	112.9	K179	K179-E183 WeakPolarHBondContact CE-OE1 3.49Å; K179-E183 IonicContact NZ-OE1 2.93Å; K179-E183 PolarHBondContact O-N 3.43Å
184	S	86.5	Confident	91.6	Very high	50 Å²	50	67.3 Å²	67.3	35%	0.35	32%	0.319	S	S	.	.	H	α-helix	trans	-95	-12.4	-175.5	52.7	0	0	0	0	115.1	D180 L181 F182	D180-S184 WeakPolarHBondContact O-CB 3.49Å; D180-S184 PolarHBondContact O-N 2.96Å; D180-S184 PolarHBondContact O-OG 3.15Å; L181-S184 WeakPolarHBondContact CA-OG 3.44Å; L181-S184 PolarHBondContact O-N 3.17Å; L181-S184 PolarHBondContact O-OG 3.28Å; F182-S184 VanDerWaalsContact C-N 3.31Å; F182-S184 PolarHBondContact O-N 3.31Å
185	I	89.5	Confident	91.9	Very high	17 Å²	17	62.3 Å²	62.3	9%	0.087	30%	0.296	C	S	.	.	S	Bend	trans	-132.7	135	-174.1	-40	174	0	0	0	110.7	I164 V167 L181 F187	I164-I185 HydrophobicContact CB-CD1 4.33Å; I164-I185 HydrophobicContact CG1-CD1 3.54Å; V167-I185 HydrophobicContact CG2-CD1 4.04Å; V167-I185 HydrophobicContact CG2-CG1 3.89Å; L181-I185 WeakPolarHBondContact O-CG1 3.47Å; L181-I185 PolarHBondContact O-N 3.49Å; I185-F187 HydrophobicContact CG2-CD2 3.55Å; I185-F187 HydrophobicContact CG2-CE2 4.06Å; I185-F187 PolarHBondContact O-N 3.48Å
186	R	89.9	Confident	92.2	Very high	63 Å²	63	57.9 Å²	57.9	24%	0.238	27%	0.273	C	S	.	.	S	Bend	trans	-61.7	2.2	-176.8	70.2	171.3	-165.8	75.3	-3.1	117.3	E16 F21	E16-R186 IonicContact OE1-CZ 3.46Å; E16-R186 IonicContact OE1-NH2 3.29Å; E16-R186 PolarHBondContact OE1-NH2 3.12Å; E16-R186 IonicContact OE2-CZ 3.73Å; E16-R186 IonicContact OE2-NE 3.85Å; E16-R186 PolarHBondContact OE2-NE 2.89Å; E16-R186 IonicContact OE2-NH2 2.78Å; E16-R186 PolarHBondContact OE2-NH2 3.19Å; F21-R186 HydrophobicContact CZ-CB 4.14Å
187	F	92.5	Very high	92.4	Very high	29 Å²	29	60.5 Å²	60.5	13%	0.127	29%	0.287	C	S	.	.	S	Bend	trans	-91.9	154	-174.2	-68.7	-89.7	0	0	0	111.3	F159 L160 I185 Q191 I192	F159-F187 HydrophobicContact CD1-CE2 4.2Å; F159-F187 AromaticContact CD1-CZ 3.88Å; F159-F187 HydrophobicContact CD1-CZ 3.88Å; F159-F187 HydrophobicContact CE1-CE2 4.19Å; F159-F187 HydrophobicContact CE1-CZ 4.19Å; L160-F187 HydrophobicContact CB-CD2 4.37Å; L160-F187 HydrophobicContact CB-CE1 4.33Å; L160-F187 HydrophobicContact CB-CE2 4.18Å; L160-F187 HydrophobicContact CB-CZ 4.18Å; L160-F187 HydrophobicContact CD1-CB 3.94Å; L160-F187 HydrophobicContact CD1-CD1 4.42Å; L160-F187 HydrophobicContact CD1-CD2 3.41Å; L160-F187 VanDerWaalsContact CD1-CD2 3.41Å; L160-F187 HydrophobicContact CD1-CE2 3.97Å; L160-F187 HydrophobicContact CD1-CG 3.68Å; L160-F187 HydrophobicContact CD2-CB 4.44Å; L160-F187 HydrophobicContact CD2-CD1 4.42Å; L160-F187 HydrophobicContact CD2-CG 4.31Å; L160-F187 HydrophobicContact CG-CD2 4.35Å; L160-F187 HydrophobicContact CG-CG 4.38Å; I185-F187 HydrophobicContact CG2-CD2 3.55Å; I185-F187 HydrophobicContact CG2-CE2 4.06Å; I185-F187 PolarHBondContact O-N 3.48Å; F187-Q191 HydrophobicContact CB-CB 4.44Å; F187-I192 HydrophobicContact CB-CG1 4.09Å
188	M	92.3	Very high	92.6	Very high	122 Å²	122	61.7 Å²	61.7	60%	0.601	29%	0.287	S	S	*	.			trans	-69.5	147.3	179.6	-60.3	-173.6	-65.1	0	0	110.9	P190 Q191 I192	M188-P190 VanDerWaalsContact C-CD 3.49Å; M188-P190 VanDerWaalsContact C-N 3.35Å; M188-Q191 HydrophobicContact CB-CG 4.41Å; M188-Q191 HydrophobicContact CE-CG 4.47Å; M188-Q191 WeakPolarHBondContact O-CA 3.49Å; M188-Q191 VanDerWaalsContact O-CB 3.31Å; M188-Q191 WeakPolarHBondContact O-CB 3.46Å; M188-Q191 PolarHBondContact O-N 3.43Å; M188-I192 PolarHBondContact O-N 2.76Å
189	Y	92.6	Very high	92.9	Very high	114 Å²	114	61.1 Å²	61.1	45%	0.447	28%	0.284	S	S	.	.	H	α-helix	trans	-47.9	-46.2	-178.9	-176.7	-94	0	0	0	114.1	L178 F182 Q191 I192 V193	L178-Y189 HydrophobicContact CD2-CE2 3.78Å; L178-Y189 VanDerWaalsContact CD2-OH 3.23Å; L178-Y189 WeakPolarHBondContact CD2-OH 3.34Å; L178-Y189 HydrophobicContact CG-CE2 3.94Å; F182-Y189 HydrophobicContact CB-CD2 4.17Å; F182-Y189 HydrophobicContact CD2-CD2 4.26Å; F182-Y189 HydrophobicContact CG-CD2 4.13Å; Y189-Q191 PolarHBondContact O-N 2.93Å; Y189-I192 PolarHBondContact O-N 3.23Å; Y189-I192 VanDerWaalsContact O-N 3.16Å; Y189-V193 HydrophobicContact CD1-CG2 3.92Å; Y189-V193 HydrophobicContact CE1-CG2 3.6Å; Y189-V193 HydrophobicContact CE2-CG2 4.44Å; Y189-V193 HydrophobicContact CG-CG2 4.48Å; Y189-V193 WeakPolarHBondContact O-CG2 3.4Å; Y189-V193 PolarHBondContact O-N 3.16Å
190	P	94.5	Very high	93.3	Very high	78 Å²	78	57.1 Å²	57.1	51%	0.506	27%	0.269	S	S	.	.	H	α-helix	trans	-64.7	-23.5	177.9	-22.5	35.1	0	0	0	114.6	M188 R194	M188-P190 VanDerWaalsContact C-CD 3.49Å; M188-P190 VanDerWaalsContact C-N 3.35Å; P190-R194 WeakPolarHBondContact O-CG 3.46Å; P190-R194 PolarHBondContact O-N 3.48Å; P190-R194 PolarHBondContact O-NE 3.42Å; P190-R194 VanDerWaalsContact O-NE 3.11Å
191	Q	95.5	Very high	93.7	Very high	61 Å²	61	61.8 Å²	61.8	29%	0.285	29%	0.294	S	S	.	.	H	α-helix	trans	-75.9	-44.7	174.9	-61.3	172.9	-47.3	0	0	110.1	L160 F187 M188 Y189 R194 S195	L160-Q191 HydrophobicContact CD2-CB 3.88Å; L160-Q191 WeakPolarHBondContact CD2-O 3.45Å; F187-Q191 HydrophobicContact CB-CB 4.44Å; M188-Q191 HydrophobicContact CB-CG 4.41Å; M188-Q191 HydrophobicContact CE-CG 4.47Å; M188-Q191 WeakPolarHBondContact O-CA 3.49Å; M188-Q191 VanDerWaalsContact O-CB 3.31Å; M188-Q191 WeakPolarHBondContact O-CB 3.46Å; M188-Q191 PolarHBondContact O-N 3.43Å; Y189-Q191 PolarHBondContact O-N 2.93Å; Q191-R194 PolarHBondContact O-N 2.75Å; Q191-S195 PolarHBondContact O-N 2.93Å
