PP4C_BOVIN Loading...

Serine/threonine-protein phosphatase 4 catalytic subunit

Protein phosphatase that is involved in many processes such as microtubule organization at centrosomes, maturation of spliceosomal snRNPs, apoptosis, DNA repair, tumor necrosis factor (TNF)-alpha signaling, activation of c-Jun N-terminal kinase MAPK8, regulation of histone acetylation, DNA damage checkpoint signaling, NF-kappa-B activation and cell migration. The PPP4C-PPP4R1 PP4 complex may play a role in dephosphorylation and regulation of HDAC3. The PPP4C-PPP4R2-PPP4R3A PP4 complex specifically dephosphorylates H2AX phosphorylated on Ser-140 (gamma-H2AX) generated during DNA replication and required for DNA double strand break repair. Dephosphorylates NDEL1 at CDK1 phosphorylation sites and negatively regulates CDK1 activity in interphase. In response to DNA damage, catalyzes RPA2 dephosphorylation, an essential step for DNA repair since it allows the efficient RPA2-mediated recruitment of RAD51 to chromatin.

AlphaFold DB , UniProt , Accession A6H772, Species BOVIN (Bos taurus, Bovine), Gene PPP4C, Length 307 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	53.8	Low	83.1	Confident	208 Å²	208	78.1 Å²	78.1	100%	1.025	42%	0.418	S	S	*	.				0	-55.3	0	-74.4	-165.8	-84.1	0	0	111.8	E3 I4 S5	M1-E3 PolarHBondContact O-N 3.06Å; M1-I4 PolarHBondContact O-N 3.38Å; M1-S5 WeakPolarHBondContact O-CB 3.46Å; M1-S5 PolarHBondContact O-N 2.75Å; M1-S5 VanDerWaalsContact O-N 3.11Å
2	A	62.7	Low	84.4	Confident	74 Å²	74	81.1 Å²	81.1	61%	0.612	43%	0.427	S	S	*	.	H	α-helix	trans	-57.2	-47	177.8	0	0	0	0	0	113.6	I4 S5 D6	A2-I4 PolarHBondContact O-N 3.23Å; A2-S5 WeakPolarHBondContact O-CB 3.31Å; A2-S5 PolarHBondContact O-N 3.23Å; A2-D6 PolarHBondContact O-N 3.33Å
3	E	67.7	Low	85.4	Confident	128 Å²	128	77.3 Å²	77.3	60%	0.598	41%	0.406	S	S	*	.	H	α-helix	trans	-65.6	-34.7	-178.2	-69.2	-162.4	176.9	0	0	115.1	M1 L7 K31	M1-E3 PolarHBondContact O-N 3.06Å; E3-L7 PolarHBondContact O-N 3.42Å; E3-K31 WeakPolarHBondContact OE2-CE 3.48Å; E3-K31 IonicContact OE2-NZ 2.68Å; E3-K31 PolarHBondContact OE2-NZ 3.12Å
4	I	73.6	Confident	86.3	Confident	98 Å²	98	71.8 Å²	71.8	50%	0.503	38%	0.377	S	S	.	.	H	α-helix	trans	-70.1	-42.9	176.1	-63.9	174.6	0	0	0	108.9	M1 A2 D6 L7 D8	M1-I4 PolarHBondContact O-N 3.38Å; A2-I4 PolarHBondContact O-N 3.23Å; I4-D6 VanDerWaalsContact C-N 3.27Å; I4-D6 PolarHBondContact O-N 3.13Å; I4-L7 PolarHBondContact O-N 3.18Å; I4-L7 VanDerWaalsContact O-N 3.16Å; I4-D8 PolarHBondContact O-N 3.27Å
5	S	77	Confident	87.1	Confident	79 Å²	79	71 Å²	71	55%	0.552	37%	0.367	S	S	*	.	H	α-helix	trans	-59.9	-36.3	176	-173.4	0	0	0	0	112.7	M1 A2 R9	M1-S5 WeakPolarHBondContact O-CB 3.46Å; M1-S5 PolarHBondContact O-N 2.75Å; M1-S5 VanDerWaalsContact O-N 3.11Å; A2-S5 WeakPolarHBondContact O-CB 3.31Å; A2-S5 PolarHBondContact O-N 3.23Å; S5-R9 WeakPolarHBondContact O-CB 3.28Å; S5-R9 PolarHBondContact O-N 3.46Å
6	D	91.7	Very high	87.7	Confident	85 Å²	85	73.6 Å²	73.6	46%	0.455	37%	0.37	S	S	.	.	H	α-helix	trans	-69.3	-39.2	176.1	-80	-30.4	0	0	0	112.1	A2 I4 R9 Q10	A2-D6 PolarHBondContact O-N 3.33Å; I4-D6 VanDerWaalsContact C-N 3.27Å; I4-D6 PolarHBondContact O-N 3.13Å; D6-R9 PolarHBondContact O-N 3.19Å; D6-Q10 VanDerWaalsContact O-CG 3.23Å; D6-Q10 WeakPolarHBondContact O-CG 3.42Å; D6-Q10 PolarHBondContact O-N 3.36Å
7	L	96.4	Very high	88.2	Confident	13 Å²	13	70.5 Å²	70.5	7%	0.068	36%	0.357	C	S	.	.	H	α-helix	trans	-68.3	-43.2	178	-175.9	60.2	0	0	0	111.9	E3 I4 R9 Q10 I11 L28 A99 V102 R103	E3-L7 PolarHBondContact O-N 3.42Å; I4-L7 PolarHBondContact O-N 3.18Å; I4-L7 VanDerWaalsContact O-N 3.16Å; L7-R9 VanDerWaalsContact C-N 3.3Å; L7-R9 PolarHBondContact O-N 3.16Å; L7-Q10 WeakPolarHBondContact O-CB 3.35Å; L7-Q10 PolarHBondContact O-N 3.44Å; L7-Q10 VanDerWaalsContact O-N 3.13Å; L7-I11 HydrophobicContact CG-CD1 4.17Å; L7-I11 WeakPolarHBondContact O-CG1 3.49Å; L7-I11 PolarHBondContact O-N 3.39Å; L7-L28 HydrophobicContact CD1-CD1 4.03Å; L7-A99 HydrophobicContact CD1-CB 4.17Å; L7-V102 HydrophobicContact CD2-CB 4.2Å; L7-V102 HydrophobicContact CD2-CG1 3.7Å; L7-R103 HydrophobicContact CD2-CB 3.7Å; L7-R103 HydrophobicContact CD2-CG 4.4Å; L7-R103 HydrophobicContact CG-CB 4.25Å
8	D	97.3	Very high	88.7	Confident	60 Å²	60	71.2 Å²	71.2	32%	0.321	36%	0.359	S	S	.	.	H	α-helix	trans	-60.7	-41	176.7	-68.9	-26.8	0	0	0	111	I4 I11 E12 R103	I4-D8 PolarHBondContact O-N 3.27Å; D8-I11 PolarHBondContact O-N 3.38Å; D8-E12 PolarHBondContact O-N 2.75Å; D8-R103 WeakPolarHBondContact OD1-CD 3.47Å; D8-R103 IonicContact OD1-CZ 3.91Å; D8-R103 IonicContact OD1-NE 2.62Å; D8-R103 PolarHBondContact OD1-NE 3.24Å; D8-R103 IonicContact OD1-NH2 2.77Å; D8-R103 IonicContact OD2-NE 3.54Å
9	R	97.9	Very high	89.1	Confident	85 Å²	85	70.4 Å²	70.4	32%	0.321	36%	0.356	S	S	.	.	H	α-helix	trans	-62.4	-42.5	173	-174.8	-160.1	65.2	74.7	1.3	112.3	S5 D6 L7 E12 Q13 E24	S5-R9 WeakPolarHBondContact O-CB 3.28Å; S5-R9 PolarHBondContact O-N 3.46Å; D6-R9 PolarHBondContact O-N 3.19Å; L7-R9 VanDerWaalsContact C-N 3.3Å; L7-R9 PolarHBondContact O-N 3.16Å; R9-E12 PolarHBondContact O-N 3.14Å; R9-Q13 WeakPolarHBondContact O-CB 3.43Å; R9-Q13 PolarHBondContact O-N 3.1Å; R9-E24 IonicContact CZ-OE1 3.18Å; R9-E24 IonicContact NH2-OE1 3.99Å; R9-E24 PolarHBondContact NH2-OE1 3.42Å; R9-E24 IonicContact NH2-OE2 3.91Å
10	Q	98	Very high	89.6	Confident	16 Å²	16	67 Å²	67	8%	0.075	34%	0.338	C	S	.	.	H	α-helix	trans	-62.9	-43.1	176.8	-73.5	167.5	17.1	0	0	111.3	D6 L7 Q13 L14 I20	D6-Q10 VanDerWaalsContact O-CG 3.23Å; D6-Q10 WeakPolarHBondContact O-CG 3.42Å; D6-Q10 PolarHBondContact O-N 3.36Å; L7-Q10 WeakPolarHBondContact O-CB 3.35Å; L7-Q10 PolarHBondContact O-N 3.44Å; L7-Q10 VanDerWaalsContact O-N 3.13Å; Q10-Q13 PolarHBondContact O-N 3.13Å; Q10-L14 WeakPolarHBondContact O-CB 3.38Å; Q10-L14 VanDerWaalsContact O-CG 3.27Å; Q10-L14 WeakPolarHBondContact O-CG 3.37Å; Q10-L14 PolarHBondContact O-N 2.81Å; Q10-I20 HydrophobicContact CB-CG2 4.01Å; Q10-I20 HydrophobicContact CG-CG2 3.98Å
11	I	98.3	Very high	90	Very high	13 Å²	13	70.4 Å²	70.4	7%	0.067	35%	0.351	C	S	.	.	H	α-helix	trans	-60.6	-47.9	175.6	-70	166.3	0	0	0	110.3	L7 D8 Q13 L14 R15 L96 A99 L100 R103	L7-I11 HydrophobicContact CG-CD1 4.17Å; L7-I11 WeakPolarHBondContact O-CG1 3.49Å; L7-I11 PolarHBondContact O-N 3.39Å; D8-I11 PolarHBondContact O-N 3.38Å; I11-Q13 VanDerWaalsContact C-N 3.32Å; I11-Q13 PolarHBondContact O-N 2.82Å; I11-L14 PolarHBondContact O-N 2.94Å; I11-R15 HydrophobicContact CG2-CG 4.41Å; I11-R15 WeakPolarHBondContact O-CB 3.15Å; I11-R15 WeakPolarHBondContact O-CG 3.5Å; I11-R15 PolarHBondContact O-N 3.29Å; I11-L96 HydrophobicContact CG2-CD1 4.31Å; I11-A99 HydrophobicContact CD1-CB 4.41Å; I11-A99 HydrophobicContact CG1-CB 3.63Å; I11-L100 HydrophobicContact CD1-CD2 4.37Å; I11-L100 HydrophobicContact CG2-CD2 4.06Å; I11-R103 HydrophobicContact CD1-CB 3.57Å; I11-R103 HydrophobicContact CD1-CG 3.75Å
12	E	98	Very high	92.1	Very high	114 Å²	114	63.8 Å²	63.8	53%	0.533	32%	0.318	S	S	.	.	H	α-helix	trans	-60.9	-42.4	179.2	-160.9	-159.4	153.9	0	0	111.8	D8 R9 R15 R16	D8-E12 PolarHBondContact O-N 2.75Å; R9-E12 PolarHBondContact O-N 3.14Å; E12-R15 PolarHBondContact O-N 3.14Å; E12-R16 VanDerWaalsContact CD-NH1 3.27Å; E12-R16 PolarHBondContact O-N 2.97Å; E12-R16 IonicContact OE1-NH1 3.44Å; E12-R16 PolarHBondContact OE1-NH1 3.21Å; E12-R16 IonicContact OE2-NH1 2.9Å
13	Q	98.2	Very high	93.8	Very high	32 Å²	32	64.2 Å²	64.2	15%	0.15	32%	0.316	C	S	.	.	H	α-helix	trans	-61.3	-48.7	174.8	-176	175.2	-8.3	0	0	111.6	R9 Q10 I11 R15 R16 E18 L19 I20	R9-Q13 WeakPolarHBondContact O-CB 3.43Å; R9-Q13 PolarHBondContact O-N 3.1Å; Q10-Q13 PolarHBondContact O-N 3.13Å; I11-Q13 VanDerWaalsContact C-N 3.32Å; I11-Q13 PolarHBondContact O-N 2.82Å; Q13-R15 VanDerWaalsContact C-N 3.33Å; Q13-R15 PolarHBondContact O-N 3.4Å; Q13-R16 WeakPolarHBondContact O-CB 3.37Å; Q13-R16 PolarHBondContact O-N 3.08Å; Q13-R16 VanDerWaalsContact O-N 3.07Å; Q13-E18 HydrophobicContact CG-CB 3.58Å; Q13-E18 WeakPolarHBondContact O-CB 3.26Å; Q13-E18 PolarHBondContact O-N 2.9Å; Q13-L19 PolarHBondContact NE2-O 2.98Å; Q13-I20 HydrophobicContact CB-CG2 4.46Å; Q13-I20 HydrophobicContact CG-CG2 4.35Å
14	L	98.3	Very high	95.2	Very high	0 Å²	0	59.5 Å²	59.5	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-62.5	-37.9	177.7	-72.2	164.5	0	0	0	111.8	Q10 I11 R16 C17 I20 F59 L95 L96 A99	Q10-L14 WeakPolarHBondContact O-CB 3.38Å; Q10-L14 VanDerWaalsContact O-CG 3.27Å; Q10-L14 WeakPolarHBondContact O-CG 3.37Å; Q10-L14 PolarHBondContact O-N 2.81Å; I11-L14 PolarHBondContact O-N 2.94Å; L14-R16 PolarHBondContact O-N 3.48Å; L14-C17 WeakPolarHBondContact O-CA 3.42Å; L14-C17 PolarHBondContact O-N 3.06Å; L14-I20 HydrophobicContact CD1-CD1 4.38Å; L14-I20 HydrophobicContact CD1-CG2 4.36Å; L14-I20 HydrophobicContact CD2-CG1 4.46Å; L14-I20 HydrophobicContact CD2-CG2 4.35Å; L14-I20 HydrophobicContact CG-CG2 4.02Å; L14-F59 WeakPolarHBondContact O-CE2 3.36Å; L14-F59 WeakPolarHBondContact O-CZ 3.37Å; L14-L95 HydrophobicContact CD1-CB 4Å; L14-L95 HydrophobicContact CD2-CB 3.82Å; L14-L95 HydrophobicContact CD2-CD1 4.42Å; L14-L96 HydrophobicContact CB-CB 4.19Å; L14-L96 HydrophobicContact CB-CD1 4.1Å; L14-A99 HydrophobicContact CD1-CB 4.06Å
15	R	97.4	Very high	96.4	Very high	60 Å²	60	54.8 Å²	54.8	23%	0.226	27%	0.27	C	S	.	.	H	α-helix	trans	-62.1	-22.8	174.6	-77.2	-174.7	-178	-93.1	0.4	113.9	I11 E12 Q13 C17 K63 D71 L96	I11-R15 HydrophobicContact CG2-CG 4.41Å; I11-R15 WeakPolarHBondContact O-CB 3.15Å; I11-R15 WeakPolarHBondContact O-CG 3.5Å; I11-R15 PolarHBondContact O-N 3.29Å; E12-R15 PolarHBondContact O-N 3.14Å; Q13-R15 VanDerWaalsContact C-N 3.33Å; Q13-R15 PolarHBondContact O-N 3.4Å; R15-C17 VanDerWaalsContact C-N 3.27Å; R15-K63 PolarHBondContact O-NZ 3.47Å; R15-D71 IonicContact CZ-OD1 2.98Å; R15-D71 VanDerWaalsContact CZ-OD1 3.29Å; R15-D71 IonicContact CZ-OD2 2.63Å; R15-D71 VanDerWaalsContact CZ-OD2 3.32Å; R15-D71 IonicContact NH1-OD1 2.85Å; R15-D71 PolarHBondContact NH1-OD1 3.08Å; R15-D71 IonicContact NH1-OD2 3.71Å; R15-D71 PolarHBondContact NH1-OD2 2.84Å; R15-D71 IonicContact NH2-OD1 3.32Å; R15-D71 PolarHBondContact NH2-OD1 2.89Å; R15-D71 IonicContact NH2-OD2 3.9Å; R15-D71 PolarHBondContact NH2-OD2 3.3Å; R15-L96 HydrophobicContact CG-CD1 3.81Å; R15-L96 HydrophobicContact CG-CD2 4.33Å
16	R	96.8	Very high	97.4	Very high	112 Å²	112	56.7 Å²	56.7	42%	0.423	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.2	5.5	170.9	-64.7	-169.5	-58.6	-92.4	-5.6	113.4	E12 Q13 L14 E18	E12-R16 VanDerWaalsContact CD-NH1 3.27Å; E12-R16 PolarHBondContact O-N 2.97Å; E12-R16 IonicContact OE1-NH1 3.44Å; E12-R16 PolarHBondContact OE1-NH1 3.21Å; E12-R16 IonicContact OE2-NH1 2.9Å; Q13-R16 WeakPolarHBondContact O-CB 3.37Å; Q13-R16 PolarHBondContact O-N 3.08Å; Q13-R16 VanDerWaalsContact O-N 3.07Å; L14-R16 PolarHBondContact O-N 3.48Å; R16-E18 VanDerWaalsContact C-N 3.25Å; R16-E18 HydrophobicContact CB-CG 4.01Å; R16-E18 IonicContact CZ-OE2 2.88Å; R16-E18 IonicContact NE-OE1 3.11Å; R16-E18 PolarHBondContact NE-OE1 3.07Å; R16-E18 IonicContact NE-OE2 3.18Å; R16-E18 PolarHBondContact NE-OE2 2.85Å; R16-E18 VanDerWaalsContact NE-OE2 3.09Å; R16-E18 IonicContact NH2-OE2 3.09Å; R16-E18 PolarHBondContact NH2-OE2 3.23Å
17	C	96.7	Very high	97.7	Very high	22 Å²	22	55 Å²	55	15%	0.149	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	61.9	33.8	-173.2	-153.7	0	0	0	0	112.1	L14 R15 F59 Y89	L14-C17 WeakPolarHBondContact O-CA 3.42Å; L14-C17 PolarHBondContact O-N 3.06Å; R15-C17 VanDerWaalsContact C-N 3.27Å; C17-F59 HydrophobicContact CB-CD1 3.81Å; C17-F59 HydrophobicContact CB-CE1 3.45Å; C17-F59 VanDerWaalsContact CB-CE1 3.45Å; C17-F59 HydrophobicContact CB-CZ 4.07Å; C17-F59 WeakPolarHBondContact SG-CD1 3.45Å; C17-Y89 VanDerWaalsContact SG-CD1 3.56Å
18	E	97	Very high	97.8	Very high	83 Å²	83	54.5 Å²	54.5	39%	0.388	26%	0.263	S	S	.	.			trans	-106.6	135.2	179.2	-65.6	165.4	-173.1	0	0	110.3	Q13 R16	Q13-E18 HydrophobicContact CG-CB 3.58Å; Q13-E18 WeakPolarHBondContact O-CB 3.26Å; Q13-E18 PolarHBondContact O-N 2.9Å; R16-E18 VanDerWaalsContact C-N 3.25Å; R16-E18 HydrophobicContact CB-CG 4.01Å; R16-E18 IonicContact CZ-OE2 2.88Å; R16-E18 IonicContact NE-OE1 3.11Å; R16-E18 PolarHBondContact NE-OE1 3.07Å; R16-E18 IonicContact NE-OE2 3.18Å; R16-E18 PolarHBondContact NE-OE2 2.85Å; R16-E18 VanDerWaalsContact NE-OE2 3.09Å; R16-E18 IonicContact NH2-OE2 3.09Å; R16-E18 PolarHBondContact NH2-OE2 3.23Å
19	L	97.1	Very high	97.9	Very high	56 Å²	56	52 Å²	52	29%	0.293	25%	0.25	S	C	.	.	P	Polyproline II helix	trans	-72.8	129.4	-178.9	-62.7	174.8	0	0	0	112.2	Q13 V91 E92 K133 Y134	Q13-L19 PolarHBondContact NE2-O 2.98Å; L19-V91 HydrophobicContact CD2-CB 4.49Å; L19-V91 HydrophobicContact CD2-CG1 3.56Å; L19-E92 HydrophobicContact CD2-CG 4.05Å; L19-E92 WeakPolarHBondContact CD2-OE1 3.32Å; L19-K133 HydrophobicContact CD1-CB 3.74Å; L19-K133 HydrophobicContact CD1-CD 4.16Å; L19-K133 HydrophobicContact CD1-CG 4.14Å; L19-K133 HydrophobicContact CD2-CD 4.13Å; L19-Y134 HydrophobicContact CD2-CE2 4.31Å
20	I	98.2	Very high	97.9	Very high	1 Å²	1	49.6 Å²	49.6	1%	0.005	25%	0.249	C	C	.	.	P	Polyproline II helix	trans	-75.4	157.2	164.6	61.3	167.8	0	0	0	110.4	Q10 Q13 L14 E24 V25 L28 L95 Y134	Q10-I20 HydrophobicContact CB-CG2 4.01Å; Q10-I20 HydrophobicContact CG-CG2 3.98Å; Q13-I20 HydrophobicContact CB-CG2 4.46Å; Q13-I20 HydrophobicContact CG-CG2 4.35Å; L14-I20 HydrophobicContact CD1-CD1 4.38Å; L14-I20 HydrophobicContact CD1-CG2 4.36Å; L14-I20 HydrophobicContact CD2-CG1 4.46Å; L14-I20 HydrophobicContact CD2-CG2 4.35Å; L14-I20 HydrophobicContact CG-CG2 4.02Å; I20-E24 HydrophobicContact CB-CB 4.15Å; I20-E24 WeakPolarHBondContact CB-OE2 3.34Å; I20-E24 HydrophobicContact CD1-CB 4.12Å; I20-E24 HydrophobicContact CG1-CB 4.43Å; I20-V25 HydrophobicContact CD1-CG2 3.9Å; I20-V25 HydrophobicContact CG1-CG2 3.75Å; I20-L28 HydrophobicContact CD1-CD2 4.27Å; I20-L95 HydrophobicContact CD1-CD1 4.47Å; I20-L95 HydrophobicContact CG1-CD1 4.17Å; I20-Y134 VanDerWaalsContact O-CE1 3.25Å; I20-Y134 WeakPolarHBondContact O-CE1 3.17Å; I20-Y134 PolarHBondContact O-OH 3.36Å
21	K	97.8	Very high	97.9	Very high	139 Å²	139	51.6 Å²	51.6	60%	0.604	26%	0.257	S	S	*	.	P	Polyproline II helix	trans	-65.8	153.2	-177	-61.8	172.5	-176.3	167	0	111.4	S23 E24 V25	K21-S23 PolarHBondContact O-N 2.99Å; K21-S23 VanDerWaalsContact O-N 3.16Å; K21-E24 HydrophobicContact CB-CB 4.42Å; K21-E24 HydrophobicContact CB-CG 4.05Å; K21-E24 PolarHBondContact N-OE2 3.38Å; K21-E24 WeakPolarHBondContact O-CA 3.38Å; K21-E24 WeakPolarHBondContact O-CB 3.25Å; K21-E24 PolarHBondContact O-N 3.02Å; K21-V25 PolarHBondContact O-N 3.17Å
22	E	98.3	Very high	97.9	Very high	70 Å²	70	51 Å²	51	33%	0.327	25%	0.254	S	S	.	.	H	α-helix	trans	-53.6	-39	176.2	-175.6	-177.4	126.9	0	0	112.7	E24 V25 K26 Y134 S136 T138 V139 Y142	E22-E24 VanDerWaalsContact C-N 3.29Å; E22-E24 PolarHBondContact O-N 3.09Å; E22-V25 PolarHBondContact O-N 2.92Å; E22-K26 PolarHBondContact O-N 2.78Å; E22-Y134 HydrophobicContact CB-CD1 4.34Å; E22-S136 PolarHBondContact OE2-OG 2.58Å; E22-T138 HydrophobicContact CG-CG2 4.39Å; E22-T138 VanDerWaalsContact OE1-CG2 3.28Å; E22-T138 WeakPolarHBondContact OE1-CG2 3.18Å; E22-V139 HydrophobicContact CB-CG2 4.44Å; E22-V139 HydrophobicContact CG-CG2 4.03Å; E22-Y142 HydrophobicContact CG-CE2 4.21Å
23	S	97.5	Very high	97.9	Very high	82 Å²	82	50 Å²	50	57%	0.573	25%	0.245	S	C	*	.	H	α-helix	trans	-64.5	-33	175.6	57.5	0	0	0	0	113.2	K21 A27	K21-S23 PolarHBondContact O-N 2.99Å; K21-S23 VanDerWaalsContact O-N 3.16Å; S23-A27 PolarHBondContact O-N 2.84Å
24	E	98.1	Very high	97.9	Very high	29 Å²	29	54.7 Å²	54.7	14%	0.136	27%	0.268	C	S	.	.	H	α-helix	trans	-74.4	-40.6	177.4	-64.5	168.3	161.3	0	0	110.1	R9 I20 K21 E22 K26 A27 L28	R9-E24 IonicContact CZ-OE1 3.18Å; R9-E24 IonicContact NH2-OE1 3.99Å; R9-E24 PolarHBondContact NH2-OE1 3.42Å; R9-E24 IonicContact NH2-OE2 3.91Å; I20-E24 HydrophobicContact CB-CB 4.15Å; I20-E24 WeakPolarHBondContact CB-OE2 3.34Å; I20-E24 HydrophobicContact CD1-CB 4.12Å; I20-E24 HydrophobicContact CG1-CB 4.43Å; K21-E24 HydrophobicContact CB-CB 4.42Å; K21-E24 HydrophobicContact CB-CG 4.05Å; K21-E24 PolarHBondContact N-OE2 3.38Å; K21-E24 WeakPolarHBondContact O-CA 3.38Å; K21-E24 WeakPolarHBondContact O-CB 3.25Å; K21-E24 PolarHBondContact O-N 3.02Å; E22-E24 VanDerWaalsContact C-N 3.29Å; E22-E24 PolarHBondContact O-N 3.09Å; E24-K26 VanDerWaalsContact C-N 3.32Å; E24-K26 PolarHBondContact O-N 2.94Å; E24-A27 PolarHBondContact O-N 3.3Å; E24-L28 WeakPolarHBondContact O-CB 3.1Å; E24-L28 PolarHBondContact O-N 3.26Å
25	V	98.6	Very high	97.9	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-57.3	-46.1	171.5	178.5	0	0	0	0	111	I20 K21 E22 A27 L28 C29 L95 Y134 V139 Y142	I20-V25 HydrophobicContact CD1-CG2 3.9Å; I20-V25 HydrophobicContact CG1-CG2 3.75Å; K21-V25 PolarHBondContact O-N 3.17Å; E22-V25 PolarHBondContact O-N 2.92Å; V25-A27 PolarHBondContact O-N 2.73Å; V25-L28 PolarHBondContact O-N 2.8Å; V25-C29 WeakPolarHBondContact O-CB 3.45Å; V25-C29 PolarHBondContact O-N 2.7Å; V25-C29 PolarHBondContact O-SG 2.82Å; V25-L95 HydrophobicContact CG1-CD2 3.86Å; V25-L95 HydrophobicContact CG2-CD1 3.82Å; V25-L95 HydrophobicContact CG2-CD2 4.27Å; V25-Y134 HydrophobicContact CG2-CE1 4.42Å; V25-V139 HydrophobicContact CB-CG2 4.33Å; V25-V139 HydrophobicContact CG1-CG1 4.09Å; V25-V139 HydrophobicContact CG1-CG2 4.24Å; V25-V139 HydrophobicContact CG2-CG2 4.26Å; V25-Y142 HydrophobicContact CG1-CD2 4.23Å
26	K	98.2	Very high	97.9	Very high	118 Å²	118	53.9 Å²	53.9	51%	0.513	27%	0.267	S	S	.	.	H	α-helix	trans	-57.7	-47.4	177.5	-173.5	-177.3	-176.3	174.1	0	111.9	E22 E24 C29 A30 Y142	E22-K26 PolarHBondContact O-N 2.78Å; E24-K26 VanDerWaalsContact C-N 3.32Å; E24-K26 PolarHBondContact O-N 2.94Å; K26-C29 PolarHBondContact O-N 3.27Å; K26-A30 PolarHBondContact O-N 2.98Å; K26-Y142 HydrophobicContact CB-CD2 4.09Å; K26-Y142 HydrophobicContact CB-CE2 3.62Å; K26-Y142 HydrophobicContact CD-CE1 4.42Å; K26-Y142 HydrophobicContact CD-CE2 4.44Å; K26-Y142 HydrophobicContact CG-CE1 4.07Å; K26-Y142 HydrophobicContact CG-CE2 4.01Å
27	A	97.9	Very high	98	Very high	49 Å²	49	50.9 Å²	50.9	41%	0.405	26%	0.261	S	S	.	.	H	α-helix	trans	-66	-40.5	179.4	0	0	0	0	0	111.8	S23 E24 V25 A30 K31	S23-A27 PolarHBondContact O-N 2.84Å; E24-A27 PolarHBondContact O-N 3.3Å; V25-A27 PolarHBondContact O-N 2.73Å; A27-A30 PolarHBondContact O-N 3.13Å; A27-K31 WeakPolarHBondContact O-CG 3.35Å; A27-K31 PolarHBondContact O-N 3.02Å; A27-K31 VanDerWaalsContact O-N 3.14Å
28	L	98.5	Very high	98	Very high	3 Å²	3	57.7 Å²	57.7	2%	0.016	29%	0.291	C	S	.	.	H	α-helix	trans	-61	-47.9	175.8	175.6	62.4	0	0	0	111.4	L7 I20 E24 V25 A30 K31 A32 L95 L98 A99 V102	L7-L28 HydrophobicContact CD1-CD1 4.03Å; I20-L28 HydrophobicContact CD1-CD2 4.27Å; E24-L28 WeakPolarHBondContact O-CB 3.1Å; E24-L28 PolarHBondContact O-N 3.26Å; V25-L28 PolarHBondContact O-N 2.8Å; L28-A30 PolarHBondContact O-N 3.14Å; L28-K31 PolarHBondContact O-N 2.76Å; L28-A32 WeakPolarHBondContact O-CB 3.36Å; L28-A32 PolarHBondContact O-N 3.07Å; L28-L95 HydrophobicContact CD2-CD2 4.24Å; L28-L98 HydrophobicContact CD2-CB 4.38Å; L28-L98 HydrophobicContact CD2-CD2 4.27Å; L28-L98 HydrophobicContact CD2-CG 4.46Å; L28-L98 HydrophobicContact CG-CD2 4.1Å; L28-L98 HydrophobicContact CG-CG 4.28Å; L28-A99 HydrophobicContact CD1-CB 4.12Å; L28-A99 HydrophobicContact CD2-CB 4.06Å; L28-V102 HydrophobicContact CD1-CB 4.02Å; L28-V102 HydrophobicContact CD1-CG1 4.49Å; L28-V102 HydrophobicContact CD1-CG2 3.72Å
29	C	98.7	Very high	98.1	Very high	7 Å²	7	54.6 Å²	54.6	5%	0.047	28%	0.276	C	S	.	.	H	α-helix	trans	-61	-43.7	177.3	-67.2	0	0	0	0	111.3	V25 K26 K31 A32 R33 I146	V25-C29 WeakPolarHBondContact O-CB 3.45Å; V25-C29 PolarHBondContact O-N 2.7Å; V25-C29 PolarHBondContact O-SG 2.82Å; K26-C29 PolarHBondContact O-N 3.27Å; C29-K31 VanDerWaalsContact C-N 3.32Å; C29-K31 PolarHBondContact O-N 2.81Å; C29-A32 PolarHBondContact O-N 2.87Å; C29-R33 PolarHBondContact O-N 3.18Å; C29-I146 HydrophobicContact CB-CD1 3.86Å; C29-I146 HydrophobicContact CB-CG1 3.64Å; C29-I146 WeakPolarHBondContact O-CD1 3.38Å
30	A	98.2	Very high	98.1	Very high	36 Å²	36	53.6 Å²	53.6	30%	0.298	27%	0.274	S	S	.	.	H	α-helix	trans	-56.9	-45.1	177.3	0	0	0	0	0	112.3	K26 A27 L28 R33 E34	K26-A30 PolarHBondContact O-N 2.98Å; A27-A30 PolarHBondContact O-N 3.13Å; L28-A30 PolarHBondContact O-N 3.14Å; A30-R33 PolarHBondContact O-N 3.1Å; A30-E34 PolarHBondContact O-N 2.99Å
31	K	98	Very high	98.1	Very high	58 Å²	58	53.9 Å²	53.9	25%	0.252	28%	0.276	S	S	.	.	H	α-helix	trans	-66.7	-41.2	176.2	-69.1	-176.8	173.1	-161.7	0	112.8	E3 A27 L28 C29 R33 E34 I35 V102	E3-K31 WeakPolarHBondContact OE2-CE 3.48Å; E3-K31 IonicContact OE2-NZ 2.68Å; E3-K31 PolarHBondContact OE2-NZ 3.12Å; A27-K31 WeakPolarHBondContact O-CG 3.35Å; A27-K31 PolarHBondContact O-N 3.02Å; A27-K31 VanDerWaalsContact O-N 3.14Å; L28-K31 PolarHBondContact O-N 2.76Å; C29-K31 VanDerWaalsContact C-N 3.32Å; C29-K31 PolarHBondContact O-N 2.81Å; K31-R33 VanDerWaalsContact C-N 3.28Å; K31-R33 PolarHBondContact O-N 3.5Å; K31-E34 WeakPolarHBondContact O-CB 3.4Å; K31-E34 PolarHBondContact O-N 3.02Å; K31-I35 PolarHBondContact O-N 2.79Å; K31-V102 HydrophobicContact CB-CG1 3.74Å; K31-V102 HydrophobicContact CB-CG2 4.2Å; K31-V102 HydrophobicContact CD-CG1 4.09Å
32	A	98.5	Very high	98.2	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-61.7	-39.6	176.3	0	0	0	0	0	111.7	L28 C29 E34 I35 L36 L98 V102 I146	L28-A32 WeakPolarHBondContact O-CB 3.36Å; L28-A32 PolarHBondContact O-N 3.07Å; C29-A32 PolarHBondContact O-N 2.87Å; A32-E34 VanDerWaalsContact C-N 3.33Å; A32-E34 PolarHBondContact O-N 3.04Å; A32-I35 PolarHBondContact O-N 3.41Å; A32-I35 VanDerWaalsContact O-N 3.16Å; A32-L36 HydrophobicContact CB-CD1 4.39Å; A32-L36 WeakPolarHBondContact O-CB 3.48Å; A32-L36 VanDerWaalsContact O-CG 3.27Å; A32-L36 WeakPolarHBondContact O-CG 3.15Å; A32-L36 PolarHBondContact O-N 2.98Å; A32-L98 HydrophobicContact CB-CD1 3.45Å; A32-L98 VanDerWaalsContact CB-CD1 3.45Å; A32-L98 HydrophobicContact CB-CD2 4.09Å; A32-L98 HydrophobicContact CB-CG 3.81Å; A32-V102 HydrophobicContact CB-CG2 3.72Å; A32-I146 HydrophobicContact CB-CD1 4.38Å
33	R	98.3	Very high	98.2	Very high	93 Å²	93	45.9 Å²	45.9	35%	0.351	24%	0.24	S	C	.	.	H	α-helix	trans	-61.5	-40.4	176.4	-169.9	178.8	65	-156.7	-1.5	112.2	C29 A30 K31 I35 V37 E145 I146 Y149	C29-R33 PolarHBondContact O-N 3.18Å; A30-R33 PolarHBondContact O-N 3.1Å; K31-R33 VanDerWaalsContact C-N 3.28Å; K31-R33 PolarHBondContact O-N 3.5Å; R33-I35 PolarHBondContact O-N 3.48Å; R33-V37 VanDerWaalsContact O-CB 3.28Å; R33-V37 WeakPolarHBondContact O-CB 3.37Å; R33-V37 WeakPolarHBondContact O-CG1 3.42Å; R33-V37 PolarHBondContact O-N 3.14Å; R33-E145 IonicContact CZ-OE1 2.72Å; R33-E145 IonicContact NH1-OE1 3.29Å; R33-E145 PolarHBondContact NH1-OE1 3.37Å; R33-I146 HydrophobicContact CB-CD1 3.87Å; R33-Y149 HydrophobicContact CG-CD1 3.94Å; R33-Y149 HydrophobicContact CG-CD2 4.1Å; R33-Y149 HydrophobicContact CG-CE1 3.68Å; R33-Y149 HydrophobicContact CG-CE2 3.87Å; R33-Y149 HydrophobicContact CG-CG 4.15Å
34	E	97.9	Very high	98.3	Very high	131 Å²	131	50 Å²	50	61%	0.612	24%	0.244	S	C	*	.	H	α-helix	trans	-61.4	-31.5	176.1	-70.1	169.7	-171.9	0	0	112.6	A30 K31 A32 V37	A30-E34 PolarHBondContact O-N 2.99Å; K31-E34 WeakPolarHBondContact O-CB 3.4Å; K31-E34 PolarHBondContact O-N 3.02Å; A32-E34 VanDerWaalsContact C-N 3.33Å; A32-E34 PolarHBondContact O-N 3.04Å; E34-V37 WeakPolarHBondContact O-CG1 3.3Å
35	I	98.3	Very high	98.3	Very high	42 Å²	42	49.3 Å²	49.3	22%	0.215	24%	0.241	C	C	.	.	H	α-helix	trans	-82.3	-53.7	177.2	-64.6	163	0	0	0	110.4	K31 A32 R33 V37 E38 V102 P105	K31-I35 PolarHBondContact O-N 2.79Å; A32-I35 PolarHBondContact O-N 3.41Å; A32-I35 VanDerWaalsContact O-N 3.16Å; R33-I35 PolarHBondContact O-N 3.48Å; I35-V37 PolarHBondContact O-N 2.75Å; I35-E38 PolarHBondContact O-N 3.4Å; I35-E38 VanDerWaalsContact O-N 3.15Å; I35-V102 HydrophobicContact CD1-CB 4.32Å; I35-V102 HydrophobicContact CD1-CG1 4.33Å; I35-V102 HydrophobicContact CD1-CG2 4.23Å; I35-P105 HydrophobicContact CD1-CB 4.35Å; I35-P105 HydrophobicContact CG2-CB 4Å
36	L	98.4	Very high	98.3	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-67.3	-22.7	-172.5	-66.4	170.8	0	0	0	112.9	A32 E38 E39 I146 L150 R182	A32-L36 HydrophobicContact CB-CD1 4.39Å; A32-L36 WeakPolarHBondContact O-CB 3.48Å; A32-L36 VanDerWaalsContact O-CG 3.27Å; A32-L36 WeakPolarHBondContact O-CG 3.15Å; A32-L36 PolarHBondContact O-N 2.98Å; L36-E38 VanDerWaalsContact C-N 3.26Å; L36-E38 PolarHBondContact O-N 3.43Å; L36-E39 PolarHBondContact O-N 2.92Å; L36-I146 HydrophobicContact CD1-CG2 3.74Å; L36-L150 HydrophobicContact CD1-CD2 4.11Å; L36-L150 HydrophobicContact CD2-CD2 4.38Å; L36-R182 PolarHBondContact O-NH2 3.2Å
37	V	97.5	Very high	98.2	Very high	50 Å²	50	48.8 Å²	48.8	30%	0.303	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-27.7	176	73	0	0	0	0	112.9	R33 E34 I35 Y149	R33-V37 VanDerWaalsContact O-CB 3.28Å; R33-V37 WeakPolarHBondContact O-CB 3.37Å; R33-V37 WeakPolarHBondContact O-CG1 3.42Å; R33-V37 PolarHBondContact O-N 3.14Å; E34-V37 WeakPolarHBondContact O-CG1 3.3Å; I35-V37 PolarHBondContact O-N 2.75Å; V37-Y149 HydrophobicContact CB-CD1 4.05Å; V37-Y149 HydrophobicContact CB-CE1 4.21Å; V37-Y149 HydrophobicContact CG2-CD1 4.28Å; V37-Y149 HydrophobicContact CG2-CE1 4.09Å
38	E	97.4	Very high	98.3	Very high	164 Å²	164	49.2 Å²	49.2	77%	0.766	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.5	-13.2	179.1	-60.4	-59.8	137.1	0	0	112.4	I35 L36	I35-E38 PolarHBondContact O-N 3.4Å; I35-E38 VanDerWaalsContact O-N 3.15Å; L36-E38 VanDerWaalsContact C-N 3.26Å; L36-E38 PolarHBondContact O-N 3.43Å
39	E	98.1	Very high	98.3	Very high	18 Å²	18	49.2 Å²	49.2	8%	0.084	24%	0.244	C	C	.	.	S	Bend	trans	-75.8	149.4	177.9	-67	-169.8	177.7	0	0	112.8	L36 K101 S151 R182	L36-E39 PolarHBondContact O-N 2.92Å; E39-K101 WeakPolarHBondContact OE1-CE 3.27Å; E39-K101 IonicContact OE1-NZ 2.97Å; E39-K101 PolarHBondContact OE1-NZ 3.22Å; E39-S151 WeakPolarHBondContact CB-OG 3.41Å; E39-S151 PolarHBondContact OE2-OG 3.39Å; E39-S151 VanDerWaalsContact OE2-OG 3.08Å; E39-R182 VanDerWaalsContact O-CZ 3.29Å; E39-R182 PolarHBondContact O-NH1 2.94Å; E39-R182 PolarHBondContact O-NH2 2.94Å
40	S	98.2	Very high	98.3	Very high	36 Å²	36	49.1 Å²	49.1	25%	0.252	24%	0.244	S	C	.	.			trans	-85.5	150.9	178.2	160.8	0	0	0	0	111.1	V42 Q43 S151 R178	S40-V42 WeakPolarHBondContact CB-O 3.46Å; S40-V42 CarbonylContact O-C 3.55Å; S40-V42 PolarHBondContact O-N 3.31Å; S40-V42 VanDerWaalsContact O-N 3.14Å; S40-V42 PolarHBondContact OG-N 3.19Å; S40-V42 VanDerWaalsContact OG-N 3.13Å; S40-V42 PolarHBondContact OG-O 2.89Å; S40-Q43 VanDerWaalsContact N-OE1 3.14Å; S40-Q43 PolarHBondContact O-N 3.49Å; S40-S151 WeakPolarHBondContact O-CB 3.36Å; S40-S151 PolarHBondContact O-OG 2.78Å; S40-S151 VanDerWaalsContact O-OG 3.07Å; S40-R178 PolarHBondContact OG-NH1 3.36Å
41	N	98.8	Very high	98.3	Very high	7 Å²	7	47.4 Å²	47.4	4%	0.037	23%	0.229	C	C	.	.	S	Bend	trans	-57.2	-31	172.8	-66.4	-11	0	0	0	112.5	L152 S153 I177 I180 R182	N41-L152 HydrophobicContact CB-CB 4.45Å; N41-L152 HydrophobicContact CB-CD1 4.37Å; N41-L152 HydrophobicContact CB-CG 4.41Å; N41-L152 PolarHBondContact O-N 2.85Å; N41-L152 VanDerWaalsContact O-N 3.15Å; N41-S153 PolarHBondContact O-N 2.9Å; N41-S153 PolarHBondContact O-OG 2.96Å; N41-S153 VanDerWaalsContact O-OG 3.12Å; N41-I177 HydrophobicContact CB-CG2 4.1Å; N41-I177 WeakPolarHBondContact CB-O 3.4Å; N41-I177 PolarHBondContact ND2-O 2.85Å; N41-I180 PolarHBondContact ND2-O 3.1Å; N41-R182 WeakPolarHBondContact OD1-CD 3.38Å; N41-R182 VanDerWaalsContact OD1-CG 3.25Å; N41-R182 WeakPolarHBondContact OD1-CG 3.35Å; N41-R182 PolarHBondContact OD1-NH1 2.73Å
42	V	98.8	Very high	98.4	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	92.2	166.6	-169.9	0	0	0	0	107.2	S40 S153 I155 L174 I177 R178	S40-V42 WeakPolarHBondContact CB-O 3.46Å; S40-V42 CarbonylContact O-C 3.55Å; S40-V42 PolarHBondContact O-N 3.31Å; S40-V42 VanDerWaalsContact O-N 3.14Å; S40-V42 PolarHBondContact OG-N 3.19Å; S40-V42 VanDerWaalsContact OG-N 3.13Å; S40-V42 PolarHBondContact OG-O 2.89Å; V42-S153 WeakPolarHBondContact CA-O 3.42Å; V42-I155 HydrophobicContact CG1-CB 3.94Å; V42-I155 HydrophobicContact CG1-CG2 3.78Å; V42-L174 HydrophobicContact CG1-CD2 4.47Å; V42-I177 HydrophobicContact CG2-CB 3.62Å; V42-I177 HydrophobicContact CG2-CD1 4.34Å; V42-I177 HydrophobicContact CG2-CG2 3.64Å; V42-R178 HydrophobicContact CB-CG 4.23Å; V42-R178 HydrophobicContact CG2-CG 3.84Å; V42-R178 PolarHBondContact O-NH1 3.11Å
