A0A077Z2S4_TRITR Loading...

Sec1 domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z2S4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 603 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
1M90.5Very high77.5Confident46 Ų4678.9 Ų78.923%0.22742%0.424CS..  0-660-174.2-169.97400113.1N3 F4 N5 L21 I64 F66 N92 M126M1-N3 CarbonylContact O-C 3.52Å; M1-N3 PolarHBondContact O-N 2.81Å; M1-F4 PolarHBondContact O-N 3.21Å; M1-N5 PolarHBondContact O-N 3.06Å; M1-L21 HydrophobicContact CE-CD1 4.3Å; M1-I64 HydrophobicContact CG-CG2 4.16Å; M1-I64 HydrophobicContact SD-CG2 4.45Å; M1-F66 HydrophobicContact CE-CB 4.02Å; M1-F66 HydrophobicContact CE-CD1 4.46Å; M1-F66 HydrophobicContact CE-CD2 4.34Å; M1-F66 HydrophobicContact CE-CG 4.01Å; M1-F66 HydrophobicContact SD-CB 3.68Å; M1-F66 HydrophobicContact SD-CD1 4.46Å; M1-F66 HydrophobicContact SD-CD2 3.35Å; M1-F66 WeakPolarHBondContact SD-CD2 3.06Å; M1-F66 HydrophobicContact SD-CE2 4.11Å; M1-F66 HydrophobicContact SD-CG 3.57Å; M1-F66 VanDerWaalsContact SD-CG 3.57Å; M1-N92 HydrophobicContact CG-CB 4.03Å; M1-N92 HydrophobicContact SD-CB 3.95Å; M1-M126 HydrophobicContact SD-CE 4.44Å
2L90.8Very high74.8Confident14 Ų1480.9 Ų80.97%0.07344%0.44CS..THydrogen-bonded Turntrans-56.4-22.4-169.9-64.6174.8000116F4 K19 L21 F35 L40 Y43 V45 I64L2-F4 VanDerWaalsContact C-N 3.27Å; L2-F4 PolarHBondContact O-N 3.38Å; L2-K19 WeakPolarHBondContact O-CD 3.32Å; L2-K19 PolarHBondContact O-NZ 3.06Å; L2-L21 HydrophobicContact CD2-CD1 4.19Å; L2-L21 HydrophobicContact CD2-CD2 4.21Å; L2-F35 HydrophobicContact CD1-CE1 4.22Å; L2-F35 HydrophobicContact CD1-CE2 4.49Å; L2-F35 HydrophobicContact CD1-CZ 4.12Å; L2-L40 HydrophobicContact CD1-CD2 4.02Å; L2-Y43 HydrophobicContact CD1-CD2 4.28Å; L2-Y43 HydrophobicContact CD1-CG 4.36Å; L2-V45 HydrophobicContact CD2-CG2 4.13Å; L2-I64 WeakPolarHBondContact O-CD1 3.38Å
3N89.2Confident72.8Confident35 Ų3582.5 Ų82.519%0.18746%0.461CS..THydrogen-bonded Turntrans-89.943.1170.4-167.528.7000112.5M1 N5 R6 P7 F14M1-N3 CarbonylContact O-C 3.52Å; M1-N3 PolarHBondContact O-N 2.81Å; N3-N5 PolarHBondContact O-N 3.43Å; N3-N5 VanDerWaalsContact O-N 3.07Å; N3-R6 PolarHBondContact ND2-O 3.14Å; N3-R6 WeakPolarHBondContact O-CB 3.39Å; N3-R6 PolarHBondContact O-N 3.2Å; N3-P7 PolarHBondContact ND2-O 3.5Å; N3-F14 HydrophobicContact CB-CE2 4.49Å; N3-F14 HydrophobicContact CB-CZ 4Å; N3-F14 WeakPolarHBondContact OD1-CZ 3.34Å
4F89.3Confident71.4Confident17 Ų1782 Ų828%0.07545%0.452CS..THydrogen-bonded Turntrans51.436.4-178.7-53.9-67.7000114.2M1 L2 R6 F17 K19 P62 I64 F90 K120M1-F4 PolarHBondContact O-N 3.21Å; L2-F4 VanDerWaalsContact C-N 3.27Å; L2-F4 PolarHBondContact O-N 3.38Å; F4-R6 PolarHBondContact O-N 3.14Å; F4-F17 HydrophobicContact CE2-CB 4.04Å; F4-F17 HydrophobicContact CZ-CB 4.44Å; F4-K19 HydrophobicContact CE1-CB 4.25Å; F4-K19 HydrophobicContact CE1-CD 4.27Å; F4-K19 HydrophobicContact CZ-CB 3.96Å; F4-K19 HydrophobicContact CZ-CD 4Å; F4-P62 HydrophobicContact CE1-CB 3.97Å; F4-P62 HydrophobicContact CE1-CG 4.14Å; F4-P62 HydrophobicContact CZ-CB 4.21Å; F4-P62 HydrophobicContact CZ-CG 3.87Å; F4-I64 HydrophobicContact CD1-CD1 3.95Å; F4-I64 HydrophobicContact CD1-CG1 4.07Å; F4-I64 HydrophobicContact CE1-CD1 4.04Å; F4-I64 HydrophobicContact CE1-CG1 4.02Å; F4-F90 HydrophobicContact CB-CD1 4.03Å; F4-F90 HydrophobicContact CB-CE1 3.64Å; F4-F90 HydrophobicContact CB-CZ 4.08Å; F4-F90 AromaticContact CD1-CD1 3.87Å; F4-F90 HydrophobicContact CD1-CD1 3.87Å; F4-F90 AromaticContact CD1-CD2 3.62Å; F4-F90 HydrophobicContact CD1-CD2 3.62Å; F4-F90 AromaticContact CD1-CE1 3.71Å; F4-F90 HydrophobicContact CD1-CE1 3.71Å; F4-F90 AromaticContact CD1-CE2 3.43Å; F4-F90 HydrophobicContact CD1-CE2 3.43Å; F4-F90 VanDerWaalsContact CD1-CE2 3.43Å; F4-F90 AromaticContact CD1-CG 3.83Å; F4-F90 HydrophobicContact CD1-CG 3.83Å; F4-F90 AromaticContact CD1-CZ 3.48Å; F4-F90 HydrophobicContact CD1-CZ 3.48Å; F4-F90 VanDerWaalsContact CD1-CZ 3.48Å; F4-F90 AromaticContact CE1-CD2 3.95Å; F4-F90 HydrophobicContact CE1-CD2 3.95Å; F4-F90 AromaticContact CE1-CE2 3.73Å; F4-F90 HydrophobicContact CE1-CE2 3.73Å; F4-F90 HydrophobicContact CE1-CZ 4.15Å; F4-F90 HydrophobicContact CG-CD1 4.42Å; F4-F90 HydrophobicContact CG-CE1 4.02Å; F4-F90 HydrophobicContact CG-CE2 4.36Å; F4-F90 AromaticContact CG-CZ 3.97Å; F4-F90 HydrophobicContact CG-CZ 3.97Å; F4-K120 WeakPolarHBondContact O-CD 3.49Å; F4-K120 PolarHBondContact O-NZ 3.36Å
5N87.2Confident70.3Confident28 Ų2885.5 Ų85.515%0.1547%0.47CS..THydrogen-bonded Turntrans52.637.8-173.4-51.385.5000113.2M1 N3 N92 K120 F122 Q124M1-N5 PolarHBondContact O-N 3.06Å; N3-N5 PolarHBondContact O-N 3.43Å; N3-N5 VanDerWaalsContact O-N 3.07Å; N5-N92 VanDerWaalsContact CG-OD1 3.31Å; N5-N92 PolarHBondContact ND2-OD1 3.09Å; N5-N92 PolarHBondContact OD1-OD1 3.43Å; N5-K120 HydrophobicContact CB-CD 4.21Å; N5-K120 PolarHBondContact O-NZ 2.89Å; N5-K120 VanDerWaalsContact O-NZ 3.15Å; N5-F122 HydrophobicContact CB-CD2 4.3Å; N5-F122 HydrophobicContact CB-CE1 4.3Å; N5-F122 HydrophobicContact CB-CE2 4.1Å; N5-F122 HydrophobicContact CB-CZ 4.08Å; N5-Q124 PolarHBondContact ND2-NE2 3.3Å
6R84Confident69.8Low166 Ų16683 Ų8363%0.62646%0.459SS*.  trans-106.5145.1169.7-61.1-179.2-178.8177.60.9109.4N3 F4N3-R6 PolarHBondContact ND2-O 3.14Å; N3-R6 WeakPolarHBondContact O-CB 3.39Å; N3-R6 PolarHBondContact O-N 3.2Å; F4-R6 PolarHBondContact O-N 3.14Å
7P78.1Confident70.2Confident119 Ų11987.3 Ų87.377%0.77347%0.472SS*.  trans-59.9144.3173.325.1-32.1000110N3 S9N3-P7 PolarHBondContact ND2-O 3.5Å; P7-S9 PolarHBondContact O-N 3Å
8I71.5Confident71.2Confident100 Ų10091.7 Ų91.751%0.51348%0.481SS..  trans-76.6112.4174.1-58.2171.5000106.4F14I8-F14 HydrophobicContact CG1-CE2 4.42Å; I8-F14 HydrophobicContact CG2-CD2 4.32Å; I8-F14 HydrophobicContact CG2-CE2 4.09Å
9S61.7Low72.4Confident64 Ų6486.9 Ų86.945%0.44846%0.456SS..  trans-93.9116.2175.3175.10000108.5P7 T11P7-S9 PolarHBondContact O-N 3Å; S9-T11 PolarHBondContact O-N 3.3Å; S9-T11 VanDerWaalsContact O-N 3.12Å; S9-T11 PolarHBondContact OG-OG1 3.46Å
10N57.4Low73.6Confident156 Ų15682.7 Ų82.783%0.83443%0.433SS*.THydrogen-bonded Turntrans-68.9-3.7179.1-66.5-11.2000113.5
11T52.3Low74.7Confident123 Ų12378.7 Ų78.776%0.75541%0.413SS*.THydrogen-bonded Turntrans-96.4-5.8-169.5480000114.9S9S9-T11 PolarHBondContact O-N 3.3Å; S9-T11 VanDerWaalsContact O-N 3.12Å; S9-T11 PolarHBondContact OG-OG1 3.46Å
12V45.6Very low75.1Confident103 Ų10376.5 Ų76.562%0.62440%0.402SS*.SBendtrans-130128.9174.8-171.50000107.5F14V12-F14 PolarHBondContact O-N 2.93Å
13S48.3Very low75.4Confident102 Ų10277.2 Ų77.271%0.71340%0.404SS*.  trans-41.4113168.644.20000108.7D15S13-D15 VanDerWaalsContact C-N 3.27Å; S13-D15 PolarHBondContact O-N 3.38Å
14F53.3Low75.7Confident75 Ų7576.5 Ų76.533%0.32940%0.4SS..  trans-68.587.7-174.6-160.5-86.6000107.1N3 I8 V12 P16N3-F14 HydrophobicContact CB-CE2 4.49Å; N3-F14 HydrophobicContact CB-CZ 4Å; N3-F14 WeakPolarHBondContact OD1-CZ 3.34Å; I8-F14 HydrophobicContact CG1-CE2 4.42Å; I8-F14 HydrophobicContact CG2-CD2 4.32Å; I8-F14 HydrophobicContact CG2-CE2 4.09Å; V12-F14 PolarHBondContact O-N 2.93Å; F14-P16 WeakPolarHBondContact O-CD 3.44Å; F14-P16 VanDerWaalsContact O-N 3.13Å
15D55.5Low76Confident135 Ų13581.5 Ų81.572%0.72242%0.422SS*.  trans-69.5106.3171.4-103.8-22.1000106.6S13 F17S13-D15 VanDerWaalsContact C-N 3.27Å; S13-D15 PolarHBondContact O-N 3.38Å; D15-F17 PolarHBondContact O-N 2.92Å
16P62.4Low76.4Confident45 Ų4583.2 Ų83.229%0.29243%0.433SS..  trans-73.7103.2-173.928.2-24.7000107.3F14 W18F14-P16 WeakPolarHBondContact O-CD 3.44Å; F14-P16 VanDerWaalsContact O-N 3.13Å; P16-W18 PolarHBondContact O-N 3.33Å; P16-W18 VanDerWaalsContact O-N 3.15Å
17F76.3Confident77Confident156 Ų15675.3 Ų75.368%0.68440%0.403SS*.  trans-56.7122164.9-79.6-88.3000108.3F4 D15 K19F4-F17 HydrophobicContact CE2-CB 4.04Å; F4-F17 HydrophobicContact CZ-CB 4.44Å; D15-F17 PolarHBondContact O-N 2.92Å; F17-K19 WeakPolarHBondContact O-CE 3.47Å; F17-K19 PolarHBondContact O-N 3.24Å
18W88.6Confident77.8Confident166 Ų16672.2 Ų72.263%0.62938%0.379SS*.  trans-58.4132175.7-59.1121.6000110P16 G44 T46 P62P16-W18 PolarHBondContact O-N 3.33Å; P16-W18 VanDerWaalsContact O-N 3.15Å; W18-G44 WeakPolarHBondContact CA-O 3.45Å; W18-T46 HydrophobicContact CB-CG2 3.8Å; W18-T46 HydrophobicContact CD2-CG2 3.57Å; W18-T46 HydrophobicContact CE3-CG2 3.1Å; W18-T46 HydrophobicContact CG-CG2 3.92Å; W18-T46 HydrophobicContact CZ3-CG2 3.79Å; W18-P62 WeakPolarHBondContact O-CD 3.46Å; W18-P62 WeakPolarHBondContact O-CG 3.46Å
19K94.1Very high79Confident2 Ų268.1 Ų68.11%0.00936%0.359CS..EExtended strand (participates in β ladder)trans-144.9157.6-178.679.1-154.589.3-175.40111.2L2 F4 F17 Y43 G44 V45 T46 P62 I64L2-K19 WeakPolarHBondContact O-CD 3.32Å; L2-K19 PolarHBondContact O-NZ 3.06Å; F4-K19 HydrophobicContact CE1-CB 4.25Å; F4-K19 HydrophobicContact CE1-CD 4.27Å; F4-K19 HydrophobicContact CZ-CB 3.96Å; F4-K19 HydrophobicContact CZ-CD 4Å; F17-K19 WeakPolarHBondContact O-CE 3.47Å; F17-K19 PolarHBondContact O-N 3.24Å; K19-Y43 WeakPolarHBondContact CE-O 3.35Å; K19-Y43 PolarHBondContact NZ-O 3.22Å; K19-G44 PolarHBondContact N-O 3.17Å; K19-V45 HydrophobicContact CD-CG2 4.36Å; K19-V45 HydrophobicContact CG-CG2 4.12Å; K19-V45 WeakPolarHBondContact O-CA 3.46Å; K19-T46 PolarHBondContact O-N 3.42Å; K19-T46 PolarHBondContact O-OG1 3.23Å; K19-P62 WeakPolarHBondContact CA-O 3.47Å; K19-P62 HydrophobicContact CB-CG 4.2Å; K19-I64 HydrophobicContact CD-CD1 3.53Å; K19-I64 HydrophobicContact CD-CG1 4.31Å; K19-I64 HydrophobicContact CG-CD1 4.27Å
20I95.9Very high80.7Confident1 Ų165.4 Ų65.41%0.00534%0.339CS..EExtended strand (participates in β ladder)trans-101.1139173.4-61.5164.5000108.1V22 L47 L49 L58 V61 P62 C63 I64 Y86I20-V22 HydrophobicContact CG2-CG2 4.17Å; I20-L47 WeakPolarHBondContact CA-O 3.32Å; I20-L47 HydrophobicContact CG1-CB 4.46Å; I20-L49 HydrophobicContact CG2-CD1 4.13Å; I20-L58 HydrophobicContact CD1-CB 3.89Å; I20-L58 HydrophobicContact CD1-CD1 3.41Å; I20-L58 VanDerWaalsContact CD1-CD1 3.41Å; I20-L58 HydrophobicContact CD1-CG 4.27Å; I20-L58 HydrophobicContact CG1-CD1 4.47Å; I20-V61 HydrophobicContact CD1-CB 4.02Å; I20-V61 HydrophobicContact CD1-CG1 3.93Å; I20-V61 HydrophobicContact CG1-CB 4.48Å; I20-V61 HydrophobicContact CG1-CG1 3.82Å; I20-P62 PolarHBondContact N-O 3.08Å; I20-C63 HydrophobicContact CB-CB 4.41Å; I20-C63 CarbonylContact O-C 3.45Å; I20-C63 WeakPolarHBondContact O-CA 3.48Å; I20-I64 PolarHBondContact O-N 2.95Å; I20-Y86 HydrophobicContact CD1-CD1 3.67Å; I20-Y86 HydrophobicContact CD1-CE1 3.46Å; I20-Y86 VanDerWaalsContact CD1-CE1 3.46Å; I20-Y86 HydrophobicContact CG2-CE1 4.32Å
21L97.2Very high82.4Confident0 Ų058.6 Ų58.60%030%0.302CS..EExtended strand (participates in β ladder)trans-109.1118.1172.2177.264.1000109.2M1 L2 Y23 L31 L40 V45 L47 H48 L49 I64 F66M1-L21 HydrophobicContact CE-CD1 4.3Å; L2-L21 HydrophobicContact CD2-CD1 4.19Å; L2-L21 HydrophobicContact CD2-CD2 4.21Å; L21-Y23 HydrophobicContact CD2-CD1 3.91Å; L21-Y23 HydrophobicContact CD2-CE1 4.13Å; L21-Y23 HydrophobicContact CG-CD1 3.86Å; L21-Y23 HydrophobicContact CG-CE1 4.36Å; L21-L31 HydrophobicContact CD2-CD1 3.87Å; L21-L40 HydrophobicContact CD2-CD2 4.34Å; L21-V45 HydrophobicContact CB-CG1 3.58Å; L21-V45 HydrophobicContact CB-CG2 4.39Å; L21-V45 HydrophobicContact CD2-CG1 4.5Å; L21-L47 PolarHBondContact N-O 3.03Å; L21-H48 HydrophobicContact CB-CB 4.26Å; L21-H48 CarbonylContact O-C 3.55Å; L21-H48 WeakPolarHBondContact O-CA 3.35Å; L21-L49 PolarHBondContact O-N 3.24Å; L21-I64 CarbonylContact C-O 3.59Å; L21-I64 WeakPolarHBondContact CA-O 3.48Å; L21-I64 HydrophobicContact CD1-CB 4.3Å; L21-I64 HydrophobicContact CD1-CG2 4.09Å; L21-F66 HydrophobicContact CD1-CB 4.28Å
22V97.8Very high84.3Confident0 Ų054.2 Ų54.20%028%0.277CS..EExtended strand (participates in β ladder)trans-107.8128.4171.9176.70000108.5I20 L49 L51 C63 I64 Y65 F66 Y86I20-V22 HydrophobicContact CG2-CG2 4.17Å; V22-L49 WeakPolarHBondContact CA-O 3.25Å; V22-L49 HydrophobicContact CG2-CB 4.44Å; V22-L51 HydrophobicContact CG1-CB 3.99Å; V22-L51 HydrophobicContact CG1-CD1 3.71Å; V22-L51 HydrophobicContact CG1-CG 4.49Å; V22-C63 VanDerWaalsContact CG2-SG 3.51Å; V22-I64 PolarHBondContact N-O 2.87Å; V22-Y65 HydrophobicContact CB-CD1 3.75Å; V22-Y65 HydrophobicContact CB-CE1 3.81Å; V22-Y65 HydrophobicContact CB-CG 4.33Å; V22-Y65 HydrophobicContact CG1-CD1 3.71Å; V22-Y65 HydrophobicContact CG1-CE1 3.66Å; V22-Y65 HydrophobicContact CG2-CE1 4.23Å; V22-Y65 CarbonylContact O-C 3.47Å; V22-Y65 VanDerWaalsContact O-CA 3.3Å; V22-Y65 WeakPolarHBondContact O-CA 3.35Å; V22-F66 PolarHBondContact O-N 3.15Å; V22-Y86 HydrophobicContact CG2-CE2 4.49Å
23Y97.4Very high86.6Confident28 Ų2849.8 Ų49.811%0.1125%0.25CS..EExtended strand (participates in β ladder)trans-134.9158.1175.649.3-114.4000111.5L21 M28 L31 H48 L49 Q50 L51 F66L21-Y23 HydrophobicContact CD2-CD1 3.91Å; L21-Y23 HydrophobicContact CD2-CE1 4.13Å; L21-Y23 HydrophobicContact CG-CD1 3.86Å; L21-Y23 HydrophobicContact CG-CE1 4.36Å; Y23-M28 HydrophobicContact CD2-CB 3.71Å; Y23-M28 HydrophobicContact CD2-CG 4.37Å; Y23-M28 HydrophobicContact CE2-CB 3.7Å; Y23-M28 HydrophobicContact CE2-CG 3.83Å; Y23-M28 HydrophobicContact CE2-SD 4.32Å; Y23-L31 HydrophobicContact CD1-CD1 4.07Å; Y23-H48 HydrophobicContact CE1-CB 3.84Å; Y23-H48 PolarHBondContact OH-CD2 3.46Å; Y23-L49 PolarHBondContact N-O 3.44Å; Y23-Q50 HydrophobicContact CD2-CG 4.48Å; Y23-Q50 HydrophobicContact CE2-CG 4.06Å; Y23-Q50 CarbonylContact O-C 3.58Å; Y23-Q50 VanDerWaalsContact O-CA 3.27Å; Y23-Q50 WeakPolarHBondContact O-CA 3.46Å; Y23-L51 PolarHBondContact O-N 3.23Å; Y23-F66 WeakPolarHBondContact CA-O 3.43Å; Y23-F66 VanDerWaalsContact CB-O 3.26Å; Y23-F66 WeakPolarHBondContact CB-O 3.15Å
24D96.9Very high88.6Confident21 Ų2148.6 Ų48.611%0.11224%0.235CC..  trans-90.6-173167.665.47.4000110.6T26 G27 M28 V67 A68D24-T26 VanDerWaalsContact C-N 3.29Å; D24-T26 PolarHBondContact O-N 3.18Å; D24-T26 PolarHBondContact OD1-N 3.36Å; D24-G27 PolarHBondContact O-N 3.48Å; D24-G27 PolarHBondContact OD1-N 3.47Å; D24-M28 WeakPolarHBondContact O-CB 3.47Å; D24-M28 PolarHBondContact O-N 3.07Å; D24-V67 HydrophobicContact CB-CG1 4.37Å; D24-A68 WeakPolarHBondContact OD2-CB 3.4Å; D24-A68 PolarHBondContact OD2-N 3.18Å
25K95.1Very high90.4Very high122 Ų12247.7 Ų47.753%0.5323%0.231SC..Hα-helixtrans-60.9-38.4179.5-173.8170.4-179.4174.60112.2M28 D29K25-M28 WeakPolarHBondContact O-CB 3.43Å; K25-M28 PolarHBondContact O-N 3.5Å; K25-D29 VanDerWaalsContact O-CG 3.25Å; K25-D29 PolarHBondContact O-N 2.93Å
26T95.1Very high91.9Very high63 Ų6344 Ų4439%0.38721%0.214SC..Hα-helixtrans-69.8-42.4179-57.30000111.4D24 M28 D29 I30 I94D24-T26 VanDerWaalsContact C-N 3.29Å; D24-T26 PolarHBondContact O-N 3.18Å; D24-T26 PolarHBondContact OD1-N 3.36Å; T26-M28 VanDerWaalsContact C-N 3.3Å; T26-M28 PolarHBondContact O-N 3.05Å; T26-D29 PolarHBondContact O-N 2.95Å; T26-I30 HydrophobicContact CG2-CD1 4.04Å; T26-I30 WeakPolarHBondContact O-CD1 3.37Å; T26-I30 VanDerWaalsContact O-CG1 3.3Å; T26-I30 WeakPolarHBondContact O-CG1 3.38Å; T26-I30 PolarHBondContact O-N 2.96Å; T26-I30 VanDerWaalsContact O-N 3.09Å; T26-I94 HydrophobicContact CG2-CD1 3.92Å
27G96.7Very high93.1Very high0 Ų045.5 Ų45.50%022%0.222CC..Hα-helixtrans-62.2-38.2174.100000112.4D24 I30 L31D24-G27 PolarHBondContact O-N 3.48Å; D24-G27 PolarHBondContact OD1-N 3.47Å; G27-I30 PolarHBondContact O-N 2.98Å; G27-L31 WeakPolarHBondContact O-CB 3.48Å; G27-L31 VanDerWaalsContact O-CG 3.29Å; G27-L31 WeakPolarHBondContact O-CG 3.34Å; G27-L31 PolarHBondContact O-N 3.44Å
28M95.6Very high93.7Very high55 Ų5544.7 Ų44.727%0.27122%0.218SC..Hα-helixtrans-61.3-49.9173.4-172.8-176.576.300111.6Y23 D24 K25 T26 I30 L31 S32 Q50Y23-M28 HydrophobicContact CD2-CB 3.71Å; Y23-M28 HydrophobicContact CD2-CG 4.37Å; Y23-M28 HydrophobicContact CE2-CB 3.7Å; Y23-M28 HydrophobicContact CE2-CG 3.83Å; Y23-M28 HydrophobicContact CE2-SD 4.32Å; D24-M28 WeakPolarHBondContact O-CB 3.47Å; D24-M28 PolarHBondContact O-N 3.07Å; K25-M28 WeakPolarHBondContact O-CB 3.43Å; K25-M28 PolarHBondContact O-N 3.5Å; T26-M28 VanDerWaalsContact C-N 3.3Å; T26-M28 PolarHBondContact O-N 3.05Å; M28-I30 PolarHBondContact O-N 2.9Å; M28-L31 PolarHBondContact O-N 3.46Å; M28-S32 WeakPolarHBondContact O-CB 3.48Å; M28-S32 PolarHBondContact O-N 3.16Å; M28-Q50 PolarHBondContact SD-NE2 3.18Å; M28-Q50 VanDerWaalsContact SD-NE2 3.4Å
29D96Very high93.7Very high14 Ų1440.1 Ų40.18%0.07520%0.204CC..Hα-helixtrans-61.5-31.2-179.2-68.9-11.2000112.1K25 T26 P33 I129 R140 L265K25-D29 VanDerWaalsContact O-CG 3.25Å; K25-D29 PolarHBondContact O-N 2.93Å; T26-D29 PolarHBondContact O-N 2.95Å; D29-P33 WeakPolarHBondContact O-CD 3.36Å; D29-I129 HydrophobicContact CB-CD1 3.8Å; D29-I129 HydrophobicContact CB-CG1 4.42Å; D29-I129 WeakPolarHBondContact O-CG2 3.42Å; D29-R140 IonicContact OD1-NE 2.6Å; D29-R140 IonicContact OD2-NE 3.81Å; D29-L265 HydrophobicContact CB-CD1 4.03Å
30I96.5Very high93.6Very high7 Ų740.6 Ų40.64%0.03621%0.206CC..Hα-helixtrans-76.1-41.4175.8-66.2159.7000111.8T26 G27 M28 P33 L34 F66 I94 M126 I129T26-I30 HydrophobicContact CG2-CD1 4.04Å; T26-I30 WeakPolarHBondContact O-CD1 3.37Å; T26-I30 VanDerWaalsContact O-CG1 3.3Å; T26-I30 WeakPolarHBondContact O-CG1 3.38Å; T26-I30 PolarHBondContact O-N 2.96Å; T26-I30 VanDerWaalsContact O-N 3.09Å; G27-I30 PolarHBondContact O-N 2.98Å; M28-I30 PolarHBondContact O-N 2.9Å; I30-P33 WeakPolarHBondContact O-CD 3.4Å; I30-L34 WeakPolarHBondContact O-CD1 3.45Å; I30-F66 HydrophobicContact CB-CE1 4.15Å; I30-F66 HydrophobicContact CD1-CE1 4.29Å; I30-F66 HydrophobicContact CD1-CZ 4.12Å; I30-F66 HydrophobicContact CG2-CE1 4.08Å; I30-F66 HydrophobicContact CG2-CZ 4.14Å; I30-I94 HydrophobicContact CD1-CD1 3.96Å; I30-I94 HydrophobicContact CD1-CG1 4.26Å; I30-I94 HydrophobicContact CD1-CG2 3.74Å; I30-M126 WeakPolarHBondContact CD1-O 3.16Å; I30-I129 HydrophobicContact CG1-CG1 3.91Å
31L94.7Very high93.3Very high12 Ų1247.6 Ų47.66%0.06323%0.233CC..Hα-helixtrans-81.5-32.2-173.6-69.6177.5000113.2L21 Y23 G27 M28 P33 L34 F35 F66L21-L31 HydrophobicContact CD2-CD1 3.87Å; Y23-L31 HydrophobicContact CD1-CD1 4.07Å; G27-L31 WeakPolarHBondContact O-CB 3.48Å; G27-L31 VanDerWaalsContact O-CG 3.29Å; G27-L31 WeakPolarHBondContact O-CG 3.34Å; G27-L31 PolarHBondContact O-N 3.44Å; M28-L31 PolarHBondContact O-N 3.46Å; L31-P33 VanDerWaalsContact C-CD 3.5Å; L31-L34 PolarHBondContact O-N 2.87Å; L31-F35 HydrophobicContact CD2-CD2 3.88Å; L31-F35 HydrophobicContact CD2-CE2 3.86Å; L31-F35 PolarHBondContact O-N 3.25Å; L31-F66 HydrophobicContact CD1-CD1 3.68Å; L31-F66 HydrophobicContact CD1-CE1 4.23Å; L31-F66 HydrophobicContact CD2-CD1 4.29Å; L31-F66 HydrophobicContact CD2-CE1 4.15Å; L31-F66 HydrophobicContact CG-CD1 3.84Å; L31-F66 HydrophobicContact CG-CE1 3.86Å
32S92.6Very high92.9Very high31 Ų3152.5 Ų52.522%0.21726%0.259CS..THydrogen-bonded Turntrans-60.2-37.1-172.474.70000114.7M28 L34M28-S32 WeakPolarHBondContact O-CB 3.48Å; M28-S32 PolarHBondContact O-N 3.16Å; S32-L34 VanDerWaalsContact C-N 3.3Å
33P92.8Very high92.4Very high11 Ų1156.7 Ų56.77%0.07128%0.275CS..THydrogen-bonded Turntrans-77.1-19.4177-14.232.2000112.8D29 I30 L31 I129 T130 L131 L265 V284D29-P33 WeakPolarHBondContact O-CD 3.36Å; I30-P33 WeakPolarHBondContact O-CD 3.4Å; L31-P33 VanDerWaalsContact C-CD 3.5Å; P33-I129 HydrophobicContact CG-CG2 3.89Å; P33-T130 WeakPolarHBondContact CB-O 3.5Å; P33-L131 HydrophobicContact CB-CD2 4.1Å; P33-L131 HydrophobicContact CG-CD2 3.9Å; P33-L265 HydrophobicContact CG-CB 4.22Å; P33-L265 HydrophobicContact CG-CD2 4.22Å; P33-V284 WeakPolarHBondContact O-CG2 3.27Å
34L91.2Very high92Very high76 Ų7655.4 Ų55.440%0.39827%0.27SS..THydrogen-bonded Turntrans-95.5-30.8-170.7-63.5179.7000113.6I30 L31 S32I30-L34 WeakPolarHBondContact O-CD1 3.45Å; L31-L34 PolarHBondContact O-N 2.87Å; S32-L34 VanDerWaalsContact C-N 3.3Å
35F89.9Confident91.9Very high57 Ų5754.5 Ų54.525%0.2527%0.265CS..  trans-132.6129.8-175-61.5-82.4000112.1L2 L31 E39 L40 Y43L2-F35 HydrophobicContact CD1-CE1 4.22Å; L2-F35 HydrophobicContact CD1-CE2 4.49Å; L2-F35 HydrophobicContact CD1-CZ 4.12Å; L31-F35 HydrophobicContact CD2-CD2 3.88Å; L31-F35 HydrophobicContact CD2-CE2 3.86Å; L31-F35 PolarHBondContact O-N 3.25Å; F35-E39 HydrophobicContact CD1-CB 4.32Å; F35-L40 HydrophobicContact CB-CD2 3.87Å; F35-L40 HydrophobicContact CB-CG 3.89Å; F35-L40 HydrophobicContact CD1-CD2 4.43Å; F35-L40 HydrophobicContact CD2-CD2 4.46Å; F35-L40 HydrophobicContact CG-CD2 4.02Å; F35-Y43 HydrophobicContact CD1-CD2 4.37Å; F35-Y43 HydrophobicContact CD1-CE2 4.12Å; F35-Y43 HydrophobicContact CE1-CD2 4.18Å; F35-Y43 AromaticContact CE1-CE2 3.75Å; F35-Y43 HydrophobicContact CE1-CE2 3.75Å
36T87.6Confident91.7Very high58 Ų5852 Ų5236%0.35626%0.261SS..  trans-74.7158.5162.864.90000110.9K38 E39 L40T36-K38 PolarHBondContact O-N 3.33Å; T36-E39 WeakPolarHBondContact CB-OE2 3.38Å; T36-E39 PolarHBondContact N-OE2 3.13Å; T36-E39 PolarHBondContact O-N 3.4Å; T36-E39 VanDerWaalsContact O-N 3.11Å; T36-E39 VanDerWaalsContact OG1-CD 3.3Å; T36-E39 VanDerWaalsContact OG1-CG 3.29Å; T36-E39 WeakPolarHBondContact OG1-CG 3.23Å; T36-E39 PolarHBondContact OG1-N 3Å; T36-E39 VanDerWaalsContact OG1-N 3.13Å; T36-E39 PolarHBondContact OG1-OE2 3.38Å; T36-L40 PolarHBondContact O-N 2.95Å
37V88.1Confident91.7Very high76 Ų7652.6 Ų52.646%0.46126%0.261SS..Hα-helixtrans-60-27.7173.6-179.30000111.8R41V37-R41 WeakPolarHBondContact O-CG 3.47Å; V37-R41 PolarHBondContact O-N 3.03Å; V37-R41 PolarHBondContact O-NE 3.23Å; V37-R41 VanDerWaalsContact O-NE 3.13Å
38K87.3Confident91.6Very high139 Ų13955.7 Ų55.760%0.60428%0.275SS*.Hα-helixtrans-68.2-50.7173.9-176.1-176.2171.7-172.10110.6T36 L40 R41 D42T36-K38 PolarHBondContact O-N 3.33Å; K38-L40 VanDerWaalsContact C-N 3.35Å; K38-L40 PolarHBondContact O-N 3.41Å; K38-R41 WeakPolarHBondContact O-CA 3.36Å; K38-R41 WeakPolarHBondContact O-CB 3.29Å; K38-R41 PolarHBondContact O-N 3.18Å; K38-R41 VanDerWaalsContact O-N 3.07Å; K38-D42 VanDerWaalsContact O-CG 3.31Å; K38-D42 PolarHBondContact O-N 3.01Å
39E89Confident91.6Very high69 Ų6954.8 Ų54.832%0.32227%0.272SS..Hα-helixtrans-62-41179.9-71.9159.9150.900112.1F35 T36 R41 D42 Y43F35-E39 HydrophobicContact CD1-CB 4.32Å; T36-E39 WeakPolarHBondContact CB-OE2 3.38Å; T36-E39 PolarHBondContact N-OE2 3.13Å; T36-E39 PolarHBondContact O-N 3.4Å; T36-E39 VanDerWaalsContact O-N 3.11Å; T36-E39 VanDerWaalsContact OG1-CD 3.3Å; T36-E39 VanDerWaalsContact OG1-CG 3.29Å; T36-E39 WeakPolarHBondContact OG1-CG 3.23Å; T36-E39 PolarHBondContact OG1-N 3Å; T36-E39 VanDerWaalsContact OG1-N 3.13Å; T36-E39 PolarHBondContact OG1-OE2 3.38Å; E39-R41 VanDerWaalsContact C-N 3.27Å; E39-R41 PolarHBondContact O-N 3.38Å; E39-D42 WeakPolarHBondContact O-CB 3.35Å; E39-D42 PolarHBondContact O-N 3.08Å; E39-D42 VanDerWaalsContact O-N 3.12Å; E39-Y43 WeakPolarHBondContact O-CD2 3.48Å; E39-Y43 PolarHBondContact O-N 3.23Å
40L91.7Very high91.6Very high13 Ų1358.4 Ų58.47%0.06829%0.288CS..Hα-helixtrans-56.7-42.4173.9-72178.8000111.9L2 L21 F35 T36 K38 Y43 G44 V45L2-L40 HydrophobicContact CD1-CD2 4.02Å; L21-L40 HydrophobicContact CD2-CD2 4.34Å; F35-L40 HydrophobicContact CB-CD2 3.87Å; F35-L40 HydrophobicContact CB-CG 3.89Å; F35-L40 HydrophobicContact CD1-CD2 4.43Å; F35-L40 HydrophobicContact CD2-CD2 4.46Å; F35-L40 HydrophobicContact CG-CD2 4.02Å; T36-L40 PolarHBondContact O-N 2.95Å; K38-L40 VanDerWaalsContact C-N 3.35Å; K38-L40 PolarHBondContact O-N 3.41Å; L40-Y43 PolarHBondContact O-N 3.42Å; L40-G44 PolarHBondContact O-N 3.33Å; L40-V45 HydrophobicContact CB-CB 4.23Å; L40-V45 VanDerWaalsContact O-CB 3.26Å; L40-V45 WeakPolarHBondContact O-CB 3.34Å; L40-V45 PolarHBondContact O-N 3.43Å
41R90.8Very high91.6Very high148 Ų14858.7 Ų58.756%0.55829%0.289SS*.Hα-helixtrans-65.9-40175.7-77.1-177.4-79.1179.1-6.4112V37 K38 E39 Y43 G44V37-R41 WeakPolarHBondContact O-CG 3.47Å; V37-R41 PolarHBondContact O-N 3.03Å; V37-R41 PolarHBondContact O-NE 3.23Å; V37-R41 VanDerWaalsContact O-NE 3.13Å; K38-R41 WeakPolarHBondContact O-CA 3.36Å; K38-R41 WeakPolarHBondContact O-CB 3.29Å; K38-R41 PolarHBondContact O-N 3.18Å; K38-R41 VanDerWaalsContact O-N 3.07Å; E39-R41 VanDerWaalsContact C-N 3.27Å; E39-R41 PolarHBondContact O-N 3.38Å; R41-Y43 PolarHBondContact O-N 3.44Å; R41-G44 WeakPolarHBondContact O-CA 3.5Å; R41-G44 PolarHBondContact O-N 3.18Å
42D87.7Confident91.6Very high102 Ų10262.9 Ų62.955%0.54533%0.326SS..Hα-helixtrans-62.3-28.6175.3-63-21.6000111.6K38 E39 G44K38-D42 VanDerWaalsContact O-CG 3.31Å; K38-D42 PolarHBondContact O-N 3.01Å; E39-D42 WeakPolarHBondContact O-CB 3.35Å; E39-D42 PolarHBondContact O-N 3.08Å; E39-D42 VanDerWaalsContact O-N 3.12Å; D42-G44 VanDerWaalsContact C-N 3.29Å; D42-G44 PolarHBondContact O-N 3.06Å
43Y87.6Confident91.6Very high89 Ų8963.6 Ų63.635%0.34933%0.331SS..THydrogen-bonded Turntrans-82.64.4171.4-72-66.5000114.8L2 K19 F35 E39 L40 R41L2-Y43 HydrophobicContact CD1-CD2 4.28Å; L2-Y43 HydrophobicContact CD1-CG 4.36Å; K19-Y43 WeakPolarHBondContact CE-O 3.35Å; K19-Y43 PolarHBondContact NZ-O 3.22Å; F35-Y43 HydrophobicContact CD1-CD2 4.37Å; F35-Y43 HydrophobicContact CD1-CE2 4.12Å; F35-Y43 HydrophobicContact CE1-CD2 4.18Å; F35-Y43 AromaticContact CE1-CE2 3.75Å; F35-Y43 HydrophobicContact CE1-CE2 3.75Å; E39-Y43 WeakPolarHBondContact O-CD2 3.48Å; E39-Y43 PolarHBondContact O-N 3.23Å; L40-Y43 PolarHBondContact O-N 3.42Å; R41-Y43 PolarHBondContact O-N 3.44Å
44G90Very high91.6Very high0 Ų072.5 Ų72.50%037%0.371CS..THydrogen-bonded Turntrans85.112.5178.500000115.1W18 K19 L40 R41 D42 T46W18-G44 WeakPolarHBondContact CA-O 3.45Å; K19-G44 PolarHBondContact N-O 3.17Å; L40-G44 PolarHBondContact O-N 3.33Å; R41-G44 WeakPolarHBondContact O-CA 3.5Å; R41-G44 PolarHBondContact O-N 3.18Å; D42-G44 VanDerWaalsContact C-N 3.29Å; D42-G44 PolarHBondContact O-N 3.06Å; G44-T46 PolarHBondContact O-N 2.94Å