192	I	96	Very high	94	Very high	0 Å²	0	65.2 Å²	65.2	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-60.3	-49.5	178.1	-60.7	179.3	0	0	0	110.2	L160 I164 L178 L181 F182 F187 M188 Y189 R194 S195 V196	L160-I192 HydrophobicContact CD1-CG1 4.28Å; I164-I192 HydrophobicContact CD1-CG2 4.16Å; L178-I192 HydrophobicContact CD1-CG2 3.95Å; L181-I192 HydrophobicContact CB-CG2 4.06Å; L181-I192 HydrophobicContact CD1-CG2 4.41Å; F182-I192 HydrophobicContact CB-CD1 4.17Å; F182-I192 HydrophobicContact CD2-CD1 4.02Å; F187-I192 HydrophobicContact CB-CG1 4.09Å; M188-I192 PolarHBondContact O-N 2.76Å; Y189-I192 PolarHBondContact O-N 3.23Å; Y189-I192 VanDerWaalsContact O-N 3.16Å; I192-R194 VanDerWaalsContact C-N 3.33Å; I192-R194 PolarHBondContact O-N 2.87Å; I192-S195 WeakPolarHBondContact O-CB 3.35Å; I192-S195 PolarHBondContact O-N 2.87Å; I192-S195 VanDerWaalsContact O-N 3.08Å; I192-V196 HydrophobicContact CG2-CG2 4.17Å; I192-V196 WeakPolarHBondContact O-CG2 3.4Å; I192-V196 PolarHBondContact O-N 3.34Å
193	V	95.1	Very high	94.3	Very high	39 Å²	39	62.7 Å²	62.7	24%	0.236	31%	0.31	C	S	.	.	H	α-helix	trans	-52.3	-49.6	176.9	172.5	0	0	0	0	111.7	L178 Y189 S195 V196 N197	L178-V193 HydrophobicContact CD2-CG2 3.7Å; Y189-V193 HydrophobicContact CD1-CG2 3.92Å; Y189-V193 HydrophobicContact CE1-CG2 3.6Å; Y189-V193 HydrophobicContact CE2-CG2 4.44Å; Y189-V193 HydrophobicContact CG-CG2 4.48Å; Y189-V193 WeakPolarHBondContact O-CG2 3.4Å; Y189-V193 PolarHBondContact O-N 3.16Å; V193-S195 VanDerWaalsContact C-N 3.34Å; V193-S195 PolarHBondContact O-N 3.14Å; V193-V196 PolarHBondContact O-N 3.15Å; V193-N197 PolarHBondContact O-N 3.39Å; V193-N197 PolarHBondContact O-ND2 2.87Å
194	R	96.3	Very high	94.6	Very high	163 Å²	163	57.5 Å²	57.5	62%	0.615	29%	0.286	S	S	*	.	H	α-helix	trans	-62.9	-40.4	179.5	-75.3	-174.8	-69.4	165.5	-5.5	112.1	P190 Q191 I192 R198	P190-R194 WeakPolarHBondContact O-CG 3.46Å; P190-R194 PolarHBondContact O-N 3.48Å; P190-R194 PolarHBondContact O-NE 3.42Å; P190-R194 VanDerWaalsContact O-NE 3.11Å; Q191-R194 PolarHBondContact O-N 2.75Å; I192-R194 VanDerWaalsContact C-N 3.33Å; I192-R194 PolarHBondContact O-N 2.87Å; R194-R198 WeakPolarHBondContact O-CB 3.42Å; R194-R198 PolarHBondContact O-N 3.19Å; R194-R198 VanDerWaalsContact O-N 3.07Å
195	S	97	Very high	95.1	Very high	1 Å²	1	55.2 Å²	55.2	1%	0.007	27%	0.27	C	S	.	.	H	α-helix	trans	-65.3	-45.1	176.1	-122.7	0	0	0	0	112.1	L160 D161 I164 Q191 I192 V193 N197 R198 L199	L160-S195 WeakPolarHBondContact CG-OG 3.31Å; D161-S195 PolarHBondContact OD1-OG 2.69Å; I164-S195 VanDerWaalsContact CD1-CB 3.43Å; Q191-S195 PolarHBondContact O-N 2.93Å; I192-S195 WeakPolarHBondContact O-CB 3.35Å; I192-S195 PolarHBondContact O-N 2.87Å; I192-S195 VanDerWaalsContact O-N 3.08Å; V193-S195 VanDerWaalsContact C-N 3.34Å; V193-S195 PolarHBondContact O-N 3.14Å; S195-N197 PolarHBondContact O-N 3.3Å; S195-R198 PolarHBondContact O-N 3.25Å; S195-R198 PolarHBondContact OG-NH2 3.27Å; S195-L199 WeakPolarHBondContact O-CB 3.44Å; S195-L199 WeakPolarHBondContact O-CG 3.16Å; S195-L199 PolarHBondContact O-N 3.03Å
196	V	96.9	Very high	95.4	Very high	1 Å²	1	56.6 Å²	56.6	1%	0.006	28%	0.277	C	S	.	.	H	α-helix	trans	-60.3	-45.8	178	171	0	0	0	0	110.6	I164 L178 L181 I192 V193 R198 L199 N200 L205 K207 I219	I164-V196 HydrophobicContact CD1-CG2 4.19Å; I164-V196 HydrophobicContact CG2-CG2 4.46Å; L178-V196 HydrophobicContact CD1-CG2 4.01Å; L181-V196 HydrophobicContact CD1-CG2 3.8Å; I192-V196 HydrophobicContact CG2-CG2 4.17Å; I192-V196 WeakPolarHBondContact O-CG2 3.4Å; I192-V196 PolarHBondContact O-N 3.34Å; V193-V196 PolarHBondContact O-N 3.15Å; V196-R198 VanDerWaalsContact C-N 3.34Å; V196-R198 PolarHBondContact O-N 2.94Å; V196-L199 PolarHBondContact O-N 3.3Å; V196-N200 WeakPolarHBondContact O-CB 3.45Å; V196-N200 PolarHBondContact O-N 3.46Å; V196-L205 HydrophobicContact CG1-CD1 4.25Å; V196-K207 HydrophobicContact CG1-CB 4.36Å; V196-K207 HydrophobicContact CG1-CD 4.18Å; V196-K207 HydrophobicContact CG1-CG 4.16Å; V196-I219 HydrophobicContact CG1-CD1 3.76Å; V196-I219 HydrophobicContact CG1-CG1 4.19Å; V196-I219 HydrophobicContact CG2-CD1 3.9Å
197	N	96.8	Very high	95.7	Very high	56 Å²	56	57.3 Å²	57.3	30%	0.299	28%	0.282	S	S	.	.	H	α-helix	trans	-59.3	-44.7	175.5	-70.6	-21.4	0	0	0	111.8	V193 S195 N200 N201 K207	V193-N197 PolarHBondContact O-N 3.39Å; V193-N197 PolarHBondContact O-ND2 2.87Å; S195-N197 PolarHBondContact O-N 3.3Å; N197-N200 PolarHBondContact O-N 3.49Å; N197-N201 PolarHBondContact O-N 3.01Å; N197-N201 PolarHBondContact O-OD1 2.91Å; N197-K207 WeakPolarHBondContact OD1-CE 3.49Å; N197-K207 PolarHBondContact OD1-NZ 3.13Å
198	R	96.7	Very high	95.8	Very high	88 Å²	88	59.2 Å²	59.2	33%	0.332	29%	0.291	S	S	.	.	H	α-helix	trans	-62.6	-44.6	176.9	178.3	174.9	59.3	-131.4	-4.9	112	T158 D161 R194 S195 V196 N201 K202	T158-R198 PolarHBondContact OG1-NH2 2.76Å; T158-R198 VanDerWaalsContact OG1-NH2 3.1Å; D161-R198 IonicContact OD1-CZ 3.85Å; D161-R198 IonicContact OD1-NE 3.83Å; D161-R198 PolarHBondContact OD1-NE 2.97Å; D161-R198 IonicContact OD1-NH2 2.76Å; D161-R198 PolarHBondContact OD1-NH2 2.99Å; D161-R198 IonicContact OD2-CZ 3.98Å; D161-R198 VanDerWaalsContact OD2-CZ 3.29Å; D161-R198 IonicContact OD2-NE 3.69Å; D161-R198 PolarHBondContact OD2-NE 2.99Å; D161-R198 IonicContact OD2-NH2 2.94Å; D161-R198 PolarHBondContact OD2-NH2 3.42Å; R194-R198 WeakPolarHBondContact O-CB 3.42Å; R194-R198 PolarHBondContact O-N 3.19Å; R194-R198 VanDerWaalsContact O-N 3.07Å; S195-R198 PolarHBondContact O-N 3.25Å; S195-R198 PolarHBondContact OG-NH2 3.27Å; V196-R198 VanDerWaalsContact C-N 3.34Å; V196-R198 PolarHBondContact O-N 2.94Å; R198-N201 PolarHBondContact O-N 2.83Å; R198-K202 HydrophobicContact CG-CD 4.43Å; R198-K202 WeakPolarHBondContact O-CG 3.41Å; R198-K202 PolarHBondContact O-N 3.38Å