43	Q	98.6	Very high	98.4	Very high	40 Å²	40	44.6 Å²	44.6	19%	0.187	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	128.9	-176.4	-175.6	58.7	14.5	0	0	110.3	S40 T109 S153 A154 I155	S40-Q43 VanDerWaalsContact N-OE1 3.14Å; S40-Q43 PolarHBondContact O-N 3.49Å; Q43-T109 HydrophobicContact CB-CG2 4.24Å; Q43-T109 HydrophobicContact CG-CG2 3.85Å; Q43-S153 PolarHBondContact N-O 2.86Å; Q43-A154 HydrophobicContact CB-CB 4.46Å; Q43-A154 CarbonylContact O-C 3.55Å; Q43-A154 WeakPolarHBondContact O-CA 3.43Å; Q43-A154 WeakPolarHBondContact O-CB 3.17Å; Q43-I155 PolarHBondContact O-N 2.81Å
44	R	98.4	Very high	98.4	Very high	170 Å²	170	40.2 Å²	40.2	64%	0.642	20%	0.201	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-75.2	134.1	174.1	179.7	178.8	169.3	178.7	-2.1	109.1	D46	R44-D46 IonicContact CZ-OD1 2.75Å; R44-D46 VanDerWaalsContact CZ-OD1 3.28Å; R44-D46 IonicContact NE-OD1 3.14Å; R44-D46 PolarHBondContact NE-OD1 3.44Å; R44-D46 IonicContact NH2-OD1 2.89Å; R44-D46 PolarHBondContact NH2-OD1 3.15Å; R44-D46 IonicContact NH2-OD2 3.28Å
45	V	98.6	Very high	98.5	Very high	13 Å²	13	34.1 Å²	34.1	8%	0.079	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	136.8	173.5	178.6	0	0	0	0	107.1	V49 L78 T109 A154 I155 I156 D157	V45-V49 HydrophobicContact CG1-CB 4.18Å; V45-V49 HydrophobicContact CG1-CG1 4.22Å; V45-V49 HydrophobicContact CG1-CG2 3.92Å; V45-L78 HydrophobicContact CG2-CD1 4.39Å; V45-T109 HydrophobicContact CG2-CG2 4.09Å; V45-A154 HydrophobicContact CG2-CB 4.08Å; V45-I155 PolarHBondContact N-O 3.23Å; V45-I156 HydrophobicContact CB-CG1 4.17Å; V45-I156 HydrophobicContact CG1-CG1 4.34Å; V45-I156 VanDerWaalsContact O-CA 3.27Å; V45-I156 WeakPolarHBondContact O-CA 3.44Å; V45-D157 PolarHBondContact O-N 3Å
46	D	98.2	Very high	98.4	Very high	83 Å²	83	32.3 Å²	32.3	44%	0.444	16%	0.163	S	C	.	.	P	Polyproline II helix	trans	-103.4	147.3	176	-59.7	-46.7	0	0	0	109.3	R44 D157	R44-D46 IonicContact CZ-OD1 2.75Å; R44-D46 VanDerWaalsContact CZ-OD1 3.28Å; R44-D46 IonicContact NE-OD1 3.14Å; R44-D46 PolarHBondContact NE-OD1 3.44Å; R44-D46 IonicContact NH2-OD1 2.89Å; R44-D46 PolarHBondContact NH2-OD1 3.15Å; R44-D46 IonicContact NH2-OD2 3.28Å; D46-D157 VanDerWaalsContact CA-OD1 3.28Å; D46-D157 WeakPolarHBondContact CA-OD1 3.36Å
47	S	98	Very high	98.4	Very high	25 Å²	25	32.3 Å²	32.3	18%	0.175	16%	0.163	C	C	.	.	S	Bend	trans	-74.1	156.6	170.8	67.2	0	0	0	0	111.9	D157 D276	S47-D157 WeakPolarHBondContact CB-OD2 3.45Å; S47-D157 PolarHBondContact N-OD1 3.22Å; S47-D157 PolarHBondContact OG-OD2 2.79Å; S47-D276 VanDerWaalsContact CB-O 3.25Å; S47-D276 WeakPolarHBondContact CB-O 3.22Å; S47-D276 PolarHBondContact OG-O 3.04Å
48	P	98.5	Very high	98.4	Very high	57 Å²	57	30.1 Å²	30.1	37%	0.37	15%	0.15	S	C	.	.	S	Bend	cis	-73.3	147	-1.7	31.9	-35.2	0	0	0	112.3	N76 L275 E277	P48-N76 WeakPolarHBondContact O-CB 3.49Å; P48-N76 PolarHBondContact O-ND2 3.33Å; P48-L275 CarbonylContact C-O 3.44Å; P48-L275 WeakPolarHBondContact CA-O 3.16Å; P48-L275 WeakPolarHBondContact CB-O 3.19Å; P48-E277 HydrophobicContact CG-CG 4.31Å
49	V	98.8	Very high	98.4	Very high	3 Å²	3	22.4 Å²	22.4	2%	0.018	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	142	179.5	63.4	0	0	0	0	112.3	V45 V51 N76 L78 I156 L275	V45-V49 HydrophobicContact CG1-CB 4.18Å; V45-V49 HydrophobicContact CG1-CG1 4.22Å; V45-V49 HydrophobicContact CG1-CG2 3.92Å; V49-V51 HydrophobicContact CG1-CG2 4.36Å; V49-N76 HydrophobicContact CB-CB 4.41Å; V49-N76 HydrophobicContact CG2-CB 4.35Å; V49-L78 HydrophobicContact CG2-CB 4.04Å; V49-I156 HydrophobicContact CG1-CD1 3.87Å; V49-I156 HydrophobicContact CG1-CG1 4.35Å; V49-I156 HydrophobicContact CG1-CG2 3.82Å; V49-L275 HydrophobicContact CG1-CB 4.21Å; V49-L275 HydrophobicContact CG1-CD1 4.09Å; V49-L275 PolarHBondContact N-O 3.41Å; V49-L275 PolarHBondContact O-N 3.17Å
50	T	98.9	Very high	98.3	Very high	5 Å²	5	23.5 Å²	23.5	3%	0.031	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	118.3	171.2	-58	0	0	0	0	109.8	T75 N76 Y77 L78 I272 L273 E274	T50-T75 VanDerWaalsContact OG1-CG2 3.31Å; T50-T75 WeakPolarHBondContact OG1-CG2 3.23Å; T50-N76 PolarHBondContact N-O 2.73Å; T50-Y77 HydrophobicContact CG2-CD1 3.98Å; T50-Y77 HydrophobicContact CG2-CE1 3.51Å; T50-Y77 CarbonylContact O-C 3.11Å; T50-Y77 WeakPolarHBondContact O-CA 3.38Å; T50-L78 PolarHBondContact O-N 2.73Å; T50-I272 HydrophobicContact CG2-CB 3.9Å; T50-I272 HydrophobicContact CG2-CD1 3.79Å; T50-I272 HydrophobicContact CG2-CG1 4.16Å; T50-I272 HydrophobicContact CG2-CG2 4.44Å; T50-L273 CarbonylContact C-O 3.55Å; T50-L273 WeakPolarHBondContact CA-O 3.12Å; T50-E274 HydrophobicContact CG2-CG 4.29Å
51	V	98.9	Very high	98.2	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	127.8	-178.9	-172.8	0	0	0	0	110	V49 L78 M80 I156 L273 L275	V49-V51 HydrophobicContact CG1-CG2 4.36Å; V51-L78 CarbonylContact C-O 3.48Å; V51-L78 WeakPolarHBondContact CA-O 3.32Å; V51-L78 HydrophobicContact CG1-CD2 4.06Å; V51-L78 HydrophobicContact CG1-CG 4.44Å; V51-L78 HydrophobicContact CG2-CB 4.39Å; V51-L78 HydrophobicContact CG2-CD2 4.23Å; V51-M80 HydrophobicContact CG1-CE 3.69Å; V51-M80 HydrophobicContact CG1-CG 4.03Å; V51-M80 HydrophobicContact CG1-SD 3.72Å; V51-I156 HydrophobicContact CG2-CD1 3.61Å; V51-L273 HydrophobicContact CB-CB 4.2Å; V51-L273 HydrophobicContact CB-CD2 4.3Å; V51-L273 HydrophobicContact CG2-CD2 4.31Å; V51-L273 PolarHBondContact N-O 3.36Å; V51-L273 PolarHBondContact O-N 2.88Å; V51-L275 HydrophobicContact CG2-CD1 4.13Å
52	C	98.9	Very high	98.2	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	140.9	-176.5	-51.3	0	0	0	0	110.6	L65 Y77 L78 F79 M80 I272	C52-L65 HydrophobicContact CB-CD1 4.17Å; C52-Y77 VanDerWaalsContact SG-CD1 3.59Å; C52-L78 PolarHBondContact N-O 2.81Å; C52-F79 HydrophobicContact CB-CD1 3.54Å; C52-F79 HydrophobicContact CB-CE1 3.75Å; C52-F79 HydrophobicContact CB-CG 4.13Å; C52-F79 HydrophobicContact CB-CZ 4.49Å; C52-M80 WeakPolarHBondContact O-CB 3.09Å; C52-M80 WeakPolarHBondContact O-CG 3.22Å; C52-M80 PolarHBondContact O-N 2.8Å; C52-I272 HydrophobicContact CB-CG2 4.32Å
53	G	98.8	Very high	98.1	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	13%	0.125	C	C	.	.			trans	-88.7	-150.5	171.3	0	0	0	0	0	112.6	S258	G53-S258 PolarHBondContact N-OG 2.76Å
54	D	98.9	Very high	98	Very high	1 Å²	1	26.3 Å²	26.3	1%	0.005	13%	0.125	C	C	.	.			trans	-58.6	141.5	-176.6	-56.3	26.3	0	0	0	112.4	H56 D82 H164 A237 H238 W257 S258 A259	D54-H56 IonicContact OD2-NE2 3.28Å; D54-D82 HydrophobicContact CB-CB 3.99Å; D54-H164 IonicContact OD1-CE1 2.82Å; D54-H164 PolarHBondContact OD1-CE1 3.29Å; D54-H164 IonicContact OD1-ND1 2.89Å; D54-H164 IonicContact OD2-CE1 3.61Å; D54-A237 WeakPolarHBondContact OD1-CB 3.48Å; D54-H238 PolarHBondContact OD1-N 3.35Å; D54-W257 HydrophobicContact CB-CD2 4.41Å; D54-W257 HydrophobicContact CB-CE3 4.03Å; D54-W257 HydrophobicContact CB-CH2 3.95Å; D54-W257 HydrophobicContact CB-CZ2 4.33Å; D54-W257 HydrophobicContact CB-CZ3 3.8Å; D54-W257 VanDerWaalsContact CG-CZ3 3.43Å; D54-W257 WeakPolarHBondContact OD2-CH2 3.18Å; D54-W257 WeakPolarHBondContact OD2-CZ3 3.43Å; D54-S258 CarbonylContact O-C 3.57Å; D54-S258 WeakPolarHBondContact O-CA 3.36Å; D54-S258 WeakPolarHBondContact O-CB 3.15Å; D54-S258 PolarHBondContact O-N 2.98Å; D54-A259 WeakPolarHBondContact O-CB 3.37Å; D54-A259 PolarHBondContact O-N 2.95Å
55	I	98.6	Very high	98	Very high	3 Å²	3	18.2 Å²	18.2	2%	0.015	9%	0.094	C	C	.	.			trans	-117.7	-35.9	179.5	-54.1	-62.4	0	0	0	112	G57 Q58 L62 L65 F79 D82 T93	I55-G57 PolarHBondContact O-N 3.44Å; I55-Q58 WeakPolarHBondContact O-CB 3.11Å; I55-Q58 WeakPolarHBondContact O-CG 3.47Å; I55-Q58 PolarHBondContact O-N 3.25Å; I55-Q58 VanDerWaalsContact O-N 3.1Å; I55-L62 HydrophobicContact CD1-CD1 4.32Å; I55-L62 HydrophobicContact CG2-CB 4.13Å; I55-L65 HydrophobicContact CD1-CD1 3.76Å; I55-F79 HydrophobicContact CD1-CD1 4.27Å; I55-F79 HydrophobicContact CD1-CE1 4.15Å; I55-F79 HydrophobicContact CG1-CD1 4.18Å; I55-F79 HydrophobicContact CG1-CE1 4.39Å; I55-D82 PolarHBondContact N-O 3.41Å; I55-T93 HydrophobicContact CB-CG2 4.37Å; I55-T93 HydrophobicContact CG2-CG2 3.61Å
56	H	98.2	Very high	98	Very high	3 Å²	3	18 Å²	18	1%	0.014	9%	0.092	C	C	.	.	T	Hydrogen-bonded Turn	trans	46.5	53.3	173.6	-79	-54.9	0	0	0	114.8	D54 Q58 D82 V84 D85 R86 G87 H115 W257 Y262	D54-H56 IonicContact OD2-NE2 3.28Å; H56-Q58 PolarHBondContact O-N 2.99Å; H56-D82 IonicContact CE1-OD2 3.76Å; H56-D82 PolarHBondContact CE1-OD2 2.8Å; H56-D82 VanDerWaalsContact CE1-OD2 3.23Å; H56-D82 PolarHBondContact N-O 2.68Å; H56-D82 IonicContact NE2-OD2 2.83Å; H56-D82 PolarHBondContact NE2-OD2 3.41Å; H56-V84 PolarHBondContact ND1-O 3.3Å; H56-D85 CarbonylContact C-O 3.53Å; H56-D85 WeakPolarHBondContact CA-O 3.18Å; H56-D85 WeakPolarHBondContact CB-O 3.32Å; H56-D85 VanDerWaalsContact O-O 3.08Å; H56-R86 HydrophobicContact CB-CB 4.26Å; H56-G87 WeakPolarHBondContact O-CA 3.26Å; H56-G87 PolarHBondContact O-N 3.15Å; H56-H115 AromaticContact CE1-CD2 3.52Å; H56-H115 AromaticContact CE1-CG 3.77Å; H56-H115 AromaticContact CE1-NE2 3.71Å; H56-W257 AromaticContact CD2-CH2 3.98Å; H56-Y262 HydrophobicContact CB-CD2 4.46Å; H56-Y262 HydrophobicContact CB-CE2 3.81Å; H56-Y262 AromaticContact CD2-CE2 3.17Å; H56-Y262 WeakPolarHBondContact CD2-CE2 3.29Å; H56-Y262 AromaticContact CD2-CZ 3.61Å; H56-Y262 PolarHBondContact CD2-OH 3.2Å; H56-Y262 AromaticContact CG-CE2 3.66Å; H56-Y262 AromaticContact NE2-CE2 3.82Å; H56-Y262 AromaticContact NE2-CZ 3.76Å; H56-Y262 PolarHBondContact NE2-OH 2.93Å
57	G	97.4	Very high	97.9	Very high	0 Å²	0	22 Å²	22	0%	0	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.9	17.7	175.4	0	0	0	0	0	115.1	I55 F59 F83 Y89	I55-G57 PolarHBondContact O-N 3.44Å; G57-F59 PolarHBondContact O-N 3.08Å; G57-F59 VanDerWaalsContact O-N 3.08Å; G57-F83 PolarHBondContact N-O 3.27Å; G57-Y89 CarbonylContact O-C 3.46Å; G57-Y89 WeakPolarHBondContact O-CA 3.3Å; G57-Y89 WeakPolarHBondContact O-CB 3.49Å; G57-Y89 PolarHBondContact O-N 3.28Å; G57-Y89 VanDerWaalsContact O-N 3.16Å
58	Q	96.8	Very high	97.9	Very high	5 Å²	5	22.4 Å²	22.4	2%	0.023	10%	0.103	C	C	.	.			trans	-85.4	64.4	176	-58.3	-163.9	164	0	0	110.8	I55 H56 Y60 D61 L62 P260	I55-Q58 WeakPolarHBondContact O-CB 3.11Å; I55-Q58 WeakPolarHBondContact O-CG 3.47Å; I55-Q58 PolarHBondContact O-N 3.25Å; I55-Q58 VanDerWaalsContact O-N 3.1Å; H56-Q58 PolarHBondContact O-N 2.99Å; Q58-Y60 VanDerWaalsContact C-N 3.29Å; Q58-Y60 PolarHBondContact O-N 3.25Å; Q58-Y60 VanDerWaalsContact O-N 3.13Å; Q58-D61 HydrophobicContact CB-CB 4.06Å; Q58-D61 WeakPolarHBondContact CB-OD2 3.23Å; Q58-D61 PolarHBondContact NE2-OD2 2.82Å; Q58-D61 WeakPolarHBondContact O-CA 3.23Å; Q58-D61 WeakPolarHBondContact O-CB 3.5Å; Q58-D61 PolarHBondContact O-N 2.92Å; Q58-L62 PolarHBondContact O-N 3.07Å; Q58-P260 PolarHBondContact NE2-O 3.25Å
59	F	97.4	Very high	97.8	Very high	1 Å²	1	19.9 Å²	19.9	0%	0.004	9%	0.087	C	C	.	.	H	α-helix	trans	-51.2	-40.9	-172	178.4	-90.9	0	0	0	115	L14 C17 G57 D61 L62 K63 Y89 E92 T93 L96	L14-F59 WeakPolarHBondContact O-CE2 3.36Å; L14-F59 WeakPolarHBondContact O-CZ 3.37Å; C17-F59 HydrophobicContact CB-CD1 3.81Å; C17-F59 HydrophobicContact CB-CE1 3.45Å; C17-F59 VanDerWaalsContact CB-CE1 3.45Å; C17-F59 HydrophobicContact CB-CZ 4.07Å; C17-F59 WeakPolarHBondContact SG-CD1 3.45Å; G57-F59 PolarHBondContact O-N 3.08Å; G57-F59 VanDerWaalsContact O-N 3.08Å; F59-D61 VanDerWaalsContact C-N 3.27Å; F59-D61 PolarHBondContact O-N 3.38Å; F59-L62 WeakPolarHBondContact O-CB 3.45Å; F59-L62 PolarHBondContact O-N 3.12Å; F59-K63 HydrophobicContact CD1-CD 4.16Å; F59-K63 HydrophobicContact CD1-CG 4.47Å; F59-K63 HydrophobicContact CE1-CD 3.42Å; F59-K63 VanDerWaalsContact CE1-CD 3.42Å; F59-K63 HydrophobicContact CE1-CG 3.94Å; F59-K63 HydrophobicContact CZ-CD 3.96Å; F59-K63 HydrophobicContact CZ-CG 4.2Å; F59-K63 PolarHBondContact O-N 3.08Å; F59-Y89 VanDerWaalsContact CB-CB 3.44Å; F59-Y89 HydrophobicContact CB-CG 4.12Å; F59-E92 HydrophobicContact CD2-CB 3.63Å; F59-E92 HydrophobicContact CE2-CB 3.94Å; F59-E92 HydrophobicContact CG-CB 4.22Å; F59-T93 WeakPolarHBondContact CA-OG1 3.48Å; F59-T93 PolarHBondContact N-OG1 2.84Å; F59-L96 HydrophobicContact CE2-CB 4.45Å; F59-L96 HydrophobicContact CE2-CD2 3.73Å; F59-L96 HydrophobicContact CZ-CD2 4.27Å
60	Y	96.5	Very high	97.8	Very high	42 Å²	42	21 Å²	21	17%	0.165	10%	0.099	C	C	.	.	H	α-helix	trans	-68.4	-29.8	179.1	-64.8	-80.8	0	0	0	112.5	Q58 K63 E64 Y89 T293 R294 G295	Q58-Y60 VanDerWaalsContact C-N 3.29Å; Q58-Y60 PolarHBondContact O-N 3.25Å; Q58-Y60 VanDerWaalsContact O-N 3.13Å; Y60-K63 PolarHBondContact O-N 2.86Å; Y60-E64 PolarHBondContact O-N 2.97Å; Y60-Y89 HydrophobicContact CD2-CD2 4.3Å; Y60-Y89 HydrophobicContact CD2-CE2 4.09Å; Y60-Y89 HydrophobicContact CE2-CD2 4.07Å; Y60-Y89 HydrophobicContact CE2-CE1 4.2Å; Y60-Y89 AromaticContact CE2-CE2 3.6Å; Y60-Y89 HydrophobicContact CE2-CE2 3.6Å; Y60-Y89 AromaticContact CE2-CZ 3.67Å; Y60-T293 WeakPolarHBondContact CD1-O 3.33Å; Y60-T293 WeakPolarHBondContact CE1-O 3.5Å; Y60-R294 HydrophobicContact CD2-CB 4.2Å; Y60-R294 HydrophobicContact CD2-CG 4.01Å; Y60-R294 HydrophobicContact CE2-CB 4.43Å; Y60-R294 HydrophobicContact CG-CG 4.1Å; Y60-G295 PolarHBondContact OH-N 2.91Å
61	D	97.2	Very high	97.7	Very high	4 Å²	4	23.6 Å²	23.6	2%	0.021	11%	0.113	C	C	.	.	H	α-helix	trans	-78.5	-30.3	174.5	-54.9	-38.1	0	0	0	110.9	Q58 F59 K63 E64 L65 P260 A289 R294	Q58-D61 HydrophobicContact CB-CB 4.06Å; Q58-D61 WeakPolarHBondContact CB-OD2 3.23Å; Q58-D61 PolarHBondContact NE2-OD2 2.82Å; Q58-D61 WeakPolarHBondContact O-CA 3.23Å; Q58-D61 WeakPolarHBondContact O-CB 3.5Å; Q58-D61 PolarHBondContact O-N 2.92Å; F59-D61 VanDerWaalsContact C-N 3.27Å; F59-D61 PolarHBondContact O-N 3.38Å; D61-K63 VanDerWaalsContact C-N 3.3Å; D61-K63 PolarHBondContact O-N 2.94Å; D61-E64 WeakPolarHBondContact O-CB 3.28Å; D61-E64 PolarHBondContact O-N 2.89Å; D61-L65 WeakPolarHBondContact O-CB 3.41Å; D61-L65 PolarHBondContact O-N 2.85Å; D61-P260 HydrophobicContact CB-CG 3.76Å; D61-A289 VanDerWaalsContact OD1-CB 3.28Å; D61-A289 WeakPolarHBondContact OD1-CB 3.02Å; D61-A289 PolarHBondContact OD1-N 2.8Å; D61-R294 IonicContact OD1-CZ 3.46Å; D61-R294 IonicContact OD1-NH2 3.41Å; D61-R294 PolarHBondContact OD1-NH2 3.29Å; D61-R294 IonicContact OD2-CZ 2.97Å; D61-R294 IonicContact OD2-NH2 3.84Å; D61-R294 PolarHBondContact OD2-NH2 2.85Å
62	L	98	Very high	97.7	Very high	2 Å²	2	23.9 Å²	23.9	1%	0.01	11%	0.114	C	C	.	.	H	α-helix	trans	-62.5	-36.9	167.8	177.7	64.1	0	0	0	111.8	I55 Q58 F59 E64 L65 F66 F79 T93 L96 L97	I55-L62 HydrophobicContact CD1-CD1 4.32Å; I55-L62 HydrophobicContact CG2-CB 4.13Å; Q58-L62 PolarHBondContact O-N 3.07Å; F59-L62 WeakPolarHBondContact O-CB 3.45Å; F59-L62 PolarHBondContact O-N 3.12Å; L62-E64 VanDerWaalsContact C-N 3.31Å; L62-L65 HydrophobicContact CD1-CD1 4.39Å; L62-L65 HydrophobicContact CD1-CD2 4.48Å; L62-L65 WeakPolarHBondContact O-CB 3.21Å; L62-L65 PolarHBondContact O-N 3.15Å; L62-F66 HydrophobicContact CD1-CD2 4.24Å; L62-F66 HydrophobicContact CD1-CE2 3.71Å; L62-F66 HydrophobicContact CD1-CZ 4.07Å; L62-F66 HydrophobicContact CD2-CE2 4.16Å; L62-F66 HydrophobicContact CG-CD2 4.15Å; L62-F66 HydrophobicContact CG-CE2 3.74Å; L62-F66 VanDerWaalsContact O-CD2 3.31Å; L62-F66 WeakPolarHBondContact O-CD2 3.13Å; L62-F66 PolarHBondContact O-N 2.94Å; L62-F66 VanDerWaalsContact O-N 3.09Å; L62-F79 HydrophobicContact CD1-CE1 3.82Å; L62-F79 HydrophobicContact CD1-CZ 4.12Å; L62-T93 HydrophobicContact CD2-CG2 4.09Å; L62-L96 HydrophobicContact CD2-CD2 4.27Å; L62-L97 HydrophobicContact CD1-CD2 4.28Å; L62-L97 HydrophobicContact CD2-CD1 4.47Å; L62-L97 HydrophobicContact CD2-CD2 4.18Å; L62-L97 HydrophobicContact CD2-CG 4.12Å
63	K	96.8	Very high	97.6	Very high	95 Å²	95	25.6 Å²	25.6	41%	0.413	13%	0.126	S	C	.	.	H	α-helix	trans	-64.6	-38.7	172.7	-73.1	-176.9	60.2	160.6	0	112	R15 F59 Y60 D61 F66 R67	R15-K63 PolarHBondContact O-NZ 3.47Å; F59-K63 HydrophobicContact CD1-CD 4.16Å; F59-K63 HydrophobicContact CD1-CG 4.47Å; F59-K63 HydrophobicContact CE1-CD 3.42Å; F59-K63 VanDerWaalsContact CE1-CD 3.42Å; F59-K63 HydrophobicContact CE1-CG 3.94Å; F59-K63 HydrophobicContact CZ-CD 3.96Å; F59-K63 HydrophobicContact CZ-CG 4.2Å; F59-K63 PolarHBondContact O-N 3.08Å; Y60-K63 PolarHBondContact O-N 2.86Å; D61-K63 VanDerWaalsContact C-N 3.3Å; D61-K63 PolarHBondContact O-N 2.94Å; K63-F66 PolarHBondContact O-N 3.05Å; K63-R67 WeakPolarHBondContact O-CB 3.2Å; K63-R67 PolarHBondContact O-N 2.72Å
64	E	96.6	Very high	97.5	Very high	40 Å²	40	32.8 Å²	32.8	19%	0.187	16%	0.159	C	C	.	.	H	α-helix	trans	-65.8	-41.3	175.1	-172.8	61.8	-171.1	0	0	111.2	Y60 D61 L62 F66 R67 V68 F286	Y60-E64 PolarHBondContact O-N 2.97Å; D61-E64 WeakPolarHBondContact O-CB 3.28Å; D61-E64 PolarHBondContact O-N 2.89Å; L62-E64 VanDerWaalsContact C-N 3.31Å; E64-F66 PolarHBondContact O-N 2.82Å; E64-R67 WeakPolarHBondContact O-CA 3.5Å; E64-R67 VanDerWaalsContact O-CB 3.27Å; E64-R67 WeakPolarHBondContact O-CB 3.2Å; E64-R67 PolarHBondContact O-N 3.13Å; E64-R67 IonicContact OE1-CZ 3.47Å; E64-R67 IonicContact OE1-NE 3.35Å; E64-R67 PolarHBondContact OE1-NE 2.9Å; E64-R67 IonicContact OE1-NH2 3.99Å; E64-R67 PolarHBondContact OE1-NH2 2.86Å; E64-R67 WeakPolarHBondContact OE2-CD 3.33Å; E64-R67 IonicContact OE2-CZ 3.88Å; E64-R67 IonicContact OE2-NE 3.44Å; E64-R67 PolarHBondContact OE2-NE 2.93Å; E64-R67 IonicContact OE2-NH2 2.68Å; E64-V68 WeakPolarHBondContact O-CG2 3.15Å; E64-V68 PolarHBondContact O-N 3.08Å; E64-F286 HydrophobicContact CB-CD2 4.38Å; E64-F286 HydrophobicContact CG-CD2 3.92Å
65	L	98.2	Very high	97.5	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-53.6	-51	173.1	-176.5	160.9	0	0	0	111.5	C52 I55 D61 L62 R67 V68 G69 Y77 F79 I272 F286	C52-L65 HydrophobicContact CB-CD1 4.17Å; I55-L65 HydrophobicContact CD1-CD1 3.76Å; D61-L65 WeakPolarHBondContact O-CB 3.41Å; D61-L65 PolarHBondContact O-N 2.85Å; L62-L65 HydrophobicContact CD1-CD1 4.39Å; L62-L65 HydrophobicContact CD1-CD2 4.48Å; L62-L65 WeakPolarHBondContact O-CB 3.21Å; L62-L65 PolarHBondContact O-N 3.15Å; L65-R67 VanDerWaalsContact C-N 3.28Å; L65-R67 PolarHBondContact O-N 2.81Å; L65-V68 WeakPolarHBondContact O-CG2 3.39Å; L65-V68 PolarHBondContact O-N 2.83Å; L65-G69 PolarHBondContact O-N 2.81Å; L65-Y77 HydrophobicContact CD2-CD1 4.48Å; L65-Y77 HydrophobicContact CD2-CE1 3.64Å; L65-F79 HydrophobicContact CD1-CE1 4.19Å; L65-F79 HydrophobicContact CD2-CE1 4.3Å; L65-F79 HydrophobicContact CD2-CZ 4.15Å; L65-I272 HydrophobicContact CD1-CG2 3.82Å; L65-I272 HydrophobicContact CD2-CG2 4.36Å; L65-I272 HydrophobicContact CG-CG2 3.75Å; L65-F286 HydrophobicContact CB-CE2 4.35Å; L65-F286 HydrophobicContact CB-CZ 3.98Å; L65-F286 HydrophobicContact CD1-CZ 4.29Å; L65-F286 HydrophobicContact CG-CZ 4.31Å
66	F	98	Very high	97.5	Very high	10 Å²	10	35.6 Å²	35.6	4%	0.044	18%	0.175	C	C	.	.	H	α-helix	trans	-66	-29	175.5	-70.5	-53	0	0	0	113.3	L62 K63 E64 G70 V72 Y77 F79 L96 L97 L100	L62-F66 HydrophobicContact CD1-CD2 4.24Å; L62-F66 HydrophobicContact CD1-CE2 3.71Å; L62-F66 HydrophobicContact CD1-CZ 4.07Å; L62-F66 HydrophobicContact CD2-CE2 4.16Å; L62-F66 HydrophobicContact CG-CD2 4.15Å; L62-F66 HydrophobicContact CG-CE2 3.74Å; L62-F66 VanDerWaalsContact O-CD2 3.31Å; L62-F66 WeakPolarHBondContact O-CD2 3.13Å; L62-F66 PolarHBondContact O-N 2.94Å; L62-F66 VanDerWaalsContact O-N 3.09Å; K63-F66 PolarHBondContact O-N 3.05Å; E64-F66 PolarHBondContact O-N 2.82Å; F66-G70 CarbonylContact O-C 3.21Å; F66-G70 WeakPolarHBondContact O-CA 3.19Å; F66-G70 PolarHBondContact O-N 2.89Å; F66-G70 VanDerWaalsContact O-N 3.15Å; F66-V72 HydrophobicContact CE1-CG2 4.27Å; F66-Y77 HydrophobicContact CD1-CE1 4.44Å; F66-Y77 AromaticContact CD1-CE2 3.91Å; F66-Y77 HydrophobicContact CD1-CE2 3.91Å; F66-Y77 AromaticContact CD1-CZ 3.79Å; F66-Y77 HydrophobicContact CE1-CD2 4.24Å; F66-Y77 HydrophobicContact CE1-CE1 4.37Å; F66-Y77 AromaticContact CE1-CE2 3.93Å; F66-Y77 HydrophobicContact CE1-CE2 3.93Å; F66-F79 HydrophobicContact CE1-CE2 4.41Å; F66-F79 AromaticContact CE1-CZ 3.97Å; F66-F79 HydrophobicContact CE1-CZ 3.97Å; F66-F79 HydrophobicContact CZ-CE2 4.42Å; F66-F79 AromaticContact CZ-CZ 3.92Å; F66-F79 HydrophobicContact CZ-CZ 3.92Å; F66-L96 HydrophobicContact CE2-CD2 4.41Å; F66-L97 HydrophobicContact CZ-CD2 4.08Å; F66-L100 HydrophobicContact CE2-CD1 4.1Å; F66-L100 HydrophobicContact CZ-CD1 3.76Å
67	R	96.8	Very high	97.6	Very high	166 Å²	166	35.6 Å²	35.6	63%	0.626	18%	0.175	S	C	*	.	H	α-helix	trans	-67.7	-38.5	175.8	-167.4	-166.3	70.1	71.6	-3.4	111.4	K63 E64 L65	K63-R67 WeakPolarHBondContact O-CB 3.2Å; K63-R67 PolarHBondContact O-N 2.72Å; E64-R67 WeakPolarHBondContact O-CA 3.5Å; E64-R67 VanDerWaalsContact O-CB 3.27Å; E64-R67 WeakPolarHBondContact O-CB 3.2Å; E64-R67 PolarHBondContact O-N 3.13Å; E64-R67 IonicContact OE1-CZ 3.47Å; E64-R67 IonicContact OE1-NE 3.35Å; E64-R67 PolarHBondContact OE1-NE 2.9Å; E64-R67 IonicContact OE1-NH2 3.99Å; E64-R67 PolarHBondContact OE1-NH2 2.86Å; E64-R67 WeakPolarHBondContact OE2-CD 3.33Å; E64-R67 IonicContact OE2-CZ 3.88Å; E64-R67 IonicContact OE2-NE 3.44Å; E64-R67 PolarHBondContact OE2-NE 2.93Å; E64-R67 IonicContact OE2-NH2 2.68Å; L65-R67 VanDerWaalsContact C-N 3.28Å; L65-R67 PolarHBondContact O-N 2.81Å
68	V	97.2	Very high	97.6	Very high	34 Å²	34	35.6 Å²	35.6	21%	0.206	18%	0.175	C	C	.	.	H	α-helix	trans	-89.4	-36	-175.2	-58.3	0	0	0	0	113	E64 L65 I272 I284 F286	E64-V68 WeakPolarHBondContact O-CG2 3.15Å; E64-V68 PolarHBondContact O-N 3.08Å; L65-V68 WeakPolarHBondContact O-CG2 3.39Å; L65-V68 PolarHBondContact O-N 2.83Å; V68-I272 HydrophobicContact CG2-CD1 4.01Å; V68-I284 HydrophobicContact CB-CG2 3.79Å; V68-I284 HydrophobicContact CG2-CG2 3.79Å; V68-I284 WeakPolarHBondContact O-CD1 3.48Å; V68-F286 HydrophobicContact CG1-CB 4.36Å; V68-F286 HydrophobicContact CG2-CB 4.31Å; V68-F286 HydrophobicContact CG2-CD1 4.05Å; V68-F286 HydrophobicContact CG2-CG 4.22Å
69	G	98	Very high	97.7	Very high	4 Å²	4	35.3 Å²	35.3	4%	0.041	17%	0.174	C	C	.	.	H	α-helix	trans	-91.8	-3.5	178.6	0	0	0	0	0	115.2	L65 T75 Y77	L65-G69 PolarHBondContact O-N 2.81Å; G69-T75 WeakPolarHBondContact O-CG2 3.29Å; G69-T75 PolarHBondContact O-OG1 2.53Å; G69-T75 VanDerWaalsContact O-OG1 3.1Å; G69-Y77 PolarHBondContact O-OH 3.43Å
70	G	98.1	Very high	97.8	Very high	26 Å²	26	35.3 Å²	35.3	27%	0.268	17%	0.174	S	C	.	.			trans	86.7	159.3	-174.1	0	0	0	0	0	113.3	F66 Y77	F66-G70 CarbonylContact O-C 3.21Å; F66-G70 WeakPolarHBondContact O-CA 3.19Å; F66-G70 PolarHBondContact O-N 2.89Å; F66-G70 VanDerWaalsContact O-N 3.15Å; G70-Y77 WeakPolarHBondContact O-CE2 3.22Å; G70-Y77 PolarHBondContact O-OH 3.32Å
71	D	97.4	Very high	97.9	Very high	60 Å²	60	33.3 Å²	33.3	32%	0.321	17%	0.166	S	C	.	.			trans	-95.2	160.4	-172.4	-149.9	-0.5	0	0	0	112.4	R15 E74 T75	R15-D71 IonicContact CZ-OD1 2.98Å; R15-D71 VanDerWaalsContact CZ-OD1 3.29Å; R15-D71 IonicContact CZ-OD2 2.63Å; R15-D71 VanDerWaalsContact CZ-OD2 3.32Å; R15-D71 IonicContact NH1-OD1 2.85Å; R15-D71 PolarHBondContact NH1-OD1 3.08Å; R15-D71 IonicContact NH1-OD2 3.71Å; R15-D71 PolarHBondContact NH1-OD2 2.84Å; R15-D71 IonicContact NH2-OD1 3.32Å; R15-D71 PolarHBondContact NH2-OD1 2.89Å; R15-D71 IonicContact NH2-OD2 3.9Å; R15-D71 PolarHBondContact NH2-OD2 3.3Å; D71-E74 PolarHBondContact O-N 3.49Å; D71-E74 VanDerWaalsContact O-N 3.13Å; D71-T75 PolarHBondContact O-N 2.86Å
72	V	97.2	Very high	98	Very high	6 Å²	6	33.2 Å²	33.2	4%	0.036	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.8	133.7	171.3	-176.2	0	0	0	0	108.3	F66 Y77 L100 Y104 R107	F66-V72 HydrophobicContact CE1-CG2 4.27Å; V72-Y77 HydrophobicContact CG2-CD2 3.61Å; V72-Y77 HydrophobicContact CG2-CE2 4Å; V72-L100 HydrophobicContact CB-CD2 4.49Å; V72-Y104 HydrophobicContact CB-CD2 4.42Å; V72-Y104 HydrophobicContact CG1-CD2 3.4Å; V72-Y104 HydrophobicContact CG1-CE2 4.05Å; V72-Y104 HydrophobicContact CG1-CG 3.77Å; V72-R107 HydrophobicContact CG1-CB 4.04Å
73	P	97.3	Very high	98	Very high	36 Å²	36	33.1 Å²	33.1	23%	0.234	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	cis	-98.1	3.4	15.6	38.1	-37.4	0	0	0	116.9	T75 Y104 R107	P73-T75 VanDerWaalsContact C-N 3.33Å; P73-Y104 HydrophobicContact CB-CD1 3.71Å; P73-Y104 HydrophobicContact CB-CE1 3.72Å; P73-Y104 HydrophobicContact CB-CG 4.19Å; P73-Y104 HydrophobicContact CG-CD1 4.27Å; P73-Y104 HydrophobicContact CG-CE1 3.75Å; P73-R107 HydrophobicContact CB-CG 4.17Å; P73-R107 PolarHBondContact O-NH1 3.26Å
74	E	98	Very high	98.1	Very high	150 Å²	150	28.6 Å²	28.6	70%	0.701	15%	0.145	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-37.4	-178.2	-67.4	70.7	-154.6	0	0	112.1	D71	D71-E74 PolarHBondContact O-N 3.49Å; D71-E74 VanDerWaalsContact O-N 3.13Å
75	T	98.3	Very high	98.2	Very high	31 Å²	31	26.7 Å²	26.7	19%	0.19	14%	0.136	C	C	.	.	S	Bend	trans	-105.6	137.2	174.5	-58.6	0	0	0	0	111	T50 G69 D71 P73 Y77	T50-T75 VanDerWaalsContact OG1-CG2 3.31Å; T50-T75 WeakPolarHBondContact OG1-CG2 3.23Å; G69-T75 WeakPolarHBondContact O-CG2 3.29Å; G69-T75 PolarHBondContact O-OG1 2.53Å; G69-T75 VanDerWaalsContact O-OG1 3.1Å; D71-T75 PolarHBondContact O-N 2.86Å; P73-T75 VanDerWaalsContact C-N 3.33Å; T75-Y77 HydrophobicContact CG2-CD2 4.05Å; T75-Y77 HydrophobicContact CG2-CE2 3.6Å
76	N	98.7	Very high	98	Very high	33 Å²	33	28.7 Å²	28.7	18%	0.176	14%	0.144	C	C	.	.			trans	-86.4	142.2	171	-57.8	-43.7	0	0	0	110.6	P48 V49 T50 R107	P48-N76 WeakPolarHBondContact O-CB 3.49Å; P48-N76 PolarHBondContact O-ND2 3.33Å; V49-N76 HydrophobicContact CB-CB 4.41Å; V49-N76 HydrophobicContact CG2-CB 4.35Å; T50-N76 PolarHBondContact N-O 2.73Å; N76-R107 CarbonylContact C-O 3.59Å; N76-R107 VanDerWaalsContact CA-O 3.25Å; N76-R107 WeakPolarHBondContact CA-O 3.35Å; N76-R107 WeakPolarHBondContact OD1-CD 3.23Å
77	Y	98.9	Very high	97.8	Very high	2 Å²	2	28.2 Å²	28.2	1%	0.008	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	144.6	-177	-81.9	-86.5	0	0	0	113.7	T50 C52 L65 F66 G69 G70 V72 T75 F79 R107 I108 T109	T50-Y77 HydrophobicContact CG2-CD1 3.98Å; T50-Y77 HydrophobicContact CG2-CE1 3.51Å; T50-Y77 CarbonylContact O-C 3.11Å; T50-Y77 WeakPolarHBondContact O-CA 3.38Å; C52-Y77 VanDerWaalsContact SG-CD1 3.59Å; L65-Y77 HydrophobicContact CD2-CD1 4.48Å; L65-Y77 HydrophobicContact CD2-CE1 3.64Å; F66-Y77 HydrophobicContact CD1-CE1 4.44Å; F66-Y77 AromaticContact CD1-CE2 3.91Å; F66-Y77 HydrophobicContact CD1-CE2 3.91Å; F66-Y77 AromaticContact CD1-CZ 3.79Å; F66-Y77 HydrophobicContact CE1-CD2 4.24Å; F66-Y77 HydrophobicContact CE1-CE1 4.37Å; F66-Y77 AromaticContact CE1-CE2 3.93Å; F66-Y77 HydrophobicContact CE1-CE2 3.93Å; G69-Y77 PolarHBondContact O-OH 3.43Å; G70-Y77 WeakPolarHBondContact O-CE2 3.22Å; G70-Y77 PolarHBondContact O-OH 3.32Å; V72-Y77 HydrophobicContact CG2-CD2 3.61Å; V72-Y77 HydrophobicContact CG2-CE2 4Å; T75-Y77 HydrophobicContact CG2-CD2 4.05Å; T75-Y77 HydrophobicContact CG2-CE2 3.6Å; Y77-F79 AromaticContact CD1-CE2 3.74Å; Y77-F79 HydrophobicContact CD1-CE2 3.74Å; Y77-F79 AromaticContact CD1-CZ 3.9Å; Y77-F79 HydrophobicContact CD1-CZ 3.9Å; Y77-F79 HydrophobicContact CE1-CZ 4.41Å; Y77-F79 AromaticContact CG-CE2 3.82Å; Y77-F79 HydrophobicContact CG-CE2 3.82Å; Y77-F79 HydrophobicContact CG-CZ 4.35Å; Y77-R107 PolarHBondContact N-O 3.21Å; Y77-I108 CarbonylContact O-C 3.09Å; Y77-I108 WeakPolarHBondContact O-CA 3.37Å; Y77-T109 PolarHBondContact O-N 2.77Å
78	L	98.9	Very high	97.6	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	113.5	163.5	173.2	70.2	0	0	0	108.7	V45 V49 T50 V51 C52 T109 I111 A154 I156 C162	V45-L78 HydrophobicContact CG2-CD1 4.39Å; V49-L78 HydrophobicContact CG2-CB 4.04Å; T50-L78 PolarHBondContact O-N 2.73Å; V51-L78 CarbonylContact C-O 3.48Å; V51-L78 WeakPolarHBondContact CA-O 3.32Å; V51-L78 HydrophobicContact CG1-CD2 4.06Å; V51-L78 HydrophobicContact CG1-CG 4.44Å; V51-L78 HydrophobicContact CG2-CB 4.39Å; V51-L78 HydrophobicContact CG2-CD2 4.23Å; C52-L78 PolarHBondContact N-O 2.81Å; L78-T109 WeakPolarHBondContact CA-O 3.45Å; L78-T109 HydrophobicContact CD1-CG2 3.49Å; L78-T109 VanDerWaalsContact CD1-CG2 3.49Å; L78-I111 HydrophobicContact CD1-CG2 4.18Å; L78-A154 HydrophobicContact CD1-CB 3.66Å; L78-A154 HydrophobicContact CD2-CB 4.05Å; L78-I156 HydrophobicContact CD2-CD1 3.94Å; L78-I156 HydrophobicContact CD2-CG1 4.27Å; L78-C162 HydrophobicContact CD2-CB 3.54Å; L78-C162 WeakPolarHBondContact CD2-SG 3.17Å