45V94.1Very high91.7Very high2 Ų270.5 Ų70.51%0.01236%0.359CS..EExtended strand (participates in β ladder)trans-79.7105.6173-1770000108.7L2 K19 L21 L40 L47 H48L2-V45 HydrophobicContact CD2-CG2 4.13Å; K19-V45 HydrophobicContact CD-CG2 4.36Å; K19-V45 HydrophobicContact CG-CG2 4.12Å; K19-V45 WeakPolarHBondContact O-CA 3.46Å; L21-V45 HydrophobicContact CB-CG1 3.58Å; L21-V45 HydrophobicContact CB-CG2 4.39Å; L21-V45 HydrophobicContact CD2-CG1 4.5Å; L40-V45 HydrophobicContact CB-CB 4.23Å; L40-V45 VanDerWaalsContact O-CB 3.26Å; L40-V45 WeakPolarHBondContact O-CB 3.34Å; L40-V45 PolarHBondContact O-N 3.43Å; V45-L47 WeakPolarHBondContact CG1-O 3.3Å; V45-H48 HydrophobicContact CG1-CB 4.38Å
46T91.3Very high91.8Very high71 Ų7174.3 Ų74.344%0.43638%0.382SS..EExtended strand (participates in β ladder)trans-78.3-38.7179.248.60000112.1W18 K19 G44W18-T46 HydrophobicContact CB-CG2 3.8Å; W18-T46 HydrophobicContact CD2-CG2 3.57Å; W18-T46 HydrophobicContact CE3-CG2 3.1Å; W18-T46 HydrophobicContact CG-CG2 3.92Å; W18-T46 HydrophobicContact CZ3-CG2 3.79Å; K19-T46 PolarHBondContact O-N 3.42Å; K19-T46 PolarHBondContact O-OG1 3.23Å; G44-T46 PolarHBondContact O-N 2.94Å
47L94.1Very high92.1Very high75 Ų7575.2 Ų75.239%0.39339%0.389SS..EExtended strand (participates in β ladder)trans-138.8136.2-176.6-169.266.5000109.2I20 L21 V45 L49 L58I20-L47 WeakPolarHBondContact CA-O 3.32Å; I20-L47 HydrophobicContact CG1-CB 4.46Å; L21-L47 PolarHBondContact N-O 3.03Å; V45-L47 WeakPolarHBondContact CG1-O 3.3Å; L47-L49 HydrophobicContact CD1-CD2 4.4Å; L47-L49 HydrophobicContact CD2-CD1 3.64Å; L47-L49 HydrophobicContact CD2-CD2 4.05Å; L47-L49 HydrophobicContact CD2-CG 3.96Å; L47-L49 HydrophobicContact CG-CD1 4.1Å; L47-L49 HydrophobicContact CG-CD2 4.07Å; L47-L49 HydrophobicContact CG-CG 3.91Å; L47-L58 HydrophobicContact CD2-CD1 4.44Å
48H94.8Very high92.3Very high64 Ų6474.9 Ų74.930%0.29638%0.384SS..EExtended strand (participates in β ladder)trans-122.2133.2171.555.3-91.8000109.8L21 Y23 V45L21-H48 HydrophobicContact CB-CB 4.26Å; L21-H48 CarbonylContact O-C 3.55Å; L21-H48 WeakPolarHBondContact O-CA 3.35Å; Y23-H48 HydrophobicContact CE1-CB 3.84Å; Y23-H48 PolarHBondContact OH-CD2 3.46Å; V45-H48 HydrophobicContact CG1-CB 4.38Å
49L95.9Very high92.5Very high37 Ų3771.7 Ų71.719%0.19438%0.377CS..EExtended strand (participates in β ladder)trans-136.4149.1-169.5-63.2164.1000110.4I20 L21 V22 Y23 L47 R55I20-L49 HydrophobicContact CG2-CD1 4.13Å; L21-L49 PolarHBondContact O-N 3.24Å; V22-L49 WeakPolarHBondContact CA-O 3.25Å; V22-L49 HydrophobicContact CG2-CB 4.44Å; Y23-L49 PolarHBondContact N-O 3.44Å; L47-L49 HydrophobicContact CD1-CD2 4.4Å; L47-L49 HydrophobicContact CD2-CD1 3.64Å; L47-L49 HydrophobicContact CD2-CD2 4.05Å; L47-L49 HydrophobicContact CD2-CG 3.96Å; L47-L49 HydrophobicContact CG-CD1 4.1Å; L47-L49 HydrophobicContact CG-CD2 4.07Å; L47-L49 HydrophobicContact CG-CG 3.91Å; L49-R55 HydrophobicContact CB-CG 4.35Å; L49-R55 HydrophobicContact CD1-CB 4.44Å; L49-R55 HydrophobicContact CD1-CG 4Å
50Q96.1Very high92.7Very high89 Ų8975.3 Ų75.342%0.41640%0.399SS..EExtended strand (participates in β ladder)trans-78.4139.1169.8-70.8-170.6-11.800110.3Y23 M28 A52 S53Y23-Q50 HydrophobicContact CD2-CG 4.48Å; Y23-Q50 HydrophobicContact CE2-CG 4.06Å; Y23-Q50 CarbonylContact O-C 3.58Å; Y23-Q50 VanDerWaalsContact O-CA 3.27Å; Y23-Q50 WeakPolarHBondContact O-CA 3.46Å; M28-Q50 PolarHBondContact SD-NE2 3.18Å; M28-Q50 VanDerWaalsContact SD-NE2 3.4Å; Q50-A52 PolarHBondContact O-N 3.44Å; Q50-S53 PolarHBondContact O-N 3.08Å; Q50-S53 PolarHBondContact O-OG 3.46Å
51L96.7Very high92.8Very high13 Ų1376.4 Ų76.47%0.06841%0.406CS..THydrogen-bonded Turntrans-56.5-34.4177.3-174.169.7000112.2V22 Y23 S53 R55 Y65 V67 T73 A76V22-L51 HydrophobicContact CG1-CB 3.99Å; V22-L51 HydrophobicContact CG1-CD1 3.71Å; V22-L51 HydrophobicContact CG1-CG 4.49Å; Y23-L51 PolarHBondContact O-N 3.23Å; L51-S53 VanDerWaalsContact C-N 3.34Å; L51-R55 PolarHBondContact O-NH2 3.26Å; L51-Y65 HydrophobicContact CD1-CD1 4.04Å; L51-Y65 HydrophobicContact CD1-CE1 3.8Å; L51-V67 HydrophobicContact CD2-CG1 4.1Å; L51-T73 HydrophobicContact CD2-CG2 3.85Å; L51-A76 HydrophobicContact CD1-CB 4.02Å; L51-A76 HydrophobicContact CD2-CB 4.01Å; L51-A76 HydrophobicContact CG-CB 3.9Å
52A93.5Very high93Very high100 Ų10070.1 Ų70.183%0.82638%0.384SS*.THydrogen-bonded Turntrans-78.2-12.718000000114.2Q50Q50-A52 PolarHBondContact O-N 3.44Å
53S94.2Very high93.4Very high46 Ų4665.2 Ų65.232%0.32236%0.358SS..SBendtrans-76.5156.4178.8760000110.8Q50 L51 R55Q50-S53 PolarHBondContact O-N 3.08Å; Q50-S53 PolarHBondContact O-OG 3.46Å; L51-S53 VanDerWaalsContact C-N 3.34Å; S53-R55 WeakPolarHBondContact O-CG 3.31Å
54Q91.5Very high93.9Very high198 Ų19861 Ų6193%0.92534%0.342SS*.  trans-67.3137.3162-68.5-159.2-6.500108.9
55R94.4Very high94.3Very high34 Ų3461 Ų6113%0.12834%0.342CS..  trans-133.8127.8-171.5-64.7172.6-80.2145.64.2108.2L49 L51 S53 Y65 D80 L85L49-R55 HydrophobicContact CB-CG 4.35Å; L49-R55 HydrophobicContact CD1-CB 4.44Å; L49-R55 HydrophobicContact CD1-CG 4Å; L51-R55 PolarHBondContact O-NH2 3.26Å; S53-R55 WeakPolarHBondContact O-CG 3.31Å; R55-Y65 PolarHBondContact NH1-OH 3.34Å; R55-D80 IonicContact CZ-OD1 3.54Å; R55-D80 IonicContact CZ-OD2 3.5Å; R55-D80 IonicContact NH1-OD1 3.99Å; R55-D80 IonicContact NH1-OD2 3.41Å; R55-D80 PolarHBondContact NH1-OD2 3.15Å; R55-D80 IonicContact NH2-OD1 3.96Å; R55-D80 PolarHBondContact NH2-OD1 3.15Å; R55-D80 IonicContact NH2-OD2 3.6Å; R55-D80 PolarHBondContact NH2-OD2 3.45Å; R55-L85 HydrophobicContact CB-CD2 4.2Å
56D92Very high94.4Very high137 Ų13760.9 Ų60.973%0.73334%0.341SS*.  trans-75.1143178.1-65-46.2000110.8L58D56-L58 PolarHBondContact O-N 3.41Å
57P92.8Very high94.8Very high78 Ų7857.5 Ų57.551%0.50632%0.32SS..  trans-62.5129.9174.9-20.932.4000111.7
58L93.8Very high94.9Very high69 Ų6955 Ų5536%0.36131%0.31SS..EExtended strand (participates in β ladder)trans-129.572.9173.6-67.2170.4000109.5I20 L47 D56 D60 V61 L85 Y86I20-L58 HydrophobicContact CD1-CB 3.89Å; I20-L58 HydrophobicContact CD1-CD1 3.41Å; I20-L58 VanDerWaalsContact CD1-CD1 3.41Å; I20-L58 HydrophobicContact CD1-CG 4.27Å; I20-L58 HydrophobicContact CG1-CD1 4.47Å; L47-L58 HydrophobicContact CD2-CD1 4.44Å; D56-L58 PolarHBondContact O-N 3.41Å; L58-D60 PolarHBondContact O-N 2.84Å; L58-D60 VanDerWaalsContact O-N 3.08Å; L58-V61 HydrophobicContact CB-CB 4.5Å; L58-V61 HydrophobicContact CB-CG2 4.46Å; L58-V61 PolarHBondContact O-N 3.34Å; L58-L85 CarbonylContact C-O 3.52Å; L58-L85 WeakPolarHBondContact CA-O 3.41Å; L58-L85 PolarHBondContact N-O 3.08Å; L58-Y86 HydrophobicContact CB-CD1 4.29Å; L58-Y86 HydrophobicContact CB-CE1 4.42Å
59P91.3Very high94.9Very high72 Ų7253.2 Ų53.247%0.46830%0.304SS..EExtended strand (participates in β ladder)trans-66.5-13.1-169.5-20.734.2000115.2E87P59-E87 WeakPolarHBondContact O-CA 3.49Å; P59-E87 WeakPolarHBondContact O-CB 3.33Å; P59-E87 PolarHBondContact O-N 2.95Å
60D91.8Very high94.8Very high145 Ų14553.1 Ų53.178%0.77531%0.307SS*.EExtended strand (participates in β ladder)trans-99.75.1-178.2-57.2-45.4000113.1L58L58-D60 PolarHBondContact O-N 2.84Å; L58-D60 VanDerWaalsContact O-N 3.08Å
61V94.1Very high94.8Very high35 Ų3556.6 Ų56.621%0.21232%0.316CS..EExtended strand (participates in β ladder)trans-123.5132.1-176.1-1710000110.8I20 L58 E87I20-V61 HydrophobicContact CD1-CB 4.02Å; I20-V61 HydrophobicContact CD1-CG1 3.93Å; I20-V61 HydrophobicContact CG1-CB 4.48Å; I20-V61 HydrophobicContact CG1-CG1 3.82Å; L58-V61 HydrophobicContact CB-CB 4.5Å; L58-V61 HydrophobicContact CB-CG2 4.46Å; L58-V61 PolarHBondContact O-N 3.34Å; V61-E87 PolarHBondContact O-N 3.19Å; V61-E87 VanDerWaalsContact O-N 3.08Å
62P95.1Very high94.7Very high16 Ų1661.9 Ų61.910%0.10434%0.341CS..EExtended strand (participates in β ladder)trans-71.1143.3174.529.3-36000111.7F4 W18 K19 I20 S88 F90F4-P62 HydrophobicContact CE1-CB 3.97Å; F4-P62 HydrophobicContact CE1-CG 4.14Å; F4-P62 HydrophobicContact CZ-CB 4.21Å; F4-P62 HydrophobicContact CZ-CG 3.87Å; W18-P62 WeakPolarHBondContact O-CD 3.46Å; W18-P62 WeakPolarHBondContact O-CG 3.46Å; K19-P62 WeakPolarHBondContact CA-O 3.47Å; K19-P62 HydrophobicContact CB-CG 4.2Å; I20-P62 PolarHBondContact N-O 3.08Å; P62-S88 WeakPolarHBondContact CB-OG 3.36Å; P62-F90 HydrophobicContact CB-CE2 4.28Å
63C96.5Very high94.9Very high0 Ų057.4 Ų57.40%030%0.303CS..EExtended strand (participates in β ladder)trans-118.3129.8179.9-173.50000112.1I20 V22 Y65 Y86 S88 F90I20-C63 HydrophobicContact CB-CB 4.41Å; I20-C63 CarbonylContact O-C 3.45Å; I20-C63 WeakPolarHBondContact O-CA 3.48Å; V22-C63 VanDerWaalsContact CG2-SG 3.51Å; C63-Y65 HydrophobicContact CB-CE2 3.99Å; C63-Y65 WeakPolarHBondContact SG-CE2 3.14Å; C63-Y86 HydrophobicContact CB-CD1 3.92Å; C63-Y86 HydrophobicContact CB-CD2 3.44Å; C63-Y86 VanDerWaalsContact CB-CD2 3.44Å; C63-Y86 HydrophobicContact CB-CE1 4.43Å; C63-Y86 HydrophobicContact CB-CE2 3.99Å; C63-Y86 HydrophobicContact CB-CG 3.4Å; C63-S88 PolarHBondContact N-O 3.45Å; C63-F90 PolarHBondContact O-N 2.85Å
64I97.2Very high95Very high0 Ų055.5 Ų55.50%029%0.289CS..EExtended strand (participates in β ladder)trans-99.8120.7170.8-59.9-176.4000108.1M1 L2 F4 K19 I20 L21 V22 F90M1-I64 HydrophobicContact CG-CG2 4.16Å; M1-I64 HydrophobicContact SD-CG2 4.45Å; L2-I64 WeakPolarHBondContact O-CD1 3.38Å; F4-I64 HydrophobicContact CD1-CD1 3.95Å; F4-I64 HydrophobicContact CD1-CG1 4.07Å; F4-I64 HydrophobicContact CE1-CD1 4.04Å; F4-I64 HydrophobicContact CE1-CG1 4.02Å; K19-I64 HydrophobicContact CD-CD1 3.53Å; K19-I64 HydrophobicContact CD-CG1 4.31Å; K19-I64 HydrophobicContact CG-CD1 4.27Å; I20-I64 PolarHBondContact O-N 2.95Å; L21-I64 CarbonylContact C-O 3.59Å; L21-I64 WeakPolarHBondContact CA-O 3.48Å; L21-I64 HydrophobicContact CD1-CB 4.3Å; L21-I64 HydrophobicContact CD1-CG2 4.09Å; V22-I64 PolarHBondContact N-O 2.87Å; I64-F90 HydrophobicContact CG1-CB 4.17Å
65Y98.1Very high95.2Very high0 Ų050.7 Ų50.70%027%0.266CS..EExtended strand (participates in β ladder)trans-95.5130.9170.7-71.6-99.8000109.3V22 L51 R55 C63 L77 D80 Y86 Y89 F90 L91 N92V22-Y65 HydrophobicContact CB-CD1 3.75Å; V22-Y65 HydrophobicContact CB-CE1 3.81Å; V22-Y65 HydrophobicContact CB-CG 4.33Å; V22-Y65 HydrophobicContact CG1-CD1 3.71Å; V22-Y65 HydrophobicContact CG1-CE1 3.66Å; V22-Y65 HydrophobicContact CG2-CE1 4.23Å; V22-Y65 CarbonylContact O-C 3.47Å; V22-Y65 VanDerWaalsContact O-CA 3.3Å; V22-Y65 WeakPolarHBondContact O-CA 3.35Å; L51-Y65 HydrophobicContact CD1-CD1 4.04Å; L51-Y65 HydrophobicContact CD1-CE1 3.8Å; R55-Y65 PolarHBondContact NH1-OH 3.34Å; C63-Y65 HydrophobicContact CB-CE2 3.99Å; C63-Y65 WeakPolarHBondContact SG-CE2 3.14Å; Y65-L77 HydrophobicContact CD1-CD2 3.29Å; Y65-L77 HydrophobicContact CD2-CD2 4.2Å; Y65-L77 HydrophobicContact CE1-CD2 3.35Å; Y65-L77 HydrophobicContact CE2-CD2 4.29Å; Y65-L77 HydrophobicContact CG-CD2 3.71Å; Y65-D80 PolarHBondContact OH-OD2 2.97Å; Y65-Y86 HydrophobicContact CE2-CD2 4.32Å; Y65-Y86 HydrophobicContact CE2-CE2 4.44Å; Y65-Y86 WeakPolarHBondContact OH-CD2 3.4Å; Y65-Y86 WeakPolarHBondContact OH-CE2 3.39Å; Y65-Y89 AromaticContact CE2-CD1 3.65Å; Y65-Y89 HydrophobicContact CE2-CD1 3.65Å; Y65-Y89 HydrophobicContact CE2-CE1 4.38Å; Y65-F90 PolarHBondContact N-O 3.19Å; Y65-L91 HydrophobicContact CD2-CD2 3.9Å; Y65-L91 HydrophobicContact CG-CD2 4.17Å; Y65-N92 WeakPolarHBondContact O-CA 3.33Å; Y65-N92 WeakPolarHBondContact O-CB 3.43Å; Y65-N92 PolarHBondContact O-N 3.43Å; Y65-N92 PolarHBondContact O-ND2 2.9Å
66F98Very high95.3Very high0 Ų050.1 Ų50.10%027%0.269CS..EExtended strand (participates in β ladder)trans-127.294.7171.6-177.4-124.5000110M1 L21 V22 Y23 I30 L31 N92 I94 Q124 M126M1-F66 HydrophobicContact CE-CB 4.02Å; M1-F66 HydrophobicContact CE-CD1 4.46Å; M1-F66 HydrophobicContact CE-CD2 4.34Å; M1-F66 HydrophobicContact CE-CG 4.01Å; M1-F66 HydrophobicContact SD-CB 3.68Å; M1-F66 HydrophobicContact SD-CD1 4.46Å; M1-F66 HydrophobicContact SD-CD2 3.35Å; M1-F66 WeakPolarHBondContact SD-CD2 3.06Å; M1-F66 HydrophobicContact SD-CE2 4.11Å; M1-F66 HydrophobicContact SD-CG 3.57Å; M1-F66 VanDerWaalsContact SD-CG 3.57Å; L21-F66 HydrophobicContact CD1-CB 4.28Å; V22-F66 PolarHBondContact O-N 3.15Å; Y23-F66 WeakPolarHBondContact CA-O 3.43Å; Y23-F66 VanDerWaalsContact CB-O 3.26Å; Y23-F66 WeakPolarHBondContact CB-O 3.15Å; I30-F66 HydrophobicContact CB-CE1 4.15Å; I30-F66 HydrophobicContact CD1-CE1 4.29Å; I30-F66 HydrophobicContact CD1-CZ 4.12Å; I30-F66 HydrophobicContact CG2-CE1 4.08Å; I30-F66 HydrophobicContact CG2-CZ 4.14Å; L31-F66 HydrophobicContact CD1-CD1 3.68Å; L31-F66 HydrophobicContact CD1-CE1 4.23Å; L31-F66 HydrophobicContact CD2-CD1 4.29Å; L31-F66 HydrophobicContact CD2-CE1 4.15Å; L31-F66 HydrophobicContact CG-CD1 3.84Å; L31-F66 HydrophobicContact CG-CE1 3.86Å; F66-N92 WeakPolarHBondContact CA-O 3.24Å; F66-N92 HydrophobicContact CD2-CB 4.34Å; F66-I94 HydrophobicContact CD2-CG1 3.99Å; F66-I94 HydrophobicContact CE1-CD1 4.36Å; F66-I94 HydrophobicContact CE1-CG1 4.21Å; F66-I94 HydrophobicContact CE2-CB 4.44Å; F66-I94 HydrophobicContact CE2-CD1 4.42Å; F66-I94 HydrophobicContact CE2-CG1 3.46Å; F66-I94 VanDerWaalsContact CE2-CG1 3.46Å; F66-I94 HydrophobicContact CZ-CD1 4.22Å; F66-I94 HydrophobicContact CZ-CG1 3.61Å; F66-Q124 HydrophobicContact CE2-CB 4.47Å; F66-Q124 HydrophobicContact CE2-CG 4.36Å; F66-M126 HydrophobicContact CD2-CE 4.13Å; F66-M126 HydrophobicContact CE2-CE 3.22Å; F66-M126 HydrophobicContact CZ-CB 4.32Å; F66-M126 HydrophobicContact CZ-CE 3.46Å; F66-M126 VanDerWaalsContact CZ-CE 3.46Å; F66-M126 HydrophobicContact CZ-SD 4.49Å
67V98Very high95.5Very high0 Ų043.6 Ų43.60%023%0.234CC..EExtended strand (participates in β ladder)trans-142.3151-162-65.40000112.1D24 L51 T73 N92 F93 I94D24-V67 HydrophobicContact CB-CG1 4.37Å; L51-V67 HydrophobicContact CD2-CG1 4.1Å; V67-T73 HydrophobicContact CB-CG2 3.68Å; V67-T73 HydrophobicContact CG1-CG2 4.37Å; V67-T73 HydrophobicContact CG2-CG2 3.45Å; V67-T73 VanDerWaalsContact CG2-CG2 3.45Å; V67-N92 PolarHBondContact N-O 3.08Å; V67-N92 VanDerWaalsContact N-O 3.08Å; V67-F93 HydrophobicContact CG2-CD1 4.07Å; V67-F93 HydrophobicContact CG2-CE1 3.99Å; V67-F93 CarbonylContact O-C 3.15Å; V67-F93 VanDerWaalsContact O-CA 3.29Å; V67-F93 WeakPolarHBondContact O-CA 3.24Å; V67-I94 WeakPolarHBondContact O-CG1 3.35Å; V67-I94 PolarHBondContact O-N 3.16Å
68A96.1Very high95.6Very high22 Ų2240.9 Ų40.918%0.18222%0.217CC..  trans-77.3139171.600000110D24 S70 T73 I94D24-A68 WeakPolarHBondContact OD2-CB 3.4Å; D24-A68 PolarHBondContact OD2-N 3.18Å; A68-S70 PolarHBondContact O-N 3.48Å; A68-T73 WeakPolarHBondContact O-CB 3.35Å; A68-T73 WeakPolarHBondContact O-CG2 3.35Å; A68-T73 PolarHBondContact O-OG1 3.35Å; A68-I94 HydrophobicContact CB-CD1 4.2Å
69P95.5Very high95.7Very high26 Ų2642.9 Ų42.917%0.16923%0.228CC..  trans-7297.6177.130.3-34.2000110.2F93 S95 L97P69-F93 HydrophobicContact CB-CD1 4.01Å; P69-S95 WeakPolarHBondContact CD-OG 3.39Å; P69-S95 WeakPolarHBondContact CG-OG 3.44Å; P69-L97 HydrophobicContact CB-CD1 3.79Å
70S94.7Very high95.9Very high36 Ų3640 Ų4025%0.25221%0.208SC..  trans-128.6162.417177.10000110.6A68 E72 T73 I74A68-S70 PolarHBondContact O-N 3.48Å; S70-E72 WeakPolarHBondContact CB-OE2 3.04Å; S70-E72 PolarHBondContact O-N 3.48Å; S70-E72 PolarHBondContact OG-OE2 2.7Å; S70-E72 VanDerWaalsContact OG-OE2 3.11Å; S70-T73 WeakPolarHBondContact O-CB 3.22Å; S70-T73 PolarHBondContact O-N 2.81Å; S70-T73 VanDerWaalsContact O-N 3.15Å; S70-T73 PolarHBondContact OG-N 2.8Å; S70-T73 VanDerWaalsContact OG-N 3.15Å; S70-T73 PolarHBondContact OG-OG1 3.15Å; S70-I74 VanDerWaalsContact O-CG1 3.27Å; S70-I74 WeakPolarHBondContact O-CG1 3.39Å; S70-I74 PolarHBondContact O-N 3Å
71R95.2Very high96Very high161 Ų16133.2 Ų33.261%0.60817%0.172SC*.Hα-helixtrans-57.2-41177.9-175.9178.4-175.3174.22.9111.7I74 Q75R71-I74 PolarHBondContact O-N 2.86Å; R71-Q75 VanDerWaalsContact O-CG 3.31Å; R71-Q75 WeakPolarHBondContact O-CG 3.05Å; R71-Q75 PolarHBondContact O-N 2.74Å
72E95.6Very high96Very high125 Ų12536.7 Ų36.758%0.58419%0.193SC*.Hα-helixtrans-64.1-43.7179-59.468.1-142.900110.5S70 Q75 A76S70-E72 WeakPolarHBondContact CB-OE2 3.04Å; S70-E72 PolarHBondContact O-N 3.48Å; S70-E72 PolarHBondContact OG-OE2 2.7Å; S70-E72 VanDerWaalsContact OG-OE2 3.11Å; E72-Q75 PolarHBondContact O-N 2.94Å; E72-A76 WeakPolarHBondContact O-CB 3.11Å; E72-A76 PolarHBondContact O-N 3.14Å
73T96.6Very high95.8Very high5 Ų538.2 Ų38.23%0.03121%0.212CC..Hα-helixtrans-61.1-46.5176.2-66.30000111.4L51 V67 A68 S70 Q75 A76 L77 F93L51-T73 HydrophobicContact CD2-CG2 3.85Å; V67-T73 HydrophobicContact CB-CG2 3.68Å; V67-T73 HydrophobicContact CG1-CG2 4.37Å; V67-T73 HydrophobicContact CG2-CG2 3.45Å; V67-T73 VanDerWaalsContact CG2-CG2 3.45Å; A68-T73 WeakPolarHBondContact O-CB 3.35Å; A68-T73 WeakPolarHBondContact O-CG2 3.35Å; A68-T73 PolarHBondContact O-OG1 3.35Å; S70-T73 WeakPolarHBondContact O-CB 3.22Å; S70-T73 PolarHBondContact O-N 2.81Å; S70-T73 VanDerWaalsContact O-N 3.15Å; S70-T73 PolarHBondContact OG-N 2.8Å; S70-T73 VanDerWaalsContact OG-N 3.15Å; S70-T73 PolarHBondContact OG-OG1 3.15Å; T73-Q75 VanDerWaalsContact C-N 3.34Å; T73-Q75 PolarHBondContact O-N 2.98Å; T73-A76 PolarHBondContact O-N 3.13Å; T73-L77 HydrophobicContact CG2-CD1 4.11Å; T73-L77 WeakPolarHBondContact O-CG 3.29Å; T73-L77 PolarHBondContact O-N 3.12Å; T73-F93 HydrophobicContact CG2-CE1 4.49Å
74I97Very high95.6Very high6 Ų639.5 Ų39.53%0.03123%0.225CC..Hα-helixtrans-63.3-42.7-179.9-60.7-60.8000110.8S70 R71 L77 C78 F93 L97 Y101 D104 L105S70-I74 VanDerWaalsContact O-CG1 3.27Å; S70-I74 WeakPolarHBondContact O-CG1 3.39Å; S70-I74 PolarHBondContact O-N 3Å; R71-I74 PolarHBondContact O-N 2.86Å; I74-L77 PolarHBondContact O-N 3.25Å; I74-C78 WeakPolarHBondContact O-CB 3.42Å; I74-C78 PolarHBondContact O-N 3.24Å; I74-C78 PolarHBondContact O-SG 3.29Å; I74-F93 HydrophobicContact CD1-CE1 4.01Å; I74-F93 HydrophobicContact CD1-CZ 4.16Å; I74-L97 HydrophobicContact CD1-CD1 3.82Å; I74-Y101 HydrophobicContact CD1-CG 4.43Å; I74-Y101 HydrophobicContact CG1-CD1 4.24Å; I74-Y101 HydrophobicContact CG1-CD2 4.25Å; I74-Y101 HydrophobicContact CG1-CG 3.89Å; I74-D104 HydrophobicContact CG2-CB 4.15Å; I74-L105 HydrophobicContact CD1-CD1 3.69Å; I74-L105 HydrophobicContact CD1-CD2 4.25Å; I74-L105 HydrophobicContact CD1-CG 3.95Å; I74-L105 HydrophobicContact CG2-CD2 4.06Å; I74-L105 HydrophobicContact CG2-CG 4.05Å
75Q96.1Very high95.5Very high97 Ų9740.5 Ų40.545%0.45323%0.23SC..Hα-helixtrans-62.8-43.1176-74176.6-8.700112.5R71 E72 T73 C78 N79R71-Q75 VanDerWaalsContact O-CG 3.31Å; R71-Q75 WeakPolarHBondContact O-CG 3.05Å; R71-Q75 PolarHBondContact O-N 2.74Å; E72-Q75 PolarHBondContact O-N 2.94Å; T73-Q75 VanDerWaalsContact C-N 3.34Å; T73-Q75 PolarHBondContact O-N 2.98Å; Q75-C78 PolarHBondContact O-N 2.75Å; Q75-N79 VanDerWaalsContact O-CG 3.25Å; Q75-N79 PolarHBondContact O-N 2.98Å; Q75-N79 PolarHBondContact O-ND2 3.3Å
76A96.3Very high95.4Very high22 Ų2240.6 Ų40.618%0.18223%0.231CC..Hα-helixtrans-60.6-46.4176.300000111.5L51 E72 T73 C78 N79 D80L51-A76 HydrophobicContact CD1-CB 4.02Å; L51-A76 HydrophobicContact CD2-CB 4.01Å; L51-A76 HydrophobicContact CG-CB 3.9Å; E72-A76 WeakPolarHBondContact O-CB 3.11Å; E72-A76 PolarHBondContact O-N 3.14Å; T73-A76 PolarHBondContact O-N 3.13Å; A76-C78 PolarHBondContact O-N 3.27Å; A76-N79 WeakPolarHBondContact O-CB 3.33Å; A76-N79 PolarHBondContact O-N 3.38Å; A76-D80 PolarHBondContact O-N 3.42Å
77L96.3Very high95.2Very high0 Ų045.1 Ų45.10%025%0.252CS..Hα-helixtrans-59.8-43.9175.7-72.3173.5000112.5Y65 T73 I74 N79 D80 F81 L91 F93 L105Y65-L77 HydrophobicContact CD1-CD2 3.29Å; Y65-L77 HydrophobicContact CD2-CD2 4.2Å; Y65-L77 HydrophobicContact CE1-CD2 3.35Å; Y65-L77 HydrophobicContact CE2-CD2 4.29Å; Y65-L77 HydrophobicContact CG-CD2 3.71Å; T73-L77 HydrophobicContact CG2-CD1 4.11Å; T73-L77 WeakPolarHBondContact O-CG 3.29Å; T73-L77 PolarHBondContact O-N 3.12Å; I74-L77 PolarHBondContact O-N 3.25Å; L77-N79 VanDerWaalsContact C-N 3.29Å; L77-N79 PolarHBondContact O-N 2.94Å; L77-D80 PolarHBondContact O-N 2.9Å; L77-F81 WeakPolarHBondContact O-CG 3.49Å; L77-F81 PolarHBondContact O-N 3.09Å; L77-L91 HydrophobicContact CD1-CD2 4.46Å; L77-L91 HydrophobicContact CD2-CD2 3.9Å; L77-F93 HydrophobicContact CD1-CE1 4.08Å; L77-F93 HydrophobicContact CD1-CZ 3.89Å; L77-L105 HydrophobicContact CB-CD2 3.72Å; L77-L105 HydrophobicContact CD1-CD2 4.04Å
78C95.3Very high95.1Very high21 Ų2145.4 Ų45.414%0.14225%0.254CS..Hα-helixtrans-59.7-40.9176.1-69.80000111.8I74 Q75 A76 D80 F81 V82 A108I74-C78 WeakPolarHBondContact O-CB 3.42Å; I74-C78 PolarHBondContact O-N 3.24Å; I74-C78 PolarHBondContact O-SG 3.29Å; Q75-C78 PolarHBondContact O-N 2.75Å; A76-C78 PolarHBondContact O-N 3.27Å; C78-D80 VanDerWaalsContact C-N 3.35Å; C78-F81 PolarHBondContact O-N 3.2Å; C78-V82 WeakPolarHBondContact O-CG2 3.46Å; C78-V82 PolarHBondContact O-N 3.32Å; C78-A108 HydrophobicContact CB-CB 3.73Å; C78-A108 WeakPolarHBondContact SG-CB 3.21Å
79N94.7Very high95.1Very high111 Ų11144.3 Ų44.359%0.59425%0.245SC*.Hα-helixtrans-67-37.7176.4-66.9-23.3000111.6Q75 A76 L77 F81 V82 G83Q75-N79 VanDerWaalsContact O-CG 3.25Å; Q75-N79 PolarHBondContact O-N 2.98Å; Q75-N79 PolarHBondContact O-ND2 3.3Å; A76-N79 WeakPolarHBondContact O-CB 3.33Å; A76-N79 PolarHBondContact O-N 3.38Å; L77-N79 VanDerWaalsContact C-N 3.29Å; L77-N79 PolarHBondContact O-N 2.94Å; N79-F81 VanDerWaalsContact C-N 3.31Å; N79-F81 PolarHBondContact O-N 2.94Å; N79-V82 PolarHBondContact O-N 3.11Å; N79-G83 PolarHBondContact O-N 3.3Å
80D95.2Very high95.2Very high11 Ų1144 Ų446%0.05924%0.241CC..Hα-helixtrans-63.9-37.2177.8-64.7-19.3000111.5R55 Y65 A76 L77 C78 G83 G84 L85 Y89R55-D80 IonicContact CZ-OD1 3.54Å; R55-D80 IonicContact CZ-OD2 3.5Å; R55-D80 IonicContact NH1-OD1 3.99Å; R55-D80 IonicContact NH1-OD2 3.41Å; R55-D80 PolarHBondContact NH1-OD2 3.15Å; R55-D80 IonicContact NH2-OD1 3.96Å; R55-D80 PolarHBondContact NH2-OD1 3.15Å; R55-D80 IonicContact NH2-OD2 3.6Å; R55-D80 PolarHBondContact NH2-OD2 3.45Å; Y65-D80 PolarHBondContact OH-OD2 2.97Å; A76-D80 PolarHBondContact O-N 3.42Å; L77-D80 PolarHBondContact O-N 2.9Å; C78-D80 VanDerWaalsContact C-N 3.35Å; D80-G83 PolarHBondContact O-N 2.98Å; D80-G84 PolarHBondContact O-N 3.38Å; D80-G84 VanDerWaalsContact O-N 3.08Å; D80-L85 PolarHBondContact O-N 3.47Å; D80-Y89 HydrophobicContact CB-CE1 4.29Å; D80-Y89 PolarHBondContact O-OH 2.96Å
81F95Very high95.3Very high4 Ų442.4 Ų42.42%0.01823%0.23CC..Hα-helixtrans-63.7-44.9173.3-59.3-22.6000112.1L77 C78 N79 G83 G84 Y89 L91 L105 A108 A109 A112 A114 V118L77-F81 WeakPolarHBondContact O-CG 3.49Å; L77-F81 PolarHBondContact O-N 3.09Å; C78-F81 PolarHBondContact O-N 3.2Å; N79-F81 VanDerWaalsContact C-N 3.31Å; N79-F81 PolarHBondContact O-N 2.94Å; F81-G83 VanDerWaalsContact C-N 3.29Å; F81-G83 PolarHBondContact O-N 2.74Å; F81-G84 PolarHBondContact O-N 2.87Å; F81-Y89 AromaticContact CD1-CD1 3.83Å; F81-Y89 HydrophobicContact CD1-CD1 3.83Å; F81-Y89 HydrophobicContact CD1-CD2 4.15Å; F81-Y89 AromaticContact CD1-CE1 3.82Å; F81-Y89 HydrophobicContact CD1-CE1 3.82Å; F81-Y89 HydrophobicContact CD1-CE2 4.17Å; F81-Y89 HydrophobicContact CD1-CG 4.03Å; F81-Y89 AromaticContact CE1-CD1 3.6Å; F81-Y89 HydrophobicContact CE1-CD1 3.6Å; F81-Y89 HydrophobicContact CE1-CD2 4.15Å; F81-Y89 HydrophobicContact CE1-CE1 4.08Å; F81-Y89 AromaticContact CE1-CG 3.67Å; F81-Y89 HydrophobicContact CE1-CG 3.67Å; F81-L91 HydrophobicContact CZ-CD1 4.06Å; F81-L91 HydrophobicContact CZ-CD2 4.45Å; F81-L105 HydrophobicContact CE2-CD2 3.99Å; F81-L105 HydrophobicContact CZ-CD2 4.39Å; F81-A108 HydrophobicContact CD2-CB 4.4Å; F81-A109 HydrophobicContact CD2-CB 4.06Å; F81-A109 HydrophobicContact CE2-CB 4.21Å; F81-A112 HydrophobicContact CB-CB 4.02Å; F81-A114 HydrophobicContact CB-CB 4.01Å; F81-A114 HydrophobicContact CG-CB 4.41Å; F81-V118 HydrophobicContact CD1-CG2 4.5Å; F81-V118 HydrophobicContact CE1-CG2 3.93Å; F81-V118 HydrophobicContact CE2-CG2 4.37Å; F81-V118 HydrophobicContact CZ-CG2 3.87Å
82V92.5Very high95.4Very high107 Ų10734.7 Ų34.765%0.64820%0.201SC*.Hα-helixtrans-63.9-36.9178.61740000111.3C78 N79 G84 A112C78-V82 WeakPolarHBondContact O-CG2 3.46Å; C78-V82 PolarHBondContact O-N 3.32Å; N79-V82 PolarHBondContact O-N 3.11Å; V82-G84 VanDerWaalsContact C-N 3.34Å; V82-A112 HydrophobicContact CG2-CB 4.06Å
83G91.9Very high95.5Very high49 Ų4928.8 Ų28.851%0.50517%0.173SC..Hα-helixtrans-76.8-1617800000114.6N79 D80 F81 L85N79-G83 PolarHBondContact O-N 3.3Å; D80-G83 PolarHBondContact O-N 2.98Å; F81-G83 VanDerWaalsContact C-N 3.29Å; F81-G83 PolarHBondContact O-N 2.74Å; G83-L85 VanDerWaalsContact C-N 3.33Å; G83-L85 PolarHBondContact O-N 2.93Å
84G93Very high95.6Very high27 Ų2728.7 Ų28.728%0.27817%0.172SC..THydrogen-bonded Turntrans6041.3-176.800000112.7D80 F81 V82 Y86D80-G84 PolarHBondContact O-N 3.38Å; D80-G84 VanDerWaalsContact O-N 3.08Å; F81-G84 PolarHBondContact O-N 2.87Å; V82-G84 VanDerWaalsContact C-N 3.34Å; G84-Y86 VanDerWaalsContact C-N 3.29Å; G84-Y86 PolarHBondContact O-N 3.48Å
85L94.4Very high95.4Very high20 Ų2029.7 Ų29.711%0.10518%0.18CC..  trans-64.3-29.4-170.7-89.268000113.8R55 L58 D80 G83 Y89R55-L85 HydrophobicContact CB-CD2 4.2Å; L58-L85 CarbonylContact C-O 3.52Å; L58-L85 WeakPolarHBondContact CA-O 3.41Å; L58-L85 PolarHBondContact N-O 3.08Å; D80-L85 PolarHBondContact O-N 3.47Å; G83-L85 VanDerWaalsContact C-N 3.33Å; G83-L85 PolarHBondContact O-N 2.93Å; L85-Y89 PolarHBondContact N-OH 2.71Å; L85-Y89 VanDerWaalsContact N-OH 3.11Å
86Y95.5Very high95.2Very high3 Ų327.7 Ų27.71%0.01218%0.175CC..EExtended strand (participates in β ladder)trans-137.3158.6-170.9-54.4-62.6000111.9I20 V22 L58 C63 Y65 G84 S88 Y89I20-Y86 HydrophobicContact CD1-CD1 3.67Å; I20-Y86 HydrophobicContact CD1-CE1 3.46Å; I20-Y86 VanDerWaalsContact CD1-CE1 3.46Å; I20-Y86 HydrophobicContact CG2-CE1 4.32Å; V22-Y86 HydrophobicContact CG2-CE2 4.49Å; L58-Y86 HydrophobicContact CB-CD1 4.29Å; L58-Y86 HydrophobicContact CB-CE1 4.42Å; C63-Y86 HydrophobicContact CB-CD1 3.92Å; C63-Y86 HydrophobicContact CB-CD2 3.44Å; C63-Y86 VanDerWaalsContact CB-CD2 3.44Å; C63-Y86 HydrophobicContact CB-CE1 4.43Å; C63-Y86 HydrophobicContact CB-CE2 3.99Å; C63-Y86 HydrophobicContact CB-CG 3.4Å; Y65-Y86 HydrophobicContact CE2-CD2 4.32Å; Y65-Y86 HydrophobicContact CE2-CE2 4.44Å; Y65-Y86 WeakPolarHBondContact OH-CD2 3.4Å; Y65-Y86 WeakPolarHBondContact OH-CE2 3.39Å; G84-Y86 VanDerWaalsContact C-N 3.29Å; G84-Y86 PolarHBondContact O-N 3.48Å; Y86-S88 VanDerWaalsContact C-N 3.33Å; Y86-S88 PolarHBondContact O-N 3.21Å; Y86-Y89 HydrophobicContact CD2-CD1 4.34Å; Y86-Y89 AromaticContact CD2-CE1 3.79Å; Y86-Y89 HydrophobicContact CD2-CE1 3.79Å; Y86-Y89 PolarHBondContact N-OH 2.89Å