199	L	97.7	Very high	95.8	Very high	0 Å²	0	61.1 Å²	61.1	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-65.2	-38.6	179	-75.4	174.4	0	0	0	112	L157 D161 I164 L165 S195 V196 K202 G203 M204 L205	L157-L199 HydrophobicContact CD2-CD2 3.98Å; D161-L199 HydrophobicContact CB-CD1 4.29Å; D161-L199 HydrophobicContact CB-CD2 3.99Å; D161-L199 HydrophobicContact CB-CG 4.32Å; I164-L199 HydrophobicContact CB-CD1 4.06Å; I164-L199 HydrophobicContact CG2-CD1 3.74Å; L165-L199 HydrophobicContact CD1-CD2 4.18Å; L165-L199 HydrophobicContact CD2-CD1 3.99Å; L165-L199 HydrophobicContact CD2-CD2 4.1Å; L165-L199 HydrophobicContact CG-CD1 4.17Å; L165-L199 HydrophobicContact CG-CD2 4.23Å; S195-L199 WeakPolarHBondContact O-CB 3.44Å; S195-L199 WeakPolarHBondContact O-CG 3.16Å; S195-L199 PolarHBondContact O-N 3.03Å; V196-L199 PolarHBondContact O-N 3.3Å; L199-K202 PolarHBondContact O-N 3.33Å; L199-G203 PolarHBondContact O-N 2.96Å; L199-M204 HydrophobicContact CD2-CB 4.07Å; L199-M204 HydrophobicContact CD2-SD 3.71Å; L199-M204 PolarHBondContact O-N 3.31Å; L199-L205 HydrophobicContact CB-CD2 3.57Å; L199-L205 HydrophobicContact CB-CG 3.79Å; L199-L205 HydrophobicContact CD1-CD2 3.88Å; L199-L205 HydrophobicContact CG-CD2 4.39Å
200	N	97.2	Very high	95.8	Very high	52 Å²	52	56.7 Å²	56.7	28%	0.278	28%	0.277	S	S	.	.	H	α-helix	trans	-61.5	-48.1	172.7	-172.1	68	0	0	0	111.3	V196 N197 K202 G203 L205 K207	V196-N200 WeakPolarHBondContact O-CB 3.45Å; V196-N200 PolarHBondContact O-N 3.46Å; N197-N200 PolarHBondContact O-N 3.49Å; N200-K202 PolarHBondContact O-N 3.42Å; N200-G203 PolarHBondContact O-N 2.9Å; N200-L205 HydrophobicContact CB-CD1 3.73Å; N200-L205 PolarHBondContact OD1-O 3.26Å; N200-K207 HydrophobicContact CB-CB 3.99Å; N200-K207 PolarHBondContact OD1-N 3.25Å
201	N	96.5	Very high	95.7	Very high	136 Å²	136	61.8 Å²	61.8	73%	0.727	30%	0.299	S	S	*	.	H	α-helix	trans	-63	-25.3	177.7	-67.3	-0.9	0	0	0	112.8	N197 R198 G203	N197-N201 PolarHBondContact O-N 3.01Å; N197-N201 PolarHBondContact O-OD1 2.91Å; R198-N201 PolarHBondContact O-N 2.83Å; N201-G203 VanDerWaalsContact C-N 3.3Å
202	K	95.9	Very high	95.5	Very high	71 Å²	71	63.6 Å²	63.6	31%	0.309	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.4	0.3	173.3	-72.4	-175.7	172.5	-153.6	0	113.8	N156 L157 R198 L199 N200 M204	N156-K202 PolarHBondContact ND2-NZ 3.24Å; N156-K202 VanDerWaalsContact ND2-NZ 3.19Å; N156-K202 PolarHBondContact O-NZ 2.97Å; L157-K202 HydrophobicContact CD2-CD 4.31Å; R198-K202 HydrophobicContact CG-CD 4.43Å; R198-K202 WeakPolarHBondContact O-CG 3.41Å; R198-K202 PolarHBondContact O-N 3.38Å; L199-K202 PolarHBondContact O-N 3.33Å; N200-K202 PolarHBondContact O-N 3.42Å; K202-M204 HydrophobicContact CB-CG 4.05Å; K202-M204 HydrophobicContact CB-SD 4.31Å; K202-M204 HydrophobicContact CD-CE 4.46Å; K202-M204 HydrophobicContact CD-SD 4.46Å; K202-M204 PolarHBondContact O-N 3.43Å
203	G	95.7	Very high	95.2	Very high	42 Å²	42	65.7 Å²	65.7	43%	0.433	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.1	19.7	-176.6	0	0	0	0	0	114.2	L199 N200 N201 Q225	L199-G203 PolarHBondContact O-N 2.96Å; N200-G203 PolarHBondContact O-N 2.9Å; N201-G203 VanDerWaalsContact C-N 3.3Å; G203-Q225 VanDerWaalsContact O-CG 3.31Å; G203-Q225 WeakPolarHBondContact O-CG 3.34Å
204	M	95.8	Very high	94.9	Very high	24 Å²	24	70.6 Å²	70.6	12%	0.118	36%	0.356	C	S	.	.	S	Bend	trans	-89.3	-15	-177.5	-68.9	-176.3	174	0	0	113.6	L157 L165 L199 K202 Q225 I232	L157-M204 HydrophobicContact CD1-CE 4.29Å; L157-M204 HydrophobicContact CD1-SD 4.15Å; L157-M204 HydrophobicContact CD2-CE 4.16Å; L157-M204 HydrophobicContact CD2-SD 3.79Å; L165-M204 HydrophobicContact CD1-SD 4.33Å; L165-M204 HydrophobicContact CD2-CB 4.26Å; L199-M204 HydrophobicContact CD2-CB 4.07Å; L199-M204 HydrophobicContact CD2-SD 3.71Å; L199-M204 PolarHBondContact O-N 3.31Å; K202-M204 HydrophobicContact CB-CG 4.05Å; K202-M204 HydrophobicContact CB-SD 4.31Å; K202-M204 HydrophobicContact CD-CE 4.46Å; K202-M204 HydrophobicContact CD-SD 4.46Å; K202-M204 PolarHBondContact O-N 3.43Å; M204-Q225 WeakPolarHBondContact O-CB 3.49Å; M204-I232 HydrophobicContact CE-CD1 3.99Å; M204-I232 HydrophobicContact SD-CD1 4.29Å
205	L	96.5	Very high	94.5	Very high	3 Å²	3	72.6 Å²	72.6	2%	0.016	36%	0.364	C	S	.	.	S	Bend	trans	-149.6	169.1	170.5	60.5	77.5	0	0	0	109.1	I164 I168 V196 L199 N200 K207 I219 I221	I164-L205 HydrophobicContact CG2-CD2 4.29Å; I168-L205 HydrophobicContact CD1-CB 4.44Å; I168-L205 HydrophobicContact CD1-CD2 3.7Å; V196-L205 HydrophobicContact CG1-CD1 4.25Å; L199-L205 HydrophobicContact CB-CD2 3.57Å; L199-L205 HydrophobicContact CB-CG 3.79Å; L199-L205 HydrophobicContact CD1-CD2 3.88Å; L199-L205 HydrophobicContact CG-CD2 4.39Å; N200-L205 HydrophobicContact CB-CD1 3.73Å; N200-L205 PolarHBondContact OD1-O 3.26Å; L205-K207 HydrophobicContact CD1-CB 4Å; L205-I219 HydrophobicContact CD1-CG2 4.34Å; L205-I219 HydrophobicContact CD2-CG2 4.12Å; L205-I221 HydrophobicContact CB-CG2 4.15Å
206	I	95.8	Very high	94.2	Very high	46 Å²	46	75.6 Å²	75.6	24%	0.236	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	122.8	172.2	-59.2	166.5	0	0	0	107.3	I219 K220	I206-I219 WeakPolarHBondContact O-CA 3.5Å; I206-K220 HydrophobicContact CB-CG 3.87Å; I206-K220 HydrophobicContact CD1-CG 4.35Å; I206-K220 HydrophobicContact CG2-CG 4.18Å; I206-K220 PolarHBondContact N-O 2.92Å; I206-K220 PolarHBondContact O-N 3.19Å
207	K	95.4	Very high	94	Very high	77 Å²	77	76.9 Å²	76.9	34%	0.335	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	121.9	172.2	179.9	-154	167.8	-163.9	0	109	V196 N197 N200 L205 V217 L218	V196-K207 HydrophobicContact CG1-CB 4.36Å; V196-K207 HydrophobicContact CG1-CD 4.18Å; V196-K207 HydrophobicContact CG1-CG 4.16Å; N197-K207 WeakPolarHBondContact OD1-CE 3.49Å; N197-K207 PolarHBondContact OD1-NZ 3.13Å; N200-K207 HydrophobicContact CB-CB 3.99Å; N200-K207 PolarHBondContact OD1-N 3.25Å; L205-K207 HydrophobicContact CD1-CB 4Å; K207-V217 HydrophobicContact CD-CG1 4.24Å; K207-V217 HydrophobicContact CG-CG1 3.65Å; K207-L218 WeakPolarHBondContact CA-O 3.47Å
