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NADPH:quinone oxidoreductase MdaB

NADPH-specific quinone reductase1. Is most active with quinone derivatives and ferricyanide as electron acceptors2. Can use menadione, 1,4-naphthoquinone and 1,4-benzoquinone3. May work in concert with YgiN to form a quinone redox cycle4.

AlphaFold DB , UniProt , Accession P0AEY5, Species ECOLI (Escherichia coli (strain K12)), Gene mdaB, Length 193 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] 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
1M91.5Very high97.3Very high171 Ų17126.1 Ų26.184%0.84214%0.136SC*.  0139.70-56.4-42-171.800108.4L35 G36M1-L35 WeakPolarHBondContact CE-O 3.34Å; M1-G36 WeakPolarHBondContact CB-O 3.32Å; M1-G36 VanDerWaalsContact CG-O 3.25Å; M1-G36 WeakPolarHBondContact CG-O 3.44Å
2S97.5Very high96.6Very high38 Ų3837.7 Ų37.727%0.26619%0.185SC..  trans-113.7148.9-172.9-49.50000110.5H37 D38 D61S2-H37 WeakPolarHBondContact CB-ND1 3.15Å; S2-H37 PolarHBondContact N-ND1 3.44Å; S2-H37 WeakPolarHBondContact O-CB 3.45Å; S2-H37 PolarHBondContact O-ND1 2.87Å; S2-H37 VanDerWaalsContact O-ND1 3.11Å; S2-D38 PolarHBondContact O-N 2.94Å; S2-D61 WeakPolarHBondContact CA-OD2 3.09Å
3N98.9Very high95.5Very high38 Ų3843.2 Ų43.220%0.20321%0.208CC..EExtended strand (participates in β ladder)trans-77.7123.7165.9-68.8-26.4000109.4W59 A60 D61 V62N3-W59 HydrophobicContact CB-CD2 3.92Å; N3-W59 HydrophobicContact CB-CE3 4.06Å; N3-W59 HydrophobicContact CB-CH2 3.67Å; N3-W59 HydrophobicContact CB-CZ2 3.51Å; N3-W59 HydrophobicContact CB-CZ3 3.94Å; N3-W59 VanDerWaalsContact CB-O 3.32Å; N3-W59 WeakPolarHBondContact CB-O 3.37Å; N3-W59 VanDerWaalsContact CG-CZ2 3.44Å; N3-W59 PolarHBondContact ND2-NE1 2.91Å; N3-W59 PolarHBondContact ND2-O 3.44Å; N3-W59 WeakPolarHBondContact OD1-CZ2 3.32Å; N3-A60 CarbonylContact O-C 3.58Å; N3-D61 PolarHBondContact N-OD2 2.91Å; N3-D61 PolarHBondContact O-N 3.41Å; N3-V62 PolarHBondContact O-N 3.27Å; N3-V62 VanDerWaalsContact O-N 3.12Å
4I98.9Very high95Very high0 Ų046 Ų460%024%0.241CC..EExtended strand (participates in β ladder)trans-120.2123.7-177-54.2177.8000110.2I6 L32 H37 D38 V39 R40 V62 I64 F192I4-I6 HydrophobicContact CG2-CG1 4.39Å; I4-L32 HydrophobicContact CB-CD1 4.38Å; I4-L32 HydrophobicContact CD1-CB 4.36Å; I4-L32 HydrophobicContact CD1-CD1 3.78Å; I4-L32 HydrophobicContact CD1-CD2 3.59Å; I4-L32 HydrophobicContact CD1-CG 4.11Å; I4-L32 HydrophobicContact CG2-CD1 3.91Å; I4-H37 HydrophobicContact CD1-CB 3.91Å; I4-H37 HydrophobicContact CG1-CB 4.39Å; I4-D38 PolarHBondContact N-O 3.19Å; I4-V39 CarbonylContact O-C 3.6Å; I4-V39 VanDerWaalsContact O-CA 3.31Å; I4-V39 WeakPolarHBondContact O-CA 3.45Å; I4-R40 PolarHBondContact O-N 2.68Å; I4-V62 WeakPolarHBondContact CA-O 3.46Å; I4-V62 HydrophobicContact CG1-CB 4.31Å; I4-I64 HydrophobicContact CG2-CD1 3.76Å; I4-I64 HydrophobicContact CG2-CG1 3.95Å; I4-F192 HydrophobicContact CD1-CD1 3.76Å; I4-F192 HydrophobicContact CD1-CE1 3.65Å; I4-F192 HydrophobicContact CD1-CG 4.39Å; I4-F192 HydrophobicContact CD1-CZ 4.21Å; I4-F192 HydrophobicContact CG1-CE1 4.46Å
5L98.9Very high93.9Very high0 Ų054.9 Ų54.90%028%0.281CS..EExtended strand (participates in β ladder)trans-100120.8171.8174.464.8000109.4I7 R40 V42 N56 F57 A60 V62 V63 I64L5-I7 HydrophobicContact CD1-CD1 3.98Å; L5-I7 HydrophobicContact CD2-CD1 3.75Å; L5-I7 HydrophobicContact CD2-CG1 4.43Å; L5-I7 HydrophobicContact CG-CD1 3.7Å; L5-I7 HydrophobicContact CG-CG1 4.32Å; L5-R40 CarbonylContact C-O 3.57Å; L5-R40 WeakPolarHBondContact CA-O 3.13Å; L5-R40 HydrophobicContact CD1-CB 4.01Å; L5-V42 HydrophobicContact CD1-CG2 3.94Å; L5-N56 HydrophobicContact CD1-CB 4.05Å; L5-N56 HydrophobicContact CD2-CB 3.72Å; L5-N56 HydrophobicContact CG-CB 4.5Å; L5-F57 HydrophobicContact CD2-CD2 3.85Å; L5-F57 HydrophobicContact CD2-CE2 3.85Å; L5-F57 HydrophobicContact CD2-CZ 4.49Å; L5-A60 HydrophobicContact CB-CB 3.65Å; L5-V62 PolarHBondContact N-O 2.77Å; L5-V63 HydrophobicContact CB-CG2 4.36Å; L5-V63 HydrophobicContact CD2-CG1 4.5Å; L5-V63 HydrophobicContact CD2-CG2 4.31Å; L5-V63 CarbonylContact O-C 3.48Å; L5-V63 VanDerWaalsContact O-CA 3.3Å; L5-V63 WeakPolarHBondContact O-CA 3.39Å; L5-I64 PolarHBondContact O-N 2.97Å
6I98.9Very high93.1Very high0 Ų053.7 Ų53.70%028%0.278CS..EExtended strand (participates in β ladder)trans-100.3116.7173.2-51.8176.1000108.5I4 T25 A28 L32 V39 R40 I41 V42 I64 Q66I4-I6 HydrophobicContact CG2-CG1 4.39Å; I6-T25 HydrophobicContact CG2-CG2 3.89Å; I6-A28 HydrophobicContact CD1-CB 3.7Å; I6-L32 HydrophobicContact CD1-CD1 4.27Å; I6-V39 HydrophobicContact CD1-CG1 3.67Å; I6-V39 HydrophobicContact CG1-CG1 4Å; I6-R40 PolarHBondContact N-O 2.59Å; I6-I41 HydrophobicContact CB-CG1 4.37Å; I6-I41 HydrophobicContact CD1-CG1 4.44Å; I6-I41 WeakPolarHBondContact O-CA 3.28Å; I6-V42 PolarHBondContact O-N 3.35Å; I6-I64 CarbonylContact C-O 3.59Å; I6-I64 WeakPolarHBondContact CA-O 3.47Å; I6-I64 HydrophobicContact CG1-CB 4.36Å; I6-Q66 HydrophobicContact CG2-CB 4.38Å
7I98.9Very high92.6Very high0 Ų056.8 Ų56.80%030%0.296CS..EExtended strand (participates in β ladder)trans-94.1106.9170.5-52.1-58.5000108.7L5 G9 V42 A44 V63 I64 W65 Q66 Y81L5-I7 HydrophobicContact CD1-CD1 3.98Å; L5-I7 HydrophobicContact CD2-CD1 3.75Å; L5-I7 HydrophobicContact CD2-CG1 4.43Å; L5-I7 HydrophobicContact CG-CD1 3.7Å; L5-I7 HydrophobicContact CG-CG1 4.32Å; I7-G9 PolarHBondContact O-N 3.36Å; I7-V42 CarbonylContact C-O 3.59Å; I7-V42 WeakPolarHBondContact CA-O 3.38Å; I7-V42 HydrophobicContact CD1-CB 3.96Å; I7-A44 HydrophobicContact CG2-CB 4.07Å; I7-V63 HydrophobicContact CG1-CG1 4.04Å; I7-I64 PolarHBondContact N-O 3.37Å; I7-W65 HydrophobicContact CB-CD2 4.35Å; I7-W65 HydrophobicContact CB-CE3 3.64Å; I7-W65 HydrophobicContact CB-CZ3 3.76Å; I7-W65 HydrophobicContact CG1-CE3 4.04Å; I7-W65 HydrophobicContact CG1-CH2 4.14Å; I7-W65 HydrophobicContact CG1-CZ3 3.86Å; I7-W65 HydrophobicContact CG2-CE3 3.73Å; I7-W65 HydrophobicContact CG2-CH2 4.47Å; I7-W65 HydrophobicContact CG2-CZ3 3.51Å; I7-Q66 PolarHBondContact O-N 3.07Å; I7-Y81 HydrophobicContact CD1-CE1 4.12Å; I7-Y81 WeakPolarHBondContact CD1-OH 3.26Å; I7-Y81 HydrophobicContact CG1-CE1 4.4Å; I7-Y81 HydrophobicContact CG2-CE1 4.43Å
8N98.7Very high92.4Very high9 Ų954.2 Ų54.25%0.04829%0.285CS..EExtended strand (participates in β ladder)trans-84.7103.6176.1-179.2-11.1000110.1A10 D22 T25 V42 R43 A44N8-A10 VanDerWaalsContact C-N 3.34Å; N8-A10 WeakPolarHBondContact OD1-CB 3.46Å; N8-A10 PolarHBondContact OD1-N 3.14Å; N8-D22 PolarHBondContact ND2-OD1 3.03Å; N8-T25 HydrophobicContact CB-CG2 4.15Å; N8-T25 PolarHBondContact ND2-OG1 3.07Å; N8-V42 PolarHBondContact N-O 3.43Å; N8-R43 VanDerWaalsContact CG-NH2 3.28Å; N8-R43 PolarHBondContact ND2-NH2 3.21Å; N8-R43 VanDerWaalsContact ND2-NH2 3.18Å; N8-R43 WeakPolarHBondContact O-CA 3.37Å; N8-R43 PolarHBondContact OD1-NH2 2.76Å; N8-A44 PolarHBondContact O-N 3.16Å
9G98.2Very high92.5Very high0 Ų058.6 Ų58.60%030%0.304CS..  trans-85.17.8177.800000115.2I7 Q66 V78I7-G9 PolarHBondContact O-N 3.36Å; G9-Q66 WeakPolarHBondContact CA-O 3.45Å; G9-Q66 PolarHBondContact N-O 3.03Å; G9-V78 VanDerWaalsContact CA-CG2 3.44Å
10A96.8Very high92.8Very high1 Ų157.3 Ų57.31%0.00830%0.297CS..  trans-65.9144.8176.300000112.4N8 G18 N21 R43N8-A10 VanDerWaalsContact C-N 3.34Å; N8-A10 WeakPolarHBondContact OD1-CB 3.46Å; N8-A10 PolarHBondContact OD1-N 3.14Å; A10-G18 VanDerWaalsContact CB-O 3.28Å; A10-G18 WeakPolarHBondContact CB-O 3.47Å; A10-N21 HydrophobicContact CB-CB 3.39Å; A10-R43 PolarHBondContact O-NE 3.09Å; A10-R43 VanDerWaalsContact O-NE 3.08Å; A10-R43 PolarHBondContact O-NH2 3.48Å
11K92.6Very high93Very high30 Ų3054.8 Ų54.813%0.1328%0.284CS..  trans-146.7137.8-179.3177.1169.9-166.870.80108.6F13 D45 W70 W76 T77K11-F13 HydrophobicContact CG-CB 4.29Å; K11-F13 PolarHBondContact O-N 3.3Å; K11-D45 WeakPolarHBondContact CG-OD2 3.35Å; K11-D45 IonicContact NZ-OD1 3.66Å; K11-D45 PolarHBondContact NZ-OD1 3.08Å; K11-D45 IonicContact NZ-OD2 3.14Å; K11-D45 PolarHBondContact NZ-OD2 2.88Å; K11-W70 HydrophobicContact CB-CH2 3.81Å; K11-W70 HydrophobicContact CB-CZ2 4.32Å; K11-W70 HydrophobicContact CD-CH2 3.76Å; K11-W70 HydrophobicContact CD-CZ3 4.06Å; K11-W70 HydrophobicContact CG-CH2 3.81Å; K11-W76 HydrophobicContact CD-CZ2 4.38Å; K11-T77 HydrophobicContact CD-CG2 3.64Å
12K89.4Confident93.3Very high165 Ų16548.7 Ų48.772%0.71726%0.255SS*.  trans-78.3115.3166.7-173.3172.9-179.3178.30109.3S16K12-S16 CarbonylContact C-O 3.46Å; K12-S16 VanDerWaalsContact CA-O 3.32Å; K12-S16 WeakPolarHBondContact CA-O 3.49Å
13F82.3Confident93.4Very high110 Ų11048.7 Ų48.748%0.48225%0.253SS..BIsolated β-bridgetrans-161.1128.4-179.8-179.6-112.8000111.1K11 H15 S16 W70K11-F13 HydrophobicContact CG-CB 4.29Å; K11-F13 PolarHBondContact O-N 3.3Å; F13-H15 PolarHBondContact O-N 2.67Å; F13-H15 VanDerWaalsContact O-N 3.16Å; F13-S16 PolarHBondContact N-O 2.63Å; F13-S16 WeakPolarHBondContact O-CB 3.29Å; F13-S16 PolarHBondContact O-N 3.29Å; F13-W70 HydrophobicContact CB-CH2 3.12Å; F13-W70 HydrophobicContact CB-CZ2 3.61Å; F13-W70 HydrophobicContact CB-CZ3 3.93Å; F13-W70 HydrophobicContact CD1-CE3 4.05Å; F13-W70 AromaticContact CD1-CH2 3.47Å; F13-W70 HydrophobicContact CD1-CH2 3.47Å; F13-W70 VanDerWaalsContact CD1-CH2 3.47Å; F13-W70 AromaticContact CD1-CZ2 3.95Å; F13-W70 HydrophobicContact CD1-CZ2 3.95Å; F13-W70 AromaticContact CD1-CZ3 3.46Å; F13-W70 HydrophobicContact CD1-CZ3 3.46Å; F13-W70 VanDerWaalsContact CD1-CZ3 3.46Å; F13-W70 HydrophobicContact CE1-CZ3 4.19Å; F13-W70 AromaticContact CG-CH2 3.57Å; F13-W70 HydrophobicContact CG-CH2 3.57Å; F13-W70 HydrophobicContact CG-CZ2 4.24Å; F13-W70 AromaticContact CG-CZ3 3.87Å; F13-W70 HydrophobicContact CG-CZ3 3.87Å
14A88.2Confident93.4Very high82 Ų8246.9 Ų46.968%0.67824%0.244SC*.THydrogen-bonded Turntrans47.6-119.1-175.300000111.5S16A14-S16 VanDerWaalsContact C-N 3.34Å
15H79.6Confident93.4Very high180 Ų18047 Ų4783%0.83325%0.245SC*.THydrogen-bonded Turntrans-85.1-2.6-179.7-54.4-63.4000114.1F13F13-H15 PolarHBondContact O-N 2.67Å; F13-H15 VanDerWaalsContact O-N 3.16Å
16S80.1Confident93.3Very high35 Ų3553.5 Ų53.525%0.24528%0.275CS..BIsolated β-bridgetrans-92.8114.4176.9-68.70000110.1K12 F13 A14 W70K12-S16 CarbonylContact C-O 3.46Å; K12-S16 VanDerWaalsContact CA-O 3.32Å; K12-S16 WeakPolarHBondContact CA-O 3.49Å; F13-S16 PolarHBondContact N-O 2.63Å; F13-S16 WeakPolarHBondContact O-CB 3.29Å; F13-S16 PolarHBondContact O-N 3.29Å; A14-S16 VanDerWaalsContact C-N 3.34Å; S16-W70 PolarHBondContact OG-NE1 2.93Å; S16-W70 VanDerWaalsContact OG-NE1 3.13Å
17N85.3Confident93.3Very high107 Ų10753.9 Ų53.957%0.57228%0.277SS*.  trans-87.5-9.8176-74.8-32.7000113.8Q19N17-Q19 PolarHBondContact O-N 3.45Å; N17-Q19 VanDerWaalsContact O-N 3.16Å
18G88.5Confident93.3Very high10 Ų1053.9 Ų53.910%0.10328%0.277CS..SBendtrans79.8-21.3-178.600000115.4A10 L20 N21 D22A10-G18 VanDerWaalsContact CB-O 3.28Å; A10-G18 WeakPolarHBondContact CB-O 3.47Å; G18-L20 PolarHBondContact O-N 3.09Å; G18-L20 VanDerWaalsContact O-N 3.15Å; G18-N21 PolarHBondContact O-N 3.14Å; G18-D22 PolarHBondContact O-N 2.62Å
19Q95Very high93.4Very high138 Ų13855.2 Ų55.265%0.64528%0.284SS*.Hα-helixtrans-50.2-44.3-171.2-171.5177.27.300115.4N17 N21 D22 T23N17-Q19 PolarHBondContact O-N 3.45Å; N17-Q19 VanDerWaalsContact O-N 3.16Å; Q19-N21 VanDerWaalsContact C-N 3.28Å; Q19-N21 PolarHBondContact O-N 2.84Å; Q19-D22 WeakPolarHBondContact O-CB 3.3Å; Q19-D22 PolarHBondContact O-N 2.77Å; Q19-D22 VanDerWaalsContact O-N 3.14Å; Q19-T23 PolarHBondContact O-N 3.35Å; Q19-T23 PolarHBondContact O-OG1 3.39Å; Q19-T23 VanDerWaalsContact O-OG1 3.13Å
20L97.1Very high93.4Very high32 Ų3256.4 Ų56.417%0.16830%0.297CS..Hα-helixtrans-61.8-36.9-179.9179.560.1000112.5G18 T23 L24 T124 V171 V177 Y180G18-L20 PolarHBondContact O-N 3.09Å; G18-L20 VanDerWaalsContact O-N 3.15Å; L20-T23 PolarHBondContact O-N 2.82Å; L20-L24 HydrophobicContact CD1-CD1 4.28Å; L20-L24 HydrophobicContact CD1-CG 4.17Å; L20-L24 HydrophobicContact CG-CD1 4.16Å; L20-L24 HydrophobicContact CG-CG 4.45Å; L20-L24 WeakPolarHBondContact O-CB 3.48Å; L20-L24 VanDerWaalsContact O-CG 3.28Å; L20-L24 WeakPolarHBondContact O-CG 3.1Å; L20-L24 PolarHBondContact O-N 3.06Å; L20-T124 HydrophobicContact CD2-CG2 3.75Å; L20-T124 HydrophobicContact CG-CG2 3.93Å; L20-V171 HydrophobicContact CD2-CB 3.69Å; L20-V171 HydrophobicContact CD2-CG1 3.63Å; L20-V171 HydrophobicContact CD2-CG2 4.29Å; L20-V177 HydrophobicContact CD1-CG2 4.45Å; L20-Y180 HydrophobicContact CD1-CD2 3.94Å; L20-Y180 HydrophobicContact CD2-CD2 4.19Å; L20-Y180 HydrophobicContact CD2-CE2 4.32Å
21N98.3Very high93.5Very high5 Ų556.9 Ų56.93%0.02730%0.3CS..Hα-helixtrans-73.5-31.6178-76.8-94.3000111.3A10 G18 Q19 T25 Q66 M67 T124A10-N21 HydrophobicContact CB-CB 3.39Å; G18-N21 PolarHBondContact O-N 3.14Å; Q19-N21 VanDerWaalsContact C-N 3.28Å; Q19-N21 PolarHBondContact O-N 2.84Å; N21-T25 WeakPolarHBondContact O-CB 3.18Å; N21-T25 PolarHBondContact O-N 3.27Å; N21-T25 PolarHBondContact O-OG1 3.34Å; N21-Q66 HydrophobicContact CB-CG 4.09Å; N21-Q66 WeakPolarHBondContact O-CG 3.47Å; N21-Q66 PolarHBondContact OD1-NE2 2.91Å; N21-M67 WeakPolarHBondContact OD1-CA 3.4Å; N21-M67 PolarHBondContact OD1-N 2.92Å; N21-M67 PolarHBondContact OD1-O 3.1Å; N21-T124 PolarHBondContact ND2-OG1 2.95Å
22D98Very high93.8Very high43 Ų4355.5 Ų55.523%0.2329%0.294CS..Hα-helixtrans-62.6-50.3169.4-68.8-34.4000110.7N8 G18 Q19 L24 T25 E26 R43N8-D22 PolarHBondContact ND2-OD1 3.03Å; G18-D22 PolarHBondContact O-N 2.62Å; Q19-D22 WeakPolarHBondContact O-CB 3.3Å; Q19-D22 PolarHBondContact O-N 2.77Å; Q19-D22 VanDerWaalsContact O-N 3.14Å; D22-L24 VanDerWaalsContact C-N 3.33Å; D22-L24 PolarHBondContact O-N 2.8Å; D22-T25 WeakPolarHBondContact O-CA 3.31Å; D22-T25 WeakPolarHBondContact O-CB 3.31Å; D22-T25 PolarHBondContact O-N 3.29Å; D22-T25 VanDerWaalsContact O-N 3.07Å; D22-E26 WeakPolarHBondContact O-CG 3.21Å; D22-E26 PolarHBondContact O-N 2.79Å; D22-R43 IonicContact OD1-CZ 2.59Å; D22-R43 IonicContact OD1-NH1 3.82Å; D22-R43 PolarHBondContact OD1-NH1 3.36Å; D22-R43 IonicContact OD1-NH2 2.74Å; D22-R43 PolarHBondContact OD1-NH2 3.04Å; D22-R43 IonicContact OD2-NH1 2.68Å; D22-R43 IonicContact OD2-NH2 3.08Å
23T98.3Very high94.2Very high37 Ų3753.3 Ų53.323%0.22728%0.281CS..Hα-helixtrans-57.5-44.3176.9-58.90000112Q19 L20 T25 E26 V27 V177 T181Q19-T23 PolarHBondContact O-N 3.35Å; Q19-T23 PolarHBondContact O-OG1 3.39Å; Q19-T23 VanDerWaalsContact O-OG1 3.13Å; L20-T23 PolarHBondContact O-N 2.82Å; T23-T25 VanDerWaalsContact C-N 3.34Å; T23-E26 PolarHBondContact O-N 3.4Å; T23-V27 VanDerWaalsContact O-CG2 3.31Å; T23-V27 WeakPolarHBondContact O-CG2 3.34Å; T23-V27 PolarHBondContact O-N 3.19Å; T23-V177 HydrophobicContact CG2-CG1 4.22Å; T23-T181 HydrophobicContact CG2-CG2 4.08Å
24L98.8Very high95Very high0 Ų054.7 Ų54.70%029%0.293CS..Hα-helixtrans-69.7-32.1177.8-66.8175.9000112.2L20 D22 V27 A28 Q66 T124 F166 Y184L20-L24 HydrophobicContact CD1-CD1 4.28Å; L20-L24 HydrophobicContact CD1-CG 4.17Å; L20-L24 HydrophobicContact CG-CD1 4.16Å; L20-L24 HydrophobicContact CG-CG 4.45Å; L20-L24 WeakPolarHBondContact O-CB 3.48Å; L20-L24 VanDerWaalsContact O-CG 3.28Å; L20-L24 WeakPolarHBondContact O-CG 3.1Å; L20-L24 PolarHBondContact O-N 3.06Å; D22-L24 VanDerWaalsContact C-N 3.33Å; D22-L24 PolarHBondContact O-N 2.8Å; L24-V27 PolarHBondContact O-N 3.24Å; L24-A28 WeakPolarHBondContact O-CB 3.48Å; L24-A28 PolarHBondContact O-N 2.74Å; L24-Q66 HydrophobicContact CB-CG 4.45Å; L24-T124 HydrophobicContact CD1-CG2 3.65Å; L24-F166 HydrophobicContact CD1-CE1 4.3Å; L24-Y184 HydrophobicContact CB-CD1 4.12Å; L24-Y184 HydrophobicContact CB-CE1 4.13Å; L24-Y184 HydrophobicContact CD2-CD1 3.84Å; L24-Y184 HydrophobicContact CD2-CG 4.34Å; L24-Y184 VanDerWaalsContact O-CE1 3.32Å; L24-Y184 WeakPolarHBondContact O-CE1 3.22Å
25T98.9Very high95.5Very high4 Ų453 Ų533%0.02527%0.273CS..Hα-helixtrans-62.1-44.9171.2-570000110.7I6 N8 N21 D22 T23 A28 D29 I41 Q66I6-T25 HydrophobicContact CG2-CG2 3.89Å; N8-T25 HydrophobicContact CB-CG2 4.15Å; N8-T25 PolarHBondContact ND2-OG1 3.07Å; N21-T25 WeakPolarHBondContact O-CB 3.18Å; N21-T25 PolarHBondContact O-N 3.27Å; N21-T25 PolarHBondContact O-OG1 3.34Å; D22-T25 WeakPolarHBondContact O-CA 3.31Å; D22-T25 WeakPolarHBondContact O-CB 3.31Å; D22-T25 PolarHBondContact O-N 3.29Å; D22-T25 VanDerWaalsContact O-N 3.07Å; T23-T25 VanDerWaalsContact C-N 3.34Å; T25-A28 PolarHBondContact O-N 2.91Å; T25-D29 PolarHBondContact O-N 2.79Å; T25-I41 HydrophobicContact CG2-CD1 4.11Å; T25-I41 HydrophobicContact CG2-CG1 4.48Å; T25-I41 HydrophobicContact CG2-CG2 3.61Å; T25-Q66 WeakPolarHBondContact OG1-CG 3.42Å