87E94.6Very high95Very high94 Ų9427.8 Ų27.844%0.43917%0.173SC..EExtended strand (participates in β ladder)trans-61.2-43.9178.8-169.6-157.2154.400111.5P59 V61P59-E87 WeakPolarHBondContact O-CA 3.49Å; P59-E87 WeakPolarHBondContact O-CB 3.33Å; P59-E87 PolarHBondContact O-N 2.95Å; V61-E87 PolarHBondContact O-N 3.19Å; V61-E87 VanDerWaalsContact O-N 3.08Å
88S95.1Very high94.9Very high6 Ų630.1 Ų30.14%0.04219%0.192CC..EExtended strand (participates in β ladder)trans-152.6150.5-17955.50000112.3P62 C63 Y86 Q117P62-S88 WeakPolarHBondContact CB-OG 3.36Å; C63-S88 PolarHBondContact N-O 3.45Å; Y86-S88 VanDerWaalsContact C-N 3.33Å; Y86-S88 PolarHBondContact O-N 3.21Å; S88-Q117 CarbonylContact C-O 3.58Å; S88-Q117 VanDerWaalsContact CA-O 3.23Å; S88-Q117 WeakPolarHBondContact CA-O 3.41Å; S88-Q117 WeakPolarHBondContact CB-O 3.47Å
89Y96.6Very high94.9Very high0 Ų038 Ų380%022%0.219CC..EExtended strand (participates in β ladder)trans-114.3121.2-174.1-54.7-100000109.9Y65 D80 F81 L85 Y86 Q117 R119Y65-Y89 AromaticContact CE2-CD1 3.65Å; Y65-Y89 HydrophobicContact CE2-CD1 3.65Å; Y65-Y89 HydrophobicContact CE2-CE1 4.38Å; D80-Y89 HydrophobicContact CB-CE1 4.29Å; D80-Y89 PolarHBondContact O-OH 2.96Å; F81-Y89 AromaticContact CD1-CD1 3.83Å; F81-Y89 HydrophobicContact CD1-CD1 3.83Å; F81-Y89 HydrophobicContact CD1-CD2 4.15Å; F81-Y89 AromaticContact CD1-CE1 3.82Å; F81-Y89 HydrophobicContact CD1-CE1 3.82Å; F81-Y89 HydrophobicContact CD1-CE2 4.17Å; F81-Y89 HydrophobicContact CD1-CG 4.03Å; F81-Y89 AromaticContact CE1-CD1 3.6Å; F81-Y89 HydrophobicContact CE1-CD1 3.6Å; F81-Y89 HydrophobicContact CE1-CD2 4.15Å; F81-Y89 HydrophobicContact CE1-CE1 4.08Å; F81-Y89 AromaticContact CE1-CG 3.67Å; F81-Y89 HydrophobicContact CE1-CG 3.67Å; L85-Y89 PolarHBondContact N-OH 2.71Å; L85-Y89 VanDerWaalsContact N-OH 3.11Å; Y86-Y89 HydrophobicContact CD2-CD1 4.34Å; Y86-Y89 AromaticContact CD2-CE1 3.79Å; Y86-Y89 HydrophobicContact CD2-CE1 3.79Å; Y86-Y89 PolarHBondContact N-OH 2.89Å; Y89-Q117 HydrophobicContact CD2-CB 3.77Å; Y89-Q117 HydrophobicContact CE2-CB 3.85Å; Y89-Q117 PolarHBondContact N-O 3.37Å; Y89-R119 PolarHBondContact O-N 3.08Å
90F97.1Very high95Very high18 Ų1836.4 Ų36.48%0.07921%0.214CC..EExtended strand (participates in β ladder)trans-110.798.6172.6-68.6-98.5000109F4 P62 C63 I64 Y65 N92 R119 K120F4-F90 HydrophobicContact CB-CD1 4.03Å; F4-F90 HydrophobicContact CB-CE1 3.64Å; F4-F90 HydrophobicContact CB-CZ 4.08Å; F4-F90 AromaticContact CD1-CD1 3.87Å; F4-F90 HydrophobicContact CD1-CD1 3.87Å; F4-F90 AromaticContact CD1-CD2 3.62Å; F4-F90 HydrophobicContact CD1-CD2 3.62Å; F4-F90 AromaticContact CD1-CE1 3.71Å; F4-F90 HydrophobicContact CD1-CE1 3.71Å; F4-F90 AromaticContact CD1-CE2 3.43Å; F4-F90 HydrophobicContact CD1-CE2 3.43Å; F4-F90 VanDerWaalsContact CD1-CE2 3.43Å; F4-F90 AromaticContact CD1-CG 3.83Å; F4-F90 HydrophobicContact CD1-CG 3.83Å; F4-F90 AromaticContact CD1-CZ 3.48Å; F4-F90 HydrophobicContact CD1-CZ 3.48Å; F4-F90 VanDerWaalsContact CD1-CZ 3.48Å; F4-F90 AromaticContact CE1-CD2 3.95Å; F4-F90 HydrophobicContact CE1-CD2 3.95Å; F4-F90 AromaticContact CE1-CE2 3.73Å; F4-F90 HydrophobicContact CE1-CE2 3.73Å; F4-F90 HydrophobicContact CE1-CZ 4.15Å; F4-F90 HydrophobicContact CG-CD1 4.42Å; F4-F90 HydrophobicContact CG-CE1 4.02Å; F4-F90 HydrophobicContact CG-CE2 4.36Å; F4-F90 AromaticContact CG-CZ 3.97Å; F4-F90 HydrophobicContact CG-CZ 3.97Å; P62-F90 HydrophobicContact CB-CE2 4.28Å; C63-F90 PolarHBondContact O-N 2.85Å; I64-F90 HydrophobicContact CG1-CB 4.17Å; Y65-F90 PolarHBondContact N-O 3.19Å; F90-N92 PolarHBondContact O-ND2 2.88Å; F90-R119 HydrophobicContact CD1-CB 4.22Å; F90-R119 HydrophobicContact CE1-CB 3.73Å; F90-R119 HydrophobicContact CE1-CG 4.45Å; F90-R119 HydrophobicContact CE2-CB 4.14Å; F90-R119 HydrophobicContact CE2-CG 4.13Å; F90-R119 HydrophobicContact CZ-CB 3.7Å; F90-R119 HydrophobicContact CZ-CG 3.91Å; F90-K120 HydrophobicContact CD1-CB 3.94Å; F90-K120 HydrophobicContact CD1-CD 4.07Å; F90-K120 HydrophobicContact CD1-CG 4.16Å; F90-K120 HydrophobicContact CE1-CB 4.48Å; F90-K120 HydrophobicContact CE1-CD 4.11Å; F90-K120 HydrophobicContact CE1-CG 4.24Å
91L97.6Very high95Very high3 Ų339.3 Ų39.32%0.01623%0.225CC..EExtended strand (participates in β ladder)trans-86.8116.2-174.6-48.1-176.7000109.8Y65 L77 F81 F93 L105 V118 K120 V121 F122Y65-L91 HydrophobicContact CD2-CD2 3.9Å; Y65-L91 HydrophobicContact CG-CD2 4.17Å; L77-L91 HydrophobicContact CD1-CD2 4.46Å; L77-L91 HydrophobicContact CD2-CD2 3.9Å; F81-L91 HydrophobicContact CZ-CD1 4.06Å; F81-L91 HydrophobicContact CZ-CD2 4.45Å; L91-F93 HydrophobicContact CB-CE2 3.92Å; L91-F93 HydrophobicContact CB-CZ 4.39Å; L91-L105 HydrophobicContact CD1-CD1 4.25Å; L91-V118 HydrophobicContact CD1-CG1 4.24Å; L91-K120 PolarHBondContact N-O 2.86Å; L91-V121 HydrophobicContact CB-CG1 4.45Å; L91-V121 HydrophobicContact CB-CG2 4.36Å; L91-V121 HydrophobicContact CD1-CG2 4.06Å; L91-V121 HydrophobicContact CG-CG2 4.47Å; L91-V121 CarbonylContact O-C 3.52Å; L91-V121 WeakPolarHBondContact O-CA 3.26Å; L91-F122 PolarHBondContact O-N 3.1Å
92N97.9Very high95.1Very high0 Ų043 Ų430%024%0.244CC..EExtended strand (participates in β ladder)trans-120.1108.3175.4-61.1-95.8000109.1M1 N5 Y65 F66 V67 F90 F122 Q124M1-N92 HydrophobicContact CG-CB 4.03Å; M1-N92 HydrophobicContact SD-CB 3.95Å; N5-N92 VanDerWaalsContact CG-OD1 3.31Å; N5-N92 PolarHBondContact ND2-OD1 3.09Å; N5-N92 PolarHBondContact OD1-OD1 3.43Å; Y65-N92 WeakPolarHBondContact O-CA 3.33Å; Y65-N92 WeakPolarHBondContact O-CB 3.43Å; Y65-N92 PolarHBondContact O-N 3.43Å; Y65-N92 PolarHBondContact O-ND2 2.9Å; F66-N92 WeakPolarHBondContact CA-O 3.24Å; F66-N92 HydrophobicContact CD2-CB 4.34Å; V67-N92 PolarHBondContact N-O 3.08Å; V67-N92 VanDerWaalsContact N-O 3.08Å; F90-N92 PolarHBondContact O-ND2 2.88Å; N92-F122 CarbonylContact C-O 3.57Å; N92-F122 WeakPolarHBondContact CA-O 3.21Å; N92-Q124 HydrophobicContact CB-CG 3.8Å; N92-Q124 PolarHBondContact OD1-NE2 2.6Å
93F97.9Very high95.2Very high0 Ų042.6 Ų42.60%024%0.236CC..EExtended strand (participates in β ladder)trans-87.6134.2177.8-65.9-77.6000110.6V67 P69 T73 I74 L77 L91 S95 L97 L105 V121 F122 Q124V67-F93 HydrophobicContact CG2-CD1 4.07Å; V67-F93 HydrophobicContact CG2-CE1 3.99Å; V67-F93 CarbonylContact O-C 3.15Å; V67-F93 VanDerWaalsContact O-CA 3.29Å; V67-F93 WeakPolarHBondContact O-CA 3.24Å; P69-F93 HydrophobicContact CB-CD1 4.01Å; T73-F93 HydrophobicContact CG2-CE1 4.49Å; I74-F93 HydrophobicContact CD1-CE1 4.01Å; I74-F93 HydrophobicContact CD1-CZ 4.16Å; L77-F93 HydrophobicContact CD1-CE1 4.08Å; L77-F93 HydrophobicContact CD1-CZ 3.89Å; L91-F93 HydrophobicContact CB-CE2 3.92Å; L91-F93 HydrophobicContact CB-CZ 4.39Å; F93-S95 WeakPolarHBondContact CB-O 3.38Å; F93-L97 HydrophobicContact CD1-CD1 4.09Å; F93-L97 HydrophobicContact CD2-CB 4.12Å; F93-L97 HydrophobicContact CD2-CD1 4.37Å; F93-L97 HydrophobicContact CD2-CD2 4.07Å; F93-L97 HydrophobicContact CD2-CG 4.42Å; F93-L97 HydrophobicContact CE1-CD1 3.94Å; F93-L97 HydrophobicContact CE2-CD1 4.24Å; F93-L97 HydrophobicContact CE2-CD2 3.69Å; F93-L97 HydrophobicContact CE2-CG 4.39Å; F93-L97 HydrophobicContact CG-CB 4.29Å; F93-L97 HydrophobicContact CG-CD1 4.31Å; F93-L97 HydrophobicContact CZ-CD1 4.03Å; F93-L97 HydrophobicContact CZ-CD2 4.1Å; F93-L105 HydrophobicContact CE2-CD1 4.22Å; F93-L105 HydrophobicContact CZ-CD1 3.71Å; F93-V121 HydrophobicContact CD2-CG1 4.18Å; F93-V121 HydrophobicContact CE2-CG1 3.89Å; F93-F122 PolarHBondContact N-O 3.47Å; F93-Q124 WeakPolarHBondContact O-CB 3.47Å; F93-Q124 PolarHBondContact O-N 3.11Å
94I96.7Very high95.4Very high3 Ų344.5 Ų44.52%0.01523%0.234CC..SBendtrans-64.6-42.6-178.1-68.2168.7000111.1T26 I30 F66 V67 A68 Y125 M126 S127T26-I94 HydrophobicContact CG2-CD1 3.92Å; I30-I94 HydrophobicContact CD1-CD1 3.96Å; I30-I94 HydrophobicContact CD1-CG1 4.26Å; I30-I94 HydrophobicContact CD1-CG2 3.74Å; F66-I94 HydrophobicContact CD2-CG1 3.99Å; F66-I94 HydrophobicContact CE1-CD1 4.36Å; F66-I94 HydrophobicContact CE1-CG1 4.21Å; F66-I94 HydrophobicContact CE2-CB 4.44Å; F66-I94 HydrophobicContact CE2-CD1 4.42Å; F66-I94 HydrophobicContact CE2-CG1 3.46Å; F66-I94 VanDerWaalsContact CE2-CG1 3.46Å; F66-I94 HydrophobicContact CZ-CD1 4.22Å; F66-I94 HydrophobicContact CZ-CG1 3.61Å; V67-I94 WeakPolarHBondContact O-CG1 3.35Å; V67-I94 PolarHBondContact O-N 3.16Å; A68-I94 HydrophobicContact CB-CD1 4.2Å; I94-Y125 PolarHBondContact O-N 2.8Å; I94-M126 WeakPolarHBondContact CG2-O 3.33Å; I94-M126 PolarHBondContact O-N 2.81Å; I94-S127 PolarHBondContact O-OG 3.4Å
95S93.4Very high95.5Very high28 Ų2843.6 Ų43.620%0.19622%0.223CC..SBendtrans-118.6165173.2620000110.4P69 F93 L97 S127P69-S95 WeakPolarHBondContact CD-OG 3.39Å; P69-S95 WeakPolarHBondContact CG-OG 3.44Å; F93-S95 WeakPolarHBondContact CB-O 3.38Å; S95-L97 PolarHBondContact O-N 3.03Å; S95-S127 WeakPolarHBondContact CB-OG 3.35Å
96P91.5Very high95.5Very high54 Ų5445 Ų4535%0.35124%0.237SC..PPolyproline II helixtrans-55.1129.1-178.5-29.438000113.8A98 Y125P96-A98 PolarHBondContact O-N 2.91Å; P96-Y125 HydrophobicContact CG-CD1 4.05Å; P96-Y125 HydrophobicContact CG-CE1 3.43Å; P96-Y125 VanDerWaalsContact CG-CE1 3.43Å
97L93.8Very high95.6Very high24 Ų2448.1 Ų48.113%0.12626%0.257CS..PPolyproline II helixtrans-72.9121.6178-174.868.5000111.3P69 I74 F93 S95 Y101 L102 L105 D123P69-L97 HydrophobicContact CB-CD1 3.79Å; I74-L97 HydrophobicContact CD1-CD1 3.82Å; F93-L97 HydrophobicContact CD1-CD1 4.09Å; F93-L97 HydrophobicContact CD2-CB 4.12Å; F93-L97 HydrophobicContact CD2-CD1 4.37Å; F93-L97 HydrophobicContact CD2-CD2 4.07Å; F93-L97 HydrophobicContact CD2-CG 4.42Å; F93-L97 HydrophobicContact CE1-CD1 3.94Å; F93-L97 HydrophobicContact CE2-CD1 4.24Å; F93-L97 HydrophobicContact CE2-CD2 3.69Å; F93-L97 HydrophobicContact CE2-CG 4.39Å; F93-L97 HydrophobicContact CG-CB 4.29Å; F93-L97 HydrophobicContact CG-CD1 4.31Å; F93-L97 HydrophobicContact CZ-CD1 4.03Å; F93-L97 HydrophobicContact CZ-CD2 4.1Å; S95-L97 PolarHBondContact O-N 3.03Å; L97-Y101 HydrophobicContact CD1-CD2 4.25Å; L97-Y101 HydrophobicContact CD1-CG 4.45Å; L97-L102 HydrophobicContact CD2-CB 3.77Å; L97-L102 HydrophobicContact CD2-CD1 3.92Å; L97-L102 HydrophobicContact CD2-CG 4.42Å; L97-L102 HydrophobicContact CG-CB 4.4Å; L97-L105 HydrophobicContact CD2-CD1 4.07Å; L97-D123 PolarHBondContact N-OD1 2.82Å
98A93.6Very high95.6Very high49 Ų4944.3 Ų44.341%0.40524%0.242SC..PPolyproline II helixtrans-62.714317400000111.4P96 Y101 L102P96-A98 PolarHBondContact O-N 2.91Å; A98-Y101 HydrophobicContact CB-CD2 4.13Å; A98-Y101 WeakPolarHBondContact O-CB 3.38Å; A98-Y101 PolarHBondContact O-N 3.29Å; A98-L102 PolarHBondContact O-N 3.44Å
99R94.6Very high95.5Very high186 Ų18644.3 Ų44.370%0.70224%0.242SC*.Hα-helixtrans-56.8-41-175-173.9161.1179.4173.64.7115.1Y101 L102 E103R99-Y101 VanDerWaalsContact C-N 3.29Å; R99-Y101 PolarHBondContact O-N 3.49Å; R99-L102 WeakPolarHBondContact O-CB 3.33Å; R99-L102 PolarHBondContact O-N 2.96Å; R99-E103 HydrophobicContact CG-CG 4.47Å; R99-E103 WeakPolarHBondContact CG-OE1 3.44Å; R99-E103 IonicContact NE-OE1 3.04Å; R99-E103 PolarHBondContact NE-OE1 3.43Å; R99-E103 VanDerWaalsContact NE-OE1 3.14Å; R99-E103 WeakPolarHBondContact O-CG 3.23Å; R99-E103 PolarHBondContact O-N 3.03Å
100P96.4Very high95.5Very high78 Ų7848.8 Ų48.851%0.50627%0.269SS..Hα-helixtrans-58-40.8175-26.236.2000112.8L102 E103 D104P100-L102 VanDerWaalsContact C-N 3.35Å; P100-L102 PolarHBondContact O-N 3.24Å; P100-E103 PolarHBondContact O-N 3.4Å; P100-D104 PolarHBondContact O-N 2.96Å
101Y96.6Very high95.4Very high72 Ų7256.2 Ų56.228%0.28230%0.301SS..Hα-helixtrans-67.6-34.4178.1-65.8-22.6000112.9I74 L97 A98 R99 D104 L105I74-Y101 HydrophobicContact CD1-CG 4.43Å; I74-Y101 HydrophobicContact CG1-CD1 4.24Å; I74-Y101 HydrophobicContact CG1-CD2 4.25Å; I74-Y101 HydrophobicContact CG1-CG 3.89Å; L97-Y101 HydrophobicContact CD1-CD2 4.25Å; L97-Y101 HydrophobicContact CD1-CG 4.45Å; A98-Y101 HydrophobicContact CB-CD2 4.13Å; A98-Y101 WeakPolarHBondContact O-CB 3.38Å; A98-Y101 PolarHBondContact O-N 3.29Å; R99-Y101 VanDerWaalsContact C-N 3.29Å; R99-Y101 PolarHBondContact O-N 3.49Å; Y101-D104 PolarHBondContact O-N 2.95Å; Y101-L105 WeakPolarHBondContact O-CG 3.46Å; Y101-L105 PolarHBondContact O-N 3.07Å; Y101-L105 VanDerWaalsContact O-N 3.07Å
102L95.7Very high95.2Very high81 Ų8157.5 Ų57.542%0.42431%0.313SS..Hα-helixtrans-64.9-41.6172.4-178.563.4000111.7L97 A98 R99 P100 L105 A106 V121L97-L102 HydrophobicContact CD2-CB 3.77Å; L97-L102 HydrophobicContact CD2-CD1 3.92Å; L97-L102 HydrophobicContact CD2-CG 4.42Å; L97-L102 HydrophobicContact CG-CB 4.4Å; A98-L102 PolarHBondContact O-N 3.44Å; R99-L102 WeakPolarHBondContact O-CB 3.33Å; R99-L102 PolarHBondContact O-N 2.96Å; P100-L102 VanDerWaalsContact C-N 3.35Å; P100-L102 PolarHBondContact O-N 3.24Å; L102-L105 PolarHBondContact O-N 3.07Å; L102-A106 WeakPolarHBondContact O-CB 3.28Å; L102-A106 PolarHBondContact O-N 3.24Å; L102-V121 HydrophobicContact CD1-CG1 4.43Å
103E96.3Very high95Very high100 Ų10064.1 Ų64.147%0.46735%0.348SS..Hα-helixtrans-65.9-38.1178.1-70.6172.3-174.400111.7R99 P100 A106 T107R99-E103 HydrophobicContact CG-CG 4.47Å; R99-E103 WeakPolarHBondContact CG-OE1 3.44Å; R99-E103 IonicContact NE-OE1 3.04Å; R99-E103 PolarHBondContact NE-OE1 3.43Å; R99-E103 VanDerWaalsContact NE-OE1 3.14Å; R99-E103 WeakPolarHBondContact O-CG 3.23Å; R99-E103 PolarHBondContact O-N 3.03Å; P100-E103 PolarHBondContact O-N 3.4Å; E103-A106 PolarHBondContact O-N 3.34Å; E103-T107 WeakPolarHBondContact O-CB 3.33Å; E103-T107 PolarHBondContact O-N 2.85Å; E103-T107 PolarHBondContact O-OG1 3.43Å
104D95.2Very high94.7Very high89 Ų8964.1 Ų64.148%0.47635%0.348SS..Hα-helixtrans-62.6-48.6173.7-74.2-21.1000111.8I74 P100 Y101 A106 T107 A108I74-D104 HydrophobicContact CG2-CB 4.15Å; P100-D104 PolarHBondContact O-N 2.96Å; Y101-D104 PolarHBondContact O-N 2.95Å; D104-A106 PolarHBondContact O-N 2.88Å; D104-T107 PolarHBondContact O-N 2.89Å; D104-A108 WeakPolarHBondContact O-CB 3.28Å; D104-A108 PolarHBondContact O-N 3.01Å
105L95.6Very high94.5Very high8 Ų869.2 Ų69.24%0.04238%0.375CS..Hα-helixtrans-60.4-44.3176.7-74.2172.5000111.9I74 L77 F81 L91 F93 L97 Y101 L102 T107 A108 A109I74-L105 HydrophobicContact CD1-CD1 3.69Å; I74-L105 HydrophobicContact CD1-CD2 4.25Å; I74-L105 HydrophobicContact CD1-CG 3.95Å; I74-L105 HydrophobicContact CG2-CD2 4.06Å; I74-L105 HydrophobicContact CG2-CG 4.05Å; L77-L105 HydrophobicContact CB-CD2 3.72Å; L77-L105 HydrophobicContact CD1-CD2 4.04Å; F81-L105 HydrophobicContact CE2-CD2 3.99Å; F81-L105 HydrophobicContact CZ-CD2 4.39Å; L91-L105 HydrophobicContact CD1-CD1 4.25Å; F93-L105 HydrophobicContact CE2-CD1 4.22Å; F93-L105 HydrophobicContact CZ-CD1 3.71Å; L97-L105 HydrophobicContact CD2-CD1 4.07Å; Y101-L105 WeakPolarHBondContact O-CG 3.46Å; Y101-L105 PolarHBondContact O-N 3.07Å; Y101-L105 VanDerWaalsContact O-N 3.07Å; L102-L105 PolarHBondContact O-N 3.07Å; L105-T107 VanDerWaalsContact C-N 3.33Å; L105-T107 PolarHBondContact O-N 2.91Å; L105-A108 PolarHBondContact O-N 2.9Å; L105-A109 WeakPolarHBondContact O-CB 3.49Å; L105-A109 PolarHBondContact O-N 2.87Å
106A95.1Very high94.5Very high49 Ų4972 Ų7241%0.40539%0.394SS..Hα-helixtrans-62-43.7178.600000111.2L102 E103 D104 A109 V110L102-A106 WeakPolarHBondContact O-CB 3.28Å; L102-A106 PolarHBondContact O-N 3.24Å; E103-A106 PolarHBondContact O-N 3.34Å; D104-A106 PolarHBondContact O-N 2.88Å; A106-A109 PolarHBondContact O-N 2.99Å; A106-V110 WeakPolarHBondContact O-CG2 3.43Å; A106-V110 PolarHBondContact O-N 3.46Å
107T95.7Very high94.6Very high68 Ų6872.1 Ų72.142%0.41739%0.39SS..Hα-helixtrans-63.3-42.9177.5-59.20000111.6E103 D104 L105 V110 K111E103-T107 WeakPolarHBondContact O-CB 3.33Å; E103-T107 PolarHBondContact O-N 2.85Å; E103-T107 PolarHBondContact O-OG1 3.43Å; D104-T107 PolarHBondContact O-N 2.89Å; L105-T107 VanDerWaalsContact C-N 3.33Å; L105-T107 PolarHBondContact O-N 2.91Å; T107-V110 PolarHBondContact O-N 3.29Å; T107-K111 HydrophobicContact CG2-CD 4.2Å; T107-K111 WeakPolarHBondContact O-CG 3.32Å; T107-K111 PolarHBondContact O-N 3.31Å
108A94.5Very high94.7Very high15 Ų1572.7 Ų72.712%0.12439%0.394CS..Hα-helixtrans-65.3-44.8177.400000112.1C78 F81 D104 L105 V110 K111 A112C78-A108 HydrophobicContact CB-CB 3.73Å; C78-A108 WeakPolarHBondContact SG-CB 3.21Å; F81-A108 HydrophobicContact CD2-CB 4.4Å; D104-A108 WeakPolarHBondContact O-CB 3.28Å; D104-A108 PolarHBondContact O-N 3.01Å; L105-A108 PolarHBondContact O-N 2.9Å; A108-V110 VanDerWaalsContact C-N 3.31Å; A108-V110 PolarHBondContact O-N 2.72Å; A108-K111 PolarHBondContact O-N 3.16Å; A108-A112 WeakPolarHBondContact O-CB 3.38Å; A108-A112 PolarHBondContact O-N 2.75Å
109A95Very high94.7Very high5 Ų577.8 Ų77.84%0.04140%0.403CS..Hα-helixtrans-61.5-38.317800000112.4F81 L105 A106 D113 A114 L115 V118F81-A109 HydrophobicContact CD2-CB 4.06Å; F81-A109 HydrophobicContact CE2-CB 4.21Å; L105-A109 WeakPolarHBondContact O-CB 3.49Å; L105-A109 PolarHBondContact O-N 2.87Å; A106-A109 PolarHBondContact O-N 2.99Å; A109-D113 PolarHBondContact O-N 3.4Å; A109-A114 PolarHBondContact O-N 3.07Å; A109-L115 PolarHBondContact O-N 3.01Å; A109-V118 HydrophobicContact CB-CG2 4.26Å
110V95.3Very high94.7Very high95 Ų9571.6 Ų71.658%0.57638%0.381SS*.Hα-helixtrans-65.9-46.3174171.60000111.2A106 T107 A108 A112 D113 L115A106-V110 WeakPolarHBondContact O-CG2 3.43Å; A106-V110 PolarHBondContact O-N 3.46Å; T107-V110 PolarHBondContact O-N 3.29Å; A108-V110 VanDerWaalsContact C-N 3.31Å; A108-V110 PolarHBondContact O-N 2.72Å; V110-A112 VanDerWaalsContact C-N 3.27Å; V110-A112 PolarHBondContact O-N 2.93Å; V110-D113 PolarHBondContact O-N 3.2Å; V110-L115 HydrophobicContact CG2-CD1 3.67Å
111K94.7Very high94.7Very high173 Ų17370.9 Ų70.975%0.75238%0.375SS*.Hα-helixtrans-64.8-32-179.5-75176.6-179.9176.20113T107 A108T107-K111 HydrophobicContact CG2-CD 4.2Å; T107-K111 WeakPolarHBondContact O-CG 3.32Å; T107-K111 PolarHBondContact O-N 3.31Å; A108-K111 PolarHBondContact O-N 3.16Å
112A94Very high94.6Very high31 Ų3171.3 Ų71.326%0.25638%0.379SS..THydrogen-bonded Turntrans-880.8178.400000113.9F81 V82 A108 V110 A114F81-A112 HydrophobicContact CB-CB 4.02Å; V82-A112 HydrophobicContact CG2-CB 4.06Å; A108-A112 WeakPolarHBondContact O-CB 3.38Å; A108-A112 PolarHBondContact O-N 2.75Å; V110-A112 VanDerWaalsContact C-N 3.27Å; V110-A112 PolarHBondContact O-N 2.93Å; A112-A114 HydrophobicContact CB-CB 4.24Å; A112-A114 PolarHBondContact O-N 3.24Å; A112-A114 VanDerWaalsContact O-N 3.17Å
113D92.8Very high94.5Very high138 Ų13870.2 Ų70.274%0.73837%0.373SS*.THydrogen-bonded Turntrans54.227.8-171.5-158.932.3000114A109 V110A109-D113 PolarHBondContact O-N 3.4Å; V110-D113 PolarHBondContact O-N 3.2Å
114A92.7Very high94.4Very high0 Ų067.4 Ų67.40%036%0.36CS..  trans-965.8-177.500000113.1F81 A109 A112 S116 Q117 V118F81-A114 HydrophobicContact CB-CB 4.01Å; F81-A114 HydrophobicContact CG-CB 4.41Å; A109-A114 PolarHBondContact O-N 3.07Å; A112-A114 HydrophobicContact CB-CB 4.24Å; A112-A114 PolarHBondContact O-N 3.24Å; A112-A114 VanDerWaalsContact O-N 3.17Å; A114-S116 PolarHBondContact O-N 3.42Å; A114-Q117 WeakPolarHBondContact O-CA 3.34Å; A114-Q117 WeakPolarHBondContact O-CB 3.26Å; A114-Q117 PolarHBondContact O-N 3.26Å; A114-V118 PolarHBondContact O-N 2.82Å; A114-V118 VanDerWaalsContact O-N 3.16Å
115L91.3Very high94.4Very high111 Ų11165.2 Ų65.258%0.58135%0.345SS*.THydrogen-bonded Turntrans-57.5-36.5-174.4-164.2103.9000112.8A109 V110 Q117A109-L115 PolarHBondContact O-N 3.01Å; V110-L115 HydrophobicContact CG2-CD1 3.67Å; L115-Q117 VanDerWaalsContact C-N 3.3Å
116S93.1Very high94.3Very high85 Ų8567 Ų6759%0.59435%0.354SS*.THydrogen-bonded Turntrans-73.9-22178640000113.4A114A114-S116 PolarHBondContact O-N 3.42Å
117Q94.4Very high94.4Very high58 Ų5865.9 Ų65.927%0.27134%0.343SS..THydrogen-bonded Turntrans-84.7-29.9-179.4-59.2173.2-8.200111.5S88 Y89 A114 L115 R119S88-Q117 CarbonylContact C-O 3.58Å; S88-Q117 VanDerWaalsContact CA-O 3.23Å; S88-Q117 WeakPolarHBondContact CA-O 3.41Å; S88-Q117 WeakPolarHBondContact CB-O 3.47Å; Y89-Q117 HydrophobicContact CD2-CB 3.77Å; Y89-Q117 HydrophobicContact CE2-CB 3.85Å; Y89-Q117 PolarHBondContact N-O 3.37Å; A114-Q117 WeakPolarHBondContact O-CA 3.34Å; A114-Q117 WeakPolarHBondContact O-CB 3.26Å; A114-Q117 PolarHBondContact O-N 3.26Å; L115-Q117 VanDerWaalsContact C-N 3.3Å; Q117-R119 PolarHBondContact O-N 2.58Å; Q117-R119 VanDerWaalsContact O-N 3.08Å
118V95.8Very high94.4Very high36 Ų3663.7 Ų63.722%0.21833%0.328CS..EExtended strand (participates in β ladder)trans-73.299.6173.3-176.50000109.5F81 L91 A109 A114 V121F81-V118 HydrophobicContact CD1-CG2 4.5Å; F81-V118 HydrophobicContact CE1-CG2 3.93Å; F81-V118 HydrophobicContact CE2-CG2 4.37Å; F81-V118 HydrophobicContact CZ-CG2 3.87Å; L91-V118 HydrophobicContact CD1-CG1 4.24Å; A109-V118 HydrophobicContact CB-CG2 4.26Å; A114-V118 PolarHBondContact O-N 2.82Å; A114-V118 VanDerWaalsContact O-N 3.16Å; V118-V121 HydrophobicContact CG1-CG2 4.1Å
119R94.8Very high94.6Very high155 Ų15563.2 Ų63.259%0.58532%0.323SS*.EExtended strand (participates in β ladder)trans-85.2-37.5-172.2-66.3-61.2-169.2-179.80.3113.3Y89 F90 Q117Y89-R119 PolarHBondContact O-N 3.08Å; F90-R119 HydrophobicContact CD1-CB 4.22Å; F90-R119 HydrophobicContact CE1-CB 3.73Å; F90-R119 HydrophobicContact CE1-CG 4.45Å; F90-R119 HydrophobicContact CE2-CB 4.14Å; F90-R119 HydrophobicContact CE2-CG 4.13Å; F90-R119 HydrophobicContact CZ-CB 3.7Å; F90-R119 HydrophobicContact CZ-CG 3.91Å; Q117-R119 PolarHBondContact O-N 2.58Å; Q117-R119 VanDerWaalsContact O-N 3.08Å
120K94Very high94.7Very high57 Ų5764.9 Ų64.925%0.24833%0.333CS..EExtended strand (participates in β ladder)trans-151.7144-173.3-75.2-172.8166.4-172.60110.8F4 N5 F90 L91 F122F4-K120 WeakPolarHBondContact O-CD 3.49Å; F4-K120 PolarHBondContact O-NZ 3.36Å; N5-K120 HydrophobicContact CB-CD 4.21Å; N5-K120 PolarHBondContact O-NZ 2.89Å; N5-K120 VanDerWaalsContact O-NZ 3.15Å; F90-K120 HydrophobicContact CD1-CB 3.94Å; F90-K120 HydrophobicContact CD1-CD 4.07Å; F90-K120 HydrophobicContact CD1-CG 4.16Å; F90-K120 HydrophobicContact CE1-CB 4.48Å; F90-K120 HydrophobicContact CE1-CD 4.11Å; F90-K120 HydrophobicContact CE1-CG 4.24Å; L91-K120 PolarHBondContact N-O 2.86Å; K120-F122 HydrophobicContact CB-CD2 3.94Å; K120-F122 HydrophobicContact CB-CE2 3.9Å; K120-F122 HydrophobicContact CD-CD2 4.3Å; K120-F122 HydrophobicContact CD-CE2 3.62Å; K120-F122 HydrophobicContact CD-CZ 4.45Å; K120-F122 HydrophobicContact CG-CD2 4.49Å; K120-F122 HydrophobicContact CG-CE2 3.95Å
121V95.4Very high94.6Very high63 Ų6360.5 Ų60.538%0.38231%0.306SS..EExtended strand (participates in β ladder)trans-128.8121.4169.8-1740000107.3L91 F93 L102 V118L91-V121 HydrophobicContact CB-CG1 4.45Å; L91-V121 HydrophobicContact CB-CG2 4.36Å; L91-V121 HydrophobicContact CD1-CG2 4.06Å; L91-V121 HydrophobicContact CG-CG2 4.47Å; L91-V121 CarbonylContact O-C 3.52Å; L91-V121 WeakPolarHBondContact O-CA 3.26Å; F93-V121 HydrophobicContact CD2-CG1 4.18Å; F93-V121 HydrophobicContact CE2-CG1 3.89Å; L102-V121 HydrophobicContact CD1-CG1 4.43Å; V118-V121 HydrophobicContact CG1-CG2 4.1Å
122F94.4Very high94.6Very high81 Ų8152.5 Ų52.536%0.35527%0.271SS..EExtended strand (participates in β ladder)trans-134138.3-176.9-85.7-103.3000111.4N5 L91 N92 F93 K120 Q124N5-F122 HydrophobicContact CB-CD2 4.3Å; N5-F122 HydrophobicContact CB-CE1 4.3Å; N5-F122 HydrophobicContact CB-CE2 4.1Å; N5-F122 HydrophobicContact CB-CZ 4.08Å; L91-F122 PolarHBondContact O-N 3.1Å; N92-F122 CarbonylContact C-O 3.57Å; N92-F122 WeakPolarHBondContact CA-O 3.21Å; F93-F122 PolarHBondContact N-O 3.47Å; K120-F122 HydrophobicContact CB-CD2 3.94Å; K120-F122 HydrophobicContact CB-CE2 3.9Å; K120-F122 HydrophobicContact CD-CD2 4.3Å; K120-F122 HydrophobicContact CD-CE2 3.62Å; K120-F122 HydrophobicContact CD-CZ 4.45Å; K120-F122 HydrophobicContact CG-CD2 4.49Å; K120-F122 HydrophobicContact CG-CE2 3.95Å; F122-Q124 VanDerWaalsContact CB-NE2 3.33Å
123D94Very high94.5Very high57 Ų5758 Ų5831%0.30530%0.296SS..EExtended strand (participates in β ladder)trans-87.9120.7160.6-56.6-41.1000108.3L97 Y125L97-D123 PolarHBondContact N-OD1 2.82Å; D123-Y125 HydrophobicContact CB-CD2 4.35Å; D123-Y125 HydrophobicContact CB-CE2 3.83Å
124Q94.4Very high94.6Very high41 Ų4152.5 Ų52.519%0.19227%0.267CS..  trans-88.7-20.7-175.7-68.2-59.3-5800114.1N5 F66 N92 F93 F122 M126N5-Q124 PolarHBondContact ND2-NE2 3.3Å; F66-Q124 HydrophobicContact CE2-CB 4.47Å; F66-Q124 HydrophobicContact CE2-CG 4.36Å; N92-Q124 HydrophobicContact CB-CG 3.8Å; N92-Q124 PolarHBondContact OD1-NE2 2.6Å; F93-Q124 WeakPolarHBondContact O-CB 3.47Å; F93-Q124 PolarHBondContact O-N 3.11Å; F122-Q124 VanDerWaalsContact CB-NE2 3.33Å; Q124-M126 HydrophobicContact CB-CB 4.45Å; Q124-M126 HydrophobicContact CB-CE 3.48Å; Q124-M126 VanDerWaalsContact CB-CE 3.48Å; Q124-M126 HydrophobicContact CB-CG 4.03Å; Q124-M126 HydrophobicContact CB-SD 4.49Å; Q124-M126 HydrophobicContact CG-CE 3.69Å
125Y94.2Very high94.9Very high43 Ų4352.6 Ų52.617%0.16927%0.268CS..  trans53.351.9-174.3-58.2-89.8000112.2I94 P96 D123 F174 S175 V178 L216I94-Y125 PolarHBondContact O-N 2.8Å; P96-Y125 HydrophobicContact CG-CD1 4.05Å; P96-Y125 HydrophobicContact CG-CE1 3.43Å; P96-Y125 VanDerWaalsContact CG-CE1 3.43Å; D123-Y125 HydrophobicContact CB-CD2 4.35Å; D123-Y125 HydrophobicContact CB-CE2 3.83Å; Y125-F174 AromaticContact CD1-CD1 3.96Å; Y125-F174 HydrophobicContact CD1-CD1 3.96Å; Y125-F174 AromaticContact CD1-CE1 3.72Å; Y125-F174 HydrophobicContact CD1-CE1 3.72Å; Y125-F174 HydrophobicContact CE1-CD1 4.19Å; Y125-F174 AromaticContact CE1-CE1 3.59Å; Y125-F174 HydrophobicContact CE1-CE1 3.59Å; Y125-S175 VanDerWaalsContact O-CB 3.24Å; Y125-S175 WeakPolarHBondContact O-CB 3.16Å; Y125-V178 HydrophobicContact CD1-CG2 4.42Å; Y125-V178 HydrophobicContact CD2-CG1 4.32Å; Y125-V178 HydrophobicContact CG-CG1 4.1Å; Y125-L216 HydrophobicContact CD1-CD1 4.44Å; Y125-L216 HydrophobicContact CD2-CD1 4.47Å; Y125-L216 HydrophobicContact CE1-CD1 3.83Å; Y125-L216 HydrophobicContact CE2-CD1 3.9Å; Y125-L216 HydrophobicContact CE2-CD2 4.19Å