208	E	94.7	Very high	93.9	Very high	70 Å²	70	75.3 Å²	75.3	33%	0.327	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	169.2	177.1	65.7	-166.9	-169.7	0	0	110.7	L218 K220	E208-L218 HydrophobicContact CG-CB 3.89Å; E208-L218 HydrophobicContact CG-CD1 4.4Å; E208-L218 PolarHBondContact N-O 2.86Å; E208-L218 PolarHBondContact O-N 2.92Å; E208-K220 WeakPolarHBondContact OE1-CE 3.42Å; E208-K220 IonicContact OE1-NZ 2.65Å; E208-K220 PolarHBondContact OE1-NZ 2.95Å; E208-K220 WeakPolarHBondContact OE2-CE 3.49Å; E208-K220 IonicContact OE2-NZ 2.84Å; E208-K220 PolarHBondContact OE2-NZ 3.05Å
209	R	93.8	Very high	93.9	Very high	162 Å²	162	71.1 Å²	71.1	61%	0.611	36%	0.363	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.3	146.6	168.3	-73	-177.6	177.6	-119	10.2	108.8	E214 I216	R209-E214 VanDerWaalsContact CD-O 3.27Å; R209-E214 WeakPolarHBondContact CD-O 3.39Å; R209-E214 PolarHBondContact NH1-O 2.98Å; R209-I216 WeakPolarHBondContact CA-O 3.45Å
210	S	92.7	Very high	93.7	Very high	21 Å²	21	73.9 Å²	73.9	15%	0.147	38%	0.375	C	S	.	.			trans	-64.9	137.5	172.4	176.9	0	0	0	0	110.2	A212 D213 E214 I216	S210-A212 VanDerWaalsContact C-N 3.26Å; S210-A212 PolarHBondContact OG-N 3.25Å; S210-D213 WeakPolarHBondContact CB-O 3.45Å; S210-D213 CarbonylContact O-C 3.33Å; S210-D213 PolarHBondContact OG-N 2.98Å; S210-E214 PolarHBondContact O-N 3.27Å; S210-I216 PolarHBondContact N-O 3.06Å
211	L	91.4	Very high	93.7	Very high	184 Å²	184	72.4 Å²	72.4	96%	0.963	37%	0.366	S	S	*	.	S	Bend	trans	-70.6	-24	173.4	-64.3	175.9	0	0	0	112.3
212	A	91.3	Very high	93.5	Very high	100 Å²	100	69.3 Å²	69.3	83%	0.826	35%	0.35	S	S	*	.	S	Bend	trans	-85.7	-30.8	179.9	0	0	0	0	0	113	S210	S210-A212 VanDerWaalsContact C-N 3.26Å; S210-A212 PolarHBondContact OG-N 3.25Å
213	D	90.3	Very high	93.4	Very high	44 Å²	44	74 Å²	74	24%	0.235	37%	0.37	C	S	.	.			trans	-148.5	103.9	174.1	-175.6	-16.8	0	0	0	109.2	S210 R215 I216	S210-D213 WeakPolarHBondContact CB-O 3.45Å; S210-D213 CarbonylContact O-C 3.33Å; S210-D213 PolarHBondContact OG-N 2.98Å; D213-R215 PolarHBondContact O-N 2.83Å; D213-R215 WeakPolarHBondContact OD1-CB 3.27Å; D213-R215 WeakPolarHBondContact OD1-CG 3.42Å; D213-R215 IonicContact OD1-CZ 3.83Å; D213-R215 PolarHBondContact OD1-N 2.94Å; D213-R215 IonicContact OD1-NE 3.54Å; D213-R215 PolarHBondContact OD1-NE 2.83Å; D213-R215 IonicContact OD1-NH2 2.76Å; D213-R215 IonicContact OD2-CZ 2.85Å; D213-R215 IonicContact OD2-NE 2.6Å; D213-R215 PolarHBondContact OD2-NE 2.93Å; D213-R215 IonicContact OD2-NH2 2.68Å; D213-R215 PolarHBondContact OD2-NH2 3.26Å; D213-I216 HydrophobicContact CB-CD1 3.9Å; D213-I216 HydrophobicContact CB-CG1 4.03Å; D213-I216 WeakPolarHBondContact O-CB 3.43Å; D213-I216 PolarHBondContact O-N 2.93Å
214	E	88.7	Confident	93.3	Very high	141 Å²	141	77.6 Å²	77.6	66%	0.659	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-16.3	-176.5	-64.4	-168.7	162	0	0	113.6	R209 S210 I216	R209-E214 VanDerWaalsContact CD-O 3.27Å; R209-E214 WeakPolarHBondContact CD-O 3.39Å; R209-E214 PolarHBondContact NH1-O 2.98Å; S210-E214 PolarHBondContact O-N 3.27Å; E214-I216 PolarHBondContact O-N 2.89Å
215	R	88	Confident	93.3	Very high	206 Å²	206	77.5 Å²	77.5	78%	0.777	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.6	-20.2	176.1	-57.3	174.3	-65.3	178.2	2.5	112	D213	D213-R215 PolarHBondContact O-N 2.83Å; D213-R215 WeakPolarHBondContact OD1-CB 3.27Å; D213-R215 WeakPolarHBondContact OD1-CG 3.42Å; D213-R215 IonicContact OD1-CZ 3.83Å; D213-R215 PolarHBondContact OD1-N 2.94Å; D213-R215 IonicContact OD1-NE 3.54Å; D213-R215 PolarHBondContact OD1-NE 2.83Å; D213-R215 IonicContact OD1-NH2 2.76Å; D213-R215 IonicContact OD2-CZ 2.85Å; D213-R215 IonicContact OD2-NE 2.6Å; D213-R215 PolarHBondContact OD2-NE 2.93Å; D213-R215 IonicContact OD2-NH2 2.68Å; D213-R215 PolarHBondContact OD2-NH2 3.26Å
216	I	90.5	Very high	93.2	Very high	64 Å²	64	79.7 Å²	79.7	33%	0.328	39%	0.386	S	S	.	.	P	Polyproline II helix	trans	-86.2	121	-179.9	-56.7	179.3	0	0	0	109.3	R209 S210 D213 E214 L218	R209-I216 WeakPolarHBondContact CA-O 3.45Å; S210-I216 PolarHBondContact N-O 3.06Å; D213-I216 HydrophobicContact CB-CD1 3.9Å; D213-I216 HydrophobicContact CB-CG1 4.03Å; D213-I216 WeakPolarHBondContact O-CB 3.43Å; D213-I216 PolarHBondContact O-N 2.93Å; E214-I216 PolarHBondContact O-N 2.89Å; I216-L218 HydrophobicContact CG2-CD2 3.7Å; I216-L218 HydrophobicContact CG2-CG 4.43Å
217	V	93.1	Very high	93.2	Very high	27 Å²	27	81.6 Å²	81.6	16%	0.164	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	117.1	172.4	178.8	0	0	0	0	108.9	L178 K207	L178-V217 HydrophobicContact CB-CB 4.15Å; L178-V217 HydrophobicContact CB-CG1 4.49Å; L178-V217 PolarHBondContact N-O 3.41Å; K207-V217 HydrophobicContact CD-CG1 4.24Å; K207-V217 HydrophobicContact CG-CG1 3.65Å
218	L	94.7	Very high	93.2	Very high	24 Å²	24	80.6 Å²	80.6	13%	0.126	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	140.1	179.5	-57.9	179	0	0	0	110.3	I175 L176 K207 E208 I216	I175-L218 HydrophobicContact CG2-CB 3.72Å; I175-L218 HydrophobicContact CG2-CD1 4.17Å; I175-L218 HydrophobicContact CG2-CD2 3.87Å; I175-L218 HydrophobicContact CG2-CG 4.12Å; L176-L218 CarbonylContact O-C 3.3Å; K207-L218 WeakPolarHBondContact CA-O 3.47Å; E208-L218 HydrophobicContact CG-CB 3.89Å; E208-L218 HydrophobicContact CG-CD1 4.4Å; E208-L218 PolarHBondContact N-O 2.86Å; E208-L218 PolarHBondContact O-N 2.92Å; I216-L218 HydrophobicContact CG2-CD2 3.7Å; I216-L218 HydrophobicContact CG2-CG 4.43Å