26E98.7Very high96.4Very high135 Ų13546.3 Ų46.363%0.63125%0.252SS*.Hα-helixtrans-64.3-39.7177-69.4169.6-178.900112.1D22 T23 D29 G30D22-E26 WeakPolarHBondContact O-CG 3.21Å; D22-E26 PolarHBondContact O-N 2.79Å; T23-E26 PolarHBondContact O-N 3.4Å; E26-D29 PolarHBondContact O-N 3.07Å; E26-G30 PolarHBondContact O-N 2.91Å
27V98.8Very high97.3Very high8 Ų845.2 Ų45.25%0.04824%0.243CC..Hα-helixtrans-60.4-46.5173.5168.30000110.8T23 L24 T31 T181 Y184 R185T23-V27 VanDerWaalsContact O-CG2 3.31Å; T23-V27 WeakPolarHBondContact O-CG2 3.34Å; T23-V27 PolarHBondContact O-N 3.19Å; L24-V27 PolarHBondContact O-N 3.24Å; V27-T31 VanDerWaalsContact O-CB 3.3Å; V27-T31 WeakPolarHBondContact O-CB 3.44Å; V27-T31 PolarHBondContact O-N 3.5Å; V27-T31 PolarHBondContact O-OG1 2.69Å; V27-T181 HydrophobicContact CG2-CG2 3.66Å; V27-Y184 HydrophobicContact CB-CD1 4.37Å; V27-Y184 HydrophobicContact CG1-CD1 3.96Å; V27-R185 HydrophobicContact CG1-CG 3.67Å
28A98.9Very high97.9Very high0 Ų044.7 Ų44.70%024%0.24CC..Hα-helixtrans-63.6-46.3177.400000112.3I6 L24 T25 G30 T31 L32 Y184 L188I6-A28 HydrophobicContact CD1-CB 3.7Å; L24-A28 WeakPolarHBondContact O-CB 3.48Å; L24-A28 PolarHBondContact O-N 2.74Å; T25-A28 PolarHBondContact O-N 2.91Å; A28-G30 PolarHBondContact O-N 3.08Å; A28-T31 PolarHBondContact O-N 3.28Å; A28-L32 HydrophobicContact CB-CD1 4.37Å; A28-L32 WeakPolarHBondContact O-CB 3.49Å; A28-L32 WeakPolarHBondContact O-CD1 3.38Å; A28-L32 WeakPolarHBondContact O-CG 3.47Å; A28-L32 PolarHBondContact O-N 3.04Å; A28-Y184 HydrophobicContact CB-CE1 3.76Å; A28-L188 HydrophobicContact CB-CD1 3.96Å
29D98.9Very high98.4Very high37 Ų3744.7 Ų44.720%0.19824%0.239CC..Hα-helixtrans-58.4-50.2178.2-176.259.4000111.8T25 E26 R33 V39 I41T25-D29 PolarHBondContact O-N 2.79Å; E26-D29 PolarHBondContact O-N 3.07Å; D29-R33 WeakPolarHBondContact O-CB 3.08Å; D29-R33 VanDerWaalsContact O-CG 3.23Å; D29-R33 WeakPolarHBondContact O-CG 3.46Å; D29-R33 PolarHBondContact O-N 3.08Å; D29-R33 IonicContact OD1-CZ 2.94Å; D29-R33 VanDerWaalsContact OD1-CZ 3.3Å; D29-R33 IonicContact OD1-NE 4Å; D29-R33 PolarHBondContact OD1-NE 3.07Å; D29-R33 IonicContact OD1-NH2 2.85Å; D29-R33 PolarHBondContact OD1-NH2 3.34Å; D29-R33 IonicContact OD2-NE 3.82Å; D29-R33 PolarHBondContact OD2-NE 2.95Å; D29-V39 WeakPolarHBondContact OD1-CB 3.45Å; D29-V39 VanDerWaalsContact OD1-CG1 3.3Å; D29-V39 WeakPolarHBondContact OD1-CG1 3.39Å; D29-I41 HydrophobicContact CB-CD1 3.78Å
30G98.7Very high98.6Very high26 Ų2643.1 Ų43.127%0.26823%0.227SC..Hα-helixtrans-61.1-52.7178.300000112.2E26 A28 L32 R33 D34E26-G30 PolarHBondContact O-N 2.91Å; A28-G30 PolarHBondContact O-N 3.08Å; G30-L32 PolarHBondContact O-N 3.46Å; G30-R33 PolarHBondContact O-N 2.85Å; G30-D34 WeakPolarHBondContact O-CB 3.38Å; G30-D34 PolarHBondContact O-N 3.29Å
31T98.8Very high98.7Very high11 Ų1145.2 Ų45.27%0.06724%0.237CC..Hα-helixtrans-64.8-40.4-176.7-69.60000112.8V27 A28 D34 L35 R185 L188 V189V27-T31 VanDerWaalsContact O-CB 3.3Å; V27-T31 WeakPolarHBondContact O-CB 3.44Å; V27-T31 PolarHBondContact O-N 3.5Å; V27-T31 PolarHBondContact O-OG1 2.69Å; A28-T31 PolarHBondContact O-N 3.28Å; T31-D34 PolarHBondContact O-N 2.88Å; T31-L35 HydrophobicContact CG2-CD1 4.3Å; T31-L35 VanDerWaalsContact O-CG 3.31Å; T31-L35 WeakPolarHBondContact O-CG 3.5Å; T31-L35 PolarHBondContact O-N 3.43Å; T31-L35 VanDerWaalsContact O-N 3.09Å; T31-R185 WeakPolarHBondContact OG1-CG 3.48Å; T31-R185 PolarHBondContact OG1-NH1 2.71Å; T31-L188 HydrophobicContact CG2-CB 4.04Å; T31-L188 HydrophobicContact CG2-CD1 4.25Å; T31-V189 HydrophobicContact CG2-CG2 4.14Å
32L98.9Very high98.7Very high0 Ų045.7 Ų45.70%024%0.24CC..Hα-helixtrans-70-39179.2-67.6170.5000112I4 I6 A28 G30 L35 G36 H37 V39 I64 L188 F192I4-L32 HydrophobicContact CB-CD1 4.38Å; I4-L32 HydrophobicContact CD1-CB 4.36Å; I4-L32 HydrophobicContact CD1-CD1 3.78Å; I4-L32 HydrophobicContact CD1-CD2 3.59Å; I4-L32 HydrophobicContact CD1-CG 4.11Å; I4-L32 HydrophobicContact CG2-CD1 3.91Å; I6-L32 HydrophobicContact CD1-CD1 4.27Å; A28-L32 HydrophobicContact CB-CD1 4.37Å; A28-L32 WeakPolarHBondContact O-CB 3.49Å; A28-L32 WeakPolarHBondContact O-CD1 3.38Å; A28-L32 WeakPolarHBondContact O-CG 3.47Å; A28-L32 PolarHBondContact O-N 3.04Å; G30-L32 PolarHBondContact O-N 3.46Å; L32-L35 PolarHBondContact O-N 3.07Å; L32-G36 PolarHBondContact O-N 3.14Å; L32-H37 HydrophobicContact CB-CB 4.29Å; L32-H37 WeakPolarHBondContact O-CB 3.35Å; L32-H37 PolarHBondContact O-CD2 2.89Å; L32-H37 PolarHBondContact O-N 2.99Å; L32-V39 HydrophobicContact CB-CG2 3.74Å; L32-V39 HydrophobicContact CD1-CG2 4.41Å; L32-I64 HydrophobicContact CD1-CD1 3.74Å; L32-L188 HydrophobicContact CD2-CD2 4.27Å; L32-F192 HydrophobicContact CD2-CB 3.92Å; L32-F192 HydrophobicContact CD2-CD1 4.29Å; L32-F192 HydrophobicContact CD2-CD2 3.53Å; L32-F192 HydrophobicContact CD2-CE2 4.07Å; L32-F192 HydrophobicContact CD2-CG 3.66Å
33R98.7Very high98.7Very high119 Ų11947.4 Ų47.445%0.44924%0.244SC..Hα-helixtrans-65.8-39.3173.9-72.2-179.5-168.6-75.5-7.2112.1D29 G30 L35 G36 V39D29-R33 WeakPolarHBondContact O-CB 3.08Å; D29-R33 VanDerWaalsContact O-CG 3.23Å; D29-R33 WeakPolarHBondContact O-CG 3.46Å; D29-R33 PolarHBondContact O-N 3.08Å; D29-R33 IonicContact OD1-CZ 2.94Å; D29-R33 VanDerWaalsContact OD1-CZ 3.3Å; D29-R33 IonicContact OD1-NE 4Å; D29-R33 PolarHBondContact OD1-NE 3.07Å; D29-R33 IonicContact OD1-NH2 2.85Å; D29-R33 PolarHBondContact OD1-NH2 3.34Å; D29-R33 IonicContact OD2-NE 3.82Å; D29-R33 PolarHBondContact OD2-NE 2.95Å; G30-R33 PolarHBondContact O-N 2.85Å; R33-L35 PolarHBondContact O-N 3.25Å; R33-G36 WeakPolarHBondContact O-CA 3.28Å; R33-G36 PolarHBondContact O-N 3.43Å; R33-V39 HydrophobicContact CG-CB 4.34Å; R33-V39 HydrophobicContact CG-CG2 3.96Å; R33-V39 PolarHBondContact NH2-O 3.18Å
34D98.5Very high98.7Very high140 Ų14045.8 Ų45.875%0.74923%0.234SC*.Hα-helixtrans-62.4-32.9175.3-72.6-17.3000111.9G30 T31 G36G30-D34 WeakPolarHBondContact O-CB 3.38Å; G30-D34 PolarHBondContact O-N 3.29Å; T31-D34 PolarHBondContact O-N 2.88Å; D34-G36 PolarHBondContact O-N 2.8Å
35L98.5Very high98.5Very high46 Ų4648.9 Ų48.924%0.24125%0.251CS..THydrogen-bonded Turntrans-76.6-3.9171.8-68.4173.7000113.5M1 T31 L32 R33 V189 F192M1-L35 WeakPolarHBondContact CE-O 3.34Å; T31-L35 HydrophobicContact CG2-CD1 4.3Å; T31-L35 VanDerWaalsContact O-CG 3.31Å; T31-L35 WeakPolarHBondContact O-CG 3.5Å; T31-L35 PolarHBondContact O-N 3.43Å; T31-L35 VanDerWaalsContact O-N 3.09Å; L32-L35 PolarHBondContact O-N 3.07Å; R33-L35 PolarHBondContact O-N 3.25Å; L35-V189 HydrophobicContact CD1-CG2 4.23Å; L35-F192 HydrophobicContact CD1-CB 4.11Å
36G98.6Very high98.4Very high39 Ų3951.2 Ų51.240%0.40227%0.267SS..THydrogen-bonded Turntrans91.415.5176.100000115.4M1 L32 R33 D34M1-G36 WeakPolarHBondContact CB-O 3.32Å; M1-G36 VanDerWaalsContact CG-O 3.25Å; M1-G36 WeakPolarHBondContact CG-O 3.44Å; L32-G36 PolarHBondContact O-N 3.14Å; R33-G36 WeakPolarHBondContact O-CA 3.28Å; R33-G36 PolarHBondContact O-N 3.43Å; D34-G36 PolarHBondContact O-N 2.8Å
37H98.8Very high98.3Very high12 Ų1253.2 Ų53.26%0.05628%0.282CS..  trans-83.7148.8175.7-66.1-92000112.8S2 I4 L32 F192S2-H37 WeakPolarHBondContact CB-ND1 3.15Å; S2-H37 PolarHBondContact N-ND1 3.44Å; S2-H37 WeakPolarHBondContact O-CB 3.45Å; S2-H37 PolarHBondContact O-ND1 2.87Å; S2-H37 VanDerWaalsContact O-ND1 3.11Å; I4-H37 HydrophobicContact CD1-CB 3.91Å; I4-H37 HydrophobicContact CG1-CB 4.39Å; L32-H37 HydrophobicContact CB-CB 4.29Å; L32-H37 WeakPolarHBondContact O-CB 3.35Å; L32-H37 PolarHBondContact O-CD2 2.89Å; L32-H37 PolarHBondContact O-N 2.99Å; H37-F192 PolarHBondContact NE2-O 3Å
38D98.9Very high98.3Very high96 Ų9654.6 Ų54.651%0.51329%0.287SS..EExtended strand (participates in β ladder)trans-83.1128166.5-71.5-52.4000109.4S2 I4 W59S2-D38 PolarHBondContact O-N 2.94Å; I4-D38 PolarHBondContact N-O 3.19Å; D38-W59 HydrophobicContact CB-CH2 4.25Å; D38-W59 HydrophobicContact CB-CZ2 3.84Å; D38-W59 WeakPolarHBondContact O-CH2 3.38Å
39V98.9Very high98.2Very high11 Ų1159.2 Ų59.27%0.06731%0.311CS..EExtended strand (participates in β ladder)trans-121.4134.4-175.9-176.10000111.3I4 I6 D29 L32 R33 I41I4-V39 CarbonylContact O-C 3.6Å; I4-V39 VanDerWaalsContact O-CA 3.31Å; I4-V39 WeakPolarHBondContact O-CA 3.45Å; I6-V39 HydrophobicContact CD1-CG1 3.67Å; I6-V39 HydrophobicContact CG1-CG1 4Å; D29-V39 WeakPolarHBondContact OD1-CB 3.45Å; D29-V39 VanDerWaalsContact OD1-CG1 3.3Å; D29-V39 WeakPolarHBondContact OD1-CG1 3.39Å; L32-V39 HydrophobicContact CB-CG2 3.74Å; L32-V39 HydrophobicContact CD1-CG2 4.41Å; R33-V39 HydrophobicContact CG-CB 4.34Å; R33-V39 HydrophobicContact CG-CG2 3.96Å; R33-V39 PolarHBondContact NH2-O 3.18Å; V39-I41 HydrophobicContact CG1-CG1 4.17Å
40R98.8Very high98.2Very high104 Ų10459.4 Ų59.439%0.39231%0.314SS..EExtended strand (participates in β ladder)trans-117.6145.1164.1-70.2-176.7-173.1-173.42.2109.6I4 L5 I6 N56 W59I4-R40 PolarHBondContact O-N 2.68Å; L5-R40 CarbonylContact C-O 3.57Å; L5-R40 WeakPolarHBondContact CA-O 3.13Å; L5-R40 HydrophobicContact CD1-CB 4.01Å; I6-R40 PolarHBondContact N-O 2.59Å; R40-N56 WeakPolarHBondContact CD-OD1 3.49Å; R40-N56 PolarHBondContact NH1-OD1 3.09Å; R40-W59 HydrophobicContact CB-CE3 4.47Å; R40-W59 HydrophobicContact CB-CH2 4.19Å; R40-W59 HydrophobicContact CB-CZ3 3.8Å; R40-W59 HydrophobicContact CG-CE3 4.1Å; R40-W59 HydrophobicContact CG-CH2 3.68Å; R40-W59 HydrophobicContact CG-CZ2 4.23Å; R40-W59 HydrophobicContact CG-CZ3 3.6Å
41I98.8Very high98.2Very high77 Ų7764.5 Ų64.540%0.39533%0.329SS..EExtended strand (participates in β ladder)trans-126.1133.5-180-52.5173.1000108.7I6 T25 D29 V39I6-I41 HydrophobicContact CB-CG1 4.37Å; I6-I41 HydrophobicContact CD1-CG1 4.44Å; I6-I41 WeakPolarHBondContact O-CA 3.28Å; T25-I41 HydrophobicContact CG2-CD1 4.11Å; T25-I41 HydrophobicContact CG2-CG1 4.48Å; T25-I41 HydrophobicContact CG2-CG2 3.61Å; D29-I41 HydrophobicContact CB-CD1 3.78Å; V39-I41 HydrophobicContact CG1-CG1 4.17Å
42V98.3Very high98.2Very high15 Ų1566 Ų669%0.09134%0.342CS..EExtended strand (participates in β ladder)trans-131.7139.11761770000108.9L5 I6 I7 N8 E53 Y81L5-V42 HydrophobicContact CD1-CG2 3.94Å; I6-V42 PolarHBondContact O-N 3.35Å; I7-V42 CarbonylContact C-O 3.59Å; I7-V42 WeakPolarHBondContact CA-O 3.38Å; I7-V42 HydrophobicContact CD1-CB 3.96Å; N8-V42 PolarHBondContact N-O 3.43Å; V42-E53 WeakPolarHBondContact CG2-OE2 3.45Å; V42-Y81 HydrophobicContact CG1-CE2 4.05Å
43R97.9Very high98.2Very high79 Ų7966.7 Ų66.730%0.29835%0.345SS..EExtended strand (participates in β ladder)trans-94.4123.9173.2167.5144.9-98.9149.63.9109.9N8 A10 D22 D45 S46N8-R43 VanDerWaalsContact CG-NH2 3.28Å; N8-R43 PolarHBondContact ND2-NH2 3.21Å; N8-R43 VanDerWaalsContact ND2-NH2 3.18Å; N8-R43 WeakPolarHBondContact O-CA 3.37Å; N8-R43 PolarHBondContact OD1-NH2 2.76Å; A10-R43 PolarHBondContact O-NE 3.09Å; A10-R43 VanDerWaalsContact O-NE 3.08Å; A10-R43 PolarHBondContact O-NH2 3.48Å; D22-R43 IonicContact OD1-CZ 2.59Å; D22-R43 IonicContact OD1-NH1 3.82Å; D22-R43 PolarHBondContact OD1-NH1 3.36Å; D22-R43 IonicContact OD1-NH2 2.74Å; D22-R43 PolarHBondContact OD1-NH2 3.04Å; D22-R43 IonicContact OD2-NH1 2.68Å; D22-R43 IonicContact OD2-NH2 3.08Å; R43-D45 HydrophobicContact CG-CB 4.2Å; R43-D45 PolarHBondContact O-N 3.32Å; R43-S46 PolarHBondContact O-N 2.87Å; R43-S46 PolarHBondContact O-OG 3.32Å
44A97.9Very high98.2Very high3 Ų361.3 Ų61.33%0.02533%0.325CS..THydrogen-bonded Turntrans-67.5-16.3-179.500000114I7 N8 Y48 V78 Y81I7-A44 HydrophobicContact CG2-CB 4.07Å; N8-A44 PolarHBondContact O-N 3.16Å; A44-Y48 WeakPolarHBondContact O-CE1 3.49Å; A44-V78 HydrophobicContact CB-CG2 3.92Å; A44-Y81 HydrophobicContact CB-CD2 4.29Å; A44-Y81 HydrophobicContact CB-CG 4.32Å
45D96Very high98.2Very high65 Ų6559.8 Ų59.835%0.34831%0.314SS..THydrogen-bonded Turntrans-98.613.6177.1-164.736.2000113.1K11 R43 T77K11-D45 WeakPolarHBondContact CG-OD2 3.35Å; K11-D45 IonicContact NZ-OD1 3.66Å; K11-D45 PolarHBondContact NZ-OD1 3.08Å; K11-D45 IonicContact NZ-OD2 3.14Å; K11-D45 PolarHBondContact NZ-OD2 2.88Å; R43-D45 HydrophobicContact CG-CB 4.2Å; R43-D45 PolarHBondContact O-N 3.32Å; D45-T77 HydrophobicContact CB-CG2 4.17Å; D45-T77 VanDerWaalsContact OD1-CG2 3.23Å; D45-T77 WeakPolarHBondContact OD1-CG2 3.15Å
46S96.1Very high98.2Very high53 Ų5358.4 Ų58.437%0.37131%0.307SS..SBendtrans-94.6172.3176.971.50000112.7R43 Y48R43-S46 PolarHBondContact O-N 2.87Å; R43-S46 PolarHBondContact O-OG 3.32Å; S46-Y48 VanDerWaalsContact C-N 3.29Å; S46-Y48 WeakPolarHBondContact O-CD1 3.47Å; S46-Y48 WeakPolarHBondContact O-CE1 3.45Å; S46-Y48 PolarHBondContact O-N 2.74Å
47D96.8Very high98.2Very high177 Ų17756.7 Ų56.795%0.94729%0.288SS*.  trans-79.674.2168.5-64.5-39.7000110.4
48Y97.7Very high98.2Very high36 Ų3659 Ų5914%0.14130%0.3CS..  trans-80148.2179.652.4-96.3000112.6A44 S46 V50 E53 K80 Y81 D84A44-Y48 WeakPolarHBondContact O-CE1 3.49Å; S46-Y48 VanDerWaalsContact C-N 3.29Å; S46-Y48 WeakPolarHBondContact O-CD1 3.47Å; S46-Y48 WeakPolarHBondContact O-CE1 3.45Å; S46-Y48 PolarHBondContact O-N 2.74Å; Y48-V50 HydrophobicContact CD2-CG2 4.33Å; Y48-V50 HydrophobicContact CE2-CG2 4.15Å; Y48-E53 HydrophobicContact CD2-CG 4.01Å; Y48-E53 HydrophobicContact CG-CG 4.18Å; Y48-K80 PolarHBondContact OH-NZ 3.39Å; Y48-Y81 AromaticContact CD1-CD2 3.86Å; Y48-Y81 HydrophobicContact CD1-CD2 3.86Å; Y48-Y81 HydrophobicContact CD1-CE2 4.21Å; Y48-Y81 HydrophobicContact CD2-CD2 4.28Å; Y48-Y81 HydrophobicContact CD2-CE2 4.35Å; Y48-Y81 AromaticContact CE1-CD2 3.66Å; Y48-Y81 HydrophobicContact CE1-CD2 3.66Å; Y48-Y81 HydrophobicContact CE1-CE2 4.44Å; Y48-Y81 HydrophobicContact CE2-CD2 4.08Å; Y48-Y81 HydrophobicContact CG-CD2 4.2Å; Y48-Y81 HydrophobicContact CG-CE2 4.2Å; Y48-Y81 AromaticContact CZ-CD2 3.79Å; Y48-D84 HydrophobicContact CE2-CB 4.36Å; Y48-D84 PolarHBondContact OH-OD2 3.44Å
49D98.4Very high98.2Very high98 Ų9857.3 Ų57.352%0.52429%0.287SS..  trans-85113.8168.3178.3-84000109.3K51 A52 E53D49-K51 PolarHBondContact O-N 3.17Å; D49-K51 VanDerWaalsContact O-N 3.14Å; D49-K51 WeakPolarHBondContact OD1-CA 3.38Å; D49-K51 WeakPolarHBondContact OD1-CB 3.39Å; D49-K51 PolarHBondContact OD1-N 2.96Å; D49-A52 HydrophobicContact CB-CB 3.9Å; D49-A52 WeakPolarHBondContact O-CB 3.37Å; D49-A52 PolarHBondContact O-N 3.36Å; D49-A52 VanDerWaalsContact O-N 3.07Å; D49-A52 PolarHBondContact OD1-N 3.05Å; D49-E53 WeakPolarHBondContact O-CG 3.07Å; D49-E53 PolarHBondContact O-N 2.69Å
50V98.4Very high98.2Very high40 Ų4056.8 Ų56.824%0.24228%0.284CS..Hα-helixtrans-57.1-35.7-172.9-170.30000112.1Y48 E53 V54 D84 V85 E88Y48-V50 HydrophobicContact CD2-CG2 4.33Å; Y48-V50 HydrophobicContact CE2-CG2 4.15Å; V50-E53 PolarHBondContact O-N 2.69Å; V50-V54 WeakPolarHBondContact O-CG2 3.23Å; V50-V54 PolarHBondContact O-N 3.17Å; V50-D84 HydrophobicContact CG1-CB 4.07Å; V50-D84 HydrophobicContact CG2-CB 4.21Å; V50-V85 HydrophobicContact CG1-CG2 4.18Å; V50-E88 HydrophobicContact CB-CG 4.47Å; V50-E88 HydrophobicContact CG1-CB 3.49Å; V50-E88 VanDerWaalsContact CG1-CB 3.49Å; V50-E88 HydrophobicContact CG1-CG 3.79Å
51K98.4Very high98.2Very high134 Ų13455 Ų5558%0.58328%0.282SS*.Hα-helixtrans-72.9-39.5179.9-68.1-179.9177.6179.20111.6D49 E53 V54 Q55 E88D49-K51 PolarHBondContact O-N 3.17Å; D49-K51 VanDerWaalsContact O-N 3.14Å; D49-K51 WeakPolarHBondContact OD1-CA 3.38Å; D49-K51 WeakPolarHBondContact OD1-CB 3.39Å; D49-K51 PolarHBondContact OD1-N 2.96Å; K51-E53 VanDerWaalsContact C-N 3.26Å; K51-E53 PolarHBondContact O-N 2.83Å; K51-V54 WeakPolarHBondContact O-CB 3.36Å; K51-V54 PolarHBondContact O-N 2.89Å; K51-Q55 WeakPolarHBondContact O-CG 3.4Å; K51-Q55 PolarHBondContact O-N 2.98Å; K51-Q55 VanDerWaalsContact O-N 3.09Å; K51-E88 WeakPolarHBondContact CE-OE1 3.32Å; K51-E88 HydrophobicContact CG-CG 4.25Å
52A98.6Very high98.2Very high43 Ų4351.7 Ų51.736%0.35527%0.266SS..Hα-helixtrans-61.5-38.4172.500000111D49 Q55 N56D49-A52 HydrophobicContact CB-CB 3.9Å; D49-A52 WeakPolarHBondContact O-CB 3.37Å; D49-A52 PolarHBondContact O-N 3.36Å; D49-A52 VanDerWaalsContact O-N 3.07Å; D49-A52 PolarHBondContact OD1-N 3.05Å; A52-Q55 CarbonylContact O-C 3.57Å; A52-Q55 WeakPolarHBondContact O-CA 3.44Å; A52-Q55 WeakPolarHBondContact O-CB 3.34Å; A52-Q55 PolarHBondContact O-N 3.02Å; A52-Q55 VanDerWaalsContact O-N 3.08Å; A52-N56 PolarHBondContact O-N 3.37Å
53E98.8Very high98.3Very high14 Ų1451 Ų517%0.06526%0.262CS..Hα-helixtrans-66.5-38.8175.5-63.5-43.1136.400112.9V42 Y48 D49 V50 K51 Q55 N56 F57 Y81 V85V42-E53 WeakPolarHBondContact CG2-OE2 3.45Å; Y48-E53 HydrophobicContact CD2-CG 4.01Å; Y48-E53 HydrophobicContact CG-CG 4.18Å; D49-E53 WeakPolarHBondContact O-CG 3.07Å; D49-E53 PolarHBondContact O-N 2.69Å; V50-E53 PolarHBondContact O-N 2.69Å; K51-E53 VanDerWaalsContact C-N 3.26Å; K51-E53 PolarHBondContact O-N 2.83Å; E53-Q55 PolarHBondContact O-N 2.8Å; E53-N56 WeakPolarHBondContact O-CB 3.4Å; E53-N56 PolarHBondContact O-N 3.1Å; E53-N56 VanDerWaalsContact O-N 3.07Å; E53-N56 PolarHBondContact OE2-ND2 3.38Å; E53-F57 WeakPolarHBondContact O-CD2 3.2Å; E53-F57 PolarHBondContact O-N 3.39Å; E53-F57 VanDerWaalsContact O-N 3.08Å; E53-Y81 HydrophobicContact CB-CE2 4.39Å; E53-Y81 WeakPolarHBondContact CB-OH 3.25Å; E53-Y81 HydrophobicContact CG-CE2 3.84Å; E53-Y81 PolarHBondContact OE2-OH 2.94Å; E53-V85 HydrophobicContact CB-CB 4.49Å; E53-V85 HydrophobicContact CB-CG1 4.02Å; E53-V85 HydrophobicContact CB-CG2 3.56Å; E53-V85 HydrophobicContact CG-CG2 4.22Å