126M95.3Very high95.2Very high47 Ų4747.5 Ų47.523%0.23224%0.241CC..  trans-120.240.6-179.2-67.5-166.4-71.600111.4M1 I30 F66 I94 Q124 F128M1-M126 HydrophobicContact SD-CE 4.44Å; I30-M126 WeakPolarHBondContact CD1-O 3.16Å; F66-M126 HydrophobicContact CD2-CE 4.13Å; F66-M126 HydrophobicContact CE2-CE 3.22Å; F66-M126 HydrophobicContact CZ-CB 4.32Å; F66-M126 HydrophobicContact CZ-CE 3.46Å; F66-M126 VanDerWaalsContact CZ-CE 3.46Å; F66-M126 HydrophobicContact CZ-SD 4.49Å; I94-M126 WeakPolarHBondContact CG2-O 3.33Å; I94-M126 PolarHBondContact O-N 2.81Å; Q124-M126 HydrophobicContact CB-CB 4.45Å; Q124-M126 HydrophobicContact CB-CE 3.48Å; Q124-M126 VanDerWaalsContact CB-CE 3.48Å; Q124-M126 HydrophobicContact CB-CG 4.03Å; Q124-M126 HydrophobicContact CB-SD 4.49Å; Q124-M126 HydrophobicContact CG-CE 3.69Å; M126-F128 PolarHBondContact O-N 2.92Å
127S95.5Very high95.4Very high24 Ų2443.8 Ų43.817%0.16821%0.214CC..  trans-79.846.5-177.8-56.50000113.2I94 S95 G172 S175I94-S127 PolarHBondContact O-OG 3.4Å; S95-S127 WeakPolarHBondContact CB-OG 3.35Å; S127-G172 WeakPolarHBondContact O-CA 3.44Å; S127-S175 WeakPolarHBondContact CB-OG 3.37Å; S127-S175 PolarHBondContact N-OG 2.81Å
128F97.6Very high95.6Very high22 Ų2242 Ų4210%0.09621%0.206CC..SBendtrans-159.4157.3176.961.7-85.7000109.9M126 T130 F136 I137 L138 V176 T179M126-F128 PolarHBondContact O-N 2.92Å; F128-T130 WeakPolarHBondContact CE2-OG1 3.34Å; F128-F136 HydrophobicContact CB-CD2 4.25Å; F128-F136 HydrophobicContact CD2-CB 4.05Å; F128-I137 WeakPolarHBondContact CA-O 3.3Å; F128-L138 HydrophobicContact CB-CD2 4.06Å; F128-V176 HydrophobicContact CB-CG2 4.19Å; F128-V176 HydrophobicContact CD1-CG2 3.52Å; F128-V176 HydrophobicContact CD2-CG2 4.03Å; F128-V176 HydrophobicContact CE1-CB 4.45Å; F128-V176 HydrophobicContact CE1-CG2 3.84Å; F128-V176 HydrophobicContact CE2-CG2 4.29Å; F128-V176 HydrophobicContact CG-CG2 3.63Å; F128-V176 HydrophobicContact CZ-CG2 4.21Å; F128-T179 WeakPolarHBondContact CE1-OG1 3.41Å; F128-T179 HydrophobicContact CZ-CG2 4.1Å; F128-T179 WeakPolarHBondContact CZ-OG1 3.42Å
129I97.6Very high95.6Very high6 Ų644.3 Ų44.33%0.03121%0.214CC..EExtended strand (participates in β ladder)trans-110127.4179.1-58.8160.3000107.5D29 I30 P33 L131 F136 I137 R140 L265D29-I129 HydrophobicContact CB-CD1 3.8Å; D29-I129 HydrophobicContact CB-CG1 4.42Å; D29-I129 WeakPolarHBondContact O-CG2 3.42Å; I30-I129 HydrophobicContact CG1-CG1 3.91Å; P33-I129 HydrophobicContact CG-CG2 3.89Å; I129-L131 HydrophobicContact CG2-CD2 3.99Å; I129-F136 CarbonylContact O-C 3.55Å; I129-F136 WeakPolarHBondContact O-CA 3.44Å; I129-F136 WeakPolarHBondContact O-CB 3.18Å; I129-I137 HydrophobicContact CB-CD1 4.4Å; I129-I137 HydrophobicContact CB-CG1 3.74Å; I129-I137 HydrophobicContact CD1-CD1 4.24Å; I129-I137 HydrophobicContact CD1-CG1 4.16Å; I129-I137 HydrophobicContact CG1-CG1 4.49Å; I129-I137 HydrophobicContact CG2-CG1 4.24Å; I129-I137 PolarHBondContact N-O 2.96Å; I129-I137 PolarHBondContact O-N 3.3Å; I129-R140 HydrophobicContact CD1-CB 4.45Å; I129-L265 HydrophobicContact CD1-CD2 4.25Å; I129-L265 HydrophobicContact CG2-CD2 3.83Å
130T96.3Very high95.6Very high39 Ų3939.6 Ų39.624%0.23920%0.196CC..EExtended strand (participates in β ladder)trans-100124.5176.5-58.80000109.4P33 F128 E132P33-T130 WeakPolarHBondContact CB-O 3.5Å; F128-T130 WeakPolarHBondContact CE2-OG1 3.34Å; T130-E132 WeakPolarHBondContact CG2-O 3.44Å
131L95.2Very high95.6Very high3 Ų337.9 Ų37.92%0.01619%0.188CC..EExtended strand (participates in β ladder)trans-104-28.3179.6-61178.3000112.3P33 I129 L135 I137 L265 N266 L586P33-L131 HydrophobicContact CB-CD2 4.1Å; P33-L131 HydrophobicContact CG-CD2 3.9Å; I129-L131 HydrophobicContact CG2-CD2 3.99Å; L131-L135 HydrophobicContact CB-CD2 4.18Å; L131-L135 HydrophobicContact CB-CG 4.42Å; L131-L135 HydrophobicContact CD1-CD2 4.48Å; L131-L135 PolarHBondContact N-O 3.4Å; L131-I137 HydrophobicContact CD1-CD1 4.15Å; L131-I137 HydrophobicContact CD1-CG2 4.3Å; L131-L265 HydrophobicContact CD2-CD2 4.16Å; L131-N266 PolarHBondContact O-ND2 3.48Å; L131-L586 HydrophobicContact CD1-CD1 3.38Å
132E94.1Very high95.5Very high5 Ų537.1 Ų37.12%0.02318%0.183CC..EExtended strand (participates in β ladder)trans-141.7163.5176.4-52-76.8-167.300108.4T130 D134 L135 Q254 W289 K293 Y567T130-E132 WeakPolarHBondContact CG2-O 3.44Å; E132-D134 PolarHBondContact O-N 3.15Å; E132-L135 HydrophobicContact CB-CB 3.64Å; E132-L135 HydrophobicContact CG-CB 3.89Å; E132-L135 HydrophobicContact CG-CD2 3.99Å; E132-L135 PolarHBondContact N-O 2.96Å; E132-L135 PolarHBondContact O-N 3.42Å; E132-L135 VanDerWaalsContact O-O 3.14Å; E132-Q254 PolarHBondContact OE1-NE2 3Å; E132-W289 PolarHBondContact OE1-NE1 3.44Å; E132-K293 VanDerWaalsContact CD-NZ 3.29Å; E132-K293 IonicContact OE1-NZ 3.88Å; E132-K293 IonicContact OE2-NZ 2.65Å; E132-K293 PolarHBondContact OE2-NZ 3.16Å; E132-Y567 WeakPolarHBondContact CB-OH 3.38Å; E132-Y567 HydrophobicContact CG-CE1 4.18Å
133D92.2Very high95.3Very high146 Ų14637.8 Ų37.878%0.78119%0.191SC*.THydrogen-bonded Turntrans-53.8-29179.3-71.2-16.4000113.9
134D95Very high95.1Very high23 Ų2341.4 Ų41.412%0.12321%0.21CC..THydrogen-bonded Turntrans-122.321.7-179.949.3-3.8000113.5E132 Y567 L571 R574 I579 F581E132-D134 PolarHBondContact O-N 3.15Å; D134-Y567 PolarHBondContact OD1-OH 3.22Å; D134-L571 WeakPolarHBondContact OD2-CD2 3.33Å; D134-R574 IonicContact OD2-NH1 3.42Å; D134-R574 PolarHBondContact OD2-NH1 3.21Å; D134-I579 WeakPolarHBondContact CB-O 3.17Å; D134-F581 PolarHBondContact O-N 3Å
135L97.3Very high95Very high2 Ų239.5 Ų39.51%0.0120%0.201CC..EExtended strand (participates in β ladder)trans-133.1124.2175.6-176.661.1000112.7L131 E132 Y564 Y567 F581 L586L131-L135 HydrophobicContact CB-CD2 4.18Å; L131-L135 HydrophobicContact CB-CG 4.42Å; L131-L135 HydrophobicContact CD1-CD2 4.48Å; L131-L135 PolarHBondContact N-O 3.4Å; E132-L135 HydrophobicContact CB-CB 3.64Å; E132-L135 HydrophobicContact CG-CB 3.89Å; E132-L135 HydrophobicContact CG-CD2 3.99Å; E132-L135 PolarHBondContact N-O 2.96Å; E132-L135 PolarHBondContact O-N 3.42Å; E132-L135 VanDerWaalsContact O-O 3.14Å; L135-Y564 HydrophobicContact CD2-CD1 4.13Å; L135-Y564 HydrophobicContact CD2-CE1 3.51Å; L135-Y567 HydrophobicContact CB-CD2 4.31Å; L135-Y567 HydrophobicContact CB-CE2 3.96Å; L135-Y567 HydrophobicContact CD1-CD2 4.14Å; L135-Y567 HydrophobicContact CD1-CG 4.3Å; L135-Y567 HydrophobicContact CD2-CD1 4.24Å; L135-Y567 HydrophobicContact CD2-CE1 4.32Å; L135-Y567 HydrophobicContact CD2-CG 4.36Å; L135-F581 WeakPolarHBondContact CA-O 3.11Å; L135-F581 HydrophobicContact CD1-CB 4.31Å; L135-F581 HydrophobicContact CD1-CD1 3.52Å; L135-F581 HydrophobicContact CD1-CE1 4.28Å; L135-F581 HydrophobicContact CD1-CG 4.31Å; L135-L586 HydrophobicContact CD2-CD1 4.42Å
136F98.2Very high95Very high5 Ų539.8 Ų39.82%0.02221%0.208CC..EExtended strand (participates in β ladder)trans-130.2155.5170.472.2-88.4000113.5F128 I129 L138 L173 V176 I555 F557 I580 F581 G582 C583F128-F136 HydrophobicContact CB-CD2 4.25Å; F128-F136 HydrophobicContact CD2-CB 4.05Å; I129-F136 CarbonylContact O-C 3.55Å; I129-F136 WeakPolarHBondContact O-CA 3.44Å; I129-F136 WeakPolarHBondContact O-CB 3.18Å; F136-L138 HydrophobicContact CD2-CD2 4.22Å; F136-L138 HydrophobicContact CE2-CD2 4.04Å; F136-L173 HydrophobicContact CE2-CD2 4.19Å; F136-L173 HydrophobicContact CZ-CD2 3.98Å; F136-V176 HydrophobicContact CD1-CG2 4.44Å; F136-V176 HydrophobicContact CD2-CG2 3.9Å; F136-V176 HydrophobicContact CE1-CG1 4.14Å; F136-V176 HydrophobicContact CE1-CG2 4.3Å; F136-V176 HydrophobicContact CE2-CG2 3.75Å; F136-V176 HydrophobicContact CG-CG2 4.25Å; F136-V176 HydrophobicContact CZ-CG1 4.27Å; F136-V176 HydrophobicContact CZ-CG2 3.94Å; F136-I555 HydrophobicContact CE1-CG2 4.04Å; F136-I555 HydrophobicContact CZ-CG2 4.28Å; F136-F557 AromaticContact CE2-CD2 3.76Å; F136-F557 HydrophobicContact CE2-CD2 3.76Å; F136-F557 AromaticContact CE2-CE2 3.83Å; F136-F557 HydrophobicContact CE2-CE2 3.83Å; F136-F557 AromaticContact CZ-CD2 3.84Å; F136-F557 HydrophobicContact CZ-CD2 3.84Å; F136-F557 HydrophobicContact CZ-CE2 4.39Å; F136-I580 HydrophobicContact CD1-CG2 3.78Å; F136-I580 HydrophobicContact CE1-CG2 3.87Å; F136-F581 WeakPolarHBondContact CD1-O 3.37Å; F136-F581 PolarHBondContact N-O 3.3Å; F136-G582 WeakPolarHBondContact O-CA 3.41Å; F136-C583 PolarHBondContact O-N 2.99Å
137I98.2Very high94.9Very high7 Ų738 Ų384%0.03620%0.199CC..EExtended strand (participates in β ladder)trans-127.5148.5169.864.7178.6000109.2F128 I129 L131 C583 L586F128-I137 WeakPolarHBondContact CA-O 3.3Å; I129-I137 HydrophobicContact CB-CD1 4.4Å; I129-I137 HydrophobicContact CB-CG1 3.74Å; I129-I137 HydrophobicContact CD1-CD1 4.24Å; I129-I137 HydrophobicContact CD1-CG1 4.16Å; I129-I137 HydrophobicContact CG1-CG1 4.49Å; I129-I137 HydrophobicContact CG2-CG1 4.24Å; I129-I137 PolarHBondContact N-O 2.96Å; I129-I137 PolarHBondContact O-N 3.3Å; L131-I137 HydrophobicContact CD1-CD1 4.15Å; L131-I137 HydrophobicContact CD1-CG2 4.3Å; I137-C583 WeakPolarHBondContact CA-O 3.35Å; I137-L586 HydrophobicContact CG2-CB 4.45Å; I137-L586 HydrophobicContact CG2-CD1 4Å; I137-L586 HydrophobicContact CG2-CG 3.77Å
138L97.7Very high94.9Very high19 Ų1936.9 Ų36.910%0.09919%0.192CC..SBendtrans-78-33.3176.9-62.1-166.4000112.4F128 F136 L147 M169 F557 C583 T584F128-L138 HydrophobicContact CB-CD2 4.06Å; F136-L138 HydrophobicContact CD2-CD2 4.22Å; F136-L138 HydrophobicContact CE2-CD2 4.04Å; L138-L147 HydrophobicContact CB-CD1 3.97Å; L138-L147 HydrophobicContact CD1-CD1 4.5Å; L138-M169 HydrophobicContact CD1-CB 4.18Å; L138-M169 HydrophobicContact CD1-CG 4.09Å; L138-F557 HydrophobicContact CD1-CE1 4.36Å; L138-F557 HydrophobicContact CD1-CE2 3.99Å; L138-F557 HydrophobicContact CD1-CZ 3.44Å; L138-F557 VanDerWaalsContact CD1-CZ 3.44Å; L138-F557 HydrophobicContact CD2-CE2 4.15Å; L138-F557 HydrophobicContact CD2-CZ 4.44Å; L138-F557 HydrophobicContact CG-CE2 3.75Å; L138-F557 HydrophobicContact CG-CZ 3.68Å; L138-C583 PolarHBondContact N-O 3.14Å; L138-T584 PolarHBondContact N-O 2.95Å
139K95.6Very high94.7Very high86 Ų8636.1 Ų36.137%0.37419%0.189SC..SBendtrans-147.2147.1-178.5-155166.1-174.3168.80111L147 T584K139-L147 HydrophobicContact CB-CD1 4.07Å; K139-L147 HydrophobicContact CD-CD1 4.48Å; K139-T584 PolarHBondContact N-O 3.36Å
140R94.9Very high94.5Very high56 Ų5637.2 Ų37.221%0.21119%0.192CC..  trans-62.4138.2166.9-171.5174.972.4101.19.6109.1D29 I129 T142 E264 L265D29-R140 IonicContact OD1-NE 2.6Å; D29-R140 IonicContact OD2-NE 3.81Å; I129-R140 HydrophobicContact CD1-CB 4.45Å; R140-T142 PolarHBondContact O-N 3.16Å; R140-E264 IonicContact CZ-OE2 2.87Å; R140-E264 IonicContact NH1-OE2 2.74Å; R140-E264 PolarHBondContact NH1-OE2 3.42Å; R140-L265 HydrophobicContact CG-CD2 4.49Å; R140-L265 HydrophobicContact CG-CG 4.36Å
141Y94.4Very high94.4Very high20 Ų2036 Ų368%0.07819%0.186CC..  trans-58.4137.3175.1176.7-92.3000110.6D143 V587 Q591Y141-D143 WeakPolarHBondContact CE1-OD1 3.48Å; Y141-D143 PolarHBondContact OH-OD1 3.03Å; Y141-D143 VanDerWaalsContact OH-OD1 3.08Å; Y141-V587 HydrophobicContact CD2-CG1 3.97Å; Y141-V587 HydrophobicContact CE2-CG1 4.26Å; Y141-Q591 HydrophobicContact CD1-CG 4.14Å; Y141-Q591 VanDerWaalsContact CD1-NE2 3.28Å; Y141-Q591 HydrophobicContact CE1-CB 4.23Å; Y141-Q591 HydrophobicContact CE1-CG 3.62Å; Y141-Q591 HydrophobicContact CE2-CB 3.97Å; Y141-Q591 HydrophobicContact CE2-CG 4.25Å
142T94.1Very high94.2Very high47 Ų4736.5 Ų36.529%0.28819%0.188SC..  trans-148.7150.8167.559.20000107.7R140 D144 S145R140-T142 PolarHBondContact O-N 3.16Å; T142-D144 PolarHBondContact O-N 2.76Å; T142-S145 WeakPolarHBondContact O-CB 3.37Å; T142-S145 PolarHBondContact O-N 2.87Å; T142-S145 WeakPolarHBondContact OG1-CA 3.35Å; T142-S145 PolarHBondContact OG1-N 3.27Å
143D89.8Confident93.9Very high96 Ų9639.2 Ų39.251%0.51320%0.203SC..THydrogen-bonded Turntrans-57-30.6-179.7-57.7-34.1000112.7Y141 R598Y141-D143 WeakPolarHBondContact CE1-OD1 3.48Å; Y141-D143 PolarHBondContact OH-OD1 3.03Å; Y141-D143 VanDerWaalsContact OH-OD1 3.08Å; D143-R598 PolarHBondContact O-NH1 3Å
144D89.9Confident93.8Very high133 Ų13335.7 Ų35.771%0.71118%0.179SC*.THydrogen-bonded Turntrans-100.226.2176.9-59.4-47.3000113.4T142 P146T142-D144 PolarHBondContact O-N 2.76Å; D144-P146 WeakPolarHBondContact O-CD 3.39Å
145S92.9Very high93Very high0 Ų038.1 Ų38.10%020%0.195CC..  trans-62.7125.3-179175.60000110.6T142 L147 S148 S151 E585T142-S145 WeakPolarHBondContact O-CB 3.37Å; T142-S145 PolarHBondContact O-N 2.87Å; T142-S145 WeakPolarHBondContact OG1-CA 3.35Å; T142-S145 PolarHBondContact OG1-N 3.27Å; S145-L147 PolarHBondContact O-N 2.9Å; S145-L147 PolarHBondContact OG-N 3.34Å; S145-S148 WeakPolarHBondContact O-CB 3.46Å; S145-S148 PolarHBondContact O-N 2.9Å; S145-S148 PolarHBondContact O-OG 3.43Å; S145-S151 PolarHBondContact O-OG 2.92Å; S145-E585 WeakPolarHBondContact CB-OE2 3.39Å; S145-E585 PolarHBondContact OG-OE2 3.49Å
146P92.6Very high92.2Very high49 Ų4946.5 Ų46.532%0.31824%0.235SC..THydrogen-bonded Turntrans-71.1-15.6177.429.3-34.6000112.3D144 S151 I165D144-P146 WeakPolarHBondContact O-CD 3.39Å; P146-S151 WeakPolarHBondContact O-CB 3.49Å; P146-I165 HydrophobicContact CB-CG1 4.4Å; P146-I165 WeakPolarHBondContact O-CD1 3.44Å; P146-I165 WeakPolarHBondContact O-CG1 3.37Å
147L94.1Very high91.5Very high9 Ų948.6 Ų48.65%0.04725%0.245CC..THydrogen-bonded Turntrans-99.78.5180-50.9-175.6000112.9L138 K139 S145 I165 A168 M169 T584L138-L147 HydrophobicContact CB-CD1 3.97Å; L138-L147 HydrophobicContact CD1-CD1 4.5Å; K139-L147 HydrophobicContact CB-CD1 4.07Å; K139-L147 HydrophobicContact CD-CD1 4.48Å; S145-L147 PolarHBondContact O-N 2.9Å; S145-L147 PolarHBondContact OG-N 3.34Å; L147-I165 HydrophobicContact CD2-CG2 3.94Å; L147-A168 HydrophobicContact CD2-CB 4.28Å; L147-M169 HydrophobicContact CD2-CG 4.07Å; L147-T584 HydrophobicContact CB-CG2 4.07Å; L147-T584 VanDerWaalsContact O-CB 3.31Å; L147-T584 WeakPolarHBondContact O-CB 3.18Å; L147-T584 PolarHBondContact O-OG1 2.9Å; L147-T584 VanDerWaalsContact O-OG1 3.08Å
148S94.6Very high91Very high2 Ų251.5 Ų51.51%0.01426%0.261CS..SBendtrans-71.4158.1178.166.10000112.1S145 Y150 S151 I152 E585S145-S148 WeakPolarHBondContact O-CB 3.46Å; S145-S148 PolarHBondContact O-N 2.9Å; S145-S148 PolarHBondContact O-OG 3.43Å; S148-Y150 PolarHBondContact O-N 2.81Å; S148-S151 PolarHBondContact O-N 2.83Å; S148-S151 WeakPolarHBondContact OG-CB 3.47Å; S148-S151 PolarHBondContact OG-N 2.8Å; S148-S151 VanDerWaalsContact OG-N 3.16Å; S148-S151 PolarHBondContact OG-OG 2.95Å; S148-S151 VanDerWaalsContact OG-OG 3.12Å; S148-I152 WeakPolarHBondContact O-CD1 3.38Å; S148-I152 VanDerWaalsContact O-CG1 3.32Å; S148-I152 WeakPolarHBondContact O-CG1 3.24Å; S148-I152 PolarHBondContact O-N 2.73Å; S148-I152 VanDerWaalsContact O-N 3.17Å; S148-E585 WeakPolarHBondContact CA-OE1 3.21Å; S148-E585 WeakPolarHBondContact CB-OE1 3.31Å
149F94.4Very high90.5Very high6 Ų655.6 Ų55.63%0.02629%0.287CS..Hα-helixtrans-58.6-38.1173.2-173.9-102.2000111.5N153 R239 L243 Y453 G560 F592 L596 L599F149-N153 WeakPolarHBondContact CD2-ND2 3.09Å; F149-N153 WeakPolarHBondContact CE2-ND2 3.4Å; F149-N153 WeakPolarHBondContact O-CB 3.17Å; F149-N153 PolarHBondContact O-N 2.96Å; F149-N153 PolarHBondContact O-ND2 2.86Å; F149-R239 HydrophobicContact CD2-CB 3.68Å; F149-R239 HydrophobicContact CD2-CG 3.88Å; F149-R239 HydrophobicContact CE2-CB 3.89Å; F149-R239 HydrophobicContact CE2-CG 4.11Å; F149-L243 HydrophobicContact CE2-CD2 4.25Å; F149-L243 HydrophobicContact CZ-CD2 3.92Å; F149-Y453 AromaticContact CE1-CE1 3.79Å; F149-Y453 HydrophobicContact CE1-CE1 3.79Å; F149-Y453 HydrophobicContact CZ-CE1 4.21Å; F149-G560 WeakPolarHBondContact CB-O 3.5Å; F149-F592 HydrophobicContact CB-CE2 3.93Å; F149-F592 HydrophobicContact CD1-CE2 4.09Å; F149-F592 HydrophobicContact CD1-CZ 4.38Å; F149-F592 HydrophobicContact CD2-CE2 4.47Å; F149-F592 AromaticContact CG-CE2 3.92Å; F149-F592 HydrophobicContact CG-CE2 3.92Å; F149-F592 HydrophobicContact CG-CZ 4.45Å; F149-L596 HydrophobicContact CD1-CD1 4.1Å; F149-L596 HydrophobicContact CE1-CD1 4.2Å; F149-L599 HydrophobicContact CD1-CD1 3.81Å; F149-L599 HydrophobicContact CE1-CD1 3.77Å
150Y94.1Very high90.4Very high28 Ų2857 Ų5711%0.1130%0.298CS..Hα-helixtrans-57.3-55.6173.6165.9-95.1000111.6S148 I152 N153 R154 R598 L599 E602S148-Y150 PolarHBondContact O-N 2.81Å; Y150-I152 VanDerWaalsContact C-N 3.26Å; Y150-I152 PolarHBondContact O-N 3.44Å; Y150-N153 PolarHBondContact O-N 3.19Å; Y150-R154 PolarHBondContact O-N 2.91Å; Y150-R598 HydrophobicContact CD2-CB 3.58Å; Y150-R598 HydrophobicContact CE2-CB 3.67Å; Y150-R598 HydrophobicContact CG-CB 4.48Å; Y150-L599 HydrophobicContact CD2-CD2 3.75Å; Y150-L599 HydrophobicContact CD2-CG 3.8Å; Y150-L599 HydrophobicContact CE2-CD2 4.25Å; Y150-L599 HydrophobicContact CG-CD2 4.49Å; Y150-E602 WeakPolarHBondContact CE2-OE1 3.3Å; Y150-E602 VanDerWaalsContact CZ-OE1 3.25Å; Y150-E602 PolarHBondContact OH-OE1 2.71Å
151S92.4Very high90.3Very high14 Ų1456.2 Ų56.210%0.09830%0.3CS..Hα-helixtrans-60.3-36.2-175.6-67.90000112.7S145 P146 S148 M157S145-S151 PolarHBondContact O-OG 2.92Å; P146-S151 WeakPolarHBondContact O-CB 3.49Å; S148-S151 PolarHBondContact O-N 2.83Å; S148-S151 WeakPolarHBondContact OG-CB 3.47Å; S148-S151 PolarHBondContact OG-N 2.8Å; S148-S151 VanDerWaalsContact OG-N 3.16Å; S148-S151 PolarHBondContact OG-OG 2.95Å; S148-S151 VanDerWaalsContact OG-OG 3.12Å; S151-M157 VanDerWaalsContact O-SD 3.34Å
152I91Very high90.2Very high13 Ų1356.6 Ų56.67%0.06730%0.303CS..Hα-helixtrans-76.9-19.3-179.9-61.7166.3000112.5S148 Y150 M157 M162 I165 A193 I559S148-I152 WeakPolarHBondContact O-CD1 3.38Å; S148-I152 VanDerWaalsContact O-CG1 3.32Å; S148-I152 WeakPolarHBondContact O-CG1 3.24Å; S148-I152 PolarHBondContact O-N 2.73Å; S148-I152 VanDerWaalsContact O-N 3.17Å; Y150-I152 VanDerWaalsContact C-N 3.26Å; Y150-I152 PolarHBondContact O-N 3.44Å; I152-M157 WeakPolarHBondContact O-CE 3.46Å; I152-M162 HydrophobicContact CG2-CE 4.5Å; I152-I165 HydrophobicContact CG1-CG2 4.11Å; I152-A193 HydrophobicContact CG2-CB 4.07Å; I152-I559 HydrophobicContact CD1-CG2 3.62Å
153N89.6Confident90.2Very high62 Ų6258.1 Ų58.133%0.33231%0.309SS..Hα-helixtrans-118.25.7-175.2-67-84.3000114.1F149 Y150 L599F149-N153 WeakPolarHBondContact CD2-ND2 3.09Å; F149-N153 WeakPolarHBondContact CE2-ND2 3.4Å; F149-N153 WeakPolarHBondContact O-CB 3.17Å; F149-N153 PolarHBondContact O-N 2.96Å; F149-N153 PolarHBondContact O-ND2 2.86Å; Y150-N153 PolarHBondContact O-N 3.19Å; N153-L599 HydrophobicContact CB-CD1 4.02Å; N153-L599 HydrophobicContact CB-CD2 4.17Å
154R88.2Confident90.4Very high73 Ų7359.9 Ų59.928%0.27531%0.314SS..  trans-63.3138.2178.970.5-175-178.1165.14.8111.3Y150 E156 M157 L599Y150-R154 PolarHBondContact O-N 2.91Å; R154-E156 VanDerWaalsContact C-N 3.31Å; R154-E156 PolarHBondContact O-N 3.26Å; R154-M157 HydrophobicContact CG-CB 3.78Å; R154-M157 WeakPolarHBondContact O-CB 3.35Å; R154-M157 PolarHBondContact O-N 2.96Å; R154-L599 HydrophobicContact CB-CD2 4.5Å
155P79.4Confident90.6Very high73 Ų7353.9 Ų53.947%0.47428%0.282SS..THydrogen-bonded Turntrans-62.1-33.1-177-23.733.9000114.6M157 E602P155-M157 VanDerWaalsContact C-N 3.29Å; P155-M157 PolarHBondContact O-N 3.22Å; P155-E602 WeakPolarHBondContact CD-OE2 3.33Å
156E81Confident90.7Very high179 Ų17954 Ų5484%0.83628%0.283SS*.THydrogen-bonded Turntrans-91.321.3-176.1-59.4-172.8166.900113.3R154 D158R154-E156 VanDerWaalsContact C-N 3.31Å; R154-E156 PolarHBondContact O-N 3.26Å; E156-D158 PolarHBondContact O-N 3.43Å; E156-D158 VanDerWaalsContact O-N 3.16Å
157M82.3Confident90.9Very high49 Ų4952.8 Ų52.824%0.24128%0.276CS..  trans-69.7113.8-179.8-173.5163.346.400111.5S151 I152 R154 P155 M162S151-M157 VanDerWaalsContact O-SD 3.34Å; I152-M157 WeakPolarHBondContact O-CE 3.46Å; R154-M157 HydrophobicContact CG-CB 3.78Å; R154-M157 WeakPolarHBondContact O-CB 3.35Å; R154-M157 PolarHBondContact O-N 2.96Å; P155-M157 VanDerWaalsContact C-N 3.29Å; P155-M157 PolarHBondContact O-N 3.22Å; M157-M162 HydrophobicContact CE-SD 3.81Å; M157-M162 HydrophobicContact CG-CB 4.18Å; M157-M162 HydrophobicContact SD-CB 4.12Å; M157-M162 HydrophobicContact SD-CG 4.33Å; M157-M162 HydrophobicContact SD-SD 3.55Å
158D87.6Confident90.9Very high67 Ų6754.6 Ų54.636%0.35829%0.293SS..  trans-75.3156.2172.873.995000111.9E156 N160 T161 M162E156-D158 PolarHBondContact O-N 3.43Å; E156-D158 VanDerWaalsContact O-N 3.16Å; D158-N160 VanDerWaalsContact C-N 3.32Å; D158-N160 PolarHBondContact O-N 2.84Å; D158-N160 WeakPolarHBondContact OD1-CA 3.5Å; D158-N160 WeakPolarHBondContact OD1-CB 3.19Å; D158-N160 PolarHBondContact OD1-N 3.01Å; D158-T161 VanDerWaalsContact CG-OG1 3.32Å; D158-T161 PolarHBondContact O-N 3.39Å; D158-T161 PolarHBondContact OD1-N 3.49Å; D158-T161 PolarHBondContact OD1-OG1 3.42Å; D158-T161 WeakPolarHBondContact OD2-CB 3.4Å; D158-T161 PolarHBondContact OD2-OG1 2.84Å; D158-M162 PolarHBondContact O-N 3.02Å; D158-M162 VanDerWaalsContact O-N 3.1Å
159T88.4Confident91Very high106 Ų10654.5 Ų54.565%0.6529%0.292SS*.Hα-helixtrans-63.3-34.7-176.6-46.60000113M162 D163T159-M162 PolarHBondContact O-N 3.42Å; T159-D163 WeakPolarHBondContact O-CB 3.35Å; T159-D163 PolarHBondContact O-N 3.49Å
160N92.8Very high91.2Very high115 Ų11554.2 Ų54.262%0.61529%0.291SS*.Hα-helixtrans-70.5-45.6-178.1-63.7-25.7000110.7D158 M162 D163 E164D158-N160 VanDerWaalsContact C-N 3.32Å; D158-N160 PolarHBondContact O-N 2.84Å; D158-N160 WeakPolarHBondContact OD1-CA 3.5Å; D158-N160 WeakPolarHBondContact OD1-CB 3.19Å; D158-N160 PolarHBondContact OD1-N 3.01Å; N160-M162 VanDerWaalsContact C-N 3.28Å; N160-M162 PolarHBondContact O-N 2.84Å; N160-D163 WeakPolarHBondContact O-CB 3.46Å; N160-D163 PolarHBondContact O-N 3.46Å; N160-D163 VanDerWaalsContact O-N 3.15Å; N160-E164 WeakPolarHBondContact O-CG 3.27Å; N160-E164 PolarHBondContact O-N 2.91Å
161T92.2Very high91.2Very high39 Ų3954.9 Ų54.924%0.23930%0.297CS..Hα-helixtrans-61.3-40.5175.9-580000110.8D158 D163 E164 I165D158-T161 VanDerWaalsContact CG-OG1 3.32Å; D158-T161 PolarHBondContact O-N 3.39Å; D158-T161 PolarHBondContact OD1-N 3.49Å; D158-T161 PolarHBondContact OD1-OG1 3.42Å; D158-T161 WeakPolarHBondContact OD2-CB 3.4Å; D158-T161 PolarHBondContact OD2-OG1 2.84Å; T161-D163 VanDerWaalsContact C-N 3.34Å; T161-D163 PolarHBondContact O-N 3.4Å; T161-E164 PolarHBondContact O-N 3.29Å; T161-I165 HydrophobicContact CG2-CD1 3.9Å; T161-I165 HydrophobicContact CG2-CG1 4.46Å; T161-I165 WeakPolarHBondContact O-CG1 3.47Å; T161-I165 PolarHBondContact O-N 3.15Å
162M92Very high91.5Very high28 Ų2854.3 Ų54.314%0.13829%0.292CS..Hα-helixtrans-62.1-42.4175.1-172.757.9-176.400111.6I152 M157 D158 T159 N160 E164 I165 V166 A193 L196I152-M162 HydrophobicContact CG2-CE 4.5Å; M157-M162 HydrophobicContact CE-SD 3.81Å; M157-M162 HydrophobicContact CG-CB 4.18Å; M157-M162 HydrophobicContact SD-CB 4.12Å; M157-M162 HydrophobicContact SD-CG 4.33Å; M157-M162 HydrophobicContact SD-SD 3.55Å; D158-M162 PolarHBondContact O-N 3.02Å; D158-M162 VanDerWaalsContact O-N 3.1Å; T159-M162 PolarHBondContact O-N 3.42Å; N160-M162 VanDerWaalsContact C-N 3.28Å; N160-M162 PolarHBondContact O-N 2.84Å; M162-E164 VanDerWaalsContact C-N 3.31Å; M162-E164 PolarHBondContact O-N 2.91Å; M162-I165 PolarHBondContact O-N 2.93Å; M162-V166 HydrophobicContact CE-CG2 3.79Å; M162-V166 HydrophobicContact CG-CG2 4.41Å; M162-V166 WeakPolarHBondContact O-CB 2.91Å; M162-V166 VanDerWaalsContact O-CG2 3.26Å; M162-V166 WeakPolarHBondContact O-CG2 3.4Å; M162-V166 PolarHBondContact O-N 2.92Å; M162-V166 HydrophobicContact SD-CG2 4.35Å; M162-A193 HydrophobicContact CE-CB 3.76Å; M162-L196 HydrophobicContact CE-CD1 3.91Å
163D94.1Very high91.8Very high79 Ų7953.7 Ų53.742%0.42229%0.289SS..Hα-helixtrans-63.5-35.1176.9-81.5-24.3000113.1T159 N160 T161 A167 K200T159-D163 WeakPolarHBondContact O-CB 3.35Å; T159-D163 PolarHBondContact O-N 3.49Å; N160-D163 WeakPolarHBondContact O-CB 3.46Å; N160-D163 PolarHBondContact O-N 3.46Å; N160-D163 VanDerWaalsContact O-N 3.15Å; T161-D163 VanDerWaalsContact C-N 3.34Å; T161-D163 PolarHBondContact O-N 3.4Å; D163-A167 WeakPolarHBondContact O-CB 3.3Å; D163-A167 PolarHBondContact O-N 3Å; D163-K200 PolarHBondContact O-NZ 3.42Å
164E93.9Very high92.1Very high133 Ų13351.5 Ų51.562%0.62128%0.277SS*.Hα-helixtrans-67.7-45.8173.5-72.3177.4-175.800111.7N160 T161 M162 A167 A168N160-E164 WeakPolarHBondContact O-CG 3.27Å; N160-E164 PolarHBondContact O-N 2.91Å; T161-E164 PolarHBondContact O-N 3.29Å; M162-E164 VanDerWaalsContact C-N 3.31Å; M162-E164 PolarHBondContact O-N 2.91Å; E164-A167 PolarHBondContact O-N 3.33Å; E164-A168 WeakPolarHBondContact O-CB 3.34Å; E164-A168 PolarHBondContact O-N 3.4Å
165I94.5Very high92.5Very high8 Ų848.1 Ų48.14%0.04126%0.264CS..Hα-helixtrans-61.8-46.4176.7-70.3165.7000110.4P146 L147 I152 T161 M162 A167 A168 M169P146-I165 HydrophobicContact CB-CG1 4.4Å; P146-I165 WeakPolarHBondContact O-CD1 3.44Å; P146-I165 WeakPolarHBondContact O-CG1 3.37Å; L147-I165 HydrophobicContact CD2-CG2 3.94Å; I152-I165 HydrophobicContact CG1-CG2 4.11Å; T161-I165 HydrophobicContact CG2-CD1 3.9Å; T161-I165 HydrophobicContact CG2-CG1 4.46Å; T161-I165 WeakPolarHBondContact O-CG1 3.47Å; T161-I165 PolarHBondContact O-N 3.15Å; M162-I165 PolarHBondContact O-N 2.93Å; I165-A167 VanDerWaalsContact C-N 3.35Å; I165-A167 PolarHBondContact O-N 3.42Å; I165-A168 PolarHBondContact O-N 3.03Å; I165-M169 HydrophobicContact CG2-CE 3.59Å; I165-M169 PolarHBondContact O-N 3.44Å