219	I	95.6	Very high	93.2	Very high	0 Å²	0	77.3 Å²	77.3	0%	0	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	121.8	-176.5	-57.4	172.3	0	0	0	108.3	I168 L176 L178 L181 V196 L205 I206	I168-I219 HydrophobicContact CD1-CG2 3.53Å; I168-I219 HydrophobicContact CG1-CG2 4.11Å; L176-I219 PolarHBondContact N-O 3.49Å; L176-I219 PolarHBondContact O-N 3.12Å; L178-I219 HydrophobicContact CB-CD1 4.33Å; L178-I219 HydrophobicContact CD1-CD1 3.94Å; L181-I219 HydrophobicContact CD1-CD1 3.32Å; L181-I219 HydrophobicContact CG-CD1 4.18Å; V196-I219 HydrophobicContact CG1-CD1 3.76Å; V196-I219 HydrophobicContact CG1-CG1 4.19Å; V196-I219 HydrophobicContact CG2-CD1 3.9Å; L205-I219 HydrophobicContact CD1-CG2 4.34Å; L205-I219 HydrophobicContact CD2-CG2 4.12Å; I206-I219 WeakPolarHBondContact O-CA 3.5Å
220	K	94.6	Very high	93.3	Very high	58 Å²	58	73.7 Å²	73.7	25%	0.252	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	167.5	-179.2	67.1	-171.2	179.8	-163.4	0	111.8	I175 I206 E208	I175-K220 HydrophobicContact CG1-CB 4.44Å; I175-K220 HydrophobicContact CG1-CD 4.46Å; I206-K220 HydrophobicContact CB-CG 3.87Å; I206-K220 HydrophobicContact CD1-CG 4.35Å; I206-K220 HydrophobicContact CG2-CG 4.18Å; I206-K220 PolarHBondContact N-O 2.92Å; I206-K220 PolarHBondContact O-N 3.19Å; E208-K220 WeakPolarHBondContact OE1-CE 3.42Å; E208-K220 IonicContact OE1-NZ 2.65Å; E208-K220 PolarHBondContact OE1-NZ 2.95Å; E208-K220 WeakPolarHBondContact OE2-CE 3.49Å; E208-K220 IonicContact OE2-NZ 2.84Å; E208-K220 PolarHBondContact OE2-NZ 3.05Å
221	I	95.7	Very high	93.4	Very high	20 Å²	20	75.9 Å²	75.9	10%	0.103	39%	0.386	C	S	.	.			trans	-131.9	146.1	172	54.3	172.7	0	0	0	109.2	I168 K172 L205 Q225 Y226 I229	I168-I221 HydrophobicContact CG2-CB 4.31Å; I168-I221 HydrophobicContact CG2-CD1 3.98Å; I168-I221 HydrophobicContact CG2-CG1 3.84Å; I168-I221 HydrophobicContact CG2-CG2 3.67Å; K172-I221 HydrophobicContact CB-CD1 4.48Å; L205-I221 HydrophobicContact CB-CG2 4.15Å; I221-Q225 HydrophobicContact CB-CB 3.87Å; I221-Q225 HydrophobicContact CG2-CB 3.8Å; I221-Y226 HydrophobicContact CD1-CD2 3.88Å; I221-I229 HydrophobicContact CD1-CD1 4.08Å; I221-I229 HydrophobicContact CG2-CD1 4.02Å
222	N	94	Very high	93.6	Very high	71 Å²	71	67.3 Å²	67.3	38%	0.38	34%	0.341	S	S	.	.			trans	-104.7	-173.5	167.6	74.8	32.8	0	0	0	110.4	I224 Q225 Y226	N222-I224 VanDerWaalsContact C-N 3.25Å; N222-I224 PolarHBondContact O-N 3.45Å; N222-I224 WeakPolarHBondContact OD1-CA 3.42Å; N222-I224 VanDerWaalsContact OD1-CB 3.25Å; N222-I224 WeakPolarHBondContact OD1-CB 3.46Å; N222-I224 PolarHBondContact OD1-N 2.86Å; N222-Q225 PolarHBondContact ND2-OE1 2.85Å; N222-Q225 PolarHBondContact O-N 3.09Å; N222-Q225 PolarHBondContact OD1-N 3.12Å; N222-Q225 PolarHBondContact OD1-OE1 2.89Å; N222-Y226 WeakPolarHBondContact O-CB 3.35Å; N222-Y226 PolarHBondContact O-N 2.9Å
223	K	93.3	Very high	93.9	Very high	169 Å²	169	62.6 Å²	62.6	74%	0.735	30%	0.302	S	S	*	.	H	α-helix	trans	-55.6	-36.9	-179.7	-170.4	175.8	-179.9	-179.8	0	113.4	N227	K223-N227 WeakPolarHBondContact O-CB 3.4Å; K223-N227 PolarHBondContact O-N 3.29Å; K223-N227 PolarHBondContact O-ND2 3.3Å
224	I	94	Very high	94.1	Very high	119 Å²	119	62.4 Å²	62.4	61%	0.61	30%	0.302	S	S	*	.	H	α-helix	trans	-66	-54.2	179.3	-57.8	173.1	0	0	0	109.7	N222 Y226 N227 T228	N222-I224 VanDerWaalsContact C-N 3.25Å; N222-I224 PolarHBondContact O-N 3.45Å; N222-I224 WeakPolarHBondContact OD1-CA 3.42Å; N222-I224 VanDerWaalsContact OD1-CB 3.25Å; N222-I224 WeakPolarHBondContact OD1-CB 3.46Å; N222-I224 PolarHBondContact OD1-N 2.86Å; I224-Y226 VanDerWaalsContact C-N 3.3Å; I224-Y226 PolarHBondContact O-N 3.33Å; I224-N227 PolarHBondContact O-N 3.05Å; I224-T228 PolarHBondContact O-N 3.32Å; I224-T228 VanDerWaalsContact O-N 3.13Å; I224-T228 PolarHBondContact O-OG1 2.94Å
225	Q	95.4	Very high	94.4	Very high	21 Å²	21	57 Å²	57	10%	0.098	28%	0.278	C	S	.	.	H	α-helix	trans	-62.4	-39.7	178.5	-70.5	89.4	28.1	0	0	111.9	G203 M204 I221 N222 N227 T228 I229	G203-Q225 VanDerWaalsContact O-CG 3.31Å; G203-Q225 WeakPolarHBondContact O-CG 3.34Å; M204-Q225 WeakPolarHBondContact O-CB 3.49Å; I221-Q225 HydrophobicContact CB-CB 3.87Å; I221-Q225 HydrophobicContact CG2-CB 3.8Å; N222-Q225 PolarHBondContact ND2-OE1 2.85Å; N222-Q225 PolarHBondContact O-N 3.09Å; N222-Q225 PolarHBondContact OD1-N 3.12Å; N222-Q225 PolarHBondContact OD1-OE1 2.89Å; Q225-N227 VanDerWaalsContact C-N 3.31Å; Q225-N227 PolarHBondContact O-N 3.45Å; Q225-T228 WeakPolarHBondContact O-CB 3.49Å; Q225-T228 PolarHBondContact O-N 3.12Å; Q225-I229 VanDerWaalsContact O-CG1 3.3Å; Q225-I229 WeakPolarHBondContact O-CG1 3.41Å; Q225-I229 PolarHBondContact O-N 3.46Å
226	Y	94.9	Very high	94.8	Very high	49 Å²	49	47.2 Å²	47.2	19%	0.192	24%	0.241	C	C	.	.	H	α-helix	trans	-59.6	-41.1	176.9	-174.6	-96.6	0	0	0	112.2	M1 K172 I221 N222 I224 I229 K230	M1-Y226 PolarHBondContact N-OH 2.7Å; M1-Y226 VanDerWaalsContact N-OH 3.11Å; K172-Y226 HydrophobicContact CB-CD2 4.22Å; K172-Y226 HydrophobicContact CB-CE2 4.21Å; K172-Y226 HydrophobicContact CD-CE2 4.34Å; I221-Y226 HydrophobicContact CD1-CD2 3.88Å; N222-Y226 WeakPolarHBondContact O-CB 3.35Å; N222-Y226 PolarHBondContact O-N 2.9Å; I224-Y226 VanDerWaalsContact C-N 3.3Å; I224-Y226 PolarHBondContact O-N 3.33Å; Y226-I229 PolarHBondContact O-N 2.76Å; Y226-K230 WeakPolarHBondContact O-CB 3.31Å; Y226-K230 PolarHBondContact O-N 3.35Å
227	N	94.3	Very high	95	Very high	86 Å²	86	44.6 Å²	44.6	46%	0.46	23%	0.228	S	C	.	.	H	α-helix	trans	-64.8	-40.6	175.8	-73.6	-21.6	0	0	0	112.2	K223 I224 Q225 K230 S231	K223-N227 WeakPolarHBondContact O-CB 3.4Å; K223-N227 PolarHBondContact O-N 3.29Å; K223-N227 PolarHBondContact O-ND2 3.3Å; I224-N227 PolarHBondContact O-N 3.05Å; Q225-N227 VanDerWaalsContact C-N 3.31Å; Q225-N227 PolarHBondContact O-N 3.45Å; N227-K230 PolarHBondContact O-N 2.85Å; N227-S231 PolarHBondContact O-N 3.04Å