54V98.8Very high98.3Very high5 Ų547.3 Ų47.33%0.0325%0.247CC..Hα-helixtrans-57-41.5169.2172.20000110.8V50 K51 N56 F57 L58 V85 E88 T92 L93V50-V54 WeakPolarHBondContact O-CG2 3.23Å; V50-V54 PolarHBondContact O-N 3.17Å; K51-V54 WeakPolarHBondContact O-CB 3.36Å; K51-V54 PolarHBondContact O-N 2.89Å; V54-N56 VanDerWaalsContact C-N 3.33Å; V54-N56 PolarHBondContact O-N 3.38Å; V54-F57 PolarHBondContact O-N 3.06Å; V54-L58 HydrophobicContact CG1-CD1 4.33Å; V54-L58 WeakPolarHBondContact O-CG 3.13Å; V54-L58 PolarHBondContact O-N 3.46Å; V54-V85 HydrophobicContact CG2-CG1 4.01Å; V54-V85 WeakPolarHBondContact CG2-O 3.45Å; V54-E88 HydrophobicContact CG2-CB 4.22Å; V54-E88 HydrophobicContact CG2-CG 4.17Å; V54-T92 WeakPolarHBondContact CG1-OG1 3.42Å; V54-L93 HydrophobicContact CG1-CD1 4.44Å; V54-L93 HydrophobicContact CG1-CD2 4.43Å; V54-L93 HydrophobicContact CG1-CG 4.21Å; V54-L93 HydrophobicContact CG2-CD1 4.43Å
55Q98.8Very high98.4Very high109 Ų10947.2 Ų47.251%0.50925%0.246SC..Hα-helixtrans-66-33.8175.8-60.5-49.6-5800112.8K51 A52 E53 F57 L58 W59K51-Q55 WeakPolarHBondContact O-CG 3.4Å; K51-Q55 PolarHBondContact O-N 2.98Å; K51-Q55 VanDerWaalsContact O-N 3.09Å; A52-Q55 CarbonylContact O-C 3.57Å; A52-Q55 WeakPolarHBondContact O-CA 3.44Å; A52-Q55 WeakPolarHBondContact O-CB 3.34Å; A52-Q55 PolarHBondContact O-N 3.02Å; A52-Q55 VanDerWaalsContact O-N 3.08Å; E53-Q55 PolarHBondContact O-N 2.8Å; Q55-F57 VanDerWaalsContact C-N 3.33Å; Q55-F57 PolarHBondContact O-N 3.33Å; Q55-L58 PolarHBondContact O-N 3.42Å; Q55-W59 WeakPolarHBondContact O-CB 3.48Å; Q55-W59 PolarHBondContact O-N 2.94Å
56N98.8Very high98.5Very high17 Ų1744.1 Ų44.19%0.09123%0.23CC..Hα-helixtrans-61.8-41.8173.4-73.8-30.7000111.4L5 R40 A52 E53 V54 W59 A60L5-N56 HydrophobicContact CD1-CB 4.05Å; L5-N56 HydrophobicContact CD2-CB 3.72Å; L5-N56 HydrophobicContact CG-CB 4.5Å; R40-N56 WeakPolarHBondContact CD-OD1 3.49Å; R40-N56 PolarHBondContact NH1-OD1 3.09Å; A52-N56 PolarHBondContact O-N 3.37Å; E53-N56 WeakPolarHBondContact O-CB 3.4Å; E53-N56 PolarHBondContact O-N 3.1Å; E53-N56 VanDerWaalsContact O-N 3.07Å; E53-N56 PolarHBondContact OE2-ND2 3.38Å; V54-N56 VanDerWaalsContact C-N 3.33Å; V54-N56 PolarHBondContact O-N 3.38Å; N56-W59 PolarHBondContact O-N 3.29Å; N56-A60 WeakPolarHBondContact O-CB 3.21Å; N56-A60 PolarHBondContact O-N 3.48Å
57F98.8Very high98.6Very high2 Ų241.6 Ų41.61%0.00921%0.212CC..Hα-helixtrans-65.2-37.1174.8-86.9-102.7000112.9L5 E53 V54 Q55 V63 W65 Y81 V85 F86 L93 K117L5-F57 HydrophobicContact CD2-CD2 3.85Å; L5-F57 HydrophobicContact CD2-CE2 3.85Å; L5-F57 HydrophobicContact CD2-CZ 4.49Å; E53-F57 WeakPolarHBondContact O-CD2 3.2Å; E53-F57 PolarHBondContact O-N 3.39Å; E53-F57 VanDerWaalsContact O-N 3.08Å; V54-F57 PolarHBondContact O-N 3.06Å; Q55-F57 VanDerWaalsContact C-N 3.33Å; Q55-F57 PolarHBondContact O-N 3.33Å; F57-V63 HydrophobicContact CD1-CG2 3.97Å; F57-V63 HydrophobicContact CE1-CB 4.43Å; F57-V63 HydrophobicContact CE1-CG1 4.12Å; F57-V63 HydrophobicContact CE1-CG2 3.82Å; F57-V63 HydrophobicContact CZ-CG1 4.02Å; F57-V63 HydrophobicContact CZ-CG2 4.34Å; F57-W65 HydrophobicContact CE1-CZ2 4.14Å; F57-W65 AromaticContact CZ-CH2 3.86Å; F57-W65 HydrophobicContact CZ-CH2 3.86Å; F57-W65 AromaticContact CZ-CZ2 3.63Å; F57-W65 HydrophobicContact CZ-CZ2 3.63Å; F57-Y81 AromaticContact CE2-CE1 3.88Å; F57-Y81 HydrophobicContact CE2-CE1 3.88Å; F57-Y81 HydrophobicContact CZ-CE1 4.32Å; F57-V85 HydrophobicContact CD2-CG1 4.06Å; F57-V85 HydrophobicContact CE2-CG1 4.18Å; F57-F86 HydrophobicContact CD1-CE1 4.21Å; F57-F86 AromaticContact CE1-CE1 3.52Å; F57-F86 HydrophobicContact CE1-CE1 3.52Å; F57-F86 HydrophobicContact CE1-CZ 4.07Å; F57-F86 HydrophobicContact CE2-CE1 4.49Å; F57-F86 AromaticContact CZ-CE1 3.7Å; F57-F86 HydrophobicContact CZ-CE1 3.7Å; F57-F86 HydrophobicContact CZ-CZ 4.4Å; F57-L93 HydrophobicContact CB-CD1 4.27Å; F57-L93 HydrophobicContact CB-CD2 3.76Å; F57-L93 HydrophobicContact CG-CD1 4.49Å; F57-K117 VanDerWaalsContact O-CE 3.25Å; F57-K117 WeakPolarHBondContact O-CE 3.45Å
58L98.7Very high98.6Very high60 Ų6033.6 Ų33.631%0.31417%0.17SC..Hα-helixtrans-69-37.9175.8-67.5173.4000112V54 Q55 L93 V114 K117V54-L58 HydrophobicContact CG1-CD1 4.33Å; V54-L58 WeakPolarHBondContact O-CG 3.13Å; V54-L58 PolarHBondContact O-N 3.46Å; Q55-L58 PolarHBondContact O-N 3.42Å; L58-L93 HydrophobicContact CD2-CD2 3.92Å; L58-L93 HydrophobicContact CG-CD2 4.16Å; L58-V114 HydrophobicContact CD2-CG1 4.14Å; L58-K117 PolarHBondContact O-NZ 3.28Å
59W98.8Very high98.6Very high62 Ų6232.9 Ų32.924%0.23517%0.174CC..Hα-helixtrans-68.2-40.4177.2169.980.1000113N3 D38 R40 Q55 N56N3-W59 HydrophobicContact CB-CD2 3.92Å; N3-W59 HydrophobicContact CB-CE3 4.06Å; N3-W59 HydrophobicContact CB-CH2 3.67Å; N3-W59 HydrophobicContact CB-CZ2 3.51Å; N3-W59 HydrophobicContact CB-CZ3 3.94Å; N3-W59 VanDerWaalsContact CB-O 3.32Å; N3-W59 WeakPolarHBondContact CB-O 3.37Å; N3-W59 VanDerWaalsContact CG-CZ2 3.44Å; N3-W59 PolarHBondContact ND2-NE1 2.91Å; N3-W59 PolarHBondContact ND2-O 3.44Å; N3-W59 WeakPolarHBondContact OD1-CZ2 3.32Å; D38-W59 HydrophobicContact CB-CH2 4.25Å; D38-W59 HydrophobicContact CB-CZ2 3.84Å; D38-W59 WeakPolarHBondContact O-CH2 3.38Å; R40-W59 HydrophobicContact CB-CE3 4.47Å; R40-W59 HydrophobicContact CB-CH2 4.19Å; R40-W59 HydrophobicContact CB-CZ3 3.8Å; R40-W59 HydrophobicContact CG-CE3 4.1Å; R40-W59 HydrophobicContact CG-CH2 3.68Å; R40-W59 HydrophobicContact CG-CZ2 4.23Å; R40-W59 HydrophobicContact CG-CZ3 3.6Å; Q55-W59 WeakPolarHBondContact O-CB 3.48Å; Q55-W59 PolarHBondContact O-N 2.94Å; N56-W59 PolarHBondContact O-N 3.29Å
60A98.9Very high98.4Very high0 Ų029.8 Ų29.80%016%0.155CC..  trans-74.2136-173.700000112.7N3 L5 N56 V63 K117N3-A60 CarbonylContact O-C 3.58Å; L5-A60 HydrophobicContact CB-CB 3.65Å; N56-A60 WeakPolarHBondContact O-CB 3.21Å; N56-A60 PolarHBondContact O-N 3.48Å; A60-V63 HydrophobicContact CB-CG2 4.24Å; A60-K117 WeakPolarHBondContact O-CD 3.43Å; A60-K117 WeakPolarHBondContact O-CE 3.5Å; A60-K117 PolarHBondContact O-NZ 2.89Å
61D98.9Very high98.3Very high66 Ų6639.3 Ų39.335%0.35319%0.187SC..SBendtrans-81.6-31.3164.8-58.1-54000110.8S2 N3 K117 K118S2-D61 WeakPolarHBondContact CA-OD2 3.09Å; N3-D61 PolarHBondContact N-OD2 2.91Å; N3-D61 PolarHBondContact O-N 3.41Å; D61-K117 CarbonylContact O-C 3.58Å; D61-K117 WeakPolarHBondContact O-CA 3.46Å; D61-K118 PolarHBondContact O-N 2.91Å
62V98.9Very high98.3Very high8 Ų837 Ų375%0.04818%0.178CC..EExtended strand (participates in β ladder)trans-132.7136178.7-172.30000111.6N3 I4 L5 K118 L163 F192N3-V62 PolarHBondContact O-N 3.27Å; N3-V62 VanDerWaalsContact O-N 3.12Å; I4-V62 WeakPolarHBondContact CA-O 3.46Å; I4-V62 HydrophobicContact CG1-CB 4.31Å; L5-V62 PolarHBondContact N-O 2.77Å; V62-K118 CarbonylContact C-O 3.34Å; V62-K118 VanDerWaalsContact CA-O 3.25Å; V62-K118 WeakPolarHBondContact CA-O 3.45Å; V62-K118 HydrophobicContact CG1-CB 4.34Å; V62-K118 HydrophobicContact CG2-CB 4.13Å; V62-L163 HydrophobicContact CG1-CD1 3.63Å; V62-F192 HydrophobicContact CB-CE1 4.21Å; V62-F192 HydrophobicContact CG1-CE1 4.04Å; V62-F192 HydrophobicContact CG1-CZ 3.91Å; V62-F192 HydrophobicContact CG2-CE1 4.02Å
63V99Very high98.2Very high1 Ų135.7 Ų35.71%0.00617%0.17CC..EExtended strand (participates in β ladder)trans-110.4123172.4-177.90000110.3L5 I7 F57 A60 W65 K118 Y119 M120 M160L5-V63 HydrophobicContact CB-CG2 4.36Å; L5-V63 HydrophobicContact CD2-CG1 4.5Å; L5-V63 HydrophobicContact CD2-CG2 4.31Å; L5-V63 CarbonylContact O-C 3.48Å; L5-V63 VanDerWaalsContact O-CA 3.3Å; L5-V63 WeakPolarHBondContact O-CA 3.39Å; I7-V63 HydrophobicContact CG1-CG1 4.04Å; F57-V63 HydrophobicContact CD1-CG2 3.97Å; F57-V63 HydrophobicContact CE1-CB 4.43Å; F57-V63 HydrophobicContact CE1-CG1 4.12Å; F57-V63 HydrophobicContact CE1-CG2 3.82Å; F57-V63 HydrophobicContact CZ-CG1 4.02Å; F57-V63 HydrophobicContact CZ-CG2 4.34Å; A60-V63 HydrophobicContact CB-CG2 4.24Å; V63-W65 HydrophobicContact CG1-CZ2 4.25Å; V63-K118 PolarHBondContact N-O 3.45Å; V63-Y119 CarbonylContact O-C 3.59Å; V63-Y119 WeakPolarHBondContact O-CA 3.46Å; V63-Y119 WeakPolarHBondContact O-CB 3.45Å; V63-M120 PolarHBondContact O-N 3.32Å; V63-M160 HydrophobicContact CB-CE 4.14Å; V63-M160 HydrophobicContact CG2-CE 3.82Å
64I99Very high98.2Very high0 Ų036.2 Ų36.20%018%0.176CC..EExtended strand (participates in β ladder)trans-102.1121.9174.2-60179000108.9I4 L5 I6 I7 L32 M120 L188 F192I4-I64 HydrophobicContact CG2-CD1 3.76Å; I4-I64 HydrophobicContact CG2-CG1 3.95Å; L5-I64 PolarHBondContact O-N 2.97Å; I6-I64 CarbonylContact C-O 3.59Å; I6-I64 WeakPolarHBondContact CA-O 3.47Å; I6-I64 HydrophobicContact CG1-CB 4.36Å; I7-I64 PolarHBondContact N-O 3.37Å; L32-I64 HydrophobicContact CD1-CD1 3.74Å; I64-M120 HydrophobicContact CD1-CE 3.88Å; I64-M120 HydrophobicContact CG1-CB 4.29Å; I64-M120 HydrophobicContact CG1-CE 4.03Å; I64-M120 HydrophobicContact CG2-CE 3.81Å; I64-L188 HydrophobicContact CD1-CD2 4.18Å; I64-F192 HydrophobicContact CD1-CE2 4.25Å; I64-F192 HydrophobicContact CD1-CZ 4.26Å
65W98.9Very high98.1Very high1 Ų136 Ų360%0.00418%0.175CC..EExtended strand (participates in β ladder)trans-94.699173.2-63.896.8000109.6I7 F57 V63 M67 V78 Y81 I82 F86 M120 L121 S122 F151 N155I7-W65 HydrophobicContact CB-CD2 4.35Å; I7-W65 HydrophobicContact CB-CE3 3.64Å; I7-W65 HydrophobicContact CB-CZ3 3.76Å; I7-W65 HydrophobicContact CG1-CE3 4.04Å; I7-W65 HydrophobicContact CG1-CH2 4.14Å; I7-W65 HydrophobicContact CG1-CZ3 3.86Å; I7-W65 HydrophobicContact CG2-CE3 3.73Å; I7-W65 HydrophobicContact CG2-CH2 4.47Å; I7-W65 HydrophobicContact CG2-CZ3 3.51Å; F57-W65 HydrophobicContact CE1-CZ2 4.14Å; F57-W65 AromaticContact CZ-CH2 3.86Å; F57-W65 HydrophobicContact CZ-CH2 3.86Å; F57-W65 AromaticContact CZ-CZ2 3.63Å; F57-W65 HydrophobicContact CZ-CZ2 3.63Å; V63-W65 HydrophobicContact CG1-CZ2 4.25Å; W65-M67 HydrophobicContact CB-CE 4.19Å; W65-V78 HydrophobicContact CE3-CG1 3.83Å; W65-V78 HydrophobicContact CZ3-CG1 3.82Å; W65-Y81 AromaticContact CH2-CD1 3.82Å; W65-Y81 HydrophobicContact CH2-CD1 3.82Å; W65-Y81 AromaticContact CH2-CE1 3.89Å; W65-Y81 HydrophobicContact CH2-CE1 3.89Å; W65-Y81 AromaticContact CZ3-CD1 3.95Å; W65-Y81 HydrophobicContact CZ3-CD1 3.95Å; W65-Y81 HydrophobicContact CZ3-CE1 4.21Å; W65-I82 HydrophobicContact CH2-CG2 3.38Å; W65-I82 HydrophobicContact CZ2-CG2 3.94Å; W65-I82 HydrophobicContact CZ3-CG2 3.95Å; W65-F86 HydrophobicContact CZ2-CE1 4.32Å; W65-F86 AromaticContact CZ2-CZ 3.99Å; W65-F86 HydrophobicContact CZ2-CZ 3.99Å; W65-M120 PolarHBondContact N-O 2.89Å; W65-L121 HydrophobicContact CB-CD2 3.94Å; W65-L121 HydrophobicContact CG-CD2 4.14Å; W65-S122 PolarHBondContact O-N 2.98Å; W65-S122 VanDerWaalsContact O-O 3.06Å; W65-F151 HydrophobicContact CB-CE1 4.26Å; W65-F151 AromaticContact CD1-CE1 3.79Å; W65-F151 AromaticContact CD2-CE1 3.84Å; W65-F151 HydrophobicContact CD2-CE1 3.84Å; W65-F151 AromaticContact CD2-CZ 3.67Å; W65-F151 HydrophobicContact CD2-CZ 3.67Å; W65-F151 AromaticContact CE2-CE1 4Å; W65-F151 AromaticContact CE2-CZ 3.97Å; W65-F151 HydrophobicContact CE3-CE1 4.48Å; W65-F151 AromaticContact CE3-CZ 3.86Å; W65-F151 HydrophobicContact CE3-CZ 3.86Å; W65-F151 AromaticContact CG-CE1 3.7Å; W65-F151 HydrophobicContact CG-CE1 3.7Å; W65-F151 AromaticContact CG-CZ 3.98Å; W65-F151 HydrophobicContact CG-CZ 3.98Å; W65-F151 HydrophobicContact CZ2-CZ 4.44Å; W65-F151 HydrophobicContact CZ3-CZ 4.33Å; W65-F151 AromaticContact NE1-CE1 3.93Å; W65-N155 PolarHBondContact NE1-OD1 3.25Å
66Q98.9Very high98Very high0 Ų037.5 Ų37.50%018%0.176CC..EExtended strand (participates in β ladder)trans-89.9106.1173.6177.159.566.400109.3I6 I7 G9 N21 L24 T25 S122I6-Q66 HydrophobicContact CG2-CB 4.38Å; I7-Q66 PolarHBondContact O-N 3.07Å; G9-Q66 WeakPolarHBondContact CA-O 3.45Å; G9-Q66 PolarHBondContact N-O 3.03Å; N21-Q66 HydrophobicContact CB-CG 4.09Å; N21-Q66 WeakPolarHBondContact O-CG 3.47Å; N21-Q66 PolarHBondContact OD1-NE2 2.91Å; L24-Q66 HydrophobicContact CB-CG 4.45Å; T25-Q66 WeakPolarHBondContact OG1-CG 3.42Å; Q66-S122 CarbonylContact C-O 3.37Å; Q66-S122 WeakPolarHBondContact CA-O 3.34Å; Q66-S122 PolarHBondContact NE2-O 2.81Å; Q66-S122 PolarHBondContact OE1-OG 2.59Å
67M98.4Very high98Very high1 Ų136.8 Ų36.81%0.00517%0.173CC..EExtended strand (participates in β ladder)trans-150.4149.9-174.458-179.4170.400115N21 W65 A74 V78 L121 S122 L123 T124 Y148 F151N21-M67 WeakPolarHBondContact OD1-CA 3.4Å; N21-M67 PolarHBondContact OD1-N 2.92Å; N21-M67 PolarHBondContact OD1-O 3.1Å; W65-M67 HydrophobicContact CB-CE 4.19Å; M67-A74 HydrophobicContact CE-CB 4.25Å; M67-A74 HydrophobicContact SD-CB 3.51Å; M67-A74 VanDerWaalsContact SD-CB 3.51Å; M67-V78 HydrophobicContact CB-CG2 4.34Å; M67-V78 HydrophobicContact SD-CG1 3.96Å; M67-L121 HydrophobicContact CE-CD2 4.16Å; M67-S122 PolarHBondContact N-O 2.8Å; M67-L123 HydrophobicContact CE-CD2 3.65Å; M67-L123 HydrophobicContact CG-CD2 3.71Å; M67-L123 WeakPolarHBondContact O-CA 3.4Å; M67-T124 PolarHBondContact O-N 3.2Å; M67-Y148 HydrophobicContact CE-CD1 4.05Å; M67-Y148 HydrophobicContact CE-CE1 3.66Å; M67-F151 HydrophobicContact CE-CD1 3.95Å; M67-F151 HydrophobicContact CE-CD2 4.35Å; M67-F151 HydrophobicContact CE-CE1 3.67Å; M67-F151 HydrophobicContact CE-CE2 4.1Å; M67-F151 HydrophobicContact CE-CG 4.28Å; M67-F151 HydrophobicContact CE-CZ 3.76Å; M67-F151 HydrophobicContact SD-CE2 4.34Å; M67-F151 HydrophobicContact SD-CZ 4.18Å
68P97.3Very high98Very high9 Ų936.7 Ų36.76%0.05817%0.172CC..EExtended strand (participates in β ladder)trans-75.4147.9170.930-31.7000112.1W70 P75 T124P68-W70 PolarHBondContact O-N 2.85Å; P68-P75 HydrophobicContact CG-CG 3.7Å; P68-P75 WeakPolarHBondContact O-CD 3.25Å; P68-T124 VanDerWaalsContact CA-OG1 3.32Å; P68-T124 WeakPolarHBondContact CA-OG1 3.32Å
69G96.3Very high98Very high21 Ų2138.2 Ų38.222%0.21618%0.176CC..  trans-74.4104.8168.500000111.2G73 T124G69-G73 WeakPolarHBondContact CA-O 3.44Å; G69-T124 PolarHBondContact N-O 3.08Å
70W95.2Very high98Very high33 Ų3339.8 Ų39.813%0.12519%0.185CC..BIsolated β-bridgetrans-114123.5175.3-82.115.1000110.2K11 F13 S16 P68 M72 G73 P75K11-W70 HydrophobicContact CB-CH2 3.81Å; K11-W70 HydrophobicContact CB-CZ2 4.32Å; K11-W70 HydrophobicContact CD-CH2 3.76Å; K11-W70 HydrophobicContact CD-CZ3 4.06Å; K11-W70 HydrophobicContact CG-CH2 3.81Å; F13-W70 HydrophobicContact CB-CH2 3.12Å; F13-W70 HydrophobicContact CB-CZ2 3.61Å; F13-W70 HydrophobicContact CB-CZ3 3.93Å; F13-W70 HydrophobicContact CD1-CE3 4.05Å; F13-W70 AromaticContact CD1-CH2 3.47Å; F13-W70 HydrophobicContact CD1-CH2 3.47Å; F13-W70 VanDerWaalsContact CD1-CH2 3.47Å; F13-W70 AromaticContact CD1-CZ2 3.95Å; F13-W70 HydrophobicContact CD1-CZ2 3.95Å; F13-W70 AromaticContact CD1-CZ3 3.46Å; F13-W70 HydrophobicContact CD1-CZ3 3.46Å; F13-W70 VanDerWaalsContact CD1-CZ3 3.46Å; F13-W70 HydrophobicContact CE1-CZ3 4.19Å; F13-W70 AromaticContact CG-CH2 3.57Å; F13-W70 HydrophobicContact CG-CH2 3.57Å; F13-W70 HydrophobicContact CG-CZ2 4.24Å; F13-W70 AromaticContact CG-CZ3 3.87Å; F13-W70 HydrophobicContact CG-CZ3 3.87Å; S16-W70 PolarHBondContact OG-NE1 2.93Å; S16-W70 VanDerWaalsContact OG-NE1 3.13Å; P68-W70 PolarHBondContact O-N 2.85Å; W70-M72 PolarHBondContact O-N 3.18Å; W70-G73 PolarHBondContact N-O 2.64Å; W70-G73 CarbonylContact O-C 3.57Å; W70-G73 PolarHBondContact O-N 2.91Å; W70-P75 HydrophobicContact CD2-CB 4.22Å; W70-P75 HydrophobicContact CD2-CG 4.33Å; W70-P75 HydrophobicContact CE3-CB 3.9Å; W70-P75 HydrophobicContact CG-CG 4.4Å; W70-P75 HydrophobicContact CZ3-CB 4.19Å
71W96.1Very high98Very high240 Ų24039.8 Ų39.891%0.90919%0.185SC*.THydrogen-bonded Turntrans44.451-178.2-70.5109.2000112.9G73W71-G73 VanDerWaalsContact C-N 3.33Å; W71-G73 PolarHBondContact O-N 2.78Å
72M97.5Very high97.9Very high84 Ų8437 Ų3741%0.41417%0.17SC..THydrogen-bonded Turntrans73.113.1176.5-34.8-49.5162.800116.3W70 W125 F138 F139 V147W70-M72 PolarHBondContact O-N 3.18Å; M72-W125 HydrophobicContact CB-CH2 4.3Å; M72-W125 HydrophobicContact SD-CH2 4.2Å; M72-W125 HydrophobicContact SD-CZ3 4.14Å; M72-F138 HydrophobicContact CE-CE1 4.21Å; M72-F138 HydrophobicContact CE-CZ 4.47Å; M72-F138 HydrophobicContact SD-CE1 4.19Å; M72-F139 HydrophobicContact SD-CE1 4.37Å; M72-F139 HydrophobicContact SD-CZ 4.09Å; M72-V147 WeakPolarHBondContact O-CG1 3.3Å