166V96.2Very high93.3Very high3 Ų344.9 Ų44.92%0.01824%0.244CC..Hα-helixtrans-62.5-41.6175.7170.70000111.2M162 M169 A170 L196 V197 K200M162-V166 HydrophobicContact CE-CG2 3.79Å; M162-V166 HydrophobicContact CG-CG2 4.41Å; M162-V166 WeakPolarHBondContact O-CB 2.91Å; M162-V166 VanDerWaalsContact O-CG2 3.26Å; M162-V166 WeakPolarHBondContact O-CG2 3.4Å; M162-V166 PolarHBondContact O-N 2.92Å; M162-V166 HydrophobicContact SD-CG2 4.35Å; V166-M169 HydrophobicContact CG2-CE 4.44Å; V166-M169 PolarHBondContact O-N 3.2Å; V166-A170 WeakPolarHBondContact O-CB 3.43Å; V166-A170 PolarHBondContact O-N 3.45Å; V166-L196 HydrophobicContact CG1-CB 4.02Å; V166-L196 HydrophobicContact CG2-CB 3.93Å; V166-L196 HydrophobicContact CG2-CD1 4.27Å; V166-V197 HydrophobicContact CG1-CG2 4.11Å; V166-V197 HydrophobicContact CG2-CG2 4.38Å; V166-K200 HydrophobicContact CG1-CB 4.26Å; V166-K200 HydrophobicContact CG1-CD 3.9Å
167A95.2Very high94Very high22 Ų2236.5 Ų36.518%0.18220%0.204CC..Hα-helixtrans-61.3-47176.100000111.7D163 E164 I165 M169 A170 D171D163-A167 WeakPolarHBondContact O-CB 3.3Å; D163-A167 PolarHBondContact O-N 3Å; E164-A167 PolarHBondContact O-N 3.33Å; I165-A167 VanDerWaalsContact C-N 3.35Å; I165-A167 PolarHBondContact O-N 3.42Å; A167-M169 VanDerWaalsContact C-N 3.34Å; A167-M169 PolarHBondContact O-N 2.87Å; A167-A170 PolarHBondContact O-N 3.06Å; A167-D171 WeakPolarHBondContact O-CB 3.44Å; A167-D171 PolarHBondContact O-N 2.92Å
168A95.1Very high94.5Very high47 Ų4735 Ų3539%0.38820%0.198SC..Hα-helixtrans-60.1-42.7178.600000112.1L147 E164 I165 D171 G172L147-A168 HydrophobicContact CD2-CB 4.28Å; E164-A168 WeakPolarHBondContact O-CB 3.34Å; E164-A168 PolarHBondContact O-N 3.4Å; I165-A168 PolarHBondContact O-N 3.03Å; A168-D171 PolarHBondContact O-N 3.15Å; A168-G172 PolarHBondContact O-N 3.01Å
169M97.4Very high94.7Very high0 Ų035.3 Ų35.30%020%0.203CC..Hα-helixtrans-64.1-44.3175.1-71.9-172.8-7700112.5L138 L147 I165 V166 A167 D171 G172 L173 V197 I559 T584L138-M169 HydrophobicContact CD1-CB 4.18Å; L138-M169 HydrophobicContact CD1-CG 4.09Å; L147-M169 HydrophobicContact CD2-CG 4.07Å; I165-M169 HydrophobicContact CG2-CE 3.59Å; I165-M169 PolarHBondContact O-N 3.44Å; V166-M169 HydrophobicContact CG2-CE 4.44Å; V166-M169 PolarHBondContact O-N 3.2Å; A167-M169 VanDerWaalsContact C-N 3.34Å; A167-M169 PolarHBondContact O-N 2.87Å; M169-D171 VanDerWaalsContact C-N 3.34Å; M169-D171 PolarHBondContact O-N 2.98Å; M169-G172 PolarHBondContact O-N 2.87Å; M169-L173 PolarHBondContact O-N 3.24Å; M169-V197 HydrophobicContact CB-CG1 4.06Å; M169-V197 HydrophobicContact CB-CG2 3.89Å; M169-V197 HydrophobicContact CE-CG2 3.54Å; M169-V197 HydrophobicContact SD-CG2 4.06Å; M169-I559 HydrophobicContact CE-CG2 4.38Å; M169-I559 HydrophobicContact SD-CB 4.46Å; M169-I559 HydrophobicContact SD-CD1 4.19Å; M169-I559 HydrophobicContact SD-CG1 3.94Å; M169-I559 HydrophobicContact SD-CG2 3.84Å; M169-T584 HydrophobicContact CG-CG2 4.11Å; M169-T584 HydrophobicContact SD-CG2 3.6Å; M169-T584 VanDerWaalsContact SD-CG2 3.6Å
170A97.2Very high94.8Very high0 Ų032.4 Ų32.40%018%0.183CC..Hα-helixtrans-64.4-37.6177.500000112.1V166 A167 F174 K200 L201 K204V166-A170 WeakPolarHBondContact O-CB 3.43Å; V166-A170 PolarHBondContact O-N 3.45Å; A167-A170 PolarHBondContact O-N 3.06Å; A170-F174 WeakPolarHBondContact O-CB 3.29Å; A170-F174 PolarHBondContact O-N 3.21Å; A170-K200 HydrophobicContact CB-CB 4.14Å; A170-K200 HydrophobicContact CB-CG 4.32Å; A170-L201 HydrophobicContact CB-CB 4.39Å; A170-K204 HydrophobicContact CB-CD 4.3Å
171D95.5Very high94.6Very high43 Ų4327.1 Ų27.123%0.2316%0.155CC..Hα-helixtrans-67.8-39.1176.5-77.2-32.3000112.7A167 A168 M169 F174 S175 K204A167-D171 WeakPolarHBondContact O-CB 3.44Å; A167-D171 PolarHBondContact O-N 2.92Å; A168-D171 PolarHBondContact O-N 3.15Å; M169-D171 VanDerWaalsContact C-N 3.34Å; M169-D171 PolarHBondContact O-N 2.98Å; D171-F174 PolarHBondContact O-N 2.83Å; D171-S175 WeakPolarHBondContact O-CB 3.19Å; D171-S175 PolarHBondContact O-N 2.87Å; D171-S175 PolarHBondContact O-OG 2.95Å; D171-K204 WeakPolarHBondContact OD1-CE 3.44Å; D171-K204 IonicContact OD1-NZ 3.14Å; D171-K204 PolarHBondContact OD1-NZ 3.05Å; D171-K204 IonicContact OD2-NZ 3.51Å
172G97.2Very high94.4Very high1 Ų125.6 Ų25.61%0.0115%0.146CC..Hα-helixtrans-62-50.5172.800000112.2S127 A168 M169 F174 S175 V176S127-G172 WeakPolarHBondContact O-CA 3.44Å; A168-G172 PolarHBondContact O-N 3.01Å; M169-G172 PolarHBondContact O-N 2.87Å; G172-F174 VanDerWaalsContact C-N 3.34Å; G172-F174 PolarHBondContact O-N 2.93Å; G172-S175 VanDerWaalsContact O-CB 3.31Å; G172-S175 WeakPolarHBondContact O-CB 3.26Å; G172-S175 PolarHBondContact O-N 3.42Å; G172-V176 WeakPolarHBondContact O-CG2 3.03Å; G172-V176 PolarHBondContact O-N 3.09Å
173L98.1Very high94.4Very high1 Ų124.7 Ų24.71%0.00514%0.142CC..Hα-helixtrans-65.1-36.3176.8-72.9176.9000113.2F136 M169 S175 V176 C177 V197 L201 I236 F557F136-L173 HydrophobicContact CE2-CD2 4.19Å; F136-L173 HydrophobicContact CZ-CD2 3.98Å; M169-L173 PolarHBondContact O-N 3.24Å; L173-S175 VanDerWaalsContact C-N 3.34Å; L173-V176 PolarHBondContact O-N 2.89Å; L173-C177 PolarHBondContact O-N 3.44Å; L173-C177 PolarHBondContact O-SG 3.49Å; L173-V197 HydrophobicContact CD1-CG1 3.84Å; L173-L201 HydrophobicContact CB-CD1 4.16Å; L173-L201 HydrophobicContact CB-CD2 3.73Å; L173-L201 HydrophobicContact CD1-CD2 4Å; L173-I236 HydrophobicContact CD1-CD1 3.89Å; L173-I236 HydrophobicContact CD1-CG1 4.37Å; L173-F557 HydrophobicContact CD1-CD1 3.88Å; L173-F557 HydrophobicContact CD1-CE1 4.25Å; L173-F557 HydrophobicContact CD1-CG 4.14Å; L173-F557 HydrophobicContact CD2-CB 4.02Å; L173-F557 HydrophobicContact CD2-CD1 4.22Å; L173-F557 HydrophobicContact CD2-CD2 3.62Å; L173-F557 HydrophobicContact CD2-CE2 4.11Å; L173-F557 HydrophobicContact CD2-CG 3.68Å; L173-F557 HydrophobicContact CG-CD1 4.36Å; L173-F557 HydrophobicContact CG-CD2 4.42Å; L173-F557 HydrophobicContact CG-CG 4.31Å
174F96.7Very high94.4Very high15 Ų1521 Ų217%0.06612%0.122CC..Hα-helixtrans-62.1-44.5173.5-177.4-94.4000110.8Y125 A170 D171 G172 V176 C177 V178 L201 K204 I205 N208 L216 F217Y125-F174 AromaticContact CD1-CD1 3.96Å; Y125-F174 HydrophobicContact CD1-CD1 3.96Å; Y125-F174 AromaticContact CD1-CE1 3.72Å; Y125-F174 HydrophobicContact CD1-CE1 3.72Å; Y125-F174 HydrophobicContact CE1-CD1 4.19Å; Y125-F174 AromaticContact CE1-CE1 3.59Å; Y125-F174 HydrophobicContact CE1-CE1 3.59Å; A170-F174 WeakPolarHBondContact O-CB 3.29Å; A170-F174 PolarHBondContact O-N 3.21Å; D171-F174 PolarHBondContact O-N 2.83Å; G172-F174 VanDerWaalsContact C-N 3.34Å; G172-F174 PolarHBondContact O-N 2.93Å; F174-V176 VanDerWaalsContact C-N 3.32Å; F174-V176 PolarHBondContact O-N 3.01Å; F174-C177 WeakPolarHBondContact O-CB 3.37Å; F174-C177 PolarHBondContact O-N 3.3Å; F174-C177 VanDerWaalsContact O-N 3.15Å; F174-V178 HydrophobicContact CD1-CG2 3.92Å; F174-V178 HydrophobicContact CE1-CG2 3.48Å; F174-V178 VanDerWaalsContact CE1-CG2 3.48Å; F174-V178 HydrophobicContact CE2-CG2 4.49Å; F174-V178 HydrophobicContact CZ-CG2 3.82Å; F174-V178 WeakPolarHBondContact O-CG2 3.49Å; F174-V178 PolarHBondContact O-N 3.06Å; F174-L201 HydrophobicContact CB-CD1 3.83Å; F174-L201 HydrophobicContact CD2-CD1 4.39Å; F174-K204 HydrophobicContact CD2-CB 3.89Å; F174-K204 HydrophobicContact CE2-CB 4.26Å; F174-I205 HydrophobicContact CD2-CG1 3.89Å; F174-I205 HydrophobicContact CE2-CG1 4.13Å; F174-N208 HydrophobicContact CE2-CB 4.32Å; F174-N208 HydrophobicContact CZ-CB 4.14Å; F174-L216 HydrophobicContact CE1-CD1 4.06Å; F174-L216 HydrophobicContact CZ-CD1 4.06Å; F174-F217 HydrophobicContact CD2-CZ 4.46Å; F174-F217 HydrophobicContact CE2-CE2 4.04Å; F174-F217 AromaticContact CE2-CZ 3.82Å; F174-F217 HydrophobicContact CE2-CZ 3.82Å; F174-F217 HydrophobicContact CZ-CE2 4.26Å; F174-F217 HydrophobicContact CZ-CZ 4.14Å
175S96.1Very high94.4Very high2 Ų216 Ų161%0.01410%0.1CC..Hα-helixtrans-56.3-45.9174.7-64.70000111.5Y125 S127 D171 G172 L173 C177 V178 T179Y125-S175 VanDerWaalsContact O-CB 3.24Å; Y125-S175 WeakPolarHBondContact O-CB 3.16Å; S127-S175 WeakPolarHBondContact CB-OG 3.37Å; S127-S175 PolarHBondContact N-OG 2.81Å; D171-S175 WeakPolarHBondContact O-CB 3.19Å; D171-S175 PolarHBondContact O-N 2.87Å; D171-S175 PolarHBondContact O-OG 2.95Å; G172-S175 VanDerWaalsContact O-CB 3.31Å; G172-S175 WeakPolarHBondContact O-CB 3.26Å; G172-S175 PolarHBondContact O-N 3.42Å; L173-S175 VanDerWaalsContact C-N 3.34Å; S175-C177 PolarHBondContact O-N 3.08Å; S175-V178 PolarHBondContact O-N 2.99Å; S175-T179 PolarHBondContact O-N 3.4Å; S175-T179 PolarHBondContact O-OG1 2.82Å; S175-T179 VanDerWaalsContact O-OG1 3.06Å
176V96.4Very high94.4Very high6 Ų615.6 Ų15.64%0.03610%0.098CC..Hα-helixtrans-58.9-46175173.40000111.7F128 F136 G172 L173 F174 V178 T179 L180F128-V176 HydrophobicContact CB-CG2 4.19Å; F128-V176 HydrophobicContact CD1-CG2 3.52Å; F128-V176 HydrophobicContact CD2-CG2 4.03Å; F128-V176 HydrophobicContact CE1-CB 4.45Å; F128-V176 HydrophobicContact CE1-CG2 3.84Å; F128-V176 HydrophobicContact CE2-CG2 4.29Å; F128-V176 HydrophobicContact CG-CG2 3.63Å; F128-V176 HydrophobicContact CZ-CG2 4.21Å; F136-V176 HydrophobicContact CD1-CG2 4.44Å; F136-V176 HydrophobicContact CD2-CG2 3.9Å; F136-V176 HydrophobicContact CE1-CG1 4.14Å; F136-V176 HydrophobicContact CE1-CG2 4.3Å; F136-V176 HydrophobicContact CE2-CG2 3.75Å; F136-V176 HydrophobicContact CG-CG2 4.25Å; F136-V176 HydrophobicContact CZ-CG1 4.27Å; F136-V176 HydrophobicContact CZ-CG2 3.94Å; G172-V176 WeakPolarHBondContact O-CG2 3.03Å; G172-V176 PolarHBondContact O-N 3.09Å; L173-V176 PolarHBondContact O-N 2.89Å; F174-V176 VanDerWaalsContact C-N 3.32Å; F174-V176 PolarHBondContact O-N 3.01Å; V176-V178 VanDerWaalsContact C-N 3.33Å; V176-V178 PolarHBondContact O-N 2.78Å; V176-T179 PolarHBondContact O-N 3.32Å; V176-L180 HydrophobicContact CG1-CD1 3.82Å; V176-L180 HydrophobicContact CG1-CG 4.41Å; V176-L180 WeakPolarHBondContact O-CB 3.4Å; V176-L180 WeakPolarHBondContact O-CG 3.49Å; V176-L180 PolarHBondContact O-N 3.12Å
177C94.6Very high94.4Very high2 Ų216.3 Ų16.31%0.01410%0.1CC..Hα-helixtrans-61.8-40.8178.2-64.10000112L173 F174 S175 L180 G181 C182 F217L173-C177 PolarHBondContact O-N 3.44Å; L173-C177 PolarHBondContact O-SG 3.49Å; F174-C177 WeakPolarHBondContact O-CB 3.37Å; F174-C177 PolarHBondContact O-N 3.3Å; F174-C177 VanDerWaalsContact O-N 3.15Å; S175-C177 PolarHBondContact O-N 3.08Å; C177-L180 PolarHBondContact O-N 3.41Å; C177-G181 PolarHBondContact O-N 2.85Å; C177-C182 PolarHBondContact O-N 2.94Å; C177-C182 VanDerWaalsContact O-N 3.08Å; C177-F217 HydrophobicContact CB-CE1 3.98Å; C177-F217 HydrophobicContact CB-CZ 4.43Å
178V92.5Very high94.4Very high19 Ų1915.2 Ų15.212%0.1159%0.091CC..Hα-helixtrans-65.3-45.2176.5171.50000110.7Y125 F174 S175 V176 L180 G181 L216 F217Y125-V178 HydrophobicContact CD1-CG2 4.42Å; Y125-V178 HydrophobicContact CD2-CG1 4.32Å; Y125-V178 HydrophobicContact CG-CG1 4.1Å; F174-V178 HydrophobicContact CD1-CG2 3.92Å; F174-V178 HydrophobicContact CE1-CG2 3.48Å; F174-V178 VanDerWaalsContact CE1-CG2 3.48Å; F174-V178 HydrophobicContact CE2-CG2 4.49Å; F174-V178 HydrophobicContact CZ-CG2 3.82Å; F174-V178 WeakPolarHBondContact O-CG2 3.49Å; F174-V178 PolarHBondContact O-N 3.06Å; S175-V178 PolarHBondContact O-N 2.99Å; V176-V178 VanDerWaalsContact C-N 3.33Å; V176-V178 PolarHBondContact O-N 2.78Å; V178-L180 VanDerWaalsContact C-N 3.34Å; V178-L180 PolarHBondContact O-N 3.42Å; V178-G181 PolarHBondContact O-N 2.83Å; V178-L216 HydrophobicContact CG1-CB 4.31Å; V178-L216 HydrophobicContact CG1-CD1 4.45Å; V178-L216 HydrophobicContact CG2-CB 4.2Å; V178-L216 HydrophobicContact CG2-CD1 3.94Å; V178-F217 HydrophobicContact CG2-CE1 4.02Å; V178-F217 HydrophobicContact CG2-CZ 3.88Å
179T91.8Very high94.3Very high73 Ų7314 Ų1445%0.4488%0.079SC..Hα-helixtrans-61.2-41.7177.1-58.80000111.9F128 S175 V176 G181F128-T179 WeakPolarHBondContact CE1-OG1 3.41Å; F128-T179 HydrophobicContact CZ-CG2 4.1Å; F128-T179 WeakPolarHBondContact CZ-OG1 3.42Å; S175-T179 PolarHBondContact O-N 3.4Å; S175-T179 PolarHBondContact O-OG1 2.82Å; S175-T179 VanDerWaalsContact O-OG1 3.06Å; V176-T179 PolarHBondContact O-N 3.32Å; T179-G181 PolarHBondContact O-N 2.96Å
180L91Very high93.9Very high45 Ų4520.3 Ų20.324%0.23610%0.103CC..Hα-helixtrans-75.7-10.7176.4-66.3173.8000113.4V176 C177 V178 C182 I555 I580V176-L180 HydrophobicContact CG1-CD1 3.82Å; V176-L180 HydrophobicContact CG1-CG 4.41Å; V176-L180 WeakPolarHBondContact O-CB 3.4Å; V176-L180 WeakPolarHBondContact O-CG 3.49Å; V176-L180 PolarHBondContact O-N 3.12Å; C177-L180 PolarHBondContact O-N 3.41Å; V178-L180 VanDerWaalsContact C-N 3.34Å; V178-L180 PolarHBondContact O-N 3.42Å; L180-C182 HydrophobicContact CB-CB 4.4Å; L180-C182 PolarHBondContact O-N 3.26Å; L180-I555 HydrophobicContact CD1-CD1 3.57Å; L180-I555 HydrophobicContact CD1-CG1 4.22Å; L180-I580 HydrophobicContact CD1-CD1 3.74Å; L180-I580 HydrophobicContact CD2-CD1 3.9Å; L180-I580 HydrophobicContact CG-CD1 4.5Å
181G88.9Confident93.3Very high3 Ų323.4 Ų23.43%0.03114%0.135CC..THydrogen-bonded Turntrans6130.7-176.700000113.3C177 V178 T179C177-G181 PolarHBondContact O-N 2.85Å; V178-G181 PolarHBondContact O-N 2.83Å; T179-G181 PolarHBondContact O-N 2.96Å
182C88.8Confident92.7Very high7 Ų724.8 Ų24.85%0.04714%0.142CC..  trans-125152.8-171.577.70000112.8C177 L180 F217 P232C177-C182 PolarHBondContact O-N 2.94Å; C177-C182 VanDerWaalsContact O-N 3.08Å; L180-C182 HydrophobicContact CB-CB 4.4Å; L180-C182 PolarHBondContact O-N 3.26Å; C182-F217 WeakPolarHBondContact O-CD1 3.42Å; C182-F217 WeakPolarHBondContact O-CE1 3.18Å; C182-P232 HydrophobicContact CB-CG 3.87Å
183V92.2Very high92.5Very high10 Ų1025.2 Ų25.26%0.06115%0.146CC..  trans-115.899.9173.9176.90000107.9I205 L209 F217 R231 P534 K535V183-I205 HydrophobicContact CG1-CG2 3.92Å; V183-I205 HydrophobicContact CG2-CG2 4.47Å; V183-L209 HydrophobicContact CG1-CD1 4.09Å; V183-L209 HydrophobicContact CG2-CD1 4.35Å; V183-L209 HydrophobicContact CG2-CD2 4.12Å; V183-F217 HydrophobicContact CG2-CB 3.83Å; V183-F217 HydrophobicContact CG2-CD1 3.88Å; V183-F217 HydrophobicContact CG2-CD2 4.14Å; V183-F217 HydrophobicContact CG2-CE1 4.49Å; V183-F217 HydrophobicContact CG2-CG 3.67Å; V183-R231 PolarHBondContact O-NE 2.89Å; V183-R231 PolarHBondContact O-NH2 2.65Å; V183-P534 HydrophobicContact CG1-CB 4.01Å; V183-P534 HydrophobicContact CG1-CG 4.35Å; V183-K535 HydrophobicContact CG1-CD 4.47Å; V183-K535 HydrophobicContact CG1-CG 3.88Å
184P93.7Very high92.3Very high0 Ų025.2 Ų25.20%015%0.145CC..PPolyproline II helixtrans-74.2165.6-174.529.8-35.2000112.8I186 R231 P232 L234 P534P184-I186 HydrophobicContact CG-CG1 4.46Å; P184-R231 PolarHBondContact O-NH2 3.32Å; P184-P232 CarbonylContact C-O 3.58Å; P184-P232 WeakPolarHBondContact CA-O 3.22Å; P184-P232 HydrophobicContact CB-CG 4.29Å; P184-P232 WeakPolarHBondContact CB-O 3.38Å; P184-L234 HydrophobicContact CB-CB 3.62Å; P184-L234 HydrophobicContact CG-CB 3.88Å; P184-L234 HydrophobicContact CG-CD2 4.15Å; P184-P534 WeakPolarHBondContact O-CD 3.4Å
185I93.4Very high92.3Very high29 Ų2926.8 Ų26.815%0.14915%0.153CC..EExtended strand (participates in β ladder)trans-92.3126.8158-62.6179000106.7P232 L233 L234 F551I185-P232 PolarHBondContact N-O 2.88Å; I185-L233 CarbonylContact O-C 3.58Å; I185-L234 PolarHBondContact O-N 2.92Å; I185-F551 HydrophobicContact CD1-CE1 4.01Å; I185-F551 HydrophobicContact CD1-CZ 4.06Å
186I95.6Very high92.2Very high0 Ų030.2 Ų30.20%017%0.171CC..EExtended strand (participates in β ladder)trans-100.1129.8-171.4-46.1174.4000109.6P184 A198 L201 N202 I205 L234 I236 C531 F532 P534P184-I186 HydrophobicContact CG-CG1 4.46Å; I186-A198 HydrophobicContact CG2-CB 3.88Å; I186-L201 HydrophobicContact CD1-CD2 4.08Å; I186-L201 HydrophobicContact CD1-CG 4.11Å; I186-N202 HydrophobicContact CD1-CB 4.14Å; I186-I205 HydrophobicContact CD1-CD1 4.44Å; I186-L234 CarbonylContact C-O 3.55Å; I186-L234 WeakPolarHBondContact CA-O 3.38Å; I186-L234 HydrophobicContact CG1-CB 4.41Å; I186-L234 HydrophobicContact CG1-CD2 4.19Å; I186-L234 HydrophobicContact CG2-CD2 4.27Å; I186-L234 HydrophobicContact CG2-CG 4.33Å; I186-I236 HydrophobicContact CG2-CD1 3.84Å; I186-I236 HydrophobicContact CG2-CG1 4.33Å; I186-C531 WeakPolarHBondContact O-CA 3.5Å; I186-F532 HydrophobicContact CB-CB 4.14Å; I186-F532 PolarHBondContact N-O 3.03Å; I186-F532 PolarHBondContact O-N 3.31Å; I186-P534 HydrophobicContact CD1-CG 4.25Å
187R95.2Very high92.3Very high17 Ų1729.9 Ų29.96%0.06417%0.169CC..EExtended strand (participates in β ladder)trans-124134.1173.8-61-62.7-63.4-80.1-0.8110.4L233 L234 I235 I236 L517 Y529 L530R187-L233 HydrophobicContact CB-CD1 4.41Å; R187-L233 HydrophobicContact CG-CD1 3.56Å; R187-L234 PolarHBondContact N-O 3.08Å; R187-I235 WeakPolarHBondContact O-CA 3.34Å; R187-I236 PolarHBondContact O-N 2.92Å; R187-L517 HydrophobicContact CB-CD1 4.14Å; R187-Y529 HydrophobicContact CB-CD1 4.43Å; R187-Y529 PolarHBondContact NH2-O 2.87Å; R187-L530 VanDerWaalsContact CA-O 3.3Å; R187-L530 WeakPolarHBondContact CA-O 3.5Å; R187-L530 VanDerWaalsContact CD-O 3.25Å; R187-L530 WeakPolarHBondContact CD-O 3.5Å; R187-L530 PolarHBondContact NE-O 3.49Å
188C94.9Very high92.4Very high0 Ų029.8 Ų29.80%017%0.168CC..EExtended strand (participates in β ladder)trans-151.1157.9178.669.20000111.6A194 A198 I236 Y529 L530C188-A194 HydrophobicContact CB-CB 4.13Å; C188-A198 HydrophobicContact CB-CB 4.1Å; C188-A198 VanDerWaalsContact SG-CB 3.58Å; C188-I236 WeakPolarHBondContact CA-O 3.48Å; C188-I236 HydrophobicContact CB-CB 4.15Å; C188-Y529 VanDerWaalsContact C-CD1 3.5Å; C188-Y529 CarbonylContact O-C 3.58Å; C188-Y529 VanDerWaalsContact O-CA 3.26Å; C188-Y529 WeakPolarHBondContact O-CA 3.45Å; C188-Y529 WeakPolarHBondContact O-CB 3.25Å; C188-L530 PolarHBondContact N-O 2.91Å; C188-L530 PolarHBondContact O-N 3.34Å
189P92.3Very high92.6Very high20 Ų2034.2 Ų34.213%0.1319%0.188CC..  trans-67.5166.9169.231-35000111.3A194 I236 Y529P189-A194 HydrophobicContact CG-CB 3.97Å; P189-I236 WeakPolarHBondContact CD-O 3.4Å; P189-Y529 HydrophobicContact CB-CD2 4.5Å; P189-Y529 HydrophobicContact CB-CE2 4.06Å
190R89.5Confident92.8Very high134 Ų13434.5 Ų34.551%0.50618%0.183SC..SBendtrans-95.7148.7178.1-64.4-17672.3171.51.5111.6E195 L530R190-E195 WeakPolarHBondContact CA-OE2 3.26Å; R190-L530 HydrophobicContact CG-CD1 4.01Å; R190-L530 HydrophobicContact CG-CD2 3.73Å; R190-L530 HydrophobicContact CG-CG 3.6Å
191G84.1Confident93.1Very high65 Ų6532.3 Ų32.367%0.6717%0.171SC*.SBendtrans84.85.4166.100000116E195G191-E195 PolarHBondContact N-OE2 2.8Å
192N83.8Confident93.4Very high72 Ų7232.4 Ų32.439%0.38517%0.171SC..SBendtrans-126.7-178.7-174.4-63.4-26.5000112.1A194 E195 D238N192-A194 PolarHBondContact O-N 3.16Å; N192-E195 WeakPolarHBondContact O-CB 3.3Å; N192-E195 PolarHBondContact O-N 3.16Å; N192-D238 WeakPolarHBondContact CB-OD2 3.04Å
193A92.5Very high93.7Very high10 Ų1033.1 Ų33.18%0.08318%0.18CC..Hα-helixtrans-58.1-32.6178.200000112.6I152 M162 E195 L196 V197 D238 I559I152-A193 HydrophobicContact CG2-CB 4.07Å; M162-A193 HydrophobicContact CE-CB 3.76Å; A193-E195 VanDerWaalsContact C-N 3.27Å; A193-E195 PolarHBondContact O-N 3.02Å; A193-L196 PolarHBondContact O-N 3.04Å; A193-V197 WeakPolarHBondContact O-CG2 3.25Å; A193-V197 PolarHBondContact O-N 2.9Å; A193-D238 WeakPolarHBondContact CB-OD1 3.45Å; A193-D238 PolarHBondContact N-OD1 3.22Å; A193-I559 HydrophobicContact CB-CD1 4.45Å; A193-I559 HydrophobicContact CB-CG2 4.27Å
194A95.3Very high93.8Very high0 Ų035.8 Ų35.80%019%0.191CC..Hα-helixtrans-56.2-36.6174.200000114C188 P189 N192 A198 I236 D238 I559C188-A194 HydrophobicContact CB-CB 4.13Å; P189-A194 HydrophobicContact CG-CB 3.97Å; N192-A194 PolarHBondContact O-N 3.16Å; A194-A198 WeakPolarHBondContact O-CB 3.39Å; A194-A198 PolarHBondContact O-N 3.3Å; A194-I236 HydrophobicContact CB-CB 4.37Å; A194-I236 HydrophobicContact CB-CG2 3.68Å; A194-D238 WeakPolarHBondContact CB-OD2 3.41Å; A194-D238 PolarHBondContact N-OD1 3.42Å; A194-D238 PolarHBondContact N-OD2 3.36Å; A194-I559 HydrophobicContact CB-CD1 4.06Å
195E95.2Very high93.7Very high48 Ų4835.8 Ų35.822%0.22419%0.191CC..Hα-helixtrans-66.7-46.9176.7178.3169.2-17500111R190 G191 N192 A193 V197 A198 E199 L530R190-E195 WeakPolarHBondContact CA-OE2 3.26Å; G191-E195 PolarHBondContact N-OE2 2.8Å; N192-E195 WeakPolarHBondContact O-CB 3.3Å; N192-E195 PolarHBondContact O-N 3.16Å; A193-E195 VanDerWaalsContact C-N 3.27Å; A193-E195 PolarHBondContact O-N 3.02Å; E195-V197 VanDerWaalsContact C-N 3.35Å; E195-V197 PolarHBondContact O-N 3.04Å; E195-A198 PolarHBondContact O-N 3.17Å; E195-E199 WeakPolarHBondContact O-CB 3.45Å; E195-E199 PolarHBondContact O-N 2.95Å; E195-L530 HydrophobicContact CB-CD1 4.36Å; E195-L530 VanDerWaalsContact CD-CD1 3.5Å; E195-L530 HydrophobicContact CG-CD1 3.64Å; E195-L530 WeakPolarHBondContact OE1-CD1 3.39Å
196L95.7Very high93.6Very high74 Ų7434.8 Ų34.839%0.38719%0.185SC..Hα-helixtrans-61.7-42.9179.3-60.7175.4000111.7M162 V166 A193 K200M162-L196 HydrophobicContact CE-CD1 3.91Å; V166-L196 HydrophobicContact CG1-CB 4.02Å; V166-L196 HydrophobicContact CG2-CB 3.93Å; V166-L196 HydrophobicContact CG2-CD1 4.27Å; A193-L196 PolarHBondContact O-N 3.04Å; L196-K200 WeakPolarHBondContact O-CB 3.32Å; L196-K200 PolarHBondContact O-N 3.39Å; L196-K200 VanDerWaalsContact O-N 3.09Å
197V97.7Very high93.3Very high0 Ų039.7 Ų39.70%021%0.211CC..Hα-helixtrans-66.4-44.4176.5176.50000111V166 M169 L173 A193 E195 K200 L201 I236 I559V166-V197 HydrophobicContact CG1-CG2 4.11Å; V166-V197 HydrophobicContact CG2-CG2 4.38Å; M169-V197 HydrophobicContact CB-CG1 4.06Å; M169-V197 HydrophobicContact CB-CG2 3.89Å; M169-V197 HydrophobicContact CE-CG2 3.54Å; M169-V197 HydrophobicContact SD-CG2 4.06Å; L173-V197 HydrophobicContact CD1-CG1 3.84Å; A193-V197 WeakPolarHBondContact O-CG2 3.25Å; A193-V197 PolarHBondContact O-N 2.9Å; E195-V197 VanDerWaalsContact C-N 3.35Å; E195-V197 PolarHBondContact O-N 3.04Å; V197-K200 PolarHBondContact O-N 2.93Å; V197-L201 WeakPolarHBondContact O-CB 3.09Å; V197-L201 PolarHBondContact O-N 3.02Å; V197-I236 HydrophobicContact CG1-CD1 4.28Å; V197-I559 HydrophobicContact CB-CD1 4.19Å; V197-I559 HydrophobicContact CG2-CD1 3.86Å
198A97.2Very high93Very high0 Ų039.9 Ų39.90%021%0.214CC..Hα-helixtrans-61.8-44.3179.200000112.1I186 C188 A194 E195 N202 I236 F532I186-A198 HydrophobicContact CG2-CB 3.88Å; C188-A198 HydrophobicContact CB-CB 4.1Å; C188-A198 VanDerWaalsContact SG-CB 3.58Å; A194-A198 WeakPolarHBondContact O-CB 3.39Å; A194-A198 PolarHBondContact O-N 3.3Å; E195-A198 PolarHBondContact O-N 3.17Å; A198-N202 VanDerWaalsContact O-CB 3.24Å; A198-N202 WeakPolarHBondContact O-CB 3.16Å; A198-N202 PolarHBondContact O-N 3.43Å; A198-I236 HydrophobicContact CB-CD1 4.01Å; A198-F532 HydrophobicContact CB-CD2 4Å; A198-F532 HydrophobicContact CB-CE2 3.75Å; A198-F532 HydrophobicContact CB-CZ 4.44Å
199E96.2Very high92.6Very high111 Ų11142.5 Ų42.552%0.51923%0.227SC..Hα-helixtrans-63.1-47.8178.1-175.3172.8-159.400111.1E195 L201 N202 G203 F532E195-E199 WeakPolarHBondContact O-CB 3.45Å; E195-E199 PolarHBondContact O-N 2.95Å; E199-L201 PolarHBondContact O-N 3.09Å; E199-N202 PolarHBondContact O-N 3.45Å; E199-G203 PolarHBondContact O-N 3.17Å; E199-F532 HydrophobicContact CB-CE1 4.13Å; E199-F532 HydrophobicContact CB-CZ 4.23Å; E199-F532 HydrophobicContact CG-CE1 4.4Å
200K96.4Very high92.3Very high79 Ų7949.2 Ų49.234%0.34325%0.25SS..Hα-helixtrans-66.7-39.2-179.4-157161-162.4177.30112.5D163 V166 A170 L196 V197 G203 K204D163-K200 PolarHBondContact O-NZ 3.42Å; V166-K200 HydrophobicContact CG1-CB 4.26Å; V166-K200 HydrophobicContact CG1-CD 3.9Å; A170-K200 HydrophobicContact CB-CB 4.14Å; A170-K200 HydrophobicContact CB-CG 4.32Å; L196-K200 WeakPolarHBondContact O-CB 3.32Å; L196-K200 PolarHBondContact O-N 3.39Å; L196-K200 VanDerWaalsContact O-N 3.09Å; V197-K200 PolarHBondContact O-N 2.93Å; K200-G203 PolarHBondContact O-N 3.36Å; K200-K204 WeakPolarHBondContact O-CG 3.47Å; K200-K204 PolarHBondContact O-N 3.47Å
201L97.3Very high91.9Very high0 Ų045.8 Ų45.80%024%0.242CC..Hα-helixtrans-64.4-45.1173.3177.361.2000111.6A170 L173 F174 I186 V197 E199 G203 K204 I205 L234 I236A170-L201 HydrophobicContact CB-CB 4.39Å; L173-L201 HydrophobicContact CB-CD1 4.16Å; L173-L201 HydrophobicContact CB-CD2 3.73Å; L173-L201 HydrophobicContact CD1-CD2 4Å; F174-L201 HydrophobicContact CB-CD1 3.83Å; F174-L201 HydrophobicContact CD2-CD1 4.39Å; I186-L201 HydrophobicContact CD1-CD2 4.08Å; I186-L201 HydrophobicContact CD1-CG 4.11Å; V197-L201 WeakPolarHBondContact O-CB 3.09Å; V197-L201 PolarHBondContact O-N 3.02Å; E199-L201 PolarHBondContact O-N 3.09Å; L201-G203 VanDerWaalsContact C-N 3.3Å; L201-G203 PolarHBondContact O-N 3.23Å; L201-K204 PolarHBondContact O-N 3.23Å; L201-I205 HydrophobicContact CD1-CD1 3.88Å; L201-I205 HydrophobicContact CD1-CG1 4.09Å; L201-I205 HydrophobicContact CG-CD1 3.89Å; L201-I205 HydrophobicContact CG-CG1 4.47Å; L201-I205 WeakPolarHBondContact O-CG1 3.4Å; L201-I205 PolarHBondContact O-N 3.42Å; L201-L234 HydrophobicContact CD2-CD2 3.36Å; L201-I236 HydrophobicContact CD2-CD1 4.42Å
202N95.5Very high91.1Very high4 Ų447.4 Ų47.42%0.02125%0.249CC..Hα-helixtrans-56.9-44.7175.7170.570.6000111.1I186 A198 E199 I205 R206 F532 P534I186-N202 HydrophobicContact CD1-CB 4.14Å; A198-N202 VanDerWaalsContact O-CB 3.24Å; A198-N202 WeakPolarHBondContact O-CB 3.16Å; A198-N202 PolarHBondContact O-N 3.43Å; E199-N202 PolarHBondContact O-N 3.45Å; N202-I205 PolarHBondContact O-N 2.92Å; N202-R206 WeakPolarHBondContact ND2-CD 3.32Å; N202-R206 PolarHBondContact ND2-NE 2.99Å; N202-R206 WeakPolarHBondContact O-CB 3.34Å; N202-R206 WeakPolarHBondContact O-CD 3.47Å; N202-R206 VanDerWaalsContact O-CG 3.24Å; N202-R206 WeakPolarHBondContact O-CG 3.32Å; N202-R206 PolarHBondContact O-N 2.79Å; N202-R206 PolarHBondContact OD1-NE 2.98Å; N202-F532 HydrophobicContact CB-CB 4.01Å; N202-F532 HydrophobicContact CB-CD1 4.09Å; N202-F532 HydrophobicContact CB-CG 4.28Å; N202-P534 WeakPolarHBondContact OD1-CA 3.45Å