79	F	98.9	Very high	97.6	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	125.9	173.8	-68.7	-99.5	0	0	0	111	C52 I55 L62 L65 F66 Y77 G81 F83 L97 I108 T109 L110 I111	C52-F79 HydrophobicContact CB-CD1 3.54Å; C52-F79 HydrophobicContact CB-CE1 3.75Å; C52-F79 HydrophobicContact CB-CG 4.13Å; C52-F79 HydrophobicContact CB-CZ 4.49Å; I55-F79 HydrophobicContact CD1-CD1 4.27Å; I55-F79 HydrophobicContact CD1-CE1 4.15Å; I55-F79 HydrophobicContact CG1-CD1 4.18Å; I55-F79 HydrophobicContact CG1-CE1 4.39Å; L62-F79 HydrophobicContact CD1-CE1 3.82Å; L62-F79 HydrophobicContact CD1-CZ 4.12Å; L65-F79 HydrophobicContact CD1-CE1 4.19Å; L65-F79 HydrophobicContact CD2-CE1 4.3Å; L65-F79 HydrophobicContact CD2-CZ 4.15Å; F66-F79 HydrophobicContact CE1-CE2 4.41Å; F66-F79 AromaticContact CE1-CZ 3.97Å; F66-F79 HydrophobicContact CE1-CZ 3.97Å; F66-F79 HydrophobicContact CZ-CE2 4.42Å; F66-F79 AromaticContact CZ-CZ 3.92Å; F66-F79 HydrophobicContact CZ-CZ 3.92Å; Y77-F79 AromaticContact CD1-CE2 3.74Å; Y77-F79 HydrophobicContact CD1-CE2 3.74Å; Y77-F79 AromaticContact CD1-CZ 3.9Å; Y77-F79 HydrophobicContact CD1-CZ 3.9Å; Y77-F79 HydrophobicContact CE1-CZ 4.41Å; Y77-F79 AromaticContact CG-CE2 3.82Å; Y77-F79 HydrophobicContact CG-CE2 3.82Å; Y77-F79 HydrophobicContact CG-CZ 4.35Å; F79-G81 VanDerWaalsContact C-N 3.28Å; F79-G81 PolarHBondContact O-N 3.41Å; F79-F83 HydrophobicContact CB-CE1 3.67Å; F79-F83 HydrophobicContact CB-CZ 4.33Å; F79-L97 HydrophobicContact CD1-CD1 4.49Å; F79-L97 HydrophobicContact CD1-CD2 4.33Å; F79-L97 HydrophobicContact CD2-CD2 4.15Å; F79-L97 HydrophobicContact CE1-CD2 3.97Å; F79-L97 HydrophobicContact CE2-CD2 3.76Å; F79-L97 HydrophobicContact CG-CD2 4.42Å; F79-L97 HydrophobicContact CZ-CD2 3.68Å; F79-I108 HydrophobicContact CD2-CD1 3.98Å; F79-I108 HydrophobicContact CD2-CG1 4.03Å; F79-I108 HydrophobicContact CE2-CD1 3.74Å; F79-I108 HydrophobicContact CE2-CG1 4.11Å; F79-T109 PolarHBondContact N-O 2.81Å; F79-L110 HydrophobicContact CB-CD2 3.91Å; F79-L110 HydrophobicContact CD2-CD2 3.88Å; F79-L110 HydrophobicContact CG-CD2 4.15Å; F79-I111 WeakPolarHBondContact O-CG1 3.42Å; F79-I111 PolarHBondContact O-N 3.42Å
80	M	98.9	Very high	97.6	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	12%	0.117	C	C	.	.			trans	-87.6	32.6	-173.2	-62.6	-171.6	-66.7	0	0	114.5	V51 C52 I111 C162 H164 R236 A237 V256	V51-M80 HydrophobicContact CG1-CE 3.69Å; V51-M80 HydrophobicContact CG1-CG 4.03Å; V51-M80 HydrophobicContact CG1-SD 3.72Å; C52-M80 WeakPolarHBondContact O-CB 3.09Å; C52-M80 WeakPolarHBondContact O-CG 3.22Å; C52-M80 PolarHBondContact O-N 2.8Å; M80-I111 VanDerWaalsContact CA-CG1 3.49Å; M80-I111 HydrophobicContact CB-CD1 4.13Å; M80-I111 HydrophobicContact CB-CG1 4.34Å; M80-I111 HydrophobicContact CG-CD1 4.08Å; M80-C162 HydrophobicContact SD-CB 4.32Å; M80-H164 VanDerWaalsContact O-CB 3.27Å; M80-H164 WeakPolarHBondContact O-CB 3.4Å; M80-H164 VanDerWaalsContact O-CG 3.3Å; M80-H164 PolarHBondContact O-ND1 2.86Å; M80-R236 WeakPolarHBondContact CE-O 3.31Å; M80-A237 HydrophobicContact CB-CB 3.92Å; M80-A237 HydrophobicContact CE-CB 4.07Å; M80-V256 HydrophobicContact CE-CB 3.85Å; M80-V256 HydrophobicContact CE-CG2 4.22Å
81	G	98.8	Very high	97.6	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	11%	0.105	C	C	.	.	S	Bend	trans	87.1	-171.9	176.1	0	0	0	0	0	115.3	F79 I111	F79-G81 VanDerWaalsContact C-N 3.28Å; F79-G81 PolarHBondContact O-N 3.41Å; G81-I111 VanDerWaalsContact CA-O 3.23Å; G81-I111 WeakPolarHBondContact CA-O 3.44Å; G81-I111 PolarHBondContact N-O 2.9Å
82	D	98.8	Very high	97.6	Very high	2 Å²	2	18.8 Å²	18.8	1%	0.011	9%	0.091	C	C	.	.			trans	55	56	-179.2	-81.7	19.8	0	0	0	112	D54 I55 H56 G113 N114 H115 E116 H164	D54-D82 HydrophobicContact CB-CB 3.99Å; I55-D82 PolarHBondContact N-O 3.41Å; H56-D82 IonicContact CE1-OD2 3.76Å; H56-D82 PolarHBondContact CE1-OD2 2.8Å; H56-D82 VanDerWaalsContact CE1-OD2 3.23Å; H56-D82 PolarHBondContact N-O 2.68Å; H56-D82 IonicContact NE2-OD2 2.83Å; H56-D82 PolarHBondContact NE2-OD2 3.41Å; D82-G113 WeakPolarHBondContact OD1-CA 3.26Å; D82-N114 PolarHBondContact OD1-N 2.8Å; D82-N114 PolarHBondContact OD1-OD1 2.78Å; D82-N114 PolarHBondContact OD2-OD1 3.46Å; D82-H115 WeakPolarHBondContact OD1-CB 3.1Å; D82-H115 IonicContact OD1-CD2 2.68Å; D82-H115 IonicContact OD1-CG 2.78Å; D82-H115 PolarHBondContact OD1-N 3.22Å; D82-H115 IonicContact OD2-CD2 3.99Å; D82-H115 PolarHBondContact OD2-CD2 3.25Å; D82-H115 IonicContact OD2-CG 2.8Å; D82-E116 PolarHBondContact N-OE2 3.39Å; D82-H164 IonicContact OD1-CE1 2.61Å; D82-H164 PolarHBondContact OD1-CE1 3.41Å; D82-H164 IonicContact OD1-NE2 3.97Å; D82-H164 PolarHBondContact OD1-NE2 2.92Å; D82-H164 IonicContact OD2-CE1 3.79Å; D82-H164 PolarHBondContact OD2-CE1 3.36Å; D82-H164 IonicContact OD2-NE2 3.93Å
83	F	98.8	Very high	97.7	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	9%	0.09	C	C	.	.			trans	-77.9	-30.9	177.3	-44.7	-49.6	0	0	0	111.5	G57 F79 T93 F94 L97 L110 I111 E116 L150	G57-F83 PolarHBondContact N-O 3.27Å; F79-F83 HydrophobicContact CB-CE1 3.67Å; F79-F83 HydrophobicContact CB-CZ 4.33Å; F83-T93 HydrophobicContact CB-CG2 4.44Å; F83-T93 VanDerWaalsContact O-CG2 3.3Å; F83-T93 WeakPolarHBondContact O-CG2 3.49Å; F83-F94 HydrophobicContact CB-CB 4.49Å; F83-F94 HydrophobicContact CB-CD2 4.13Å; F83-F94 AromaticContact CD2-CD2 3.67Å; F83-F94 HydrophobicContact CD2-CD2 3.67Å; F83-F94 AromaticContact CD2-CE2 3.9Å; F83-F94 HydrophobicContact CD2-CE2 3.9Å; F83-F94 HydrophobicContact CE2-CE2 4.37Å; F83-F94 HydrophobicContact CG-CD2 4.21Å; F83-L97 HydrophobicContact CB-CD1 4.31Å; F83-L97 HydrophobicContact CD1-CD1 3.64Å; F83-L97 HydrophobicContact CE1-CD1 4.25Å; F83-L97 HydrophobicContact CG-CD1 4.05Å; F83-L110 HydrophobicContact CE1-CD2 4.46Å; F83-L110 HydrophobicContact CE2-CB 4.39Å; F83-L110 HydrophobicContact CZ-CB 4.01Å; F83-L110 HydrophobicContact CZ-CD2 4.23Å; F83-I111 WeakPolarHBondContact CZ-O 3.21Å; F83-E116 HydrophobicContact CD2-CG 3.91Å; F83-E116 HydrophobicContact CE2-CG 4.28Å; F83-E116 PolarHBondContact N-OE1 2.89Å; F83-L150 HydrophobicContact CE2-CD1 3.97Å
84	V	98.7	Very high	97.8	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	8%	0.079	C	C	.	.	S	Bend	trans	-111.7	177.8	-170	-57	0	0	0	0	112.9	H56 F94 H115 E116 T121 F126 F147	H56-V84 PolarHBondContact ND1-O 3.3Å; V84-F94 HydrophobicContact CG1-CB 3.87Å; V84-F94 HydrophobicContact CG1-CG 4.32Å; V84-H115 HydrophobicContact CG2-CB 4.29Å; V84-E116 PolarHBondContact N-OE1 2.89Å; V84-T121 HydrophobicContact CG2-CG2 3.73Å; V84-F126 HydrophobicContact CB-CB 4.11Å; V84-F126 HydrophobicContact CB-CD1 4.3Å; V84-F126 HydrophobicContact CB-CD2 4.08Å; V84-F126 HydrophobicContact CB-CG 3.92Å; V84-F126 HydrophobicContact CG1-CD1 4.29Å; V84-F126 HydrophobicContact CG1-CD2 4Å; V84-F126 HydrophobicContact CG1-CE1 4.28Å; V84-F126 HydrophobicContact CG1-CE2 3.96Å; V84-F126 HydrophobicContact CG1-CG 4.14Å; V84-F126 HydrophobicContact CG1-CZ 4.1Å; V84-F126 HydrophobicContact CG2-CB 4.34Å; V84-F126 HydrophobicContact CG2-CD1 4.32Å; V84-F126 HydrophobicContact CG2-CG 4.29Å; V84-F147 HydrophobicContact CG1-CZ 4.04Å; V84-F147 HydrophobicContact CG2-CE2 4.48Å; V84-F147 HydrophobicContact CG2-CZ 4.24Å
85	D	97.7	Very high	97.8	Very high	0 Å²	0	9.7 Å²	9.7	0%	0	5%	0.045	C	C	.	.	S	Bend	trans	65	166.2	-178	-68.6	-34.7	0	0	0	114.4	H56 G87 S90 H115 T121 Y124 G125 F126	H56-D85 CarbonylContact C-O 3.53Å; H56-D85 WeakPolarHBondContact CA-O 3.18Å; H56-D85 WeakPolarHBondContact CB-O 3.32Å; H56-D85 VanDerWaalsContact O-O 3.08Å; D85-G87 PolarHBondContact O-N 2.8Å; D85-S90 PolarHBondContact N-OG 3.26Å; D85-H115 WeakPolarHBondContact CB-ND1 3.27Å; D85-H115 IonicContact OD2-CE1 3.78Å; D85-H115 IonicContact OD2-CG 3.15Å; D85-H115 IonicContact OD2-ND1 3.88Å; D85-H115 PolarHBondContact OD2-ND1 2.7Å; D85-T121 WeakPolarHBondContact OD2-CA 3.48Å; D85-Y124 WeakPolarHBondContact CB-O 3.11Å; D85-Y124 VanDerWaalsContact OD1-C 3.23Å; D85-G125 PolarHBondContact OD1-N 3.13Å; D85-F126 WeakPolarHBondContact OD1-CB 3.3Å; D85-F126 PolarHBondContact OD1-N 3.36Å
86	R	94.4	Very high	97.8	Very high	42 Å²	42	8.3 Å²	8.3	16%	0.158	4%	0.037	C	C	.	.	S	Bend	trans	65.2	-64.4	-178	-43.3	-64.4	-173	146.1	6.4	112.5	H56 Y124 Y262 Y305 F306	H56-R86 HydrophobicContact CB-CB 4.26Å; R86-Y124 VanDerWaalsContact CZ-CE1 3.48Å; R86-Y124 PolarHBondContact N-O 3.37Å; R86-Y124 VanDerWaalsContact NH2-CE1 3.32Å; R86-Y262 HydrophobicContact CB-CE2 4.19Å; R86-Y262 HydrophobicContact CG-CE2 4.17Å; R86-Y262 WeakPolarHBondContact CG-OH 3.33Å; R86-Y305 PolarHBondContact NH1-O 2.68Å; R86-Y305 WeakPolarHBondContact O-CE2 3.45Å; R86-F306 WeakPolarHBondContact O-CE1 3.47Å; R86-F306 WeakPolarHBondContact O-CZ 3.47Å
87	G	93.5	Very high	97.8	Very high	1 Å²	1	6.7 Å²	6.7	1%	0.01	3%	0.028	C	C	.	.	S	Bend	trans	-64.7	161.6	177	0	0	0	0	0	113.9	H56 D85 Y89 S90 Y264	H56-G87 WeakPolarHBondContact O-CA 3.26Å; H56-G87 PolarHBondContact O-N 3.15Å; D85-G87 PolarHBondContact O-N 2.8Å; G87-Y89 VanDerWaalsContact C-N 3.32Å; G87-Y89 PolarHBondContact O-N 3.42Å; G87-S90 PolarHBondContact O-OG 3.25Å; G87-Y264 WeakPolarHBondContact CA-OH 3.16Å
88	F	92.9	Very high	97.8	Very high	51 Å²	51	6.6 Å²	6.6	22%	0.224	3%	0.028	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.7	-5.7	-178.8	-62.9	-65.4	0	0	0	115.1	K133 Y264 P297 F306	F88-K133 PolarHBondContact O-NZ 2.85Å; F88-Y264 HydrophobicContact CD2-CD2 4.42Å; F88-Y264 AromaticContact CD2-CE2 3.45Å; F88-Y264 HydrophobicContact CD2-CE2 3.45Å; F88-Y264 VanDerWaalsContact CD2-CE2 3.45Å; F88-Y264 AromaticContact CD2-CZ 3.69Å; F88-Y264 WeakPolarHBondContact CD2-OH 3.46Å; F88-Y264 AromaticContact CE2-CD2 3.85Å; F88-Y264 HydrophobicContact CE2-CD2 3.85Å; F88-Y264 AromaticContact CE2-CE2 3.28Å; F88-Y264 HydrophobicContact CE2-CE2 3.28Å; F88-Y264 AromaticContact CE2-CZ 3.97Å; F88-Y264 HydrophobicContact CG-CE2 4.46Å; F88-Y264 HydrophobicContact CZ-CE2 4.2Å; F88-Y264 PolarHBondContact N-OH 3.16Å; F88-P297 HydrophobicContact CD2-CB 4.09Å; F88-P297 HydrophobicContact CD2-CG 3.6Å; F88-P297 HydrophobicContact CE2-CB 4.13Å; F88-P297 HydrophobicContact CE2-CG 3.7Å; F88-P297 HydrophobicContact CG-CB 4.31Å; F88-P297 HydrophobicContact CG-CG 4.24Å; F88-P297 HydrophobicContact CZ-CB 4.38Å; F88-P297 HydrophobicContact CZ-CG 4.41Å; F88-F306 HydrophobicContact CD1-CZ 4.25Å; F88-F306 HydrophobicContact CD2-CZ 4.49Å; F88-F306 AromaticContact CE1-CE2 3.6Å; F88-F306 HydrophobicContact CE1-CE2 3.6Å; F88-F306 AromaticContact CE1-CZ 3.64Å; F88-F306 HydrophobicContact CE1-CZ 3.64Å; F88-F306 HydrophobicContact CE2-CE2 4.38Å; F88-F306 AromaticContact CE2-CZ 3.92Å; F88-F306 HydrophobicContact CE2-CZ 3.92Å; F88-F306 AromaticContact CZ-CE2 3.49Å; F88-F306 HydrophobicContact CZ-CE2 3.49Å; F88-F306 VanDerWaalsContact CZ-CE2 3.49Å; F88-F306 AromaticContact CZ-CZ 3.45Å; F88-F306 HydrophobicContact CZ-CZ 3.45Å; F88-F306 VanDerWaalsContact CZ-CZ 3.45Å
89	Y	96.4	Very high	97.8	Very high	32 Å²	32	6.6 Å²	6.6	13%	0.125	3%	0.028	C	C	.	.	T	Hydrogen-bonded Turn	trans	-129	33.5	-169.2	-55.5	-83.5	0	0	0	112.5	C17 G57 F59 Y60 G87 V91 E92 T93 E129 G295	C17-Y89 VanDerWaalsContact SG-CD1 3.56Å; G57-Y89 CarbonylContact O-C 3.46Å; G57-Y89 WeakPolarHBondContact O-CA 3.3Å; G57-Y89 WeakPolarHBondContact O-CB 3.49Å; G57-Y89 PolarHBondContact O-N 3.28Å; G57-Y89 VanDerWaalsContact O-N 3.16Å; F59-Y89 VanDerWaalsContact CB-CB 3.44Å; F59-Y89 HydrophobicContact CB-CG 4.12Å; Y60-Y89 HydrophobicContact CD2-CD2 4.3Å; Y60-Y89 HydrophobicContact CD2-CE2 4.09Å; Y60-Y89 HydrophobicContact CE2-CD2 4.07Å; Y60-Y89 HydrophobicContact CE2-CE1 4.2Å; Y60-Y89 AromaticContact CE2-CE2 3.6Å; Y60-Y89 HydrophobicContact CE2-CE2 3.6Å; Y60-Y89 AromaticContact CE2-CZ 3.67Å; G87-Y89 VanDerWaalsContact C-N 3.32Å; G87-Y89 PolarHBondContact O-N 3.42Å; Y89-V91 PolarHBondContact O-N 3.36Å; Y89-E92 WeakPolarHBondContact CA-OE2 3.48Å; Y89-E92 WeakPolarHBondContact CB-OE2 3.34Å; Y89-E92 PolarHBondContact O-N 3.42Å; Y89-T93 VanDerWaalsContact O-CB 3.29Å; Y89-T93 WeakPolarHBondContact O-CB 3.35Å; Y89-T93 PolarHBondContact O-N 3.38Å; Y89-T93 PolarHBondContact O-OG1 3.42Å; Y89-E129 WeakPolarHBondContact CA-OE1 3.32Å; Y89-G295 PolarHBondContact OH-O 3.16Å
90	S	98.2	Very high	97.8	Very high	0 Å²	0	6.7 Å²	6.7	0%	0	3%	0.028	C	C	.	.	H	α-helix	trans	-59.6	-36.2	177.7	-55.2	0	0	0	0	112.3	D85 G87 F94 E129	D85-S90 PolarHBondContact N-OG 3.26Å; G87-S90 PolarHBondContact O-OG 3.25Å; S90-F94 WeakPolarHBondContact O-CB 3.27Å; S90-F94 PolarHBondContact O-N 3.16Å; S90-E129 WeakPolarHBondContact CB-OE2 3.18Å; S90-E129 VanDerWaalsContact N-CD 3.32Å; S90-E129 PolarHBondContact N-OE1 3.03Å; S90-E129 PolarHBondContact N-OE2 2.77Å; S90-E129 PolarHBondContact OG-OE2 3.44Å; S90-E129 VanDerWaalsContact OG-OE2 3.1Å
91	V	98.3	Very high	97.8	Very high	2 Å²	2	6.7 Å²	6.7	1%	0.012	3%	0.028	C	C	.	.	H	α-helix	trans	-62	-53.2	176.7	169.1	0	0	0	0	110.7	L19 Y89 L95 F126 E129 K133 Y134	L19-V91 HydrophobicContact CD2-CB 4.49Å; L19-V91 HydrophobicContact CD2-CG1 3.56Å; Y89-V91 PolarHBondContact O-N 3.36Å; V91-L95 HydrophobicContact CG1-CD1 3.76Å; V91-L95 HydrophobicContact CG1-CG 4.48Å; V91-L95 VanDerWaalsContact O-CB 3.24Å; V91-L95 WeakPolarHBondContact O-CB 3.38Å; V91-L95 WeakPolarHBondContact O-CG 3.27Å; V91-L95 PolarHBondContact O-N 2.62Å; V91-F126 HydrophobicContact CG2-CD2 4.31Å; V91-F126 HydrophobicContact CG2-CE2 3.8Å; V91-E129 WeakPolarHBondContact CB-OE1 3.36Å; V91-E129 HydrophobicContact CG2-CG 4.03Å; V91-E129 WeakPolarHBondContact CG2-OE1 3.41Å; V91-E129 PolarHBondContact N-OE1 3.2Å; V91-K133 HydrophobicContact CB-CD 4.16Å; V91-K133 HydrophobicContact CG1-CD 4.49Å; V91-K133 HydrophobicContact CG2-CD 4.21Å; V91-Y134 HydrophobicContact CG1-CE2 3.69Å
92	E	98.3	Very high	97.8	Very high	7 Å²	7	7.6 Å²	7.6	3%	0.033	3%	0.033	C	C	.	.	H	α-helix	trans	-66.2	-41.1	-179.2	-61.6	83.8	171.9	0	0	110.7	L19 F59 Y89 L96 K133	L19-E92 HydrophobicContact CD2-CG 4.05Å; L19-E92 WeakPolarHBondContact CD2-OE1 3.32Å; F59-E92 HydrophobicContact CD2-CB 3.63Å; F59-E92 HydrophobicContact CE2-CB 3.94Å; F59-E92 HydrophobicContact CG-CB 4.22Å; Y89-E92 WeakPolarHBondContact CA-OE2 3.48Å; Y89-E92 WeakPolarHBondContact CB-OE2 3.34Å; Y89-E92 PolarHBondContact O-N 3.42Å; E92-L96 WeakPolarHBondContact O-CB 3.5Å; E92-L96 PolarHBondContact O-N 2.81Å; E92-K133 WeakPolarHBondContact OE1-CE 3.49Å; E92-K133 IonicContact OE1-NZ 3.5Å; E92-K133 PolarHBondContact OE1-NZ 2.98Å; E92-K133 IonicContact OE2-NZ 3.75Å; E92-K133 PolarHBondContact OE2-NZ 3.22Å
93	T	98.7	Very high	97.7	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-57.7	-57.4	176.3	-71.1	0	0	0	0	111.4	I55 F59 L62 F83 Y89 L96 L97	I55-T93 HydrophobicContact CB-CG2 4.37Å; I55-T93 HydrophobicContact CG2-CG2 3.61Å; F59-T93 WeakPolarHBondContact CA-OG1 3.48Å; F59-T93 PolarHBondContact N-OG1 2.84Å; L62-T93 HydrophobicContact CD2-CG2 4.09Å; F83-T93 HydrophobicContact CB-CG2 4.44Å; F83-T93 VanDerWaalsContact O-CG2 3.3Å; F83-T93 WeakPolarHBondContact O-CG2 3.49Å; Y89-T93 VanDerWaalsContact O-CB 3.29Å; Y89-T93 WeakPolarHBondContact O-CB 3.35Å; Y89-T93 PolarHBondContact O-N 3.38Å; Y89-T93 PolarHBondContact O-OG1 3.42Å; T93-L96 PolarHBondContact O-N 2.89Å; T93-L97 HydrophobicContact CG2-CD1 4.27Å; T93-L97 WeakPolarHBondContact O-CG 3.32Å; T93-L97 PolarHBondContact O-N 2.79Å; T93-L97 VanDerWaalsContact O-N 3.11Å
94	F	98.9	Very high	97.7	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-67.4	-42.5	-176	-179.3	-113.1	0	0	0	111.8	F83 V84 S90 L96 L97 L98 C143 I146 F147	F83-F94 HydrophobicContact CB-CB 4.49Å; F83-F94 HydrophobicContact CB-CD2 4.13Å; F83-F94 AromaticContact CD2-CD2 3.67Å; F83-F94 HydrophobicContact CD2-CD2 3.67Å; F83-F94 AromaticContact CD2-CE2 3.9Å; F83-F94 HydrophobicContact CD2-CE2 3.9Å; F83-F94 HydrophobicContact CE2-CE2 4.37Å; F83-F94 HydrophobicContact CG-CD2 4.21Å; V84-F94 HydrophobicContact CG1-CB 3.87Å; V84-F94 HydrophobicContact CG1-CG 4.32Å; S90-F94 WeakPolarHBondContact O-CB 3.27Å; S90-F94 PolarHBondContact O-N 3.16Å; F94-L96 VanDerWaalsContact C-N 3.32Å; F94-L96 PolarHBondContact O-N 3.31Å; F94-L97 PolarHBondContact O-N 2.56Å; F94-L98 HydrophobicContact CE1-CD2 4.02Å; F94-L98 HydrophobicContact CZ-CD1 4.22Å; F94-L98 HydrophobicContact CZ-CD2 4.22Å; F94-L98 VanDerWaalsContact O-CB 3.25Å; F94-L98 WeakPolarHBondContact O-CB 3.28Å; F94-L98 PolarHBondContact O-N 3Å; F94-C143 HydrophobicContact CD1-CB 3.98Å; F94-C143 HydrophobicContact CE1-CB 3.8Å; F94-I146 HydrophobicContact CZ-CB 4.45Å; F94-I146 HydrophobicContact CZ-CG2 3.99Å; F94-F147 AromaticContact CD1-CE1 3.91Å; F94-F147 HydrophobicContact CD1-CE1 3.91Å; F94-F147 AromaticContact CD2-CE1 3.97Å; F94-F147 HydrophobicContact CD2-CE1 3.97Å; F94-F147 HydrophobicContact CE1-CD1 4.19Å; F94-F147 AromaticContact CE1-CE1 3.54Å; F94-F147 HydrophobicContact CE1-CE1 3.54Å; F94-F147 HydrophobicContact CE1-CZ 4.43Å; F94-F147 HydrophobicContact CE2-CD1 4.06Å; F94-F147 AromaticContact CE2-CE1 3.61Å; F94-F147 HydrophobicContact CE2-CE1 3.61Å; F94-F147 HydrophobicContact CG-CE1 4.12Å; F94-F147 AromaticContact CZ-CD1 3.71Å; F94-F147 HydrophobicContact CZ-CD1 3.71Å; F94-F147 AromaticContact CZ-CE1 3.38Å; F94-F147 HydrophobicContact CZ-CE1 3.38Å
95	L	98.8	Very high	97.6	Very high	1 Å²	1	15.6 Å²	15.6	1%	0.005	7%	0.07	C	C	.	.	H	α-helix	trans	-65.3	-35.3	178.9	-66.8	178.3	0	0	0	112.2	L14 I20 V25 L28 V91 A99	L14-L95 HydrophobicContact CD1-CB 4Å; L14-L95 HydrophobicContact CD2-CB 3.82Å; L14-L95 HydrophobicContact CD2-CD1 4.42Å; I20-L95 HydrophobicContact CD1-CD1 4.47Å; I20-L95 HydrophobicContact CG1-CD1 4.17Å; V25-L95 HydrophobicContact CG1-CD2 3.86Å; V25-L95 HydrophobicContact CG2-CD1 3.82Å; V25-L95 HydrophobicContact CG2-CD2 4.27Å; L28-L95 HydrophobicContact CD2-CD2 4.24Å; V91-L95 HydrophobicContact CG1-CD1 3.76Å; V91-L95 HydrophobicContact CG1-CG 4.48Å; V91-L95 VanDerWaalsContact O-CB 3.24Å; V91-L95 WeakPolarHBondContact O-CB 3.38Å; V91-L95 WeakPolarHBondContact O-CG 3.27Å; V91-L95 PolarHBondContact O-N 2.62Å; L95-A99 WeakPolarHBondContact O-CB 2.94Å; L95-A99 PolarHBondContact O-N 2.95Å
96	L	98.8	Very high	97.6	Very high	1 Å²	1	22.6 Å²	22.6	1%	0.005	11%	0.107	C	C	.	.	H	α-helix	trans	-64.3	-51	174.5	177	59	0	0	0	111	I11 L14 R15 F59 L62 F66 E92 T93 F94 L98 A99 L100	I11-L96 HydrophobicContact CG2-CD1 4.31Å; L14-L96 HydrophobicContact CB-CB 4.19Å; L14-L96 HydrophobicContact CB-CD1 4.1Å; R15-L96 HydrophobicContact CG-CD1 3.81Å; R15-L96 HydrophobicContact CG-CD2 4.33Å; F59-L96 HydrophobicContact CE2-CB 4.45Å; F59-L96 HydrophobicContact CE2-CD2 3.73Å; F59-L96 HydrophobicContact CZ-CD2 4.27Å; L62-L96 HydrophobicContact CD2-CD2 4.27Å; F66-L96 HydrophobicContact CE2-CD2 4.41Å; E92-L96 WeakPolarHBondContact O-CB 3.5Å; E92-L96 PolarHBondContact O-N 2.81Å; T93-L96 PolarHBondContact O-N 2.89Å; F94-L96 VanDerWaalsContact C-N 3.32Å; F94-L96 PolarHBondContact O-N 3.31Å; L96-L98 VanDerWaalsContact C-N 3.28Å; L96-L98 PolarHBondContact O-N 3.41Å; L96-A99 PolarHBondContact O-N 2.85Å; L96-L100 HydrophobicContact CD1-CD1 4.12Å; L96-L100 HydrophobicContact CD1-CG 4.2Å; L96-L100 HydrophobicContact CG-CD1 4.12Å; L96-L100 VanDerWaalsContact O-CG 3.31Å; L96-L100 WeakPolarHBondContact O-CG 3.15Å; L96-L100 PolarHBondContact O-N 3.45Å
97	L	98.9	Very high	97.8	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-59.4	-41.5	178.1	-68.9	174.2	0	0	0	111.4	L62 F66 F79 F83 T93 F94 L100 K101 I108 L110	L62-L97 HydrophobicContact CD1-CD2 4.28Å; L62-L97 HydrophobicContact CD2-CD1 4.47Å; L62-L97 HydrophobicContact CD2-CD2 4.18Å; L62-L97 HydrophobicContact CD2-CG 4.12Å; F66-L97 HydrophobicContact CZ-CD2 4.08Å; F79-L97 HydrophobicContact CD1-CD1 4.49Å; F79-L97 HydrophobicContact CD1-CD2 4.33Å; F79-L97 HydrophobicContact CD2-CD2 4.15Å; F79-L97 HydrophobicContact CE1-CD2 3.97Å; F79-L97 HydrophobicContact CE2-CD2 3.76Å; F79-L97 HydrophobicContact CG-CD2 4.42Å; F79-L97 HydrophobicContact CZ-CD2 3.68Å; F83-L97 HydrophobicContact CB-CD1 4.31Å; F83-L97 HydrophobicContact CD1-CD1 3.64Å; F83-L97 HydrophobicContact CE1-CD1 4.25Å; F83-L97 HydrophobicContact CG-CD1 4.05Å; T93-L97 HydrophobicContact CG2-CD1 4.27Å; T93-L97 WeakPolarHBondContact O-CG 3.32Å; T93-L97 PolarHBondContact O-N 2.79Å; T93-L97 VanDerWaalsContact O-N 3.11Å; F94-L97 PolarHBondContact O-N 2.56Å; L97-L100 PolarHBondContact O-N 2.83Å; L97-K101 WeakPolarHBondContact O-CB 3.49Å; L97-K101 PolarHBondContact O-N 3.13Å; L97-I108 HydrophobicContact CD2-CD1 4.13Å; L97-L110 HydrophobicContact CB-CD1 4.26Å; L97-L110 HydrophobicContact CB-CD2 4.26Å
98	L	98.8	Very high	98	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-66.6	-41.4	177.6	-165.2	66.1	0	0	0	112.3	L28 A32 F94 L96 K101 V102 I146	L28-L98 HydrophobicContact CD2-CB 4.38Å; L28-L98 HydrophobicContact CD2-CD2 4.27Å; L28-L98 HydrophobicContact CD2-CG 4.46Å; L28-L98 HydrophobicContact CG-CD2 4.1Å; L28-L98 HydrophobicContact CG-CG 4.28Å; A32-L98 HydrophobicContact CB-CD1 3.45Å; A32-L98 VanDerWaalsContact CB-CD1 3.45Å; A32-L98 HydrophobicContact CB-CD2 4.09Å; A32-L98 HydrophobicContact CB-CG 3.81Å; F94-L98 HydrophobicContact CE1-CD2 4.02Å; F94-L98 HydrophobicContact CZ-CD1 4.22Å; F94-L98 HydrophobicContact CZ-CD2 4.22Å; F94-L98 VanDerWaalsContact O-CB 3.25Å; F94-L98 WeakPolarHBondContact O-CB 3.28Å; F94-L98 PolarHBondContact O-N 3Å; L96-L98 VanDerWaalsContact C-N 3.28Å; L96-L98 PolarHBondContact O-N 3.41Å; L98-K101 WeakPolarHBondContact O-CB 3.3Å; L98-K101 PolarHBondContact O-N 3.32Å; L98-V102 WeakPolarHBondContact O-CG2 3.38Å; L98-V102 PolarHBondContact O-N 3.47Å; L98-I146 HydrophobicContact CD1-CG2 3.82Å; L98-I146 HydrophobicContact CD2-CG2 4.3Å
99	A	98.7	Very high	98.3	Very high	0 Å²	0	24 Å²	24	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-64.5	-41.1	176.1	0	0	0	0	0	111.9	L7 I11 L14 L28 L95 L96 K101 V102 R103	L7-A99 HydrophobicContact CD1-CB 4.17Å; I11-A99 HydrophobicContact CD1-CB 4.41Å; I11-A99 HydrophobicContact CG1-CB 3.63Å; L14-A99 HydrophobicContact CD1-CB 4.06Å; L28-A99 HydrophobicContact CD1-CB 4.12Å; L28-A99 HydrophobicContact CD2-CB 4.06Å; L95-A99 WeakPolarHBondContact O-CB 2.94Å; L95-A99 PolarHBondContact O-N 2.95Å; L96-A99 PolarHBondContact O-N 2.85Å; A99-K101 VanDerWaalsContact C-N 3.34Å; A99-V102 PolarHBondContact O-N 2.99Å; A99-R103 VanDerWaalsContact O-CB 3.27Å; A99-R103 WeakPolarHBondContact O-CB 3.25Å; A99-R103 PolarHBondContact O-N 3.3Å
100	L	98.6	Very high	98.4	Very high	1 Å²	1	22.5 Å²	22.5	1%	0.005	11%	0.106	C	C	.	.	H	α-helix	trans	-62.4	-41.3	172.4	-68.3	171.1	0	0	0	111.3	I11 F66 V72 L96 L97 R103 Y104 I108	I11-L100 HydrophobicContact CD1-CD2 4.37Å; I11-L100 HydrophobicContact CG2-CD2 4.06Å; F66-L100 HydrophobicContact CE2-CD1 4.1Å; F66-L100 HydrophobicContact CZ-CD1 3.76Å; V72-L100 HydrophobicContact CB-CD2 4.49Å; L96-L100 HydrophobicContact CD1-CD1 4.12Å; L96-L100 HydrophobicContact CD1-CG 4.2Å; L96-L100 HydrophobicContact CG-CD1 4.12Å; L96-L100 VanDerWaalsContact O-CG 3.31Å; L96-L100 WeakPolarHBondContact O-CG 3.15Å; L96-L100 PolarHBondContact O-N 3.45Å; L97-L100 PolarHBondContact O-N 2.83Å; L100-R103 PolarHBondContact O-N 3.03Å; L100-Y104 HydrophobicContact CD2-CD2 4.34Å; L100-Y104 HydrophobicContact CD2-CE2 4.31Å; L100-Y104 PolarHBondContact O-N 3.4Å; L100-I108 HydrophobicContact CB-CD1 4.15Å
101	K	98.5	Very high	98.4	Very high	1 Å²	1	22.5 Å²	22.5	0%	0.004	11%	0.106	C	C	.	.	H	α-helix	trans	-59.9	-46.1	174.3	178.8	62.6	-178.2	177.9	0	112.8	E39 L97 L98 A99 R103 Y104 P105 I108 L110	E39-K101 WeakPolarHBondContact OE1-CE 3.27Å; E39-K101 IonicContact OE1-NZ 2.97Å; E39-K101 PolarHBondContact OE1-NZ 3.22Å; L97-K101 WeakPolarHBondContact O-CB 3.49Å; L97-K101 PolarHBondContact O-N 3.13Å; L98-K101 WeakPolarHBondContact O-CB 3.3Å; L98-K101 PolarHBondContact O-N 3.32Å; A99-K101 VanDerWaalsContact C-N 3.34Å; K101-R103 VanDerWaalsContact C-N 3.29Å; K101-R103 PolarHBondContact O-N 3.07Å; K101-Y104 CarbonylContact O-C 3.51Å; K101-P105 PolarHBondContact NZ-O 3.37Å; K101-P105 WeakPolarHBondContact O-CA 3.36Å; K101-P105 VanDerWaalsContact O-N 3.15Å; K101-I108 HydrophobicContact CB-CG2 3.89Å; K101-I108 HydrophobicContact CD-CG2 3.9Å; K101-I108 WeakPolarHBondContact CD-O 3.49Å; K101-I108 WeakPolarHBondContact CE-O 3.36Å; K101-I108 PolarHBondContact NZ-O 3.16Å; K101-L110 HydrophobicContact CB-CD1 3.99Å; K101-L110 HydrophobicContact CG-CD1 4.4Å
102	V	98.4	Very high	98.5	Very high	18 Å²	18	22.4 Å²	22.4	11%	0.109	11%	0.105	C	C	.	.	H	α-helix	trans	-66	-35.8	177.7	175	0	0	0	0	111.3	L7 L28 K31 A32 I35 L98 A99	L7-V102 HydrophobicContact CD2-CB 4.2Å; L7-V102 HydrophobicContact CD2-CG1 3.7Å; L28-V102 HydrophobicContact CD1-CB 4.02Å; L28-V102 HydrophobicContact CD1-CG1 4.49Å; L28-V102 HydrophobicContact CD1-CG2 3.72Å; K31-V102 HydrophobicContact CB-CG1 3.74Å; K31-V102 HydrophobicContact CB-CG2 4.2Å; K31-V102 HydrophobicContact CD-CG1 4.09Å; A32-V102 HydrophobicContact CB-CG2 3.72Å; I35-V102 HydrophobicContact CD1-CB 4.32Å; I35-V102 HydrophobicContact CD1-CG1 4.33Å; I35-V102 HydrophobicContact CD1-CG2 4.23Å; L98-V102 WeakPolarHBondContact O-CG2 3.38Å; L98-V102 PolarHBondContact O-N 3.47Å; A99-V102 PolarHBondContact O-N 2.99Å
103	R	97.9	Very high	98.5	Very high	76 Å²	76	22 Å²	22	29%	0.287	10%	0.104	S	C	.	.	H	α-helix	trans	-78.6	-33.3	-177.1	-178.3	58.1	-176.6	75.5	5.6	113.7	L7 D8 I11 A99 L100 K101	L7-R103 HydrophobicContact CD2-CB 3.7Å; L7-R103 HydrophobicContact CD2-CG 4.4Å; L7-R103 HydrophobicContact CG-CB 4.25Å; D8-R103 WeakPolarHBondContact OD1-CD 3.47Å; D8-R103 IonicContact OD1-CZ 3.91Å; D8-R103 IonicContact OD1-NE 2.62Å; D8-R103 PolarHBondContact OD1-NE 3.24Å; D8-R103 IonicContact OD1-NH2 2.77Å; D8-R103 IonicContact OD2-NE 3.54Å; I11-R103 HydrophobicContact CD1-CB 3.57Å; I11-R103 HydrophobicContact CD1-CG 3.75Å; A99-R103 VanDerWaalsContact O-CB 3.27Å; A99-R103 WeakPolarHBondContact O-CB 3.25Å; A99-R103 PolarHBondContact O-N 3.3Å; L100-R103 PolarHBondContact O-N 3.03Å; K101-R103 VanDerWaalsContact C-N 3.29Å; K101-R103 PolarHBondContact O-N 3.07Å
104	Y	97.9	Very high	98.5	Very high	50 Å²	50	22.2 Å²	22.2	20%	0.196	11%	0.105	C	C	.	.			trans	-136.1	63.2	-174.5	-53	-70.7	0	0	0	110.6	V72 P73 L100 K101 D106 R107 I108	V72-Y104 HydrophobicContact CB-CD2 4.42Å; V72-Y104 HydrophobicContact CG1-CD2 3.4Å; V72-Y104 HydrophobicContact CG1-CE2 4.05Å; V72-Y104 HydrophobicContact CG1-CG 3.77Å; P73-Y104 HydrophobicContact CB-CD1 3.71Å; P73-Y104 HydrophobicContact CB-CE1 3.72Å; P73-Y104 HydrophobicContact CB-CG 4.19Å; P73-Y104 HydrophobicContact CG-CD1 4.27Å; P73-Y104 HydrophobicContact CG-CE1 3.75Å; L100-Y104 HydrophobicContact CD2-CD2 4.34Å; L100-Y104 HydrophobicContact CD2-CE2 4.31Å; L100-Y104 PolarHBondContact O-N 3.4Å; K101-Y104 CarbonylContact O-C 3.51Å; Y104-D106 PolarHBondContact O-N 3.36Å; Y104-D106 VanDerWaalsContact O-N 3.08Å; Y104-R107 PolarHBondContact O-N 3.05Å; Y104-I108 PolarHBondContact O-N 3.03Å
105	P	97.5	Very high	98.5	Very high	44 Å²	44	22.7 Å²	22.7	29%	0.286	11%	0.107	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-29.4	-171.6	22.5	-34.2	0	0	0	114	I35 K101	I35-P105 HydrophobicContact CD1-CB 4.35Å; I35-P105 HydrophobicContact CG2-CB 4Å; K101-P105 PolarHBondContact NZ-O 3.37Å; K101-P105 WeakPolarHBondContact O-CA 3.36Å; K101-P105 VanDerWaalsContact O-N 3.15Å
106	D	97.1	Very high	98.5	Very high	148 Å²	148	22.7 Å²	22.7	79%	0.791	11%	0.107	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.3	-2.8	179.7	-51.2	-47.2	0	0	0	113.7	Y104	Y104-D106 PolarHBondContact O-N 3.36Å; Y104-D106 VanDerWaalsContact O-N 3.08Å
107	R	98.2	Very high	98.5	Very high	111 Å²	111	22.9 Å²	22.9	42%	0.419	11%	0.108	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111.7	-15.3	-175.4	-54.4	-64.1	174.3	142.2	-9.9	113.7	V72 P73 N76 Y77 Y104	V72-R107 HydrophobicContact CG1-CB 4.04Å; P73-R107 HydrophobicContact CB-CG 4.17Å; P73-R107 PolarHBondContact O-NH1 3.26Å; N76-R107 CarbonylContact C-O 3.59Å; N76-R107 VanDerWaalsContact CA-O 3.25Å; N76-R107 WeakPolarHBondContact CA-O 3.35Å; N76-R107 WeakPolarHBondContact OD1-CD 3.23Å; Y77-R107 PolarHBondContact N-O 3.21Å; Y104-R107 PolarHBondContact O-N 3.05Å
108	I	98.4	Very high	98.5	Very high	0 Å²	0	26 Å²	26	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	128	179.1	-172.2	172.4	0	0	0	109.6	Y77 F79 L97 L100 K101 Y104 L110	Y77-I108 CarbonylContact O-C 3.09Å; Y77-I108 WeakPolarHBondContact O-CA 3.37Å; F79-I108 HydrophobicContact CD2-CD1 3.98Å; F79-I108 HydrophobicContact CD2-CG1 4.03Å; F79-I108 HydrophobicContact CE2-CD1 3.74Å; F79-I108 HydrophobicContact CE2-CG1 4.11Å; L97-I108 HydrophobicContact CD2-CD1 4.13Å; L100-I108 HydrophobicContact CB-CD1 4.15Å; K101-I108 HydrophobicContact CB-CG2 3.89Å; K101-I108 HydrophobicContact CD-CG2 3.9Å; K101-I108 WeakPolarHBondContact CD-O 3.49Å; K101-I108 WeakPolarHBondContact CE-O 3.36Å; K101-I108 PolarHBondContact NZ-O 3.16Å; Y104-I108 PolarHBondContact O-N 3.03Å; I108-L110 HydrophobicContact CD1-CD2 4Å; I108-L110 HydrophobicContact CG1-CD2 3.95Å