73G97.8Very high97.9Very high17 Ų1740.3 Ų40.318%0.17519%0.187CC..BIsolated β-bridgetrans-162.9-153.2178.800000114.3G69 W70 W71 Y148G69-G73 WeakPolarHBondContact CA-O 3.44Å; W70-G73 PolarHBondContact N-O 2.64Å; W70-G73 CarbonylContact O-C 3.57Å; W70-G73 PolarHBondContact O-N 2.91Å; W71-G73 VanDerWaalsContact C-N 3.33Å; W71-G73 PolarHBondContact O-N 2.78Å; G73-Y148 PolarHBondContact O-OH 2.94Å
74A97.7Very high97.9Very high24 Ų2442.5 Ų42.520%0.19820%0.199CC..  trans-69.3146.4177.600000111.3M67 V78 F151M67-A74 HydrophobicContact CE-CB 4.25Å; M67-A74 HydrophobicContact SD-CB 3.51Å; M67-A74 VanDerWaalsContact SD-CB 3.51Å; A74-V78 HydrophobicContact CB-CB 4.14Å; A74-V78 HydrophobicContact CB-CG1 4.09Å; A74-F151 HydrophobicContact CB-CD2 3.87Å; A74-F151 HydrophobicContact CB-CE2 3.73Å
75P97.2Very high97.9Very high0 Ų042.5 Ų42.50%020%0.199CC..  trans-57.1152.4170.2-24.336.2000111.3P68 W70 T77 V78 K79P68-P75 HydrophobicContact CG-CG 3.7Å; P68-P75 WeakPolarHBondContact O-CD 3.25Å; W70-P75 HydrophobicContact CD2-CB 4.22Å; W70-P75 HydrophobicContact CD2-CG 4.33Å; W70-P75 HydrophobicContact CE3-CB 3.9Å; W70-P75 HydrophobicContact CG-CG 4.4Å; W70-P75 HydrophobicContact CZ3-CB 4.19Å; P75-T77 PolarHBondContact O-N 2.91Å; P75-T77 VanDerWaalsContact O-N 3.1Å; P75-V78 HydrophobicContact CB-CG2 4.41Å; P75-V78 HydrophobicContact CG-CG2 4.3Å; P75-V78 PolarHBondContact O-N 3.12Å; P75-K79 PolarHBondContact O-N 2.76Å
76W97.9Very high97.9Very high141 Ų14143.3 Ų43.353%0.53420%0.202SC..Hα-helixtrans-59.6-27.1-179.869.6-98.5000113K11 K79 K80K11-W76 HydrophobicContact CD-CZ2 4.38Å; W76-K79 PolarHBondContact O-N 2.81Å; W76-K80 HydrophobicContact CZ3-CD 4.37Å; W76-K80 WeakPolarHBondContact O-CB 3.38Å; W76-K80 PolarHBondContact O-N 2.89Å
77T97.7Very high97.9Very high3 Ų347.6 Ų47.62%0.01823%0.229CC..Hα-helixtrans-68.6-42.3174.947.30000112.2K11 D45 P75 K79 K80 Y81K11-T77 HydrophobicContact CD-CG2 3.64Å; D45-T77 HydrophobicContact CB-CG2 4.17Å; D45-T77 VanDerWaalsContact OD1-CG2 3.23Å; D45-T77 WeakPolarHBondContact OD1-CG2 3.15Å; P75-T77 PolarHBondContact O-N 2.91Å; P75-T77 VanDerWaalsContact O-N 3.1Å; T77-K79 VanDerWaalsContact C-N 3.32Å; T77-K80 PolarHBondContact O-N 2.79Å; T77-Y81 WeakPolarHBondContact O-CB 3.32Å; T77-Y81 PolarHBondContact O-N 2.93Å
78V98.6Very high97.9Very high0 Ų052.1 Ų52.10%025%0.25CC..Hα-helixtrans-65.7-39.2172.5-179.50000110.3G9 A44 W65 M67 A74 P75 Y81 I82 F151G9-V78 VanDerWaalsContact CA-CG2 3.44Å; A44-V78 HydrophobicContact CB-CG2 3.92Å; W65-V78 HydrophobicContact CE3-CG1 3.83Å; W65-V78 HydrophobicContact CZ3-CG1 3.82Å; M67-V78 HydrophobicContact CB-CG2 4.34Å; M67-V78 HydrophobicContact SD-CG1 3.96Å; A74-V78 HydrophobicContact CB-CB 4.14Å; A74-V78 HydrophobicContact CB-CG1 4.09Å; P75-V78 HydrophobicContact CB-CG2 4.41Å; P75-V78 HydrophobicContact CG-CG2 4.3Å; P75-V78 PolarHBondContact O-N 3.12Å; V78-Y81 WeakPolarHBondContact O-CB 3.08Å; V78-Y81 PolarHBondContact O-N 2.86Å; V78-I82 PolarHBondContact O-N 2.79Å; V78-F151 HydrophobicContact CG1-CE2 3.93Å; V78-F151 HydrophobicContact CG1-CZ 4.01Å
79K98.6Very high98Very high92 Ų9251.7 Ų51.740%0.425%0.247SC..Hα-helixtrans-63.7-43.1175.6-174.756.3173.871.30111.9P75 W76 T77 I82 D83P75-K79 PolarHBondContact O-N 2.76Å; W76-K79 PolarHBondContact O-N 2.81Å; T77-K79 VanDerWaalsContact C-N 3.32Å; K79-I82 HydrophobicContact CD-CD1 3.76Å; K79-I82 HydrophobicContact CD-CG1 3.97Å; K79-I82 WeakPolarHBondContact O-CG1 3.37Å; K79-I82 PolarHBondContact O-N 2.82Å; K79-D83 IonicContact NZ-OD1 2.74Å; K79-D83 PolarHBondContact NZ-OD1 3.16Å; K79-D83 IonicContact NZ-OD2 2.75Å; K79-D83 PolarHBondContact NZ-OD2 2.89Å; K79-D83 WeakPolarHBondContact O-CB 3.3Å; K79-D83 PolarHBondContact O-N 2.89Å
80K98.6Very high98.1Very high95 Ų9556 Ų5641%0.41326%0.261SS..Hα-helixtrans-61.3-44.7173-177.3-175.5177.6-610111Y48 W76 T77 I82 D83 D84Y48-K80 PolarHBondContact OH-NZ 3.39Å; W76-K80 HydrophobicContact CZ3-CD 4.37Å; W76-K80 WeakPolarHBondContact O-CB 3.38Å; W76-K80 PolarHBondContact O-N 2.89Å; T77-K80 PolarHBondContact O-N 2.79Å; K80-I82 PolarHBondContact O-N 3.46Å; K80-D83 PolarHBondContact O-N 2.72Å; K80-D83 VanDerWaalsContact O-N 3.14Å; K80-D84 IonicContact NZ-OD1 3Å; K80-D84 IonicContact NZ-OD2 3.3Å; K80-D84 PolarHBondContact NZ-OD2 3.05Å; K80-D84 VanDerWaalsContact O-CG 3.24Å; K80-D84 PolarHBondContact O-N 2.84Å
81Y98.7Very high98.2Very high0 Ų056.9 Ų56.90%028%0.28CS..Hα-helixtrans-56.2-48.6177.4-178.9-81.2000111.8I7 V42 A44 Y48 E53 F57 W65 T77 V78 D84 V85I7-Y81 HydrophobicContact CD1-CE1 4.12Å; I7-Y81 WeakPolarHBondContact CD1-OH 3.26Å; I7-Y81 HydrophobicContact CG1-CE1 4.4Å; I7-Y81 HydrophobicContact CG2-CE1 4.43Å; V42-Y81 HydrophobicContact CG1-CE2 4.05Å; A44-Y81 HydrophobicContact CB-CD2 4.29Å; A44-Y81 HydrophobicContact CB-CG 4.32Å; Y48-Y81 AromaticContact CD1-CD2 3.86Å; Y48-Y81 HydrophobicContact CD1-CD2 3.86Å; Y48-Y81 HydrophobicContact CD1-CE2 4.21Å; Y48-Y81 HydrophobicContact CD2-CD2 4.28Å; Y48-Y81 HydrophobicContact CD2-CE2 4.35Å; Y48-Y81 AromaticContact CE1-CD2 3.66Å; Y48-Y81 HydrophobicContact CE1-CD2 3.66Å; Y48-Y81 HydrophobicContact CE1-CE2 4.44Å; Y48-Y81 HydrophobicContact CE2-CD2 4.08Å; Y48-Y81 HydrophobicContact CG-CD2 4.2Å; Y48-Y81 HydrophobicContact CG-CE2 4.2Å; Y48-Y81 AromaticContact CZ-CD2 3.79Å; E53-Y81 HydrophobicContact CB-CE2 4.39Å; E53-Y81 WeakPolarHBondContact CB-OH 3.25Å; E53-Y81 HydrophobicContact CG-CE2 3.84Å; E53-Y81 PolarHBondContact OE2-OH 2.94Å; F57-Y81 AromaticContact CE2-CE1 3.88Å; F57-Y81 HydrophobicContact CE2-CE1 3.88Å; F57-Y81 HydrophobicContact CZ-CE1 4.32Å; W65-Y81 AromaticContact CH2-CD1 3.82Å; W65-Y81 HydrophobicContact CH2-CD1 3.82Å; W65-Y81 AromaticContact CH2-CE1 3.89Å; W65-Y81 HydrophobicContact CH2-CE1 3.89Å; W65-Y81 AromaticContact CZ3-CD1 3.95Å; W65-Y81 HydrophobicContact CZ3-CD1 3.95Å; W65-Y81 HydrophobicContact CZ3-CE1 4.21Å; T77-Y81 WeakPolarHBondContact O-CB 3.32Å; T77-Y81 PolarHBondContact O-N 2.93Å; V78-Y81 WeakPolarHBondContact O-CB 3.08Å; V78-Y81 PolarHBondContact O-N 2.86Å; Y81-D84 PolarHBondContact O-N 2.8Å; Y81-V85 HydrophobicContact CD1-CG2 4.15Å; Y81-V85 HydrophobicContact CD2-CG2 4.36Å; Y81-V85 HydrophobicContact CE1-CB 4.27Å; Y81-V85 HydrophobicContact CE1-CG2 3.87Å; Y81-V85 HydrophobicContact CE2-CG2 4.11Å; Y81-V85 HydrophobicContact CG-CG2 4.37Å; Y81-V85 WeakPolarHBondContact O-CB 3.13Å; Y81-V85 VanDerWaalsContact O-CG2 3.28Å; Y81-V85 WeakPolarHBondContact O-CG2 3.17Å; Y81-V85 PolarHBondContact O-N 3.2Å
82I98.6Very high98.3Very high8 Ų848.1 Ų48.14%0.04125%0.254CS..Hα-helixtrans-67.2-37.2176.667.4170.4000111.8W65 V78 K79 K80 D84 F86 F151 A154W65-I82 HydrophobicContact CH2-CG2 3.38Å; W65-I82 HydrophobicContact CZ2-CG2 3.94Å; W65-I82 HydrophobicContact CZ3-CG2 3.95Å; V78-I82 PolarHBondContact O-N 2.79Å; K79-I82 HydrophobicContact CD-CD1 3.76Å; K79-I82 HydrophobicContact CD-CG1 3.97Å; K79-I82 WeakPolarHBondContact O-CG1 3.37Å; K79-I82 PolarHBondContact O-N 2.82Å; K80-I82 PolarHBondContact O-N 3.46Å; I82-D84 VanDerWaalsContact C-N 3.31Å; I82-D84 PolarHBondContact O-N 2.88Å; I82-F86 HydrophobicContact CB-CD1 4.47Å; I82-F86 HydrophobicContact CB-CD2 4.08Å; I82-F86 HydrophobicContact CB-CE2 4.14Å; I82-F86 HydrophobicContact CB-CG 4.27Å; I82-F86 HydrophobicContact CB-CZ 4.36Å; I82-F86 HydrophobicContact CG2-CE1 4.31Å; I82-F86 HydrophobicContact CG2-CE2 4.2Å; I82-F86 HydrophobicContact CG2-CZ 4.04Å; I82-F86 WeakPolarHBondContact O-CA 3.41Å; I82-F86 WeakPolarHBondContact O-CB 3.44Å; I82-F86 WeakPolarHBondContact O-CG 3.34Å; I82-F86 PolarHBondContact O-N 2.96Å; I82-F151 HydrophobicContact CD1-CD2 4.48Å; I82-F151 HydrophobicContact CD1-CE2 4.23Å; I82-F151 HydrophobicContact CG2-CE2 4.49Å; I82-A154 HydrophobicContact CD1-CB 4.34Å
83D98.8Very high98.4Very high76 Ų7644.1 Ų44.141%0.40623%0.234SC..Hα-helixtrans-63.6-39.6178.5-73.4-17000111.4K79 K80 T87K79-D83 IonicContact NZ-OD1 2.74Å; K79-D83 PolarHBondContact NZ-OD1 3.16Å; K79-D83 IonicContact NZ-OD2 2.75Å; K79-D83 PolarHBondContact NZ-OD2 2.89Å; K79-D83 WeakPolarHBondContact O-CB 3.3Å; K79-D83 PolarHBondContact O-N 2.89Å; K80-D83 PolarHBondContact O-N 2.72Å; K80-D83 VanDerWaalsContact O-N 3.14Å; D83-T87 WeakPolarHBondContact O-CB 3.41Å; D83-T87 PolarHBondContact O-OG1 3.34Å
84D98.7Very high98.4Very high48 Ų4845.5 Ų45.526%0.25723%0.234SC..Hα-helixtrans-70.8-58.2175.4-63.1-24.5000111Y48 V50 K80 Y81 I82 E88Y48-D84 HydrophobicContact CE2-CB 4.36Å; Y48-D84 PolarHBondContact OH-OD2 3.44Å; V50-D84 HydrophobicContact CG1-CB 4.07Å; V50-D84 HydrophobicContact CG2-CB 4.21Å; K80-D84 IonicContact NZ-OD1 3Å; K80-D84 IonicContact NZ-OD2 3.3Å; K80-D84 PolarHBondContact NZ-OD2 3.05Å; K80-D84 VanDerWaalsContact O-CG 3.24Å; K80-D84 PolarHBondContact O-N 2.84Å; Y81-D84 PolarHBondContact O-N 2.8Å; I82-D84 VanDerWaalsContact C-N 3.31Å; I82-D84 PolarHBondContact O-N 2.88Å; D84-E88 VanDerWaalsContact O-CB 3.29Å; D84-E88 WeakPolarHBondContact O-CB 3.45Å; D84-E88 PolarHBondContact O-N 3Å
85V98.8Very high98.5Very high0 Ų046.7 Ų46.70%024%0.244CC..Hα-helixtrans-71.9-43.2-168.6177.60000111.9V50 E53 V54 F57 Y81 T87 G89 L93V50-V85 HydrophobicContact CG1-CG2 4.18Å; E53-V85 HydrophobicContact CB-CB 4.49Å; E53-V85 HydrophobicContact CB-CG1 4.02Å; E53-V85 HydrophobicContact CB-CG2 3.56Å; E53-V85 HydrophobicContact CG-CG2 4.22Å; V54-V85 HydrophobicContact CG2-CG1 4.01Å; V54-V85 WeakPolarHBondContact CG2-O 3.45Å; F57-V85 HydrophobicContact CD2-CG1 4.06Å; F57-V85 HydrophobicContact CE2-CG1 4.18Å; Y81-V85 HydrophobicContact CD1-CG2 4.15Å; Y81-V85 HydrophobicContact CD2-CG2 4.36Å; Y81-V85 HydrophobicContact CE1-CB 4.27Å; Y81-V85 HydrophobicContact CE1-CG2 3.87Å; Y81-V85 HydrophobicContact CE2-CG2 4.11Å; Y81-V85 HydrophobicContact CG-CG2 4.37Å; Y81-V85 WeakPolarHBondContact O-CB 3.13Å; Y81-V85 VanDerWaalsContact O-CG2 3.28Å; Y81-V85 WeakPolarHBondContact O-CG2 3.17Å; Y81-V85 PolarHBondContact O-N 3.2Å; V85-T87 VanDerWaalsContact C-N 3.33Å; V85-G89 PolarHBondContact O-N 2.87Å; V85-L93 HydrophobicContact CG1-CD1 4.49Å
86F98.8Very high98.5Very high18 Ų1849 Ų498%0.07926%0.26CS..Hα-helixtrans-69.2-38.2-178.7-673.5000110.3F57 W65 I82 G89 L93 Y94 A154 L158F57-F86 HydrophobicContact CD1-CE1 4.21Å; F57-F86 AromaticContact CE1-CE1 3.52Å; F57-F86 HydrophobicContact CE1-CE1 3.52Å; F57-F86 HydrophobicContact CE1-CZ 4.07Å; F57-F86 HydrophobicContact CE2-CE1 4.49Å; F57-F86 AromaticContact CZ-CE1 3.7Å; F57-F86 HydrophobicContact CZ-CE1 3.7Å; F57-F86 HydrophobicContact CZ-CZ 4.4Å; W65-F86 HydrophobicContact CZ2-CE1 4.32Å; W65-F86 AromaticContact CZ2-CZ 3.99Å; W65-F86 HydrophobicContact CZ2-CZ 3.99Å; I82-F86 HydrophobicContact CB-CD1 4.47Å; I82-F86 HydrophobicContact CB-CD2 4.08Å; I82-F86 HydrophobicContact CB-CE2 4.14Å; I82-F86 HydrophobicContact CB-CG 4.27Å; I82-F86 HydrophobicContact CB-CZ 4.36Å; I82-F86 HydrophobicContact CG2-CE1 4.31Å; I82-F86 HydrophobicContact CG2-CE2 4.2Å; I82-F86 HydrophobicContact CG2-CZ 4.04Å; I82-F86 WeakPolarHBondContact O-CA 3.41Å; I82-F86 WeakPolarHBondContact O-CB 3.44Å; I82-F86 WeakPolarHBondContact O-CG 3.34Å; I82-F86 PolarHBondContact O-N 2.96Å; F86-G89 PolarHBondContact O-N 3.05Å; F86-L93 HydrophobicContact CD1-CD1 4.47Å; F86-Y94 WeakPolarHBondContact O-CE1 3.27Å; F86-A154 HydrophobicContact CE2-CB 4.27Å; F86-L158 HydrophobicContact CB-CD2 4.48Å; F86-L158 HydrophobicContact CD1-CD1 3.78Å; F86-L158 HydrophobicContact CD2-CD1 3.88Å; F86-L158 HydrophobicContact CD2-CD2 4.4Å; F86-L158 HydrophobicContact CD2-CG 4.29Å; F86-L158 HydrophobicContact CE1-CD1 3.67Å; F86-L158 HydrophobicContact CE2-CD1 3.76Å; F86-L158 HydrophobicContact CE2-CG 4.34Å; F86-L158 HydrophobicContact CG-CD1 3.89Å; F86-L158 HydrophobicContact CG-CD2 4.42Å; F86-L158 HydrophobicContact CZ-CD1 3.65Å
87T98.6Very high98.5Very high90 Ų9044.4 Ų44.455%0.55225%0.246SC*.Hα-helixtrans-68.4-46.7177.5-53.80000111.9D83 V85 G89 H90D83-T87 WeakPolarHBondContact O-CB 3.41Å; D83-T87 PolarHBondContact O-OG1 3.34Å; V85-T87 VanDerWaalsContact C-N 3.33Å; T87-G89 PolarHBondContact O-N 3.44Å; T87-H90 WeakPolarHBondContact O-CB 3.46Å; T87-H90 PolarHBondContact O-N 3.44Å; T87-H90 VanDerWaalsContact O-N 3.1Å
88E98.6Very high98.6Very high95 Ų9545.1 Ų45.144%0.44425%0.254SS..Hα-helixtrans-60.5-30.8174.7-177.766.1-167.200111.4V50 K51 V54 D84 H90V50-E88 HydrophobicContact CB-CG 4.47Å; V50-E88 HydrophobicContact CG1-CB 3.49Å; V50-E88 VanDerWaalsContact CG1-CB 3.49Å; V50-E88 HydrophobicContact CG1-CG 3.79Å; K51-E88 WeakPolarHBondContact CE-OE1 3.32Å; K51-E88 HydrophobicContact CG-CG 4.25Å; V54-E88 HydrophobicContact CG2-CB 4.22Å; V54-E88 HydrophobicContact CG2-CG 4.17Å; D84-E88 VanDerWaalsContact O-CB 3.29Å; D84-E88 WeakPolarHBondContact O-CB 3.45Å; D84-E88 PolarHBondContact O-N 3Å; E88-H90 PolarHBondContact O-N 2.9Å; E88-H90 VanDerWaalsContact O-N 3.09Å
89G98.7Very high98.5Very high0 Ų050.1 Ų50.10%027%0.273CS..THydrogen-bonded Turntrans-69.67.4174.800000115.5V85 F86 T87 G91 T92 L93V85-G89 PolarHBondContact O-N 2.87Å; F86-G89 PolarHBondContact O-N 3.05Å; T87-G89 PolarHBondContact O-N 3.44Å; G89-G91 PolarHBondContact O-N 3.37Å; G89-T92 PolarHBondContact O-N 3.35Å; G89-T92 PolarHBondContact O-OG1 2.97Å; G89-T92 VanDerWaalsContact O-OG1 3.14Å; G89-L93 PolarHBondContact O-N 3.35Å
90H98.6Very high98.4Very high112 Ų11249.9 Ų49.952%0.51928%0.279SS..BIsolated β-bridgetrans-60.1127.7173.7-175-134.8000111T87 E88 Y94 A95T87-H90 WeakPolarHBondContact O-CB 3.46Å; T87-H90 PolarHBondContact O-N 3.44Å; T87-H90 VanDerWaalsContact O-N 3.1Å; E88-H90 PolarHBondContact O-N 2.9Å; E88-H90 VanDerWaalsContact O-N 3.09Å; H90-Y94 HydrophobicContact CB-CE1 3.79Å; H90-Y94 AromaticContact CD2-CE2 3.58Å; H90-Y94 AromaticContact CD2-CZ 3.64Å; H90-Y94 PolarHBondContact CD2-O 3.48Å; H90-Y94 AromaticContact CG-CZ 3.94Å; H90-A95 PolarHBondContact NE2-O 3.38Å
91G98.3Very high98.2Very high51 Ų5157.3 Ų57.353%0.52631%0.305SS..THydrogen-bonded Turntrans90.5-10.5-174.400000114.8G89 Y94 L113G89-G91 PolarHBondContact O-N 3.37Å; G91-Y94 PolarHBondContact N-O 2.89Å; G91-L113 WeakPolarHBondContact O-CD1 3.37Å
92T98.3Very high98.1Very high57 Ų5767.1 Ų67.135%0.3535%0.347SS..THydrogen-bonded Turntrans-125.5-48.4176.956.80000113.2V54 G89 L113V54-T92 WeakPolarHBondContact CG1-OG1 3.42Å; G89-T92 PolarHBondContact O-N 3.35Å; G89-T92 PolarHBondContact O-OG1 2.97Å; G89-T92 VanDerWaalsContact O-OG1 3.14Å; T92-L113 VanDerWaalsContact O-CB 3.28Å; T92-L113 WeakPolarHBondContact O-CB 3.28Å
93L98.8Very high97.9Very high0 Ų070.2 Ų70.20%036%0.364CS..THydrogen-bonded Turntrans-85.8-34.4175.9-57.8-175.1000112V54 F57 L58 V85 F86 G89 L113 V114 L158V54-L93 HydrophobicContact CG1-CD1 4.44Å; V54-L93 HydrophobicContact CG1-CD2 4.43Å; V54-L93 HydrophobicContact CG1-CG 4.21Å; V54-L93 HydrophobicContact CG2-CD1 4.43Å; F57-L93 HydrophobicContact CB-CD1 4.27Å; F57-L93 HydrophobicContact CB-CD2 3.76Å; F57-L93 HydrophobicContact CG-CD1 4.49Å; L58-L93 HydrophobicContact CD2-CD2 3.92Å; L58-L93 HydrophobicContact CG-CD2 4.16Å; V85-L93 HydrophobicContact CG1-CD1 4.49Å; F86-L93 HydrophobicContact CD1-CD1 4.47Å; G89-L93 PolarHBondContact O-N 3.35Å; L93-L113 PolarHBondContact O-N 3.38Å; L93-V114 HydrophobicContact CD2-CG1 4.06Å; L93-L158 HydrophobicContact CB-CD1 4.4Å; L93-L158 HydrophobicContact CB-CD2 4.15Å; L93-L158 HydrophobicContact CD1-CD1 4.46Å
94Y98.8Very high97.6Very high46 Ų4670.2 Ų70.218%0.1837%0.368CS..BIsolated β-bridgetrans-149.9150.3173.777.1-74.5000111F86 H90 G91 F157 L158F86-Y94 WeakPolarHBondContact O-CE1 3.27Å; H90-Y94 HydrophobicContact CB-CE1 3.79Å; H90-Y94 AromaticContact CD2-CE2 3.58Å; H90-Y94 AromaticContact CD2-CZ 3.64Å; H90-Y94 PolarHBondContact CD2-O 3.48Å; H90-Y94 AromaticContact CG-CZ 3.94Å; G91-Y94 PolarHBondContact N-O 2.89Å; Y94-F157 HydrophobicContact CD2-CD1 4.44Å; Y94-F157 AromaticContact CD2-CE1 3.64Å; Y94-F157 HydrophobicContact CD2-CE1 3.64Å; Y94-F157 HydrophobicContact CE2-CE1 4.06Å; Y94-F157 HydrophobicContact CG-CE1 4.13Å; Y94-L158 HydrophobicContact CD1-CD2 4.02Å; Y94-L158 HydrophobicContact CG-CD2 4.3Å
95A98.4Very high97.5Very high48 Ų4872.1 Ų72.140%0.39739%0.385SS..SBendtrans-96.8-37.6177.900000112.5H90 G111 L113H90-A95 PolarHBondContact NE2-O 3.38Å; A95-G111 PolarHBondContact N-O 2.94Å; A95-L113 HydrophobicContact CB-CD1 4.01Å; A95-L113 HydrophobicContact CB-CD2 4.01Å; A95-L113 HydrophobicContact CB-CG 4.01Å
96S98.2Very high97.4Very high50 Ų5078 Ų7835%0.3541%0.411SS..SBendtrans-163.5-174.8-174.466.10000111.5G98 G111S96-G98 PolarHBondContact O-N 3.15Å; S96-G98 PolarHBondContact OG-N 2.97Å; S96-G111 PolarHBondContact N-O 3Å; S96-G111 CarbonylContact O-C 3.51Å; S96-G111 VanDerWaalsContact O-CA 3.3Å; S96-G111 WeakPolarHBondContact O-CA 3.46Å