203G94.5Very high90.4Very high23 Ų2354.6 Ų54.624%0.23727%0.271CS..Hα-helixtrans-57.4-51.917400000112.6E199 K200 L201 I205 R206 D207E199-G203 PolarHBondContact O-N 3.17Å; K200-G203 PolarHBondContact O-N 3.36Å; L201-G203 VanDerWaalsContact C-N 3.3Å; L201-G203 PolarHBondContact O-N 3.23Å; G203-I205 VanDerWaalsContact C-N 3.35Å; G203-I205 PolarHBondContact O-N 3.06Å; G203-R206 WeakPolarHBondContact O-CB 3.42Å; G203-R206 PolarHBondContact O-N 3.28Å; G203-R206 VanDerWaalsContact O-N 3.15Å; G203-D207 PolarHBondContact O-N 3.28Å
204K93.2Very high89.1Confident65 Ų6559.4 Ų59.428%0.28330%0.295SS..Hα-helixtrans-57.1-44.1178.3-76.5176.9176.8-81.90113A170 D171 F174 K200 L201 N208A170-K204 HydrophobicContact CB-CD 4.3Å; D171-K204 WeakPolarHBondContact OD1-CE 3.44Å; D171-K204 IonicContact OD1-NZ 3.14Å; D171-K204 PolarHBondContact OD1-NZ 3.05Å; D171-K204 IonicContact OD2-NZ 3.51Å; F174-K204 HydrophobicContact CD2-CB 3.89Å; F174-K204 HydrophobicContact CE2-CB 4.26Å; K200-K204 WeakPolarHBondContact O-CG 3.47Å; K200-K204 PolarHBondContact O-N 3.47Å; L201-K204 PolarHBondContact O-N 3.23Å; K204-N208 PolarHBondContact O-N 3.16Å; K204-N208 VanDerWaalsContact O-N 3.16Å
205I93.1Very high88Confident0 Ų061 Ų610%031%0.306CS..Hα-helixtrans-65.8-43.7178-63.8170.8000110.6F174 V183 I186 L201 N202 G203 N208 L209 F217 P534F174-I205 HydrophobicContact CD2-CG1 3.89Å; F174-I205 HydrophobicContact CE2-CG1 4.13Å; V183-I205 HydrophobicContact CG1-CG2 3.92Å; V183-I205 HydrophobicContact CG2-CG2 4.47Å; I186-I205 HydrophobicContact CD1-CD1 4.44Å; L201-I205 HydrophobicContact CD1-CD1 3.88Å; L201-I205 HydrophobicContact CD1-CG1 4.09Å; L201-I205 HydrophobicContact CG-CD1 3.89Å; L201-I205 HydrophobicContact CG-CG1 4.47Å; L201-I205 WeakPolarHBondContact O-CG1 3.4Å; L201-I205 PolarHBondContact O-N 3.42Å; N202-I205 PolarHBondContact O-N 2.92Å; G203-I205 VanDerWaalsContact C-N 3.35Å; G203-I205 PolarHBondContact O-N 3.06Å; I205-N208 PolarHBondContact O-N 3.38Å; I205-L209 HydrophobicContact CG2-CD1 3.91Å; I205-L209 HydrophobicContact CG2-CG 4.31Å; I205-L209 VanDerWaalsContact O-CG 3.3Å; I205-L209 WeakPolarHBondContact O-CG 3.49Å; I205-L209 PolarHBondContact O-N 3.43Å; I205-F217 HydrophobicContact CG1-CZ 4.47Å; I205-F217 HydrophobicContact CG2-CE2 4.22Å; I205-F217 HydrophobicContact CG2-CZ 4.45Å; I205-P534 HydrophobicContact CB-CB 3.92Å; I205-P534 HydrophobicContact CB-CG 4.16Å; I205-P534 HydrophobicContact CD1-CG 4.17Å; I205-P534 HydrophobicContact CG2-CB 3.43Å; I205-P534 VanDerWaalsContact CG2-CB 3.43Å; I205-P534 HydrophobicContact CG2-CG 3.93Å
206R91.1Very high87.2Confident9 Ų960.9 Ų60.93%0.03431%0.307CS..Hα-helixtrans-61.1-45178.4-79168.2170.7-94-6.7112.5N202 G203 N208 L209 R210 D533 P534 L536 K538 D539N202-R206 WeakPolarHBondContact ND2-CD 3.32Å; N202-R206 PolarHBondContact ND2-NE 2.99Å; N202-R206 WeakPolarHBondContact O-CB 3.34Å; N202-R206 WeakPolarHBondContact O-CD 3.47Å; N202-R206 VanDerWaalsContact O-CG 3.24Å; N202-R206 WeakPolarHBondContact O-CG 3.32Å; N202-R206 PolarHBondContact O-N 2.79Å; N202-R206 PolarHBondContact OD1-NE 2.98Å; G203-R206 WeakPolarHBondContact O-CB 3.42Å; G203-R206 PolarHBondContact O-N 3.28Å; G203-R206 VanDerWaalsContact O-N 3.15Å; R206-N208 VanDerWaalsContact C-N 3.32Å; R206-N208 PolarHBondContact O-N 3.3Å; R206-L209 PolarHBondContact O-N 3.31Å; R206-R210 WeakPolarHBondContact O-CG 3.04Å; R206-R210 PolarHBondContact O-N 3.02Å; R206-D533 PolarHBondContact NH2-O 3.43Å; R206-P534 HydrophobicContact CG-CB 4.15Å; R206-P534 WeakPolarHBondContact CG-O 3.49Å; R206-L536 PolarHBondContact NH1-O 2.89Å; R206-L536 PolarHBondContact NH2-O 3.46Å; R206-K538 PolarHBondContact NH1-O 3.42Å; R206-K538 PolarHBondContact NH2-O 2.98Å; R206-D539 VanDerWaalsContact CD-OD1 3.29Å; R206-D539 WeakPolarHBondContact CD-OD1 3.49Å; R206-D539 IonicContact CZ-OD1 3.06Å; R206-D539 IonicContact NE-OD1 3.36Å; R206-D539 PolarHBondContact NE-OD1 3.44Å; R206-D539 IonicContact NH1-OD1 2.92Å
207D89.7Confident86.4Confident102 Ų10258.1 Ų58.155%0.54529%0.292SS..Hα-helixtrans-62.9-41.8179.5-70.1-20.4000110.9G203 R210 D211G203-D207 PolarHBondContact O-N 3.28Å; D207-R210 PolarHBondContact O-N 3.23Å; D207-D211 PolarHBondContact O-N 2.98Å
208N88.7Confident84.8Confident22 Ų2262.4 Ų62.412%0.11832%0.322CS..Hα-helixtrans-65.6-39.2174.7-172.3-98.9000112.9F174 K204 I205 R206 R210 D211 N214 L216 F217F174-N208 HydrophobicContact CE2-CB 4.32Å; F174-N208 HydrophobicContact CZ-CB 4.14Å; K204-N208 PolarHBondContact O-N 3.16Å; K204-N208 VanDerWaalsContact O-N 3.16Å; I205-N208 PolarHBondContact O-N 3.38Å; R206-N208 VanDerWaalsContact C-N 3.32Å; R206-N208 PolarHBondContact O-N 3.3Å; N208-R210 VanDerWaalsContact C-N 3.27Å; N208-R210 PolarHBondContact O-N 2.85Å; N208-D211 PolarHBondContact O-N 3.33Å; N208-N214 PolarHBondContact ND2-O 2.96Å; N208-N214 VanDerWaalsContact ND2-O 3.13Å; N208-L216 WeakPolarHBondContact ND2-CD1 3.49Å; N208-L216 PolarHBondContact OD1-N 3.08Å; N208-L216 VanDerWaalsContact OD1-N 3.14Å; N208-F217 HydrophobicContact CB-CE2 4.07Å; N208-F217 VanDerWaalsContact OD1-CD2 3.25Å; N208-F217 WeakPolarHBondContact OD1-CD2 3.38Å; N208-F217 WeakPolarHBondContact OD1-CE2 3.15Å
209L86.7Confident82.9Confident55 Ų5564.1 Ų64.129%0.28834%0.339SS..Hα-helixtrans-67.1-27.8177.4-73.6173.4000113.3V183 I205 R206 F217 P534 K535V183-L209 HydrophobicContact CG1-CD1 4.09Å; V183-L209 HydrophobicContact CG2-CD1 4.35Å; V183-L209 HydrophobicContact CG2-CD2 4.12Å; I205-L209 HydrophobicContact CG2-CD1 3.91Å; I205-L209 HydrophobicContact CG2-CG 4.31Å; I205-L209 VanDerWaalsContact O-CG 3.3Å; I205-L209 WeakPolarHBondContact O-CG 3.49Å; I205-L209 PolarHBondContact O-N 3.43Å; R206-L209 PolarHBondContact O-N 3.31Å; L209-F217 HydrophobicContact CD2-CB 4.33Å; L209-F217 HydrophobicContact CD2-CD2 4.07Å; L209-F217 HydrophobicContact CG-CD2 4.42Å; L209-P534 HydrophobicContact CD1-CB 4.32Å; L209-K535 HydrophobicContact CD1-CG 4.26Å
210R85Confident80.7Confident161 Ų16166.2 Ų66.261%0.60835%0.349SS*.Hα-helixtrans-77.9-24.3175.8-73.3172.8175.8176.50.4112.3R206 D207 N208 A212R206-R210 WeakPolarHBondContact O-CG 3.04Å; R206-R210 PolarHBondContact O-N 3.02Å; D207-R210 PolarHBondContact O-N 3.23Å; N208-R210 VanDerWaalsContact C-N 3.27Å; N208-R210 PolarHBondContact O-N 2.85Å; R210-A212 PolarHBondContact O-N 2.89Å
211D81.4Confident78.4Confident61 Ų6166.1 Ų66.133%0.32636%0.355SS..  trans-7889.2177.6-166.8-7.1000111.4D207 N208 R213 N214 S215D207-D211 PolarHBondContact O-N 2.98Å; N208-D211 PolarHBondContact O-N 3.33Å; D211-R213 PolarHBondContact O-N 2.78Å; D211-R213 PolarHBondContact OD1-N 2.81Å; D211-R213 VanDerWaalsContact OD1-N 3.14Å; D211-N214 CarbonylContact O-C 3.48Å; D211-N214 PolarHBondContact O-N 2.77Å; D211-N214 VanDerWaalsContact O-N 3.08Å; D211-S215 PolarHBondContact O-N 2.75Å
212A67.2Low76.1Confident100 Ų10066.8 Ų66.883%0.82636%0.361SS*.THydrogen-bonded Turntrans-58.5-16.2179.500000114.3R210R210-A212 PolarHBondContact O-N 2.89Å
213R68.7Low73.8Confident223 Ų22374 Ų7484%0.84239%0.387SS*.THydrogen-bonded Turntrans-89.9-18.6179.6-64.9-173.9-65.5175.9-0.7113.3D211D211-R213 PolarHBondContact O-N 2.78Å; D211-R213 PolarHBondContact OD1-N 2.81Å; D211-R213 VanDerWaalsContact OD1-N 3.14Å
214N66.4Low71.5Confident110 Ų11080.6 Ų80.659%0.58841%0.412SS*.  trans-145.145.9-169.6-110.63.2000112.5N208 D211 L216N208-N214 PolarHBondContact ND2-O 2.96Å; N208-N214 VanDerWaalsContact ND2-O 3.13Å; D211-N214 CarbonylContact O-C 3.48Å; D211-N214 PolarHBondContact O-N 2.77Å; D211-N214 VanDerWaalsContact O-N 3.08Å; N214-L216 PolarHBondContact O-N 3.38Å
215S71.7Confident69.3Low34 Ų3479.6 Ų79.624%0.23841%0.413CS..  trans-70.199.2174.8-178.40000110.5D211 F217 S218D211-S215 PolarHBondContact O-N 2.75Å; S215-F217 PolarHBondContact O-N 2.82Å; S215-S218 PolarHBondContact O-N 3.32Å; S215-S218 WeakPolarHBondContact OG-CB 3.31Å; S215-S218 PolarHBondContact OG-OG 2.64Å
216L77.9Confident66.9Low46 Ų4685.4 Ų85.424%0.24144%0.444CS..THydrogen-bonded Turntrans-64.6-20.3177.4-63.7172.6000111.5Y125 F174 V178 N208 N214Y125-L216 HydrophobicContact CD1-CD1 4.44Å; Y125-L216 HydrophobicContact CD2-CD1 4.47Å; Y125-L216 HydrophobicContact CE1-CD1 3.83Å; Y125-L216 HydrophobicContact CE2-CD1 3.9Å; Y125-L216 HydrophobicContact CE2-CD2 4.19Å; F174-L216 HydrophobicContact CE1-CD1 4.06Å; F174-L216 HydrophobicContact CZ-CD1 4.06Å; V178-L216 HydrophobicContact CG1-CB 4.31Å; V178-L216 HydrophobicContact CG1-CD1 4.45Å; V178-L216 HydrophobicContact CG2-CB 4.2Å; V178-L216 HydrophobicContact CG2-CD1 3.94Å; N208-L216 WeakPolarHBondContact ND2-CD1 3.49Å; N208-L216 PolarHBondContact OD1-N 3.08Å; N208-L216 VanDerWaalsContact OD1-N 3.14Å; N214-L216 PolarHBondContact O-N 3.38Å
217F78.1Confident64.7Low16 Ų1694 Ų947%0.0748%0.482CS..THydrogen-bonded Turntrans-96.211.4-177.8-54.8-73000114F174 C177 V178 C182 V183 I205 N208 L209 S215 A222F174-F217 HydrophobicContact CD2-CZ 4.46Å; F174-F217 HydrophobicContact CE2-CE2 4.04Å; F174-F217 AromaticContact CE2-CZ 3.82Å; F174-F217 HydrophobicContact CE2-CZ 3.82Å; F174-F217 HydrophobicContact CZ-CE2 4.26Å; F174-F217 HydrophobicContact CZ-CZ 4.14Å; C177-F217 HydrophobicContact CB-CE1 3.98Å; C177-F217 HydrophobicContact CB-CZ 4.43Å; V178-F217 HydrophobicContact CG2-CE1 4.02Å; V178-F217 HydrophobicContact CG2-CZ 3.88Å; C182-F217 WeakPolarHBondContact O-CD1 3.42Å; C182-F217 WeakPolarHBondContact O-CE1 3.18Å; V183-F217 HydrophobicContact CG2-CB 3.83Å; V183-F217 HydrophobicContact CG2-CD1 3.88Å; V183-F217 HydrophobicContact CG2-CD2 4.14Å; V183-F217 HydrophobicContact CG2-CE1 4.49Å; V183-F217 HydrophobicContact CG2-CG 3.67Å; I205-F217 HydrophobicContact CG1-CZ 4.47Å; I205-F217 HydrophobicContact CG2-CE2 4.22Å; I205-F217 HydrophobicContact CG2-CZ 4.45Å; N208-F217 HydrophobicContact CB-CE2 4.07Å; N208-F217 VanDerWaalsContact OD1-CD2 3.25Å; N208-F217 WeakPolarHBondContact OD1-CD2 3.38Å; N208-F217 WeakPolarHBondContact OD1-CE2 3.15Å; L209-F217 HydrophobicContact CD2-CB 4.33Å; L209-F217 HydrophobicContact CD2-CD2 4.07Å; L209-F217 HydrophobicContact CG-CD2 4.42Å; S215-F217 PolarHBondContact O-N 2.82Å; F217-A222 VanDerWaalsContact O-CB 3.23Å; F217-A222 WeakPolarHBondContact O-CB 3.37Å
218S65.4Low62.9Low90 Ų9091 Ų9163%0.62948%0.475SS*.SBendtrans-120.10.1-179.9-580000114.4S215S215-S218 PolarHBondContact O-N 3.32Å; S215-S218 WeakPolarHBondContact OG-CB 3.31Å; S215-S218 PolarHBondContact OG-OG 2.64Å
219G57Low61.4Low35 Ų35100.3 Ų100.336%0.36152%0.515SS..SBendtrans-75.2-178.4-179.400000114.9T221 A222 R223G219-T221 PolarHBondContact O-N 3.31Å; G219-A222 WeakPolarHBondContact O-CA 3.43Å; G219-A222 VanDerWaalsContact O-CB 3.28Å; G219-A222 WeakPolarHBondContact O-CB 3.48Å; G219-A222 PolarHBondContact O-N 3.01Å; G219-R223 PolarHBondContact O-N 3.17Å
220E49.8Very low60.9Low155 Ų155100.7 Ų100.772%0.72452%0.515SS*.THydrogen-bonded Turntrans-58.2-28.9179.4-77.5-177.1146.200114A222 R223E220-A222 VanDerWaalsContact C-N 3.34Å; E220-R223 VanDerWaalsContact O-CB 3.28Å; E220-R223 WeakPolarHBondContact O-CB 3.27Å; E220-R223 PolarHBondContact O-N 3.12Å
221T48.5Very low61Low78 Ų7895.4 Ų95.448%0.47950%0.495SS..THydrogen-bonded Turntrans-64.3-36.5171.238.70000112.3G219 R223 Q224G219-T221 PolarHBondContact O-N 3.31Å; T221-R223 PolarHBondContact O-N 2.81Å; T221-Q224 PolarHBondContact O-N 3.16Å
222A49.5Very low61.6Low14 Ų1492.6 Ų92.612%0.11648%0.48CS..Hα-helixtrans-67.1-19.5172.600000112.5F217 G219 E220 Q224 S225 L226F217-A222 VanDerWaalsContact O-CB 3.23Å; F217-A222 WeakPolarHBondContact O-CB 3.37Å; G219-A222 WeakPolarHBondContact O-CA 3.43Å; G219-A222 VanDerWaalsContact O-CB 3.28Å; G219-A222 WeakPolarHBondContact O-CB 3.48Å; G219-A222 PolarHBondContact O-N 3.01Å; E220-A222 VanDerWaalsContact C-N 3.34Å; A222-Q224 VanDerWaalsContact C-N 3.28Å; A222-Q224 PolarHBondContact O-N 3.06Å; A222-S225 WeakPolarHBondContact O-CB 3.07Å; A222-S225 PolarHBondContact O-N 3.2Å; A222-S225 VanDerWaalsContact O-N 3.16Å; A222-L226 PolarHBondContact O-N 3.24Å
223R45.5Very low62.9Low154 Ų15487.9 Ų87.958%0.58144%0.441SS*.Hα-helixtrans-68.7-23.7175.5-65.2-171.4160.7158-4.7113.5G219 E220 T221 S225 L226G219-R223 PolarHBondContact O-N 3.17Å; E220-R223 VanDerWaalsContact O-CB 3.28Å; E220-R223 WeakPolarHBondContact O-CB 3.27Å; E220-R223 PolarHBondContact O-N 3.12Å; T221-R223 PolarHBondContact O-N 2.81Å; R223-S225 VanDerWaalsContact C-N 3.33Å; R223-L226 HydrophobicContact CB-CD1 3.89Å; R223-L226 HydrophobicContact CG-CD1 3.7Å; R223-L226 WeakPolarHBondContact O-CB 3.37Å; R223-L226 PolarHBondContact O-N 2.8Å
224Q46.5Very low64.3Low163 Ų16377.3 Ų77.376%0.76240%0.401SS*.Hα-helixtrans-71.1-33.1172-71.1-177-10.100111.4T221 A222 L226T221-Q224 PolarHBondContact O-N 3.16Å; A222-Q224 VanDerWaalsContact C-N 3.28Å; A222-Q224 PolarHBondContact O-N 3.06Å; Q224-L226 VanDerWaalsContact C-N 3.27Å; Q224-L226 PolarHBondContact O-N 3.26Å
225S46.7Very low65.8Low44 Ų4472 Ų7231%0.30837%0.373SS..Hα-helixtrans-69.6-18.8169.8170.30000113.3A222 R223 F227 G228A222-S225 WeakPolarHBondContact O-CB 3.07Å; A222-S225 PolarHBondContact O-N 3.2Å; A222-S225 VanDerWaalsContact O-N 3.16Å; R223-S225 VanDerWaalsContact C-N 3.33Å; S225-F227 PolarHBondContact O-N 3.36Å; S225-F227 VanDerWaalsContact O-N 3.16Å; S225-G228 PolarHBondContact O-N 3.41Å; S225-G228 VanDerWaalsContact O-O 3.13Å
226L42.9Very low67Low121 Ų12170.4 Ų70.463%0.63436%0.362SS*.THydrogen-bonded Turntrans-63.2-18.5177.2-70.1170.6000113.3A222 R223 Q224 G228A222-L226 PolarHBondContact O-N 3.24Å; R223-L226 HydrophobicContact CB-CD1 3.89Å; R223-L226 HydrophobicContact CG-CD1 3.7Å; R223-L226 WeakPolarHBondContact O-CB 3.37Å; R223-L226 PolarHBondContact O-N 2.8Å; Q224-L226 VanDerWaalsContact C-N 3.27Å; Q224-L226 PolarHBondContact O-N 3.26Å; L226-G228 VanDerWaalsContact C-N 3.29Å
227F44.7Very low67.9Low190 Ų19068.2 Ų68.283%0.83335%0.351SS*.THydrogen-bonded Turntrans-78.7-13.5172.7-66.5-74.8000113.1S225S225-F227 PolarHBondContact O-N 3.36Å; S225-F227 VanDerWaalsContact O-N 3.16Å
228G51.6Low68.7Low40 Ų4068.1 Ų68.141%0.41235%0.351SS..  trans-99.3101.8168.300000110.4S225 L226 Q230S225-G228 PolarHBondContact O-N 3.41Å; S225-G228 VanDerWaalsContact O-O 3.13Å; L226-G228 VanDerWaalsContact C-N 3.29Å; G228-Q230 PolarHBondContact O-N 3.29Å
229F58.2Low70Confident217 Ų21763.9 Ų63.995%0.95232%0.321SS*.SBendtrans-58.9-6.3170.7-78-84.7000113.6
230Q75.7Confident71.6Confident62 Ų6265.1 Ų65.129%0.2932%0.324SS..SBendtrans-122.5129.2-175.2-164.9-179.9-9.300111.8G228 T550G228-Q230 PolarHBondContact O-N 3.29Å; Q230-T550 PolarHBondContact NE2-O 3Å; Q230-T550 PolarHBondContact OE1-O 2.88Å
231R88Confident73.5Confident51 Ų5160.5 Ų60.519%0.19230%0.304CS..PPolyproline II helixtrans-66.6144.2174.9-67.8167.261.7-164.2-0.2111V183 P184 D533V183-R231 PolarHBondContact O-NE 2.89Å; V183-R231 PolarHBondContact O-NH2 2.65Å; P184-R231 PolarHBondContact O-NH2 3.32Å; R231-D533 IonicContact CZ-OD1 2.97Å; R231-D533 IonicContact CZ-OD2 3.24Å; R231-D533 IonicContact NH1-OD1 4Å; R231-D533 PolarHBondContact NH1-OD1 2.86Å; R231-D533 IonicContact NH1-OD2 2.9Å; R231-D533 PolarHBondContact NH1-OD2 3.36Å; R231-D533 IonicContact NH2-OD1 3.04Å; R231-D533 PolarHBondContact NH2-OD1 2.98Å
232P92.7Very high75.5Confident2 Ų257.5 Ų57.51%0.01329%0.285CS..PPolyproline II helixtrans-69.8156.4175.928.7-33.4000111.7C182 P184 I185 E553C182-P232 HydrophobicContact CB-CG 3.87Å; P184-P232 CarbonylContact C-O 3.58Å; P184-P232 WeakPolarHBondContact CA-O 3.22Å; P184-P232 HydrophobicContact CB-CG 4.29Å; P184-P232 WeakPolarHBondContact CB-O 3.38Å; I185-P232 PolarHBondContact N-O 2.88Å; P232-E553 WeakPolarHBondContact CA-O 3.38Å; P232-E553 HydrophobicContact CB-CB 4.05Å; P232-E553 HydrophobicContact CB-CG 3.84Å
233L95.2Very high77.6Confident0 Ų057.6 Ų57.60%028%0.284CS..EExtended strand (participates in β ladder)trans-94.1124172.6-179.266.6000109.7I185 R187 I235 L517 M518 F551 E553 A554 I555I185-L233 CarbonylContact O-C 3.58Å; R187-L233 HydrophobicContact CB-CD1 4.41Å; R187-L233 HydrophobicContact CG-CD1 3.56Å; L233-I235 HydrophobicContact CD2-CD1 3.69Å; L233-I235 HydrophobicContact CD2-CG1 3.74Å; L233-I235 HydrophobicContact CG-CD1 4.26Å; L233-I235 HydrophobicContact CG-CG1 3.78Å; L233-L517 HydrophobicContact CD2-CB 3.94Å; L233-M518 HydrophobicContact CD2-CG 3.99Å; L233-F551 HydrophobicContact CB-CB 4.2Å; L233-F551 HydrophobicContact CB-CD1 3.71Å; L233-F551 HydrophobicContact CB-CD2 4.2Å; L233-F551 HydrophobicContact CB-CE1 4.05Å; L233-F551 HydrophobicContact CB-CG 3.78Å; L233-F551 HydrophobicContact CB-CZ 4.45Å; L233-F551 HydrophobicContact CD1-CD2 4.38Å; L233-F551 HydrophobicContact CD1-CE1 4.3Å; L233-F551 HydrophobicContact CD1-CE2 4Å; L233-F551 HydrophobicContact CD1-CZ 3.95Å; L233-F551 HydrophobicContact CD2-CD2 3.93Å; L233-F551 HydrophobicContact CD2-CE2 4.28Å; L233-F551 HydrophobicContact CD2-CG 4.25Å; L233-F551 HydrophobicContact CG-CD2 4.41Å; L233-F551 HydrophobicContact CG-CG 4.47Å; L233-E553 PolarHBondContact N-O 3.26Å; L233-A554 HydrophobicContact CB-CB 4.32Å; L233-A554 CarbonylContact O-C 3.57Å; L233-A554 WeakPolarHBondContact O-CA 3.35Å; L233-I555 PolarHBondContact O-N 3.4Å
234L97.7Very high79.8Confident1 Ų150.6 Ų50.61%0.00526%0.259CS..EExtended strand (participates in β ladder)trans-98.1117168.1173.859.8000109P184 I185 I186 R187 L201 I236 I555 F557P184-L234 HydrophobicContact CB-CB 3.62Å; P184-L234 HydrophobicContact CG-CB 3.88Å; P184-L234 HydrophobicContact CG-CD2 4.15Å; I185-L234 PolarHBondContact O-N 2.92Å; I186-L234 CarbonylContact C-O 3.55Å; I186-L234 WeakPolarHBondContact CA-O 3.38Å; I186-L234 HydrophobicContact CG1-CB 4.41Å; I186-L234 HydrophobicContact CG1-CD2 4.19Å; I186-L234 HydrophobicContact CG2-CD2 4.27Å; I186-L234 HydrophobicContact CG2-CG 4.33Å; R187-L234 PolarHBondContact N-O 3.08Å; L201-L234 HydrophobicContact CD2-CD2 3.36Å; L234-I236 HydrophobicContact CD1-CG1 4.25Å; L234-I236 HydrophobicContact CD2-CD1 4.18Å; L234-I236 HydrophobicContact CD2-CG1 4.35Å; L234-I236 HydrophobicContact CG-CD1 4.36Å; L234-I236 HydrophobicContact CG-CG1 4Å; L234-I555 CarbonylContact C-O 3.44Å; L234-I555 WeakPolarHBondContact CA-O 3.39Å; L234-I555 HydrophobicContact CD1-CB 3.79Å; L234-I555 HydrophobicContact CD1-CG2 3.68Å; L234-F557 HydrophobicContact CD1-CB 4.5Å
235I97.6Very high82.1Confident0 Ų043 Ų430%022%0.224CC..EExtended strand (participates in β ladder)trans-106.3117.7176.6-55.1171.2000107.6R187 L233 V513 V514 L517 I555 V556 F557R187-I235 WeakPolarHBondContact O-CA 3.34Å; L233-I235 HydrophobicContact CD2-CD1 3.69Å; L233-I235 HydrophobicContact CD2-CG1 3.74Å; L233-I235 HydrophobicContact CG-CD1 4.26Å; L233-I235 HydrophobicContact CG-CG1 3.78Å; I235-V513 HydrophobicContact CG2-CG1 4.14Å; I235-V514 HydrophobicContact CD1-CB 4.26Å; I235-V514 HydrophobicContact CD1-CG1 4.36Å; I235-V514 HydrophobicContact CD1-CG2 3.88Å; I235-L517 HydrophobicContact CD1-CB 4.1Å; I235-L517 HydrophobicContact CD1-CD1 3.84Å; I235-L517 HydrophobicContact CG1-CD1 3.9Å; I235-L517 HydrophobicContact CG2-CD1 3.85Å; I235-I555 PolarHBondContact N-O 3.01Å; I235-V556 HydrophobicContact CD1-CG2 4.48Å; I235-V556 CarbonylContact O-C 3.3Å; I235-V556 WeakPolarHBondContact O-CA 3.48Å; I235-F557 PolarHBondContact O-N 3.4Å
236I98.3Very high84.4Confident0 Ų041.1 Ų41.10%021%0.21CC..EExtended strand (participates in β ladder)trans-107.6123.8176.1-54.9176.3000107.7L173 I186 R187 C188 P189 A194 V197 A198 L201 L234 F557 I559L173-I236 HydrophobicContact CD1-CD1 3.89Å; L173-I236 HydrophobicContact CD1-CG1 4.37Å; I186-I236 HydrophobicContact CG2-CD1 3.84Å; I186-I236 HydrophobicContact CG2-CG1 4.33Å; R187-I236 PolarHBondContact O-N 2.92Å; C188-I236 WeakPolarHBondContact CA-O 3.48Å; C188-I236 HydrophobicContact CB-CB 4.15Å; P189-I236 WeakPolarHBondContact CD-O 3.4Å; A194-I236 HydrophobicContact CB-CB 4.37Å; A194-I236 HydrophobicContact CB-CG2 3.68Å; V197-I236 HydrophobicContact CG1-CD1 4.28Å; A198-I236 HydrophobicContact CB-CD1 4.01Å; L201-I236 HydrophobicContact CD2-CD1 4.42Å; L234-I236 HydrophobicContact CD1-CG1 4.25Å; L234-I236 HydrophobicContact CD2-CD1 4.18Å; L234-I236 HydrophobicContact CD2-CG1 4.35Å; L234-I236 HydrophobicContact CG-CD1 4.36Å; L234-I236 HydrophobicContact CG-CG1 4Å; I236-F557 HydrophobicContact CG2-CD1 4.31Å; I236-I559 HydrophobicContact CG2-CD1 3.64Å; I236-I559 HydrophobicContact CG2-CG1 4.17Å
237C96.4Very high86.9Confident0 Ų035.4 Ų35.40%018%0.18CC..EExtended strand (participates in β ladder)trans-125.9151179.7-68.30000110.3L241 L510 F557 M558 I559C237-L241 HydrophobicContact CB-CD2 4.31Å; C237-L510 HydrophobicContact CB-CD1 4.22Å; C237-F557 PolarHBondContact N-O 3.19Å; C237-M558 HydrophobicContact CB-CE 4.06Å; C237-M558 HydrophobicContact CB-SD 4.14Å; C237-I559 PolarHBondContact O-N 3.01Å
238D94.2Very high89.3Confident14 Ų1427.2 Ų27.28%0.07514%0.144CC..EExtended strand (participates in β ladder)trans-94.9149168.6-57.4-84.2000110.7N192 A193 A194 S240 L241 M558N192-D238 WeakPolarHBondContact CB-OD2 3.04Å; A193-D238 WeakPolarHBondContact CB-OD1 3.45Å; A193-D238 PolarHBondContact N-OD1 3.22Å; A194-D238 WeakPolarHBondContact CB-OD2 3.41Å; A194-D238 PolarHBondContact N-OD1 3.42Å; A194-D238 PolarHBondContact N-OD2 3.36Å; D238-S240 PolarHBondContact O-N 2.8Å; D238-L241 WeakPolarHBondContact O-CB 3.38Å; D238-L241 PolarHBondContact O-N 2.97Å; D238-M558 VanDerWaalsContact C-SD 3.57Å
239R93.8Very high91.4Very high1 Ų125.4 Ų25.40%0.00413%0.125CC..G310 helixtrans-58.1-23.5178.5-178.769.8-69.1152.2-0.3113.7F149 L241 D242 L243 M558 I559 G560 G561 E566 F592F149-R239 HydrophobicContact CD2-CB 3.68Å; F149-R239 HydrophobicContact CD2-CG 3.88Å; F149-R239 HydrophobicContact CE2-CB 3.89Å; F149-R239 HydrophobicContact CE2-CG 4.11Å; R239-L241 PolarHBondContact O-N 3.2Å; R239-D242 VanDerWaalsContact CZ-O 3.22Å; R239-D242 PolarHBondContact NE-O 3.19Å; R239-D242 PolarHBondContact NH2-O 3.01Å; R239-D242 CarbonylContact O-C 3.5Å; R239-D242 VanDerWaalsContact O-C 3.3Å; R239-D242 PolarHBondContact O-N 3.27Å; R239-D242 VanDerWaalsContact O-O 3.12Å; R239-L243 HydrophobicContact CG-CD2 4.14Å; R239-M558 HydrophobicContact CB-SD 4.43Å; R239-I559 VanDerWaalsContact CB-O 3.27Å; R239-I559 WeakPolarHBondContact CB-O 3.4Å; R239-I559 PolarHBondContact N-O 3.35Å; R239-G560 WeakPolarHBondContact CB-O 3.4Å; R239-G560 WeakPolarHBondContact CG-O 3.46Å; R239-G561 WeakPolarHBondContact CD-O 3.39Å; R239-G561 PolarHBondContact NH1-O 2.7Å; R239-G561 VanDerWaalsContact NH1-O 3.09Å; R239-E566 IonicContact CZ-OE1 2.75Å; R239-E566 IonicContact NH1-OE1 3.22Å; R239-E566 PolarHBondContact NH1-OE1 2.82Å; R239-E566 IonicContact NH1-OE2 2.81Å; R239-E566 PolarHBondContact NH1-OE2 3.11Å; R239-E566 IonicContact NH2-OE1 3.15Å; R239-E566 PolarHBondContact NH2-OE1 3.07Å; R239-F592 HydrophobicContact CG-CE2 3.78Å; R239-F592 HydrophobicContact CG-CZ 3.65Å
240S89.3Confident93Very high61 Ų6115.9 Ų15.943%0.4279%0.085SC..G310 helixtrans-58.3-16.3172.459.40000114D238 D242D238-S240 PolarHBondContact O-N 2.8Å; S240-D242 VanDerWaalsContact C-N 3.29Å; S240-D242 PolarHBondContact O-N 3.12Å
241L89.9Confident93.9Very high58 Ų5813.2 Ų13.230%0.3047%0.072SC..G310 helixtrans-57.5-41.7170.2176.766.8000112C237 D238 R239 P509 L510 V513C237-L241 HydrophobicContact CB-CD2 4.31Å; D238-L241 WeakPolarHBondContact O-CB 3.38Å; D238-L241 PolarHBondContact O-N 2.97Å; R239-L241 PolarHBondContact O-N 3.2Å; L241-P509 HydrophobicContact CG-CB 4.42Å; L241-L510 HydrophobicContact CD2-CB 4.42Å; L241-L510 HydrophobicContact CD2-CD1 4.21Å; L241-V513 HydrophobicContact CD1-CG2 4.2Å; L241-V513 HydrophobicContact CD2-CG2 4.13Å
242D91.6Very high94.1Very high15 Ų1511.7 Ų11.78%0.087%0.069CC..  trans-153.8104.9-176.8176.311.7000110R239 S240 A244 T245 P509R239-D242 VanDerWaalsContact CZ-O 3.22Å; R239-D242 PolarHBondContact NE-O 3.19Å; R239-D242 PolarHBondContact NH2-O 3.01Å; R239-D242 CarbonylContact O-C 3.5Å; R239-D242 VanDerWaalsContact O-C 3.3Å; R239-D242 PolarHBondContact O-N 3.27Å; R239-D242 VanDerWaalsContact O-O 3.12Å; S240-D242 VanDerWaalsContact C-N 3.29Å; S240-D242 PolarHBondContact O-N 3.12Å; D242-A244 PolarHBondContact OD1-N 3.05Å; D242-T245 PolarHBondContact OD1-N 3.33Å; D242-T245 VanDerWaalsContact OD2-CB 3.22Å; D242-T245 WeakPolarHBondContact OD2-CB 3.06Å; D242-T245 PolarHBondContact OD2-OG1 2.79Å; D242-P509 HydrophobicContact CB-CB 4.05Å; D242-P509 HydrophobicContact CB-CG 3.95Å; D242-P509 WeakPolarHBondContact OD2-CD 3.4Å
243L92.6Very high94.3Very high16 Ų1611.6 Ų11.68%0.0847%0.068CC..SBendtrans-91.7-9.6176.8-61.4178.2000112.7F149 R239 F247 L425 L454 F592F149-L243 HydrophobicContact CE2-CD2 4.25Å; F149-L243 HydrophobicContact CZ-CD2 3.92Å; R239-L243 HydrophobicContact CG-CD2 4.14Å; L243-F247 WeakPolarHBondContact O-CD2 3.2Å; L243-F247 VanDerWaalsContact O-CE2 3.22Å; L243-F247 WeakPolarHBondContact O-CE2 3.41Å; L243-L425 HydrophobicContact CB-CD1 3.93Å; L243-L425 HydrophobicContact CB-CD2 4.31Å; L243-L454 HydrophobicContact CD1-CD2 3.69Å; L243-F592 HydrophobicContact CD2-CE1 4.37Å; L243-F592 HydrophobicContact CD2-CZ 3.89Å
244A92.9Very high94.4Very high7 Ų711.6 Ų11.66%0.0587%0.068CC..SBendtrans-84.6-41.5-173.700000111.7D242 F247 H248 L425D242-A244 PolarHBondContact OD1-N 3.05Å; A244-F247 PolarHBondContact O-N 3.03Å; A244-H248 PolarHBondContact O-N 3.13Å; A244-L425 HydrophobicContact CB-CB 4.16Å; A244-L425 HydrophobicContact CB-CD1 4.16Å
245T94Very high94.3Very high4 Ų411.7 Ų11.73%0.0257%0.069CC..G310 helixtrans-54.2-43.2-176.8-69.40000114.2D242 F247 H248 L508 A565 E566D242-T245 PolarHBondContact OD1-N 3.33Å; D242-T245 VanDerWaalsContact OD2-CB 3.22Å; D242-T245 WeakPolarHBondContact OD2-CB 3.06Å; D242-T245 PolarHBondContact OD2-OG1 2.79Å; T245-F247 PolarHBondContact O-N 2.86Å; T245-H248 WeakPolarHBondContact O-CB 3.25Å; T245-H248 PolarHBondContact O-N 2.88Å; T245-L508 HydrophobicContact CG2-CD1 3.93Å; T245-A565 HydrophobicContact CG2-CB 4.18Å; T245-E566 HydrophobicContact CG2-CG 3.89Å
246P95.6Very high94.2Very high4 Ų411.8 Ų11.83%0.0267%0.07CC..G310 helixtrans-63.4-25.7177.6-22.833.7000114.6T563 G589 F592P246-T563 HydrophobicContact CB-CG2 4Å; P246-T563 HydrophobicContact CG-CG2 4.01Å; P246-G589 WeakPolarHBondContact O-CA 3.47Å; P246-F592 HydrophobicContact CB-CB 4.11Å; P246-F592 HydrophobicContact CB-CD1 3.44Å; P246-F592 VanDerWaalsContact CB-CD1 3.44Å; P246-F592 HydrophobicContact CB-CE1 3.94Å; P246-F592 HydrophobicContact CB-CG 3.81Å; P246-F592 HydrophobicContact CG-CD1 3.94Å; P246-F592 HydrophobicContact CG-CE1 3.91Å; P246-F592 HydrophobicContact CG-CG 4.4Å; P246-F592 HydrophobicContact CG-CZ 4.37Å