109	T	98.9	Very high	98.4	Very high	12 Å²	12	29.8 Å²	29.8	7%	0.074	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	130.2	174.4	-59.6	0	0	0	0	108.4	Q43 V45 Y77 L78 F79 I111	Q43-T109 HydrophobicContact CB-CG2 4.24Å; Q43-T109 HydrophobicContact CG-CG2 3.85Å; V45-T109 HydrophobicContact CG2-CG2 4.09Å; Y77-T109 PolarHBondContact O-N 2.77Å; L78-T109 WeakPolarHBondContact CA-O 3.45Å; L78-T109 HydrophobicContact CD1-CG2 3.49Å; L78-T109 VanDerWaalsContact CD1-CG2 3.49Å; F79-T109 PolarHBondContact N-O 2.81Å; T109-I111 HydrophobicContact CG2-CG2 4.31Å
110	L	98.9	Very high	98.3	Very high	0 Å²	0	31 Å²	31	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	114.9	177.8	-55.2	179.5	0	0	0	107.3	F79 F83 L97 K101 I108 L150	F79-L110 HydrophobicContact CB-CD2 3.91Å; F79-L110 HydrophobicContact CD2-CD2 3.88Å; F79-L110 HydrophobicContact CG-CD2 4.15Å; F83-L110 HydrophobicContact CE1-CD2 4.46Å; F83-L110 HydrophobicContact CE2-CB 4.39Å; F83-L110 HydrophobicContact CZ-CB 4.01Å; F83-L110 HydrophobicContact CZ-CD2 4.23Å; L97-L110 HydrophobicContact CB-CD1 4.26Å; L97-L110 HydrophobicContact CB-CD2 4.26Å; K101-L110 HydrophobicContact CB-CD1 3.99Å; K101-L110 HydrophobicContact CG-CD1 4.4Å; I108-L110 HydrophobicContact CD1-CD2 4Å; I108-L110 HydrophobicContact CG1-CD2 3.95Å; L110-L150 HydrophobicContact CB-CD2 3.88Å
111	I	98.9	Very high	98.3	Very high	0 Å²	0	31 Å²	31	0%	0	14%	0.144	C	C	.	.	B	Isolated β-bridge	trans	-100.7	156.3	170.5	65.2	168.5	0	0	0	110	L78 F79 M80 G81 F83 T109 S151 A154	L78-I111 HydrophobicContact CD1-CG2 4.18Å; F79-I111 WeakPolarHBondContact O-CG1 3.42Å; F79-I111 PolarHBondContact O-N 3.42Å; M80-I111 VanDerWaalsContact CA-CG1 3.49Å; M80-I111 HydrophobicContact CB-CD1 4.13Å; M80-I111 HydrophobicContact CB-CG1 4.34Å; M80-I111 HydrophobicContact CG-CD1 4.08Å; G81-I111 VanDerWaalsContact CA-O 3.23Å; G81-I111 WeakPolarHBondContact CA-O 3.44Å; G81-I111 PolarHBondContact N-O 2.9Å; F83-I111 WeakPolarHBondContact CZ-O 3.21Å; T109-I111 HydrophobicContact CG2-CG2 4.31Å; I111-S151 CarbonylContact C-O 3.6Å; I111-S151 WeakPolarHBondContact CA-O 3.4Å; I111-S151 WeakPolarHBondContact CB-O 3.39Å; I111-A154 HydrophobicContact CG2-CB 4.2Å
112	R	98.9	Very high	98.2	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	17%	0.167	C	C	.	.			trans	-73.6	133.7	-175	-159.3	174.9	-174.5	166.3	7.9	110.5	E116 F147 D148 L150 S151 H164 Q184 L196	R112-E116 HydrophobicContact CG-CB 3.85Å; R112-E116 PolarHBondContact NE-O 2.84Å; R112-E116 PolarHBondContact NH2-O 2.7Å; R112-F147 WeakPolarHBondContact CD-O 3.46Å; R112-F147 VanDerWaalsContact CZ-O 3.25Å; R112-F147 PolarHBondContact NE-O 2.94Å; R112-D148 IonicContact CZ-OD1 3.97Å; R112-D148 IonicContact NH1-OD1 3.81Å; R112-D148 IonicContact NH2-OD1 3.23Å; R112-D148 PolarHBondContact NH2-OD1 2.98Å; R112-L150 HydrophobicContact CB-CB 3.79Å; R112-L150 HydrophobicContact CB-CD1 4.38Å; R112-L150 HydrophobicContact CG-CB 4.19Å; R112-L150 HydrophobicContact CG-CD1 4.25Å; R112-S151 PolarHBondContact N-O 3.06Å; R112-H164 WeakPolarHBondContact O-CB 3.42Å; R112-Q184 PolarHBondContact NH1-O 3.46Å; R112-L196 HydrophobicContact CB-CD2 4.35Å; R112-L196 HydrophobicContact CG-CD1 4.38Å; R112-L196 WeakPolarHBondContact O-CD2 3.28Å
113	G	98.9	Very high	98.1	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	19%	0.188	C	C	.	.			trans	-96.5	176.9	164.4	0	0	0	0	0	112	D82 H115 E116 H164	D82-G113 WeakPolarHBondContact OD1-CA 3.26Å; G113-H115 VanDerWaalsContact C-N 3.25Å; G113-H115 PolarHBondContact O-N 2.99Å; G113-E116 VanDerWaalsContact CA-OE2 3.26Å; G113-E116 WeakPolarHBondContact CA-OE2 3.34Å; G113-E116 PolarHBondContact N-OE2 3.05Å; G113-E116 PolarHBondContact O-N 3.02Å; G113-H164 VanDerWaalsContact CA-CG 3.45Å
114	N	98.7	Very high	98	Very high	4 Å²	4	39.2 Å²	39.2	2%	0.021	19%	0.188	C	C	.	.	S	Bend	trans	-73.6	-21.2	177.9	69	-66.6	0	0	0	112.5	D82 H164 L196 W197 H238	D82-N114 PolarHBondContact OD1-N 2.8Å; D82-N114 PolarHBondContact OD1-OD1 2.78Å; D82-N114 PolarHBondContact OD2-OD1 3.46Å; N114-H164 PolarHBondContact N-CD2 3.42Å; N114-H164 PolarHBondContact OD1-NE2 2.94Å; N114-L196 HydrophobicContact CB-CB 4.15Å; N114-W197 HydrophobicContact CB-CD2 3.96Å; N114-W197 HydrophobicContact CB-CG 4.31Å; N114-W197 HydrophobicContact CB-CH2 4.48Å; N114-W197 HydrophobicContact CB-CZ2 3.8Å; N114-W197 WeakPolarHBondContact ND2-CH2 3.34Å; N114-W197 VanDerWaalsContact ND2-CZ2 3.32Å; N114-W197 WeakPolarHBondContact ND2-CZ2 3.38Å; N114-H238 PolarHBondContact OD1-CE1 3.45Å; N114-H238 PolarHBondContact OD1-ND1 3.21Å
115	H	98.7	Very high	97.8	Very high	10 Å²	10	37 Å²	37	5%	0.046	18%	0.18	C	C	.	.	S	Bend	trans	-78.1	-16.3	175	-81.6	-98.8	0	0	0	114.1	H56 D82 V84 D85 G113 S117 I120 T121 Y124	H56-H115 AromaticContact CE1-CD2 3.52Å; H56-H115 AromaticContact CE1-CG 3.77Å; H56-H115 AromaticContact CE1-NE2 3.71Å; D82-H115 WeakPolarHBondContact OD1-CB 3.1Å; D82-H115 IonicContact OD1-CD2 2.68Å; D82-H115 IonicContact OD1-CG 2.78Å; D82-H115 PolarHBondContact OD1-N 3.22Å; D82-H115 IonicContact OD2-CD2 3.99Å; D82-H115 PolarHBondContact OD2-CD2 3.25Å; D82-H115 IonicContact OD2-CG 2.8Å; V84-H115 HydrophobicContact CG2-CB 4.29Å; D85-H115 WeakPolarHBondContact CB-ND1 3.27Å; D85-H115 IonicContact OD2-CE1 3.78Å; D85-H115 IonicContact OD2-CG 3.15Å; D85-H115 IonicContact OD2-ND1 3.88Å; D85-H115 PolarHBondContact OD2-ND1 2.7Å; G113-H115 VanDerWaalsContact C-N 3.25Å; G113-H115 PolarHBondContact O-N 2.99Å; H115-S117 PolarHBondContact O-N 3.38Å; H115-I120 HydrophobicContact CB-CG2 4.28Å; H115-I120 VanDerWaalsContact CE1-CG2 3.48Å; H115-I120 WeakPolarHBondContact CE1-CG2 3.25Å; H115-I120 WeakPolarHBondContact ND1-CG2 3.33Å; H115-T121 WeakPolarHBondContact O-CG2 3Å; H115-Y124 AromaticContact CE1-CG 3.99Å
116	E	98.8	Very high	97.9	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	17%	0.166	C	C	.	.	S	Bend	trans	-77.7	54.8	170.9	-76.7	73.6	-131.1	0	0	111.8	D82 F83 V84 R112 G113 F147 L150	D82-E116 PolarHBondContact N-OE2 3.39Å; F83-E116 HydrophobicContact CD2-CG 3.91Å; F83-E116 HydrophobicContact CE2-CG 4.28Å; F83-E116 PolarHBondContact N-OE1 2.89Å; V84-E116 PolarHBondContact N-OE1 2.89Å; R112-E116 HydrophobicContact CG-CB 3.85Å; R112-E116 PolarHBondContact NE-O 2.84Å; R112-E116 PolarHBondContact NH2-O 2.7Å; G113-E116 VanDerWaalsContact CA-OE2 3.26Å; G113-E116 WeakPolarHBondContact CA-OE2 3.34Å; G113-E116 PolarHBondContact N-OE2 3.05Å; G113-E116 PolarHBondContact O-N 3.02Å; E116-F147 VanDerWaalsContact C-CD2 3.42Å; E116-F147 HydrophobicContact CB-CB 3.92Å; E116-F147 HydrophobicContact CB-CD1 3.9Å; E116-F147 HydrophobicContact CB-CD2 3.82Å; E116-F147 HydrophobicContact CB-CE1 4.36Å; E116-F147 HydrophobicContact CB-CE2 4.31Å; E116-F147 HydrophobicContact CB-CG 3.62Å; E116-F147 HydrophobicContact CG-CD1 3.65Å; E116-F147 HydrophobicContact CG-CD2 4.2Å; E116-F147 HydrophobicContact CG-CE1 3.73Å; E116-F147 HydrophobicContact CG-CE2 4.29Å; E116-F147 HydrophobicContact CG-CG 3.91Å; E116-F147 HydrophobicContact CG-CZ 4.07Å; E116-F147 WeakPolarHBondContact O-CB 3.48Å; E116-L150 HydrophobicContact CB-CD1 4.2Å; E116-L150 HydrophobicContact CG-CD1 3.93Å
117	S	98.6	Very high	97.9	Very high	5 Å²	5	30.9 Å²	30.9	4%	0.035	14%	0.14	C	C	.	.	S	Bend	trans	-134.9	142.2	-176.9	157.8	0	0	0	0	110.2	H115 Q119 I120 T121 E185	H115-S117 PolarHBondContact O-N 3.38Å; S117-Q119 VanDerWaalsContact C-N 3.31Å; S117-Q119 PolarHBondContact O-N 3.44Å; S117-Q119 PolarHBondContact OG-N 3.42Å; S117-I120 PolarHBondContact OG-N 3.47Å; S117-T121 WeakPolarHBondContact O-CB 3.29Å; S117-T121 WeakPolarHBondContact O-CG2 3.48Å; S117-T121 PolarHBondContact O-N 3.29Å; S117-T121 PolarHBondContact O-OG1 3.17Å; S117-E185 WeakPolarHBondContact CA-OE1 3.44Å; S117-E185 VanDerWaalsContact CB-OE1 3.3Å; S117-E185 WeakPolarHBondContact CB-OE1 3.31Å; S117-E185 PolarHBondContact OG-OE1 2.89Å
118	R	98.6	Very high	97.8	Very high	66 Å²	66	29.7 Å²	29.7	25%	0.249	14%	0.142	C	C	.	.	H	α-helix	trans	-62.2	-40.1	175.4	-69.2	170.1	-175	83.4	-2.4	111.7	T121 Q122 W140 T144 D148 E185	R118-T121 PolarHBondContact O-OG1 3.17Å; R118-Q122 WeakPolarHBondContact O-CB 3.23Å; R118-Q122 VanDerWaalsContact O-CG 3.23Å; R118-Q122 WeakPolarHBondContact O-CG 3.47Å; R118-Q122 PolarHBondContact O-N 2.96Å; R118-W140 HydrophobicContact CB-CH2 4.26Å; R118-W140 HydrophobicContact CB-CZ2 3.89Å; R118-W140 HydrophobicContact CG-CH2 4.19Å; R118-W140 HydrophobicContact CG-CZ2 3.96Å; R118-T144 HydrophobicContact CG-CG2 3.85Å; R118-T144 PolarHBondContact NH2-O 3.02Å; R118-D148 IonicContact CZ-OD1 2.73Å; R118-D148 IonicContact CZ-OD2 3.11Å; R118-D148 VanDerWaalsContact CZ-OD2 3.29Å; R118-D148 IonicContact NH1-OD1 3.5Å; R118-D148 PolarHBondContact NH1-OD1 3.48Å; R118-D148 IonicContact NH1-OD2 3.82Å; R118-D148 PolarHBondContact NH1-OD2 2.8Å; R118-D148 IonicContact NH2-OD1 3.71Å; R118-D148 IonicContact NH2-OD2 3.77Å; R118-D148 PolarHBondContact NH2-OD2 2.78Å; R118-E185 VanDerWaalsContact CB-OE2 3.32Å; R118-E185 WeakPolarHBondContact CB-OE2 3.34Å; R118-E185 WeakPolarHBondContact CD-OE2 3.31Å; R118-E185 WeakPolarHBondContact CG-OE2 3.39Å; R118-E185 IonicContact CZ-OE2 2.8Å; R118-E185 PolarHBondContact N-OE1 3.05Å; R118-E185 PolarHBondContact N-OE2 2.74Å; R118-E185 VanDerWaalsContact N-OE2 3.13Å; R118-E185 IonicContact NH1-OE2 3.96Å; R118-E185 PolarHBondContact NH1-OE2 3.03Å
119	Q	97.3	Very high	97.7	Very high	79 Å²	79	30 Å²	30	37%	0.369	14%	0.144	S	C	.	.	H	α-helix	trans	-68.3	-43.8	-176.8	-56.4	-169.1	31.1	0	0	111.6	S117 E185 H188	S117-Q119 VanDerWaalsContact C-N 3.31Å; S117-Q119 PolarHBondContact O-N 3.44Å; S117-Q119 PolarHBondContact OG-N 3.42Å; Q119-E185 PolarHBondContact N-OE1 3.31Å; Q119-H188 PolarHBondContact NE2-CE1 3.35Å; Q119-H188 PolarHBondContact NE2-NE2 2.86Å; Q119-H188 PolarHBondContact OE1-CE1 3.08Å
120	I	97.7	Very high	97.7	Very high	26 Å²	26	29.4 Å²	29.4	13%	0.133	14%	0.14	C	C	.	.	H	α-helix	trans	-69.2	-47.7	-179.9	-57.3	-56.6	0	0	0	110.2	H115 S117 Q122 V123 Y124 W197	H115-I120 HydrophobicContact CB-CG2 4.28Å; H115-I120 VanDerWaalsContact CE1-CG2 3.48Å; H115-I120 WeakPolarHBondContact CE1-CG2 3.25Å; H115-I120 WeakPolarHBondContact ND1-CG2 3.33Å; S117-I120 PolarHBondContact OG-N 3.47Å; I120-Q122 PolarHBondContact O-N 2.75Å; I120-Q122 VanDerWaalsContact O-N 3.15Å; I120-V123 PolarHBondContact O-N 3.11Å; I120-Y124 HydrophobicContact CB-CD2 4.4Å; I120-Y124 HydrophobicContact CD1-CE2 4.39Å; I120-Y124 HydrophobicContact CG2-CD2 3.49Å; I120-Y124 VanDerWaalsContact CG2-CD2 3.49Å; I120-Y124 HydrophobicContact CG2-CE2 4.05Å; I120-Y124 HydrophobicContact CG2-CG 4.39Å; I120-Y124 VanDerWaalsContact O-CD2 3.31Å; I120-Y124 WeakPolarHBondContact O-CD2 3.2Å; I120-Y124 PolarHBondContact O-N 2.82Å; I120-W197 HydrophobicContact CD1-CH2 4.01Å; I120-W197 HydrophobicContact CD1-CZ2 3.79Å; I120-W197 HydrophobicContact CG1-CZ2 4.13Å
121	T	98.1	Very high	97.6	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-65.1	-22.3	-178.1	54.6	0	0	0	0	114.9	V84 D85 H115 S117 R118 V123 F126 Y127 W140 F147	V84-T121 HydrophobicContact CG2-CG2 3.73Å; D85-T121 WeakPolarHBondContact OD2-CA 3.48Å; H115-T121 WeakPolarHBondContact O-CG2 3Å; S117-T121 WeakPolarHBondContact O-CB 3.29Å; S117-T121 WeakPolarHBondContact O-CG2 3.48Å; S117-T121 PolarHBondContact O-N 3.29Å; S117-T121 PolarHBondContact O-OG1 3.17Å; R118-T121 PolarHBondContact O-OG1 3.17Å; T121-V123 VanDerWaalsContact C-N 3.25Å; T121-V123 PolarHBondContact O-N 3.46Å; T121-F126 HydrophobicContact CG2-CB 3.88Å; T121-F126 HydrophobicContact CG2-CD1 3.71Å; T121-F126 HydrophobicContact CG2-CG 4.23Å; T121-Y127 WeakPolarHBondContact O-CB 3.44Å; T121-Y127 PolarHBondContact O-N 2.92Å; T121-W140 PolarHBondContact OG1-NE1 2.94Å; T121-F147 HydrophobicContact CG2-CE2 4.16Å
122	Q	96.5	Very high	97.5	Very high	104 Å²	104	39.5 Å²	39.5	49%	0.486	18%	0.183	S	C	.	.	H	α-helix	trans	-69.4	-22	172.3	-82.5	179.9	-33.5	0	0	113.4	R118 I120 Y127 W140	R118-Q122 WeakPolarHBondContact O-CB 3.23Å; R118-Q122 VanDerWaalsContact O-CG 3.23Å; R118-Q122 WeakPolarHBondContact O-CG 3.47Å; R118-Q122 PolarHBondContact O-N 2.96Å; I120-Q122 PolarHBondContact O-N 2.75Å; I120-Q122 VanDerWaalsContact O-N 3.15Å; Q122-Y127 HydrophobicContact CG-CD2 4.06Å; Q122-Y127 HydrophobicContact CG-CG 4.33Å; Q122-W140 HydrophobicContact CG-CH2 4.4Å; Q122-W140 HydrophobicContact CG-CZ2 3.9Å
123	V	95.4	Very high	97.4	Very high	90 Å²	90	41.3 Å²	41.3	55%	0.545	19%	0.191	S	C	.	.	H	α-helix	trans	-109	-35.6	-174.5	-178.4	0	0	0	0	111.8	I120 T121	I120-V123 PolarHBondContact O-N 3.11Å; T121-V123 VanDerWaalsContact C-N 3.25Å; T121-V123 PolarHBondContact O-N 3.46Å
124	Y	95.9	Very high	97.3	Very high	74 Å²	74	43.2 Å²	43.2	29%	0.29	20%	0.199	S	C	.	.	H	α-helix	trans	-102.8	10.5	-167.8	-65.5	-76.8	0	0	0	115.5	D85 R86 H115 I120 Y305	D85-Y124 WeakPolarHBondContact CB-O 3.11Å; D85-Y124 VanDerWaalsContact OD1-C 3.23Å; R86-Y124 VanDerWaalsContact CZ-CE1 3.48Å; R86-Y124 PolarHBondContact N-O 3.37Å; R86-Y124 VanDerWaalsContact NH2-CE1 3.32Å; H115-Y124 AromaticContact CE1-CG 3.99Å; I120-Y124 HydrophobicContact CB-CD2 4.4Å; I120-Y124 HydrophobicContact CD1-CE2 4.39Å; I120-Y124 HydrophobicContact CG2-CD2 3.49Å; I120-Y124 VanDerWaalsContact CG2-CD2 3.49Å; I120-Y124 HydrophobicContact CG2-CE2 4.05Å; I120-Y124 HydrophobicContact CG2-CG 4.39Å; I120-Y124 VanDerWaalsContact O-CD2 3.31Å; I120-Y124 WeakPolarHBondContact O-CD2 3.2Å; I120-Y124 PolarHBondContact O-N 2.82Å; Y124-Y305 WeakPolarHBondContact O-CD2 3.28Å; Y124-Y305 WeakPolarHBondContact O-CE2 2.96Å
125	G	94.8	Very high	97.2	Very high	3 Å²	3	46.1 Å²	46.1	3%	0.031	23%	0.23	C	C	.	.	S	Bend	trans	121.4	-23.5	158.1	0	0	0	0	0	116	D85 Y127 D128 E129	D85-G125 PolarHBondContact OD1-N 3.13Å; G125-Y127 PolarHBondContact O-N 3.5Å; G125-D128 PolarHBondContact O-N 3.25Å; G125-E129 VanDerWaalsContact O-CB 3.31Å; G125-E129 WeakPolarHBondContact O-CB 3.11Å; G125-E129 PolarHBondContact O-N 3.08Å
126	F	97.8	Very high	97.1	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-65.7	-36.7	-174.8	-179.5	-125	0	0	0	113.3	V84 D85 V91 T121 E129 C130 W140 C143 F147	V84-F126 HydrophobicContact CB-CB 4.11Å; V84-F126 HydrophobicContact CB-CD1 4.3Å; V84-F126 HydrophobicContact CB-CD2 4.08Å; V84-F126 HydrophobicContact CB-CG 3.92Å; V84-F126 HydrophobicContact CG1-CD1 4.29Å; V84-F126 HydrophobicContact CG1-CD2 4Å; V84-F126 HydrophobicContact CG1-CE1 4.28Å; V84-F126 HydrophobicContact CG1-CE2 3.96Å; V84-F126 HydrophobicContact CG1-CG 4.14Å; V84-F126 HydrophobicContact CG1-CZ 4.1Å; V84-F126 HydrophobicContact CG2-CB 4.34Å; V84-F126 HydrophobicContact CG2-CD1 4.32Å; V84-F126 HydrophobicContact CG2-CG 4.29Å; D85-F126 WeakPolarHBondContact OD1-CB 3.3Å; D85-F126 PolarHBondContact OD1-N 3.36Å; V91-F126 HydrophobicContact CG2-CD2 4.31Å; V91-F126 HydrophobicContact CG2-CE2 3.8Å; T121-F126 HydrophobicContact CG2-CB 3.88Å; T121-F126 HydrophobicContact CG2-CD1 3.71Å; T121-F126 HydrophobicContact CG2-CG 4.23Å; F126-E129 PolarHBondContact O-N 3.49Å; F126-C130 VanDerWaalsContact CE2-SG 3.58Å; F126-C130 PolarHBondContact O-N 2.91Å; F126-C130 PolarHBondContact O-SG 3.14Å; F126-W140 AromaticContact CD1-CD1 3.7Å; F126-C143 HydrophobicContact CE1-CB 3.81Å; F126-C143 HydrophobicContact CZ-CB 3.76Å; F126-F147 HydrophobicContact CD1-CE2 4.31Å; F126-F147 HydrophobicContact CD1-CZ 4.24Å; F126-F147 HydrophobicContact CE1-CE2 4.02Å; F126-F147 AromaticContact CE1-CZ 3.68Å; F126-F147 HydrophobicContact CE1-CZ 3.68Å; F126-F147 HydrophobicContact CZ-CZ 4.33Å
127	Y	97.9	Very high	97	Very high	64 Å²	64	48.9 Å²	48.9	25%	0.251	25%	0.249	S	C	.	.	H	α-helix	trans	-59.1	-51.5	174.1	177.9	-87.1	0	0	0	111.6	T121 Q122 G125 E129 C130 L131 V137 W140	T121-Y127 WeakPolarHBondContact O-CB 3.44Å; T121-Y127 PolarHBondContact O-N 2.92Å; Q122-Y127 HydrophobicContact CG-CD2 4.06Å; Q122-Y127 HydrophobicContact CG-CG 4.33Å; G125-Y127 PolarHBondContact O-N 3.5Å; Y127-E129 VanDerWaalsContact C-N 3.32Å; Y127-E129 PolarHBondContact O-N 3.29Å; Y127-C130 PolarHBondContact O-N 3.35Å; Y127-L131 PolarHBondContact O-N 3.46Å; Y127-V137 HydrophobicContact CE1-CG1 4.17Å; Y127-V137 HydrophobicContact CE2-CB 4.18Å; Y127-V137 HydrophobicContact CE2-CG1 3.69Å; Y127-V137 VanDerWaalsContact CZ-CG1 3.5Å; Y127-V137 WeakPolarHBondContact OH-CG1 3.21Å; Y127-W140 AromaticContact CD2-CD2 3.58Å; Y127-W140 HydrophobicContact CD2-CD2 3.58Å; Y127-W140 AromaticContact CD2-CE2 3.69Å; Y127-W140 AromaticContact CD2-CE3 3.87Å; Y127-W140 HydrophobicContact CD2-CE3 3.87Å; Y127-W140 AromaticContact CD2-CG 3.95Å; Y127-W140 HydrophobicContact CD2-CG 3.95Å; Y127-W140 HydrophobicContact CD2-CH2 4.35Å; Y127-W140 HydrophobicContact CD2-CZ2 4.08Å; Y127-W140 HydrophobicContact CD2-CZ3 4.25Å; Y127-W140 HydrophobicContact CE2-CD2 4.19Å; Y127-W140 AromaticContact CE2-CE3 3.99Å; Y127-W140 HydrophobicContact CE2-CE3 3.99Å; Y127-W140 HydrophobicContact CE2-CZ3 4.17Å
128	D	96.3	Very high	97	Very high	86 Å²	86	50.5 Å²	50.5	46%	0.46	26%	0.258	S	S	.	.	H	α-helix	trans	-67.3	-34.6	179.7	-74.1	-25.1	0	0	0	111.9	G125 L131 R132	G125-D128 PolarHBondContact O-N 3.25Å; D128-L131 PolarHBondContact O-N 3.37Å; D128-R132 WeakPolarHBondContact O-CB 3.24Å; D128-R132 PolarHBondContact O-N 3.45Å
129	E	96.6	Very high	97	Very high	6 Å²	6	47.3 Å²	47.3	3%	0.028	25%	0.246	C	C	.	.	H	α-helix	trans	-61	-49.4	174	-167.8	-172.9	143.4	0	0	111.2	Y89 S90 V91 G125 F126 Y127 R132 K133	Y89-E129 WeakPolarHBondContact CA-OE1 3.32Å; S90-E129 WeakPolarHBondContact CB-OE2 3.18Å; S90-E129 VanDerWaalsContact N-CD 3.32Å; S90-E129 PolarHBondContact N-OE1 3.03Å; S90-E129 PolarHBondContact N-OE2 2.77Å; S90-E129 PolarHBondContact OG-OE2 3.44Å; S90-E129 VanDerWaalsContact OG-OE2 3.1Å; V91-E129 WeakPolarHBondContact CB-OE1 3.36Å; V91-E129 HydrophobicContact CG2-CG 4.03Å; V91-E129 WeakPolarHBondContact CG2-OE1 3.41Å; V91-E129 PolarHBondContact N-OE1 3.2Å; G125-E129 VanDerWaalsContact O-CB 3.31Å; G125-E129 WeakPolarHBondContact O-CB 3.11Å; G125-E129 PolarHBondContact O-N 3.08Å; F126-E129 PolarHBondContact O-N 3.49Å; Y127-E129 VanDerWaalsContact C-N 3.32Å; Y127-E129 PolarHBondContact O-N 3.29Å; E129-R132 PolarHBondContact O-N 3.37Å; E129-K133 HydrophobicContact CG-CD 3.93Å; E129-K133 HydrophobicContact CG-CG 4.48Å; E129-K133 WeakPolarHBondContact O-CB 3.46Å; E129-K133 WeakPolarHBondContact O-CG 3.42Å; E129-K133 PolarHBondContact O-N 2.81Å; E129-K133 WeakPolarHBondContact OE1-CE 3.08Å; E129-K133 IonicContact OE1-NZ 3.39Å; E129-K133 PolarHBondContact OE1-NZ 2.9Å
130	C	97.7	Very high	97	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-59.7	-48.8	176.6	-71.7	0	0	0	0	111.5	F126 Y127 R132 K133 Y134 W140	F126-C130 VanDerWaalsContact CE2-SG 3.58Å; F126-C130 PolarHBondContact O-N 2.91Å; F126-C130 PolarHBondContact O-SG 3.14Å; Y127-C130 PolarHBondContact O-N 3.35Å; C130-R132 VanDerWaalsContact C-N 3.32Å; C130-R132 PolarHBondContact O-N 3.29Å; C130-K133 PolarHBondContact O-N 2.93Å; C130-Y134 PolarHBondContact O-N 2.87Å; C130-W140 HydrophobicContact CB-CB 3.75Å
131	L	97	Very high	97.1	Very high	71 Å²	71	51.1 Å²	51.1	37%	0.372	26%	0.256	S	S	.	.	H	α-helix	trans	-58.3	-44.7	179.1	177.6	59	0	0	0	111.5	Y127 D128 G135 V137	Y127-L131 PolarHBondContact O-N 3.46Å; D128-L131 PolarHBondContact O-N 3.37Å; L131-G135 WeakPolarHBondContact O-CA 3.5Å; L131-G135 PolarHBondContact O-N 2.8Å; L131-V137 HydrophobicContact CB-CG1 4.34Å; L131-V137 HydrophobicContact CD1-CG1 4.14Å
132	R	96.7	Very high	97.1	Very high	142 Å²	142	53.3 Å²	53.3	54%	0.536	26%	0.264	S	S	.	.	H	α-helix	trans	-66.6	-41.5	179	178	179.8	57.2	80.7	-5.7	112.7	D128 E129 C130	D128-R132 WeakPolarHBondContact O-CB 3.24Å; D128-R132 PolarHBondContact O-N 3.45Å; E129-R132 PolarHBondContact O-N 3.37Å; C130-R132 VanDerWaalsContact C-N 3.32Å; C130-R132 PolarHBondContact O-N 3.29Å
133	K	96.7	Very high	97.2	Very high	37 Å²	37	48.4 Å²	48.4	16%	0.161	24%	0.241	C	C	.	.	H	α-helix	trans	-80.1	-35.5	-173.4	-75.5	-174.6	-178.4	176.3	0	113.2	L19 F88 V91 E92 E129 C130	L19-K133 HydrophobicContact CD1-CB 3.74Å; L19-K133 HydrophobicContact CD1-CD 4.16Å; L19-K133 HydrophobicContact CD1-CG 4.14Å; L19-K133 HydrophobicContact CD2-CD 4.13Å; F88-K133 PolarHBondContact O-NZ 2.85Å; V91-K133 HydrophobicContact CB-CD 4.16Å; V91-K133 HydrophobicContact CG1-CD 4.49Å; V91-K133 HydrophobicContact CG2-CD 4.21Å; E92-K133 WeakPolarHBondContact OE1-CE 3.49Å; E92-K133 IonicContact OE1-NZ 3.5Å; E92-K133 PolarHBondContact OE1-NZ 2.98Å; E92-K133 IonicContact OE2-NZ 3.75Å; E92-K133 PolarHBondContact OE2-NZ 3.22Å; E129-K133 HydrophobicContact CG-CD 3.93Å; E129-K133 HydrophobicContact CG-CG 4.48Å; E129-K133 WeakPolarHBondContact O-CB 3.46Å; E129-K133 WeakPolarHBondContact O-CG 3.42Å; E129-K133 PolarHBondContact O-N 2.81Å; E129-K133 WeakPolarHBondContact OE1-CE 3.08Å; E129-K133 IonicContact OE1-NZ 3.39Å; E129-K133 PolarHBondContact OE1-NZ 2.9Å; C130-K133 PolarHBondContact O-N 2.93Å
134	Y	97.5	Very high	97.4	Very high	40 Å²	40	44.2 Å²	44.2	16%	0.157	22%	0.216	C	C	.	.	H	α-helix	trans	-106.8	-8.8	-177.7	-72.8	-82.7	0	0	0	114.3	L19 I20 E22 V25 V91 C130 S136 V139	L19-Y134 HydrophobicContact CD2-CE2 4.31Å; I20-Y134 VanDerWaalsContact O-CE1 3.25Å; I20-Y134 WeakPolarHBondContact O-CE1 3.17Å; I20-Y134 PolarHBondContact O-OH 3.36Å; E22-Y134 HydrophobicContact CB-CD1 4.34Å; V25-Y134 HydrophobicContact CG2-CE1 4.42Å; V91-Y134 HydrophobicContact CG1-CE2 3.69Å; C130-Y134 PolarHBondContact O-N 2.87Å; Y134-S136 PolarHBondContact O-N 2.88Å; Y134-V139 HydrophobicContact CD1-CG2 3.71Å; Y134-V139 HydrophobicContact CD2-CB 3.78Å; Y134-V139 HydrophobicContact CD2-CG1 3.92Å; Y134-V139 HydrophobicContact CD2-CG2 3.61Å; Y134-V139 HydrophobicContact CE1-CG2 3.9Å; Y134-V139 HydrophobicContact CE2-CB 4.05Å; Y134-V139 HydrophobicContact CE2-CG1 3.73Å; Y134-V139 HydrophobicContact CE2-CG2 3.79Å; Y134-V139 HydrophobicContact CG-CB 4.15Å; Y134-V139 HydrophobicContact CG-CG2 3.56Å
135	G	96.7	Very high	97.5	Very high	66 Å²	66	44 Å²	44	68%	0.68	22%	0.218	S	C	*	.	S	Bend	trans	72.7	4.2	-175.6	0	0	0	0	0	113.9	L131	L131-G135 WeakPolarHBondContact O-CA 3.5Å; L131-G135 PolarHBondContact O-N 2.8Å
136	S	95.7	Very high	97.7	Very high	31 Å²	31	44 Å²	44	22%	0.217	22%	0.217	C	C	.	.	S	Bend	trans	-151.7	162.7	178.4	86.7	0	0	0	0	110.7	E22 Y134 T138	E22-S136 PolarHBondContact OE2-OG 2.58Å; Y134-S136 PolarHBondContact O-N 2.88Å; S136-T138 PolarHBondContact O-N 2.83Å; S136-T138 WeakPolarHBondContact OG-CB 3.4Å; S136-T138 PolarHBondContact OG-N 3.22Å; S136-T138 PolarHBondContact OG-OG1 3.13Å; S136-T138 VanDerWaalsContact OG-OG1 3.11Å
137	V	96.9	Very high	97.8	Very high	36 Å²	36	44 Å²	44	22%	0.218	22%	0.217	C	C	.	.	S	Bend	trans	-86.7	7.2	175.7	-58.7	0	0	0	0	113	Y127 L131 V139 W140 R141	Y127-V137 HydrophobicContact CE1-CG1 4.17Å; Y127-V137 HydrophobicContact CE2-CB 4.18Å; Y127-V137 HydrophobicContact CE2-CG1 3.69Å; Y127-V137 VanDerWaalsContact CZ-CG1 3.5Å; Y127-V137 WeakPolarHBondContact OH-CG1 3.21Å; L131-V137 HydrophobicContact CB-CG1 4.34Å; L131-V137 HydrophobicContact CD1-CG1 4.14Å; V137-V139 PolarHBondContact O-N 3.26Å; V137-W140 PolarHBondContact O-N 2.93Å; V137-R141 PolarHBondContact O-N 2.9Å
138	T	98.5	Very high	97.8	Very high	39 Å²	39	41.6 Å²	41.6	24%	0.239	21%	0.208	C	C	.	.	H	α-helix	trans	-64.7	-40.1	-174.2	-56	0	0	0	0	111.7	E22 S136 R141 Y142	E22-T138 HydrophobicContact CG-CG2 4.39Å; E22-T138 VanDerWaalsContact OE1-CG2 3.28Å; E22-T138 WeakPolarHBondContact OE1-CG2 3.18Å; S136-T138 PolarHBondContact O-N 2.83Å; S136-T138 WeakPolarHBondContact OG-CB 3.4Å; S136-T138 PolarHBondContact OG-N 3.22Å; S136-T138 PolarHBondContact OG-OG1 3.13Å; S136-T138 VanDerWaalsContact OG-OG1 3.11Å; T138-R141 WeakPolarHBondContact O-CB 3.05Å; T138-R141 PolarHBondContact O-N 3.06Å; T138-Y142 HydrophobicContact CG2-CD2 4.25Å; T138-Y142 HydrophobicContact CG2-CE1 4.15Å; T138-Y142 HydrophobicContact CG2-CE2 3.48Å; T138-Y142 VanDerWaalsContact CG2-CE2 3.48Å; T138-Y142 VanDerWaalsContact CG2-CZ 3.41Å; T138-Y142 WeakPolarHBondContact CG2-OH 3.25Å; T138-Y142 WeakPolarHBondContact O-CD2 3.35Å; T138-Y142 PolarHBondContact O-N 2.84Å
139	V	98.6	Very high	97.9	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-64.2	-42.6	175	167.1	0	0	0	0	112	E22 V25 Y134 V137 R141 Y142 C143	E22-V139 HydrophobicContact CB-CG2 4.44Å; E22-V139 HydrophobicContact CG-CG2 4.03Å; V25-V139 HydrophobicContact CB-CG2 4.33Å; V25-V139 HydrophobicContact CG1-CG1 4.09Å; V25-V139 HydrophobicContact CG1-CG2 4.24Å; V25-V139 HydrophobicContact CG2-CG2 4.26Å; Y134-V139 HydrophobicContact CD1-CG2 3.71Å; Y134-V139 HydrophobicContact CD2-CB 3.78Å; Y134-V139 HydrophobicContact CD2-CG1 3.92Å; Y134-V139 HydrophobicContact CD2-CG2 3.61Å; Y134-V139 HydrophobicContact CE1-CG2 3.9Å; Y134-V139 HydrophobicContact CE2-CB 4.05Å; Y134-V139 HydrophobicContact CE2-CG1 3.73Å; Y134-V139 HydrophobicContact CE2-CG2 3.79Å; Y134-V139 HydrophobicContact CG-CB 4.15Å; Y134-V139 HydrophobicContact CG-CG2 3.56Å; V137-V139 PolarHBondContact O-N 3.26Å; V139-R141 VanDerWaalsContact C-N 3.26Å; V139-R141 PolarHBondContact O-N 3.25Å; V139-Y142 PolarHBondContact O-N 3.22Å; V139-Y142 VanDerWaalsContact O-N 3.13Å; V139-C143 PolarHBondContact O-N 2.83Å; V139-C143 PolarHBondContact O-SG 2.91Å; V139-C143 VanDerWaalsContact O-SG 3.37Å
140	W	98.7	Very high	98	Very high	20 Å²	20	39.5 Å²	39.5	8%	0.076	19%	0.194	C	C	.	.	H	α-helix	trans	-58.1	-40.3	174.6	172	81.9	0	0	0	111.7	R118 T121 Q122 F126 Y127 C130 V137 C143 T144	R118-W140 HydrophobicContact CB-CH2 4.26Å; R118-W140 HydrophobicContact CB-CZ2 3.89Å; R118-W140 HydrophobicContact CG-CH2 4.19Å; R118-W140 HydrophobicContact CG-CZ2 3.96Å; T121-W140 PolarHBondContact OG1-NE1 2.94Å; Q122-W140 HydrophobicContact CG-CH2 4.4Å; Q122-W140 HydrophobicContact CG-CZ2 3.9Å; F126-W140 AromaticContact CD1-CD1 3.7Å; Y127-W140 AromaticContact CD2-CD2 3.58Å; Y127-W140 HydrophobicContact CD2-CD2 3.58Å; Y127-W140 AromaticContact CD2-CE2 3.69Å; Y127-W140 AromaticContact CD2-CE3 3.87Å; Y127-W140 HydrophobicContact CD2-CE3 3.87Å; Y127-W140 AromaticContact CD2-CG 3.95Å; Y127-W140 HydrophobicContact CD2-CG 3.95Å; Y127-W140 HydrophobicContact CD2-CH2 4.35Å; Y127-W140 HydrophobicContact CD2-CZ2 4.08Å; Y127-W140 HydrophobicContact CD2-CZ3 4.25Å; Y127-W140 HydrophobicContact CE2-CD2 4.19Å; Y127-W140 AromaticContact CE2-CE3 3.99Å; Y127-W140 HydrophobicContact CE2-CE3 3.99Å; Y127-W140 HydrophobicContact CE2-CZ3 4.17Å; C130-W140 HydrophobicContact CB-CB 3.75Å; V137-W140 PolarHBondContact O-N 2.93Å; W140-C143 PolarHBondContact O-N 2.97Å; W140-T144 HydrophobicContact CD2-CG2 4.2Å; W140-T144 HydrophobicContact CG-CG2 4.36Å; W140-T144 HydrophobicContact CZ2-CG2 4.08Å; W140-T144 WeakPolarHBondContact O-CB 3.37Å; W140-T144 WeakPolarHBondContact O-CG2 3.48Å; W140-T144 PolarHBondContact O-N 2.74Å; W140-T144 PolarHBondContact O-OG1 2.82Å
141	R	98.7	Very high	98.1	Very high	164 Å²	164	39.5 Å²	39.5	62%	0.619	19%	0.194	S	C	*	.	H	α-helix	trans	-62.5	-43.9	174.9	-73.4	179	152.5	-177	-7.2	112.6	V137 T138 V139 T144 E145	V137-R141 PolarHBondContact O-N 2.9Å; T138-R141 WeakPolarHBondContact O-CB 3.05Å; T138-R141 PolarHBondContact O-N 3.06Å; V139-R141 VanDerWaalsContact C-N 3.26Å; V139-R141 PolarHBondContact O-N 3.25Å; R141-T144 PolarHBondContact O-OG1 3.45Å; R141-E145 WeakPolarHBondContact O-CB 3.13Å; R141-E145 PolarHBondContact O-N 2.95Å
142	Y	98.7	Very high	98.1	Very high	47 Å²	47	36.1 Å²	36.1	18%	0.184	18%	0.177	C	C	.	.	H	α-helix	trans	-63.2	-47.2	176.9	-61.6	-34.8	0	0	0	111.6	E22 V25 K26 T138 V139 E145 I146	E22-Y142 HydrophobicContact CG-CE2 4.21Å; V25-Y142 HydrophobicContact CG1-CD2 4.23Å; K26-Y142 HydrophobicContact CB-CD2 4.09Å; K26-Y142 HydrophobicContact CB-CE2 3.62Å; K26-Y142 HydrophobicContact CD-CE1 4.42Å; K26-Y142 HydrophobicContact CD-CE2 4.44Å; K26-Y142 HydrophobicContact CG-CE1 4.07Å; K26-Y142 HydrophobicContact CG-CE2 4.01Å; T138-Y142 HydrophobicContact CG2-CD2 4.25Å; T138-Y142 HydrophobicContact CG2-CE1 4.15Å; T138-Y142 HydrophobicContact CG2-CE2 3.48Å; T138-Y142 VanDerWaalsContact CG2-CE2 3.48Å; T138-Y142 VanDerWaalsContact CG2-CZ 3.41Å; T138-Y142 WeakPolarHBondContact CG2-OH 3.25Å; T138-Y142 WeakPolarHBondContact O-CD2 3.35Å; T138-Y142 PolarHBondContact O-N 2.84Å; V139-Y142 PolarHBondContact O-N 3.22Å; V139-Y142 VanDerWaalsContact O-N 3.13Å; Y142-E145 PolarHBondContact O-N 3.27Å; Y142-I146 WeakPolarHBondContact O-CG1 3.47Å; Y142-I146 PolarHBondContact O-N 2.95Å