228	T	95.2	Very high	94.9	Very high	57 Å²	57	49.1 Å²	49.1	35%	0.35	25%	0.246	S	C	.	.	H	α-helix	trans	-61	-47.5	174.2	-58.6	0	0	0	0	111.5	I224 Q225 K230 S231 I232	I224-T228 PolarHBondContact O-N 3.32Å; I224-T228 VanDerWaalsContact O-N 3.13Å; I224-T228 PolarHBondContact O-OG1 2.94Å; Q225-T228 WeakPolarHBondContact O-CB 3.49Å; Q225-T228 PolarHBondContact O-N 3.12Å; T228-K230 VanDerWaalsContact C-N 3.33Å; T228-K230 PolarHBondContact O-N 3.11Å; T228-S231 WeakPolarHBondContact O-CB 3.22Å; T228-S231 PolarHBondContact O-N 3.39Å; T228-I232 HydrophobicContact CG2-CD1 4.16Å; T228-I232 WeakPolarHBondContact O-CG1 3.49Å; T228-I232 PolarHBondContact O-N 2.82Å; T228-I232 VanDerWaalsContact O-N 3.11Å
229	I	96.1	Very high	94.8	Very high	0 Å²	0	49 Å²	49	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-61	-43.8	177.4	-64.4	166.2	0	0	0	110.5	M1 L165 I221 Q225 Y226 S231 I232 F233	M1-I229 HydrophobicContact CE-CG2 4.44Å; L165-I229 HydrophobicContact CB-CD1 4.44Å; L165-I229 HydrophobicContact CB-CG1 4.33Å; L165-I229 HydrophobicContact CB-CG2 4.24Å; L165-I229 HydrophobicContact CD1-CG1 4.38Å; L165-I229 HydrophobicContact CD2-CD1 3.91Å; L165-I229 HydrophobicContact CD2-CG1 3.97Å; L165-I229 HydrophobicContact CG-CG1 4.44Å; I221-I229 HydrophobicContact CD1-CD1 4.08Å; I221-I229 HydrophobicContact CG2-CD1 4.02Å; Q225-I229 VanDerWaalsContact O-CG1 3.3Å; Q225-I229 WeakPolarHBondContact O-CG1 3.41Å; Q225-I229 PolarHBondContact O-N 3.46Å; Y226-I229 PolarHBondContact O-N 2.76Å; I229-S231 VanDerWaalsContact C-N 3.3Å; I229-S231 PolarHBondContact O-N 2.87Å; I229-I232 PolarHBondContact O-N 3.3Å; I229-F233 HydrophobicContact CG2-CD1 3.95Å; I229-F233 HydrophobicContact CG2-CD2 4.39Å; I229-F233 HydrophobicContact CG2-CE1 3.58Å; I229-F233 HydrophobicContact CG2-CE2 4.02Å; I229-F233 HydrophobicContact CG2-CG 4.32Å; I229-F233 HydrophobicContact CG2-CZ 3.59Å; I229-F233 WeakPolarHBondContact O-CD1 3.38Å; I229-F233 PolarHBondContact O-N 3.47Å
230	K	95.1	Very high	94.5	Very high	87 Å²	87	51 Å²	51	38%	0.378	26%	0.256	S	S	.	.	H	α-helix	trans	-56.9	-42.7	176.3	-176.4	-175.3	174.4	-171	0	112	M1 Y226 N227 T228 F233 T234	M1-K230 HydrophobicContact CB-CG 4.3Å; M1-K230 HydrophobicContact CE-CB 4.15Å; M1-K230 HydrophobicContact CE-CG 4.47Å; M1-K230 HydrophobicContact CG-CG 4.16Å; Y226-K230 WeakPolarHBondContact O-CB 3.31Å; Y226-K230 PolarHBondContact O-N 3.35Å; N227-K230 PolarHBondContact O-N 2.85Å; T228-K230 VanDerWaalsContact C-N 3.33Å; T228-K230 PolarHBondContact O-N 3.11Å; K230-F233 PolarHBondContact O-N 3.12Å; K230-T234 WeakPolarHBondContact O-CB 3.35Å; K230-T234 PolarHBondContact O-N 2.84Å; K230-T234 PolarHBondContact O-OG1 2.83Å
231	S	95	Very high	93.8	Very high	66 Å²	66	55.2 Å²	55.2	46%	0.462	27%	0.274	S	S	.	.	H	α-helix	trans	-62.2	-48.5	176.7	-174.9	0	0	0	0	111.8	N227 T228 I229 F233 T234 D235	N227-S231 PolarHBondContact O-N 3.04Å; T228-S231 WeakPolarHBondContact O-CB 3.22Å; T228-S231 PolarHBondContact O-N 3.39Å; I229-S231 VanDerWaalsContact C-N 3.3Å; I229-S231 PolarHBondContact O-N 2.87Å; S231-F233 VanDerWaalsContact C-N 3.31Å; S231-F233 PolarHBondContact O-N 3.14Å; S231-T234 PolarHBondContact O-N 3.4Å; S231-D235 PolarHBondContact O-N 3.42Å
232	I	96.4	Very high	92.7	Very high	5 Å²	5	59.8 Å²	59.8	3%	0.026	31%	0.305	C	S	.	.	H	α-helix	trans	-58	-44.2	177.5	-65.2	162.6	0	0	0	111.1	F155 L157 L162 L165 M204 T228 I229 D235 T236	F155-I232 HydrophobicContact CD1-CG1 3.99Å; F155-I232 HydrophobicContact CD2-CG2 4.04Å; F155-I232 HydrophobicContact CE1-CG1 4.08Å; F155-I232 HydrophobicContact CE2-CG2 4.05Å; F155-I232 HydrophobicContact CG-CG1 4.36Å; F155-I232 HydrophobicContact CG-CG2 4.36Å; F155-I232 HydrophobicContact CZ-CG2 4.4Å; L157-I232 HydrophobicContact CD1-CD1 3.95Å; L157-I232 HydrophobicContact CD1-CG2 4.27Å; L162-I232 HydrophobicContact CD1-CG2 4.11Å; L165-I232 HydrophobicContact CD1-CD1 4.33Å; M204-I232 HydrophobicContact CE-CD1 3.99Å; M204-I232 HydrophobicContact SD-CD1 4.29Å; T228-I232 HydrophobicContact CG2-CD1 4.16Å; T228-I232 WeakPolarHBondContact O-CG1 3.49Å; T228-I232 PolarHBondContact O-N 2.82Å; T228-I232 VanDerWaalsContact O-N 3.11Å; I229-I232 PolarHBondContact O-N 3.3Å; I232-D235 PolarHBondContact O-N 2.95Å; I232-T236 VanDerWaalsContact O-CB 3.3Å; I232-T236 WeakPolarHBondContact O-CB 3.47Å; I232-T236 PolarHBondContact O-N 3.2Å; I232-T236 PolarHBondContact O-OG1 2.55Å
233	F	96.9	Very high	92.1	Very high	0 Å²	0	61.2 Å²	61.2	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-70.3	-38.9	-177.3	-76.6	22	0	0	0	111.1	M1 T5 F6 V9 L162 L165 Y166 I229 K230 S231 D235 T236 S237	M1-F233 HydrophobicContact CE-CB 4.1Å; M1-F233 HydrophobicContact CE-CD2 3.48Å; M1-F233 VanDerWaalsContact CE-CD2 3.48Å; M1-F233 HydrophobicContact CE-CE2 4.09Å; M1-F233 HydrophobicContact CE-CG 4Å; M1-F233 HydrophobicContact SD-CB 3.69Å; M1-F233 HydrophobicContact SD-CD2 3.4Å; M1-F233 WeakPolarHBondContact SD-CD2 3.36Å; M1-F233 HydrophobicContact SD-CE2 4.38Å; M1-F233 HydrophobicContact SD-CG 3.98Å; T5-F233 HydrophobicContact CG2-CB 3.85Å; T5-F233 WeakPolarHBondContact CG2-O 3.45Å; F6-F233 HydrophobicContact CD2-CD2 4.44Å; F6-F233 HydrophobicContact CD2-CE2 4.4Å; F6-F233 HydrophobicContact CE2-CE2 4.4Å; V9-F233 HydrophobicContact CB-CD2 4.27Å; V9-F233 HydrophobicContact CG1-CD2 4.15Å; V9-F233 HydrophobicContact CG1-CE1 4.48Å; V9-F233 HydrophobicContact CG1-CE2 4.08Å; V9-F233 HydrophobicContact CG1-CG 4.44Å; V9-F233 HydrophobicContact CG1-CZ 4.26Å; V9-F233 HydrophobicContact CG2-CB 4.01Å; V9-F233 HydrophobicContact CG2-CD2 4.06Å; V9-F233 HydrophobicContact CG2-CG 3.96Å; L162-F233 HydrophobicContact