247F95.9Very high94.1Very high0 Ų011.8 Ų11.80%07%0.07CC..G310 helixtrans-83.9-21.9177.7-62.8-53.5000113.2L243 A244 T245 H249 R418 L421 V422 L425 F592 L593 L596L243-F247 WeakPolarHBondContact O-CD2 3.2Å; L243-F247 VanDerWaalsContact O-CE2 3.22Å; L243-F247 WeakPolarHBondContact O-CE2 3.41Å; A244-F247 PolarHBondContact O-N 3.03Å; T245-F247 PolarHBondContact O-N 2.86Å; F247-H249 PolarHBondContact O-N 2.74Å; F247-R418 HydrophobicContact CB-CB 4.36Å; F247-R418 HydrophobicContact CB-CG 4.46Å; F247-R418 HydrophobicContact CD1-CG 4.18Å; F247-R418 PolarHBondContact O-NE 3.18Å; F247-R418 PolarHBondContact O-NH2 3.24Å; F247-L421 HydrophobicContact CD1-CD1 4.08Å; F247-L421 HydrophobicContact CD2-CB 4.02Å; F247-L421 HydrophobicContact CD2-CD1 4.36Å; F247-L421 HydrophobicContact CE1-CD1 3.85Å; F247-L421 HydrophobicContact CE2-CB 4.32Å; F247-L421 HydrophobicContact CE2-CD1 4.15Å; F247-L421 HydrophobicContact CG-CB 4.31Å; F247-L421 HydrophobicContact CG-CD1 4.34Å; F247-L421 HydrophobicContact CZ-CD1 3.89Å; F247-V422 HydrophobicContact CB-CG2 3.78Å; F247-L425 HydrophobicContact CD2-CD1 4.01Å; F247-L425 HydrophobicContact CE2-CD1 4.15Å; F247-F592 HydrophobicContact CD1-CD1 4.27Å; F247-F592 AromaticContact CE1-CD1 3.59Å; F247-F592 HydrophobicContact CE1-CD1 3.59Å; F247-F592 HydrophobicContact CE1-CE1 4.34Å; F247-F592 HydrophobicContact CE1-CG 4.46Å; F247-F592 AromaticContact CE2-CD1 3.92Å; F247-F592 HydrophobicContact CE2-CD1 3.92Å; F247-F592 AromaticContact CE2-CE1 3.86Å; F247-F592 HydrophobicContact CE2-CE1 3.86Å; F247-F592 AromaticContact CZ-CD1 3.38Å; F247-F592 HydrophobicContact CZ-CD1 3.38Å; F247-F592 AromaticContact CZ-CE1 3.67Å; F247-F592 HydrophobicContact CZ-CE1 3.67Å; F247-F592 HydrophobicContact CZ-CG 4.49Å; F247-L593 HydrophobicContact CE1-CB 4.01Å; F247-L593 HydrophobicContact CE1-CD1 4.42Å; F247-L596 HydrophobicContact CE2-CD2 4.15Å; F247-L596 HydrophobicContact CZ-CD1 4.07Å; F247-L596 HydrophobicContact CZ-CD2 3.8Å; F247-L596 HydrophobicContact CZ-CG 4.4Å
248H93.7Very high94.1Very high19 Ų1912.4 Ų12.49%0.0887%0.072CC..SBendtrans-61.5130.6-179.6-173.6-135.9000111A244 T245 F385 E388 E389 M392 R418A244-H248 PolarHBondContact O-N 3.13Å; T245-H248 WeakPolarHBondContact O-CB 3.25Å; T245-H248 PolarHBondContact O-N 2.88Å; H248-F385 AromaticContact CE1-CE2 3.66Å; H248-F385 AromaticContact NE2-CD2 3.9Å; H248-F385 AromaticContact NE2-CE2 3.89Å; H248-E388 VanDerWaalsContact CD2-CB 3.48Å; H248-E388 WeakPolarHBondContact CD2-CB 3.43Å; H248-E388 IonicContact CD2-OE2 2.8Å; H248-E388 PolarHBondContact CD2-OE2 2.99Å; H248-E388 VanDerWaalsContact CD2-OE2 3.24Å; H248-E389 IonicContact CE1-OE1 3.43Å; H248-E389 PolarHBondContact CE1-OE1 3.22Å; H248-E389 VanDerWaalsContact CE1-OE1 3.28Å; H248-E389 IonicContact NE2-OE1 2.92Å; H248-M392 HydrophobicContact CB-SD 4.01Å; H248-M392 VanDerWaalsContact CD2-SD 3.58Å; H248-R418 PolarHBondContact O-NH2 3.4Å
249H95.9Very high94.2Very high2 Ų212.3 Ų12.31%0.0097%0.072CC..  trans-63.4137.8166.1-71.888.5000108.8F247 D259 F385 E388 D415 R418F247-H249 PolarHBondContact O-N 2.74Å; H249-D259 IonicContact CD2-OD2 3.8Å; H249-F385 HydrophobicContact CB-CB 4.44Å; H249-F385 VanDerWaalsContact O-CD2 3.25Å; H249-F385 WeakPolarHBondContact O-CD2 3.47Å; H249-E388 WeakPolarHBondContact CB-OE2 3.28Å; H249-E388 IonicContact CE1-OE1 2.7Å; H249-E388 IonicContact CG-OE2 2.83Å; H249-E388 PolarHBondContact N-OE2 3.48Å; H249-E388 IonicContact ND1-OE1 3.03Å; H249-E388 PolarHBondContact ND1-OE1 3.41Å; H249-E388 IonicContact ND1-OE2 3.08Å; H249-E388 PolarHBondContact ND1-OE2 3.43Å; H249-E388 VanDerWaalsContact ND1-OE2 3.14Å; H249-D415 IonicContact CE1-OD1 3.51Å; H249-D415 IonicContact NE2-OD1 3.54Å; H249-D415 PolarHBondContact NE2-OD1 2.9Å; H249-D415 VanDerWaalsContact NE2-OD1 3.07Å; H249-R418 PolarHBondContact CD2-NH1 2.97Å; H249-R418 PolarHBondContact NE2-NH1 3.04Å; H249-R418 VanDerWaalsContact NE2-NH1 3.13Å
250T92.5Very high94.3Very high17 Ų1713 Ų1310%0.1048%0.076CC..  trans-106.7155.2-175.566.40000110.1A255 L256 A565T250-A255 HydrophobicContact CG2-CB 3.91Å; T250-A255 VanDerWaalsContact OG1-CB 3.23Å; T250-A255 WeakPolarHBondContact OG1-CB 3.14Å; T250-A255 PolarHBondContact OG1-O 3.12Å; T250-L256 WeakPolarHBondContact O-CD1 3.02Å; T250-L256 WeakPolarHBondContact OG1-CA 3.18Å; T250-L256 PolarHBondContact OG1-N 2.82Å; T250-L256 VanDerWaalsContact OG1-N 3.13Å; T250-A565 HydrophobicContact CG2-CB 4.01Å
251W93.5Very high94.6Very high5 Ų510.9 Ų10.92%0.0196%0.06CC..  trans-127.15.6-176.5-144.1-109.7000113.7P296 F297 I376 L381 D382 F385 V498 L501 I503W251-P296 WeakPolarHBondContact O-CA 3.48Å; W251-F297 PolarHBondContact O-N 3Å; W251-I376 HydrophobicContact CH2-CD1 4.28Å; W251-I376 HydrophobicContact CH2-CG1 4.43Å; W251-I376 HydrophobicContact CH2-CG2 3.88Å; W251-L381 HydrophobicContact CZ3-CB 4.17Å; W251-D382 HydrophobicContact CH2-CB 3.79Å; W251-D382 HydrophobicContact CZ2-CB 4.27Å; W251-F385 HydrophobicContact CB-CD2 4.09Å; W251-F385 HydrophobicContact CB-CE1 4.27Å; W251-F385 HydrophobicContact CB-CE2 3.7Å; W251-F385 HydrophobicContact CB-CZ 3.79Å; W251-F385 HydrophobicContact CD2-CD1 4.44Å; W251-F385 HydrophobicContact CD2-CG 4.35Å; W251-F385 HydrophobicContact CE3-CB 4.06Å; W251-F385 HydrophobicContact CE3-CD1 4.48Å; W251-F385 HydrophobicContact CE3-CD2 4.25Å; W251-F385 AromaticContact CE3-CG 3.99Å; W251-F385 HydrophobicContact CE3-CG 3.99Å; W251-F385 HydrophobicContact CG-CE1 4.38Å; W251-F385 HydrophobicContact CG-CZ 4.38Å; W251-F385 HydrophobicContact CZ3-CB 4.22Å; W251-V498 HydrophobicContact CZ2-CG1 3.96Å; W251-L501 HydrophobicContact CZ2-CD1 4.08Å; W251-I503 HydrophobicContact CB-CD1 3.85Å; W251-I503 HydrophobicContact CB-CG1 4.04Å
252T93.9Very high94.8Very high20 Ų2011.1 Ų11.112%0.1237%0.07CC..BIsolated β-bridgetrans-90.5148.2170.557.10000109.9Q254 A255 L256 G294 S295 I503T252-Q254 PolarHBondContact O-N 2.99Å; T252-A255 PolarHBondContact O-N 3.4Å; T252-A255 WeakPolarHBondContact OG1-CB 3.49Å; T252-L256 WeakPolarHBondContact O-CB 3.38Å; T252-L256 PolarHBondContact O-N 3.33Å; T252-G294 WeakPolarHBondContact CG2-O 3.29Å; T252-S295 WeakPolarHBondContact CA-O 3.21Å; T252-I503 HydrophobicContact CG2-CD1 3.58Å
253Y96.1Very high94.9Very high0 Ų010.7 Ų10.70%07%0.067CC..Hα-helixtrans-56.4-51-169-176.7-144.6000114.1L256 V257 F288 W289 S295 F297 V300 H365 I368Y253-L256 PolarHBondContact O-N 3.11Å; Y253-V257 HydrophobicContact CD2-CG2 3.79Å; Y253-V257 HydrophobicContact CE2-CG2 3.64Å; Y253-V257 WeakPolarHBondContact O-CB 3.14Å; Y253-V257 WeakPolarHBondContact O-CG2 3.48Å; Y253-V257 PolarHBondContact O-N 3.13Å; Y253-F288 HydrophobicContact CE1-CE1 4.34Å; Y253-W289 AromaticContact CD1-CE3 4Å; Y253-W289 HydrophobicContact CD1-CE3 4Å; Y253-W289 AromaticContact CD1-CZ3 3.83Å; Y253-W289 HydrophobicContact CD1-CZ3 3.83Å; Y253-W289 AromaticContact CE1-CE3 3.64Å; Y253-W289 HydrophobicContact CE1-CE3 3.64Å; Y253-W289 AromaticContact CE1-CZ3 3.58Å; Y253-W289 HydrophobicContact CE1-CZ3 3.58Å; Y253-S295 PolarHBondContact N-O 2.94Å; Y253-F297 HydrophobicContact CD2-CD2 4.25Å; Y253-V300 HydrophobicContact CD1-CG1 3.74Å; Y253-V300 HydrophobicContact CD1-CG2 4.17Å; Y253-V300 HydrophobicContact CD2-CG1 4.19Å; Y253-V300 HydrophobicContact CE1-CG1 3.87Å; Y253-V300 HydrophobicContact CE2-CG1 4.32Å; Y253-V300 HydrophobicContact CG-CB 4.37Å; Y253-V300 HydrophobicContact CG-CG1 3.91Å; Y253-V300 HydrophobicContact CG-CG2 3.97Å; Y253-H365 AromaticContact CE1-ND1 3.76Å; Y253-H365 AromaticContact CZ-ND1 3.87Å; Y253-H365 PolarHBondContact OH-ND1 3.46Å; Y253-I368 HydrophobicContact CE2-CG2 3.97Å; Y253-I368 WeakPolarHBondContact OH-CG2 3.26Å
254Q96.3Very high95Very high0 Ų013.2 Ų13.20%08%0.079CC..Hα-helixtrans-64.7-44.6-179.4175.1174.250.500112.9E132 T252 L256 H258 F263 W289 K293 Y564E132-Q254 PolarHBondContact OE1-NE2 3Å; T252-Q254 PolarHBondContact O-N 2.99Å; Q254-L256 VanDerWaalsContact C-N 3.33Å; Q254-H258 PolarHBondContact O-N 3.18Å; Q254-H258 VanDerWaalsContact O-N 3.1Å; Q254-F263 HydrophobicContact CG-CE1 4.37Å; Q254-W289 HydrophobicContact CB-CH2 3.94Å; Q254-W289 HydrophobicContact CB-CZ2 3.86Å; Q254-W289 HydrophobicContact CG-CH2 4.13Å; Q254-W289 HydrophobicContact CG-CZ2 3.73Å; Q254-K293 HydrophobicContact CB-CB 3.98Å; Q254-K293 VanDerWaalsContact CB-O 3.28Å; Q254-K293 WeakPolarHBondContact CB-O 3.49Å; Q254-K293 PolarHBondContact N-O 3.42Å; Q254-Y564 HydrophobicContact CG-CD1 3.51Å; Q254-Y564 HydrophobicContact CG-CD2 4.11Å; Q254-Y564 HydrophobicContact CG-CE1 3.65Å; Q254-Y564 HydrophobicContact CG-CE2 4.23Å; Q254-Y564 HydrophobicContact CG-CG 3.74Å
255A95.8Very high95Very high3 Ų313.9 Ų13.93%0.0258%0.081CC..Hα-helixtrans-68.6-37.4-179.100000111.2T250 T252 H258 D259T250-A255 HydrophobicContact CG2-CB 3.91Å; T250-A255 VanDerWaalsContact OG1-CB 3.23Å; T250-A255 WeakPolarHBondContact OG1-CB 3.14Å; T250-A255 PolarHBondContact OG1-O 3.12Å; T252-A255 PolarHBondContact O-N 3.4Å; T252-A255 WeakPolarHBondContact OG1-CB 3.49Å; A255-H258 PolarHBondContact O-N 2.92Å; A255-D259 WeakPolarHBondContact O-CB 3.33Å; A255-D259 PolarHBondContact O-N 2.97Å
256L96Very high95Very high2 Ų214.1 Ų14.11%0.018%0.083CC..Hα-helixtrans-70.4-41.8179.3-17754.8000111.4T250 T252 Y253 Q254 H258 D259 V260 F297 V372 I376T250-L256 WeakPolarHBondContact O-CD1 3.02Å; T250-L256 WeakPolarHBondContact OG1-CA 3.18Å; T250-L256 PolarHBondContact OG1-N 2.82Å; T250-L256 VanDerWaalsContact OG1-N 3.13Å; T252-L256 WeakPolarHBondContact O-CB 3.38Å; T252-L256 PolarHBondContact O-N 3.33Å; Y253-L256 PolarHBondContact O-N 3.11Å; Q254-L256 VanDerWaalsContact C-N 3.33Å; L256-H258 VanDerWaalsContact C-N 3.29Å; L256-H258 PolarHBondContact O-N 3.07Å; L256-D259 PolarHBondContact O-N 2.78Å; L256-D259 VanDerWaalsContact O-N 3.16Å; L256-V260 HydrophobicContact CD1-CG1 3.75Å; L256-V260 VanDerWaalsContact O-CG2 3.29Å; L256-V260 WeakPolarHBondContact O-CG2 3.34Å; L256-V260 PolarHBondContact O-N 2.84Å; L256-F297 HydrophobicContact CD2-CB 3.96Å; L256-F297 HydrophobicContact CD2-CD1 4.42Å; L256-F297 HydrophobicContact CD2-CD2 4.22Å; L256-F297 HydrophobicContact CD2-CG 3.95Å; L256-V372 HydrophobicContact CD2-CG1 3.58Å; L256-V372 HydrophobicContact CG-CG1 3.67Å; L256-I376 HydrophobicContact CD2-CD1 3.91Å; L256-I376 HydrophobicContact CD2-CG1 4.43Å
257V97Very high95Very high0 Ų018.3 Ų18.30%010%0.098CC..Hα-helixtrans-56.4-45.3171.81680000110.6Y253 D259 L261 F263 V268 I368 V372Y253-V257 HydrophobicContact CD2-CG2 3.79Å; Y253-V257 HydrophobicContact CE2-CG2 3.64Å; Y253-V257 WeakPolarHBondContact O-CB 3.14Å; Y253-V257 WeakPolarHBondContact O-CG2 3.48Å; Y253-V257 PolarHBondContact O-N 3.13Å; V257-D259 VanDerWaalsContact C-N 3.32Å; V257-D259 PolarHBondContact O-N 2.82Å; V257-L261 HydrophobicContact CG1-CD1 4.4Å; V257-L261 WeakPolarHBondContact O-CA 3.42Å; V257-L261 WeakPolarHBondContact O-CB 3.25Å; V257-L261 PolarHBondContact O-N 2.94Å; V257-F263 HydrophobicContact CG1-CB 4.02Å; V257-F263 HydrophobicContact CG1-CD1 4.15Å; V257-F263 HydrophobicContact CG1-CD2 4.41Å; V257-F263 HydrophobicContact CG1-CG 3.96Å; V257-V268 HydrophobicContact CG1-CG1 4.38Å; V257-V268 HydrophobicContact CG1-CG2 3.81Å; V257-I368 HydrophobicContact CG1-CG2 4.36Å; V257-I368 HydrophobicContact CG2-CG2 3.59Å; V257-V372 HydrophobicContact CG2-CG2 3.72Å
258H96.7Very high94.9Very high13 Ų1318.3 Ų18.36%0.0610%0.098CC..Hα-helixtrans-65.7-31177.1-171.1-113.3000114.5Q254 A255 L256 F263 Y564 V587 N588Q254-H258 PolarHBondContact O-N 3.18Å; Q254-H258 VanDerWaalsContact O-N 3.1Å; A255-H258 PolarHBondContact O-N 2.92Å; L256-H258 VanDerWaalsContact C-N 3.29Å; L256-H258 PolarHBondContact O-N 3.07Å; H258-F263 HydrophobicContact CB-CD1 3.98Å; H258-F263 PolarHBondContact CD2-O 3.47Å; H258-F263 VanDerWaalsContact CD2-O 3.32Å; H258-Y564 HydrophobicContact CB-CD2 3.55Å; H258-Y564 HydrophobicContact CB-CE2 3.8Å; H258-Y564 AromaticContact CD2-CE2 3.69Å; H258-Y564 AromaticContact CG-CD2 3.56Å; H258-Y564 AromaticContact CG-CE2 3.64Å; H258-Y564 AromaticContact ND1-CD2 3.84Å; H258-V587 VanDerWaalsContact CE1-C 3.46Å; H258-N588 PolarHBondContact CE1-N 3.38Å; H258-N588 WeakPolarHBondContact O-CB 3.48Å; H258-N588 PolarHBondContact O-ND2 2.72Å
259D96.3Very high94.9Very high11 Ų1120.4 Ų20.46%0.05911%0.108CC..Hα-helixtrans-81-31.4-177.5-163.153.4000113H249 A255 L256 V257 R418 G589H249-D259 IonicContact CD2-OD2 3.8Å; A255-D259 WeakPolarHBondContact O-CB 3.33Å; A255-D259 PolarHBondContact O-N 2.97Å; L256-D259 PolarHBondContact O-N 2.78Å; L256-D259 VanDerWaalsContact O-N 3.16Å; V257-D259 VanDerWaalsContact C-N 3.32Å; V257-D259 PolarHBondContact O-N 2.82Å; D259-R418 IonicContact OD1-CZ 3.13Å; D259-R418 IonicContact OD1-NH1 2.71Å; D259-R418 PolarHBondContact OD1-NH1 2.76Å; D259-R418 IonicContact OD1-NH2 2.93Å; D259-R418 PolarHBondContact OD1-NH2 2.93Å; D259-R418 IonicContact OD2-CZ 2.76Å; D259-R418 IonicContact OD2-NH1 2.94Å; D259-R418 PolarHBondContact OD2-NH1 3.14Å; D259-R418 IonicContact OD2-NH2 2.64Å; D259-R418 PolarHBondContact OD2-NH2 3.07Å; D259-G589 PolarHBondContact OD1-N 2.9Å
260V95.5Very high94.8Very high17 Ų1721.2 Ų21.210%0.10311%0.112CC..Hα-helixtrans-114.8-16.9-171.9-49.70000114.5L256 V372 Q375 L381L256-V260 HydrophobicContact CD1-CG1 3.75Å; L256-V260 VanDerWaalsContact O-CG2 3.29Å; L256-V260 WeakPolarHBondContact O-CG2 3.34Å; L256-V260 PolarHBondContact O-N 2.84Å; V260-V372 HydrophobicContact CG2-CB 4.43Å; V260-V372 HydrophobicContact CG2-CG1 4.36Å; V260-V372 HydrophobicContact CG2-CG2 4.05Å; V260-Q375 HydrophobicContact CB-CB 3.89Å; V260-Q375 HydrophobicContact CB-CG 4.12Å; V260-Q375 HydrophobicContact CG1-CB 4.45Å; V260-Q375 HydrophobicContact CG2-CB 3.97Å; V260-Q375 HydrophobicContact CG2-CG 4.16Å; V260-L381 HydrophobicContact CG1-CD1 3.57Å
261L95.4Very high94.3Very high16 Ų1625.2 Ų25.28%0.08414%0.139CC..SBendtrans-120.2158.8176.1-53.7179.3000110.1V257 F263 V268 I270 I368 A371 V372 Q375V257-L261 HydrophobicContact CG1-CD1 4.4Å; V257-L261 WeakPolarHBondContact O-CA 3.42Å; V257-L261 WeakPolarHBondContact O-CB 3.25Å; V257-L261 PolarHBondContact O-N 2.94Å; L261-F263 PolarHBondContact O-N 3.05Å; L261-V268 HydrophobicContact CB-CG1 4.09Å; L261-V268 HydrophobicContact CD1-CG1 3.73Å; L261-I270 HydrophobicContact CD1-CG1 4.46Å; L261-I368 HydrophobicContact CD1-CG2 4.29Å; L261-A371 HydrophobicContact CD1-CB 4.12Å; L261-A371 HydrophobicContact CD2-CB 4.03Å; L261-V372 HydrophobicContact CD1-CG2 3.8Å; L261-V372 HydrophobicContact CG-CG2 4.27Å; L261-Q375 HydrophobicContact CD2-CG 4.37Å
262A93.1Very high93.6Very high62 Ų6226.7 Ų26.751%0.51215%0.15SC..EExtended strand (participates in β ladder)trans-74.198.517100000109V268 M269A262-V268 WeakPolarHBondContact O-CA 3.27Å; A262-M269 HydrophobicContact CB-CB 4.01Å; A262-M269 PolarHBondContact O-N 3.04Å
263F95.3Very high92.7Very high6 Ų630.8 Ų30.83%0.02619%0.186CC..EExtended strand (participates in β ladder)trans-120.5106.6-178.6-179.7-134.2000110.4Q254 V257 H258 L261 R267 V268 V282 W289 Y564Q254-F263 HydrophobicContact CG-CE1 4.37Å; V257-F263 HydrophobicContact CG1-CB 4.02Å; V257-F263 HydrophobicContact CG1-CD1 4.15Å; V257-F263 HydrophobicContact CG1-CD2 4.41Å; V257-F263 HydrophobicContact CG1-CG 3.96Å; H258-F263 HydrophobicContact CB-CD1 3.98Å; H258-F263 PolarHBondContact CD2-O 3.47Å; H258-F263 VanDerWaalsContact CD2-O 3.32Å; L261-F263 PolarHBondContact O-N 3.05Å; F263-R267 VanDerWaalsContact CA-O 3.3Å; F263-R267 WeakPolarHBondContact CA-O 3.34Å; F263-R267 WeakPolarHBondContact CD2-O 3.25Å; F263-V268 HydrophobicContact CB-CG2 4.49Å; F263-V268 HydrophobicContact CD2-CB 4.45Å; F263-V268 HydrophobicContact CD2-CG2 3.42Å; F263-V268 VanDerWaalsContact CD2-CG2 3.42Å; F263-V268 HydrophobicContact CE2-CG2 3.9Å; F263-V268 HydrophobicContact CG-CG2 4.19Å; F263-V282 HydrophobicContact CE2-CG2 4.48Å; F263-W289 HydrophobicContact CE1-CH2 4.28Å; F263-W289 HydrophobicContact CE1-CZ2 4.17Å; F263-W289 HydrophobicContact CZ-CH2 4.08Å; F263-W289 AromaticContact CZ-CZ2 3.83Å; F263-W289 HydrophobicContact CZ-CZ2 3.83Å; F263-Y564 AromaticContact CD1-CE2 3.97Å; F263-Y564 HydrophobicContact CD1-CE2 3.97Å; F263-Y564 AromaticContact CE1-CE2 3.81Å; F263-Y564 HydrophobicContact CE1-CE2 3.81Å; F263-Y564 AromaticContact CE1-CZ 3.8Å; F263-Y564 WeakPolarHBondContact CE1-OH 3.47Å
264E92.8Very high91.6Very high70 Ų7037.4 Ų37.433%0.32722%0.221SC..EExtended strand (participates in β ladder)trans-136.9141.5179.2-69.1-172.7-176.200110.2R140 N266 R267R140-E264 IonicContact CZ-OE2 2.87Å; R140-E264 IonicContact NH1-OE2 2.74Å; R140-E264 PolarHBondContact NH1-OE2 3.42Å; E264-N266 PolarHBondContact O-N 3.47Å; E264-N266 VanDerWaalsContact O-N 3.16Å; E264-R267 PolarHBondContact N-O 3.41Å; E264-R267 WeakPolarHBondContact O-CA 3.18Å; E264-R267 VanDerWaalsContact O-CB 3.32Å; E264-R267 WeakPolarHBondContact O-CB 3.21Å; E264-R267 PolarHBondContact O-N 2.98Å
265L93.9Very high90.5Very high20 Ų2040.6 Ų40.611%0.10526%0.255CS..THydrogen-bonded Turntrans50.142.3175-58.6-174000113.9D29 P33 I129 L131 R140 R267D29-L265 HydrophobicContact CB-CD1 4.03Å; P33-L265 HydrophobicContact CG-CB 4.22Å; P33-L265 HydrophobicContact CG-CD2 4.22Å; I129-L265 HydrophobicContact CD1-CD2 4.25Å; I129-L265 HydrophobicContact CG2-CD2 3.83Å; L131-L265 HydrophobicContact CD2-CD2 4.16Å; R140-L265 HydrophobicContact CG-CD2 4.49Å; R140-L265 HydrophobicContact CG-CG 4.36Å; L265-R267 VanDerWaalsContact C-N 3.26Å; L265-R267 PolarHBondContact O-N 2.84Å
266N94.5Very high89.8Confident10 Ų1046.3 Ų46.35%0.05328%0.284CS..THydrogen-bonded Turntrans62.826.5-176.5-63.8-13.9000114.6L131 E264 V282L131-N266 PolarHBondContact O-ND2 3.48Å; E264-N266 PolarHBondContact O-N 3.47Å; E264-N266 VanDerWaalsContact O-N 3.16Å; N266-V282 WeakPolarHBondContact CB-O 3.46Å; N266-V282 PolarHBondContact O-N 3.36Å
267R94.2Very high89.2Confident92 Ų9250 Ų5035%0.34731%0.309SS..EExtended strand (participates in β ladder)trans-123.9126.3177.8-61.2-179.7163.9-169.32.2111.4F263 E264 L265 E279 F280 D281F263-R267 VanDerWaalsContact CA-O 3.3Å; F263-R267 WeakPolarHBondContact CA-O 3.34Å; F263-R267 WeakPolarHBondContact CD2-O 3.25Å; E264-R267 PolarHBondContact N-O 3.41Å; E264-R267 WeakPolarHBondContact O-CA 3.18Å; E264-R267 VanDerWaalsContact O-CB 3.32Å; E264-R267 WeakPolarHBondContact O-CB 3.21Å; E264-R267 PolarHBondContact O-N 2.98Å; L265-R267 VanDerWaalsContact C-N 3.26Å; L265-R267 PolarHBondContact O-N 2.84Å; R267-E279 VanDerWaalsContact CD-OE1 3.27Å; R267-E279 WeakPolarHBondContact CD-OE1 3.36Å; R267-E279 IonicContact CZ-OE1 2.9Å; R267-E279 VanDerWaalsContact CZ-OE1 3.24Å; R267-E279 IonicContact NE-OE1 3.05Å; R267-E279 PolarHBondContact NE-OE1 2.88Å; R267-E279 IonicContact NH1-OE1 3.18Å; R267-E279 PolarHBondContact NH1-OE1 2.94Å; R267-F280 WeakPolarHBondContact CA-O 3.41Å; R267-D281 VanDerWaalsContact CG-OD1 3.29Å; R267-D281 WeakPolarHBondContact CG-OD1 3.39Å; R267-D281 IonicContact CZ-OD1 3.9Å; R267-D281 IonicContact NE-OD1 2.94Å; R267-D281 PolarHBondContact NE-OD1 2.92Å; R267-D281 IonicContact NH2-OD1 2.72Å
268V95.2Very high88.9Confident0 Ų054.2 Ų54.20%033%0.329CS..EExtended strand (participates in β ladder)trans-101.4124.3176.1-174.80000108.9V257 L261 A262 F263 I270 F280 V282 I368V257-V268 HydrophobicContact CG1-CG1 4.38Å; V257-V268 HydrophobicContact CG1-CG2 3.81Å; L261-V268 HydrophobicContact CB-CG1 4.09Å; L261-V268 HydrophobicContact CD1-CG1 3.73Å; A262-V268 WeakPolarHBondContact O-CA 3.27Å; F263-V268 HydrophobicContact CB-CG2 4.49Å; F263-V268 HydrophobicContact CD2-CB 4.45Å; F263-V268 HydrophobicContact CD2-CG2 3.42Å; F263-V268 VanDerWaalsContact CD2-CG2 3.42Å; F263-V268 HydrophobicContact CE2-CG2 3.9Å; F263-V268 HydrophobicContact CG-CG2 4.19Å; V268-I270 HydrophobicContact CG1-CD1 4.4Å; V268-I270 HydrophobicContact CG1-CG1 3.91Å; V268-F280 HydrophobicContact CB-CB 4.3Å; V268-F280 PolarHBondContact N-O 3.26Å; V268-F280 PolarHBondContact O-N 2.96Å; V268-V282 HydrophobicContact CG2-CG2 4.16Å; V268-I368 HydrophobicContact CB-CD1 4.37Å; V268-I368 HydrophobicContact CB-CG1 4.43Å; V268-I368 HydrophobicContact CG1-CG1 4.36Å; V268-I368 HydrophobicContact CG2-CD1 4.01Å; V268-I368 HydrophobicContact CG2-CG1 4.46Å
269M93.7Very high88.6Confident63 Ų6358.2 Ų58.231%0.3135%0.348SS..EExtended strand (participates in β ladder)trans-100.8117172.3-59.3-61.4-70.900109.3A262 C277 Q278 E279A262-M269 HydrophobicContact CB-CB 4.01Å; A262-M269 PolarHBondContact O-N 3.04Å; M269-C277 HydrophobicContact CE-CB 3.57Å; M269-Q278 WeakPolarHBondContact CA-O 3.19Å; M269-E279 HydrophobicContact CE-CB 4.12Å; M269-E279 HydrophobicContact SD-CB 3.52Å; M269-E279 VanDerWaalsContact SD-CB 3.52Å; M269-E279 HydrophobicContact SD-CG 3.57Å; M269-E279 VanDerWaalsContact SD-CG 3.57Å
270I92.2Very high88.4Confident18 Ų1859.2 Ų59.29%0.09235%0.352CS..EExtended strand (participates in β ladder)trans-108.8120.9178.1-55.2-176.9000108.7L261 V268 S272 C277 Q278 F280 I368 A371L261-I270 HydrophobicContact CD1-CG1 4.46Å; V268-I270 HydrophobicContact CG1-CD1 4.4Å; V268-I270 HydrophobicContact CG1-CG1 3.91Å; I270-S272 PolarHBondContact O-N 3.16Å; I270-C277 WeakPolarHBondContact O-CA 3.48Å; I270-Q278 PolarHBondContact N-O 3.46Å; I270-Q278 PolarHBondContact O-N 3.19Å; I270-F280 HydrophobicContact CB-CD2 4.49Å; I270-F280 HydrophobicContact CB-CE2 4.26Å; I270-F280 HydrophobicContact CD1-CD2 3.69Å; I270-F280 HydrophobicContact CD1-CE2 3.6Å; I270-F280 HydrophobicContact CG1-CD2 3.94Å; I270-F280 HydrophobicContact CG1-CE2 4.05Å; I270-I368 HydrophobicContact CD1-CG1 4.19Å; I270-A371 HydrophobicContact CD1-CB 3.87Å; I270-A371 HydrophobicContact CG1-CB 4.33Å; I270-A371 HydrophobicContact CG2-CB 3.81Å
271P82.3Confident88.2Confident101 Ų10162.3 Ų62.366%0.65637%0.368SS*.EExtended strand (participates in β ladder)trans-61.8124.2173-17.929.9000110.1
272S79.7Confident88.1Confident36 Ų3661.8 Ų61.825%0.25237%0.365SS..  trans-89.8151.6172.4-167.80000110.4I270 N274 G275 N276I270-S272 PolarHBondContact O-N 3.16Å; S272-N274 PolarHBondContact O-N 3.26Å; S272-G275 PolarHBondContact O-N 3.15Å; S272-N276 WeakPolarHBondContact CA-O 3.32Å; S272-N276 WeakPolarHBondContact CB-O 3.22Å; S272-N276 PolarHBondContact N-O 3.03Å
273A74.2Confident87.8Confident107 Ų10759.9 Ų59.988%0.88435%0.35SS*.THydrogen-bonded Turntrans-54.9-22.4176.200000113.7G275A273-G275 VanDerWaalsContact C-N 3.27Å; A273-G275 PolarHBondContact O-N 2.65Å
274N74.6Confident87.2Confident138 Ų13862 Ų6274%0.73836%0.363SS*.THydrogen-bonded Turntrans-84.23.9-179.7-60.5-6000113.5S272 N276S272-N274 PolarHBondContact O-N 3.26Å; N274-N276 PolarHBondContact O-N 2.92Å
275G73.2Confident86.9Confident68 Ų6863 Ų6370%0.70138%0.378SS*.SBendtrans81.1-8-175.300000114.7S272 A273S272-G275 PolarHBondContact O-N 3.15Å; A273-G275 VanDerWaalsContact C-N 3.27Å; A273-G275 PolarHBondContact O-N 2.65Å
276N79.7Confident86.8Confident122 Ų12262.2 Ų62.265%0.65237%0.373SS*.PPolyproline II helixtrans-81.7146.1170.6-68.8-9.5000110.2S272 N274S272-N276 WeakPolarHBondContact CA-O 3.32Å; S272-N276 WeakPolarHBondContact CB-O 3.22Å; S272-N276 PolarHBondContact N-O 3.03Å; N274-N276 PolarHBondContact O-N 2.92Å
277C83.9Confident86.6Confident79 Ų7969.4 Ų69.453%0.53440%0.404SS..EExtended strand (participates in β ladder)trans-91.1130.8169.2-68.60000109.7M269 I270M269-C277 HydrophobicContact CE-CB 3.57Å; I270-C277 WeakPolarHBondContact O-CA 3.48Å
278Q89.9Confident86.7Confident90 Ų9066 Ų6642%0.42139%0.392SS..EExtended strand (participates in β ladder)trans-85.4125.6168.5-70.5-177.3-12.300109M269 I270 F280M269-Q278 WeakPolarHBondContact CA-O 3.19Å; I270-Q278 PolarHBondContact N-O 3.46Å; I270-Q278 PolarHBondContact O-N 3.19Å; Q278-F280 HydrophobicContact CB-CD2 4.29Å; Q278-F280 HydrophobicContact CB-CE2 3.6Å; Q278-F280 HydrophobicContact CB-CZ 4.16Å
279E91.4Very high86.7Confident97 Ų9766.2 Ų66.245%0.45339%0.393SS..EExtended strand (participates in β ladder)trans-97.4129.4177-176.5172177.100109.6R267 M269R267-E279 VanDerWaalsContact CD-OE1 3.27Å; R267-E279 WeakPolarHBondContact CD-OE1 3.36Å; R267-E279 IonicContact CZ-OE1 2.9Å; R267-E279 VanDerWaalsContact CZ-OE1 3.24Å; R267-E279 IonicContact NE-OE1 3.05Å; R267-E279 PolarHBondContact NE-OE1 2.88Å; R267-E279 IonicContact NH1-OE1 3.18Å; R267-E279 PolarHBondContact NH1-OE1 2.94Å; M269-E279 HydrophobicContact CE-CB 4.12Å; M269-E279 HydrophobicContact SD-CB 3.52Å; M269-E279 VanDerWaalsContact SD-CB 3.52Å; M269-E279 HydrophobicContact SD-CG 3.57Å; M269-E279 VanDerWaalsContact SD-CG 3.57Å
280F92.5Very high86.7Confident31 Ų3166.4 Ų66.414%0.13640%0.395CS..EExtended strand (participates in β ladder)trans-124.9110.4-178.8-72.8-75.9000109.8R267 V268 I270 Q278 L364 N367 I368R267-F280 WeakPolarHBondContact CA-O 3.41Å; V268-F280 HydrophobicContact CB-CB 4.3Å; V268-F280 PolarHBondContact N-O 3.26Å; V268-F280 PolarHBondContact O-N 2.96Å; I270-F280 HydrophobicContact CB-CD2 4.49Å; I270-F280 HydrophobicContact CB-CE2 4.26Å; I270-F280 HydrophobicContact CD1-CD2 3.69Å; I270-F280 HydrophobicContact CD1-CE2 3.6Å; I270-F280 HydrophobicContact CG1-CD2 3.94Å; I270-F280 HydrophobicContact CG1-CE2 4.05Å; Q278-F280 HydrophobicContact CB-CD2 4.29Å; Q278-F280 HydrophobicContact CB-CE2 3.6Å; Q278-F280 HydrophobicContact CB-CZ 4.16Å; F280-L364 HydrophobicContact CB-CD1 3.5Å; F280-L364 VanDerWaalsContact CB-CD1 3.5Å; F280-L364 HydrophobicContact CD1-CD1 3.45Å; F280-L364 VanDerWaalsContact CD1-CD1 3.45Å; F280-L364 HydrophobicContact CE1-CD1 4.48Å; F280-L364 HydrophobicContact CG-CD1 3.81Å; F280-N367 HydrophobicContact CE1-CB 4.1Å; F280-N367 HydrophobicContact CE2-CB 4.25Å; F280-N367 HydrophobicContact CZ-CB 3.7Å; F280-I368 HydrophobicContact CB-CD1 4.45Å
281D91.1Very high86.8Confident83 Ų8370.1 Ų70.144%0.44442%0.419SS..EExtended strand (participates in β ladder)trans-80120.5174.9-69.3-55.5000110.8R267R267-D281 VanDerWaalsContact CG-OD1 3.29Å; R267-D281 WeakPolarHBondContact CG-OD1 3.39Å; R267-D281 IonicContact CZ-OD1 3.9Å; R267-D281 IonicContact NE-OD1 2.94Å; R267-D281 PolarHBondContact NE-OD1 2.92Å; R267-D281 IonicContact NH2-OD1 2.72Å