143	C	98.8	Very high	98.3	Very high	1 Å²	1	29.4 Å²	29.4	1%	0.007	15%	0.151	C	C	.	.	H	α-helix	trans	-64.2	-44.5	-180	-63.4	0	0	0	0	112.1	F94 F126 V139 W140 E145 I146 F147	F94-C143 HydrophobicContact CD1-CB 3.98Å; F94-C143 HydrophobicContact CE1-CB 3.8Å; F126-C143 HydrophobicContact CE1-CB 3.81Å; F126-C143 HydrophobicContact CZ-CB 3.76Å; V139-C143 PolarHBondContact O-N 2.83Å; V139-C143 PolarHBondContact O-SG 2.91Å; V139-C143 VanDerWaalsContact O-SG 3.37Å; W140-C143 PolarHBondContact O-N 2.97Å; C143-E145 VanDerWaalsContact C-N 3.31Å; C143-E145 PolarHBondContact O-N 3.06Å; C143-I146 WeakPolarHBondContact O-CA 3.47Å; C143-I146 WeakPolarHBondContact O-CB 3.4Å; C143-I146 PolarHBondContact O-N 3.37Å; C143-F147 HydrophobicContact CB-CE1 4.32Å; C143-F147 HydrophobicContact CB-CZ 4.2Å; C143-F147 WeakPolarHBondContact O-CD1 3.37Å; C143-F147 WeakPolarHBondContact O-CG 3.44Å; C143-F147 PolarHBondContact O-N 2.8Å
144	T	98.7	Very high	98.4	Very high	2 Å²	2	27.6 Å²	27.6	1%	0.012	14%	0.143	C	C	.	.	H	α-helix	trans	-68.2	-27.5	178.8	52.3	0	0	0	0	113.8	R118 W140 R141 I146 F147	R118-T144 HydrophobicContact CG-CG2 3.85Å; R118-T144 PolarHBondContact NH2-O 3.02Å; W140-T144 HydrophobicContact CD2-CG2 4.2Å; W140-T144 HydrophobicContact CG-CG2 4.36Å; W140-T144 HydrophobicContact CZ2-CG2 4.08Å; W140-T144 WeakPolarHBondContact O-CB 3.37Å; W140-T144 WeakPolarHBondContact O-CG2 3.48Å; W140-T144 PolarHBondContact O-N 2.74Å; W140-T144 PolarHBondContact O-OG1 2.82Å; R141-T144 PolarHBondContact O-OG1 3.45Å; T144-I146 VanDerWaalsContact C-N 3.33Å; T144-F147 HydrophobicContact CG2-CD2 3.78Å; T144-F147 HydrophobicContact CG2-CE2 3.73Å; T144-F147 PolarHBondContact O-N 2.81Å
145	E	98.5	Very high	98.4	Very high	70 Å²	70	26.2 Å²	26.2	33%	0.327	14%	0.139	S	C	.	.	H	α-helix	trans	-63.8	-40.5	167.8	-171.1	-176.2	152.1	0	0	111.1	R33 R141 Y142 C143 F147 D148 Y149	R33-E145 IonicContact CZ-OE1 2.72Å; R33-E145 IonicContact NH1-OE1 3.29Å; R33-E145 PolarHBondContact NH1-OE1 3.37Å; R141-E145 WeakPolarHBondContact O-CB 3.13Å; R141-E145 PolarHBondContact O-N 2.95Å; Y142-E145 PolarHBondContact O-N 3.27Å; C143-E145 VanDerWaalsContact C-N 3.31Å; C143-E145 PolarHBondContact O-N 3.06Å; E145-F147 VanDerWaalsContact C-N 3.35Å; E145-D148 PolarHBondContact O-N 2.89Å; E145-Y149 HydrophobicContact CG-CE2 4.46Å; E145-Y149 WeakPolarHBondContact O-CD2 3.34Å
146	I	98.8	Very high	98.5	Very high	2 Å²	2	23.1 Å²	23.1	1%	0.01	11%	0.106	C	C	.	.	H	α-helix	trans	-67.8	-34.4	177	-62.7	-53.9	0	0	0	112.6	C29 A32 R33 L36 F94 L98 Y142 C143 T144 D148 Y149 L150	C29-I146 HydrophobicContact CB-CD1 3.86Å; C29-I146 HydrophobicContact CB-CG1 3.64Å; C29-I146 WeakPolarHBondContact O-CD1 3.38Å; A32-I146 HydrophobicContact CB-CD1 4.38Å; R33-I146 HydrophobicContact CB-CD1 3.87Å; L36-I146 HydrophobicContact CD1-CG2 3.74Å; F94-I146 HydrophobicContact CZ-CB 4.45Å; F94-I146 HydrophobicContact CZ-CG2 3.99Å; L98-I146 HydrophobicContact CD1-CG2 3.82Å; L98-I146 HydrophobicContact CD2-CG2 4.3Å; Y142-I146 WeakPolarHBondContact O-CG1 3.47Å; Y142-I146 PolarHBondContact O-N 2.95Å; C143-I146 WeakPolarHBondContact O-CA 3.47Å; C143-I146 WeakPolarHBondContact O-CB 3.4Å; C143-I146 PolarHBondContact O-N 3.37Å; T144-I146 VanDerWaalsContact C-N 3.33Å; I146-D148 PolarHBondContact O-N 3.15Å; I146-D148 VanDerWaalsContact O-N 3.16Å; I146-Y149 PolarHBondContact O-N 3.27Å; I146-L150 PolarHBondContact O-N 3.5Å
147	F	98.8	Very high	98.6	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-54.5	-34.8	176.5	-63.4	-13.9	0	0	0	112.6	V84 F94 R112 E116 T121 F126 C143 T144 E145 Y149 L150	V84-F147 HydrophobicContact CG1-CZ 4.04Å; V84-F147 HydrophobicContact CG2-CE2 4.48Å; V84-F147 HydrophobicContact CG2-CZ 4.24Å; F94-F147 AromaticContact CD1-CE1 3.91Å; F94-F147 HydrophobicContact CD1-CE1 3.91Å; F94-F147 AromaticContact CD2-CE1 3.97Å; F94-F147 HydrophobicContact CD2-CE1 3.97Å; F94-F147 HydrophobicContact CE1-CD1 4.19Å; F94-F147 AromaticContact CE1-CE1 3.54Å; F94-F147 HydrophobicContact CE1-CE1 3.54Å; F94-F147 HydrophobicContact CE1-CZ 4.43Å; F94-F147 HydrophobicContact CE2-CD1 4.06Å; F94-F147 AromaticContact CE2-CE1 3.61Å; F94-F147 HydrophobicContact CE2-CE1 3.61Å; F94-F147 HydrophobicContact CG-CE1 4.12Å; F94-F147 AromaticContact CZ-CD1 3.71Å; F94-F147 HydrophobicContact CZ-CD1 3.71Å; F94-F147 AromaticContact CZ-CE1 3.38Å; F94-F147 HydrophobicContact CZ-CE1 3.38Å; R112-F147 WeakPolarHBondContact CD-O 3.46Å; R112-F147 VanDerWaalsContact CZ-O 3.25Å; R112-F147 PolarHBondContact NE-O 2.94Å; E116-F147 VanDerWaalsContact C-CD2 3.42Å; E116-F147 HydrophobicContact CB-CB 3.92Å; E116-F147 HydrophobicContact CB-CD1 3.9Å; E116-F147 HydrophobicContact CB-CD2 3.82Å; E116-F147 HydrophobicContact CB-CE1 4.36Å; E116-F147 HydrophobicContact CB-CE2 4.31Å; E116-F147 HydrophobicContact CB-CG 3.62Å; E116-F147 HydrophobicContact CG-CD1 3.65Å; E116-F147 HydrophobicContact CG-CD2 4.2Å; E116-F147 HydrophobicContact CG-CE1 3.73Å; E116-F147 HydrophobicContact CG-CE2 4.29Å; E116-F147 HydrophobicContact CG-CG 3.91Å; E116-F147 HydrophobicContact CG-CZ 4.07Å; E116-F147 WeakPolarHBondContact O-CB 3.48Å; T121-F147 HydrophobicContact CG2-CE2 4.16Å; F126-F147 HydrophobicContact CD1-CE2 4.31Å; F126-F147 HydrophobicContact CD1-CZ 4.24Å; F126-F147 HydrophobicContact CE1-CE2 4.02Å; F126-F147 AromaticContact CE1-CZ 3.68Å; F126-F147 HydrophobicContact CE1-CZ 3.68Å; F126-F147 HydrophobicContact CZ-CZ 4.33Å; C143-F147 HydrophobicContact CB-CE1 4.32Å; C143-F147 HydrophobicContact CB-CZ 4.2Å; C143-F147 WeakPolarHBondContact O-CD1 3.37Å; C143-F147 WeakPolarHBondContact O-CG 3.44Å; C143-F147 PolarHBondContact O-N 2.8Å; T144-F147 HydrophobicContact CG2-CD2 3.78Å; T144-F147 HydrophobicContact CG2-CE2 3.73Å; T144-F147 PolarHBondContact O-N 2.81Å; E145-F147 VanDerWaalsContact C-N 3.35Å; F147-Y149 PolarHBondContact O-N 2.97Å; F147-L150 HydrophobicContact CD1-CD1 4.2Å; F147-L150 PolarHBondContact O-N 3.23Å
148	D	98.8	Very high	98.7	Very high	14 Å²	14	24.6 Å²	24.6	8%	0.075	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-19	178.3	-58.2	-23.1	0	0	0	113.3	R112 R118 E145 I146 R182 K183 Q184	R112-D148 IonicContact CZ-OD1 3.97Å; R112-D148 IonicContact NH1-OD1 3.81Å; R112-D148 IonicContact NH2-OD1 3.23Å; R112-D148 PolarHBondContact NH2-OD1 2.98Å; R118-D148 IonicContact CZ-OD1 2.73Å; R118-D148 IonicContact CZ-OD2 3.11Å; R118-D148 VanDerWaalsContact CZ-OD2 3.29Å; R118-D148 IonicContact NH1-OD1 3.5Å; R118-D148 PolarHBondContact NH1-OD1 3.48Å; R118-D148 IonicContact NH1-OD2 3.82Å; R118-D148 PolarHBondContact NH1-OD2 2.8Å; R118-D148 IonicContact NH2-OD1 3.71Å; R118-D148 IonicContact NH2-OD2 3.77Å; R118-D148 PolarHBondContact NH2-OD2 2.78Å; E145-D148 PolarHBondContact O-N 2.89Å; I146-D148 PolarHBondContact O-N 3.15Å; I146-D148 VanDerWaalsContact O-N 3.16Å; D148-R182 CarbonylContact O-C 3.49Å; D148-K183 WeakPolarHBondContact O-CA 3.25Å; D148-Q184 VanDerWaalsContact OD1-O 3.07Å
149	Y	98.7	Very high	98.7	Very high	48 Å²	48	25.3 Å²	25.3	19%	0.188	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.1	-14.2	179.7	-67.8	-98.7	0	0	0	113.4	R33 V37 E145 I146 F147 S151 R182 K183	R33-Y149 HydrophobicContact CG-CD1 3.94Å; R33-Y149 HydrophobicContact CG-CD2 4.1Å; R33-Y149 HydrophobicContact CG-CE1 3.68Å; R33-Y149 HydrophobicContact CG-CE2 3.87Å; R33-Y149 HydrophobicContact CG-CG 4.15Å; V37-Y149 HydrophobicContact CB-CD1 4.05Å; V37-Y149 HydrophobicContact CB-CE1 4.21Å; V37-Y149 HydrophobicContact CG2-CD1 4.28Å; V37-Y149 HydrophobicContact CG2-CE1 4.09Å; E145-Y149 HydrophobicContact CG-CE2 4.46Å; E145-Y149 WeakPolarHBondContact O-CD2 3.34Å; I146-Y149 PolarHBondContact O-N 3.27Å; F147-Y149 PolarHBondContact O-N 2.97Å; Y149-S151 PolarHBondContact O-N 3.11Å; Y149-R182 PolarHBondContact O-NE 3.47Å; Y149-R182 PolarHBondContact O-NH2 3.33Å; Y149-K183 HydrophobicContact CD1-CG 4.45Å; Y149-K183 HydrophobicContact CE1-CD 4.21Å; Y149-K183 HydrophobicContact CE1-CG 4.41Å
150	L	98.8	Very high	98.7	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	12%	0.121	C	C	.	.	S	Bend	trans	-59.8	132.6	178.1	-68.2	173.9	0	0	0	110.9	L36 F83 L110 R112 E116 I146 F147 R182	L36-L150 HydrophobicContact CD1-CD2 4.11Å; L36-L150 HydrophobicContact CD2-CD2 4.38Å; F83-L150 HydrophobicContact CE2-CD1 3.97Å; L110-L150 HydrophobicContact CB-CD2 3.88Å; R112-L150 HydrophobicContact CB-CB 3.79Å; R112-L150 HydrophobicContact CB-CD1 4.38Å; R112-L150 HydrophobicContact CG-CB 4.19Å; R112-L150 HydrophobicContact CG-CD1 4.25Å; E116-L150 HydrophobicContact CB-CD1 4.2Å; E116-L150 HydrophobicContact CG-CD1 3.93Å; I146-L150 PolarHBondContact O-N 3.5Å; F147-L150 HydrophobicContact CD1-CD1 4.2Å; F147-L150 PolarHBondContact O-N 3.23Å; L150-R182 WeakPolarHBondContact O-CD 3.44Å
151	S	98.7	Very high	98.7	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	12%	0.117	C	C	.	.	B	Isolated β-bridge	trans	-57.7	146.2	176.6	-62.3	0	0	0	0	110.9	E39 S40 I111 R112 Y149	E39-S151 WeakPolarHBondContact CB-OG 3.41Å; E39-S151 PolarHBondContact OE2-OG 3.39Å; E39-S151 VanDerWaalsContact OE2-OG 3.08Å; S40-S151 WeakPolarHBondContact O-CB 3.36Å; S40-S151 PolarHBondContact O-OG 2.78Å; S40-S151 VanDerWaalsContact O-OG 3.07Å; I111-S151 CarbonylContact C-O 3.6Å; I111-S151 WeakPolarHBondContact CA-O 3.4Å; I111-S151 WeakPolarHBondContact CB-O 3.39Å; R112-S151 PolarHBondContact N-O 3.06Å; Y149-S151 PolarHBondContact O-N 3.11Å
152	L	98.9	Very high	98.7	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	9%	0.088	C	C	.	.	S	Bend	trans	-81.8	-26.2	-175.5	-61.6	-179.1	0	0	0	112.7	N41 I177 I180 R182 M192 L195	N41-L152 HydrophobicContact CB-CB 4.45Å; N41-L152 HydrophobicContact CB-CD1 4.37Å; N41-L152 HydrophobicContact CB-CG 4.41Å; N41-L152 PolarHBondContact O-N 2.85Å; N41-L152 VanDerWaalsContact O-N 3.15Å; L152-I177 HydrophobicContact CB-CG2 4.45Å; L152-I180 HydrophobicContact CD1-CB 4.04Å; L152-I180 HydrophobicContact CD1-CD1 4.01Å; L152-I180 HydrophobicContact CD1-CG2 3.77Å; L152-R182 HydrophobicContact CD1-CB 4.04Å; L152-R182 HydrophobicContact CD2-CB 4.03Å; L152-R182 HydrophobicContact CG-CB 3.96Å; L152-M192 HydrophobicContact CD1-CG 4.25Å; L152-M192 HydrophobicContact CD2-CE 3.99Å; L152-M192 HydrophobicContact CD2-CG 4.06Å; L152-M192 HydrophobicContact CD2-SD 4.42Å; L152-L195 HydrophobicContact CB-CD1 4.32Å; L152-L195 HydrophobicContact CD1-CD1 4.22Å
153	S	98.9	Very high	98.7	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.6	170.9	-177.8	63.7	0	0	0	0	110.5	N41 V42 Q43 F161 C162	N41-S153 PolarHBondContact O-N 2.9Å; N41-S153 PolarHBondContact O-OG 2.96Å; N41-S153 VanDerWaalsContact O-OG 3.12Å; V42-S153 WeakPolarHBondContact CA-O 3.42Å; Q43-S153 PolarHBondContact N-O 2.86Å; S153-F161 VanDerWaalsContact CB-CE2 3.44Å; S153-F161 WeakPolarHBondContact OG-CE2 3.44Å; S153-C162 CarbonylContact C-O 3.44Å; S153-C162 WeakPolarHBondContact CA-O 3.1Å; S153-C162 WeakPolarHBondContact CB-O 3.38Å
154	A	98.9	Very high	98.7	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	163.5	171.4	0	0	0	0	0	111.3	Q43 V45 L78 I111 C162	Q43-A154 HydrophobicContact CB-CB 4.46Å; Q43-A154 CarbonylContact O-C 3.55Å; Q43-A154 WeakPolarHBondContact O-CA 3.43Å; Q43-A154 WeakPolarHBondContact O-CB 3.17Å; V45-A154 HydrophobicContact CG2-CB 4.08Å; L78-A154 HydrophobicContact CD1-CB 3.66Å; L78-A154 HydrophobicContact CD2-CB 4.05Å; I111-A154 HydrophobicContact CG2-CB 4.2Å; A154-C162 HydrophobicContact CB-CB 4.16Å; A154-C162 PolarHBondContact N-O 3.44Å; A154-C162 PolarHBondContact O-N 3.18Å
155	I	98.8	Very high	98.7	Very high	11 Å²	11	14.3 Å²	14.3	6%	0.056	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	115	173.5	-177.5	58	0	0	0	108.6	V42 Q43 V45 I160 I231	V42-I155 HydrophobicContact CG1-CB 3.94Å; V42-I155 HydrophobicContact CG1-CG2 3.78Å; Q43-I155 PolarHBondContact O-N 2.81Å; V45-I155 PolarHBondContact N-O 3.23Å; I155-I160 WeakPolarHBondContact CA-O 3.37Å; I155-I160 WeakPolarHBondContact CD1-O 3.46Å; I155-I231 HydrophobicContact CD1-CD1 3.24Å; I155-I231 HydrophobicContact CG1-CD1 4.41Å
156	I	98.8	Very high	98.7	Very high	0 Å²	0	11 Å²	11	0%	0	6%	0.062	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	121.2	179.9	-51.7	169.8	0	0	0	108.5	V45 V49 V51 L78 G158 K159 I160 C162 L275 L279	V45-I156 HydrophobicContact CB-CG1 4.17Å; V45-I156 HydrophobicContact CG1-CG1 4.34Å; V45-I156 VanDerWaalsContact O-CA 3.27Å; V45-I156 WeakPolarHBondContact O-CA 3.44Å; V49-I156 HydrophobicContact CG1-CD1 3.87Å; V49-I156 HydrophobicContact CG1-CG1 4.35Å; V49-I156 HydrophobicContact CG1-CG2 3.82Å; V51-I156 HydrophobicContact CG2-CD1 3.61Å; L78-I156 HydrophobicContact CD2-CD1 3.94Å; L78-I156 HydrophobicContact CD2-CG1 4.27Å; I156-G158 PolarHBondContact O-N 2.73Å; I156-K159 PolarHBondContact O-N 2.82Å; I156-I160 HydrophobicContact CB-CB 4.19Å; I156-I160 HydrophobicContact CD1-CG2 4.44Å; I156-I160 PolarHBondContact N-O 3.15Å; I156-I160 PolarHBondContact O-N 3.44Å; I156-I160 VanDerWaalsContact O-N 3.08Å; I156-C162 VanDerWaalsContact CD1-SG 3.53Å; I156-L275 HydrophobicContact CD1-CD1 3.61Å; I156-L275 HydrophobicContact CG2-CD1 4.17Å; I156-L279 HydrophobicContact CG2-CD2 4.07Å
157	D	98.2	Very high	98.7	Very high	57 Å²	57	11 Å²	11	31%	0.305	6%	0.063	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.3	25	179.7	-69.5	-12.3	0	0	0	114.9	V45 D46 S47 K159 L279	V45-D157 PolarHBondContact O-N 3Å; D46-D157 VanDerWaalsContact CA-OD1 3.28Å; D46-D157 WeakPolarHBondContact CA-OD1 3.36Å; S47-D157 WeakPolarHBondContact CB-OD2 3.45Å; S47-D157 PolarHBondContact N-OD1 3.22Å; S47-D157 PolarHBondContact OG-OD2 2.79Å; D157-K159 PolarHBondContact O-N 2.93Å; D157-L279 HydrophobicContact CB-CD1 4Å; D157-L279 HydrophobicContact CB-CD2 4.17Å; D157-L279 HydrophobicContact CB-CG 4.44Å; D157-L279 VanDerWaalsContact OD2-CD2 3.32Å; D157-L279 WeakPolarHBondContact OD2-CD2 3.19Å
158	G	97.7	Very high	98.7	Very high	41 Å²	41	11.1 Å²	11.1	42%	0.423	6%	0.063	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.4	4.9	-175.1	0	0	0	0	0	114.7	I156	I156-G158 PolarHBondContact O-N 2.73Å
159	K	98.2	Very high	98.7	Very high	55 Å²	55	12.7 Å²	12.7	24%	0.239	7%	0.074	C	C	.	.	T	Hydrogen-bonded Turn	trans	-123.2	-27.8	-169.2	-69.2	-59.3	-179.3	-174.5	0	116.1	I156 D157 D230 I231 D232 L279	I156-K159 PolarHBondContact O-N 2.82Å; D157-K159 PolarHBondContact O-N 2.93Å; K159-D230 PolarHBondContact NZ-O 3.48Å; K159-D230 IonicContact NZ-OD1 3.71Å; K159-D230 PolarHBondContact NZ-OD1 3.27Å; K159-D230 VanDerWaalsContact NZ-OD1 3.14Å; K159-D230 IonicContact NZ-OD2 2.8Å; K159-D230 PolarHBondContact NZ-OD2 3.38Å; K159-I231 WeakPolarHBondContact O-CG2 3.38Å; K159-D232 PolarHBondContact O-N 2.89Å; K159-L279 HydrophobicContact CB-CD1 4.03Å; K159-L279 HydrophobicContact CG-CD1 4.45Å
160	I	98.8	Very high	98.6	Very high	3 Å²	3	13.6 Å²	13.6	2%	0.015	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	109.4	179.5	-58	173.8	0	0	0	109	I155 I156 M233 C235 L275 L279	I155-I160 WeakPolarHBondContact CA-O 3.37Å; I155-I160 WeakPolarHBondContact CD1-O 3.46Å; I156-I160 HydrophobicContact CB-CB 4.19Å; I156-I160 HydrophobicContact CD1-CG2 4.44Å; I156-I160 PolarHBondContact N-O 3.15Å; I156-I160 PolarHBondContact O-N 3.44Å; I156-I160 VanDerWaalsContact O-N 3.08Å; I160-M233 WeakPolarHBondContact CA-O 3.24Å; I160-M233 HydrophobicContact CB-CG 4.36Å; I160-M233 HydrophobicContact CD1-CG 4.42Å; I160-M233 HydrophobicContact CD1-SD 4.26Å; I160-M233 HydrophobicContact CG1-CG 3.84Å; I160-M233 HydrophobicContact CG1-SD 4.33Å; I160-M233 HydrophobicContact CG2-CG 4.02Å; I160-M233 HydrophobicContact CG2-SD 4.41Å; I160-C235 HydrophobicContact CG2-CB 3.89Å; I160-L275 HydrophobicContact CD1-CD1 3.66Å; I160-L275 HydrophobicContact CD1-CD2 3.86Å; I160-L275 HydrophobicContact CD1-CG 4.44Å; I160-L279 HydrophobicContact CD1-CD2 4.24Å
161	F	98.9	Very high	98.6	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	120.3	176.9	175.2	-120.9	0	0	0	110	S153 V163 L167 L174 I177 L195 F225 I231 M233 I234 C235	S153-F161 VanDerWaalsContact CB-CE2 3.44Å; S153-F161 WeakPolarHBondContact OG-CE2 3.44Å; F161-V163 HydrophobicContact CD1-CG1 4.46Å; F161-V163 HydrophobicContact CE1-CB 3.89Å; F161-V163 HydrophobicContact CE1-CG1 3.82Å; F161-V163 HydrophobicContact CZ-CB 3.87Å; F161-V163 HydrophobicContact CZ-CG1 4.31Å; F161-V163 HydrophobicContact CZ-CG2 4.33Å; F161-L167 HydrophobicContact CE1-CD2 4.19Å; F161-L174 HydrophobicContact CD2-CD2 3.43Å; F161-L174 VanDerWaalsContact CD2-CD2 3.43Å; F161-L174 HydrophobicContact CE2-CD2 3.54Å; F161-L174 HydrophobicContact CG-CD2 4.1Å; F161-L174 HydrophobicContact CZ-CD2 4.3Å; F161-I177 HydrophobicContact CE2-CD1 3.7Å; F161-I177 HydrophobicContact CZ-CD1 3.51Å; F161-L195 HydrophobicContact CZ-CD2 4.39Å; F161-F225 AromaticContact CD1-CE1 3.85Å; F161-F225 HydrophobicContact CD1-CE1 3.85Å; F161-F225 HydrophobicContact CD1-CZ 4.3Å; F161-F225 HydrophobicContact CE1-CE1 4.17Å; F161-F225 HydrophobicContact CE1-CZ 4.2Å; F161-F225 HydrophobicContact CG-CE1 4.31Å; F161-I231 HydrophobicContact CB-CD1 4.26Å; F161-I231 HydrophobicContact CB-CG1 4.41Å; F161-I231 HydrophobicContact CB-CG2 3.92Å; F161-M233 PolarHBondContact N-O 2.83Å; F161-I234 HydrophobicContact CD1-CG1 4.17Å; F161-I234 HydrophobicContact CD1-CG2 4.04Å; F161-I234 CarbonylContact O-C 3.5Å; F161-I234 VanDerWaalsContact O-CA 3.29Å; F161-I234 WeakPolarHBondContact O-CA 3.47Å; F161-C235 PolarHBondContact O-N 3.25Å
162	C	98.9	Very high	98.6	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	126.8	-179.2	-65.9	0	0	0	0	111.3	L78 M80 S153 A154 I156 C235	L78-C162 HydrophobicContact CD2-CB 3.54Å; L78-C162 WeakPolarHBondContact CD2-SG 3.17Å; M80-C162 HydrophobicContact SD-CB 4.32Å; S153-C162 CarbonylContact C-O 3.44Å; S153-C162 WeakPolarHBondContact CA-O 3.1Å; S153-C162 WeakPolarHBondContact CB-O 3.38Å; A154-C162 HydrophobicContact CB-CB 4.16Å; A154-C162 PolarHBondContact N-O 3.44Å; A154-C162 PolarHBondContact O-N 3.18Å; I156-C162 VanDerWaalsContact CD1-SG 3.53Å; C162-C235 VanDerWaalsContact CA-O 3.23Å; C162-C235 WeakPolarHBondContact CA-O 3.25Å
163	V	98.9	Very high	98.5	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	149.2	179.9	67.9	0	0	0	0	109.4	F161 L195 I234 C235 R236	F161-V163 HydrophobicContact CD1-CG1 4.46Å; F161-V163 HydrophobicContact CE1-CB 3.89Å; F161-V163 HydrophobicContact CE1-CG1 3.82Å; F161-V163 HydrophobicContact CZ-CB 3.87Å; F161-V163 HydrophobicContact CZ-CG1 4.31Å; F161-V163 HydrophobicContact CZ-CG2 4.33Å; V163-L195 HydrophobicContact CG2-CB 4.06Å; V163-L195 HydrophobicContact CG2-CD2 3.93Å; V163-L195 WeakPolarHBondContact CG2-O 3.46Å; V163-I234 HydrophobicContact CG1-CG2 4.25Å; V163-C235 PolarHBondContact N-O 2.91Å; V163-C235 VanDerWaalsContact N-O 3.08Å; V163-R236 HydrophobicContact CG1-CB 4.24Å; V163-R236 WeakPolarHBondContact O-CA 2.96Å; V163-R236 WeakPolarHBondContact O-CB 3.43Å
164	H	98.9	Very high	98.5	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	14%	0.139	C	C	.	.	S	Bend	trans	-64.9	-60.3	179.2	178	71.3	0	0	0	112	D54 M80 D82 R112 G113 N114 L196 R236 A237 H238	D54-H164 IonicContact OD1-CE1 2.82Å; D54-H164 PolarHBondContact OD1-CE1 3.29Å; D54-H164 IonicContact OD1-ND1 2.89Å; D54-H164 IonicContact OD2-CE1 3.61Å; M80-H164 VanDerWaalsContact O-CB 3.27Å; M80-H164 WeakPolarHBondContact O-CB 3.4Å; M80-H164 VanDerWaalsContact O-CG 3.3Å; M80-H164 PolarHBondContact O-ND1 2.86Å; D82-H164 IonicContact OD1-CE1 2.61Å; D82-H164 PolarHBondContact OD1-CE1 3.41Å; D82-H164 IonicContact OD1-NE2 3.97Å; D82-H164 PolarHBondContact OD1-NE2 2.92Å; D82-H164 IonicContact OD2-CE1 3.79Å; D82-H164 PolarHBondContact OD2-CE1 3.36Å; D82-H164 IonicContact OD2-NE2 3.93Å; R112-H164 WeakPolarHBondContact O-CB 3.42Å; G113-H164 VanDerWaalsContact CA-CG 3.45Å; N114-H164 PolarHBondContact N-CD2 3.42Å; N114-H164 PolarHBondContact OD1-NE2 2.94Å; H164-L196 HydrophobicContact CB-CD2 4.3Å; H164-L196 PolarHBondContact CD2-O 2.77Å; H164-L196 VanDerWaalsContact CD2-O 3.32Å; H164-R236 PolarHBondContact O-NE 2.94Å; H164-A237 CarbonylContact O-C 3.58Å; H164-A237 PolarHBondContact O-N 2.83Å; H164-H238 AromaticContact CD2-ND1 3.74Å; H164-H238 AromaticContact CE1-ND1 3.99Å; H164-H238 WeakPolarHBondContact NE2-CB 3.11Å; H164-H238 AromaticContact NE2-CG 3.56Å; H164-H238 AromaticContact NE2-ND1 3.05Å; H164-H238 PolarHBondContact NE2-ND1 3.24Å; H164-H238 WeakPolarHBondContact O-CB 3.41Å
165	G	98.8	Very high	98.5	Very high	0 Å²	0	29 Å²	29	0%	0	17%	0.167	C	C	.	.	S	Bend	trans	-83.6	-93.8	179.6	0	0	0	0	0	111.3	L195 S198 R236	G165-L195 CarbonylContact C-O 3.47Å; G165-L195 WeakPolarHBondContact CA-O 3.36Å; G165-L195 PolarHBondContact N-O 2.96Å; G165-S198 CarbonylContact C-O 3.48Å; G165-R236 VanDerWaalsContact C-NH2 3.34Å; G165-R236 PolarHBondContact O-NE 2.89Å; G165-R236 PolarHBondContact O-NH2 2.68Å
166	G	98.6	Very high	98.5	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	18%	0.18	C	C	.	.			trans	-175.4	-148.8	-173.8	0	0	0	0	0	114.1	L195 S198	G166-L195 PolarHBondContact N-O 3.1Å; G166-L195 VanDerWaalsContact N-O 3.08Å; G166-L195 WeakPolarHBondContact O-CA 3.48Å; G166-S198 PolarHBondContact N-O 2.93Å
167	L	98.7	Very high	98.5	Very high	3 Å²	3	31.8 Å²	31.8	2%	0.016	18%	0.18	C	C	.	.			trans	-83.5	162.1	-176.8	-59.7	-178.8	0	0	0	112.1	F161 S198 W206 F217 V221 V222 F225 I234	F161-L167 HydrophobicContact CE1-CD2 4.19Å; L167-S198 WeakPolarHBondContact O-CB 3.31Å; L167-S198 PolarHBondContact O-OG 3.27Å; L167-W206 HydrophobicContact CB-CH2 3.65Å; L167-W206 HydrophobicContact CB-CZ3 4.14Å; L167-F217 HydrophobicContact CB-CD1 4.42Å; L167-F217 HydrophobicContact CB-CG 4.34Å; L167-F217 HydrophobicContact CD1-CD2 4.33Å; L167-F217 HydrophobicContact CG-CD2 4.47Å; L167-V221 HydrophobicContact CD1-CG1 3.93Å; L167-V222 HydrophobicContact CD1-CG2 4.08Å; L167-F225 HydrophobicContact CD1-CB 3.87Å; L167-F225 HydrophobicContact CD1-CD1 4.48Å; L167-F225 HydrophobicContact CD1-CG 4.08Å; L167-F225 HydrophobicContact CD2-CD1 3.8Å; L167-F225 HydrophobicContact CD2-CD2 3.92Å; L167-F225 HydrophobicContact CD2-CE1 3.9Å; L167-F225 HydrophobicContact CD2-CE2 4.01Å; L167-F225 HydrophobicContact CD2-CG 3.8Å; L167-F225 HydrophobicContact CD2-CZ 4Å; L167-I234 HydrophobicContact CD1-CD1 3.82Å; L167-I234 HydrophobicContact CD2-CD1 3.75Å; L167-I234 HydrophobicContact CG-CD1 3.91Å
168	S	98.7	Very high	98.5	Very high	1 Å²	1	34.2 Å²	34.2	1%	0.007	19%	0.185	C	C	.	.			trans	-123.6	139.7	175.4	174.4	0	0	0	0	110.5	S170 I171 D194 W206	S168-S170 PolarHBondContact O-N 3.24Å; S168-S170 VanDerWaalsContact O-N 3.12Å; S168-S170 WeakPolarHBondContact OG-CB 3.46Å; S168-S170 PolarHBondContact OG-N 3.41Å; S168-I171 PolarHBondContact O-N 2.92Å; S168-I171 VanDerWaalsContact O-O 3.12Å; S168-D194 VanDerWaalsContact CB-CB 3.44Å; S168-D194 WeakPolarHBondContact CB-OD2 3.37Å; S168-D194 PolarHBondContact OG-OD2 2.91Å; S168-W206 WeakPolarHBondContact O-CH2 3.31Å
169	P	98.2	Very high	98.5	Very high	48 Å²	48	37.9 Å²	37.9	31%	0.312	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-15.9	170.8	26.7	-34.1	0	0	0	112.9	W206 Y215	P169-W206 VanDerWaalsContact CA-CZ2 3.44Å; P169-W206 HydrophobicContact CB-CD2 4Å; P169-W206 HydrophobicContact CB-CE3 4.44Å; P169-W206 HydrophobicContact CB-CG 4.37Å; P169-W206 HydrophobicContact CB-CZ2 4.07Å; P169-W206 VanDerWaalsContact N-CH2 3.26Å; P169-Y215 VanDerWaalsContact CD-CD2 3.44Å; P169-Y215 HydrophobicContact CG-CD1 4.34Å; P169-Y215 HydrophobicContact CG-CD2 3.74Å; P169-Y215 HydrophobicContact CG-CE1 4.16Å; P169-Y215 HydrophobicContact CG-CE2 3.53Å; P169-Y215 HydrophobicContact CG-CG 4.15Å
170	S	97.8	Very high	98.5	Very high	67 Å²	67	36.6 Å²	36.6	47%	0.469	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.5	-5	177.4	-55.9	0	0	0	0	113.5	S168 Q176	S168-S170 PolarHBondContact O-N 3.24Å; S168-S170 VanDerWaalsContact O-N 3.12Å; S168-S170 WeakPolarHBondContact OG-CB 3.46Å; S168-S170 PolarHBondContact OG-N 3.41Å; S170-Q176 PolarHBondContact O-NE2 2.87Å
171	I	98.4	Very high	98.5	Very high	10 Å²	10	41.3 Å²	41.3	5%	0.051	22%	0.22	C	C	.	.			trans	-126.6	111.8	-173.6	-55.2	174.8	0	0	0	109.2	S168 T173 Q176 I177 I180 P191 L195 F225	S168-I171 PolarHBondContact O-N 2.92Å; S168-I171 VanDerWaalsContact O-O 3.12Å; I171-T173 WeakPolarHBondContact CG2-O 3.48Å; I171-Q176 HydrophobicContact CG2-CB 4.22Å; I171-I177 HydrophobicContact CD1-CG1 4.08Å; I171-I177 HydrophobicContact CG2-CD1 4.15Å; I171-I177 HydrophobicContact CG2-CG1 3.57Å; I171-I180 HydrophobicContact CD1-CD1 4.24Å; I171-P191 HydrophobicContact CD1-CB 3.61Å; I171-P191 HydrophobicContact CG1-CB 3.73Å; I171-L195 HydrophobicContact CD1-CD1 3.77Å; I171-L195 HydrophobicContact CD1-CD2 3.89Å; I171-L195 HydrophobicContact CD1-CG 3.73Å; I171-F225 HydrophobicContact CG2-CE2 4.27Å
172	Q	97.8	Very high	98.5	Very high	137 Å²	137	41.9 Å²	41.9	64%	0.64	22%	0.222	S	C	*	.	S	Bend	trans	-102.5	-26.3	174.8	-61.5	176.6	6	0	0	111.8	N229	Q172-N229 PolarHBondContact O-ND2 3.02Å
173	T	98.4	Very high	98.4	Very high	47 Å²	47	46.5 Å²	46.5	29%	0.288	24%	0.242	S	C	.	.	S	Bend	trans	-130.5	152.5	-175.9	61.5	0	0	0	0	112.8	I171 D175 Q176 N229	I171-T173 WeakPolarHBondContact CG2-O 3.48Å; T173-D175 PolarHBondContact O-N 3.35Å; T173-Q176 WeakPolarHBondContact O-CB 3.37Å; T173-Q176 PolarHBondContact O-N 3.42Å; T173-Q176 VanDerWaalsContact O-N 3.13Å; T173-Q176 PolarHBondContact OG1-OE1 3.23Å; T173-N229 WeakPolarHBondContact CA-OD1 3.27Å
174	L	98.6	Very high	98.4	Very high	18 Å²	18	50.6 Å²	50.6	9%	0.094	26%	0.261	C	S	.	.	H	α-helix	trans	-58.8	-31.5	173.5	-65.6	-179.7	0	0	0	112.2	V42 F161 Q176 I177 R178 F225 N229 I231	V42-L174 HydrophobicContact CG1-CD2 4.47Å; F161-L174 HydrophobicContact CD2-CD2 3.43Å; F161-L174 VanDerWaalsContact CD2-CD2 3.43Å; F161-L174 HydrophobicContact CE2-CD2 3.54Å; F161-L174 HydrophobicContact CG-CD2 4.1Å; F161-L174 HydrophobicContact CZ-CD2 4.3Å; L174-Q176 VanDerWaalsContact C-N 3.29Å; L174-Q176 PolarHBondContact O-N 2.9Å; L174-I177 HydrophobicContact CD2-CD1 4.02Å; L174-I177 WeakPolarHBondContact O-CB 3Å; L174-I177 PolarHBondContact O-N 2.98Å; L174-I177 VanDerWaalsContact O-N 3.1Å; L174-R178 PolarHBondContact O-N 2.86Å; L174-R178 VanDerWaalsContact O-N 3.16Å; L174-F225 HydrophobicContact CD2-CE1 4.38Å; L174-F225 HydrophobicContact CD2-CZ 3.94Å; L174-N229 HydrophobicContact CD1-CB 4.46Å; L174-N229 HydrophobicContact CG-CB 4.24Å; L174-N229 PolarHBondContact N-OD1 3.35Å; L174-I231 HydrophobicContact CD1-CD1 4.13Å
175	D	98.3	Very high	98.4	Very high	110 Å²	110	52.6 Å²	52.6	59%	0.588	27%	0.27	S	S	*	.	H	α-helix	trans	-65	-32.3	177.9	-72.7	-20.3	0	0	0	112.5	T173 I177 R178 T179	T173-D175 PolarHBondContact O-N 3.35Å; D175-I177 VanDerWaalsContact C-N 3.3Å; D175-I177 PolarHBondContact O-N 2.95Å; D175-R178 WeakPolarHBondContact O-CB 3.27Å; D175-R178 PolarHBondContact O-N 3.38Å; D175-R178 IonicContact OD1-NE 3.64Å; D175-T179 PolarHBondContact O-N 3.33Å
176	Q	98.6	Very high	98.3	Very high	69 Å²	69	53 Å²	53	32%	0.322	27%	0.273	S	S	.	.	H	α-helix	trans	-63.1	-39.3	172.8	-71.5	170.2	-71.6	0	0	111.1	S170 I171 T173 L174 R178 T179	S170-Q176 PolarHBondContact O-NE2 2.87Å; I171-Q176 HydrophobicContact CG2-CB 4.22Å; T173-Q176 WeakPolarHBondContact O-CB 3.37Å; T173-Q176 PolarHBondContact O-N 3.42Å; T173-Q176 VanDerWaalsContact O-N 3.13Å; T173-Q176 PolarHBondContact OG1-OE1 3.23Å; L174-Q176 VanDerWaalsContact C-N 3.29Å; L174-Q176 PolarHBondContact O-N 2.9Å; Q176-R178 VanDerWaalsContact C-N 3.31Å; Q176-R178 PolarHBondContact O-N 3.11Å; Q176-T179 PolarHBondContact O-N 3.37Å; Q176-T179 PolarHBondContact O-OG1 3.42Å
177	I	98.8	Very high	98.3	Very high	1 Å²	1	55 Å²	55	1%	0.005	29%	0.286	C	S	.	.	H	α-helix	trans	-60.9	-42.1	174.7	-52.7	175.4	0	0	0	110.4	N41 V42 L152 F161 I171 L174 D175 T179 I180 L195	N41-I177 HydrophobicContact CB-CG2 4.1Å; N41-I177 WeakPolarHBondContact CB-O 3.4Å; N41-I177 PolarHBondContact ND2-O 2.85Å; V42-I177 HydrophobicContact CG2-CB 3.62Å; V42-I177 HydrophobicContact CG2-CD1 4.34Å; V42-I177 HydrophobicContact CG2-CG2 3.64Å; L152-I177 HydrophobicContact CB-CG2 4.45Å; F161-I177 HydrophobicContact CE2-CD1 3.7Å; F161-I177 HydrophobicContact CZ-CD1 3.51Å; I171-I177 HydrophobicContact CD1-CG1 4.08Å; I171-I177 HydrophobicContact CG2-CD1 4.15Å; I171-I177 HydrophobicContact CG2-CG1 3.57Å; L174-I177 HydrophobicContact CD2-CD1 4.02Å; L174-I177 WeakPolarHBondContact O-CB 3Å; L174-I177 PolarHBondContact O-N 2.98Å; L174-I177 VanDerWaalsContact O-N 3.1Å; D175-I177 VanDerWaalsContact C-N 3.3Å; D175-I177 PolarHBondContact O-N 2.95Å; I177-T179 PolarHBondContact O-N 3.45Å; I177-T179 VanDerWaalsContact O-N 3.13Å; I177-I180 HydrophobicContact CG2-CD1 4.45Å; I177-I180 PolarHBondContact O-N 2.9Å; I177-L195 HydrophobicContact CD1-CD2 4.03Å; I177-L195 HydrophobicContact CG1-CD1 4.32Å; I177-L195 HydrophobicContact CG1-CD2 4.42Å; I177-L195 HydrophobicContact CG2-CD1 3.87Å