CD1-CD1 3.83Å; L162-F233 HydrophobicContact CD1-CE1 3.52Å; L162-F233 HydrophobicContact CD1-CZ 4.49Å; L162-F233 HydrophobicContact CG-CE1 4.4Å; L165-F233 HydrophobicContact CB-CE1 4.14Å; L165-F233 HydrophobicContact CB-CZ 4.2Å; Y166-F233 AromaticContact CD2-CE2 3.93Å; Y166-F233 HydrophobicContact CD2-CE2 3.93Å; Y166-F233 HydrophobicContact CD2-CZ 4.45Å; I229-F233 HydrophobicContact CG2-CD1 3.95Å; I229-F233 HydrophobicContact CG2-CD2 4.39Å; I229-F233 HydrophobicContact CG2-CE1 3.58Å; I229-F233 HydrophobicContact CG2-CE2 4.02Å; I229-F233 HydrophobicContact CG2-CG 4.32Å; I229-F233 HydrophobicContact CG2-CZ 3.59Å; I229-F233 WeakPolarHBondContact O-CD1 3.38Å; I229-F233 PolarHBondContact O-N 3.47Å; K230-F233 PolarHBondContact O-N 3.12Å; S231-F233 VanDerWaalsContact C-N 3.31Å; S231-F233 PolarHBondContact O-N 3.14Å; F233-D235 PolarHBondContact O-N 3.27Å; F233-T236 PolarHBondContact O-N 3.25Å; F233-S237 VanDerWaalsContact O-CB 3.27Å; F233-S237 WeakPolarHBondContact O-CB 3.48Å; F233-S237 PolarHBondContact O-N 2.97Å; F233-S237 PolarHBondContact O-OG 3.41Å
234	T	95.6	Very high	91.2	Very high	40 Å²	40	62.7 Å²	62.7	25%	0.245	31%	0.311	C	S	.	.	H	α-helix	trans	-58.8	-50.5	175.7	-57	0	0	0	0	110.2	K230 S231 S237 K238	K230-T234 WeakPolarHBondContact O-CB 3.35Å; K230-T234 PolarHBondContact O-N 2.84Å; K230-T234 PolarHBondContact O-OG1 2.83Å; S231-T234 PolarHBondContact O-N 3.4Å; T234-S237 PolarHBondContact O-N 3.01Å; T234-S237 PolarHBondContact O-OG 2.82Å; T234-K238 WeakPolarHBondContact O-CG 3.44Å; T234-K238 PolarHBondContact O-N 3.05Å
235	D	94.8	Very high	90.7	Very high	29 Å²	29	58.9 Å²	58.9	16%	0.155	29%	0.29	C	S	.	.	H	α-helix	trans	-67.1	-39.8	179.2	-85.6	4.5	0	0	0	112.8	R154 F155 S231 I232 F233 K238	R154-D235 IonicContact CZ-OD2 3.9Å; R154-D235 IonicContact NE-OD2 2.78Å; R154-D235 IonicContact NH2-OD2 2.75Å; R154-D235 PolarHBondContact NH2-OD2 3.35Å; F155-D235 HydrophobicContact CE2-CB 4.37Å; F155-D235 HydrophobicContact CZ-CB 3.63Å; S231-D235 PolarHBondContact O-N 3.42Å; I232-D235 PolarHBondContact O-N 2.95Å; F233-D235 PolarHBondContact O-N 3.27Å; D235-K238 PolarHBondContact O-N 3.44Å; D235-K238 IonicContact OD1-NZ 2.87Å; D235-K238 PolarHBondContact OD1-NZ 3.25Å
236	T	95.3	Very high	89.8	Confident	0 Å²	0	59.7 Å²	59.7	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-62.2	-44.4	174.5	-55.9	0	0	0	0	110.5	L151 L162 I232 F233 K238 I239 L240	L151-T236 HydrophobicContact CD2-CG2 4.17Å; L162-T236 HydrophobicContact CD2-CG2 4.3Å; I232-T236 VanDerWaalsContact O-CB 3.3Å; I232-T236 WeakPolarHBondContact O-CB 3.47Å; I232-T236 PolarHBondContact O-N 3.2Å; I232-T236 PolarHBondContact O-OG1 2.55Å; F233-T236 PolarHBondContact O-N 3.25Å; T236-K238 PolarHBondContact O-N 3.38Å; T236-I239 WeakPolarHBondContact O-CG1 3.36Å; T236-I239 PolarHBondContact O-N 3.3Å; T236-I239 VanDerWaalsContact O-N 3.11Å; T236-L240 HydrophobicContact CG2-CD1 4.24Å; T236-L240 HydrophobicContact CG2-CG 4.42Å; T236-L240 WeakPolarHBondContact O-CG 3.36Å; T236-L240 PolarHBondContact O-N 3.44Å
237	S	94.2	Very high	88.6	Confident	9 Å²	9	59.6 Å²	59.6	6%	0.063	29%	0.294	C	S	.	.	H	α-helix	trans	-61.8	-27.7	-179.1	80.3	0	0	0	0	113.9	F233 T234 I239	F233-S237 VanDerWaalsContact O-CB 3.27Å; F233-S237 WeakPolarHBondContact O-CB 3.48Å; F233-S237 PolarHBondContact O-N 2.97Å; F233-S237 PolarHBondContact O-OG 3.41Å; T234-S237 PolarHBondContact O-N 3.01Å; T234-S237 PolarHBondContact O-OG 2.82Å; S237-I239 VanDerWaalsContact C-N 3.32Å; S237-I239 PolarHBondContact O-N 3.19Å
238	K	92.5	Very high	88.3	Confident	122 Å²	122	58.3 Å²	58.3	53%	0.53	29%	0.286	S	S	.	.	H	α-helix	trans	-67.4	-32.7	177.8	-68.7	168.9	-169.3	161.4	0	112.2	T234 D235 T236	T234-K238 WeakPolarHBondContact O-CG 3.44Å; T234-K238 PolarHBondContact O-N 3.05Å; D235-K238 PolarHBondContact O-N 3.44Å; D235-K238 IonicContact OD1-NZ 2.87Å; D235-K238 PolarHBondContact OD1-NZ 3.25Å; T236-K238 PolarHBondContact O-N 3.38Å
239	I	91.3	Very high	87.9	Confident	22 Å²	22	58.3 Å²	58.3	11%	0.113	28%	0.283	C	S	.	.	H	α-helix	trans	-89.3	-16.5	-177.3	69.5	132.4	0	0	0	113.8	Y146 F150 T236 S237 K241	Y146-I239 HydrophobicContact CD1-CD1 4.35Å; Y146-I239 HydrophobicContact CE1-CD1 4.23Å; F150-I239 HydrophobicContact CB-CD1 3.6Å; F150-I239 HydrophobicContact CD1-CD1 3.51Å; F150-I239 HydrophobicContact CD1-CG1 3.84Å; F150-I239 HydrophobicContact CD1-CG2 4.44Å; F150-I239 HydrophobicContact CD2-CD1 4.34Å; F150-I239 HydrophobicContact CD2-CG2 4.03Å; F150-I239 HydrophobicContact CE1-CD1 4.24Å; F150-I239 HydrophobicContact CE1-CG1 4.06Å; F150-I239 HydrophobicContact CE1-CG2 4.2Å; F150-I239 HydrophobicContact CE2-CG2 3.77Å; F150-I239 HydrophobicContact CG-CD1 3.56Å; F150-I239 HydrophobicContact CG-CG1 4.16Å; F150-I239 HydrophobicContact CG-CG2 4.35Å; F150-I239 HydrophobicContact CZ-CG2 3.86Å; T236-I239 WeakPolarHBondContact O-CG1 3.36Å; T236-I239 PolarHBondContact O-N 3.3Å; T236-I239 VanDerWaalsContact O-N 3.11Å; S237-I239 VanDerWaalsContact C-N 3.32Å; S237-I239 PolarHBondContact O-N 3.19Å; I239-K241 PolarHBondContact O-N 3.43Å
240	L	89	Confident	87.5	Confident	41 Å²	41	61.6 Å²	61.6	22%	0.215	30%	0.298	C	S	.	.			trans	-73.6	22.2	-178.5	-67.1	175.6	0	0	0	113.8	K8 F12 T236	K8-L240 HydrophobicContact CB-CD1 4.24Å; K8-L240 WeakPolarHBondContact O-CD1 3.43Å; F12-L240 HydrophobicContact CB-CD1 3.64Å; F12-L240 HydrophobicContact CB-CD2 3.85Å; F12-L240 HydrophobicContact CB-CG 4.41Å; F12-L240 HydrophobicContact CD1-CD1 4.41Å; F12-L240 HydrophobicContact CD1-CD2 4.13Å; F12-L240 HydrophobicContact CD2-CD2 3.64Å; F12-L240 HydrophobicContact CE2-CD2 4.18Å; F12-L240 HydrophobicContact CG-CD1 4.12Å; F12-L240 HydrophobicContact CG-CD2 3.62Å; T236-L240 HydrophobicContact CG2-CD1 4.24Å; T236-L240 HydrophobicContact CG2-CG 4.42Å; T236-L240 WeakPolarHBondContact O-CG 3.36Å; T236-L240 PolarHBondContact O-N 3.44Å