97D98.2Very high97.3Very high43 Ų4384.5 Ų84.523%0.2344%0.439CS..  trans-770.616872.21.3000113.8R99 K107 Y108 G109 F157D97-R99 VanDerWaalsContact C-N 3.26Å; D97-R99 PolarHBondContact O-N 2.75Å; D97-R99 VanDerWaalsContact OD1-CB 3.31Å; D97-R99 WeakPolarHBondContact OD1-CB 3.3Å; D97-R99 WeakPolarHBondContact OD1-CG 3.48Å; D97-R99 PolarHBondContact OD1-N 3.16Å; D97-R99 IonicContact OD1-NE 2.8Å; D97-R99 IonicContact OD2-CZ 2.63Å; D97-R99 VanDerWaalsContact OD2-CZ 3.22Å; D97-R99 IonicContact OD2-NE 3.22Å; D97-R99 PolarHBondContact OD2-NE 3.25Å; D97-R99 IonicContact OD2-NH2 3.85Å; D97-R99 PolarHBondContact OD2-NH2 3.14Å; D97-K107 VanDerWaalsContact O-O 3.12Å; D97-Y108 HydrophobicContact CB-CD2 3.88Å; D97-Y108 HydrophobicContact CB-CE2 3.89Å; D97-Y108 CarbonylContact O-C 3.47Å; D97-Y108 VanDerWaalsContact O-CA 3.31Å; D97-Y108 WeakPolarHBondContact O-CA 3.32Å; D97-G109 PolarHBondContact O-N 3.42Å; D97-F157 HydrophobicContact CB-CE2 4.06Å; D97-F157 HydrophobicContact CB-CZ 3.9Å
98G98Very high97.3Very high18 Ų1888 Ų8819%0.18644%0.443CS..SBendtrans81.9-6.1-179.900000114.8S96 K107S96-G98 PolarHBondContact O-N 3.15Å; S96-G98 PolarHBondContact OG-N 2.97Å; G98-K107 WeakPolarHBondContact O-CB 3.43Å
99R97.7Very high97.2Very high105 Ų10584.7 Ų84.740%0.39643%0.434SS..  trans-86.5161.5-179.2-52.3-166.6-74.6169.8-6.9111.7D97 P104 K106D97-R99 VanDerWaalsContact C-N 3.26Å; D97-R99 PolarHBondContact O-N 2.75Å; D97-R99 VanDerWaalsContact OD1-CB 3.31Å; D97-R99 WeakPolarHBondContact OD1-CB 3.3Å; D97-R99 WeakPolarHBondContact OD1-CG 3.48Å; D97-R99 PolarHBondContact OD1-N 3.16Å; D97-R99 IonicContact OD1-NE 2.8Å; D97-R99 IonicContact OD2-CZ 2.63Å; D97-R99 VanDerWaalsContact OD2-CZ 3.22Å; D97-R99 IonicContact OD2-NE 3.22Å; D97-R99 PolarHBondContact OD2-NE 3.25Å; D97-R99 IonicContact OD2-NH2 3.85Å; D97-R99 PolarHBondContact OD2-NH2 3.14Å; R99-P104 WeakPolarHBondContact CD-O 3.23Å; R99-P104 PolarHBondContact NH1-O 2.78Å; R99-P104 VanDerWaalsContact NH1-O 3.07Å; R99-K106 WeakPolarHBondContact CG-O 3.31Å
100T96.1Very high97.2Very high88 Ų8887.9 Ų87.954%0.5446%0.457SS..BIsolated β-bridgetrans-121.4152.4170.275.10000110.1K102 D103T100-K102 PolarHBondContact O-N 2.93Å; T100-D103 CarbonylContact O-C 3.16Å; T100-D103 PolarHBondContact O-N 2.69Å
101R95.1Very high97.2Very high250 Ų25082.9 Ų82.994%0.94344%0.436SS*.THydrogen-bonded Turntrans-65.1-17.8176-68.6-174.7177.7-178.9-0.5113.7
102K94.9Very high97.2Very high207 Ų20780.8 Ų80.890%0.941%0.414SS*.THydrogen-bonded Turntrans-73.5-33.2177.5-66.3-175.4-179.8-178.90112.4T100T100-K102 PolarHBondContact O-N 2.93Å
103D94.6Very high97.3Very high72 Ų7281.8 Ų81.839%0.38542%0.417SS..BIsolated β-bridgetrans-14288.4170.8-176.7-0.4000109.8T100 S105 K106T100-D103 CarbonylContact O-C 3.16Å; T100-D103 PolarHBondContact O-N 2.69Å; D103-S105 PolarHBondContact O-N 3.28Å; D103-S105 PolarHBondContact OD1-N 2.89Å; D103-S105 PolarHBondContact OD1-OG 3.29Å; D103-K106 WeakPolarHBondContact OD2-CG 3.25Å
104P94.1Very high97.3Very high77 Ų7782.2 Ų82.250%0.542%0.419SS..THydrogen-bonded Turntrans-75.5-3.3-175.730.9-36000113.9R99R99-P104 WeakPolarHBondContact CD-O 3.23Å; R99-P104 PolarHBondContact NH1-O 2.78Å; R99-P104 VanDerWaalsContact NH1-O 3.07Å
105S96.2Very high97.2Very high88 Ų8885.4 Ų85.462%0.61544%0.436SS*.THydrogen-bonded Turntrans-89.4-9.6-174.6760000114.2D103D103-S105 PolarHBondContact O-N 3.28Å; D103-S105 PolarHBondContact OD1-N 2.89Å; D103-S105 PolarHBondContact OD1-OG 3.29Å
106K96Very high97.2Very high124 Ų12486.1 Ų86.154%0.53945%0.448SS..SBendtrans-121.9160.8-172.6-56.5-62.6179.4179.20111.3R99 D103 Y108R99-K106 WeakPolarHBondContact CG-O 3.31Å; D103-K106 WeakPolarHBondContact OD2-CG 3.25Å; K106-Y108 VanDerWaalsContact C-N 3.33Å; K106-Y108 PolarHBondContact O-N 3.04Å
107K96.4Very high97.2Very high153 Ų15385.1 Ų85.167%0.66544%0.437SS*.  trans70.511.4166.2-56.2-64.7-174.31750117.1D97 G98 G109 S110D97-K107 VanDerWaalsContact O-O 3.12Å; G98-K107 WeakPolarHBondContact O-CB 3.43Å; K107-G109 PolarHBondContact O-N 3.13Å; K107-G109 VanDerWaalsContact O-N 3.16Å; K107-S110 WeakPolarHBondContact O-CB 3.33Å; K107-S110 PolarHBondContact O-N 3.2Å; K107-S110 PolarHBondContact O-OG 3.11Å; K107-S110 VanDerWaalsContact O-OG 3.08Å
108Y98.3Very high97.3Very high164 Ų16487.2 Ų87.264%0.64344%0.444SS*.THydrogen-bonded Turntrans-54.2124.6170.7-174.5-94.6000110.5D97 K106 F157D97-Y108 HydrophobicContact CB-CD2 3.88Å; D97-Y108 HydrophobicContact CB-CE2 3.89Å; D97-Y108 CarbonylContact O-C 3.47Å; D97-Y108 VanDerWaalsContact O-CA 3.31Å; D97-Y108 WeakPolarHBondContact O-CA 3.32Å; K106-Y108 VanDerWaalsContact C-N 3.33Å; K106-Y108 PolarHBondContact O-N 3.04Å; Y108-F157 HydrophobicContact CE1-CD2 4.36Å; Y108-F157 HydrophobicContact CE1-CE2 4.2Å; Y108-F157 HydrophobicContact CE2-CE2 4.18Å; Y108-F157 AromaticContact CZ-CE2 3.88Å
109G98.3Very high97.3Very high25 Ų2586.4 Ų86.426%0.25844%0.436SS..THydrogen-bonded Turntrans92.57.1-177.200000115.6D97 K107D97-G109 PolarHBondContact O-N 3.42Å; K107-G109 PolarHBondContact O-N 3.13Å; K107-G109 VanDerWaalsContact O-N 3.16Å
110S98.3Very high97.4Very high67 Ų6781.4 Ų81.447%0.46942%0.417SS..  trans-101.315.5179.180.80000114.6K107K107-S110 WeakPolarHBondContact O-CB 3.33Å; K107-S110 PolarHBondContact O-N 3.2Å; K107-S110 PolarHBondContact O-OG 3.11Å; K107-S110 VanDerWaalsContact O-OG 3.08Å
111G98.5Very high97.5Very high8 Ų877.2 Ų77.28%0.08239%0.391CS..  trans-103.612.8-174.500000115A95 S96A95-G111 PolarHBondContact N-O 2.94Å; S96-G111 PolarHBondContact N-O 3Å; S96-G111 CarbonylContact O-C 3.51Å; S96-G111 VanDerWaalsContact O-CA 3.3Å; S96-G111 WeakPolarHBondContact O-CA 3.46Å
112G98.6Very high97.7Very high6 Ų665.3 Ų65.36%0.06235%0.346CS..BIsolated β-bridgetrans-58.8161.7172.700000113.5Q115 F157 L158G112-Q115 PolarHBondContact O-NE2 2.95Å; G112-F157 WeakPolarHBondContact CA-O 3.35Å; G112-F157 PolarHBondContact N-O 3.13Å; G112-L158 CarbonylContact C-O 3.5Å; G112-L158 VanDerWaalsContact CA-C 3.42Å; G112-L158 WeakPolarHBondContact CA-O 3.45Å
113L98.8Very high97.9Very high79 Ų7955.5 Ų55.541%0.41430%0.304SS..SBendtrans-123.1-4.5178.6-70.7174.2000113.4G91 T92 L93 A95 Q115 L158G91-L113 WeakPolarHBondContact O-CD1 3.37Å; T92-L113 VanDerWaalsContact O-CB 3.28Å; T92-L113 WeakPolarHBondContact O-CB 3.28Å; L93-L113 PolarHBondContact O-N 3.38Å; A95-L113 HydrophobicContact CB-CD1 4.01Å; A95-L113 HydrophobicContact CB-CD2 4.01Å; A95-L113 HydrophobicContact CB-CG 4.01Å; L113-Q115 VanDerWaalsContact C-OE1 3.28Å; L113-L158 PolarHBondContact N-O 3Å
114V98.7Very high98Very high9 Ų952.4 Ų52.46%0.05529%0.288CS..  trans-114.140.4-175.6-65.80000112.3L58 L93 K117 L158 M160L58-V114 HydrophobicContact CD2-CG1 4.14Å; L93-V114 HydrophobicContact CD2-CG1 4.06Å; V114-K117 HydrophobicContact CB-CD 3.82Å; V114-K117 HydrophobicContact CB-CG 4.3Å; V114-K117 HydrophobicContact CG1-CD 4.29Å; V114-K117 HydrophobicContact CG2-CD 4.49Å; V114-K117 WeakPolarHBondContact O-CB 3.44Å; V114-K117 PolarHBondContact O-N 3.3Å; V114-L158 HydrophobicContact CG2-CB 3.76Å; V114-L158 WeakPolarHBondContact CG2-O 3.39Å; V114-L158 PolarHBondContact N-O 2.78Å; V114-M160 HydrophobicContact CG2-CG 3.83Å; V114-M160 HydrophobicContact CG2-SD 4.48Å
115Q98.6Very high98.2Very high113 Ų11349.5 Ų49.553%0.52827%0.267SS..THydrogen-bonded Turntrans-56.4147.2172.4-65.680.27.800111.4G112 L113 K117 G159G112-Q115 PolarHBondContact O-NE2 2.95Å; L113-Q115 VanDerWaalsContact C-OE1 3.28Å; Q115-K117 PolarHBondContact O-N 3.46Å; Q115-G159 WeakPolarHBondContact CA-O 3.25Å
116G97.9Very high98.2Very high63 Ų6348 Ų4865%0.64925%0.252SS*.THydrogen-bonded Turntrans86.5-18.2-176.600000114.2
117K98.8Very high98.3Very high29 Ų2943.1 Ų43.113%0.12624%0.235CC..  trans-75.5150.2168.7-60.6-171-173.5-700110.9F57 L58 A60 D61 V114 Q115 M160 E161F57-K117 VanDerWaalsContact O-CE 3.25Å; F57-K117 WeakPolarHBondContact O-CE 3.45Å; L58-K117 PolarHBondContact O-NZ 3.28Å; A60-K117 WeakPolarHBondContact O-CD 3.43Å; A60-K117 WeakPolarHBondContact O-CE 3.5Å; A60-K117 PolarHBondContact O-NZ 2.89Å; D61-K117 CarbonylContact O-C 3.58Å; D61-K117 WeakPolarHBondContact O-CA 3.46Å; V114-K117 HydrophobicContact CB-CD 3.82Å; V114-K117 HydrophobicContact CB-CG 4.3Å; V114-K117 HydrophobicContact CG1-CD 4.29Å; V114-K117 HydrophobicContact CG2-CD 4.49Å; V114-K117 WeakPolarHBondContact O-CB 3.44Å; V114-K117 PolarHBondContact O-N 3.3Å; Q115-K117 PolarHBondContact O-N 3.46Å; K117-M160 HydrophobicContact CB-CE 4.05Å; K117-M160 HydrophobicContact CB-CG 4.19Å; K117-M160 VanDerWaalsContact O-CA 3.26Å; K117-M160 WeakPolarHBondContact O-CA 3.34Å; K117-E161 PolarHBondContact O-N 2.9Å
118K98.9Very high98.4Very high87 Ų8737.9 Ų37.938%0.37822%0.216SC..EExtended strand (participates in β ladder)trans-117.1162.6179-54-173-178.7-179.30112.1D61 V62 V63 M160 E161 L163D61-K118 PolarHBondContact O-N 2.91Å; V62-K118 CarbonylContact C-O 3.34Å; V62-K118 VanDerWaalsContact CA-O 3.25Å; V62-K118 WeakPolarHBondContact CA-O 3.45Å; V62-K118 HydrophobicContact CG1-CB 4.34Å; V62-K118 HydrophobicContact CG2-CB 4.13Å; V63-K118 PolarHBondContact N-O 3.45Å; K118-M160 WeakPolarHBondContact O-CE 3.38Å; K118-E161 CarbonylContact C-O 3.57Å; K118-E161 WeakPolarHBondContact CA-O 3.4Å; K118-E161 WeakPolarHBondContact CB-O 3.5Å; K118-L163 HydrophobicContact CB-CD1 4.05Å; K118-L163 HydrophobicContact CB-CG 4.03Å; K118-L163 HydrophobicContact CD-CD1 4.33Å; K118-L163 HydrophobicContact CD-CD2 3.65Å; K118-L163 HydrophobicContact CD-CG 4Å
119Y99Very high98.4Very high0 Ų033.9 Ų33.90%020%0.204CC..EExtended strand (participates in β ladder)trans-139.3153.916969.9-78.8000111.4V63 L121 H152 N155 Q156 M160 E161 P162 L163V63-Y119 CarbonylContact O-C 3.59Å; V63-Y119 WeakPolarHBondContact O-CA 3.46Å; V63-Y119 WeakPolarHBondContact O-CB 3.45Å; Y119-L121 HydrophobicContact CD2-CD2 4.16Å; Y119-L121 HydrophobicContact CE2-CD2 4.3Å; Y119-H152 AromaticContact CE2-ND1 3.34Å; Y119-H152 VanDerWaalsContact CE2-ND1 3.34Å; Y119-H152 WeakPolarHBondContact CE2-ND1 3.35Å; Y119-H152 AromaticContact CZ-ND1 3.5Å; Y119-H152 WeakPolarHBondContact OH-CA 3.42Å; Y119-H152 VanDerWaalsContact OH-CB 3.27Å; Y119-H152 WeakPolarHBondContact OH-CB 3.32Å; Y119-H152 PolarHBondContact OH-ND1 2.84Å; Y119-H152 PolarHBondContact OH-O 3.04Å; Y119-H152 VanDerWaalsContact OH-O 3.05Å; Y119-N155 HydrophobicContact CD1-CB 3.61Å; Y119-N155 HydrophobicContact CD2-CB 4Å; Y119-N155 HydrophobicContact CE1-CB 3.51Å; Y119-N155 HydrophobicContact CE2-CB 3.93Å; Y119-N155 HydrophobicContact CG-CB 3.85Å; Y119-Q156 HydrophobicContact CE1-CG 4.22Å; Y119-Q156 PolarHBondContact OH-NE2 2.86Å; Y119-M160 HydrophobicContact CD1-CB 3.77Å; Y119-M160 HydrophobicContact CE1-CB 4.29Å; Y119-E161 WeakPolarHBondContact CD1-O 3.42Å; Y119-E161 PolarHBondContact N-O 3.17Å; Y119-P162 HydrophobicContact CE1-CB 4.02Å; Y119-P162 HydrophobicContact CE2-CB 4.23Å; Y119-P162 CarbonylContact O-C 3.49Å; Y119-P162 WeakPolarHBondContact O-CA 3.43Å; Y119-L163 PolarHBondContact O-N 2.84Å
120M98.9Very high98.4Very high0 Ų036.9 Ų36.90%021%0.211CC..EExtended strand (participates in β ladder)trans-130141.7177.6-166.9179.872.900109.6V63 I64 W65 L163 P164 Y184 L188 I191 F192V63-M120 PolarHBondContact O-N 3.32Å; I64-M120 HydrophobicContact CD1-CE 3.88Å; I64-M120 HydrophobicContact CG1-CB 4.29Å; I64-M120 HydrophobicContact CG1-CE 4.03Å; I64-M120 HydrophobicContact CG2-CE 3.81Å; W65-M120 PolarHBondContact N-O 2.89Å; M120-L163 HydrophobicContact CB-CB 4Å; M120-L163 HydrophobicContact CB-CD1 4.34Å; M120-L163 HydrophobicContact CG-CB 4.07Å; M120-P164 WeakPolarHBondContact CG-O 3.39Å; M120-Y184 HydrophobicContact CE-CE2 3.88Å; M120-L188 HydrophobicContact CE-CD2 3.85Å; M120-I191 HydrophobicContact SD-CD1 3.64Å; M120-F192 HydrophobicContact SD-CE2 4.39Å
121L98.9Very high98.4Very high1 Ų134 Ų341%0.00519%0.192CC..EExtended strand (participates in β ladder)trans-96131.2168.7-52.3-171.2000109.1W65 M67 Y119 L123 Y148 F151 H152 T165 F166W65-L121 HydrophobicContact CB-CD2 3.94Å; W65-L121 HydrophobicContact CG-CD2 4.14Å; M67-L121 HydrophobicContact CE-CD2 4.16Å; Y119-L121 HydrophobicContact CD2-CD2 4.16Å; Y119-L121 HydrophobicContact CE2-CD2 4.3Å; L121-L123 HydrophobicContact CB-CD1 4.24Å; L121-L123 HydrophobicContact CB-CD2 4.17Å; L121-L123 HydrophobicContact CB-CG 4.07Å; L121-Y148 HydrophobicContact CD1-CD1 4.02Å; L121-Y148 HydrophobicContact CD1-CG 3.95Å; L121-F151 HydrophobicContact CD1-CD1 4.36Å; L121-F151 HydrophobicContact CD2-CD1 3.65Å; L121-F151 HydrophobicContact CD2-CE1 3.65Å; L121-H152 WeakPolarHBondContact CD1-NE2 3.39Å; L121-T165 HydrophobicContact CB-CG2 4.04Å; L121-T165 WeakPolarHBondContact O-CA 3.16Å; L121-F166 PolarHBondContact O-N 2.75Å
122S98.9Very high98.4Very high0 Ų033.7 Ų33.70%019%0.188CC..EExtended strand (participates in β ladder)trans-122.9109.6170.2179.10000108.5W65 Q66 M67 F166 Y184W65-S122 PolarHBondContact O-N 2.98Å; W65-S122 VanDerWaalsContact O-O 3.06Å; Q66-S122 CarbonylContact C-O 3.37Å; Q66-S122 WeakPolarHBondContact CA-O 3.34Å; Q66-S122 PolarHBondContact NE2-O 2.81Å; Q66-S122 PolarHBondContact OE1-OG 2.59Å; M67-S122 PolarHBondContact N-O 2.8Å; S122-F166 WeakPolarHBondContact CA-O 3.36Å; S122-F166 WeakPolarHBondContact OG-CD1 3.37Å; S122-Y184 WeakPolarHBondContact CB-OH 3.49Å; S122-Y184 PolarHBondContact OG-OH 3.32Å
123L98.7Very high98.4Very high0 Ų037.2 Ų37.20%021%0.209CC..EExtended strand (participates in β ladder)trans-119.2144.3-161.7-55.9174.2000111.8M67 L121 V144 Y148 T165 F166 I167 A168M67-L123 HydrophobicContact CE-CD2 3.65Å; M67-L123 HydrophobicContact CG-CD2 3.71Å; M67-L123 WeakPolarHBondContact O-CA 3.4Å; L121-L123 HydrophobicContact CB-CD1 4.24Å; L121-L123 HydrophobicContact CB-CD2 4.17Å; L121-L123 HydrophobicContact CB-CG 4.07Å; L123-V144 HydrophobicContact CD1-CG2 3.52Å; L123-Y148 HydrophobicContact CD1-CD2 3.69Å; L123-Y148 HydrophobicContact CD1-CE1 4.32Å; L123-Y148 HydrophobicContact CD1-CE2 3.38Å; L123-Y148 HydrophobicContact CD1-CG 4.28Å; L123-Y148 HydrophobicContact CD2-CE1 3.87Å; L123-Y148 HydrophobicContact CD2-CE2 4.27Å; L123-Y148 HydrophobicContact CG-CE2 4.41Å; L123-T165 HydrophobicContact CD1-CG2 3.84Å; L123-T165 HydrophobicContact CG-CG2 4.39Å; L123-F166 PolarHBondContact N-O 3.34Å; L123-I167 HydrophobicContact CB-CB 4.25Å; L123-I167 HydrophobicContact CB-CD1 4.43Å; L123-I167 HydrophobicContact CB-CG1 4.07Å; L123-I167 CarbonylContact O-C 3.59Å; L123-I167 WeakPolarHBondContact O-CA 3.48Å; L123-A168 PolarHBondContact O-N 3.31Å
124T98.2Very high98.4Very high8 Ų837.5 Ų37.55%0.04921%0.208CC..EExtended strand (participates in β ladder)trans-120.5121.9171.568.10000110.6L20 N21 L24 M67 P68 G69L20-T124 HydrophobicContact CD2-CG2 3.75Å; L20-T124 HydrophobicContact CG-CG2 3.93Å; N21-T124 PolarHBondContact ND2-OG1 2.95Å; L24-T124 HydrophobicContact CD1-CG2 3.65Å; M67-T124 PolarHBondContact O-N 3.2Å; P68-T124 VanDerWaalsContact CA-OG1 3.32Å; P68-T124 WeakPolarHBondContact CA-OG1 3.32Å; G69-T124 PolarHBondContact N-O 3.08Å
125W97.6Very high98.3Very high16 Ų1645.3 Ų45.36%0.06124%0.241CC..  trans-132.2143.8-174.1-84.675.8000112.1M72 A127 F132 F139 V147 Y148 I167 A168 N169 D170 V171M72-W125 HydrophobicContact CB-CH2 4.3Å; M72-W125 HydrophobicContact SD-CH2 4.2Å; M72-W125 HydrophobicContact SD-CZ3 4.14Å; W125-A127 HydrophobicContact CE3-CB 3.8Å; W125-A127 HydrophobicContact CZ3-CB 4.34Å; W125-F132 HydrophobicContact CD2-CE1 4.45Å; W125-F132 AromaticContact CD2-CZ 3.66Å; W125-F132 HydrophobicContact CD2-CZ 3.66Å; W125-F132 HydrophobicContact CE3-CE1 4.47Å; W125-F132 HydrophobicContact CE3-CE2 4.49Å; W125-F132 AromaticContact CE3-CZ 3.64Å; W125-F132 HydrophobicContact CE3-CZ 3.64Å; W125-F132 HydrophobicContact CG-CZ 4.08Å; W125-F132 HydrophobicContact CH2-CE1 4.17Å; W125-F132 HydrophobicContact CH2-CZ 4.14Å; W125-F132 HydrophobicContact CZ2-CE1 4.28Å; W125-F132 HydrophobicContact CZ2-CZ 4.28Å; W125-F132 HydrophobicContact CZ3-CE1 4.33Å; W125-F132 AromaticContact CZ3-CZ 3.88Å; W125-F132 HydrophobicContact CZ3-CZ 3.88Å; W125-F139 HydrophobicContact CH2-CE2 4.35Å; W125-F139 AromaticContact CH2-CZ 3.78Å; W125-F139 HydrophobicContact CH2-CZ 3.78Å; W125-F139 HydrophobicContact CZ3-CE2 4.12Å; W125-F139 AromaticContact CZ3-CZ 3.79Å; W125-F139 HydrophobicContact CZ3-CZ 3.79Å; W125-V147 HydrophobicContact CH2-CG1 4.12Å; W125-V147 HydrophobicContact CZ2-CG1 4.21Å; W125-Y148 AromaticContact CE2-CE2 3.95Å; W125-Y148 AromaticContact CZ2-CE2 3.68Å; W125-Y148 HydrophobicContact CZ2-CE2 3.68Å; W125-Y148 AromaticContact NE1-CE2 3.63Å; W125-Y148 AromaticContact NE1-CZ 3.75Å; W125-Y148 PolarHBondContact NE1-OH 2.94Å; W125-I167 HydrophobicContact CB-CD1 4.18Å; W125-I167 HydrophobicContact CG-CD1 3.99Å; W125-A168 PolarHBondContact N-O 3.14Å; W125-N169 CarbonylContact O-C 3.57Å; W125-N169 WeakPolarHBondContact O-CA 3.37Å; W125-D170 PolarHBondContact O-N 2.93Å; W125-V171 WeakPolarHBondContact O-CG2 3.45Å; W125-V171 PolarHBondContact O-N 3.09Å