178	R	98.4	Very high	98.1	Very high	108 Å²	108	61.4 Å²	61.4	41%	0.408	32%	0.315	S	S	.	.	H	α-helix	trans	-59.5	-24.1	179	-64.1	-177.4	-172.6	-73	-4.3	113.8	S40 V42 L174 D175 Q176	S40-R178 PolarHBondContact OG-NH1 3.36Å; V42-R178 HydrophobicContact CB-CG 4.23Å; V42-R178 HydrophobicContact CG2-CG 3.84Å; V42-R178 PolarHBondContact O-NH1 3.11Å; L174-R178 PolarHBondContact O-N 2.86Å; L174-R178 VanDerWaalsContact O-N 3.16Å; D175-R178 WeakPolarHBondContact O-CB 3.27Å; D175-R178 PolarHBondContact O-N 3.38Å; D175-R178 IonicContact OD1-NE 3.64Å; Q176-R178 VanDerWaalsContact C-N 3.31Å; Q176-R178 PolarHBondContact O-N 3.11Å
179	T	98	Very high	98	Very high	118 Å²	118	67.2 Å²	67.2	72%	0.724	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.6	-9.2	-177.6	62.7	0	0	0	0	114.9	D175 Q176 I177 D181	D175-T179 PolarHBondContact O-N 3.33Å; Q176-T179 PolarHBondContact O-N 3.37Å; Q176-T179 PolarHBondContact O-OG1 3.42Å; I177-T179 PolarHBondContact O-N 3.45Å; I177-T179 VanDerWaalsContact O-N 3.13Å; T179-D181 PolarHBondContact O-N 2.99Å
180	I	98.5	Very high	98	Very high	28 Å²	28	66 Å²	66	14%	0.144	34%	0.343	C	S	.	.	S	Bend	trans	-64.4	131.6	178.3	-62.1	172.9	0	0	0	109.8	N41 L152 I171 I177 R182 P191 M192 L195	N41-I180 PolarHBondContact ND2-O 3.1Å; L152-I180 HydrophobicContact CD1-CB 4.04Å; L152-I180 HydrophobicContact CD1-CD1 4.01Å; L152-I180 HydrophobicContact CD1-CG2 3.77Å; I171-I180 HydrophobicContact CD1-CD1 4.24Å; I177-I180 HydrophobicContact CG2-CD1 4.45Å; I177-I180 PolarHBondContact O-N 2.9Å; I180-R182 PolarHBondContact O-N 3.26Å; I180-P191 HydrophobicContact CD1-CB 3.99Å; I180-P191 HydrophobicContact CD1-CG 4.38Å; I180-M192 HydrophobicContact CG2-CB 4.07Å; I180-M192 HydrophobicContact CG2-SD 4.39Å; I180-L195 HydrophobicContact CD1-CD1 3.83Å
181	D	98.1	Very high	98	Very high	102 Å²	102	65.1 Å²	65.1	55%	0.545	34%	0.336	S	S	.	.			trans	-76.1	95.7	167.2	-175.4	7	0	0	0	109.4	T179 K183 Q184	T179-D181 PolarHBondContact O-N 2.99Å; D181-K183 VanDerWaalsContact C-N 3.33Å; D181-K183 PolarHBondContact OD1-N 3.39Å; D181-Q184 PolarHBondContact O-NE2 3.27Å
182	R	98.3	Very high	98	Very high	12 Å²	12	64.9 Å²	64.9	5%	0.045	33%	0.334	C	S	.	.			trans	-77.9	-15.1	-176.3	71.1	166.4	-175	-89.3	4.4	114.4	L36 E39 N41 D148 Y149 L150 L152 I180 Q184	L36-R182 PolarHBondContact O-NH2 3.2Å; E39-R182 VanDerWaalsContact O-CZ 3.29Å; E39-R182 PolarHBondContact O-NH1 2.94Å; E39-R182 PolarHBondContact O-NH2 2.94Å; N41-R182 WeakPolarHBondContact OD1-CD 3.38Å; N41-R182 VanDerWaalsContact OD1-CG 3.25Å; N41-R182 WeakPolarHBondContact OD1-CG 3.35Å; N41-R182 PolarHBondContact OD1-NH1 2.73Å; D148-R182 CarbonylContact O-C 3.49Å; Y149-R182 PolarHBondContact O-NE 3.47Å; Y149-R182 PolarHBondContact O-NH2 3.33Å; L150-R182 WeakPolarHBondContact O-CD 3.44Å; L152-R182 HydrophobicContact CD1-CB 4.04Å; L152-R182 HydrophobicContact CD2-CB 4.03Å; L152-R182 HydrophobicContact CG-CB 3.96Å; I180-R182 PolarHBondContact O-N 3.26Å; R182-Q184 PolarHBondContact O-N 2.96Å
183	K	98	Very high	98.1	Very high	97 Å²	97	58.4 Å²	58.4	42%	0.422	30%	0.304	S	S	.	.	S	Bend	trans	-79.6	49.3	-168	-64	172	-173.6	168.6	0	112.5	D148 Y149 D181	D148-K183 WeakPolarHBondContact O-CA 3.25Å; Y149-K183 HydrophobicContact CD1-CG 4.45Å; Y149-K183 HydrophobicContact CE1-CD 4.21Å; Y149-K183 HydrophobicContact CE1-CG 4.41Å; D181-K183 VanDerWaalsContact C-N 3.33Å; D181-K183 PolarHBondContact OD1-N 3.39Å
184	Q	98.3	Very high	98.1	Very high	87 Å²	87	56.3 Å²	56.3	41%	0.407	29%	0.292	S	S	.	.	S	Bend	trans	-150	168.1	-177.3	60.5	-176.5	-51.1	0	0	110.3	R112 D148 D181 R182 M192	R112-Q184 PolarHBondContact NH1-O 3.46Å; D148-Q184 VanDerWaalsContact OD1-O 3.07Å; D181-Q184 PolarHBondContact O-NE2 3.27Å; R182-Q184 PolarHBondContact O-N 2.96Å; Q184-M192 HydrophobicContact CG-SD 4.42Å
185	E	98.3	Very high	98.1	Very high	41 Å²	41	55.6 Å²	55.6	19%	0.192	29%	0.288	C	S	.	.	P	Polyproline II helix	trans	-58.4	145.1	167.3	-176.8	58.4	-154.5	0	0	110.5	S117 R118 Q119 P187	S117-E185 WeakPolarHBondContact CA-OE1 3.44Å; S117-E185 VanDerWaalsContact CB-OE1 3.3Å; S117-E185 WeakPolarHBondContact CB-OE1 3.31Å; S117-E185 PolarHBondContact OG-OE1 2.89Å; R118-E185 VanDerWaalsContact CB-OE2 3.32Å; R118-E185 WeakPolarHBondContact CB-OE2 3.34Å; R118-E185 WeakPolarHBondContact CD-OE2 3.31Å; R118-E185 WeakPolarHBondContact CG-OE2 3.39Å; R118-E185 IonicContact CZ-OE2 2.8Å; R118-E185 PolarHBondContact N-OE1 3.05Å; R118-E185 PolarHBondContact N-OE2 2.74Å; R118-E185 VanDerWaalsContact N-OE2 3.13Å; R118-E185 IonicContact NH1-OE2 3.96Å; R118-E185 PolarHBondContact NH1-OE2 3.03Å; Q119-E185 PolarHBondContact N-OE1 3.31Å; E185-P187 WeakPolarHBondContact O-CD 3.22Å
186	V	98.4	Very high	98.1	Very high	8 Å²	8	50.3 Å²	50.3	5%	0.048	26%	0.26	C	S	.	.	P	Polyproline II helix	trans	-59.3	121.2	176.7	-175.4	0	0	0	0	109.3	M192 L196	V186-M192 HydrophobicContact CG2-CE 4.16Å; V186-L196 HydrophobicContact CG1-CD1 3.94Å; V186-L196 HydrophobicContact CG2-CD1 3.67Å
187	P	98	Very high	98.1	Very high	42 Å²	42	49 Å²	49	27%	0.273	25%	0.252	S	S	.	.	P	Polyproline II helix	trans	-69.2	162.8	177.2	27.4	-31.9	0	0	0	111.1	E185 D189 M192 C193	E185-P187 WeakPolarHBondContact O-CD 3.22Å; P187-D189 VanDerWaalsContact C-N 3.28Å; P187-D189 WeakPolarHBondContact CG-O 3.21Å; P187-D189 PolarHBondContact O-N 3.01Å; P187-M192 HydrophobicContact CG-CB 4.2Å; P187-C193 WeakPolarHBondContact O-CB 3.35Å
188	H	95.2	Very high	98.1	Very high	138 Å²	138	49 Å²	49	64%	0.639	25%	0.251	S	S	*	.	S	Bend	trans	-74.9	-18.6	178.5	-66.8	-72.4	0	0	0	113.7	Q119	Q119-H188 PolarHBondContact NE2-CE1 3.35Å; Q119-H188 PolarHBondContact NE2-NE2 2.86Å; Q119-H188 PolarHBondContact OE1-CE1 3.08Å
189	D	96.6	Very high	98.2	Very high	123 Å²	123	44 Å²	44	66%	0.658	23%	0.233	S	C	*	.	S	Bend	trans	-147.4	174.6	179.2	65.4	-5.8	0	0	0	111.3	P187	P187-D189 VanDerWaalsContact C-N 3.28Å; P187-D189 WeakPolarHBondContact CG-O 3.21Å; P187-D189 PolarHBondContact O-N 3.01Å
190	G	97.6	Very high	98.2	Very high	24 Å²	24	38.6 Å²	38.6	25%	0.247	20%	0.2	C	C	.	.	S	Bend	trans	88.5	-179.2	176.5	0	0	0	0	0	114.4	M192 C193 D194	G190-M192 VanDerWaalsContact C-N 3.32Å; G190-M192 PolarHBondContact O-N 2.83Å; G190-C193 WeakPolarHBondContact O-CB 3.28Å; G190-C193 PolarHBondContact O-N 3.48Å; G190-D194 PolarHBondContact O-N 3.29Å
191	P	98.2	Very high	98.1	Very high	48 Å²	48	41.2 Å²	41.2	31%	0.312	21%	0.211	S	C	.	.	H	α-helix	trans	-59.7	-37.5	-164.4	21.1	-33.4	0	0	0	113.9	I171 I180 D194 L195	I171-P191 HydrophobicContact CD1-CB 3.61Å; I171-P191 HydrophobicContact CG1-CB 3.73Å; I180-P191 HydrophobicContact CD1-CB 3.99Å; I180-P191 HydrophobicContact CD1-CG 4.38Å; P191-D194 PolarHBondContact O-N 3.47Å; P191-L195 VanDerWaalsContact O-CG 3.27Å; P191-L195 WeakPolarHBondContact O-CG 3.38Å; P191-L195 PolarHBondContact O-N 3.41Å; P191-L195 VanDerWaalsContact O-N 3.1Å
192	M	98.7	Very high	97.9	Very high	4 Å²	4	42.4 Å²	42.4	2%	0.02	22%	0.218	C	C	.	.	H	α-helix	trans	-68.2	-40.5	177.3	-176.9	173	170.1	0	0	112.1	L152 I180 Q184 V186 P187 G190 L196	L152-M192 HydrophobicContact CD1-CG 4.25Å; L152-M192 HydrophobicContact CD2-CE 3.99Å; L152-M192 HydrophobicContact CD2-CG 4.06Å; L152-M192 HydrophobicContact CD2-SD 4.42Å; I180-M192 HydrophobicContact CG2-CB 4.07Å; I180-M192 HydrophobicContact CG2-SD 4.39Å; Q184-M192 HydrophobicContact CG-SD 4.42Å; V186-M192 HydrophobicContact CG2-CE 4.16Å; P187-M192 HydrophobicContact CG-CB 4.2Å; G190-M192 VanDerWaalsContact C-N 3.32Å; G190-M192 PolarHBondContact O-N 2.83Å; M192-L196 WeakPolarHBondContact O-CG 3.15Å
193	C	98.7	Very high	97.7	Very high	2 Å²	2	45 Å²	45	1%	0.014	24%	0.235	C	C	.	.	H	α-helix	trans	-61.8	-49.1	174.8	179.9	0	0	0	0	110.1	P187 G190 L195 L196 W197	P187-C193 WeakPolarHBondContact O-CB 3.35Å; G190-C193 WeakPolarHBondContact O-CB 3.28Å; G190-C193 PolarHBondContact O-N 3.48Å; C193-L195 PolarHBondContact O-N 3.27Å; C193-L196 PolarHBondContact O-N 3.38Å; C193-W197 WeakPolarHBondContact O-CB 3.43Å; C193-W197 VanDerWaalsContact O-CD1 3.27Å; C193-W197 PolarHBondContact O-N 3.01Å
194	D	98.7	Very high	97.5	Very high	3 Å²	3	46.1 Å²	46.1	2%	0.016	25%	0.25	C	S	.	.	H	α-helix	trans	-59.5	-43.3	-177.2	-60.5	-21.3	0	0	0	112.6	S168 G190 P191 L196 W197 S198 Y215	S168-D194 VanDerWaalsContact CB-CB 3.44Å; S168-D194 WeakPolarHBondContact CB-OD2 3.37Å; S168-D194 PolarHBondContact OG-OD2 2.91Å; G190-D194 PolarHBondContact O-N 3.29Å; P191-D194 PolarHBondContact O-N 3.47Å; D194-L196 PolarHBondContact O-N 3.46Å; D194-L196 VanDerWaalsContact O-N 3.14Å; D194-W197 PolarHBondContact O-N 3.1Å; D194-S198 VanDerWaalsContact O-CB 3.22Å; D194-S198 WeakPolarHBondContact O-CB 3.48Å; D194-S198 PolarHBondContact O-N 2.78Å; D194-S198 PolarHBondContact O-OG 2.84Å; D194-S198 VanDerWaalsContact O-OG 3.04Å; D194-Y215 WeakPolarHBondContact OD1-CD2 3.09Å; D194-Y215 WeakPolarHBondContact OD1-CE2 3.3Å
195	L	98.9	Very high	97.5	Very high	2 Å²	2	42.7 Å²	42.7	1%	0.01	24%	0.239	C	C	.	.	H	α-helix	trans	-56.6	-31.1	176.2	-72.6	169	0	0	0	112.3	L152 F161 V163 G165 G166 I171 I177 I180 P191 C193	L152-L195 HydrophobicContact CB-CD1 4.32Å; L152-L195 HydrophobicContact CD1-CD1 4.22Å; F161-L195 HydrophobicContact CZ-CD2 4.39Å; V163-L195 HydrophobicContact CG2-CB 4.06Å; V163-L195 HydrophobicContact CG2-CD2 3.93Å; V163-L195 WeakPolarHBondContact CG2-O 3.46Å; G165-L195 CarbonylContact C-O 3.47Å; G165-L195 WeakPolarHBondContact CA-O 3.36Å; G165-L195 PolarHBondContact N-O 2.96Å; G166-L195 PolarHBondContact N-O 3.1Å; G166-L195 VanDerWaalsContact N-O 3.08Å; G166-L195 WeakPolarHBondContact O-CA 3.48Å; I171-L195 HydrophobicContact CD1-CD1 3.77Å; I171-L195 HydrophobicContact CD1-CD2 3.89Å; I171-L195 HydrophobicContact CD1-CG 3.73Å; I177-L195 HydrophobicContact CD1-CD2 4.03Å; I177-L195 HydrophobicContact CG1-CD1 4.32Å; I177-L195 HydrophobicContact CG1-CD2 4.42Å; I177-L195 HydrophobicContact CG2-CD1 3.87Å; I180-L195 HydrophobicContact CD1-CD1 3.83Å; P191-L195 VanDerWaalsContact O-CG 3.27Å; P191-L195 WeakPolarHBondContact O-CG 3.38Å; P191-L195 PolarHBondContact O-N 3.41Å; P191-L195 VanDerWaalsContact O-N 3.1Å; C193-L195 PolarHBondContact O-N 3.27Å
196	L	98.8	Very high	97.5	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-95.8	-16.8	-177.7	-55.8	-177.5	0	0	0	113.5	R112 N114 H164 V186 M192 C193 D194	R112-L196 HydrophobicContact CB-CD2 4.35Å; R112-L196 HydrophobicContact CG-CD1 4.38Å; R112-L196 WeakPolarHBondContact O-CD2 3.28Å; N114-L196 HydrophobicContact CB-CB 4.15Å; H164-L196 HydrophobicContact CB-CD2 4.3Å; H164-L196 PolarHBondContact CD2-O 2.77Å; H164-L196 VanDerWaalsContact CD2-O 3.32Å; V186-L196 HydrophobicContact CG1-CD1 3.94Å; V186-L196 HydrophobicContact CG2-CD1 3.67Å; M192-L196 WeakPolarHBondContact O-CG 3.15Å; C193-L196 PolarHBondContact O-N 3.38Å; D194-L196 PolarHBondContact O-N 3.46Å; D194-L196 VanDerWaalsContact O-N 3.14Å
197	W	98.7	Very high	97.4	Very high	41 Å²	41	46.1 Å²	46.1	16%	0.155	26%	0.256	C	S	.	.	H	α-helix	trans	-125	-16.3	-169.8	-75.1	93.8	0	0	0	115.8	N114 I120 C193 D194 R211 A213	N114-W197 HydrophobicContact CB-CD2 3.96Å; N114-W197 HydrophobicContact CB-CG 4.31Å; N114-W197 HydrophobicContact CB-CH2 4.48Å; N114-W197 HydrophobicContact CB-CZ2 3.8Å; N114-W197 WeakPolarHBondContact ND2-CH2 3.34Å; N114-W197 VanDerWaalsContact ND2-CZ2 3.32Å; N114-W197 WeakPolarHBondContact ND2-CZ2 3.38Å; I120-W197 HydrophobicContact CD1-CH2 4.01Å; I120-W197 HydrophobicContact CD1-CZ2 3.79Å; I120-W197 HydrophobicContact CG1-CZ2 4.13Å; C193-W197 WeakPolarHBondContact O-CB 3.43Å; C193-W197 VanDerWaalsContact O-CD1 3.27Å; C193-W197 PolarHBondContact O-N 3.01Å; D194-W197 PolarHBondContact O-N 3.1Å; W197-R211 HydrophobicContact CE3-CB 4.05Å; W197-R211 HydrophobicContact CZ3-CB 4.25Å; W197-A213 HydrophobicContact CB-CB 4.12Å; W197-A213 HydrophobicContact CD2-CB 3.83Å; W197-A213 HydrophobicContact CE3-CB 4.16Å; W197-A213 HydrophobicContact CG-CB 3.82Å
198	S	98.7	Very high	97.3	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	28%	0.28	C	S	.	.			trans	-71.4	148.2	-176	-70.3	0	0	0	0	112.7	G165 G166 L167 D194 Y215 R236	G165-S198 CarbonylContact C-O 3.48Å; G166-S198 PolarHBondContact N-O 2.93Å; L167-S198 WeakPolarHBondContact O-CB 3.31Å; L167-S198 PolarHBondContact O-OG 3.27Å; D194-S198 VanDerWaalsContact O-CB 3.22Å; D194-S198 WeakPolarHBondContact O-CB 3.48Å; D194-S198 PolarHBondContact O-N 2.78Å; D194-S198 PolarHBondContact O-OG 2.84Å; D194-S198 VanDerWaalsContact O-OG 3.04Å; S198-Y215 CarbonylContact C-O 3.49Å; S198-Y215 WeakPolarHBondContact CA-O 3.5Å; S198-Y215 WeakPolarHBondContact CB-O 3.36Å; S198-Y215 PolarHBondContact OG-N 3.17Å; S198-Y215 PolarHBondContact OG-O 2.95Å; S198-R236 PolarHBondContact O-NH2 2.78Å
199	D	98.8	Very high	97.4	Very high	4 Å²	4	44 Å²	44	2%	0.021	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	145.1	-177.7	-81.7	-29.8	0	0	0	113.4	R211 Y215 L216 F217 R236 H238 Q239	D199-R211 IonicContact OD1-CZ 3.04Å; D199-R211 IonicContact OD1-NE 2.94Å; D199-R211 IonicContact OD1-NH2 3.3Å; D199-R211 PolarHBondContact OD1-NH2 3.37Å; D199-R211 IonicContact OD2-CZ 2.68Å; D199-R211 IonicContact OD2-NE 2.81Å; D199-R211 PolarHBondContact OD2-NE 3.38Å; D199-R211 IonicContact OD2-NH2 3.29Å; D199-R211 PolarHBondContact OD2-NH2 3.3Å; D199-Y215 PolarHBondContact N-O 3.11Å; D199-L216 HydrophobicContact CB-CD2 3.94Å; D199-L216 CarbonylContact O-C 3.53Å; D199-L216 VanDerWaalsContact O-CA 3.26Å; D199-L216 WeakPolarHBondContact O-CA 3.47Å; D199-F217 VanDerWaalsContact C-CD1 3.49Å; D199-F217 WeakPolarHBondContact O-CD1 3.31Å; D199-F217 WeakPolarHBondContact O-CE1 3.4Å; D199-F217 PolarHBondContact O-N 3.33Å; D199-R236 IonicContact OD1-CZ 2.8Å; D199-R236 IonicContact OD1-NH1 2.68Å; D199-R236 PolarHBondContact OD1-NH1 3.39Å; D199-R236 VanDerWaalsContact OD1-NH1 3.11Å; D199-R236 IonicContact OD1-NH2 3.85Å; D199-R236 PolarHBondContact OD1-NH2 2.97Å; D199-H238 IonicContact OD1-CD2 3.66Å; D199-H238 PolarHBondContact OD1-CD2 2.93Å; D199-Q239 WeakPolarHBondContact OD1-CG 3.12Å; D199-Q239 PolarHBondContact OD1-NE2 2.84Å; D199-Q239 PolarHBondContact OD2-NE2 3.01Å; D199-Q239 VanDerWaalsContact OD2-NE2 3.16Å
200	P	98.4	Very high	97.4	Very high	5 Å²	5	43.6 Å²	43.6	3%	0.032	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	138.5	168.7	29.9	-34.4	0	0	0	111.1	F217 H248 F249	P200-F217 WeakPolarHBondContact CA-O 3.41Å; P200-F217 HydrophobicContact CB-CD2 4.45Å; P200-F217 HydrophobicContact CB-CE2 3.81Å; P200-F217 HydrophobicContact CB-CZ 3.89Å; P200-F217 HydrophobicContact CG-CZ 4.3Å; P200-H248 HydrophobicContact CB-CB 4.46Å; P200-H248 VanDerWaalsContact CG-CE1 3.5Å; P200-H248 WeakPolarHBondContact CG-CE1 3.47Å; P200-F249 HydrophobicContact CB-CE2 3.62Å; P200-F249 HydrophobicContact CB-CZ 3.72Å
201	E	96.9	Very high	97.3	Very high	82 Å²	82	47 Å²	47	38%	0.383	26%	0.261	S	S	.	.			trans	-138.7	145.1	175.3	-174.6	64.2	-101.9	0	0	110.9	T203 L216 F217 F249	E201-T203 HydrophobicContact CG-CG2 3.79Å; E201-T203 PolarHBondContact O-N 3.13Å; E201-L216 HydrophobicContact CB-CB 3.97Å; E201-L216 HydrophobicContact CB-CD1 4.22Å; E201-L216 HydrophobicContact CB-CD2 4.35Å; E201-L216 HydrophobicContact CB-CG 4.4Å; E201-L216 HydrophobicContact CG-CD1 4.11Å; E201-F217 PolarHBondContact N-O 2.95Å; E201-F217 VanDerWaalsContact N-O 3.1Å; E201-F249 VanDerWaalsContact O-CE1 3.23Å; E201-F249 WeakPolarHBondContact O-CE1 3.46Å; E201-F249 VanDerWaalsContact O-CZ 3.23Å; E201-F249 WeakPolarHBondContact O-CZ 3.43Å
202	D	94.7	Very high	97.1	Very high	128 Å²	128	48.2 Å²	48.2	68%	0.684	28%	0.282	S	S	*	.	S	Bend	trans	-74.1	59.8	179.2	-73.2	-33.1	0	0	0	111.8
203	T	92.5	Very high	97	Very high	66 Å²	66	48.9 Å²	48.9	41%	0.405	29%	0.289	S	S	.	.	S	Bend	trans	-134.4	178.4	-179.9	58.1	0	0	0	0	110.6	E201 G218	E201-T203 HydrophobicContact CG-CG2 3.79Å; E201-T203 PolarHBondContact O-N 3.13Å; T203-G218 WeakPolarHBondContact O-CA 3.39Å
204	T	94.9	Very high	97	Very high	120 Å²	120	49.5 Å²	49.5	74%	0.736	30%	0.295	S	S	*	.	S	Bend	trans	-108.3	136.5	175.3	-53.9	0	0	0	0	109.9	D220	T204-D220 WeakPolarHBondContact CA-OD1 3.41Å
205	G	97.8	Very high	97	Very high	16 Å²	16	53.6 Å²	53.6	17%	0.165	31%	0.311	C	S	.	.	S	Bend	trans	75.6	-143.7	179.3	0	0	0	0	0	112.9	G218 D220 V221	G205-G218 PolarHBondContact O-N 3.27Å; G205-D220 PolarHBondContact N-OD1 2.99Å; G205-D220 PolarHBondContact N-OD2 3.49Å; G205-V221 WeakPolarHBondContact O-CG2 3.36Å
206	W	98.2	Very high	97	Very high	98 Å²	98	54.7 Å²	54.7	37%	0.371	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	142.2	-178.8	-60.5	95.6	0	0	0	111	L167 S168 P169 Y215 L216 F217 V221	L167-W206 HydrophobicContact CB-CH2 3.65Å; L167-W206 HydrophobicContact CB-CZ3 4.14Å; S168-W206 WeakPolarHBondContact O-CH2 3.31Å; P169-W206 VanDerWaalsContact CA-CZ2 3.44Å; P169-W206 HydrophobicContact CB-CD2 4Å; P169-W206 HydrophobicContact CB-CE3 4.44Å; P169-W206 HydrophobicContact CB-CG 4.37Å; P169-W206 HydrophobicContact CB-CZ2 4.07Å; P169-W206 VanDerWaalsContact N-CH2 3.26Å; W206-Y215 HydrophobicContact CE3-CG 4.34Å; W206-L216 CarbonylContact C-O 3.47Å; W206-L216 VanDerWaalsContact CA-O 3.32Å; W206-L216 WeakPolarHBondContact CA-O 3.32Å; W206-F217 HydrophobicContact CE3-CB 3.87Å; W206-F217 HydrophobicContact CH2-CB 4.33Å; W206-F217 HydrophobicContact CZ3-CB 3.67Å; W206-V221 HydrophobicContact CD2-CG1 4.35Å; W206-V221 HydrophobicContact CD2-CG2 4.21Å; W206-V221 HydrophobicContact CG-CG2 4.4Å; W206-V221 HydrophobicContact CH2-CG1 3.51Å; W206-V221 HydrophobicContact CZ2-CB 4.39Å; W206-V221 HydrophobicContact CZ2-CG1 3.19Å; W206-V221 HydrophobicContact CZ2-CG2 4.31Å; W206-V221 HydrophobicContact CZ3-CG1 4.21Å
207	G	97.4	Very high	96.9	Very high	22 Å²	22	54.7 Å²	54.7	23%	0.227	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	162.8	173.6	0	0	0	0	0	112.3	Y215 L216	G207-Y215 WeakPolarHBondContact O-CA 3.47Å; G207-L216 PolarHBondContact N-O 3.16Å; G207-L216 PolarHBondContact O-N 3.22Å
208	V	96	Very high	96.9	Very high	130 Å²	130	52.7 Å²	52.7	79%	0.788	31%	0.309	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.3	127.3	174	178.5	0	0	0	0	108.9
209	S	96.8	Very high	96.9	Very high	6 Å²	6	55.5 Å²	55.5	4%	0.042	33%	0.329	C	S	.	.			trans	-67.5	131.6	177	175.8	0	0	0	0	111.3	R211 G212 A213 G214	S209-R211 PolarHBondContact O-N 2.95Å; S209-R211 WeakPolarHBondContact OG-CB 3.49Å; S209-R211 WeakPolarHBondContact OG-CG 3.41Å; S209-R211 PolarHBondContact OG-N 2.89Å; S209-R211 VanDerWaalsContact OG-N 3.16Å; S209-G212 PolarHBondContact O-N 3.02Å; S209-A213 WeakPolarHBondContact CB-O 3.5Å; S209-A213 PolarHBondContact OG-O 3.22Å; S209-G214 WeakPolarHBondContact CB-O 3.37Å
210	P	95.9	Very high	96.9	Very high	114 Å²	114	57.5 Å²	57.5	74%	0.74	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.3	-10.3	173	30.5	-35.2	0	0	0	112.6	G212	P210-G212 PolarHBondContact O-N 3.44Å
211	R	94.9	Very high	96.9	Very high	95 Å²	95	57.7 Å²	57.7	36%	0.358	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-14.2	176.9	-55.6	-176	-179.1	-107.3	12.4	113.2	W197 D199 S209 A213 H238 Q239	W197-R211 HydrophobicContact CE3-CB 4.05Å; W197-R211 HydrophobicContact CZ3-CB 4.25Å; D199-R211 IonicContact OD1-CZ 3.04Å; D199-R211 IonicContact OD1-NE 2.94Å; D199-R211 IonicContact OD1-NH2 3.3Å; D199-R211 PolarHBondContact OD1-NH2 3.37Å; D199-R211 IonicContact OD2-CZ 2.68Å; D199-R211 IonicContact OD2-NE 2.81Å; D199-R211 PolarHBondContact OD2-NE 3.38Å; D199-R211 IonicContact OD2-NH2 3.29Å; D199-R211 PolarHBondContact OD2-NH2 3.3Å; S209-R211 PolarHBondContact O-N 2.95Å; S209-R211 WeakPolarHBondContact OG-CB 3.49Å; S209-R211 WeakPolarHBondContact OG-CG 3.41Å; S209-R211 PolarHBondContact OG-N 2.89Å; S209-R211 VanDerWaalsContact OG-N 3.16Å; R211-A213 PolarHBondContact O-N 2.95Å; R211-H238 WeakPolarHBondContact CD-NE2 3.47Å; R211-H238 PolarHBondContact NE-NE2 3.42Å; R211-H238 VanDerWaalsContact NE-NE2 3.15Å; R211-H238 PolarHBondContact NH1-NE2 3.46Å; R211-H238 PolarHBondContact NH2-CD2 3.02Å; R211-H238 PolarHBondContact NH2-NE2 3.08Å; R211-H238 PolarHBondContact NH2-O 3.36Å; R211-Q239 VanDerWaalsContact NH2-CG 3.26Å
212	G	94.8	Very high	96.9	Very high	74 Å²	74	53.8 Å²	53.8	76%	0.763	32%	0.322	S	S	*	.	S	Bend	trans	78.3	5.1	-172.3	0	0	0	0	0	114.3	S209 P210	S209-G212 PolarHBondContact O-N 3.02Å; P210-G212 PolarHBondContact O-N 3.44Å
213	A	97	Very high	97.1	Very high	19 Å²	19	50.5 Å²	50.5	16%	0.157	31%	0.313	C	S	.	.	S	Bend	trans	-148.9	149.6	175.9	0	0	0	0	0	109.5	W197 S209 R211	W197-A213 HydrophobicContact CB-CB 4.12Å; W197-A213 HydrophobicContact CD2-CB 3.83Å; W197-A213 HydrophobicContact CE3-CB 4.16Å; W197-A213 HydrophobicContact CG-CB 3.82Å; S209-A213 WeakPolarHBondContact CB-O 3.5Å; S209-A213 PolarHBondContact OG-O 3.22Å; R211-A213 PolarHBondContact O-N 2.95Å
214	G	97.8	Very high	97.4	Very high	14 Å²	14	53.6 Å²	53.6	14%	0.144	32%	0.323	C	S	.	.	S	Bend	trans	69	-166.2	-174.4	0	0	0	0	0	114.1	S209	S209-G214 WeakPolarHBondContact CB-O 3.37Å
215	Y	98.4	Very high	97.5	Very high	90 Å²	90	48.4 Å²	48.4	35%	0.353	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	159.2	-176.8	-67.8	-93	0	0	0	112.3	P169 D194 S198 D199 W206 G207	P169-Y215 VanDerWaalsContact CD-CD2 3.44Å; P169-Y215 HydrophobicContact CG-CD1 4.34Å; P169-Y215 HydrophobicContact CG-CD2 3.74Å; P169-Y215 HydrophobicContact CG-CE1 4.16Å; P169-Y215 HydrophobicContact CG-CE2 3.53Å; P169-Y215 HydrophobicContact CG-CG 4.15Å; D194-Y215 WeakPolarHBondContact OD1-CD2 3.09Å; D194-Y215 WeakPolarHBondContact OD1-CE2 3.3Å; S198-Y215 CarbonylContact C-O 3.49Å; S198-Y215 WeakPolarHBondContact CA-O 3.5Å; S198-Y215 WeakPolarHBondContact CB-O 3.36Å; S198-Y215 PolarHBondContact OG-N 3.17Å; S198-Y215 PolarHBondContact OG-O 2.95Å; D199-Y215 PolarHBondContact N-O 3.11Å; W206-Y215 HydrophobicContact CE3-CG 4.34Å; G207-Y215 WeakPolarHBondContact O-CA 3.47Å
216	L	98.6	Very high	97.6	Very high	24 Å²	24	48.2 Å²	48.2	13%	0.126	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	139.2	159.2	-56.7	179.4	0	0	0	108.8	D199 E201 W206 G207	D199-L216 HydrophobicContact CB-CD2 3.94Å; D199-L216 CarbonylContact O-C 3.53Å; D199-L216 VanDerWaalsContact O-CA 3.26Å; D199-L216 WeakPolarHBondContact O-CA 3.47Å; E201-L216 HydrophobicContact CB-CB 3.97Å; E201-L216 HydrophobicContact CB-CD1 4.22Å; E201-L216 HydrophobicContact CB-CD2 4.35Å; E201-L216 HydrophobicContact CB-CG 4.4Å; E201-L216 HydrophobicContact CG-CD1 4.11Å; W206-L216 CarbonylContact C-O 3.47Å; W206-L216 VanDerWaalsContact CA-O 3.32Å; W206-L216 WeakPolarHBondContact CA-O 3.32Å; G207-L216 PolarHBondContact N-O 3.16Å; G207-L216 PolarHBondContact O-N 3.22Å
217	F	98.7	Very high	97.6	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	134	176.4	58.5	-89.1	0	0	0	112.2	L167 D199 P200 E201 W206 V221 V222 F249 V253	L167-F217 HydrophobicContact CB-CD1 4.42Å; L167-F217 HydrophobicContact CB-CG 4.34Å; L167-F217 HydrophobicContact CD1-CD2 4.33Å; L167-F217 HydrophobicContact CG-CD2 4.47Å; D199-F217 VanDerWaalsContact C-CD1 3.49Å; D199-F217 WeakPolarHBondContact O-CD1 3.31Å; D199-F217 WeakPolarHBondContact O-CE1 3.4Å; D199-F217 PolarHBondContact O-N 3.33Å; P200-F217 WeakPolarHBondContact CA-O 3.41Å; P200-F217 HydrophobicContact CB-CD2 4.45Å; P200-F217 HydrophobicContact CB-CE2 3.81Å; P200-F217 HydrophobicContact CB-CZ 3.89Å; P200-F217 HydrophobicContact CG-CZ 4.3Å; E201-F217 PolarHBondContact N-O 2.95Å; E201-F217 VanDerWaalsContact N-O 3.1Å; W206-F217 HydrophobicContact CE3-CB 3.87Å; W206-F217 HydrophobicContact CH2-CB 4.33Å; W206-F217 HydrophobicContact CZ3-CB 3.67Å; F217-V221 HydrophobicContact CB-CB 4.33Å; F217-V221 HydrophobicContact CB-CG1 4.13Å; F217-V222 HydrophobicContact CD2-CG2 3.68Å; F217-V222 HydrophobicContact CE2-CG2 3.87Å; F217-F249 HydrophobicContact CD2-CE2 4.22Å; F217-F249 HydrophobicContact CE2-CE2 4.25Å; F217-F249 VanDerWaalsContact O-CZ 3.29Å; F217-F249 WeakPolarHBondContact O-CZ 3.36Å; F217-V253 HydrophobicContact CE2-CG2 4.48Å
218	G	98.4	Very high	97.6	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	32%	0.315	C	S	.	.			trans	-89.2	173	179.7	0	0	0	0	0	114.7	T203 G205 D220 V221 V222	T203-G218 WeakPolarHBondContact O-CA 3.39Å; G205-G218 PolarHBondContact O-N 3.27Å; G218-D220 VanDerWaalsContact C-N 3.28Å; G218-D220 PolarHBondContact O-N 2.8Å; G218-V221 WeakPolarHBondContact O-CB 3.5Å; G218-V221 PolarHBondContact O-N 2.89Å; G218-V221 VanDerWaalsContact O-N 3.17Å; G218-V222 PolarHBondContact O-N 3.36Å
219	S	97.9	Very high	97.7	Very high	58 Å²	58	44.7 Å²	44.7	41%	0.406	29%	0.285	S	S	.	.	H	α-helix	trans	-58.6	-33.1	179.5	57.6	0	0	0	0	114.5	V222 A223	S219-V222 PolarHBondContact O-N 3.13Å; S219-A223 WeakPolarHBondContact O-CB 3.4Å; S219-A223 PolarHBondContact O-N 3.4Å
220	D	98.1	Very high	97.8	Very high	47 Å²	47	49.8 Å²	49.8	25%	0.251	31%	0.311	S	S	.	.	H	α-helix	trans	-70.6	-34	178.4	61.7	-61.7	0	0	0	112.5	T204 G205 G218 Q224	T204-D220 WeakPolarHBondContact CA-OD1 3.41Å; G205-D220 PolarHBondContact N-OD1 2.99Å; G205-D220 PolarHBondContact N-OD2 3.49Å; G218-D220 VanDerWaalsContact C-N 3.28Å; G218-D220 PolarHBondContact O-N 2.8Å; D220-Q224 VanDerWaalsContact O-CG 3.28Å; D220-Q224 WeakPolarHBondContact O-CG 3.23Å; D220-Q224 PolarHBondContact O-N 3.1Å; D220-Q224 VanDerWaalsContact O-N 3.09Å; D220-Q224 PolarHBondContact O-NE2 2.86Å
221	V	98.4	Very high	97.9	Very high	9 Å²	9	44.8 Å²	44.8	6%	0.055	28%	0.278	C	S	.	.	H	α-helix	trans	-65.2	-45.3	173.6	175.5	0	0	0	0	109.9	L167 G205 W206 F217 G218 Q224 F225	L167-V221 HydrophobicContact CD1-CG1 3.93Å; G205-V221 WeakPolarHBondContact O-CG2 3.36Å; W206-V221 HydrophobicContact CD2-CG1 4.35Å; W206-V221 HydrophobicContact CD2-CG2 4.21Å; W206-V221 HydrophobicContact CG-CG2 4.4Å; W206-V221 HydrophobicContact CH2-CG1 3.51Å; W206-V221 HydrophobicContact CZ2-CB 4.39Å; W206-V221 HydrophobicContact CZ2-CG1 3.19Å; W206-V221 HydrophobicContact CZ2-CG2 4.31Å; W206-V221 HydrophobicContact CZ3-CG1 4.21Å; F217-V221 HydrophobicContact CB-CB 4.33Å; F217-V221 HydrophobicContact CB-CG1 4.13Å; G218-V221 WeakPolarHBondContact O-CB 3.5Å; G218-V221 PolarHBondContact O-N 2.89Å; G218-V221 VanDerWaalsContact O-N 3.17Å; V221-Q224 PolarHBondContact O-N 3.13Å; V221-F225 WeakPolarHBondContact O-CB 3.45Å; V221-F225 PolarHBondContact O-N 2.8Å
222	V	98.5	Very high	98	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-62.7	-46.3	177.3	175.9	0	0	0	0	111	L167 F217 G218 S219 Q224 F225 N226 I234 F249 V253	L167-V222 HydrophobicContact CD1-CG2 4.08Å; F217-V222 HydrophobicContact CD2-CG2 3.68Å; F217-V222 HydrophobicContact CE2-CG2 3.87Å; G218-V222 PolarHBondContact O-N 3.36Å; S219-V222 PolarHBondContact O-N 3.13Å; V222-Q224 VanDerWaalsContact C-N 3.31Å; V222-Q224 PolarHBondContact O-N 3.16Å; V222-F225 PolarHBondContact O-N 2.89Å; V222-N226 WeakPolarHBondContact O-CB 3.32Å; V222-N226 PolarHBondContact O-N 3.04Å; V222-I234 HydrophobicContact CG1-CD1 4.09Å; V222-I234 HydrophobicContact CG2-CD1 4.46Å; V222-F249 HydrophobicContact CB-CD2 4.4Å; V222-F249 HydrophobicContact CG2-CD2 3.79Å; V222-F249 HydrophobicContact CG2-CE2 3.92Å; V222-V253 HydrophobicContact CB-CG2 4.31Å; V222-V253 HydrophobicContact CG1-CG2 3.71Å; V222-V253 HydrophobicContact CG2-CG2 3.69Å
223	A	98	Very high	98.2	Very high	58 Å²	58	41.6 Å²	41.6	48%	0.479	25%	0.251	S	S	.	.	H	α-helix	trans	-59.1	-41.9	178.8	0	0	0	0	0	112.2	S219 A227	S219-A223 WeakPolarHBondContact O-CB 3.4Å; S219-A223 PolarHBondContact O-N 3.4Å; A223-A227 VanDerWaalsContact O-CB 3.26Å; A223-A227 WeakPolarHBondContact O-CB 3.39Å; A223-A227 PolarHBondContact O-N 2.58Å
224	Q	98.1	Very high	98.3	Very high	132 Å²	132	40.7 Å²	40.7	62%	0.617	24%	0.243	S	C	*	.	H	α-helix	trans	-64.6	-46.7	175.8	-73.1	170.6	45.4	0	0	112	D220 V221 V222 A228	D220-Q224 VanDerWaalsContact O-CG 3.28Å; D220-Q224 WeakPolarHBondContact O-CG 3.23Å; D220-Q224 PolarHBondContact O-N 3.1Å; D220-Q224 VanDerWaalsContact O-N 3.09Å; D220-Q224 PolarHBondContact O-NE2 2.86Å; V221-Q224 PolarHBondContact O-N 3.13Å; V222-Q224 VanDerWaalsContact C-N 3.31Å; V222-Q224 PolarHBondContact O-N 3.16Å; Q224-A228 VanDerWaalsContact O-CB 3.31Å; Q224-A228 WeakPolarHBondContact O-CB 3.25Å; Q224-A228 PolarHBondContact O-N 3.43Å