241	K	81	Confident	87	Confident	146 Å²	146	60.1 Å²	60.1	64%	0.635	29%	0.294	S	S	*	.	S	Bend	trans	-76.3	134.7	171.1	-65.1	-177.7	-179.2	-177.8	0	108.5	I239 R243	I239-K241 PolarHBondContact O-N 3.43Å; K241-R243 PolarHBondContact O-N 2.91Å
242	P	72.9	Confident	86.5	Confident	116 Å²	116	59.7 Å²	59.7	75%	0.753	28%	0.283	S	S	*	.	P	Polyproline II helix	trans	-55.2	116.4	177.3	-23.7	32.6	0	0	0	110.6
243	R	81.7	Confident	85.9	Confident	101 Å²	101	63.3 Å²	63.3	38%	0.381	30%	0.3	S	S	.	.	P	Polyproline II helix	trans	-86.5	132	169.8	-63.7	179.2	-178.6	-100.6	-2.9	108.4	N143 Y146 K241 F245	N143-R243 PolarHBondContact ND2-O 3.36Å; N143-R243 WeakPolarHBondContact OD1-CB 3.06Å; N143-R243 PolarHBondContact OD1-N 2.95Å; Y146-R243 VanDerWaalsContact CE1-NE 3.31Å; Y146-R243 VanDerWaalsContact CZ-CZ 3.44Å; Y146-R243 PolarHBondContact OH-NH2 3.32Å; K241-R243 PolarHBondContact O-N 2.91Å; R243-F245 HydrophobicContact CB-CD2 4.49Å; R243-F245 HydrophobicContact CB-CE2 3.99Å; R243-F245 HydrophobicContact CB-CZ 4.02Å; R243-F245 PolarHBondContact O-N 2.96Å
244	K	74.5	Confident	85.1	Confident	200 Å²	200	67.9 Å²	67.9	87%	0.87	32%	0.322	S	S	*	.			trans	-76.9	110	164	-64.7	-173.8	179.6	-177	0	106.4
245	F	81.7	Confident	84.3	Confident	39 Å²	39	70 Å²	70	17%	0.171	33%	0.328	C	S	.	.			trans	-81.4	-157.9	168.2	-67.5	-75.3	0	0	0	108.5	L61 M142 N143 R243 F247	L61-F245 HydrophobicContact CD1-CD1 4.43Å; L61-F245 HydrophobicContact CD1-CE1 3.53Å; L61-F245 HydrophobicContact CD1-CZ 3.81Å; L61-F245 HydrophobicContact CD2-CE1 4.47Å; L61-F245 HydrophobicContact CG-CE1 4.11Å; M142-F245 HydrophobicContact CB-CD1 4.29Å; M142-F245 HydrophobicContact CB-CD2 3.42Å; M142-F245 VanDerWaalsContact CB-CD2 3.42Å; M142-F245 HydrophobicContact CB-CE1 4.25Å; M142-F245 HydrophobicContact CB-CE2 3.34Å; M142-F245 HydrophobicContact CB-CG 3.91Å; M142-F245 HydrophobicContact CB-CZ 3.78Å; M142-F245 HydrophobicContact CE-CD1 3.87Å; M142-F245 HydrophobicContact CE-CE1 4.26Å; M142-F245 HydrophobicContact CE-CG 4.16Å; M142-F245 HydrophobicContact CG-CD2 4.41Å; N143-F245 HydrophobicContact CB-CE2 4.31Å; R243-F245 HydrophobicContact CB-CD2 4.49Å; R243-F245 HydrophobicContact CB-CE2 3.99Å; R243-F245 HydrophobicContact CB-CZ 4.02Å; R243-F245 PolarHBondContact O-N 2.96Å; F245-F247 HydrophobicContact CB-CD2 4.26Å; F245-F247 PolarHBondContact O-N 3.14Å
246	F	77.8	Confident	83.4	Confident	38 Å²	38	73.4 Å²	73.4	17%	0.167	34%	0.342	C	S	.	.			trans	-61.5	5	177.4	62.1	-98.6	0	0	0	115.7	L38 Y42 D59 I60 M142	L38-F246 HydrophobicContact CD1-CE1 4.48Å; L38-F246 HydrophobicContact CD1-CZ 3.91Å; Y42-F246 HydrophobicContact CD2-CB 4.14Å; Y42-F246 AromaticContact CD2-CD1 3.69Å; Y42-F246 HydrophobicContact CD2-CD1 3.69Å; Y42-F246 AromaticContact CD2-CD2 3.27Å; Y42-F246 HydrophobicContact CD2-CD2 3.27Å; Y42-F246 AromaticContact CD2-CE1 3.82Å; Y42-F246 HydrophobicContact CD2-CE1 3.82Å; Y42-F246 AromaticContact CD2-CE2 3.44Å; Y42-F246 HydrophobicContact CD2-CE2 3.44Å; Y42-F246 VanDerWaalsContact CD2-CE2 3.44Å; Y42-F246 AromaticContact CD2-CG 3.41Å; Y42-F246 HydrophobicContact CD2-CG 3.41Å; Y42-F246 VanDerWaalsContact CD2-CG 3.41Å; Y42-F246 AromaticContact CD2-CZ 3.69Å; Y42-F246 HydrophobicContact CD2-CZ 3.69Å; Y42-F246 HydrophobicContact CE2-CB 3.81Å; Y42-F246 HydrophobicContact CE2-CD1 4.01Å; Y42-F246 AromaticContact CE2-CD2 3.85Å; Y42-F246 HydrophobicContact CE2-CD2 3.85Å; Y42-F246 HydrophobicContact CE2-CE2 4.43Å; Y42-F246 AromaticContact CE2-CG 3.61Å; Y42-F246 HydrophobicContact CE2-CG 3.61Å; Y42-F246 HydrophobicContact CG-CD2 4.19Å; Y42-F246 HydrophobicContact CG-CE2 4.04Å; Y42-F246 HydrophobicContact CG-CZ 4.34Å; D59-F246 HydrophobicContact CB-CB 4.21Å; D59-F246 HydrophobicContact CB-CD1 4Å; D59-F246 HydrophobicContact CB-CG 4.41Å; I60-F246 HydrophobicContact CG1-CE1 4.1Å; M142-F246 HydrophobicContact CE-CE1 4.14Å
247	F	69.1	Low	82.3	Confident	47 Å²	47	80.1 Å²	80.1	21%	0.206	37%	0.373	C	S	.	.			trans	-89.1	0	-177.9	-70.8	-71	0	0	0	112.1	L38 A41 Y45 K135 F138 I139 F245	L38-F247 HydrophobicContact CD1-CE2 4.45Å; L38-F247 HydrophobicContact CD1-CZ 4.11Å; A41-F247 HydrophobicContact CB-CE1 4.48Å; Y45-F247 AromaticContact CD2-CD1 3.75Å; Y45-F247 HydrophobicContact CD2-CD1 3.75Å; Y45-F247 AromaticContact CD2-CE1 3.5Å; Y45-F247 HydrophobicContact CD2-CE1 3.5Å; Y45-F247 HydrophobicContact CE2-CD1 4.37Å; Y45-F247 AromaticContact CE2-CE1 3.97Å; Y45-F247 HydrophobicContact CE2-CE1 3.97Å; Y45-F247 HydrophobicContact CG-CD1 4.12Å; Y45-F247 HydrophobicContact CG-CE1 4.31Å; K135-F247 WeakPolarHBondContact CE-OXT 3.34Å; K135-F247 HydrophobicContact CG-CB 4.13Å; K135-F247 HydrophobicContact CG-CD1 3.72Å; K135-F247 HydrophobicContact CG-CE1 4.46Å; K135-F247 HydrophobicContact CG-CG 4.15Å; K135-F247 PolarHBondContact NZ-OXT 3.19Å; F138-F247 HydrophobicContact CB-CE1 4.12Å; F138-F247 HydrophobicContact CB-CE2 3.56Å; F138-F247 HydrophobicContact CB-CZ 3.18Å; F138-F247 HydrophobicContact CD2-CZ 4.26Å; F138-F247 HydrophobicContact CG-CZ 4.05Å; I139-F247 HydrophobicContact CB-CD2 4.45Å; I139-F247 HydrophobicContact CD1-CB 3.75Å; I139-F247 HydrophobicContact CD1-CD2 4.29Å; I139-F247 HydrophobicContact CD1-CG 4.18Å; I139-F247 HydrophobicContact CG1-CB 3.75Å; I139-F247 HydrophobicContact CG1-CD2 3.35Å; I139-F247 HydrophobicContact CG1-CE2 4.11Å; I139-F247 HydrophobicContact CG1-CG 3.73Å; F245-F247 HydrophobicContact CB-CD2 4.26Å; F245-F247 PolarHBondContact O-N 3.14Å

Retrieved 247 of 247 residues in 51.4 ms (Link to these results)

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