126N96.6Very high98.3Very high56 Ų5646.8 Ų46.830%0.29925%0.253SS..SBendtrans-83.5-15.4167.6-175.258.1000112.7I172 K173N126-I172 HydrophobicContact CB-CB 4.39Å; N126-I172 HydrophobicContact CB-CD1 3.98Å; N126-I172 HydrophobicContact CB-CG1 4.11Å; N126-I172 WeakPolarHBondContact OD1-CB 3.29Å; N126-K173 PolarHBondContact OD1-N 3.29Å
127A97.7Very high98.3Very high22 Ų2246.8 Ų46.818%0.18224%0.236CC..SBendtrans-66.8141.2173.100000109.7W125 A131 F132 N169W125-A127 HydrophobicContact CE3-CB 3.8Å; W125-A127 HydrophobicContact CZ3-CB 4.34Å; A127-A131 HydrophobicContact CB-CB 4.35Å; A127-F132 HydrophobicContact CB-CE2 3.83Å; A127-F132 HydrophobicContact CB-CZ 4.19Å; A127-N169 WeakPolarHBondContact O-CB 3.42Å; A127-N169 PolarHBondContact O-ND2 3.16Å
128P97.8Very high98.3Very high43 Ų4352.1 Ų52.128%0.27926%0.259SS..  trans-66.9160.8171.631.4-36.4000110.3E130 A131 F132 D170P128-E130 VanDerWaalsContact C-N 3.25Å; P128-E130 WeakPolarHBondContact CB-OE2 3.48Å; P128-E130 PolarHBondContact O-N 3.32Å; P128-A131 HydrophobicContact CG-CB 4.18Å; P128-A131 WeakPolarHBondContact O-CB 3.43Å; P128-A131 PolarHBondContact O-N 3.41Å; P128-F132 WeakPolarHBondContact O-CD2 3.41Å; P128-D170 WeakPolarHBondContact CA-OD2 3.45Å; P128-D170 WeakPolarHBondContact CB-OD2 3.36Å
129M97.8Very high98.3Very high79 Ų7949.1 Ų49.139%0.38925%0.246SC..THydrogen-bonded Turntrans-61.2-38.2-179.9175.560.874.600111.4A131 F132 T133 I167 N169M129-A131 PolarHBondContact O-N 3.48Å; M129-F132 WeakPolarHBondContact O-CB 3.48Å; M129-F132 PolarHBondContact O-N 2.96Å; M129-T133 HydrophobicContact CG-CG2 4.31Å; M129-T133 PolarHBondContact O-N 3.14Å; M129-T133 PolarHBondContact O-OG1 3.48Å; M129-T133 HydrophobicContact SD-CG2 4.03Å; M129-I167 HydrophobicContact CE-CG2 3.61Å; M129-N169 WeakPolarHBondContact CE-OD1 3.3Å
130E98.4Very high98.3Very high88 Ų8855.8 Ų55.841%0.41128%0.277SS..Hα-helixtrans-58.6-30.5-179-65.179.1-177.900112.2P128 F132 T133 E134P128-E130 VanDerWaalsContact C-N 3.25Å; P128-E130 WeakPolarHBondContact CB-OE2 3.48Å; P128-E130 PolarHBondContact O-N 3.32Å; E130-F132 PolarHBondContact O-N 2.98Å; E130-T133 WeakPolarHBondContact CA-OG1 3.44Å; E130-T133 PolarHBondContact O-N 3.06Å; E130-E134 HydrophobicContact CB-CG 4.01Å; E130-E134 HydrophobicContact CG-CG 4.45Å; E130-E134 WeakPolarHBondContact O-CB 3.41Å; E130-E134 PolarHBondContact O-N 3.44Å
131A98.6Very high98.2Very high8 Ų857.2 Ų57.27%0.06629%0.292CS..Hα-helixtrans-60.5-28.917600000112.7A127 P128 M129 F139A127-A131 HydrophobicContact CB-CB 4.35Å; P128-A131 HydrophobicContact CG-CB 4.18Å; P128-A131 WeakPolarHBondContact O-CB 3.43Å; P128-A131 PolarHBondContact O-N 3.41Å; M129-A131 PolarHBondContact O-N 3.48Å; A131-F139 HydrophobicContact CB-CD2 4.38Å; A131-F139 WeakPolarHBondContact O-CB 3.26Å; A131-F139 VanDerWaalsContact O-CD2 3.26Å; A131-F139 WeakPolarHBondContact O-CD2 3.49Å; A131-F139 PolarHBondContact O-N 3.43Å
132F98.6Very high98.2Very high1 Ų161.2 Ų61.20%0.00432%0.316CS..Hα-helixtrans-89-31.3179.3-60-91.8000112.8W125 A127 P128 M129 E130 F139 G141 G143 V144 V147 I167 N169W125-F132 HydrophobicContact CD2-CE1 4.45Å; W125-F132 AromaticContact CD2-CZ 3.66Å; W125-F132 HydrophobicContact CD2-CZ 3.66Å; W125-F132 HydrophobicContact CE3-CE1 4.47Å; W125-F132 HydrophobicContact CE3-CE2 4.49Å; W125-F132 AromaticContact CE3-CZ 3.64Å; W125-F132 HydrophobicContact CE3-CZ 3.64Å; W125-F132 HydrophobicContact CG-CZ 4.08Å; W125-F132 HydrophobicContact CH2-CE1 4.17Å; W125-F132 HydrophobicContact CH2-CZ 4.14Å; W125-F132 HydrophobicContact CZ2-CE1 4.28Å; W125-F132 HydrophobicContact CZ2-CZ 4.28Å; W125-F132 HydrophobicContact CZ3-CE1 4.33Å; W125-F132 AromaticContact CZ3-CZ 3.88Å; W125-F132 HydrophobicContact CZ3-CZ 3.88Å; A127-F132 HydrophobicContact CB-CE2 3.83Å; A127-F132 HydrophobicContact CB-CZ 4.19Å; P128-F132 WeakPolarHBondContact O-CD2 3.41Å; M129-F132 WeakPolarHBondContact O-CB 3.48Å; M129-F132 PolarHBondContact O-N 2.96Å; E130-F132 PolarHBondContact O-N 2.98Å; F132-F139 AromaticContact CD1-CD2 3.59Å; F132-F139 HydrophobicContact CD1-CD2 3.59Å; F132-F139 AromaticContact CD1-CE2 3.77Å; F132-F139 HydrophobicContact CD1-CE2 3.77Å; F132-F139 HydrophobicContact CD1-CG 4.43Å; F132-F139 HydrophobicContact CD2-CD2 4.5Å; F132-F139 AromaticContact CE1-CD2 3.84Å; F132-F139 HydrophobicContact CE1-CD2 3.84Å; F132-F139 AromaticContact CE1-CE2 3.49Å; F132-F139 HydrophobicContact CE1-CE2 3.49Å; F132-F139 VanDerWaalsContact CE1-CE2 3.49Å; F132-F139 HydrophobicContact CE1-CZ 4.21Å; F132-F139 HydrophobicContact CE2-CE2 4.32Å; F132-F139 AromaticContact CG-CD2 3.96Å; F132-F139 HydrophobicContact CG-CD2 3.96Å; F132-F139 HydrophobicContact CG-CE2 4.31Å; F132-F139 HydrophobicContact CZ-CD2 4.4Å; F132-F139 AromaticContact CZ-CE2 3.8Å; F132-F139 HydrophobicContact CZ-CE2 3.8Å; F132-G141 CarbonylContact O-C 3.42Å; F132-G141 WeakPolarHBondContact O-CA 3.5Å; F132-G143 VanDerWaalsContact O-CA 3.3Å; F132-G143 WeakPolarHBondContact O-CA 3.35Å; F132-G143 PolarHBondContact O-N 3.49Å; F132-V144 HydrophobicContact CD1-CB 4.15Å; F132-V144 HydrophobicContact CE1-CG2 4.38Å; F132-V147 HydrophobicContact CD1-CG2 3.86Å; F132-V147 HydrophobicContact CE1-CB 4.45Å; F132-V147 HydrophobicContact CE1-CG2 4.06Å; F132-I167 HydrophobicContact CE1-CD1 4.42Å; F132-I167 HydrophobicContact CE2-CD1 4.03Å; F132-I167 HydrophobicContact CZ-CD1 3.88Å; F132-N169 WeakPolarHBondContact CE2-ND2 3.41Å
133T98.1Very high98.2Very high79 Ų7962.1 Ų62.149%0.48533%0.326SS..Hα-helixtrans-105.7-30-167.256.60000113.8M129 E130M129-T133 HydrophobicContact CG-CG2 4.31Å; M129-T133 PolarHBondContact O-N 3.14Å; M129-T133 PolarHBondContact O-OG1 3.48Å; M129-T133 HydrophobicContact SD-CG2 4.03Å; E130-T133 WeakPolarHBondContact CA-OG1 3.44Å; E130-T133 PolarHBondContact O-N 3.06Å
134E98.5Very high98.2Very high85 Ų8563.1 Ų63.140%0.39733%0.332SS..  trans-81.7134.4178.7-64-172.9169.500111.3E130 D136 Q137 G141E130-E134 HydrophobicContact CB-CG 4.01Å; E130-E134 HydrophobicContact CG-CG 4.45Å; E130-E134 WeakPolarHBondContact O-CB 3.41Å; E130-E134 PolarHBondContact O-N 3.44Å; E134-D136 PolarHBondContact O-N 2.92Å; E134-Q137 HydrophobicContact CB-CB 4.3Å; E134-Q137 HydrophobicContact CB-CG 3.92Å; E134-Q137 PolarHBondContact O-N 3.44Å; E134-Q137 PolarHBondContact OE2-NE2 3.38Å; E134-G141 PolarHBondContact O-N 3.42Å; E134-G141 VanDerWaalsContact O-N 3.13Å
135K98Very high98.2Very high173 Ų17366.3 Ų66.375%0.75235%0.348SS*.THydrogen-bonded Turntrans-74-25-170.2-69.8-175.7179.8178.20114.1H140K135-H140 WeakPolarHBondContact O-CA 3.32Å
136D98.2Very high98.2Very high144 Ų14467 Ų6777%0.7736%0.361SS*.THydrogen-bonded Turntrans-91.8-0.8179.359.7-37000113E134E134-D136 PolarHBondContact O-N 2.92Å
137Q98.4Very high98.3Very high64 Ų6465.5 Ų65.530%0.29935%0.353SS..SBendtrans-94.3178.9174.5-67.3-150.538.300113.3E134 F139 H140E134-Q137 HydrophobicContact CB-CB 4.3Å; E134-Q137 HydrophobicContact CB-CG 3.92Å; E134-Q137 PolarHBondContact O-N 3.44Å; E134-Q137 PolarHBondContact OE2-NE2 3.38Å; Q137-F139 VanDerWaalsContact C-N 3.35Å; Q137-F139 PolarHBondContact O-N 2.97Å; Q137-H140 PolarHBondContact O-N 2.9Å
138F98.5Very high98.4Very high141 Ų14164.5 Ų64.562%0.61835%0.345SS*.THydrogen-bonded Turntrans-53.9-40.5-166.3-175.1-110.3000115.1M72 H140M72-F138 HydrophobicContact CE-CE1 4.21Å; M72-F138 HydrophobicContact CE-CZ 4.47Å; M72-F138 HydrophobicContact SD-CE1 4.19Å; F138-H140 VanDerWaalsContact C-N 3.33Å
139F98.6Very high98.4Very high24 Ų2467 Ų6711%0.10536%0.355CS..THydrogen-bonded Turntrans-90.35.9179.6-60.2-60.5000113.4M72 W125 A131 F132 Q137 G141 V142 V147M72-F139 HydrophobicContact SD-CE1 4.37Å; M72-F139 HydrophobicContact SD-CZ 4.09Å; W125-F139 HydrophobicContact CH2-CE2 4.35Å; W125-F139 AromaticContact CH2-CZ 3.78Å; W125-F139 HydrophobicContact CH2-CZ 3.78Å; W125-F139 HydrophobicContact CZ3-CE2 4.12Å; W125-F139 AromaticContact CZ3-CZ 3.79Å; W125-F139 HydrophobicContact CZ3-CZ 3.79Å; A131-F139 HydrophobicContact CB-CD2 4.38Å; A131-F139 WeakPolarHBondContact O-CB 3.26Å; A131-F139 VanDerWaalsContact O-CD2 3.26Å; A131-F139 WeakPolarHBondContact O-CD2 3.49Å; A131-F139 PolarHBondContact O-N 3.43Å; F132-F139 AromaticContact CD1-CD2 3.59Å; F132-F139 HydrophobicContact CD1-CD2 3.59Å; F132-F139 AromaticContact CD1-CE2 3.77Å; F132-F139 HydrophobicContact CD1-CE2 3.77Å; F132-F139 HydrophobicContact CD1-CG 4.43Å; F132-F139 HydrophobicContact CD2-CD2 4.5Å; F132-F139 AromaticContact CE1-CD2 3.84Å; F132-F139 HydrophobicContact CE1-CD2 3.84Å; F132-F139 AromaticContact CE1-CE2 3.49Å; F132-F139 HydrophobicContact CE1-CE2 3.49Å; F132-F139 VanDerWaalsContact CE1-CE2 3.49Å; F132-F139 HydrophobicContact CE1-CZ 4.21Å; F132-F139 HydrophobicContact CE2-CE2 4.32Å; F132-F139 AromaticContact CG-CD2 3.96Å; F132-F139 HydrophobicContact CG-CD2 3.96Å; F132-F139 HydrophobicContact CG-CE2 4.31Å; F132-F139 HydrophobicContact CZ-CD2 4.4Å; F132-F139 AromaticContact CZ-CE2 3.8Å; F132-F139 HydrophobicContact CZ-CE2 3.8Å; Q137-F139 VanDerWaalsContact C-N 3.35Å; Q137-F139 PolarHBondContact O-N 2.97Å; F139-G141 PolarHBondContact O-N 3.28Å; F139-G141 VanDerWaalsContact O-N 3.16Å; F139-V142 HydrophobicContact CB-CG2 4.18Å; F139-V142 WeakPolarHBondContact O-CG1 3.28Å; F139-V142 VanDerWaalsContact O-CG2 3.26Å; F139-V142 WeakPolarHBondContact O-CG2 3.31Å; F139-V142 PolarHBondContact O-N 3.37Å; F139-V147 HydrophobicContact CB-CG2 4.05Å; F139-V147 HydrophobicContact CD1-CG2 3.42Å; F139-V147 VanDerWaalsContact CD1-CG2 3.42Å; F139-V147 HydrophobicContact CD2-CG2 3.96Å; F139-V147 HydrophobicContact CE1-CG1 4.04Å; F139-V147 HydrophobicContact CE1-CG2 3.74Å; F139-V147 HydrophobicContact CE2-CG2 4.25Å; F139-V147 HydrophobicContact CG-CG2 3.55Å; F139-V147 HydrophobicContact CZ-CG1 4.28Å; F139-V147 HydrophobicContact CZ-CG2 4.15Å
140H98.3Very high98.5Very high139 Ų13967.9 Ų67.964%0.64437%0.367SS*.THydrogen-bonded Turntrans5334.7177.6-52.5111.8000114.1K135 Q137 F138 V142K135-H140 WeakPolarHBondContact O-CA 3.32Å; Q137-H140 PolarHBondContact O-N 2.9Å; F138-H140 VanDerWaalsContact C-N 3.33Å; H140-V142 VanDerWaalsContact C-N 3.29Å; H140-V142 PolarHBondContact O-N 3.3Å
141G98.1Very high98.5Very high30 Ų3064.4 Ų64.431%0.30935%0.351SS..THydrogen-bonded Turntrans67.319.6177.100000115.8F132 E134 F139 G143F132-G141 CarbonylContact O-C 3.42Å; F132-G141 WeakPolarHBondContact O-CA 3.5Å; E134-G141 PolarHBondContact O-N 3.42Å; E134-G141 VanDerWaalsContact O-N 3.13Å; F139-G141 PolarHBondContact O-N 3.28Å; F139-G141 VanDerWaalsContact O-N 3.16Å; G141-G143 PolarHBondContact O-N 3.09Å
142V98.4Very high98.5Very high86 Ų8664.6 Ų64.652%0.52135%0.35SS..  trans-72.3-10.4178.3-58.40000113.7F139 H140 V147F139-V142 HydrophobicContact CB-CG2 4.18Å; F139-V142 WeakPolarHBondContact O-CG1 3.28Å; F139-V142 VanDerWaalsContact O-CG2 3.26Å; F139-V142 WeakPolarHBondContact O-CG2 3.31Å; F139-V142 PolarHBondContact O-N 3.37Å; H140-V142 VanDerWaalsContact C-N 3.29Å; H140-V142 PolarHBondContact O-N 3.3Å; V142-V147 HydrophobicContact CG2-CG2 4.19Å
143G98.5Very high98.5Very high19 Ų1970.1 Ų70.120%0.19637%0.374CS..Hα-helixtrans74.6168.4-175.700000113.5F132 G141 D145 G146 V147F132-G143 VanDerWaalsContact O-CA 3.3Å; F132-G143 WeakPolarHBondContact O-CA 3.35Å; F132-G143 PolarHBondContact O-N 3.49Å; G141-G143 PolarHBondContact O-N 3.09Å; G143-D145 VanDerWaalsContact C-N 3.33Å; G143-D145 PolarHBondContact O-N 3.35Å; G143-G146 PolarHBondContact O-N 3.13Å; G143-G146 VanDerWaalsContact O-N 3.14Å; G143-V147 PolarHBondContact O-N 2.89Å; G143-V147 VanDerWaalsContact O-N 3.16Å
144V98.6Very high98.6Very high21 Ų2167.6 Ų67.613%0.12736%0.362CS..Hα-helixtrans-60.3-41.1-179.564.10000112.4L123 F132 G146 V147 Y148 T165 I167L123-V144 HydrophobicContact CD1-CG2 3.52Å; F132-V144 HydrophobicContact CD1-CB 4.15Å; F132-V144 HydrophobicContact CE1-CG2 4.38Å; V144-G146 PolarHBondContact O-N 3.43Å; V144-V147 WeakPolarHBondContact O-CB 3.12Å; V144-V147 PolarHBondContact O-N 2.93Å; V144-V147 VanDerWaalsContact O-N 3.09Å; V144-Y148 HydrophobicContact CG2-CD2 4.03Å; V144-Y148 HydrophobicContact CG2-CE2 4.29Å; V144-Y148 WeakPolarHBondContact O-CD2 3.2Å; V144-Y148 PolarHBondContact O-N 3.32Å; V144-T165 HydrophobicContact CG1-CG2 3.75Å; V144-T165 HydrophobicContact CG2-CG2 4.11Å; V144-I167 HydrophobicContact CB-CD1 4.44Å; V144-I167 HydrophobicContact CG2-CD1 3.78Å
145D98.8Very high98.6Very high74 Ų7463.6 Ų63.640%0.39634%0.343SS..Hα-helixtrans-68.5-26.1179.1-59.7-32.2000112G143 Y148 L149 H152 T165G143-D145 VanDerWaalsContact C-N 3.33Å; G143-D145 PolarHBondContact O-N 3.35Å; D145-Y148 CarbonylContact O-C 3.37Å; D145-L149 WeakPolarHBondContact O-CA 3.3Å; D145-L149 PolarHBondContact O-N 3.31Å; D145-H152 PolarHBondContact O-CD2 2.91Å; D145-H152 IonicContact OD1-CE1 2.81Å; D145-H152 IonicContact OD1-NE2 2.69Å; D145-H152 PolarHBondContact OD1-NE2 2.87Å; D145-H152 VanDerWaalsContact OD1-NE2 3.14Å; D145-T165 VanDerWaalsContact OD1-CB 3.25Å; D145-T165 WeakPolarHBondContact OD1-CB 3.34Å; D145-T165 PolarHBondContact OD1-OG1 3.43Å
146G98.5Very high98.6Very high32 Ų3257.9 Ų57.933%0.3332%0.319SS..Hα-helixtrans-68.7-40.7170.500000112.1G143 V144 Y148 L149G143-G146 PolarHBondContact O-N 3.13Å; G143-G146 VanDerWaalsContact O-N 3.14Å; V144-G146 PolarHBondContact O-N 3.43Å; G146-Y148 VanDerWaalsContact C-N 3.35Å; G146-L149 WeakPolarHBondContact O-CB 3.31Å; G146-L149 PolarHBondContact O-N 2.94Å
147V98.6Very high98.7Very high23 Ų2353 Ų5314%0.13929%0.291CS..Hα-helixtrans-64.7-40173.5177.90000111M72 W125 F132 F139 V142 G143 V144 L149M72-V147 WeakPolarHBondContact O-CG1 3.3Å; W125-V147 HydrophobicContact CH2-CG1 4.12Å; W125-V147 HydrophobicContact CZ2-CG1 4.21Å; F132-V147 HydrophobicContact CD1-CG2 3.86Å; F132-V147 HydrophobicContact CE1-CB 4.45Å; F132-V147 HydrophobicContact CE1-CG2 4.06Å; F139-V147 HydrophobicContact CB-CG2 4.05Å; F139-V147 HydrophobicContact CD1-CG2 3.42Å; F139-V147 VanDerWaalsContact CD1-CG2 3.42Å; F139-V147 HydrophobicContact CD2-CG2 3.96Å; F139-V147 HydrophobicContact CE1-CG1 4.04Å; F139-V147 HydrophobicContact CE1-CG2 3.74Å; F139-V147 HydrophobicContact CE2-CG2 4.25Å; F139-V147 HydrophobicContact CG-CG2 3.55Å; F139-V147 HydrophobicContact CZ-CG1 4.28Å; F139-V147 HydrophobicContact CZ-CG2 4.15Å; V142-V147 HydrophobicContact CG2-CG2 4.19Å; G143-V147 PolarHBondContact O-N 2.89Å; G143-V147 VanDerWaalsContact O-N 3.16Å; V144-V147 WeakPolarHBondContact O-CB 3.12Å; V144-V147 PolarHBondContact O-N 2.93Å; V144-V147 VanDerWaalsContact O-N 3.09Å; V147-L149 VanDerWaalsContact C-N 3.33Å; V147-L149 PolarHBondContact O-N 3.07Å
148Y98.8Very high98.7Very high2 Ų250.1 Ų50.11%0.00828%0.277CS..THydrogen-bonded Turntrans-89.813.3178.5-79.1-95.3000114.3M67 G73 L121 L123 W125 V144 D145 G146 P150 F151 H152M67-Y148 HydrophobicContact CE-CD1 4.05Å; M67-Y148 HydrophobicContact CE-CE1 3.66Å; G73-Y148 PolarHBondContact O-OH 2.94Å; L121-Y148 HydrophobicContact CD1-CD1 4.02Å; L121-Y148 HydrophobicContact CD1-CG 3.95Å; L123-Y148 HydrophobicContact CD1-CD2 3.69Å; L123-Y148 HydrophobicContact CD1-CE1 4.32Å; L123-Y148 HydrophobicContact CD1-CE2 3.38Å; L123-Y148 HydrophobicContact CD1-CG 4.28Å; L123-Y148 HydrophobicContact CD2-CE1 3.87Å; L123-Y148 HydrophobicContact CD2-CE2 4.27Å; L123-Y148 HydrophobicContact CG-CE2 4.41Å; W125-Y148 AromaticContact CE2-CE2 3.95Å; W125-Y148 AromaticContact CZ2-CE2 3.68Å; W125-Y148 HydrophobicContact CZ2-CE2 3.68Å; W125-Y148 AromaticContact NE1-CE2 3.63Å; W125-Y148 AromaticContact NE1-CZ 3.75Å; W125-Y148 PolarHBondContact NE1-OH 2.94Å; V144-Y148 HydrophobicContact CG2-CD2 4.03Å; V144-Y148 HydrophobicContact CG2-CE2 4.29Å; V144-Y148 WeakPolarHBondContact O-CD2 3.2Å; V144-Y148 PolarHBondContact O-N 3.32Å; D145-Y148 CarbonylContact O-C 3.37Å; G146-Y148 VanDerWaalsContact C-N 3.35Å; Y148-P150 VanDerWaalsContact C-CD 3.49Å; Y148-F151 HydrophobicContact CD1-CB 4.06Å; Y148-F151 HydrophobicContact CD1-CG 4.41Å; Y148-F151 WeakPolarHBondContact O-CA 3.16Å; Y148-F151 WeakPolarHBondContact O-CB 3.32Å; Y148-F151 PolarHBondContact O-N 3.44Å; Y148-H152 PolarHBondContact O-CD2 3.39Å; Y148-H152 PolarHBondContact O-N 2.83Å
149L98.8Very high98.7Very high94 Ų9444.2 Ų44.249%0.49226%0.257SS..Hα-helixtrans-45.8-50.3-179.1-179.166.5000113.9D145 G146 V147 F151 H152 K153D145-L149 WeakPolarHBondContact O-CA 3.3Å; D145-L149 PolarHBondContact O-N 3.31Å; G146-L149 WeakPolarHBondContact O-CB 3.31Å; G146-L149 PolarHBondContact O-N 2.94Å; V147-L149 VanDerWaalsContact C-N 3.33Å; V147-L149 PolarHBondContact O-N 3.07Å; L149-F151 VanDerWaalsContact C-N 3.29Å; L149-F151 PolarHBondContact O-N 3.23Å; L149-H152 PolarHBondContact O-N 3.21Å; L149-K153 HydrophobicContact CD1-CG 4.1Å; L149-K153 HydrophobicContact CG-CG 4.38Å; L149-K153 WeakPolarHBondContact O-CB 3.35Å; L149-K153 WeakPolarHBondContact O-CG 3.48Å; L149-K153 PolarHBondContact O-N 2.86Å