225	F	98.7	Very high	98.3	Very high	10 Å²	10	40 Å²	40	4%	0.044	24%	0.236	C	C	.	.	H	α-helix	trans	-63.4	-47	179.7	-175.2	-90.7	0	0	0	111.8	F161 L167 I171 L174 V221 V222 A227 A228 N229 I234	F161-F225 AromaticContact CD1-CE1 3.85Å; F161-F225 HydrophobicContact CD1-CE1 3.85Å; F161-F225 HydrophobicContact CD1-CZ 4.3Å; F161-F225 HydrophobicContact CE1-CE1 4.17Å; F161-F225 HydrophobicContact CE1-CZ 4.2Å; F161-F225 HydrophobicContact CG-CE1 4.31Å; L167-F225 HydrophobicContact CD1-CB 3.87Å; L167-F225 HydrophobicContact CD1-CD1 4.48Å; L167-F225 HydrophobicContact CD1-CG 4.08Å; L167-F225 HydrophobicContact CD2-CD1 3.8Å; L167-F225 HydrophobicContact CD2-CD2 3.92Å; L167-F225 HydrophobicContact CD2-CE1 3.9Å; L167-F225 HydrophobicContact CD2-CE2 4.01Å; L167-F225 HydrophobicContact CD2-CG 3.8Å; L167-F225 HydrophobicContact CD2-CZ 4Å; I171-F225 HydrophobicContact CG2-CE2 4.27Å; L174-F225 HydrophobicContact CD2-CE1 4.38Å; L174-F225 HydrophobicContact CD2-CZ 3.94Å; V221-F225 WeakPolarHBondContact O-CB 3.45Å; V221-F225 PolarHBondContact O-N 2.8Å; V222-F225 PolarHBondContact O-N 2.89Å; F225-A227 PolarHBondContact O-N 2.68Å; F225-A228 PolarHBondContact O-N 3.15Å; F225-N229 WeakPolarHBondContact O-CB 3.41Å; F225-N229 PolarHBondContact O-N 2.93Å; F225-N229 VanDerWaalsContact O-N 3.14Å; F225-N229 PolarHBondContact O-ND2 3.09Å; F225-I234 HydrophobicContact CD1-CD1 4.27Å
226	N	98.5	Very high	98.4	Very high	13 Å²	13	35.7 Å²	35.7	7%	0.07	22%	0.219	C	C	.	.	H	α-helix	trans	-61.3	-45.8	179.2	-77.6	11.8	0	0	0	111.4	V222 A228 N229 D230 I231	V222-N226 WeakPolarHBondContact O-CB 3.32Å; V222-N226 PolarHBondContact O-N 3.04Å; N226-A228 PolarHBondContact O-N 3.35Å; N226-N229 PolarHBondContact O-N 2.92Å; N226-D230 PolarHBondContact O-N 3.43Å; N226-I231 VanDerWaalsContact CB-O 3.3Å; N226-I231 WeakPolarHBondContact CB-O 3.4Å; N226-I231 PolarHBondContact O-N 3.3Å; N226-I231 VanDerWaalsContact O-N 3.08Å
227	A	98.2	Very high	98.4	Very high	84 Å²	84	34.6 Å²	34.6	69%	0.694	21%	0.213	S	C	*	.	H	α-helix	trans	-63.7	-39.6	177.4	0	0	0	0	0	112.9	A223 F225 N229	A223-A227 VanDerWaalsContact O-CB 3.26Å; A223-A227 WeakPolarHBondContact O-CB 3.39Å; A223-A227 PolarHBondContact O-N 2.58Å; F225-A227 PolarHBondContact O-N 2.68Å; A227-N229 VanDerWaalsContact C-N 3.26Å; A227-N229 PolarHBondContact O-N 3.43Å
228	A	98.3	Very high	98.4	Very high	64 Å²	64	35 Å²	35	53%	0.529	22%	0.215	S	C	.	.	H	α-helix	trans	-68.8	-24.4	179.3	0	0	0	0	0	113.3	Q224 F225 N226	Q224-A228 VanDerWaalsContact O-CB 3.31Å; Q224-A228 WeakPolarHBondContact O-CB 3.25Å; Q224-A228 PolarHBondContact O-N 3.43Å; F225-A228 PolarHBondContact O-N 3.15Å; N226-A228 PolarHBondContact O-N 3.35Å
229	N	98.6	Very high	98.4	Very high	28 Å²	28	37.1 Å²	37.1	15%	0.15	23%	0.225	C	C	.	.	H	α-helix	trans	-114.3	2.1	-173.9	-66	-79.9	0	0	0	114.3	Q172 T173 L174 F225 N226 A227 I231	Q172-N229 PolarHBondContact O-ND2 3.02Å; T173-N229 WeakPolarHBondContact CA-OD1 3.27Å; L174-N229 HydrophobicContact CD1-CB 4.46Å; L174-N229 HydrophobicContact CG-CB 4.24Å; L174-N229 PolarHBondContact N-OD1 3.35Å; F225-N229 WeakPolarHBondContact O-CB 3.41Å; F225-N229 PolarHBondContact O-N 2.93Å; F225-N229 VanDerWaalsContact O-N 3.14Å; F225-N229 PolarHBondContact O-ND2 3.09Å; N226-N229 PolarHBondContact O-N 2.92Å; A227-N229 VanDerWaalsContact C-N 3.26Å; A227-N229 PolarHBondContact O-N 3.43Å; N229-I231 VanDerWaalsContact C-N 3.27Å; N229-I231 HydrophobicContact CB-CG1 3.68Å; N229-I231 PolarHBondContact O-N 3.46Å
230	D	98.1	Very high	98.3	Very high	113 Å²	113	37.6 Å²	37.6	60%	0.604	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.8	40.1	-175	-168.6	37.9	0	0	0	113.6	K159 N226	K159-D230 PolarHBondContact NZ-O 3.48Å; K159-D230 IonicContact NZ-OD1 3.71Å; K159-D230 PolarHBondContact NZ-OD1 3.27Å; K159-D230 VanDerWaalsContact NZ-OD1 3.14Å; K159-D230 IonicContact NZ-OD2 2.8Å; K159-D230 PolarHBondContact NZ-OD2 3.38Å; N226-D230 PolarHBondContact O-N 3.43Å
231	I	98.1	Very high	98.3	Very high	9 Å²	9	35.8 Å²	35.8	5%	0.046	21%	0.214	C	C	.	.			trans	-99.6	136	-179.2	-62.3	-65.9	0	0	0	109.9	I155 K159 F161 L174 N226 N229 M233	I155-I231 HydrophobicContact CD1-CD1 3.24Å; I155-I231 HydrophobicContact CG1-CD1 4.41Å; K159-I231 WeakPolarHBondContact O-CG2 3.38Å; F161-I231 HydrophobicContact CB-CD1 4.26Å; F161-I231 HydrophobicContact CB-CG1 4.41Å; F161-I231 HydrophobicContact CB-CG2 3.92Å; L174-I231 HydrophobicContact CD1-CD1 4.13Å; N226-I231 VanDerWaalsContact CB-O 3.3Å; N226-I231 WeakPolarHBondContact CB-O 3.4Å; N226-I231 PolarHBondContact O-N 3.3Å; N226-I231 VanDerWaalsContact O-N 3.08Å; N229-I231 VanDerWaalsContact C-N 3.27Å; N229-I231 HydrophobicContact CB-CG1 3.68Å; N229-I231 PolarHBondContact O-N 3.46Å; I231-M233 WeakPolarHBondContact CG2-O 3.47Å
232	D	97.8	Very high	98.2	Very high	96 Å²	96	39.7 Å²	39.7	51%	0.513	23%	0.232	S	C	.	.	S	Bend	trans	-80.7	-42.1	179.1	-65.3	-19.3	0	0	0	111.1	K159	K159-D232 PolarHBondContact O-N 2.89Å
233	M	98.1	Very high	98.2	Very high	5 Å²	5	45.4 Å²	45.4	3%	0.025	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.2	159.8	179.9	62.4	167.9	-69.2	0	0	113.1	I160 F161 I231 C235 W247 T252 L254 K281	I160-M233 WeakPolarHBondContact CA-O 3.24Å; I160-M233 HydrophobicContact CB-CG 4.36Å; I160-M233 HydrophobicContact CD1-CG 4.42Å; I160-M233 HydrophobicContact CD1-SD 4.26Å; I160-M233 HydrophobicContact CG1-CG 3.84Å; I160-M233 HydrophobicContact CG1-SD 4.33Å; I160-M233 HydrophobicContact CG2-CG 4.02Å; I160-M233 HydrophobicContact CG2-SD 4.41Å; F161-M233 PolarHBondContact N-O 2.83Å; I231-M233 WeakPolarHBondContact CG2-O 3.47Å; M233-C235 HydrophobicContact CE-CB 4.16Å; M233-W247 HydrophobicContact CE-CH2 3.62Å; M233-W247 HydrophobicContact CE-CZ3 3.58Å; M233-W247 HydrophobicContact SD-CH2 3.77Å; M233-W247 HydrophobicContact SD-CZ3 4.05Å; M233-T252 WeakPolarHBondContact CA-O 3.34Å; M233-L254 HydrophobicContact CE-CB 3.45Å; M233-L254 VanDerWaalsContact CE-CB 3.45Å; M233-L254 HydrophobicContact CE-CD2 3.97Å; M233-L254 HydrophobicContact CE-CG 4.39Å; M233-K281 HydrophobicContact SD-CD 4.16Å; M233-K281 WeakPolarHBondContact SD-CE 3.41Å
234	I	98.9	Very high	98.2	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	129.8	169.6	-55.5	176.1	0	0	0	108.4	F161 V163 L167 V222 F225 T252 V253 L254	F161-I234 HydrophobicContact CD1-CG1 4.17Å; F161-I234 HydrophobicContact CD1-CG2 4.04Å; F161-I234 CarbonylContact O-C 3.5Å; F161-I234 VanDerWaalsContact O-CA 3.29Å; F161-I234 WeakPolarHBondContact O-CA 3.47Å; V163-I234 HydrophobicContact CG1-CG2 4.25Å; L167-I234 HydrophobicContact CD1-CD1 3.82Å; L167-I234 HydrophobicContact CD2-CD1 3.75Å; L167-I234 HydrophobicContact CG-CD1 3.91Å; V222-I234 HydrophobicContact CG1-CD1 4.09Å; V222-I234 HydrophobicContact CG2-CD1 4.46Å; F225-I234 HydrophobicContact CD1-CD1 4.27Å; I234-T252 PolarHBondContact N-O 2.8Å; I234-V253 HydrophobicContact CB-CG1 4.39Å; I234-V253 HydrophobicContact CB-CG2 4.2Å; I234-V253 HydrophobicContact CD1-CG2 4.42Å; I234-V253 CarbonylContact O-C 3.51Å; I234-V253 VanDerWaalsContact O-CA 3.3Å; I234-V253 WeakPolarHBondContact O-CA 3.18Å; I234-L254 PolarHBondContact O-N 3.27Å
235	C	98.9	Very high	98.2	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	126.5	170.5	-169.4	0	0	0	0	108.7	I160 F161 C162 V163 M233 L254	I160-C235 HydrophobicContact CG2-CB 3.89Å; F161-C235 PolarHBondContact O-N 3.25Å; C162-C235 VanDerWaalsContact CA-O 3.23Å; C162-C235 WeakPolarHBondContact CA-O 3.25Å; V163-C235 PolarHBondContact N-O 2.91Å; V163-C235 VanDerWaalsContact N-O 3.08Å; M233-C235 HydrophobicContact CE-CB 4.16Å; C235-L254 CarbonylContact C-O 3.58Å; C235-L254 WeakPolarHBondContact CA-O 3.21Å
236	R	98.9	Very high	98.2	Very high	0 Å²	0	44 Å²	44	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	172.4	-174.5	68.6	83.2	56.7	158.1	14.1	113.2	M80 V163 H164 G165 S198 D199 H238 Q239 V253 L254 T255 V256	M80-R236 WeakPolarHBondContact CE-O 3.31Å; V163-R236 HydrophobicContact CG1-CB 4.24Å; V163-R236 WeakPolarHBondContact O-CA 2.96Å; V163-R236 WeakPolarHBondContact O-CB 3.43Å; H164-R236 PolarHBondContact O-NE 2.94Å; G165-R236 VanDerWaalsContact C-NH2 3.34Å; G165-R236 PolarHBondContact O-NE 2.89Å; G165-R236 PolarHBondContact O-NH2 2.68Å; S198-R236 PolarHBondContact O-NH2 2.78Å; D199-R236 IonicContact OD1-CZ 2.8Å; D199-R236 IonicContact OD1-NH1 2.68Å; D199-R236 PolarHBondContact OD1-NH1 3.39Å; D199-R236 VanDerWaalsContact OD1-NH1 3.11Å; D199-R236 IonicContact OD1-NH2 3.85Å; D199-R236 PolarHBondContact OD1-NH2 2.97Å; R236-H238 PolarHBondContact NH2-CD2 2.61Å; R236-Q239 VanDerWaalsContact NH1-CG 3.28Å; R236-Q239 VanDerWaalsContact NH1-OE1 3.15Å; R236-V253 HydrophobicContact CG-CG1 3.97Å; R236-L254 PolarHBondContact N-O 2.93Å; R236-T255 VanDerWaalsContact CD-OG1 3.24Å; R236-T255 WeakPolarHBondContact CD-OG1 3.39Å; R236-T255 CarbonylContact O-C 3.11Å; R236-T255 VanDerWaalsContact O-CA 3.29Å; R236-T255 WeakPolarHBondContact O-CA 3.4Å; R236-V256 PolarHBondContact O-N 3.29Å
237	A	98.9	Very high	98.2	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	25%	0.247	C	C	.	.			trans	-123.4	-128.8	-174.9	0	0	0	0	0	111.5	D54 M80 H164 Q239 V256	D54-A237 WeakPolarHBondContact OD1-CB 3.48Å; M80-A237 HydrophobicContact CB-CB 3.92Å; M80-A237 HydrophobicContact CE-CB 4.07Å; H164-A237 CarbonylContact O-C 3.58Å; H164-A237 PolarHBondContact O-N 2.83Å; A237-Q239 PolarHBondContact O-N 2.97Å; A237-V256 WeakPolarHBondContact CA-O 3.37Å
238	H	98.6	Very high	98.2	Very high	9 Å²	9	43.2 Å²	43.2	4%	0.042	22%	0.217	C	C	.	.			trans	65.7	-24.5	159.8	-171	64.1	0	0	0	119	D54 N114 H164 D199 R211 R236	D54-H238 PolarHBondContact OD1-N 3.35Å; N114-H238 PolarHBondContact OD1-CE1 3.45Å; N114-H238 PolarHBondContact OD1-ND1 3.21Å; H164-H238 AromaticContact CD2-ND1 3.74Å; H164-H238 AromaticContact CE1-ND1 3.99Å; H164-H238 WeakPolarHBondContact NE2-CB 3.11Å; H164-H238 AromaticContact NE2-CG 3.56Å; H164-H238 AromaticContact NE2-ND1 3.05Å; H164-H238 PolarHBondContact NE2-ND1 3.24Å; H164-H238 WeakPolarHBondContact O-CB 3.41Å; D199-H238 IonicContact OD1-CD2 3.66Å; D199-H238 PolarHBondContact OD1-CD2 2.93Å; R211-H238 WeakPolarHBondContact CD-NE2 3.47Å; R211-H238 PolarHBondContact NE-NE2 3.42Å; R211-H238 VanDerWaalsContact NE-NE2 3.15Å; R211-H238 PolarHBondContact NH1-NE2 3.46Å; R211-H238 PolarHBondContact NH2-CD2 3.02Å; R211-H238 PolarHBondContact NH2-NE2 3.08Å; R211-H238 PolarHBondContact NH2-O 3.36Å; R236-H238 PolarHBondContact NH2-CD2 2.61Å
239	Q	98.1	Very high	98.1	Very high	44 Å²	44	41.1 Å²	41.1	21%	0.206	20%	0.196	C	C	.	.	S	Bend	trans	-108.9	121.7	173.5	-83.8	175.9	-36.3	0	0	109.9	D199 R211 R236 A237 V241 T255 W257	D199-Q239 WeakPolarHBondContact OD1-CG 3.12Å; D199-Q239 PolarHBondContact OD1-NE2 2.84Å; D199-Q239 PolarHBondContact OD2-NE2 3.01Å; D199-Q239 VanDerWaalsContact OD2-NE2 3.16Å; R211-Q239 VanDerWaalsContact NH2-CG 3.26Å; R236-Q239 VanDerWaalsContact NH1-CG 3.28Å; R236-Q239 VanDerWaalsContact NH1-OE1 3.15Å; A237-Q239 PolarHBondContact O-N 2.97Å; Q239-V241 PolarHBondContact O-N 3.13Å; Q239-T255 HydrophobicContact CB-CG2 4.22Å; Q239-T255 WeakPolarHBondContact O-CG2 3.45Å; Q239-W257 VanDerWaalsContact C-CE3 3.49Å
240	L	97.7	Very high	97.9	Very high	69 Å²	69	47.6 Å²	47.6	36%	0.361	23%	0.231	S	C	.	.			trans	-55.8	123.9	168.9	176.5	67.6	0	0	0	109.7	W257 Y262 C266 N268	L240-W257 HydrophobicContact CB-CE3 4.45Å; L240-W257 HydrophobicContact CB-CH2 4.28Å; L240-W257 HydrophobicContact CB-CZ2 4.37Å; L240-W257 HydrophobicContact CB-CZ3 4.3Å; L240-W257 HydrophobicContact CD1-CD2 4.05Å; L240-W257 HydrophobicContact CD1-CG 4.38Å; L240-W257 HydrophobicContact CD1-CZ2 3.83Å; L240-Y262 HydrophobicContact CD1-CD1 4.42Å; L240-Y262 HydrophobicContact CD2-CD1 4.35Å; L240-C266 HydrophobicContact CD2-CB 3.99Å; L240-N268 HydrophobicContact CD1-CB 4Å
241	V	96.8	Very high	97.9	Very high	9 Å²	9	48.4 Å²	48.4	6%	0.055	23%	0.231	C	C	.	.			trans	-123.3	130.1	173.5	-70.6	0	0	0	0	108.7	Q239 E243 G244 K246 T255 W257	Q239-V241 PolarHBondContact O-N 3.13Å; V241-E243 PolarHBondContact O-N 2.89Å; V241-G244 VanDerWaalsContact CG2-C 3.46Å; V241-G244 PolarHBondContact O-N 3.24Å; V241-K246 HydrophobicContact CB-CB 4.26Å; V241-K246 HydrophobicContact CG1-CB 3.62Å; V241-K246 HydrophobicContact CG1-CD 4.2Å; V241-T255 HydrophobicContact CG1-CG2 3.87Å; V241-T255 HydrophobicContact CG2-CG2 4.32Å; V241-W257 HydrophobicContact CG2-CB 3.56Å; V241-W257 HydrophobicContact CG2-CG 4.49Å
242	M	97.7	Very high	97.8	Very high	91 Å²	91	49.9 Å²	49.9	45%	0.448	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66	-31.4	-170.1	-70.8	-57.6	-58.3	0	0	112.4	G244 C266 N268 V269	M242-G244 VanDerWaalsContact C-N 3.33Å; M242-C266 WeakPolarHBondContact CE-O 3.17Å; M242-N268 HydrophobicContact CE-CB 4.06Å; M242-N268 WeakPolarHBondContact O-CA 3.44Å; M242-N268 HydrophobicContact SD-CB 3.92Å; M242-V269 PolarHBondContact O-N 2.98Å
243	E	97.6	Very high	97.9	Very high	120 Å²	120	45.3 Å²	45.3	56%	0.561	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.9	3.8	-178.5	-58	76.4	-168.1	0	0	113	V241 Y245 V269	V241-E243 PolarHBondContact O-N 2.89Å; E243-Y245 PolarHBondContact O-N 2.87Å; E243-Y245 VanDerWaalsContact O-N 3.15Å; E243-V269 WeakPolarHBondContact O-CG2 3.32Å
244	G	97.9	Very high	97.9	Very high	0 Å²	0	45 Å²	45	0%	0	22%	0.215	C	C	.	.	S	Bend	trans	79.4	-22.2	-178.2	0	0	0	0	0	114.4	V241 M242 W257 V269	V241-G244 VanDerWaalsContact CG2-C 3.46Å; V241-G244 PolarHBondContact O-N 3.24Å; M242-G244 VanDerWaalsContact C-N 3.33Å; G244-W257 PolarHBondContact O-N 3.35Å; G244-V269 WeakPolarHBondContact CA-O 3.35Å
245	Y	98.5	Very high	97.9	Very high	73 Å²	73	45 Å²	45	29%	0.286	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	159.6	168.6	72.9	-83.4	0	0	0	111.9	E243 L254 T255 A271 F283 I285	E243-Y245 PolarHBondContact O-N 2.87Å; E243-Y245 VanDerWaalsContact O-N 3.15Å; Y245-L254 HydrophobicContact CD2-CD1 3.92Å; Y245-L254 HydrophobicContact CG-CD1 4.5Å; Y245-T255 CarbonylContact C-O 3.58Å; Y245-T255 WeakPolarHBondContact CA-O 3.29Å; Y245-T255 WeakPolarHBondContact CB-O 3.39Å; Y245-A271 HydrophobicContact CD1-CB 4.12Å; Y245-F283 HydrophobicContact CD1-CB 4.43Å; Y245-F283 AromaticContact CD1-CD1 3.77Å; Y245-F283 HydrophobicContact CD1-CD1 3.77Å; Y245-F283 HydrophobicContact CD1-CE1 4.21Å; Y245-F283 HydrophobicContact CD1-CG 4.15Å; Y245-F283 HydrophobicContact CD2-CD1 4.07Å; Y245-F283 AromaticContact CD2-CE1 3.68Å; Y245-F283 HydrophobicContact CD2-CE1 3.68Å; Y245-F283 HydrophobicContact CD2-CE2 4.4Å; Y245-F283 AromaticContact CD2-CZ 3.87Å; Y245-F283 HydrophobicContact CD2-CZ 3.87Å; Y245-F283 HydrophobicContact CE1-CB 4.17Å; Y245-F283 HydrophobicContact CE1-CD1 4.14Å; Y245-F283 HydrophobicContact CE1-CG 4.05Å; Y245-F283 HydrophobicContact CE2-CD1 4.42Å; Y245-F283 HydrophobicContact CE2-CD2 4.36Å; Y245-F283 HydrophobicContact CE2-CE1 4.23Å; Y245-F283 HydrophobicContact CE2-CE2 4.18Å; Y245-F283 HydrophobicContact CE2-CG 4.47Å; Y245-F283 HydrophobicContact CE2-CZ 4.1Å; Y245-F283 AromaticContact CG-CD1 3.73Å; Y245-F283 HydrophobicContact CG-CD1 3.73Å; Y245-F283 AromaticContact CG-CE1 3.67Å; Y245-F283 HydrophobicContact CG-CE1 3.67Å; Y245-F283 HydrophobicContact CG-CG 4.4Å; Y245-F283 HydrophobicContact CG-CZ 4.33Å; Y245-I285 HydrophobicContact CE1-CD1 4.18Å
246	K	98.3	Very high	97.9	Very high	98 Å²	98	45 Å²	45	43%	0.426	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	130.5	176.2	-178.1	178.1	174.5	-176.6	0	111.5	V241 H248 T255	V241-K246 HydrophobicContact CB-CB 4.26Å; V241-K246 HydrophobicContact CG1-CB 3.62Å; V241-K246 HydrophobicContact CG1-CD 4.2Å; K246-H248 PolarHBondContact O-CD2 3.37Å; K246-T255 PolarHBondContact N-O 2.99Å; K246-T255 PolarHBondContact O-N 2.88Å
247	W	98.2	Very high	97.9	Very high	66 Å²	66	45.2 Å²	45.2	25%	0.25	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	141.9	168	-71	108.2	0	0	0	111.3	M233 E251 V253 L254 K281 F283	M233-W247 HydrophobicContact CE-CH2 3.62Å; M233-W247 HydrophobicContact CE-CZ3 3.58Å; M233-W247 HydrophobicContact SD-CH2 3.77Å; M233-W247 HydrophobicContact SD-CZ3 4.05Å; W247-E251 HydrophobicContact CB-CG 4.17Å; W247-E251 HydrophobicContact CD2-CB 3.99Å; W247-E251 HydrophobicContact CD2-CG 3.99Å; W247-E251 VanDerWaalsContact CE3-CA 3.43Å; W247-E251 HydrophobicContact CE3-CB 3.73Å; W247-E251 HydrophobicContact CE3-CG 4.25Å; W247-E251 HydrophobicContact CG-CB 4.45Å; W247-E251 HydrophobicContact CG-CG 3.98Å; W247-E251 HydrophobicContact CZ3-CB 4.06Å; W247-E251 WeakPolarHBondContact CZ3-O 3.37Å; W247-V253 CarbonylContact C-O 3.54Å; W247-V253 WeakPolarHBondContact CA-O 3.49Å; W247-L254 HydrophobicContact CD2-CB 4.37Å; W247-L254 HydrophobicContact CD2-CD1 3.83Å; W247-L254 HydrophobicContact CE3-CB 3.78Å; W247-L254 HydrophobicContact CE3-CD1 4.12Å; W247-L254 HydrophobicContact CG-CD1 4.28Å; W247-L254 HydrophobicContact CH2-CB 4.06Å; W247-L254 HydrophobicContact CH2-CD1 4.45Å; W247-L254 HydrophobicContact CH2-CD2 4.2Å; W247-L254 HydrophobicContact CH2-CG 4.48Å; W247-L254 HydrophobicContact CZ2-CD1 4.13Å; W247-L254 HydrophobicContact CZ2-CD2 4.27Å; W247-L254 HydrophobicContact CZ3-CB 3.64Å; W247-L254 HydrophobicContact CZ3-CD1 4.46Å; W247-L254 HydrophobicContact CZ3-CG 4.46Å; W247-K281 HydrophobicContact CH2-CD 3.99Å; W247-K281 HydrophobicContact CZ2-CD 4.13Å; W247-F283 HydrophobicContact CZ2-CE2 4.38Å; W247-F283 HydrophobicContact CZ2-CZ 4.02Å
248	H	98.1	Very high	97.9	Very high	13 Å²	13	45.3 Å²	45.3	6%	0.06	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	157.4	172.7	-50	-113.3	0	0	0	109.6	P200 K246 N250 E251 T252 V253 T255	P200-H248 HydrophobicContact CB-CB 4.46Å; P200-H248 VanDerWaalsContact CG-CE1 3.5Å; P200-H248 WeakPolarHBondContact CG-CE1 3.47Å; K246-H248 PolarHBondContact O-CD2 3.37Å; H248-N250 PolarHBondContact O-N 3.16Å; H248-E251 PolarHBondContact O-N 3.29Å; H248-E251 VanDerWaalsContact O-N 3.13Å; H248-T252 PolarHBondContact O-N 2.87Å; H248-V253 HydrophobicContact CB-CB 4.17Å; H248-V253 PolarHBondContact N-O 2.98Å; H248-V253 PolarHBondContact O-N 2.94Å; H248-T255 PolarHBondContact NE2-OG1 3.05Å
249	F	97.1	Very high	97.9	Very high	21 Å²	21	44.9 Å²	44.9	9%	0.092	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.3	55.5	167.3	-46.3	-37.9	0	0	0	114.6	P200 E201 F217 V222 E251 T252 V253	P200-F249 HydrophobicContact CB-CE2 3.62Å; P200-F249 HydrophobicContact CB-CZ 3.72Å; E201-F249 VanDerWaalsContact O-CE1 3.23Å; E201-F249 WeakPolarHBondContact O-CE1 3.46Å; E201-F249 VanDerWaalsContact O-CZ 3.23Å; E201-F249 WeakPolarHBondContact O-CZ 3.43Å; F217-F249 HydrophobicContact CD2-CE2 4.22Å; F217-F249 HydrophobicContact CE2-CE2 4.25Å; F217-F249 VanDerWaalsContact O-CZ 3.29Å; F217-F249 WeakPolarHBondContact O-CZ 3.36Å; V222-F249 HydrophobicContact CB-CD2 4.4Å; V222-F249 HydrophobicContact CG2-CD2 3.79Å; V222-F249 HydrophobicContact CG2-CE2 3.92Å; F249-E251 VanDerWaalsContact C-N 3.35Å; F249-E251 PolarHBondContact O-N 2.91Å; F249-T252 WeakPolarHBondContact CB-OG1 3.45Å; F249-T252 PolarHBondContact O-N 3.5Å; F249-T252 PolarHBondContact O-OG1 2.83Å; F249-V253 HydrophobicContact CD2-CB 4.39Å; F249-V253 HydrophobicContact CD2-CG2 3.8Å; F249-V253 HydrophobicContact CE2-CG2 4.3Å
250	N	94.6	Very high	97.9	Very high	163 Å²	163	42.8 Å²	42.8	87%	0.872	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.8	48.5	-177.3	-57.7	-31.9	0	0	0	112.9	H248 T252	H248-N250 PolarHBondContact O-N 3.16Å; N250-T252 VanDerWaalsContact C-N 3.28Å; N250-T252 PolarHBondContact O-N 3.32Å
251	E	96.6	Very high	97.8	Very high	130 Å²	130	41.6 Å²	41.6	61%	0.607	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	65.1	24.1	175.4	-53.9	-179.9	176.8	0	0	115	W247 H248 F249	W247-E251 HydrophobicContact CB-CG 4.17Å; W247-E251 HydrophobicContact CD2-CB 3.99Å; W247-E251 HydrophobicContact CD2-CG 3.99Å; W247-E251 VanDerWaalsContact CE3-CA 3.43Å; W247-E251 HydrophobicContact CE3-CB 3.73Å; W247-E251 HydrophobicContact CE3-CG 4.25Å; W247-E251 HydrophobicContact CG-CB 4.45Å; W247-E251 HydrophobicContact CG-CG 3.98Å; W247-E251 HydrophobicContact CZ3-CB 4.06Å; W247-E251 WeakPolarHBondContact CZ3-O 3.37Å; H248-E251 PolarHBondContact O-N 3.29Å; H248-E251 VanDerWaalsContact O-N 3.13Å; F249-E251 VanDerWaalsContact C-N 3.35Å; F249-E251 PolarHBondContact O-N 2.91Å
252	T	97.8	Very high	97.7	Very high	40 Å²	40	42.4 Å²	42.4	25%	0.245	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.4	-16.6	175.3	57.4	0	0	0	0	113.4	M233 I234 H248 F249 N250	M233-T252 WeakPolarHBondContact CA-O 3.34Å; I234-T252 PolarHBondContact N-O 2.8Å; H248-T252 PolarHBondContact O-N 2.87Å; F249-T252 WeakPolarHBondContact CB-OG1 3.45Å; F249-T252 PolarHBondContact O-N 3.5Å; F249-T252 PolarHBondContact O-OG1 2.83Å; N250-T252 VanDerWaalsContact C-N 3.28Å; N250-T252 PolarHBondContact O-N 3.32Å
253	V	98.8	Very high	97.3	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	130.8	171.5	-176.2	0	0	0	0	109.6	F217 V222 I234 R236 W247 H248 F249	F217-V253 HydrophobicContact CE2-CG2 4.48Å; V222-V253 HydrophobicContact CB-CG2 4.31Å; V222-V253 HydrophobicContact CG1-CG2 3.71Å; V222-V253 HydrophobicContact CG2-CG2 3.69Å; I234-V253 HydrophobicContact CB-CG1 4.39Å; I234-V253 HydrophobicContact CB-CG2 4.2Å; I234-V253 HydrophobicContact CD1-CG2 4.42Å; I234-V253 CarbonylContact O-C 3.51Å; I234-V253 VanDerWaalsContact O-CA 3.3Å; I234-V253 WeakPolarHBondContact O-CA 3.18Å; R236-V253 HydrophobicContact CG-CG1 3.97Å; W247-V253 CarbonylContact C-O 3.54Å; W247-V253 WeakPolarHBondContact CA-O 3.49Å; H248-V253 HydrophobicContact CB-CB 4.17Å; H248-V253 PolarHBondContact N-O 2.98Å; H248-V253 PolarHBondContact O-N 2.94Å; F249-V253 HydrophobicContact CD2-CB 4.39Å; F249-V253 HydrophobicContact CD2-CG2 3.8Å; F249-V253 HydrophobicContact CE2-CG2 4.3Å
254	L	98.8	Very high	96.9	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	125.1	174.2	177.5	64.5	0	0	0	109.5	M233 I234 C235 R236 Y245 W247 V256 L273 F283	M233-L254 HydrophobicContact CE-CB 3.45Å; M233-L254 VanDerWaalsContact CE-CB 3.45Å; M233-L254 HydrophobicContact CE-CD2 3.97Å; M233-L254 HydrophobicContact CE-CG 4.39Å; I234-L254 PolarHBondContact O-N 3.27Å; C235-L254 CarbonylContact C-O 3.58Å; C235-L254 WeakPolarHBondContact CA-O 3.21Å; R236-L254 PolarHBondContact N-O 2.93Å; Y245-L254 HydrophobicContact CD2-CD1 3.92Å; Y245-L254 HydrophobicContact CG-CD1 4.5Å; W247-L254 HydrophobicContact CD2-CB 4.37Å; W247-L254 HydrophobicContact CD2-CD1 3.83Å; W247-L254 HydrophobicContact CE3-CB 3.78Å; W247-L254 HydrophobicContact CE3-CD1 4.12Å; W247-L254 HydrophobicContact CG-CD1 4.28Å; W247-L254 HydrophobicContact CH2-CB 4.06Å; W247-L254 HydrophobicContact CH2-CD1 4.45Å; W247-L254 HydrophobicContact CH2-CD2 4.2Å; W247-L254 HydrophobicContact CH2-CG 4.48Å; W247-L254 HydrophobicContact CZ2-CD1 4.13Å; W247-L254 HydrophobicContact CZ2-CD2 4.27Å; W247-L254 HydrophobicContact CZ3-CB 3.64Å; W247-L254 HydrophobicContact CZ3-CD1 4.46Å; W247-L254 HydrophobicContact CZ3-CG 4.46Å; L254-V256 HydrophobicContact CD2-CG2 3.8Å; L254-V256 HydrophobicContact CG-CG2 3.83Å; L254-L273 HydrophobicContact CD2-CD1 4.36Å; L254-L273 HydrophobicContact CD2-CD2 3.79Å; L254-L273 HydrophobicContact CD2-CG 4.49Å; L254-F283 HydrophobicContact CD1-CE1 3.91Å; L254-F283 HydrophobicContact CD1-CZ 3.83Å; L254-F283 HydrophobicContact CD2-CE1 3.76Å; L254-F283 HydrophobicContact CD2-CZ 3.74Å; L254-F283 HydrophobicContact CG-CE1 4.41Å; L254-F283 HydrophobicContact CG-CZ 4.45Å
255	T	98.9	Very high	96.5	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	126.5	165.4	-62.7	0	0	0	0	108.8	R236 Q239 V241 Y245 K246 H248	R236-T255 VanDerWaalsContact CD-OG1 3.24Å; R236-T255 WeakPolarHBondContact CD-OG1 3.39Å; R236-T255 CarbonylContact O-C 3.11Å; R236-T255 VanDerWaalsContact O-CA 3.29Å; R236-T255 WeakPolarHBondContact O-CA 3.4Å; Q239-T255 HydrophobicContact CB-CG2 4.22Å; Q239-T255 WeakPolarHBondContact O-CG2 3.45Å; V241-T255 HydrophobicContact CG1-CG2 3.87Å; V241-T255 HydrophobicContact CG2-CG2 4.32Å; Y245-T255 CarbonylContact C-O 3.58Å; Y245-T255 WeakPolarHBondContact CA-O 3.29Å; Y245-T255 WeakPolarHBondContact CB-O 3.39Å; K246-T255 PolarHBondContact N-O 2.99Å; K246-T255 PolarHBondContact O-N 2.88Å; H248-T255 PolarHBondContact NE2-OG1 3.05Å
256	V	98.8	Very high	96.3	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	135.3	174.8	-176.1	0	0	0	0	109.2	M80 R236 A237 L254 L273	M80-V256 HydrophobicContact CE-CB 3.85Å; M80-V256 HydrophobicContact CE-CG2 4.22Å; R236-V256 PolarHBondContact O-N 3.29Å; A237-V256 WeakPolarHBondContact CA-O 3.37Å; L254-V256 HydrophobicContact CD2-CG2 3.8Å; L254-V256 HydrophobicContact CG-CG2 3.83Å; V256-L273 HydrophobicContact CG2-CB 4.36Å
257	W	98.7	Very high	96.1	Very high	4 Å²	4	39.7 Å²	39.7	2%	0.015	20%	0.202	C	C	.	.			trans	-130.3	123.6	-179.4	-175.7	-88	0	0	0	110.9	D54 H56 Q239 L240 V241 G244 A259 Y262 N268 A270 A271	D54-W257 HydrophobicContact CB-CD2 4.41Å; D54-W257 HydrophobicContact CB-CE3 4.03Å; D54-W257 HydrophobicContact CB-CH2 3.95Å; D54-W257 HydrophobicContact CB-CZ2 4.33Å; D54-W257 HydrophobicContact CB-CZ3 3.8Å; D54-W257 VanDerWaalsContact CG-CZ3 3.43Å; D54-W257 WeakPolarHBondContact OD2-CH2 3.18Å; D54-W257 WeakPolarHBondContact OD2-CZ3 3.43Å; H56-W257 AromaticContact CD2-CH2 3.98Å; Q239-W257 VanDerWaalsContact C-CE3 3.49Å; L240-W257 HydrophobicContact CB-CE3 4.45Å; L240-W257 HydrophobicContact CB-CH2 4.28Å; L240-W257 HydrophobicContact CB-CZ2 4.37Å; L240-W257 HydrophobicContact CB-CZ3 4.3Å; L240-W257 HydrophobicContact CD1-CD2 4.05Å; L240-W257 HydrophobicContact CD1-CG 4.38Å; L240-W257 HydrophobicContact CD1-CZ2 3.83Å; V241-W257 HydrophobicContact CG2-CB 3.56Å; V241-W257 HydrophobicContact CG2-CG 4.49Å; G244-W257 PolarHBondContact O-N 3.35Å; W257-A259 HydrophobicContact CZ2-CB 4.17Å; W257-A259 PolarHBondContact NE1-O 2.96Å; W257-Y262 HydrophobicContact CH2-CD1 4.39Å; W257-Y262 HydrophobicContact CH2-CD2 4.42Å; W257-Y262 HydrophobicContact CH2-CE1 4.25Å; W257-Y262 HydrophobicContact CH2-CE2 4.3Å; W257-Y262 HydrophobicContact CH2-CG 4.44Å; W257-Y262 AromaticContact CZ2-CD1 3.91Å; W257-Y262 HydrophobicContact CZ2-CD1 3.91Å; W257-Y262 AromaticContact CZ2-CD2 3.67Å; W257-Y262 HydrophobicContact CZ2-CD2 3.67Å; W257-Y262 HydrophobicContact CZ2-CE1 4.19Å; W257-Y262 AromaticContact CZ2-CE2 3.98Å; W257-Y262 HydrophobicContact CZ2-CE2 3.98Å; W257-Y262 AromaticContact CZ2-CG 3.6Å; W257-Y262 HydrophobicContact CZ2-CG 3.6Å; W257-N268 VanDerWaalsContact CD1-ND2 3.29Å; W257-N268 PolarHBondContact NE1-ND2 3.17Å; W257-A270 CarbonylContact O-C 3.49Å; W257-A270 WeakPolarHBondContact O-CA 2.88Å; W257-A271 PolarHBondContact O-N 3.38Å
258	S	98.8	Very high	96.1	Very high	2 Å²	2	36.8 Å²	36.8	1%	0.014	19%	0.192	C	C	.	.			trans	-114.8	11.4	-170.3	-58.8	0	0	0	0	114.4	G53 D54 P260 A271	G53-S258 PolarHBondContact N-OG 2.76Å; D54-S258 CarbonylContact O-C 3.57Å; D54-S258 WeakPolarHBondContact O-CA 3.36Å; D54-S258 WeakPolarHBondContact O-CB 3.15Å; D54-S258 PolarHBondContact O-N 2.98Å; S258-P260 WeakPolarHBondContact O-CD 3.44Å; S258-A271 PolarHBondContact OG-O 3.27Å
259	A	98.3	Very high	96.1	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	20%	0.199	C	C	.	.			trans	-110	91.7	177.7	0	0	0	0	0	111.6	D54 W257 Y262 N268	D54-A259 WeakPolarHBondContact O-CB 3.37Å; D54-A259 PolarHBondContact O-N 2.95Å; W257-A259 HydrophobicContact CZ2-CB 4.17Å; W257-A259 PolarHBondContact NE1-O 2.96Å; A259-Y262 HydrophobicContact CB-CD2 4.31Å; A259-N268 PolarHBondContact O-ND2 2.81Å
260	P	97.5	Very high	96.1	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.8	149	-176.1	30.6	-34.9	0	0	0	111.3	Q58 D61 S258 Y262 A270 F286 A288	Q58-P260 PolarHBondContact NE2-O 3.25Å; D61-P260 HydrophobicContact CB-CG 3.76Å; S258-P260 WeakPolarHBondContact O-CD 3.44Å; P260-Y262 VanDerWaalsContact C-N 3.27Å; P260-Y262 PolarHBondContact O-N 3.09Å; P260-A270 HydrophobicContact CB-CB 3.71Å; P260-A270 VanDerWaalsContact CD-CB 3.49Å; P260-A270 HydrophobicContact CG-CB 3.97Å; P260-F286 HydrophobicContact CG-CD2 4.3Å; P260-F286 HydrophobicContact CG-CE2 3.99Å; P260-A288 HydrophobicContact CB-CB 4.18Å; P260-A288 HydrophobicContact CG-CB 4.26Å
261	N	95.3	Very high	96.3	Very high	43 Å²	43	29.1 Å²	29.1	23%	0.23	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	42.8	55.5	-172.8	-174.6	28.2	0	0	0	111.7	Y264 R265 C266 G267 N268 A288	N261-Y264 WeakPolarHBondContact O-CA 3.22Å; N261-Y264 PolarHBondContact O-N 2.76Å; N261-R265 PolarHBondContact OD1-N 3.22Å; N261-C266 PolarHBondContact OD1-N 3.45Å; N261-G267 PolarHBondContact OD1-N 3.22Å; N261-N268 PolarHBondContact N-O 3.39Å; N261-N268 PolarHBondContact N-OD1 3.38Å; N261-A288 HydrophobicContact CB-CB 3.9Å