150P98.7Very high98.7Very high99 Ų9943.3 Ų43.364%0.64325%0.253SS*.Hα-helixtrans-64.2-33.7179.124.6-34.2000113Y148 K153 A154Y148-P150 VanDerWaalsContact C-CD 3.49Å; P150-K153 PolarHBondContact O-N 2.9Å; P150-A154 PolarHBondContact O-N 3.25Å
151F98.8Very high98.7Very high15 Ų1542.1 Ų42.17%0.06625%0.248CC..Hα-helixtrans-71.1-41.2177.7-161.8-86.7000111.5W65 M67 A74 V78 I82 L121 Y148 L149 K153 A154 N155W65-F151 HydrophobicContact CB-CE1 4.26Å; W65-F151 AromaticContact CD1-CE1 3.79Å; W65-F151 AromaticContact CD2-CE1 3.84Å; W65-F151 HydrophobicContact CD2-CE1 3.84Å; W65-F151 AromaticContact CD2-CZ 3.67Å; W65-F151 HydrophobicContact CD2-CZ 3.67Å; W65-F151 AromaticContact CE2-CE1 4Å; W65-F151 AromaticContact CE2-CZ 3.97Å; W65-F151 HydrophobicContact CE3-CE1 4.48Å; W65-F151 AromaticContact CE3-CZ 3.86Å; W65-F151 HydrophobicContact CE3-CZ 3.86Å; W65-F151 AromaticContact CG-CE1 3.7Å; W65-F151 HydrophobicContact CG-CE1 3.7Å; W65-F151 AromaticContact CG-CZ 3.98Å; W65-F151 HydrophobicContact CG-CZ 3.98Å; W65-F151 HydrophobicContact CZ2-CZ 4.44Å; W65-F151 HydrophobicContact CZ3-CZ 4.33Å; W65-F151 AromaticContact NE1-CE1 3.93Å; M67-F151 HydrophobicContact CE-CD1 3.95Å; M67-F151 HydrophobicContact CE-CD2 4.35Å; M67-F151 HydrophobicContact CE-CE1 3.67Å; M67-F151 HydrophobicContact CE-CE2 4.1Å; M67-F151 HydrophobicContact CE-CG 4.28Å; M67-F151 HydrophobicContact CE-CZ 3.76Å; M67-F151 HydrophobicContact SD-CE2 4.34Å; M67-F151 HydrophobicContact SD-CZ 4.18Å; A74-F151 HydrophobicContact CB-CD2 3.87Å; A74-F151 HydrophobicContact CB-CE2 3.73Å; V78-F151 HydrophobicContact CG1-CE2 3.93Å; V78-F151 HydrophobicContact CG1-CZ 4.01Å; I82-F151 HydrophobicContact CD1-CD2 4.48Å; I82-F151 HydrophobicContact CD1-CE2 4.23Å; I82-F151 HydrophobicContact CG2-CE2 4.49Å; L121-F151 HydrophobicContact CD1-CD1 4.36Å; L121-F151 HydrophobicContact CD2-CD1 3.65Å; L121-F151 HydrophobicContact CD2-CE1 3.65Å; Y148-F151 HydrophobicContact CD1-CB 4.06Å; Y148-F151 HydrophobicContact CD1-CG 4.41Å; Y148-F151 WeakPolarHBondContact O-CA 3.16Å; Y148-F151 WeakPolarHBondContact O-CB 3.32Å; Y148-F151 PolarHBondContact O-N 3.44Å; L149-F151 VanDerWaalsContact C-N 3.29Å; L149-F151 PolarHBondContact O-N 3.23Å; F151-K153 VanDerWaalsContact C-N 3.31Å; F151-K153 PolarHBondContact O-N 2.66Å; F151-A154 PolarHBondContact O-N 3.38Å; F151-N155 PolarHBondContact O-N 2.96Å; F151-N155 PolarHBondContact O-ND2 3.19Å
152H98.9Very high98.8Very high12 Ų1243.7 Ų43.76%0.05625%0.252CS..Hα-helixtrans-58.2-45.2169.9-78.5-68.3000111.5Y119 L121 D145 Y148 L149 A154 N155 Q156Y119-H152 AromaticContact CE2-ND1 3.34Å; Y119-H152 VanDerWaalsContact CE2-ND1 3.34Å; Y119-H152 WeakPolarHBondContact CE2-ND1 3.35Å; Y119-H152 AromaticContact CZ-ND1 3.5Å; Y119-H152 WeakPolarHBondContact OH-CA 3.42Å; Y119-H152 VanDerWaalsContact OH-CB 3.27Å; Y119-H152 WeakPolarHBondContact OH-CB 3.32Å; Y119-H152 PolarHBondContact OH-ND1 2.84Å; Y119-H152 PolarHBondContact OH-O 3.04Å; Y119-H152 VanDerWaalsContact OH-O 3.05Å; L121-H152 WeakPolarHBondContact CD1-NE2 3.39Å; D145-H152 PolarHBondContact O-CD2 2.91Å; D145-H152 IonicContact OD1-CE1 2.81Å; D145-H152 IonicContact OD1-NE2 2.69Å; D145-H152 PolarHBondContact OD1-NE2 2.87Å; D145-H152 VanDerWaalsContact OD1-NE2 3.14Å; Y148-H152 PolarHBondContact O-CD2 3.39Å; Y148-H152 PolarHBondContact O-N 2.83Å; L149-H152 PolarHBondContact O-N 3.21Å; H152-A154 VanDerWaalsContact C-N 3.33Å; H152-A154 PolarHBondContact O-N 2.82Å; H152-N155 PolarHBondContact O-N 3.17Å; H152-Q156 WeakPolarHBondContact O-CB 3.25Å; H152-Q156 VanDerWaalsContact O-CG 3.3Å; H152-Q156 WeakPolarHBondContact O-CG 3.32Å; H152-Q156 PolarHBondContact O-N 3.31Å
153K98.8Very high98.8Very high116 Ų11640.7 Ų40.750%0.50423%0.233SC..Hα-helixtrans-67.6-32-178.2-67.6-68.3166.2-160.50112.9L149 P150 F151 Q156 F157L149-K153 HydrophobicContact CD1-CG 4.1Å; L149-K153 HydrophobicContact CG-CG 4.38Å; L149-K153 WeakPolarHBondContact O-CB 3.35Å; L149-K153 WeakPolarHBondContact O-CG 3.48Å; L149-K153 PolarHBondContact O-N 2.86Å; P150-K153 PolarHBondContact O-N 2.9Å; F151-K153 VanDerWaalsContact C-N 3.31Å; F151-K153 PolarHBondContact O-N 2.66Å; K153-Q156 PolarHBondContact O-N 3.16Å; K153-F157 WeakPolarHBondContact O-CB 3.36Å; K153-F157 PolarHBondContact O-N 3.35Å
154A98.9Very high98.8Very high27 Ų2743.7 Ų43.722%0.22325%0.249CC..Hα-helixtrans-61.8-44.9173.100000112I82 F86 P150 F151 H152 F157I82-A154 HydrophobicContact CD1-CB 4.34Å; F86-A154 HydrophobicContact CE2-CB 4.27Å; P150-A154 PolarHBondContact O-N 3.25Å; F151-A154 PolarHBondContact O-N 3.38Å; H152-A154 VanDerWaalsContact C-N 3.33Å; H152-A154 PolarHBondContact O-N 2.82Å; A154-F157 WeakPolarHBondContact O-CB 3.35Å; A154-F157 PolarHBondContact O-N 3.49Å
155N98.9Very high98.8Very high0 Ų043.7 Ų43.70%025%0.249CC..Hα-helixtrans-69.3-42.2176.1-70.8-94.2000111.7W65 Y119 F151 H152 F157 L158 M160W65-N155 PolarHBondContact NE1-OD1 3.25Å; Y119-N155 HydrophobicContact CD1-CB 3.61Å; Y119-N155 HydrophobicContact CD2-CB 4Å; Y119-N155 HydrophobicContact CE1-CB 3.51Å; Y119-N155 HydrophobicContact CE2-CB 3.93Å; Y119-N155 HydrophobicContact CG-CB 3.85Å; F151-N155 PolarHBondContact O-N 2.96Å; F151-N155 PolarHBondContact O-ND2 3.19Å; H152-N155 PolarHBondContact O-N 3.17Å; N155-F157 PolarHBondContact O-N 3.31Å; N155-L158 WeakPolarHBondContact O-CB 3.2Å; N155-L158 PolarHBondContact O-N 2.89Å; N155-L158 VanDerWaalsContact O-N 3.09Å; N155-M160 PolarHBondContact O-N 2.96Å
156Q98.9Very high98.8Very high54 Ų5440.7 Ų40.725%0.25223%0.233SC..Hα-helixtrans-64.8-27.4177.6-72.2169.97.900112.8Y119 H152 K153 L158 G159 M160Y119-Q156 HydrophobicContact CE1-CG 4.22Å; Y119-Q156 PolarHBondContact OH-NE2 2.86Å; H152-Q156 WeakPolarHBondContact O-CB 3.25Å; H152-Q156 VanDerWaalsContact O-CG 3.3Å; H152-Q156 WeakPolarHBondContact O-CG 3.32Å; H152-Q156 PolarHBondContact O-N 3.31Å; K153-Q156 PolarHBondContact O-N 3.16Å; Q156-L158 PolarHBondContact O-N 3.32Å; Q156-G159 WeakPolarHBondContact O-CA 3.35Å; Q156-G159 PolarHBondContact O-N 3.43Å; Q156-M160 WeakPolarHBondContact CG-O 3.26Å
157F98.9Very high98.8Very high42 Ų4240.1 Ų40.118%0.18422%0.222CC..Hα-helixtrans-61.9-31.3173.7-171.5-87.7000112.1Y94 D97 Y108 G112 K153 A154 N155 G159Y94-F157 HydrophobicContact CD2-CD1 4.44Å; Y94-F157 AromaticContact CD2-CE1 3.64Å; Y94-F157 HydrophobicContact CD2-CE1 3.64Å; Y94-F157 HydrophobicContact CE2-CE1 4.06Å; Y94-F157 HydrophobicContact CG-CE1 4.13Å; D97-F157 HydrophobicContact CB-CE2 4.06Å; D97-F157 HydrophobicContact CB-CZ 3.9Å; Y108-F157 HydrophobicContact CE1-CD2 4.36Å; Y108-F157 HydrophobicContact CE1-CE2 4.2Å; Y108-F157 HydrophobicContact CE2-CE2 4.18Å; Y108-F157 AromaticContact CZ-CE2 3.88Å; G112-F157 WeakPolarHBondContact CA-O 3.35Å; G112-F157 PolarHBondContact N-O 3.13Å; K153-F157 WeakPolarHBondContact O-CB 3.36Å; K153-F157 PolarHBondContact O-N 3.35Å; A154-F157 WeakPolarHBondContact O-CB 3.35Å; A154-F157 PolarHBondContact O-N 3.49Å; N155-F157 PolarHBondContact O-N 3.31Å; F157-G159 PolarHBondContact O-N 2.91Å
158L98.9Very high98.8Very high2 Ų239.1 Ų39.11%0.0122%0.216CC..THydrogen-bonded Turntrans-75.4-10.6172.5-50.2-175.9000112.7F86 L93 Y94 G112 L113 V114 N155 Q156 M160F86-L158 HydrophobicContact CB-CD2 4.48Å; F86-L158 HydrophobicContact CD1-CD1 3.78Å; F86-L158 HydrophobicContact CD2-CD1 3.88Å; F86-L158 HydrophobicContact CD2-CD2 4.4Å; F86-L158 HydrophobicContact CD2-CG 4.29Å; F86-L158 HydrophobicContact CE1-CD1 3.67Å; F86-L158 HydrophobicContact CE2-CD1 3.76Å; F86-L158 HydrophobicContact CE2-CG 4.34Å; F86-L158 HydrophobicContact CG-CD1 3.89Å; F86-L158 HydrophobicContact CG-CD2 4.42Å; F86-L158 HydrophobicContact CZ-CD1 3.65Å; L93-L158 HydrophobicContact CB-CD1 4.4Å; L93-L158 HydrophobicContact CB-CD2 4.15Å; L93-L158 HydrophobicContact CD1-CD1 4.46Å; Y94-L158 HydrophobicContact CD1-CD2 4.02Å; Y94-L158 HydrophobicContact CG-CD2 4.3Å; G112-L158 CarbonylContact C-O 3.5Å; G112-L158 VanDerWaalsContact CA-C 3.42Å; G112-L158 WeakPolarHBondContact CA-O 3.45Å; L113-L158 PolarHBondContact N-O 3Å; V114-L158 HydrophobicContact CG2-CB 3.76Å; V114-L158 WeakPolarHBondContact CG2-O 3.39Å; V114-L158 PolarHBondContact N-O 2.78Å; N155-L158 WeakPolarHBondContact O-CB 3.2Å; N155-L158 PolarHBondContact O-N 2.89Å; N155-L158 VanDerWaalsContact O-N 3.09Å; Q156-L158 PolarHBondContact O-N 3.32Å; L158-M160 HydrophobicContact CB-CG 4.37Å; L158-M160 HydrophobicContact CD1-SD 4.48Å
159G98.7Very high98.8Very high18 Ų1839.8 Ų39.819%0.18622%0.22CC..THydrogen-bonded Turntrans98.55.9-178.300000114.6Q115 Q156 F157Q115-G159 WeakPolarHBondContact CA-O 3.25Å; Q156-G159 WeakPolarHBondContact O-CA 3.35Å; Q156-G159 PolarHBondContact O-N 3.43Å; F157-G159 PolarHBondContact O-N 2.91Å
160M98.9Very high98.7Very high4 Ų436.7 Ų36.72%0.0220%0.203CC..  trans-80.7152.8-177.4-54.4176.970.500112.8V63 V114 K117 K118 Y119 N155 Q156 L158V63-M160 HydrophobicContact CB-CE 4.14Å; V63-M160 HydrophobicContact CG2-CE 3.82Å; V114-M160 HydrophobicContact CG2-CG 3.83Å; V114-M160 HydrophobicContact CG2-SD 4.48Å; K117-M160 HydrophobicContact CB-CE 4.05Å; K117-M160 HydrophobicContact CB-CG 4.19Å; K117-M160 VanDerWaalsContact O-CA 3.26Å; K117-M160 WeakPolarHBondContact O-CA 3.34Å; K118-M160 WeakPolarHBondContact O-CE 3.38Å; Y119-M160 HydrophobicContact CD1-CB 3.77Å; Y119-M160 HydrophobicContact CE1-CB 4.29Å; N155-M160 PolarHBondContact O-N 2.96Å; Q156-M160 WeakPolarHBondContact CG-O 3.26Å; L158-M160 HydrophobicContact CB-CG 4.37Å; L158-M160 HydrophobicContact CD1-SD 4.48Å
161E98.8Very high98.6Very high115 Ų11533.1 Ų33.154%0.53718%0.18SC..EExtended strand (participates in β ladder)trans-106.3138.5178.7-65.6179.7176.300112.4K117 K118 Y119K117-E161 PolarHBondContact O-N 2.9Å; K118-E161 CarbonylContact C-O 3.57Å; K118-E161 WeakPolarHBondContact CA-O 3.4Å; K118-E161 WeakPolarHBondContact CB-O 3.5Å; Y119-E161 WeakPolarHBondContact CD1-O 3.42Å; Y119-E161 PolarHBondContact N-O 3.17Å
162P98.9Very high98.2Very high62 Ų6237.7 Ų37.740%0.40320%0.204SC..EExtended strand (participates in β ladder)trans-73143.6177.530-33000111.9Y119Y119-P162 HydrophobicContact CE1-CB 4.02Å; Y119-P162 HydrophobicContact CE2-CB 4.23Å; Y119-P162 CarbonylContact O-C 3.49Å; Y119-P162 WeakPolarHBondContact O-CA 3.43Å
163L98.9Very high97.9Very high24 Ų2444.8 Ų44.813%0.12624%0.235CC..PPolyproline II helixtrans-94.8161.2159-69.7167.4000109.5V62 K118 Y119 M120 T165 I191 F192V62-L163 HydrophobicContact CG1-CD1 3.63Å; K118-L163 HydrophobicContact CB-CD1 4.05Å; K118-L163 HydrophobicContact CB-CG 4.03Å; K118-L163 HydrophobicContact CD-CD1 4.33Å; K118-L163 HydrophobicContact CD-CD2 3.65Å; K118-L163 HydrophobicContact CD-CG 4Å; Y119-L163 PolarHBondContact O-N 2.84Å; M120-L163 HydrophobicContact CB-CB 4Å; M120-L163 HydrophobicContact CB-CD1 4.34Å; M120-L163 HydrophobicContact CG-CB 4.07Å; L163-T165 PolarHBondContact O-N 2.95Å; L163-I191 HydrophobicContact CD1-CG2 3.84Å; L163-I191 HydrophobicContact CD2-CG2 3.93Å; L163-I191 HydrophobicContact CG-CG2 4.32Å; L163-F192 HydrophobicContact CD1-CE1 4.25Å; L163-F192 HydrophobicContact CD1-CZ 3.86Å
164P98.8Very high97.7Very high81 Ų8145 Ų4553%0.52624%0.238SC..PPolyproline II helixtrans-51.8130.2177.1-27.235.3000112.3M120 H187 I191M120-P164 WeakPolarHBondContact CG-O 3.39Å; P164-H187 PolarHBondContact O-CE1 3.33Å; P164-H187 PolarHBondContact O-NE2 3.02Å; P164-I191 HydrophobicContact CB-CD1 4.27Å; P164-I191 HydrophobicContact CG-CD1 4.32Å
165T98.9Very high97.4Very high22 Ų2248 Ų4814%0.13526%0.256CS..PPolyproline II helixtrans-69.8135.5178.8-71.30000111L121 L123 V144 D145 L163 H187L121-T165 HydrophobicContact CB-CG2 4.04Å; L121-T165 WeakPolarHBondContact O-CA 3.16Å; L123-T165 HydrophobicContact CD1-CG2 3.84Å; L123-T165 HydrophobicContact CG-CG2 4.39Å; V144-T165 HydrophobicContact CG1-CG2 3.75Å; V144-T165 HydrophobicContact CG2-CG2 4.11Å; D145-T165 VanDerWaalsContact OD1-CB 3.25Å; D145-T165 WeakPolarHBondContact OD1-CB 3.34Å; D145-T165 PolarHBondContact OD1-OG1 3.43Å; L163-T165 PolarHBondContact O-N 2.95Å; T165-H187 PolarHBondContact O-CE1 2.84Å
166F98.9Very high97.4Very high11 Ų1151 Ų515%0.04827%0.272CS..EExtended strand (participates in β ladder)trans-96.6138.2164.4176.8-98000109.9L24 L121 S122 L123 A168 E183 Y184 H187L24-F166 HydrophobicContact CD1-CE1 4.3Å; L121-F166 PolarHBondContact O-N 2.75Å; S122-F166 WeakPolarHBondContact CA-O 3.36Å; S122-F166 WeakPolarHBondContact OG-CD1 3.37Å; L123-F166 PolarHBondContact N-O 3.34Å; F166-A168 HydrophobicContact CE1-CB 4.32Å; F166-E183 HydrophobicContact CE2-CB 4.02Å; F166-E183 HydrophobicContact CZ-CB 4.49Å; F166-Y184 HydrophobicContact CB-CD2 3.99Å; F166-Y184 HydrophobicContact CB-CE2 3.97Å; F166-Y184 AromaticContact CD1-CD2 3.45Å; F166-Y184 HydrophobicContact CD1-CD2 3.45Å; F166-Y184 VanDerWaalsContact CD1-CD2 3.45Å; F166-Y184 AromaticContact CD1-CE2 3.84Å; F166-Y184 HydrophobicContact CD1-CE2 3.84Å; F166-Y184 HydrophobicContact CD1-CG 4.03Å; F166-Y184 AromaticContact CD2-CD2 3.73Å; F166-Y184 HydrophobicContact CD2-CD2 3.73Å; F166-Y184 HydrophobicContact CD2-CG 4.47Å; F166-Y184 AromaticContact CE1-CD2 3.79Å; F166-Y184 HydrophobicContact CE1-CD2 3.79Å; F166-Y184 AromaticContact CE1-CG 3.88Å; F166-Y184 HydrophobicContact CE1-CG 3.88Å; F166-Y184 HydrophobicContact CE2-CD2 4.05Å; F166-Y184 HydrophobicContact CE2-CG 4.35Å; F166-Y184 AromaticContact CG-CD2 3.42Å; F166-Y184 HydrophobicContact CG-CD2 3.42Å; F166-Y184 VanDerWaalsContact CG-CD2 3.42Å; F166-Y184 AromaticContact CG-CE2 3.86Å; F166-Y184 HydrophobicContact CG-CE2 3.86Å; F166-Y184 HydrophobicContact CG-CG 4.32Å; F166-Y184 HydrophobicContact CZ-CD2 4.08Å; F166-Y184 HydrophobicContact CZ-CG 4.06Å; F166-H187 HydrophobicContact CD2-CB 4.02Å
167I98.7Very high97.3Very high20 Ų2051.5 Ų51.510%0.10328%0.279CS..EExtended strand (participates in β ladder)trans-142.1129.8174.8-176167.4000110.9L123 W125 M129 F132 V144L123-I167 HydrophobicContact CB-CB 4.25Å; L123-I167 HydrophobicContact CB-CD1 4.43Å; L123-I167 HydrophobicContact CB-CG1 4.07Å; L123-I167 CarbonylContact O-C 3.59Å; L123-I167 WeakPolarHBondContact O-CA 3.48Å; W125-I167 HydrophobicContact CB-CD1 4.18Å; W125-I167 HydrophobicContact CG-CD1 3.99Å; M129-I167 HydrophobicContact CE-CG2 3.61Å; F132-I167 HydrophobicContact CE1-CD1 4.42Å; F132-I167 HydrophobicContact CE2-CD1 4.03Å; F132-I167 HydrophobicContact CZ-CD1 3.88Å; V144-I167 HydrophobicContact CB-CD1 4.44Å; V144-I167 HydrophobicContact CG2-CD1 3.78Å
168A98.5Very high97.3Very high1 Ų154 Ų541%0.00830%0.299CS..EExtended strand (participates in β ladder)trans-97.6123.7166.900000109.5L123 W125 F166 V171 Y180L123-A168 PolarHBondContact O-N 3.31Å; W125-A168 PolarHBondContact N-O 3.14Å; F166-A168 HydrophobicContact CE1-CB 4.32Å; A168-V171 HydrophobicContact CB-CG1 3.83Å; A168-V171 WeakPolarHBondContact O-CG1 3.32Å; A168-Y180 HydrophobicContact CB-CD1 3.78Å; A168-Y180 HydrophobicContact CB-CE1 4.15Å; A168-Y180 HydrophobicContact CB-CG 4.05Å
169N98Very high97.2Very high17 Ų1758.3 Ų58.39%0.09132%0.315CS..  trans-106.5162.3-177.7-65.694.7000112.7W125 A127 M129 F132 V171 Y180W125-N169 CarbonylContact O-C 3.57Å; W125-N169 WeakPolarHBondContact O-CA 3.37Å; A127-N169 WeakPolarHBondContact O-CB 3.42Å; A127-N169 PolarHBondContact O-ND2 3.16Å; M129-N169 WeakPolarHBondContact CE-OD1 3.3Å; F132-N169 WeakPolarHBondContact CE2-ND2 3.41Å; N169-V171 PolarHBondContact O-N 3.43Å; N169-Y180 PolarHBondContact O-OH 2.99Å
170D96.8Very high97.2Very high28 Ų2857.5 Ų57.515%0.1531%0.306CS..SBendtrans52.430.1-177.7-80.5-61.7000115.2W125 P128 I172 K173 M174W125-D170 PolarHBondContact O-N 2.93Å; P128-D170 WeakPolarHBondContact CA-OD2 3.45Å; P128-D170 WeakPolarHBondContact CB-OD2 3.36Å; D170-I172 PolarHBondContact O-N 3.49Å; D170-K173 PolarHBondContact O-N 2.97Å; D170-M174 HydrophobicContact CB-CB 4.17Å; D170-M174 HydrophobicContact CB-CE 3.67Å; D170-M174 VanDerWaalsContact CG-CE 3.49Å; D170-M174 CarbonylContact O-C 3.45Å; D170-M174 PolarHBondContact O-N 2.92Å; D170-M174 WeakPolarHBondContact OD2-CE 3.32Å
171V96.2Very high97.2Very high25 Ų2558.5 Ų58.515%0.15231%0.313CS..THydrogen-bonded Turntrans-66.2-12.2-169.3-54.80000115.5L20 W125 A168 N169 Y180L20-V171 HydrophobicContact CD2-CB 3.69Å; L20-V171 HydrophobicContact CD2-CG1 3.63Å; L20-V171 HydrophobicContact CD2-CG2 4.29Å; W125-V171 WeakPolarHBondContact O-CG2 3.45Å; W125-V171 PolarHBondContact O-N 3.09Å; A168-V171 HydrophobicContact CB-CG1 3.83Å; A168-V171 WeakPolarHBondContact O-CG1 3.32Å; N169-V171 PolarHBondContact O-N 3.43Å; V171-Y180 HydrophobicContact CB-CE2 4.46Å; V171-Y180 HydrophobicContact CG1-CE1 4.42Å; V171-Y180 HydrophobicContact CG1-CE2 4.13Å
172I92.2Very high97.2Very high110 Ų11057.4 Ų57.456%0.56431%0.308SS*.THydrogen-bonded Turntrans-103.8-45.4175.9-53.8177.4000110.8N126 D170N126-I172 HydrophobicContact CB-CB 4.39Å; N126-I172 HydrophobicContact CB-CD1 3.98Å; N126-I172 HydrophobicContact CB-CG1 4.11Å; N126-I172 WeakPolarHBondContact OD1-CB 3.29Å; D170-I172 PolarHBondContact O-N 3.49Å
173K91.8Very high97.2Very high162 Ų16257.8 Ų57.870%0.70430%0.304SS*.THydrogen-bonded Turntrans-78.7-33.4-175.9-72.3-176.3177.5178.30113.5N126 D170N126-K173 PolarHBondContact OD1-N 3.29Å; D170-K173 PolarHBondContact O-N 2.97Å
174M93.8Very high97.2Very high119 Ų11956.7 Ų56.759%0.58630%0.298SS*.SBendtrans-136.364.8-179-59.7-172.1-66.400110.4D170 D176 Y180D170-M174 HydrophobicContact CB-CB 4.17Å; D170-M174 HydrophobicContact CB-CE 3.67Å; D170-M174 VanDerWaalsContact CG-CE 3.49Å; D170-M174 CarbonylContact O-C 3.45Å; D170-M174 PolarHBondContact O-N 2.92Å; D170-M174 WeakPolarHBondContact OD2-CE 3.32Å; M174-D176 PolarHBondContact O-N 3.45Å; M174-Y180 PolarHBondContact O-OH 3.29Å
175P94.2Very high97.2Very high91 Ų9157.4 Ų57.459%0.59129%0.29SS*.  trans-65.7123.8-175.727.9-34.6000111.5
176D97.3Very high97.2Very high63 Ų6362.3 Ų62.334%0.33731%0.31SS..  trans-136.170179.2-171.3-4.3000110.9M174 R179 Y180M174-D176 PolarHBondContact O-N 3.45Å; D176-R179 HydrophobicContact CB-CB 4.16Å; D176-R179 PolarHBondContact O-N 3.23Å; D176-R179 WeakPolarHBondContact OD1-CB 3.28Å; D176-R179 PolarHBondContact OD1-N 2.87Å; D176-R179 WeakPolarHBondContact OD2-CB 3.5Å; D176-R179 WeakPolarHBondContact OD2-CD 3.43Å; D176-R179 IonicContact OD2-NE 3.35Å; D176-R179 PolarHBondContact OD2-NE 3.04Å; D176-R179 VanDerWaalsContact OD2-NE 3.08Å; D176-Y180 VanDerWaalsContact C-CD2 3.49Å; D176-Y180 VanDerWaalsContact C-CE2 3.46Å; D176-Y180 HydrophobicContact CB-CE1 4.49Å; D176-Y180 VanDerWaalsContact N-CE2 3.27Å; D176-Y180 PolarHBondContact N-OH 3.34Å; D176-Y180 WeakPolarHBondContact O-CD2 3.4Å; D176-Y180 WeakPolarHBondContact O-CE2 3.44Å; D176-Y180 PolarHBondContact O-N 3.32Å
177V97.3Very high97.2Very high65 Ų6563.3 Ų63.339%0.39432%0.315SS..Hα-helixtrans-55-47-176.1-1790000112.6L20 T23 R179 Y180 T181L20-V177 HydrophobicContact CD1-CG2 4.45Å; T23-V177 HydrophobicContact CG2-CG1 4.22Å; V177-R179 VanDerWaalsContact C-N 3.32Å; V177-R179 PolarHBondContact O-N 2.89Å; V177-Y180 PolarHBondContact O-N 3.36Å; V177-T181 HydrophobicContact CG1-CG2 4.11Å; V177-T181 WeakPolarHBondContact O-CG2 3.38Å; V177-T181 PolarHBondContact O-N 3.46Å; V177-T181 PolarHBondContact O-OG1 2.88Å
178P98.2Very high97.2Very high93 Ų9362.4 Ų62.460%0.60431%0.31SS*.Hα-helixtrans-55-46.4177.6-26.336.4000112.6T181 E182P178-T181 PolarHBondContact O-N 3.49Å; P178-T181 PolarHBondContact O-OG1 3.21Å; P178-E182 WeakPolarHBondContact O-CB 3.14Å; P178-E182 PolarHBondContact O-N 3.28Å
179R98.2Very high97.2Very high93 Ų9365.8 Ų65.835%0.35133%0.33SS..Hα-helixtrans-62.3-47.4176.9-177.6178.662.883-6.7112.1D176 V177 T181 E182 E183D176-R179 HydrophobicContact CB-CB 4.16Å; D176-R179 PolarHBondContact O-N 3.23Å; D176-R179 WeakPolarHBondContact OD1-CB 3.28Å; D176-R179 PolarHBondContact OD1-N 2.87Å; D176-R179 WeakPolarHBondContact OD2-CB 3.5Å; D176-R179 WeakPolarHBondContact OD2-CD 3.43Å; D176-R179 IonicContact OD2-NE 3.35Å; D176-R179 PolarHBondContact OD2-NE 3.04Å; D176-R179 VanDerWaalsContact OD2-NE 3.08Å; V177-R179 VanDerWaalsContact C-N 3.32Å; V177-R179 PolarHBondContact O-N 2.89Å; R179-T181 VanDerWaalsContact C-N 3.28Å; R179-T181 PolarHBondContact O-N 2.99Å; R179-E182 PolarHBondContact O-N 2.83Å; R179-E183 WeakPolarHBondContact CD-OE1 3.48Å; R179-E183 HydrophobicContact CG-CG 4.17Å; R179-E183 WeakPolarHBondContact CG-OE1 3.23Å; R179-E183 IonicContact CZ-OE1 3.51Å; R179-E183 IonicContact NE-OE1 3.7Å; R179-E183 VanDerWaalsContact NH1-CD 3.28Å; R179-E183 IonicContact NH1-OE1 2.64Å; R179-E183 PolarHBondContact NH1-OE1 3.42Å; R179-E183 IonicContact NH1-OE2 3.13Å; R179-E183 PolarHBondContact NH1-OE2 3.35Å; R179-E183 WeakPolarHBondContact O-CB 3.48Å; R179-E183 WeakPolarHBondContact O-CG 3.43Å; R179-E183 PolarHBondContact O-N 3.28Å
180Y98.2Very high97.2Very high1 Ų173 Ų730%0.00436%0.363CS..Hα-helixtrans-57.9-43.1178.6-53.3-39.3000111.7L20 A168 N169 V171 M174 D176 V177 Y184L20-Y180 HydrophobicContact CD1-CD2 3.94Å; L20-Y180 HydrophobicContact CD2-CD2 4.19Å; L20-Y180 HydrophobicContact CD2-CE2 4.32Å; A168-Y180 HydrophobicContact CB-CD1 3.78Å; A168-Y180 HydrophobicContact CB-CE1 4.15Å; A168-Y180 HydrophobicContact CB-CG 4.05Å; N169-Y180 PolarHBondContact O-OH 2.99Å; V171-Y180 HydrophobicContact CB-CE2 4.46Å; V171-Y180 HydrophobicContact CG1-CE1 4.42Å; V171-Y180 HydrophobicContact CG1-CE2 4.13Å; M174-Y180 PolarHBondContact O-OH 3.29Å; D176-Y180 VanDerWaalsContact C-CD2 3.49Å; D176-Y180 VanDerWaalsContact C-CE2 3.46Å; D176-Y180 HydrophobicContact CB-CE1 4.49Å; D176-Y180 VanDerWaalsContact N-CE2 3.27Å; D176-Y180 PolarHBondContact N-OH 3.34Å; D176-Y180 WeakPolarHBondContact O-CD2 3.4Å; D176-Y180 WeakPolarHBondContact O-CE2 3.44Å; D176-Y180 PolarHBondContact O-N 3.32Å; V177-Y180 PolarHBondContact O-N 3.36Å; Y180-Y184 VanDerWaalsContact O-CB 3.28Å; Y180-Y184 WeakPolarHBondContact O-CB 3.43Å; Y180-Y184 PolarHBondContact O-N 3.19Å
181T98.5Very high97.3Very high25 Ų2573.6 Ų73.615%0.15337%0.367CS..Hα-helixtrans-66.4-40.7179.3610000112.2T23 V27 V177 P178 R179 Y184 R185T23-T181 HydrophobicContact CG2-CG2 4.08Å; V27-T181 HydrophobicContact CG2-CG2 3.66Å; V177-T181 HydrophobicContact CG1-CG2 4.11Å; V177-T181 WeakPolarHBondContact O-CG2 3.38Å; V177-T181 PolarHBondContact O-N 3.46Å; V177-T181 PolarHBondContact O-OG1 2.88Å; P178-T181 PolarHBondContact O-N 3.49Å; P178-T181 PolarHBondContact O-OG1 3.21Å; R179-T181 VanDerWaalsContact C-N 3.28Å; R179-T181 PolarHBondContact O-N 2.99Å; T181-Y184 PolarHBondContact O-N 3.17Å; T181-R185 WeakPolarHBondContact O-CG 3.35Å; T181-R185 PolarHBondContact O-N 2.88Å
182E98.6Very high97.4Very high92 Ų9273.4 Ų73.443%0.4336%0.364SS..Hα-helixtrans-68.1-45.6178.6178.661.6-170.200112.1P178 R179 Y184 R185 K186P178-E182 WeakPolarHBondContact O-CB 3.14Å; P178-E182 PolarHBondContact O-N 3.28Å; R179-E182 PolarHBondContact O-N 2.83Å; E182-Y184 VanDerWaalsContact C-N 3.29Å; E182-Y184 PolarHBondContact O-N 3.37Å; E182-R185 PolarHBondContact O-N 3.36Å; E182-K186 WeakPolarHBondContact O-CG 3.49Å; E182-K186 PolarHBondContact O-N 3.38Å; E182-K186 WeakPolarHBondContact OE1-CE 3.15Å; E182-K186 IonicContact OE1-NZ 3.38Å; E182-K186 PolarHBondContact OE1-NZ 3.23Å
183E98.7Very high97.5Very high71 Ų7173.2 Ų73.233%0.33239%0.388SS..Hα-helixtrans-59.8-41.8174.6-72171.5178.800110.8F166 R179 K186 H187F166-E183 HydrophobicContact CE2-CB 4.02Å; F166-E183 HydrophobicContact CZ-CB 4.49Å; R179-E183 WeakPolarHBondContact CD-OE1 3.48Å; R179-E183 HydrophobicContact CG-CG 4.17Å; R179-E183 WeakPolarHBondContact CG-OE1 3.23Å; R179-E183 IonicContact CZ-OE1 3.51Å; R179-E183 IonicContact NE-OE1 3.7Å; R179-E183 VanDerWaalsContact NH1-CD 3.28Å; R179-E183 IonicContact NH1-OE1 2.64Å; R179-E183 PolarHBondContact NH1-OE1 3.42Å; R179-E183 IonicContact NH1-OE2 3.13Å; R179-E183 PolarHBondContact NH1-OE2 3.35Å; R179-E183 WeakPolarHBondContact O-CB 3.48Å; R179-E183 WeakPolarHBondContact O-CG 3.43Å; R179-E183 PolarHBondContact O-N 3.28Å; E183-K186 PolarHBondContact O-N 3.46Å; E183-H187 WeakPolarHBondContact O-CB 3.48Å; E183-H187 PolarHBondContact O-N 3.21Å
184Y98.8Very high97.8Very high0 Ų068.8 Ų68.80%037%0.373CS..Hα-helixtrans-68.4-40.2179.4-166-147000112.5L24 V27 A28 M120 S122 F166 Y180 T181 E182 K186 H187 L188L24-Y184 HydrophobicContact CB-CD1 4.12Å; L24-Y184 HydrophobicContact CB-CE1 4.13Å; L24-Y184 HydrophobicContact CD2-CD1 3.84Å; L24-Y184 HydrophobicContact CD2-CG 4.34Å; L24-Y184 VanDerWaalsContact O-CE1 3.32Å; L24-Y184 WeakPolarHBondContact O-CE1 3.22Å; V27-Y184 HydrophobicContact CB-CD1 4.37Å; V27-Y184 HydrophobicContact CG1-CD1 3.96Å; A28-Y184 HydrophobicContact CB-CE1 3.76Å; M120-Y184 HydrophobicContact CE-CE2 3.88Å; S122-Y184 WeakPolarHBondContact CB-OH 3.49Å; S122-Y184 PolarHBondContact OG-OH 3.32Å; F166-Y184 HydrophobicContact CB-CD2 3.99Å; F166-Y184 HydrophobicContact CB-CE2 3.97Å; F166-Y184 AromaticContact CD1-CD2 3.45Å; F166-Y184 HydrophobicContact CD1-CD2 3.45Å; F166-Y184 VanDerWaalsContact CD1-CD2 3.45Å; F166-Y184 AromaticContact CD1-CE2 3.84Å; F166-Y184 HydrophobicContact CD1-CE2 3.84Å; F166-Y184 HydrophobicContact CD1-CG 4.03Å; F166-Y184 AromaticContact CD2-CD2 3.73Å; F166-Y184 HydrophobicContact CD2-CD2 3.73Å; F166-Y184 HydrophobicContact CD2-CG 4.47Å; F166-Y184 AromaticContact CE1-CD2 3.79Å; F166-Y184 HydrophobicContact CE1-CD2 3.79Å; F166-Y184 AromaticContact CE1-CG 3.88Å; F166-Y184 HydrophobicContact CE1-CG 3.88Å; F166-Y184 HydrophobicContact CE2-CD2 4.05Å; F166-Y184 HydrophobicContact CE2-CG 4.35Å; F166-Y184 AromaticContact CG-CD2 3.42Å; F166-Y184 HydrophobicContact CG-CD2 3.42Å; F166-Y184 VanDerWaalsContact CG-CD2 3.42Å; F166-Y184 AromaticContact CG-CE2 3.86Å; F166-Y184 HydrophobicContact CG-CE2 3.86Å; F166-Y184 HydrophobicContact CG-CG 4.32Å; F166-Y184 HydrophobicContact CZ-CD2 4.08Å; F166-Y184 HydrophobicContact CZ-CG 4.06Å; Y180-Y184 VanDerWaalsContact O-CB 3.28Å; Y180-Y184 WeakPolarHBondContact O-CB 3.43Å; Y180-Y184 PolarHBondContact O-N 3.19Å; T181-Y184 PolarHBondContact O-N 3.17Å; E182-Y184 VanDerWaalsContact C-N 3.29Å; E182-Y184 PolarHBondContact O-N 3.37Å; Y184-K186 VanDerWaalsContact C-N 3.33Å; Y184-K186 PolarHBondContact O-N 2.88Å; Y184-H187 PolarHBondContact O-N 3.34Å; Y184-L188 HydrophobicContact CD1-CD1 4.12Å; Y184-L188 HydrophobicContact CD2-CD1 4.31Å; Y184-L188 HydrophobicContact CD2-CG 4.13Å; Y184-L188 HydrophobicContact CE1-CD1 4.05Å; Y184-L188 HydrophobicContact CE2-CD1 4.21Å; Y184-L188 HydrophobicContact CE2-CD2 4Å; Y184-L188 HydrophobicContact CE2-CG 3.95Å; Y184-L188 HydrophobicContact CG-CD1 4.26Å; Y184-L188 VanDerWaalsContact O-CG 3.25Å; Y184-L188 WeakPolarHBondContact O-CG 3.4Å; Y184-L188 PolarHBondContact O-N 3.36Å
185R98.8Very high98Very high96 Ų9666.1 Ų66.136%0.36236%0.361SS..Hα-helixtrans-58.4-45.5172.7-72.6-173.3-153.8-77.53.5111.6V27 T31 T181 E182 H187 L188 V189V27-R185 HydrophobicContact CG1-CG 3.67Å; T31-R185 WeakPolarHBondContact OG1-CG 3.48Å; T31-R185 PolarHBondContact OG1-NH1 2.71Å; T181-R185 WeakPolarHBondContact O-CG 3.35Å; T181-R185 PolarHBondContact O-N 2.88Å; E182-R185 PolarHBondContact O-N 3.36Å; R185-H187 PolarHBondContact O-N 2.94Å; R185-L188 PolarHBondContact O-N 3.29Å; R185-V189 WeakPolarHBondContact O-CB 3.46Å; R185-V189 VanDerWaalsContact O-CG2 3.29Å; R185-V189 WeakPolarHBondContact O-CG2 3.37Å; R185-V189 PolarHBondContact O-N 3.35Å
186K98.8Very high98.2Very high126 Ų12664.7 Ų64.755%0.54835%0.349SS..Hα-helixtrans-59.6-46.7176.9-73.3174.8-176.7162.60111.8E182 E183 Y184 L188 V189 E190E182-K186 WeakPolarHBondContact O-CG 3.49Å; E182-K186 PolarHBondContact O-N 3.38Å; E182-K186 WeakPolarHBondContact OE1-CE 3.15Å; E182-K186 IonicContact OE1-NZ 3.38Å; E182-K186 PolarHBondContact OE1-NZ 3.23Å; E183-K186 PolarHBondContact O-N 3.46Å; Y184-K186 VanDerWaalsContact C-N 3.33Å; Y184-K186 PolarHBondContact O-N 2.88Å; K186-L188 VanDerWaalsContact C-N 3.33Å; K186-L188 PolarHBondContact O-N 3.25Å; K186-V189 PolarHBondContact O-N 3.31Å; K186-E190 WeakPolarHBondContact O-CB 3.33Å; K186-E190 PolarHBondContact O-N 3.08Å
187H98.9Very high98.2Very high32 Ų3264.8 Ų64.815%0.14835%0.349CS..Hα-helixtrans-59-44177.6-169.592.5000112.1P164 T165 F166 E183 Y184 R185 E190 I191P164-H187 PolarHBondContact O-CE1 3.33Å; P164-H187 PolarHBondContact O-NE2 3.02Å; T165-H187 PolarHBondContact O-CE1 2.84Å; F166-H187 HydrophobicContact CD2-CB 4.02Å; E183-H187 WeakPolarHBondContact O-CB 3.48Å; E183-H187 PolarHBondContact O-N 3.21Å; Y184-H187 PolarHBondContact O-N 3.34Å; R185-H187 PolarHBondContact O-N 2.94Å; H187-E190 PolarHBondContact O-N 2.88Å; H187-I191 VanDerWaalsContact CD2-CD1 3.45Å; H187-I191 WeakPolarHBondContact CD2-CD1 3.17Å; H187-I191 WeakPolarHBondContact NE2-CD1 3.36Å; H187-I191 WeakPolarHBondContact O-CG1 3.43Å; H187-I191 PolarHBondContact O-N 2.94Å
188L98.9Very high98.3Very high0 Ų064.8 Ų64.80%035%0.346CS..Hα-helixtrans-65.4-45.2176.6-68.1168000111.8A28 T31 L32 I64 M120 Y184 R185 K186 E190 I191 F192A28-L188 HydrophobicContact CB-CD1 3.96Å; T31-L188 HydrophobicContact CG2-CB 4.04Å; T31-L188 HydrophobicContact CG2-CD1 4.25Å; L32-L188 HydrophobicContact CD2-CD2 4.27Å; I64-L188 HydrophobicContact CD1-CD2 4.18Å; M120-L188 HydrophobicContact CE-CD2 3.85Å; Y184-L188 HydrophobicContact CD1-CD1 4.12Å; Y184-L188 HydrophobicContact CD2-CD1 4.31Å; Y184-L188 HydrophobicContact CD2-CG 4.13Å; Y184-L188 HydrophobicContact CE1-CD1 4.05Å; Y184-L188 HydrophobicContact CE2-CD1 4.21Å; Y184-L188 HydrophobicContact CE2-CD2 4Å; Y184-L188 HydrophobicContact CE2-CG 3.95Å; Y184-L188 HydrophobicContact CG-CD1 4.26Å; Y184-L188 VanDerWaalsContact O-CG 3.25Å; Y184-L188 WeakPolarHBondContact O-CG 3.4Å; Y184-L188 PolarHBondContact O-N 3.36Å; R185-L188 PolarHBondContact O-N 3.29Å; K186-L188 VanDerWaalsContact C-N 3.33Å; K186-L188 PolarHBondContact O-N 3.25Å; L188-E190 VanDerWaalsContact C-N 3.33Å; L188-E190 PolarHBondContact O-N 3.21Å; L188-I191 PolarHBondContact O-N 3Å; L188-F192 HydrophobicContact CB-CD2 4.48Å; L188-F192 HydrophobicContact CD2-CD2 4.06Å; L188-F192 HydrophobicContact CD2-CE2 3.9Å; L188-F192 WeakPolarHBondContact O-CB 3.44Å; L188-F192 WeakPolarHBondContact O-CD2 3.33Å; L188-F192 PolarHBondContact O-N 2.85Å
189V98.6Very high98.3Very high72 Ų7262.9 Ų62.944%0.43633%0.329SS..Hα-helixtrans-64.2-37.2177.9171.50000111.5T31 L35 R185 K186 I191 G193T31-V189 HydrophobicContact CG2-CG2 4.14Å; L35-V189 HydrophobicContact CD1-CG2 4.23Å; R185-V189 WeakPolarHBondContact O-CB 3.46Å; R185-V189 VanDerWaalsContact O-CG2 3.29Å; R185-V189 WeakPolarHBondContact O-CG2 3.37Å; R185-V189 PolarHBondContact O-N 3.35Å; K186-V189 PolarHBondContact O-N 3.31Å; V189-I191 VanDerWaalsContact C-N 3.29Å; V189-I191 PolarHBondContact O-N 3.21Å; V189-G193 VanDerWaalsContact O-CA 3.23Å; V189-G193 WeakPolarHBondContact O-CA 3.01Å; V189-G193 PolarHBondContact O-N 3.35Å
190E98.6Very high98.3Very high168 Ų16860.8 Ų60.879%0.78533%0.328SS*.Hα-helixtrans-64.4-35176.1-176.1175.8174.500112.5K186 H187 L188K186-E190 WeakPolarHBondContact O-CB 3.33Å; K186-E190 PolarHBondContact O-N 3.08Å; H187-E190 PolarHBondContact O-N 2.88Å; L188-E190 VanDerWaalsContact C-N 3.33Å; L188-E190 PolarHBondContact O-N 3.21Å
191I98.3Very high98.3Very high42 Ų4265.4 Ų65.422%0.21535%0.353CS..Hα-helixtrans-87.1-37-177-69174.3000112.8M120 L163 P164 H187 L188 V189M120-I191 HydrophobicContact SD-CD1 3.64Å; L163-I191 HydrophobicContact CD1-CG2 3.84Å; L163-I191 HydrophobicContact CD2-CG2 3.93Å; L163-I191 HydrophobicContact CG-CG2 4.32Å; P164-I191 HydrophobicContact CB-CD1 4.27Å; P164-I191 HydrophobicContact CG-CD1 4.32Å; H187-I191 VanDerWaalsContact CD2-CD1 3.45Å; H187-I191 WeakPolarHBondContact CD2-CD1 3.17Å; H187-I191 WeakPolarHBondContact NE2-CD1 3.36Å; H187-I191 WeakPolarHBondContact O-CG1 3.43Å; H187-I191 PolarHBondContact O-N 2.94Å; L188-I191 PolarHBondContact O-N 3Å; V189-I191 VanDerWaalsContact C-N 3.29Å; V189-I191 PolarHBondContact O-N 3.21Å
192F98.2Very high98.3Very high21 Ų2168.8 Ų68.89%0.09237%0.369CS..Hα-helixtrans-118.3-7.3-167.9-61.6-77.5000114.4I4 L32 L35 H37 V62 I64 M120 L163 L188I4-F192 HydrophobicContact CD1-CD1 3.76Å; I4-F192 HydrophobicContact CD1-CE1 3.65Å; I4-F192 HydrophobicContact CD1-CG 4.39Å; I4-F192 HydrophobicContact CD1-CZ 4.21Å; I4-F192 HydrophobicContact CG1-CE1 4.46Å; L32-F192 HydrophobicContact CD2-CB 3.92Å; L32-F192 HydrophobicContact CD2-CD1 4.29Å; L32-F192 HydrophobicContact CD2-CD2 3.53Å; L32-F192 HydrophobicContact CD2-CE2 4.07Å; L32-F192 HydrophobicContact CD2-CG 3.66Å; L35-F192 HydrophobicContact CD1-CB 4.11Å; H37-F192 PolarHBondContact NE2-O 3Å; V62-F192 HydrophobicContact CB-CE1 4.21Å; V62-F192 HydrophobicContact CG1-CE1 4.04Å; V62-F192 HydrophobicContact CG1-CZ 3.91Å; V62-F192 HydrophobicContact CG2-CE1 4.02Å; I64-F192 HydrophobicContact CD1-CE2 4.25Å; I64-F192 HydrophobicContact CD1-CZ 4.26Å; M120-F192 HydrophobicContact SD-CE2 4.39Å; L163-F192 HydrophobicContact CD1-CE1 4.25Å; L163-F192 HydrophobicContact CD1-CZ 3.86Å; L188-F192 HydrophobicContact CB-CD2 4.48Å; L188-F192 HydrophobicContact CD2-CD2 4.06Å; L188-F192 HydrophobicContact CD2-CE2 3.9Å; L188-F192 WeakPolarHBondContact O-CB 3.44Å; L188-F192 WeakPolarHBondContact O-CD2 3.33Å; L188-F192 PolarHBondContact O-N 2.85Å
193G94.3Very high98.2Very high105 Ų10566.6 Ų66.6100%1.08236%0.364SS*.  trans-72.50178.300000114.9V189V189-G193 VanDerWaalsContact O-CA 3.23Å; V189-G193 WeakPolarHBondContact O-CA 3.01Å; V189-G193 PolarHBondContact O-N 3.35Å

Retrieved 193 of 193 residues in 62.6 ms (Link to these results)

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