262	Y	95.1	Very high	96.4	Very high	27 Å²	27	23 Å²	23	11%	0.106	13%	0.125	C	C	.	.	G	3₁₀ helix	trans	-50.7	141.1	-172.3	177.5	-125.4	0	0	0	112.3	H56 R86 L240 W257 A259 P260 Y264 R265 C266 N268	H56-Y262 HydrophobicContact CB-CD2 4.46Å; H56-Y262 HydrophobicContact CB-CE2 3.81Å; H56-Y262 AromaticContact CD2-CE2 3.17Å; H56-Y262 WeakPolarHBondContact CD2-CE2 3.29Å; H56-Y262 AromaticContact CD2-CZ 3.61Å; H56-Y262 PolarHBondContact CD2-OH 3.2Å; H56-Y262 AromaticContact CG-CE2 3.66Å; H56-Y262 AromaticContact NE2-CE2 3.82Å; H56-Y262 AromaticContact NE2-CZ 3.76Å; H56-Y262 PolarHBondContact NE2-OH 2.93Å; R86-Y262 HydrophobicContact CB-CE2 4.19Å; R86-Y262 HydrophobicContact CG-CE2 4.17Å; R86-Y262 WeakPolarHBondContact CG-OH 3.33Å; L240-Y262 HydrophobicContact CD1-CD1 4.42Å; L240-Y262 HydrophobicContact CD2-CD1 4.35Å; W257-Y262 HydrophobicContact CH2-CD1 4.39Å; W257-Y262 HydrophobicContact CH2-CD2 4.42Å; W257-Y262 HydrophobicContact CH2-CE1 4.25Å; W257-Y262 HydrophobicContact CH2-CE2 4.3Å; W257-Y262 HydrophobicContact CH2-CG 4.44Å; W257-Y262 AromaticContact CZ2-CD1 3.91Å; W257-Y262 HydrophobicContact CZ2-CD1 3.91Å; W257-Y262 AromaticContact CZ2-CD2 3.67Å; W257-Y262 HydrophobicContact CZ2-CD2 3.67Å; W257-Y262 HydrophobicContact CZ2-CE1 4.19Å; W257-Y262 AromaticContact CZ2-CE2 3.98Å; W257-Y262 HydrophobicContact CZ2-CE2 3.98Å; W257-Y262 AromaticContact CZ2-CG 3.6Å; W257-Y262 HydrophobicContact CZ2-CG 3.6Å; A259-Y262 HydrophobicContact CB-CD2 4.31Å; P260-Y262 VanDerWaalsContact C-N 3.27Å; P260-Y262 PolarHBondContact O-N 3.09Å; Y262-Y264 PolarHBondContact O-N 3.07Å; Y262-R265 PolarHBondContact O-N 2.68Å; Y262-C266 WeakPolarHBondContact O-CB 3.43Å; Y262-C266 PolarHBondContact O-N 3.42Å; Y262-C266 PolarHBondContact O-SG 2.97Å; Y262-C266 VanDerWaalsContact O-SG 3.35Å; Y262-N268 WeakPolarHBondContact CB-OD1 3.42Å; Y262-N268 PolarHBondContact N-OD1 2.85Å
263	C	90.1	Very high	96.5	Very high	11 Å²	11	21 Å²	21	7%	0.074	11%	0.113	C	C	.	.	G	3₁₀ helix	trans	53	22.7	-174.2	-73.6	0	0	0	0	113.4	R265 F306	C263-R265 HydrophobicContact CB-CG 4.05Å; C263-R265 PolarHBondContact O-N 2.95Å; C263-F306 HydrophobicContact CB-CD1 3.88Å
264	Y	88.9	Confident	96.5	Very high	67 Å²	67	23.6 Å²	23.6	26%	0.263	13%	0.125	S	C	.	.	G	3₁₀ helix	trans	61.8	18.4	-177.1	-42.7	-65.4	0	0	0	114.7	G87 F88 N261 Y262 F306	G87-Y264 WeakPolarHBondContact CA-OH 3.16Å; F88-Y264 HydrophobicContact CD2-CD2 4.42Å; F88-Y264 AromaticContact CD2-CE2 3.45Å; F88-Y264 HydrophobicContact CD2-CE2 3.45Å; F88-Y264 VanDerWaalsContact CD2-CE2 3.45Å; F88-Y264 AromaticContact CD2-CZ 3.69Å; F88-Y264 WeakPolarHBondContact CD2-OH 3.46Å; F88-Y264 AromaticContact CE2-CD2 3.85Å; F88-Y264 HydrophobicContact CE2-CD2 3.85Å; F88-Y264 AromaticContact CE2-CE2 3.28Å; F88-Y264 HydrophobicContact CE2-CE2 3.28Å; F88-Y264 AromaticContact CE2-CZ 3.97Å; F88-Y264 HydrophobicContact CG-CE2 4.46Å; F88-Y264 HydrophobicContact CZ-CE2 4.2Å; F88-Y264 PolarHBondContact N-OH 3.16Å; N261-Y264 WeakPolarHBondContact O-CA 3.22Å; N261-Y264 PolarHBondContact O-N 2.76Å; Y262-Y264 PolarHBondContact O-N 3.07Å; Y264-F306 AromaticContact CD2-CE1 3.81Å; Y264-F306 HydrophobicContact CD2-CE1 3.81Å; Y264-F306 HydrophobicContact CD2-CZ 4.14Å; Y264-F306 AromaticContact CE2-CE1 3.66Å; Y264-F306 HydrophobicContact CE2-CE1 3.66Å; Y264-F306 AromaticContact CE2-CZ 3.8Å; Y264-F306 HydrophobicContact CE2-CZ 3.8Å
265	R	90.6	Very high	96.5	Very high	147 Å²	147	23.8 Å²	23.8	56%	0.555	13%	0.126	S	C	*	.	T	Hydrogen-bonded Turn	trans	-144.3	-22	-172.3	65.3	-176.1	-76.2	-154.8	-4.9	115.9	N261 Y262 C263 G267 F306	N261-R265 PolarHBondContact OD1-N 3.22Å; Y262-R265 PolarHBondContact O-N 2.68Å; C263-R265 HydrophobicContact CB-CG 4.05Å; C263-R265 PolarHBondContact O-N 2.95Å; R265-G267 VanDerWaalsContact C-N 3.32Å; R265-G267 PolarHBondContact O-N 3.31Å; R265-F306 PolarHBondContact NH1-O 2.96Å
266	C	92.7	Very high	96.4	Very high	44 Å²	44	26.9 Å²	26.9	30%	0.297	14%	0.143	S	C	.	.	S	Bend	trans	-72.5	-25	-172.2	-70.3	0	0	0	0	113.3	L240 M242 N261 Y262 N268	L240-C266 HydrophobicContact CD2-CB 3.99Å; M242-C266 WeakPolarHBondContact CE-O 3.17Å; N261-C266 PolarHBondContact OD1-N 3.45Å; Y262-C266 WeakPolarHBondContact O-CB 3.43Å; Y262-C266 PolarHBondContact O-N 3.42Å; Y262-C266 PolarHBondContact O-SG 2.97Å; Y262-C266 VanDerWaalsContact O-SG 3.35Å; C266-N268 WeakPolarHBondContact CB-OD1 3.46Å; C266-N268 PolarHBondContact O-N 3.21Å
267	G	94.7	Very high	96.3	Very high	55 Å²	55	33.5 Å²	33.5	57%	0.567	17%	0.173	S	C	*	.			trans	69.3	10.8	177.9	0	0	0	0	0	115.5	N261 R265	N261-G267 PolarHBondContact OD1-N 3.22Å; R265-G267 VanDerWaalsContact C-N 3.32Å; R265-G267 PolarHBondContact O-N 3.31Å
268	N	97.9	Very high	96.2	Very high	5 Å²	5	40 Å²	40	3%	0.027	20%	0.204	C	C	.	.			trans	-70	155.8	172.5	65.5	-71.8	0	0	0	111.7	L240 M242 W257 A259 N261 Y262 C266	L240-N268 HydrophobicContact CD1-CB 4Å; M242-N268 HydrophobicContact CE-CB 4.06Å; M242-N268 WeakPolarHBondContact O-CA 3.44Å; M242-N268 HydrophobicContact SD-CB 3.92Å; W257-N268 VanDerWaalsContact CD1-ND2 3.29Å; W257-N268 PolarHBondContact NE1-ND2 3.17Å; A259-N268 PolarHBondContact O-ND2 2.81Å; N261-N268 PolarHBondContact N-O 3.39Å; N261-N268 PolarHBondContact N-OD1 3.38Å; Y262-N268 WeakPolarHBondContact CB-OD1 3.42Å; Y262-N268 PolarHBondContact N-OD1 2.85Å; C266-N268 WeakPolarHBondContact CB-OD1 3.46Å; C266-N268 PolarHBondContact O-N 3.21Å
269	V	97.8	Very high	96.1	Very high	37 Å²	37	41.3 Å²	41.3	22%	0.224	21%	0.21	C	C	.	.			trans	-84.9	170.6	161.2	-59.6	0	0	0	0	110	M242 E243 G244 I285 E287	M242-V269 PolarHBondContact O-N 2.98Å; E243-V269 WeakPolarHBondContact O-CG2 3.32Å; G244-V269 WeakPolarHBondContact CA-O 3.35Å; V269-I285 HydrophobicContact CB-CG2 3.9Å; V269-I285 HydrophobicContact CG1-CG2 4.49Å; V269-I285 HydrophobicContact CG2-CG2 3.62Å; V269-E287 HydrophobicContact CG1-CG 4.3Å
270	A	98.6	Very high	96.1	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	158.1	171.3	0	0	0	0	0	110.7	W257 P260 I285 F286	W257-A270 CarbonylContact O-C 3.49Å; W257-A270 WeakPolarHBondContact O-CA 2.88Å; P260-A270 HydrophobicContact CB-CB 3.71Å; P260-A270 VanDerWaalsContact CD-CB 3.49Å; P260-A270 HydrophobicContact CG-CB 3.97Å; A270-I285 CarbonylContact O-C 3.57Å; A270-I285 WeakPolarHBondContact O-CA 3.4Å; A270-F286 HydrophobicContact CB-CD1 4.08Å; A270-F286 HydrophobicContact CB-CD2 4.13Å; A270-F286 HydrophobicContact CB-CE1 3.59Å; A270-F286 HydrophobicContact CB-CE2 3.66Å; A270-F286 HydrophobicContact CB-CG 4.33Å; A270-F286 HydrophobicContact CB-CZ 3.36Å; A270-F286 PolarHBondContact N-O 2.63Å; A270-F286 PolarHBondContact O-N 3.42Å
271	A	98.6	Very high	96.1	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	159.2	172.6	0	0	0	0	0	111.5	Y245 W257 S258 I284 I285	Y245-A271 HydrophobicContact CD1-CB 4.12Å; W257-A271 PolarHBondContact O-N 3.38Å; S258-A271 PolarHBondContact OG-O 3.27Å; A271-I284 VanDerWaalsContact CA-O 3.28Å; A271-I284 WeakPolarHBondContact CA-O 3.37Å; A271-I285 HydrophobicContact CB-CG1 4.49Å
272	I	98.7	Very high	96.2	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	147.7	161.2	54.3	-176.8	0	0	0	108.1	T50 C52 L65 V68 F283 I284 F286	T50-I272 HydrophobicContact CG2-CB 3.9Å; T50-I272 HydrophobicContact CG2-CD1 3.79Å; T50-I272 HydrophobicContact CG2-CG1 4.16Å; T50-I272 HydrophobicContact CG2-CG2 4.44Å; C52-I272 HydrophobicContact CB-CG2 4.32Å; L65-I272 HydrophobicContact CD1-CG2 3.82Å; L65-I272 HydrophobicContact CD2-CG2 4.36Å; L65-I272 HydrophobicContact CG-CG2 3.75Å; V68-I272 HydrophobicContact CG2-CD1 4.01Å; I272-F283 WeakPolarHBondContact O-CA 2.77Å; I272-I284 HydrophobicContact CD1-CB 4.08Å; I272-I284 HydrophobicContact CD1-CD1 4.4Å; I272-I284 HydrophobicContact CD1-CG2 4.46Å; I272-I284 HydrophobicContact CG1-CB 3.73Å; I272-I284 HydrophobicContact CG1-CG2 4.45Å; I272-I284 PolarHBondContact N-O 3Å; I272-I284 PolarHBondContact O-N 2.97Å; I272-I284 VanDerWaalsContact O-N 3.08Å; I272-F286 HydrophobicContact CG2-CE1 4.21Å
273	L	98.8	Very high	96.4	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	119.8	175	166.7	71.6	0	0	0	108.6	T50 V51 L254 V256 L275 K281 F283	T50-L273 CarbonylContact C-O 3.55Å; T50-L273 WeakPolarHBondContact CA-O 3.12Å; V51-L273 HydrophobicContact CB-CB 4.2Å; V51-L273 HydrophobicContact CB-CD2 4.3Å; V51-L273 HydrophobicContact CG2-CD2 4.31Å; V51-L273 PolarHBondContact N-O 3.36Å; V51-L273 PolarHBondContact O-N 2.88Å; L254-L273 HydrophobicContact CD2-CD1 4.36Å; L254-L273 HydrophobicContact CD2-CD2 3.79Å; L254-L273 HydrophobicContact CD2-CG 4.49Å; V256-L273 HydrophobicContact CG2-CB 4.36Å; L273-L275 HydrophobicContact CD1-CD2 4.36Å; L273-L275 HydrophobicContact CD2-CD1 4.29Å; L273-L275 HydrophobicContact CD2-CD2 4.27Å; L273-L275 HydrophobicContact CD2-CG 4.18Å; L273-L275 HydrophobicContact CG-CD2 4.35Å; L273-L275 HydrophobicContact CG-CG 4.18Å; L273-K281 HydrophobicContact CD1-CB 3.81Å; L273-K281 HydrophobicContact CD1-CG 4.07Å; L273-F283 HydrophobicContact CB-CE1 4.32Å; L273-F283 HydrophobicContact CD1-CD1 4.37Å; L273-F283 HydrophobicContact CD1-CE1 3.93Å; L273-F283 HydrophobicContact CD1-CE2 4.37Å; L273-F283 HydrophobicContact CD1-CZ 3.94Å
274	E	98.7	Very high	96.8	Very high	53 Å²	53	56.4 Å²	56.4	25%	0.248	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	128.5	169.9	-62.2	-166.1	149	0	0	109.7	T50 K281 D282 I284	T50-E274 HydrophobicContact CG2-CG 4.29Å; E274-K281 WeakPolarHBondContact O-CA 3.47Å; E274-D282 PolarHBondContact N-O 2.86Å; E274-D282 PolarHBondContact O-N 2.85Å; E274-I284 HydrophobicContact CG-CD1 4.17Å; E274-I284 HydrophobicContact CG-CG1 4.39Å; E274-I284 WeakPolarHBondContact OE1-CD1 3.19Å
275	L	98.7	Very high	97.2	Very high	4 Å²	4	57.7 Å²	57.7	2%	0.021	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	119.5	172	-65.7	169.4	0	0	0	108.4	P48 V49 V51 I156 I160 L273 L279 Q280 K281	P48-L275 CarbonylContact C-O 3.44Å; P48-L275 WeakPolarHBondContact CA-O 3.16Å; P48-L275 WeakPolarHBondContact CB-O 3.19Å; V49-L275 HydrophobicContact CG1-CB 4.21Å; V49-L275 HydrophobicContact CG1-CD1 4.09Å; V49-L275 PolarHBondContact N-O 3.41Å; V49-L275 PolarHBondContact O-N 3.17Å; V51-L275 HydrophobicContact CG2-CD1 4.13Å; I156-L275 HydrophobicContact CD1-CD1 3.61Å; I156-L275 HydrophobicContact CG2-CD1 4.17Å; I160-L275 HydrophobicContact CD1-CD1 3.66Å; I160-L275 HydrophobicContact CD1-CD2 3.86Å; I160-L275 HydrophobicContact CD1-CG 4.44Å; L273-L275 HydrophobicContact CD1-CD2 4.36Å; L273-L275 HydrophobicContact CD2-CD1 4.29Å; L273-L275 HydrophobicContact CD2-CD2 4.27Å; L273-L275 HydrophobicContact CD2-CG 4.18Å; L273-L275 HydrophobicContact CG-CD2 4.35Å; L273-L275 HydrophobicContact CG-CG 4.18Å; L275-L279 HydrophobicContact CB-CD2 4.49Å; L275-L279 HydrophobicContact CD1-CD2 4.48Å; L275-Q280 WeakPolarHBondContact CA-O 3.34Å; L275-K281 HydrophobicContact CD2-CB 4.46Å; L275-K281 HydrophobicContact CD2-CG 3.6Å
276	D	97.9	Very high	97.6	Very high	66 Å²	66	51.1 Å²	51.1	35%	0.353	27%	0.267	S	S	.	.			trans	-78.2	-179.5	173.6	77.3	-0.9	0	0	0	112.2	S47 H278 L279 Q280	S47-D276 VanDerWaalsContact CB-O 3.25Å; S47-D276 WeakPolarHBondContact CB-O 3.22Å; S47-D276 PolarHBondContact OG-O 3.04Å; D276-H278 PolarHBondContact O-N 2.98Å; D276-H278 VanDerWaalsContact OD1-C 3.23Å; D276-H278 VanDerWaalsContact OD1-CA 3.3Å; D276-H278 WeakPolarHBondContact OD1-CA 3.26Å; D276-H278 WeakPolarHBondContact OD1-CB 3.41Å; D276-H278 PolarHBondContact OD1-N 2.84Å; D276-L279 PolarHBondContact O-N 3.36Å; D276-L279 PolarHBondContact OD1-N 3.06Å; D276-Q280 PolarHBondContact N-O 2.94Å; D276-Q280 WeakPolarHBondContact OD1-CB 3.42Å; D276-Q280 PolarHBondContact OD1-N 3.17Å; D276-Q280 WeakPolarHBondContact OD2-CB 3.48Å
277	E	96.5	Very high	97.8	Very high	139 Å²	139	56.2 Å²	56.2	65%	0.65	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	-7.6	177.6	-62.6	161.8	-168.9	0	0	114.4	P48	P48-E277 HydrophobicContact CG-CG 4.31Å
278	H	97.1	Very high	97.7	Very high	141 Å²	141	55.3 Å²	55.3	65%	0.653	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-121.5	15	179.8	-59	-31.7	0	0	0	112.3	D276 Q280	D276-H278 PolarHBondContact O-N 2.98Å; D276-H278 VanDerWaalsContact OD1-C 3.23Å; D276-H278 VanDerWaalsContact OD1-CA 3.3Å; D276-H278 WeakPolarHBondContact OD1-CA 3.26Å; D276-H278 WeakPolarHBondContact OD1-CB 3.41Å; D276-H278 PolarHBondContact OD1-N 2.84Å; H278-Q280 HydrophobicContact CB-CG 4.29Å; H278-Q280 PolarHBondContact O-N 3.02Å; H278-Q280 VanDerWaalsContact O-N 3.13Å
279	L	96.8	Very high	97.4	Very high	29 Å²	29	55.4 Å²	55.4	15%	0.152	28%	0.275	C	S	.	.			trans	55.3	24.1	-176.6	-58.3	176.3	0	0	0	113.8	I156 D157 K159 I160 L275 D276 K281	I156-L279 HydrophobicContact CG2-CD2 4.07Å; D157-L279 HydrophobicContact CB-CD1 4Å; D157-L279 HydrophobicContact CB-CD2 4.17Å; D157-L279 HydrophobicContact CB-CG 4.44Å; D157-L279 VanDerWaalsContact OD2-CD2 3.32Å; D157-L279 WeakPolarHBondContact OD2-CD2 3.19Å; K159-L279 HydrophobicContact CB-CD1 4.03Å; K159-L279 HydrophobicContact CG-CD1 4.45Å; I160-L279 HydrophobicContact CD1-CD2 4.24Å; L275-L279 HydrophobicContact CB-CD2 4.49Å; L275-L279 HydrophobicContact CD1-CD2 4.48Å; D276-L279 PolarHBondContact O-N 3.36Å; D276-L279 PolarHBondContact OD1-N 3.06Å; L279-K281 PolarHBondContact O-NZ 3.2Å
280	Q	97.2	Very high	96.8	Very high	126 Å²	126	57.1 Å²	57.1	59%	0.589	29%	0.287	S	S	*	.			trans	-67.7	137	166.4	-58.1	-59.8	-59.4	0	0	108.3	L275 D276 H278	L275-Q280 WeakPolarHBondContact CA-O 3.34Å; D276-Q280 PolarHBondContact N-O 2.94Å; D276-Q280 WeakPolarHBondContact OD1-CB 3.42Å; D276-Q280 PolarHBondContact OD1-N 3.17Å; D276-Q280 WeakPolarHBondContact OD2-CB 3.48Å; H278-Q280 HydrophobicContact CB-CG 4.29Å; H278-Q280 PolarHBondContact O-N 3.02Å; H278-Q280 VanDerWaalsContact O-N 3.13Å
281	K	97.7	Very high	95.7	Very high	92 Å²	92	65.3 Å²	65.3	40%	0.4	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	123.1	-171.3	-61.9	166.8	-169.4	62.9	0	108.4	M233 W247 L273 E274 L275 L279	M233-K281 HydrophobicContact SD-CD 4.16Å; M233-K281 WeakPolarHBondContact SD-CE 3.41Å; W247-K281 HydrophobicContact CH2-CD 3.99Å; W247-K281 HydrophobicContact CZ2-CD 4.13Å; L273-K281 HydrophobicContact CD1-CB 3.81Å; L273-K281 HydrophobicContact CD1-CG 4.07Å; E274-K281 WeakPolarHBondContact O-CA 3.47Å; L275-K281 HydrophobicContact CD2-CB 4.46Å; L275-K281 HydrophobicContact CD2-CG 3.6Å; L279-K281 PolarHBondContact O-NZ 3.2Å
282	D	97.8	Very high	94.5	Very high	101 Å²	101	74.4 Å²	74.4	54%	0.54	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	151.2	164	-163.9	20.2	0	0	0	110.3	E274	E274-D282 PolarHBondContact N-O 2.86Å; E274-D282 PolarHBondContact O-N 2.85Å
283	F	98.2	Very high	93.4	Very high	41 Å²	41	77.9 Å²	77.9	18%	0.18	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	118.1	-179.3	-68.6	-87.4	0	0	0	109.7	Y245 W247 L254 I272 L273	Y245-F283 HydrophobicContact CD1-CB 4.43Å; Y245-F283 AromaticContact CD1-CD1 3.77Å; Y245-F283 HydrophobicContact CD1-CD1 3.77Å; Y245-F283 HydrophobicContact CD1-CE1 4.21Å; Y245-F283 HydrophobicContact CD1-CG 4.15Å; Y245-F283 HydrophobicContact CD2-CD1 4.07Å; Y245-F283 AromaticContact CD2-CE1 3.68Å; Y245-F283 HydrophobicContact CD2-CE1 3.68Å; Y245-F283 HydrophobicContact CD2-CE2 4.4Å; Y245-F283 AromaticContact CD2-CZ 3.87Å; Y245-F283 HydrophobicContact CD2-CZ 3.87Å; Y245-F283 HydrophobicContact CE1-CB 4.17Å; Y245-F283 HydrophobicContact CE1-CD1 4.14Å; Y245-F283 HydrophobicContact CE1-CG 4.05Å; Y245-F283 HydrophobicContact CE2-CD1 4.42Å; Y245-F283 HydrophobicContact CE2-CD2 4.36Å; Y245-F283 HydrophobicContact CE2-CE1 4.23Å; Y245-F283 HydrophobicContact CE2-CE2 4.18Å; Y245-F283 HydrophobicContact CE2-CG 4.47Å; Y245-F283 HydrophobicContact CE2-CZ 4.1Å; Y245-F283 AromaticContact CG-CD1 3.73Å; Y245-F283 HydrophobicContact CG-CD1 3.73Å; Y245-F283 AromaticContact CG-CE1 3.67Å; Y245-F283 HydrophobicContact CG-CE1 3.67Å; Y245-F283 HydrophobicContact CG-CG 4.4Å; Y245-F283 HydrophobicContact CG-CZ 4.33Å; W247-F283 HydrophobicContact CZ2-CE2 4.38Å; W247-F283 HydrophobicContact CZ2-CZ 4.02Å; L254-F283 HydrophobicContact CD1-CE1 3.91Å; L254-F283 HydrophobicContact CD1-CZ 3.83Å; L254-F283 HydrophobicContact CD2-CE1 3.76Å; L254-F283 HydrophobicContact CD2-CZ 3.74Å; L254-F283 HydrophobicContact CG-CE1 4.41Å; L254-F283 HydrophobicContact CG-CZ 4.45Å; I272-F283 WeakPolarHBondContact O-CA 2.77Å; L273-F283 HydrophobicContact CB-CE1 4.32Å; L273-F283 HydrophobicContact CD1-CD1 4.37Å; L273-F283 HydrophobicContact CD1-CE1 3.93Å; L273-F283 HydrophobicContact CD1-CE2 4.37Å; L273-F283 HydrophobicContact CD1-CZ 3.94Å
284	I	98.2	Very high	91.9	Very high	38 Å²	38	79.7 Å²	79.7	20%	0.195	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	112.5	169.9	-58	-175.9	0	0	0	108.3	V68 A271 I272 E274	V68-I284 HydrophobicContact CB-CG2 3.79Å; V68-I284 HydrophobicContact CG2-CG2 3.79Å; V68-I284 WeakPolarHBondContact O-CD1 3.48Å; A271-I284 VanDerWaalsContact CA-O 3.28Å; A271-I284 WeakPolarHBondContact CA-O 3.37Å; I272-I284 HydrophobicContact CD1-CB 4.08Å; I272-I284 HydrophobicContact CD1-CD1 4.4Å; I272-I284 HydrophobicContact CD1-CG2 4.46Å; I272-I284 HydrophobicContact CG1-CB 3.73Å; I272-I284 HydrophobicContact CG1-CG2 4.45Å; I272-I284 PolarHBondContact N-O 3Å; I272-I284 PolarHBondContact O-N 2.97Å; I272-I284 VanDerWaalsContact O-N 3.08Å; E274-I284 HydrophobicContact CG-CD1 4.17Å; E274-I284 HydrophobicContact CG-CG1 4.39Å; E274-I284 WeakPolarHBondContact OE1-CD1 3.19Å
285	I	98.2	Very high	90.1	Very high	94 Å²	94	78.6 Å²	78.6	48%	0.482	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	135.4	176.4	-56.5	173.7	0	0	0	109.1	Y245 V269 A270 A271	Y245-I285 HydrophobicContact CE1-CD1 4.18Å; V269-I285 HydrophobicContact CB-CG2 3.9Å; V269-I285 HydrophobicContact CG1-CG2 4.49Å; V269-I285 HydrophobicContact CG2-CG2 3.62Å; A270-I285 CarbonylContact O-C 3.57Å; A270-I285 WeakPolarHBondContact O-CA 3.4Å; A271-I285 HydrophobicContact CB-CG1 4.49Å
286	F	98.1	Very high	88	Confident	9 Å²	9	85.6 Å²	85.6	4%	0.039	44%	0.435	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	151.1	178.2	65	-79.6	0	0	0	112.5	E64 L65 V68 P260 A270 I272	E64-F286 HydrophobicContact CB-CD2 4.38Å; E64-F286 HydrophobicContact CG-CD2 3.92Å; L65-F286 HydrophobicContact CB-CE2 4.35Å; L65-F286 HydrophobicContact CB-CZ 3.98Å; L65-F286 HydrophobicContact CD1-CZ 4.29Å; L65-F286 HydrophobicContact CG-CZ 4.31Å; V68-F286 HydrophobicContact CG1-CB 4.36Å; V68-F286 HydrophobicContact CG2-CB 4.31Å; V68-F286 HydrophobicContact CG2-CD1 4.05Å; V68-F286 HydrophobicContact CG2-CG 4.22Å; P260-F286 HydrophobicContact CG-CD2 4.3Å; P260-F286 HydrophobicContact CG-CE2 3.99Å; A270-F286 HydrophobicContact CB-CD1 4.08Å; A270-F286 HydrophobicContact CB-CD2 4.13Å; A270-F286 HydrophobicContact CB-CE1 3.59Å; A270-F286 HydrophobicContact CB-CE2 3.66Å; A270-F286 HydrophobicContact CB-CG 4.33Å; A270-F286 HydrophobicContact CB-CZ 3.36Å; A270-F286 PolarHBondContact N-O 2.63Å; A270-F286 PolarHBondContact O-N 3.42Å; I272-F286 HydrophobicContact CG2-CE1 4.21Å
287	E	96.7	Very high	86	Confident	151 Å²	151	85.1 Å²	85.1	71%	0.706	44%	0.436	S	S	*	.	P	Polyproline II helix	trans	-93.1	170.4	178	-65.9	-171	165.9	0	0	111.7	V269 A289	V269-E287 HydrophobicContact CG1-CG 4.3Å; E287-A289 PolarHBondContact O-N 2.68Å
288	A	94.4	Very high	83.8	Confident	35 Å²	35	82.4 Å²	82.4	29%	0.289	43%	0.432	S	S	.	.	P	Polyproline II helix	trans	-58.2	133.5	174.5	0	0	0	0	0	111.7	P260 N261 R294	P260-A288 HydrophobicContact CB-CB 4.18Å; P260-A288 HydrophobicContact CG-CB 4.26Å; N261-A288 HydrophobicContact CB-CB 3.9Å; A288-R294 VanDerWaalsContact CB-NH2 3.31Å
289	A	90.8	Very high	81.4	Confident	7 Å²	7	85.4 Å²	85.4	6%	0.058	44%	0.443	C	S	.	.	P	Polyproline II helix	trans	-54.3	139.9	174.6	0	0	0	0	0	110.5	D61 E287 Q291 R294	D61-A289 VanDerWaalsContact OD1-CB 3.28Å; D61-A289 WeakPolarHBondContact OD1-CB 3.02Å; D61-A289 PolarHBondContact OD1-N 2.8Å; E287-A289 PolarHBondContact O-N 2.68Å; A289-Q291 PolarHBondContact O-N 2.91Å; A289-R294 PolarHBondContact O-NE 3.25Å
290	P	86	Confident	79.2	Confident	74 Å²	74	92.1 Å²	92.1	48%	0.481	47%	0.471	S	S	.	.	P	Polyproline II helix	trans	-54.7	139.7	-174.4	-24	31.2	0	0	0	112.1	E292 T293 R294	P290-E292 PolarHBondContact O-N 3.46Å; P290-T293 HydrophobicContact CB-CG2 4.31Å; P290-T293 HydrophobicContact CG-CG2 4.41Å; P290-T293 WeakPolarHBondContact O-CB 3.38Å; P290-T293 PolarHBondContact O-N 3.47Å; P290-T293 PolarHBondContact O-OG1 2.88Å; P290-R294 PolarHBondContact O-N 3.09Å
291	Q	74.9	Confident	77	Confident	172 Å²	172	91.9 Å²	91.9	80%	0.804	48%	0.48	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.2	-31.7	179.3	-82.8	-176.2	0	0	0	113.2	A289 T293 R294	A289-Q291 PolarHBondContact O-N 2.91Å; Q291-T293 PolarHBondContact O-N 2.77Å; Q291-R294 WeakPolarHBondContact O-CB 3.27Å; Q291-R294 PolarHBondContact O-N 3.18Å
292	E	72.8	Confident	75.1	Confident	191 Å²	191	92.5 Å²	92.5	89%	0.893	49%	0.492	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-30.1	178	-63.2	165	-174.2	0	0	112.8	P290	P290-E292 PolarHBondContact O-N 3.46Å
293	T	75.3	Confident	73.5	Confident	73 Å²	73	88.9 Å²	88.9	45%	0.448	48%	0.476	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-24.8	176	67.4	0	0	0	0	112.1	Y60 P290 Q291 G295	Y60-T293 WeakPolarHBondContact CD1-O 3.33Å; Y60-T293 WeakPolarHBondContact CE1-O 3.5Å; P290-T293 HydrophobicContact CB-CG2 4.31Å; P290-T293 HydrophobicContact CG-CG2 4.41Å; P290-T293 WeakPolarHBondContact O-CB 3.38Å; P290-T293 PolarHBondContact O-N 3.47Å; P290-T293 PolarHBondContact O-OG1 2.88Å; Q291-T293 PolarHBondContact O-N 2.77Å; T293-G295 PolarHBondContact O-N 2.9Å
294	R	68.6	Low	71.8	Confident	37 Å²	37	93.4 Å²	93.4	14%	0.14	50%	0.502	C	S	.	.	S	Bend	trans	-79.2	109.2	-178.9	-60.9	178.9	179	-158.7	-11.4	108.3	Y60 D61 A288 A289 P290 Q291 I296	Y60-R294 HydrophobicContact CD2-CB 4.2Å; Y60-R294 HydrophobicContact CD2-CG 4.01Å; Y60-R294 HydrophobicContact CE2-CB 4.43Å; Y60-R294 HydrophobicContact CG-CG 4.1Å; D61-R294 IonicContact OD1-CZ 3.46Å; D61-R294 IonicContact OD1-NH2 3.41Å; D61-R294 PolarHBondContact OD1-NH2 3.29Å; D61-R294 IonicContact OD2-CZ 2.97Å; D61-R294 IonicContact OD2-NH2 3.84Å; D61-R294 PolarHBondContact OD2-NH2 2.85Å; A288-R294 VanDerWaalsContact CB-NH2 3.31Å; A289-R294 PolarHBondContact O-NE 3.25Å; P290-R294 PolarHBondContact O-N 3.09Å; Q291-R294 WeakPolarHBondContact O-CB 3.27Å; Q291-R294 PolarHBondContact O-N 3.18Å; R294-I296 PolarHBondContact O-N 2.66Å
295	G	60.2	Low	70.5	Confident	31 Å²	31	93.8 Å²	93.8	32%	0.32	50%	0.501	S	S	.	.			trans	-48.8	128	170.3	0	0	0	0	0	110.3	Y60 Y89 T293 P297	Y60-G295 PolarHBondContact OH-N 2.91Å; Y89-G295 PolarHBondContact OH-O 3.16Å; T293-G295 PolarHBondContact O-N 2.9Å; G295-P297 WeakPolarHBondContact O-CD 3.43Å; G295-P297 VanDerWaalsContact O-N 3.11Å
296	I	54.3	Low	68.5	Low	150 Å²	150	89.6 Å²	89.6	77%	0.769	48%	0.48	S	S	*	.			trans	-58.7	115.7	-176.6	-58.5	169.5	0	0	0	108	R294 S298	R294-I296 PolarHBondContact O-N 2.66Å; I296-S298 PolarHBondContact O-N 3.19Å
297	P	55.7	Low	66.1	Low	56 Å²	56	97.2 Å²	97.2	36%	0.364	52%	0.52	S	S	.	.			trans	-59	127.4	170.2	-16.6	29.4	0	0	0	107.2	F88 G295 K299	F88-P297 HydrophobicContact CD2-CB 4.09Å; F88-P297 HydrophobicContact CD2-CG 3.6Å; F88-P297 HydrophobicContact CE2-CB 4.13Å; F88-P297 HydrophobicContact CE2-CG 3.7Å; F88-P297 HydrophobicContact CG-CB 4.31Å; F88-P297 HydrophobicContact CG-CG 4.24Å; F88-P297 HydrophobicContact CZ-CB 4.38Å; F88-P297 HydrophobicContact CZ-CG 4.41Å; G295-P297 WeakPolarHBondContact O-CD 3.43Å; G295-P297 VanDerWaalsContact O-N 3.11Å; P297-K299 PolarHBondContact O-N 3.06Å
298	S	51.5	Low	64.6	Low	82 Å²	82	94.6 Å²	94.6	57%	0.573	51%	0.511	S	S	*	.			trans	-46.3	114.7	-179.1	54.3	0	0	0	0	109.7	I296 K300	I296-S298 PolarHBondContact O-N 3.19Å; S298-K300 VanDerWaalsContact C-N 3.35Å; S298-K300 WeakPolarHBondContact O-CB 3.49Å; S298-K300 PolarHBondContact O-N 3.2Å
299	K	45.8	Very low	63	Low	205 Å²	205	97.7 Å²	97.7	89%	0.891	52%	0.522	S	S	*	.	S	Bend	trans	-36	92.2	-175.5	-71.7	-178.4	177.7	-179.9	0	111.7	P297	P297-K299 PolarHBondContact O-N 3.06Å
300	K	51.7	Low	61.5	Low	170 Å²	170	102.7 Å²	102.7	74%	0.739	55%	0.548	S	S	*	.			trans	-137.7	150.6	173.5	-81.8	-166.7	177.3	-174.7	0	107.2	S298	S298-K300 VanDerWaalsContact C-N 3.35Å; S298-K300 WeakPolarHBondContact O-CB 3.49Å; S298-K300 PolarHBondContact O-N 3.2Å
301	P	51.1	Low	60	Low	120 Å²	120	104.4 Å²	104.4	78%	0.779	55%	0.552	S	S	*	*	P	Polyproline II helix	trans	-53.9	145.6	-177.5	22	-31.8	0	0	0	110	A303	P301-A303 PolarHBondContact O-N 3.45Å; P301-A303 VanDerWaalsContact O-N 3.09Å
302	V	57.1	Low	59.1	Low	105 Å²	105	100.2 Å²	100.2	64%	0.636	54%	0.537	S	S	*	.	P	Polyproline II helix	trans	-47.3	119.5	170.5	178.3	0	0	0	0	106.9	F306	V302-F306 HydrophobicContact CG1-CB 3.7Å; V302-F306 HydrophobicContact CG1-CD2 3.62Å; V302-F306 HydrophobicContact CG1-CG 3.99Å
303	A	63.2	Low	58.2	Low	26 Å²	26	94.1 Å²	94.1	22%	0.215	51%	0.513	C	S	.	.	P	Polyproline II helix	trans	-59.5	140.4	-179.1	0	0	0	0	0	110.4	P301 Y305 F306	P301-A303 PolarHBondContact O-N 3.45Å; P301-A303 VanDerWaalsContact O-N 3.09Å; A303-Y305 HydrophobicContact CB-CD1 3.71Å; A303-Y305 HydrophobicContact CB-CD2 4.37Å; A303-Y305 HydrophobicContact CB-CE1 3.25Å; A303-Y305 HydrophobicContact CB-CE2 3.96Å; A303-Y305 HydrophobicContact CB-CG 4.24Å; A303-Y305 PolarHBondContact O-N 3.31Å; A303-F306 HydrophobicContact CB-CD2 3.77Å; A303-F306 HydrophobicContact CB-CE2 3.81Å; A303-F306 WeakPolarHBondContact O-CB 3.49Å; A303-F306 VanDerWaalsContact O-CD2 3.26Å; A303-F306 WeakPolarHBondContact O-CD2 3.22Å; A303-F306 PolarHBondContact O-N 2.91Å
304	D	62.5	Low	56.9	Low	135 Å²	135	95.6 Å²	95.6	72%	0.722	52%	0.517	S	S	*	.	G	3₁₀ helix	trans	-58.8	-24.8	-172.9	-67.9	-28.5	0	0	0	112.8	F306 L307	D304-F306 PolarHBondContact O-N 3.06Å; D304-L307 VanDerWaalsContact O-CB 3.31Å; D304-L307 WeakPolarHBondContact O-CB 3.36Å; D304-L307 PolarHBondContact O-N 2.74Å; D304-L307 VanDerWaalsContact O-N 3.13Å
305	Y	70.9	Confident	56	Low	46 Å²	46	100.2 Å²	100.2	18%	0.18	55%	0.547	C	S	.	.	G	3₁₀ helix	trans	-74.1	-3.9	177.2	61.9	-108.7	0	0	0	114.7	R86 Y124 A303	R86-Y305 PolarHBondContact NH1-O 2.68Å; R86-Y305 WeakPolarHBondContact O-CE2 3.45Å; Y124-Y305 WeakPolarHBondContact O-CD2 3.28Å; Y124-Y305 WeakPolarHBondContact O-CE2 2.96Å; A303-Y305 HydrophobicContact CB-CD1 3.71Å; A303-Y305 HydrophobicContact CB-CD2 4.37Å; A303-Y305 HydrophobicContact CB-CE1 3.25Å; A303-Y305 HydrophobicContact CB-CE2 3.96Å; A303-Y305 HydrophobicContact CB-CG 4.24Å; A303-Y305 PolarHBondContact O-N 3.31Å
306	F	57.5	Low	55.7	Low	7 Å²	7	105.9 Å²	105.9	3%	0.031	57%	0.565	C	S	.	*	G	3₁₀ helix	trans	-80.7	-5.3	167.2	-70.2	-69.1	0	0	0	112.9	R86 F88 C263 Y264 R265 V302 A303 D304	R86-F306 WeakPolarHBondContact O-CE1 3.47Å; R86-F306 WeakPolarHBondContact O-CZ 3.47Å; F88-F306 HydrophobicContact CD1-CZ 4.25Å; F88-F306 HydrophobicContact CD2-CZ 4.49Å; F88-F306 AromaticContact CE1-CE2 3.6Å; F88-F306 HydrophobicContact CE1-CE2 3.6Å; F88-F306 AromaticContact CE1-CZ 3.64Å; F88-F306 HydrophobicContact CE1-CZ 3.64Å; F88-F306 HydrophobicContact CE2-CE2 4.38Å; F88-F306 AromaticContact CE2-CZ 3.92Å; F88-F306 HydrophobicContact CE2-CZ 3.92Å; F88-F306 AromaticContact CZ-CE2 3.49Å; F88-F306 HydrophobicContact CZ-CE2 3.49Å; F88-F306 VanDerWaalsContact CZ-CE2 3.49Å; F88-F306 AromaticContact CZ-CZ 3.45Å; F88-F306 HydrophobicContact CZ-CZ 3.45Å; F88-F306 VanDerWaalsContact CZ-CZ 3.45Å; C263-F306 HydrophobicContact CB-CD1 3.88Å; Y264-F306 AromaticContact CD2-CE1 3.81Å; Y264-F306 HydrophobicContact CD2-CE1 3.81Å; Y264-F306 HydrophobicContact CD2-CZ 4.14Å; Y264-F306 AromaticContact CE2-CE1 3.66Å; Y264-F306 HydrophobicContact CE2-CE1 3.66Å; Y264-F306 AromaticContact CE2-CZ 3.8Å; Y264-F306 HydrophobicContact CE2-CZ 3.8Å; R265-F306 PolarHBondContact NH1-O 2.96Å; V302-F306 HydrophobicContact CG1-CB 3.7Å; V302-F306 HydrophobicContact CG1-CD2 3.62Å; V302-F306 HydrophobicContact CG1-CG 3.99Å; A303-F306 HydrophobicContact CB-CD2 3.77Å; A303-F306 HydrophobicContact CB-CE2 3.81Å; A303-F306 WeakPolarHBondContact O-CB 3.49Å; A303-F306 VanDerWaalsContact O-CD2 3.26Å; A303-F306 WeakPolarHBondContact O-CD2 3.22Å; A303-F306 PolarHBondContact O-N 2.91Å; D304-F306 PolarHBondContact O-N 3.06Å
307	L	47.1	Very low	55.8	Low	169 Å²	169	101.9 Å²	101.9	89%	0.885	55%	0.547	S	S	*	.			trans	-89.1	0	-179	-65.5	171.3	0	0	0	112.9	D304	D304-L307 VanDerWaalsContact O-CB 3.31Å; D304-L307 WeakPolarHBondContact O-CB 3.36Å; D304-L307 PolarHBondContact O-N 2.74Å; D304-L307 VanDerWaalsContact O-N 3.13Å

Retrieved 307 of 307 residues in 871.4 ms (Link to these results)

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