282V92.3Very high87.4Confident5 Ų567.1 Ų67.13%0.0340%0.396CS..  trans-95.595173.8-175.90000108.5F263 N266 V268 W289 I368F263-V282 HydrophobicContact CE2-CG2 4.48Å; N266-V282 WeakPolarHBondContact CB-O 3.46Å; N266-V282 PolarHBondContact O-N 3.36Å; V268-V282 HydrophobicContact CG2-CG2 4.16Å; V282-W289 HydrophobicContact CG1-CB 3.93Å; V282-W289 HydrophobicContact CG1-CD2 3.45Å; V282-W289 VanDerWaalsContact CG1-CD2 3.45Å; V282-W289 HydrophobicContact CG1-CE3 3.91Å; V282-W289 HydrophobicContact CG1-CG 3.45Å; V282-W289 VanDerWaalsContact CG1-CG 3.45Å; V282-W289 HydrophobicContact CG1-CZ2 4.4Å; V282-I368 HydrophobicContact CG2-CD1 4.16Å
283A86.6Confident88.1Confident22 Ų2266.5 Ų66.518%0.18239%0.389CS..  trans-68.7146.9-17600000112.1S285 D286A283-S285 PolarHBondContact O-N 2.51Å; A283-S285 VanDerWaalsContact O-N 3.16Å; A283-D286 WeakPolarHBondContact O-CB 3.36Å; A283-D286 PolarHBondContact O-N 3.47Å
284V84.4Confident89Confident51 Ų5162.6 Ų62.631%0.30936%0.359SS..THydrogen-bonded Turntrans-62-24.9174.3-175.20000111.7P33 D286 N290P33-V284 WeakPolarHBondContact O-CG2 3.27Å; V284-D286 VanDerWaalsContact C-N 3.28Å; V284-D286 PolarHBondContact O-N 2.73Å; V284-N290 PolarHBondContact O-ND2 3.07Å
285S85.2Confident89.9Confident91 Ų9157.4 Ų57.464%0.63633%0.333SS*.THydrogen-bonded Turntrans-80.6-2.8175.256.30000114.3A283 K287A283-S285 PolarHBondContact O-N 2.51Å; A283-S285 VanDerWaalsContact O-N 3.16Å; S285-K287 PolarHBondContact O-N 3.42Å; S285-K287 VanDerWaalsContact O-N 3.13Å
286D92Very high90.8Very high2 Ų255.8 Ų55.81%0.01131%0.31CS..  trans-66.8110179.6-173-27.1000111A283 V284 F288 W289 N290 L361 H365A283-D286 WeakPolarHBondContact O-CB 3.36Å; A283-D286 PolarHBondContact O-N 3.47Å; V284-D286 VanDerWaalsContact C-N 3.28Å; V284-D286 PolarHBondContact O-N 2.73Å; D286-F288 PolarHBondContact OD1-N 2.83Å; D286-W289 HydrophobicContact CB-CB 3.83Å; D286-W289 PolarHBondContact OD1-N 3.19Å; D286-N290 WeakPolarHBondContact O-CB 3.46Å; D286-N290 PolarHBondContact O-N 3.16Å; D286-N290 PolarHBondContact O-ND2 3.15Å; D286-L361 HydrophobicContact CB-CD2 4.39Å; D286-L361 WeakPolarHBondContact OD2-CD2 3.44Å; D286-H365 IonicContact OD1-NE2 3.63Å; D286-H365 PolarHBondContact OD1-NE2 3.11Å; D286-H365 IonicContact OD2-CD2 3.28Å; D286-H365 IonicContact OD2-CE1 3.81Å; D286-H365 IonicContact OD2-NE2 3.24Å; D286-H365 PolarHBondContact OD2-NE2 3.07Å
287K91.4Very high91.5Very high161 Ų16150.1 Ų50.170%0.728%0.28SS*.Hα-helixtrans-68.4-34.9-178.3-66.3-179.6-178.41740112.4S285 T291S285-K287 PolarHBondContact O-N 3.42Å; S285-K287 VanDerWaalsContact O-N 3.13Å; K287-T291 WeakPolarHBondContact O-CB 3.16Å; K287-T291 PolarHBondContact O-N 3.28Å; K287-T291 PolarHBondContact O-OG1 3.14Å
288F94.5Very high91.8Very high22 Ų2246.9 Ų46.910%0.09626%0.258CS..Hα-helixtrans-70.6-49.1-179.4-176.8-81.8000109.4Y253 D286 N290 T291 H292 V300 A303 I304 E307 H365Y253-F288 HydrophobicContact CE1-CE1 4.34Å; D286-F288 PolarHBondContact OD1-N 2.83Å; F288-N290 PolarHBondContact O-N 2.84Å; F288-T291 PolarHBondContact O-N 3.45Å; F288-H292 AromaticContact CD2-CD2 3.9Å; F288-H292 HydrophobicContact CE1-CB 4.12Å; F288-H292 AromaticContact CE2-CD2 3.62Å; F288-H292 HydrophobicContact CZ-CB 4.36Å; F288-H292 AromaticContact CZ-CD2 3.72Å; F288-H292 PolarHBondContact O-N 3.36Å; F288-V300 HydrophobicContact CE1-CG1 3.84Å; F288-V300 HydrophobicContact CZ-CG1 3.93Å; F288-A303 HydrophobicContact CE2-CB 3.98Å; F288-A303 HydrophobicContact CZ-CB 4.15Å; F288-I304 HydrophobicContact CE1-CG1 4.03Å; F288-I304 HydrophobicContact CE2-CG1 4.04Å; F288-I304 HydrophobicContact CZ-CB 4.49Å; F288-I304 HydrophobicContact CZ-CD1 4.35Å; F288-I304 HydrophobicContact CZ-CG1 3.42Å; F288-I304 VanDerWaalsContact CZ-CG1 3.42Å; F288-E307 HydrophobicContact CD2-CG 4.2Å; F288-E307 HydrophobicContact CE2-CG 4.35Å; F288-H365 HydrophobicContact CD1-CB 4.01Å; F288-H365 AromaticContact CD1-CD2 3.14Å; F288-H365 WeakPolarHBondContact CD1-CD2 3.41Å; F288-H365 AromaticContact CD1-CE1 3.75Å; F288-H365 AromaticContact CD1-CG 3.34Å; F288-H365 AromaticContact CD1-ND1 3.7Å; F288-H365 AromaticContact CD1-NE2 3.38Å; F288-H365 WeakPolarHBondContact CD1-NE2 3.5Å; F288-H365 HydrophobicContact CE1-CB 3.97Å; F288-H365 AromaticContact CE1-CD2 3.98Å; F288-H365 AromaticContact CE1-CG 3.73Å; F288-H365 AromaticContact CG-CD2 3.54Å; F288-H365 AromaticContact CG-NE2 3.87Å
289W95.2Very high91.9Very high4 Ų446 Ų462%0.01526%0.256CS..Hα-helixtrans-55.1-51.6175.2-176.9-106.1000111.9E132 Y253 Q254 F263 V282 D286 T291 H292 K293 H365E132-W289 PolarHBondContact OE1-NE1 3.44Å; Y253-W289 AromaticContact CD1-CE3 4Å; Y253-W289 HydrophobicContact CD1-CE3 4Å; Y253-W289 AromaticContact CD1-CZ3 3.83Å; Y253-W289 HydrophobicContact CD1-CZ3 3.83Å; Y253-W289 AromaticContact CE1-CE3 3.64Å; Y253-W289 HydrophobicContact CE1-CE3 3.64Å; Y253-W289 AromaticContact CE1-CZ3 3.58Å; Y253-W289 HydrophobicContact CE1-CZ3 3.58Å; Q254-W289 HydrophobicContact CB-CH2 3.94Å; Q254-W289 HydrophobicContact CB-CZ2 3.86Å; Q254-W289 HydrophobicContact CG-CH2 4.13Å; Q254-W289 HydrophobicContact CG-CZ2 3.73Å; F263-W289 HydrophobicContact CE1-CH2 4.28Å; F263-W289 HydrophobicContact CE1-CZ2 4.17Å; F263-W289 HydrophobicContact CZ-CH2 4.08Å; F263-W289 AromaticContact CZ-CZ2 3.83Å; F263-W289 HydrophobicContact CZ-CZ2 3.83Å; V282-W289 HydrophobicContact CG1-CB 3.93Å; V282-W289 HydrophobicContact CG1-CD2 3.45Å; V282-W289 VanDerWaalsContact CG1-CD2 3.45Å; V282-W289 HydrophobicContact CG1-CE3 3.91Å; V282-W289 HydrophobicContact CG1-CG 3.45Å; V282-W289 VanDerWaalsContact CG1-CG 3.45Å; V282-W289 HydrophobicContact CG1-CZ2 4.4Å; D286-W289 HydrophobicContact CB-CB 3.83Å; D286-W289 PolarHBondContact OD1-N 3.19Å; W289-T291 PolarHBondContact O-N 3.48Å; W289-T291 VanDerWaalsContact O-N 3.16Å; W289-H292 PolarHBondContact O-N 2.81Å; W289-H292 VanDerWaalsContact O-N 3.15Å; W289-K293 HydrophobicContact CD2-CB 4.04Å; W289-K293 HydrophobicContact CG-CB 4.35Å; W289-K293 HydrophobicContact CZ2-CB 4.26Å; W289-K293 WeakPolarHBondContact O-CB 3.44Å; W289-K293 WeakPolarHBondContact O-CG 3.4Å; W289-K293 PolarHBondContact O-N 2.76Å; W289-H365 AromaticContact CE3-CE1 3.87Å
290N93.9Very high91.9Very high66 Ų6641.4 Ų41.435%0.35324%0.235SC..Hα-helixtrans-60.6-30.4-178.3-79.6-47.2000113.9V284 D286 F288 K293V284-N290 PolarHBondContact O-ND2 3.07Å; D286-N290 WeakPolarHBondContact O-CB 3.46Å; D286-N290 PolarHBondContact O-N 3.16Å; D286-N290 PolarHBondContact O-ND2 3.15Å; F288-N290 PolarHBondContact O-N 2.84Å; N290-K293 PolarHBondContact OD1-NZ 2.97Å
291T94.6Very high91.7Very high96 Ų9640 Ų4059%0.58923%0.229SC*.Hα-helixtrans-78.6-39.5177.8-54.70000111.6K287 F288 W289K287-T291 WeakPolarHBondContact O-CB 3.16Å; K287-T291 PolarHBondContact O-N 3.28Å; K287-T291 PolarHBondContact O-OG1 3.14Å; F288-T291 PolarHBondContact O-N 3.45Å; W289-T291 PolarHBondContact O-N 3.48Å; W289-T291 VanDerWaalsContact O-N 3.16Å
292H95.3Very high91.7Very high39 Ų3938.7 Ų38.718%0.18122%0.22CC..Hα-helixtrans-111.8-6.4-166.3-69.3-66000115.9F288 W289 G294 S295 V300 A303F288-H292 AromaticContact CD2-CD2 3.9Å; F288-H292 HydrophobicContact CE1-CB 4.12Å; F288-H292 AromaticContact CE2-CD2 3.62Å; F288-H292 HydrophobicContact CZ-CB 4.36Å; F288-H292 AromaticContact CZ-CD2 3.72Å; F288-H292 PolarHBondContact O-N 3.36Å; W289-H292 PolarHBondContact O-N 2.81Å; W289-H292 VanDerWaalsContact O-N 3.15Å; H292-G294 VanDerWaalsContact C-N 3.27Å; H292-G294 PolarHBondContact O-N 2.89Å; H292-S295 VanDerWaalsContact O-CB 3.3Å; H292-S295 WeakPolarHBondContact O-CB 3.47Å; H292-S295 PolarHBondContact O-N 3.07Å; H292-V300 HydrophobicContact CB-CG1 4.39Å; H292-V300 HydrophobicContact CB-CG2 3.91Å; H292-A303 VanDerWaalsContact CE1-CB 3.4Å; H292-A303 WeakPolarHBondContact CE1-CB 3.4Å; H292-A303 WeakPolarHBondContact NE2-CB 3.45Å
293K94.5Very high91.7Very high23 Ų2339.2 Ų39.210%0.123%0.225CC..THydrogen-bonded Turntrans-53.8-39-178.262.2-172.1-179.4-163.40114.1E132 Q254 W289 N290E132-K293 VanDerWaalsContact CD-NZ 3.29Å; E132-K293 IonicContact OE1-NZ 3.88Å; E132-K293 IonicContact OE2-NZ 2.65Å; E132-K293 PolarHBondContact OE2-NZ 3.16Å; Q254-K293 HydrophobicContact CB-CB 3.98Å; Q254-K293 VanDerWaalsContact CB-O 3.28Å; Q254-K293 WeakPolarHBondContact CB-O 3.49Å; Q254-K293 PolarHBondContact N-O 3.42Å; W289-K293 HydrophobicContact CD2-CB 4.04Å; W289-K293 HydrophobicContact CG-CB 4.35Å; W289-K293 HydrophobicContact CZ2-CB 4.26Å; W289-K293 WeakPolarHBondContact O-CB 3.44Å; W289-K293 WeakPolarHBondContact O-CG 3.4Å; W289-K293 PolarHBondContact O-N 2.76Å; N290-K293 PolarHBondContact OD1-NZ 2.97Å
294G93.2Very high92Very high25 Ų2538.3 Ų38.326%0.25822%0.217SC..THydrogen-bonded Turntrans-90.5-2.5176.200000114.8T252 H292 Q568T252-G294 WeakPolarHBondContact CG2-O 3.29Å; H292-G294 VanDerWaalsContact C-N 3.27Å; H292-G294 PolarHBondContact O-N 2.89Å; G294-Q568 VanDerWaalsContact CA-CD 3.46Å
295S93.6Very high92.2Very high28 Ų2837.6 Ų37.620%0.19621%0.21CC..SBendtrans-77.5148.9-177.7-68.70000111.5T252 Y253 H292T252-S295 WeakPolarHBondContact CA-O 3.21Å; Y253-S295 PolarHBondContact N-O 2.94Å; H292-S295 VanDerWaalsContact O-CB 3.3Å; H292-S295 WeakPolarHBondContact O-CB 3.47Å; H292-S295 PolarHBondContact O-N 3.07Å
296P92.7Very high92.6Very high34 Ų3437 Ų3722%0.22120%0.203CC..BIsolated β-bridgetrans-54.5139.6168.7-23.333.2000111.1W251 P298 N299 V300 I503W251-P296 WeakPolarHBondContact O-CA 3.48Å; P296-P298 VanDerWaalsContact C-CD 3.46Å; P296-N299 WeakPolarHBondContact O-CB 3.26Å; P296-N299 PolarHBondContact O-N 3.03Å; P296-V300 PolarHBondContact O-N 3.49Å; P296-I503 HydrophobicContact CB-CD1 4.07Å; P296-I503 HydrophobicContact CG-CD1 4.03Å; P296-I503 HydrophobicContact CG-CG1 4.47Å
297F93.4Very high92.5Very high4 Ų439.2 Ų39.22%0.01821%0.213CC..Hα-helixtrans-53.2-41-175.4-179.2-110.5000114.7W251 Y253 L256 N299 V300 A301 A369 V372 L373 I376 V498W251-F297 PolarHBondContact O-N 3Å; Y253-F297 HydrophobicContact CD2-CD2 4.25Å; L256-F297 HydrophobicContact CD2-CB 3.96Å; L256-F297 HydrophobicContact CD2-CD1 4.42Å; L256-F297 HydrophobicContact CD2-CD2 4.22Å; L256-F297 HydrophobicContact CD2-CG 3.95Å; F297-N299 VanDerWaalsContact C-N 3.31Å; F297-N299 PolarHBondContact O-N 2.87Å; F297-V300 WeakPolarHBondContact O-CB 3.32Å; F297-V300 PolarHBondContact O-N 3.05Å; F297-V300 VanDerWaalsContact O-N 3.09Å; F297-A301 PolarHBondContact O-N 2.81Å; F297-A369 HydrophobicContact CE2-CB 4.2Å; F297-V372 HydrophobicContact CD2-CG1 4.06Å; F297-V372 HydrophobicContact CE1-CG1 4.34Å; F297-V372 HydrophobicContact CE2-CB 4.01Å; F297-V372 HydrophobicContact CE2-CG1 3.59Å; F297-V372 HydrophobicContact CZ-CB 4.17Å; F297-V372 HydrophobicContact CZ-CG1 3.75Å; F297-L373 HydrophobicContact CE1-CB 4.5Å; F297-L373 HydrophobicContact CE1-CD1 4.38Å; F297-L373 HydrophobicContact CZ-CB 4.24Å; F297-I376 HydrophobicContact CD1-CD1 3.62Å; F297-I376 HydrophobicContact CE1-CD1 3.52Å; F297-I376 HydrophobicContact CG-CD1 4.46Å; F297-I376 HydrophobicContact CZ-CD1 4.29Å; F297-V498 HydrophobicContact CD1-CG1 4.33Å; F297-V498 HydrophobicContact CE1-CG2 4.42Å
298P89.7Confident92.4Very high11 Ų1133 Ų337%0.07119%0.187CC..Hα-helixtrans-56.1-43175-26.936.1000113.2P296 V300 A301 E302 M495 V498P296-P298 VanDerWaalsContact C-CD 3.46Å; P298-V300 VanDerWaalsContact C-N 3.26Å; P298-V300 PolarHBondContact O-N 3.09Å; P298-A301 PolarHBondContact O-N 3.39Å; P298-E302 PolarHBondContact O-N 3.22Å; P298-E302 VanDerWaalsContact O-N 3.09Å; P298-M495 WeakPolarHBondContact O-CE 3.4Å; P298-V498 HydrophobicContact CG-CG1 4.38Å
299N92Very high92.3Very high71 Ų7136.6 Ų36.638%0.3820%0.204SC..Hα-helixtrans-65.7-31.7179.3-637.1000112P296 F297 A303P296-N299 WeakPolarHBondContact O-CB 3.26Å; P296-N299 PolarHBondContact O-N 3.03Å; F297-N299 VanDerWaalsContact C-N 3.31Å; F297-N299 PolarHBondContact O-N 2.87Å; N299-A303 WeakPolarHBondContact O-CB 3.46Å; N299-A303 PolarHBondContact O-N 3.02Å
300V93Very high92Very high0 Ų039.5 Ų39.50%022%0.22CC..Hα-helixtrans-67.7-46.3178.5178.50000110.5Y253 F288 H292 P296 F297 P298 E302 A303 I304Y253-V300 HydrophobicContact CD1-CG1 3.74Å; Y253-V300 HydrophobicContact CD1-CG2 4.17Å; Y253-V300 HydrophobicContact CD2-CG1 4.19Å; Y253-V300 HydrophobicContact CE1-CG1 3.87Å; Y253-V300 HydrophobicContact CE2-CG1 4.32Å; Y253-V300 HydrophobicContact CG-CB 4.37Å; Y253-V300 HydrophobicContact CG-CG1 3.91Å; Y253-V300 HydrophobicContact CG-CG2 3.97Å; F288-V300 HydrophobicContact CE1-CG1 3.84Å; F288-V300 HydrophobicContact CZ-CG1 3.93Å; H292-V300 HydrophobicContact CB-CG1 4.39Å; H292-V300 HydrophobicContact CB-CG2 3.91Å; P296-V300 PolarHBondContact O-N 3.49Å; F297-V300 WeakPolarHBondContact O-CB 3.32Å; F297-V300 PolarHBondContact O-N 3.05Å; F297-V300 VanDerWaalsContact O-N 3.09Å; P298-V300 VanDerWaalsContact C-N 3.26Å; P298-V300 PolarHBondContact O-N 3.09Å; V300-E302 VanDerWaalsContact C-N 3.33Å; V300-E302 PolarHBondContact O-N 2.94Å; V300-A303 CarbonylContact O-C 3.52Å; V300-A303 WeakPolarHBondContact O-CA 3.36Å; V300-A303 WeakPolarHBondContact O-CB 3.48Å; V300-A303 PolarHBondContact O-N 2.71Å; V300-A303 VanDerWaalsContact O-N 3.09Å; V300-I304 HydrophobicContact CG1-CD1 4.27Å; V300-I304 WeakPolarHBondContact O-CG1 3.46Å; V300-I304 PolarHBondContact O-N 3.13Å
301A87Confident91.7Very high2 Ų237.5 Ų37.52%0.01721%0.208CC..Hα-helixtrans-73.9-26-178.200000112.2F297 P298 Q305 F493 M495F297-A301 PolarHBondContact O-N 2.81Å; P298-A301 PolarHBondContact O-N 3.39Å; A301-Q305 PolarHBondContact O-N 3.4Å; A301-F493 HydrophobicContact CB-CD1 4.47Å; A301-F493 HydrophobicContact CB-CE1 3.83Å; A301-M495 HydrophobicContact CB-CE 3.02Å
302E90.6Very high91.4Very high56 Ų5638.3 Ų38.326%0.26220%0.2SC..Hα-helixtrans-62.3-44.5163.6-73.4179.6-172.200111.3P298 V300 I304 Q305 V306 M495P298-E302 PolarHBondContact O-N 3.22Å; P298-E302 VanDerWaalsContact O-N 3.09Å; V300-E302 VanDerWaalsContact C-N 3.33Å; V300-E302 PolarHBondContact O-N 2.94Å; E302-I304 PolarHBondContact O-N 3.01Å; E302-Q305 WeakPolarHBondContact O-CB 3.39Å; E302-Q305 PolarHBondContact O-N 2.96Å; E302-V306 WeakPolarHBondContact O-CG2 3.39Å; E302-V306 PolarHBondContact O-N 3.15Å; E302-M495 HydrophobicContact CG-CE 4.19Å; E302-M495 VanDerWaalsContact N-CE 3.29Å
303A93.9Very high91.1Very high16 Ų1640.2 Ų40.213%0.13221%0.214CC..Hα-helixtrans-65.1-37.9178.900000113.1F288 H292 N299 V300 Q305 V306 E307F288-A303 HydrophobicContact CE2-CB 3.98Å; F288-A303 HydrophobicContact CZ-CB 4.15Å; H292-A303 VanDerWaalsContact CE1-CB 3.4Å; H292-A303 WeakPolarHBondContact CE1-CB 3.4Å; H292-A303 WeakPolarHBondContact NE2-CB 3.45Å; N299-A303 WeakPolarHBondContact O-CB 3.46Å; N299-A303 PolarHBondContact O-N 3.02Å; V300-A303 CarbonylContact O-C 3.52Å; V300-A303 WeakPolarHBondContact O-CA 3.36Å; V300-A303 WeakPolarHBondContact O-CB 3.48Å; V300-A303 PolarHBondContact O-N 2.71Å; V300-A303 VanDerWaalsContact O-N 3.09Å; A303-Q305 VanDerWaalsContact C-N 3.29Å; A303-Q305 PolarHBondContact O-N 3.21Å; A303-V306 PolarHBondContact O-N 2.77Å; A303-E307 WeakPolarHBondContact O-CB 3.3Å; A303-E307 PolarHBondContact O-N 2.87Å
304I92.2Very high90.7Very high3 Ų343.7 Ų43.72%0.01523%0.227CC..Hα-helixtrans-58.7-44.2173.2-67.6171.7000110F288 V300 E302 E307 L308 H365 T366 A369F288-I304 HydrophobicContact CE1-CG1 4.03Å; F288-I304 HydrophobicContact CE2-CG1 4.04Å; F288-I304 HydrophobicContact CZ-CB 4.49Å; F288-I304 HydrophobicContact CZ-CD1 4.35Å; F288-I304 HydrophobicContact CZ-CG1 3.42Å; F288-I304 VanDerWaalsContact CZ-CG1 3.42Å; V300-I304 HydrophobicContact CG1-CD1 4.27Å; V300-I304 WeakPolarHBondContact O-CG1 3.46Å; V300-I304 PolarHBondContact O-N 3.13Å; E302-I304 PolarHBondContact O-N 3.01Å; I304-E307 PolarHBondContact O-N 3.11Å; I304-L308 HydrophobicContact CG2-CD1 3.9Å; I304-L308 HydrophobicContact CG2-CG 4.49Å; I304-L308 WeakPolarHBondContact O-CB 3.37Å; I304-L308 WeakPolarHBondContact O-CG 3.39Å; I304-L308 PolarHBondContact O-N 3.08Å; I304-H365 HydrophobicContact CD1-CB 4.08Å; I304-H365 HydrophobicContact CG1-CB 4.3Å; I304-T366 WeakPolarHBondContact CG2-OG1 3.05Å; I304-A369 HydrophobicContact CD1-CB 3.53Å
305Q89.2Confident90.3Very high36 Ų3647 Ų4717%0.16824%0.235CC..Hα-helixtrans-63.8-44.8179.7-176.6169.23.600112.1A301 E302 A303 E307 L308 E309A301-Q305 PolarHBondContact O-N 3.4Å; E302-Q305 WeakPolarHBondContact O-CB 3.39Å; E302-Q305 PolarHBondContact O-N 2.96Å; A303-Q305 VanDerWaalsContact C-N 3.29Å; A303-Q305 PolarHBondContact O-N 3.21Å; Q305-E307 VanDerWaalsContact C-N 3.31Å; Q305-E307 PolarHBondContact O-N 3.26Å; Q305-L308 WeakPolarHBondContact O-CB 3.3Å; Q305-L308 PolarHBondContact O-N 2.64Å; Q305-E309 PolarHBondContact NE2-OE1 3.45Å; Q305-E309 WeakPolarHBondContact O-CG 3.49Å; Q305-E309 PolarHBondContact O-N 2.93Å
306V92.7Very high89.9Confident78 Ų7850.4 Ų50.447%0.47325%0.249SC..Hα-helixtrans-60.5-41.7175.9172.20000111.2E302 A303 E309 N310E302-V306 WeakPolarHBondContact O-CG2 3.39Å; E302-V306 PolarHBondContact O-N 3.15Å; A303-V306 PolarHBondContact O-N 2.77Å; V306-E309 PolarHBondContact O-N 2.99Å; V306-N310 WeakPolarHBondContact O-CB 3.38Å; V306-N310 PolarHBondContact O-N 3.05Å; V306-N310 PolarHBondContact O-ND2 3.01Å; V306-N310 VanDerWaalsContact O-ND2 3.16Å
307E90.2Very high89.5Confident49 Ų4954.1 Ų54.123%0.22926%0.263CS..Hα-helixtrans-65.1-40.6176.5-83.5-63.6146.100113F288 A303 I304 Q305 N310 Y311 R358 I362F288-E307 HydrophobicContact CD2-CG 4.2Å; F288-E307 HydrophobicContact CE2-CG 4.35Å; A303-E307 WeakPolarHBondContact O-CB 3.3Å; A303-E307 PolarHBondContact O-N 2.87Å; I304-E307 PolarHBondContact O-N 3.11Å; Q305-E307 VanDerWaalsContact C-N 3.31Å; Q305-E307 PolarHBondContact O-N 3.26Å; E307-N310 PolarHBondContact O-N 2.97Å; E307-Y311 WeakPolarHBondContact O-CB 3.05Å; E307-Y311 PolarHBondContact O-N 3.45Å; E307-R358 IonicContact OE1-CZ 3.67Å; E307-R358 IonicContact OE1-NH2 2.63Å; E307-R358 PolarHBondContact OE1-NH2 2.86Å; E307-R358 IonicContact OE2-CZ 3.71Å; E307-R358 IonicContact OE2-NE 3.53Å; E307-R358 PolarHBondContact OE2-NE 3.39Å; E307-R358 IonicContact OE2-NH2 3.07Å; E307-R358 PolarHBondContact OE2-NH2 2.85Å; E307-I362 HydrophobicContact CB-CD1 4.22Å; E307-I362 HydrophobicContact CB-CG1 4.17Å
308L90Very high88.9Confident31 Ų3155.2 Ų55.216%0.16227%0.269CS..Hα-helixtrans-61.6-44.5174.1-83.1164.7000112.3I304 Q305 Y311 R312 I362I304-L308 HydrophobicContact CG2-CD1 3.9Å; I304-L308 HydrophobicContact CG2-CG 4.49Å; I304-L308 WeakPolarHBondContact O-CB 3.37Å; I304-L308 WeakPolarHBondContact O-CG 3.39Å; I304-L308 PolarHBondContact O-N 3.08Å; Q305-L308 WeakPolarHBondContact O-CB 3.3Å; Q305-L308 PolarHBondContact O-N 2.64Å; L308-Y311 PolarHBondContact O-N 2.98Å; L308-R312 WeakPolarHBondContact O-CG 3.18Å; L308-R312 PolarHBondContact O-N 3.01Å; L308-I362 HydrophobicContact CD1-CG2 4.39Å; L308-I362 HydrophobicContact CD2-CG2 3.29Å; L308-I362 HydrophobicContact CG-CG2 3.49Å; L308-I362 VanDerWaalsContact CG-CG2 3.49Å
309E90.7Very high88.4Confident96 Ų9663.2 Ų63.245%0.44930%0.297SS..Hα-helixtrans-63.6-47.1177.2-74175.2-169.400111Q305 V306 Y311 R312 T313Q305-E309 PolarHBondContact NE2-OE1 3.45Å; Q305-E309 WeakPolarHBondContact O-CG 3.49Å; Q305-E309 PolarHBondContact O-N 2.93Å; V306-E309 PolarHBondContact O-N 2.99Å; E309-Y311 VanDerWaalsContact C-N 3.3Å; E309-Y311 PolarHBondContact O-N 2.75Å; E309-R312 PolarHBondContact O-N 2.9Å; E309-T313 PolarHBondContact O-N 3.39Å; E309-T313 PolarHBondContact O-OG1 2.76Å
310N89.3Confident88Confident66 Ų6665.6 Ų65.635%0.35331%0.305SS..Hα-helixtrans-59.3-39.7175.8-73.4-29.6000112.5V306 E307 R314V306-N310 WeakPolarHBondContact O-CB 3.38Å; V306-N310 PolarHBondContact O-N 3.05Å; V306-N310 PolarHBondContact O-ND2 3.01Å; V306-N310 VanDerWaalsContact O-ND2 3.16Å; E307-N310 PolarHBondContact O-N 2.97Å; N310-R314 WeakPolarHBondContact O-CG 3.39Å; N310-R314 PolarHBondContact O-N 2.75Å
311Y88.1Confident87.2Confident24 Ų2468.2 Ų68.29%0.09432%0.318CS..Hα-helixtrans-63.3-48.7175.2171.6-91.5000111.2E307 L308 E309 T313 R314 E315 L355 K359 I362E307-Y311 WeakPolarHBondContact O-CB 3.05Å; E307-Y311 PolarHBondContact O-N 3.45Å; L308-Y311 PolarHBondContact O-N 2.98Å; E309-Y311 VanDerWaalsContact C-N 3.3Å; E309-Y311 PolarHBondContact O-N 2.75Å; Y311-T313 VanDerWaalsContact C-N 3.33Å; Y311-T313 PolarHBondContact O-N 3.17Å; Y311-R314 PolarHBondContact O-N 3Å; Y311-E315 HydrophobicContact CE1-CB 4.26Å; Y311-E315 WeakPolarHBondContact CE1-OE2 3.28Å; Y311-E315 WeakPolarHBondContact O-CB 3.4Å; Y311-E315 PolarHBondContact O-N 3.05Å; Y311-E315 PolarHBondContact OH-OE1 3.09Å; Y311-L355 HydrophobicContact CD2-CD2 4.48Å; Y311-K359 HydrophobicContact CD2-CB 4.29Å; Y311-K359 HydrophobicContact CE1-CG 4.43Å; Y311-K359 HydrophobicContact CE2-CB 3.67Å; Y311-K359 HydrophobicContact CE2-CG 4.17Å; Y311-I362 HydrophobicContact CG-CD1 4.27Å
312R88.6Confident86.5Confident113 Ų11373.1 Ų73.143%0.42634%0.339SS..Hα-helixtrans-59-42.5179.7-75.8175177.2-176.9-1.2112.2L308 E309 R314 E315 E316 S490L308-R312 WeakPolarHBondContact O-CG 3.18Å; L308-R312 PolarHBondContact O-N 3.01Å; E309-R312 PolarHBondContact O-N 2.9Å; R312-R314 PolarHBondContact O-N 3.26Å; R312-E315 PolarHBondContact O-N 3.32Å; R312-E316 WeakPolarHBondContact O-CB 3.32Å; R312-E316 PolarHBondContact O-N 3.49Å; R312-S490 PolarHBondContact NH1-O 3.07Å
313T88.7Confident85.8Confident78 Ų7873 Ų7348%0.47935%0.345SS..Hα-helixtrans-60.5-46.1177.3-56.10000111.4E309 Y311 E316 E317E309-T313 PolarHBondContact O-N 3.39Å; E309-T313 PolarHBondContact O-OG1 2.76Å; Y311-T313 VanDerWaalsContact C-N 3.33Å; Y311-T313 PolarHBondContact O-N 3.17Å; T313-E316 PolarHBondContact O-N 2.93Å; T313-E317 WeakPolarHBondContact O-CG 3.26Å; T313-E317 PolarHBondContact O-N 3.45Å
314R85.6Confident84.8Confident97 Ų9776.7 Ų76.737%0.36638%0.375SS..Hα-helixtrans-68.6-37.6178.8-70.5-177.1-170.1146.96.4113.3N310 Y311 R312 E316 E317 I318 L355N310-R314 WeakPolarHBondContact O-CG 3.39Å; N310-R314 PolarHBondContact O-N 2.75Å; Y311-R314 PolarHBondContact O-N 3Å; R312-R314 PolarHBondContact O-N 3.26Å; R314-E316 VanDerWaalsContact C-N 3.32Å; R314-E317 PolarHBondContact O-N 3.15Å; R314-I318 WeakPolarHBondContact O-CG1 3.24Å; R314-I318 PolarHBondContact O-N 2.89Å; R314-L355 HydrophobicContact CB-CD2 4.25Å
315E84.7Confident83.3Confident93 Ų9379.4 Ų79.444%0.43539%0.388SS..Hα-helixtrans-61.9-43174.7-177.2175-134.800110.7Y311 R312 I318 R319Y311-E315 HydrophobicContact CE1-CB 4.26Å; Y311-E315 WeakPolarHBondContact CE1-OE2 3.28Å; Y311-E315 WeakPolarHBondContact O-CB 3.4Å; Y311-E315 PolarHBondContact O-N 3.05Å; Y311-E315 PolarHBondContact OH-OE1 3.09Å; R312-E315 PolarHBondContact O-N 3.32Å; E315-I318 PolarHBondContact O-N 3.08Å; E315-R319 WeakPolarHBondContact O-CB 3.28Å; E315-R319 PolarHBondContact O-N 3.49Å
316E86.7Confident82Confident101 Ų10180.3 Ų80.347%0.47241%0.408SS..Hα-helixtrans-67.8-38176.9-166.1177.2156.700112.4R312 T313 R314 R319 K320R312-E316 WeakPolarHBondContact O-CB 3.32Å; R312-E316 PolarHBondContact O-N 3.49Å; T313-E316 PolarHBondContact O-N 2.93Å; R314-E316 VanDerWaalsContact C-N 3.32Å; E316-R319 PolarHBondContact O-N 3.34Å; E316-K320 HydrophobicContact CG-CD 4.32Å; E316-K320 WeakPolarHBondContact O-CB 3.28Å; E316-K320 VanDerWaalsContact O-CG 3.28Å; E316-K320 WeakPolarHBondContact O-CG 3.17Å; E316-K320 PolarHBondContact O-N 2.91Å; E316-K320 WeakPolarHBondContact OE1-CE 3.45Å; E316-K320 IonicContact OE1-NZ 2.71Å; E316-K320 PolarHBondContact OE1-NZ 3.33Å
317E83.5Confident80.5Confident112 Ų11280 Ų8052%0.52340%0.403SS..Hα-helixtrans-59.1-47.3172.1-75.4170.9-179.600111.6T313 R314 R319 K320 L321T313-E317 WeakPolarHBondContact O-CG 3.26Å; T313-E317 PolarHBondContact O-N 3.45Å; R314-E317 PolarHBondContact O-N 3.15Å; E317-R319 PolarHBondContact O-N 2.88Å; E317-K320 PolarHBondContact O-N 3.39Å; E317-L321 WeakPolarHBondContact O-CB 3.41Å; E317-L321 PolarHBondContact O-N 3.09Å
318I79.8Confident78.7Confident27 Ų2783.6 Ų83.614%0.13842%0.419CS..Hα-helixtrans-65.9-39.4177.1-70.4174.5000111.3R314 E315 L321 K322 L355R314-I318 WeakPolarHBondContact O-CG1 3.24Å; R314-I318 PolarHBondContact O-N 2.89Å; E315-I318 PolarHBondContact O-N 3.08Å; I318-L321 PolarHBondContact O-N 3.21Å; I318-K322 WeakPolarHBondContact O-CG 3.48Å; I318-K322 PolarHBondContact O-N 3.35Å; I318-L355 HydrophobicContact CD1-CD1 3.09Å; I318-L355 HydrophobicContact CG1-CD1 4.49Å
319R80.8Confident76.6Confident178 Ų17889.8 Ų89.867%0.67245%0.453SS*.Hα-helixtrans-63.5-43.9176.4-161.7-177.9100.7170.56.6111.1E315 E316 E317 L321 K322 S323E315-R319 WeakPolarHBondContact O-CB 3.28Å; E315-R319 PolarHBondContact O-N 3.49Å; E316-R319 PolarHBondContact O-N 3.34Å; E317-R319 PolarHBondContact O-N 2.88Å; R319-L321 VanDerWaalsContact C-N 3.32Å; R319-L321 PolarHBondContact O-N 3.05Å; R319-K322 PolarHBondContact O-N 3.47Å; R319-S323 WeakPolarHBondContact O-CB 3.27Å; R319-S323 PolarHBondContact O-N 3.35Å
320K83.4Confident74.3Confident122 Ų12291.3 Ų91.353%0.5346%0.46SS..Hα-helixtrans-61.1-40.9173.8-76.7170.6-178160.70111.4E316 E317 S323 A324E316-K320 HydrophobicContact CG-CD 4.32Å; E316-K320 WeakPolarHBondContact O-CB 3.28Å; E316-K320 VanDerWaalsContact O-CG 3.28Å; E316-K320 WeakPolarHBondContact O-CG 3.17Å; E316-K320 PolarHBondContact O-N 2.91Å; E316-K320 WeakPolarHBondContact OE1-CE 3.45Å; E316-K320 IonicContact OE1-NZ 2.71Å; E316-K320 PolarHBondContact OE1-NZ 3.33Å; E317-K320 PolarHBondContact O-N 3.39Å; K320-S323 PolarHBondContact O-N 2.84Å; K320-A324 VanDerWaalsContact O-CB 3.27Å; K320-A324 WeakPolarHBondContact O-CB 3.49Å; K320-A324 PolarHBondContact O-N 3.15Å
321L75.1Confident72.1Confident54 Ų5493.9 Ų93.928%0.28348%0.478SS..Hα-helixtrans-64.1-44.7177.1-141.4113.4000111.4E317 I318 R319 S323 M325 E344 A348E317-L321 WeakPolarHBondContact O-CB 3.41Å; E317-L321 PolarHBondContact O-N 3.09Å; I318-L321 PolarHBondContact O-N 3.21Å; R319-L321 VanDerWaalsContact C-N 3.32Å; R319-L321 PolarHBondContact O-N 3.05Å; L321-S323 PolarHBondContact O-N 3.37Å; L321-M325 HydrophobicContact CD2-SD 4.45Å; L321-M325 VanDerWaalsContact O-CG 3.27Å; L321-M325 WeakPolarHBondContact O-CG 3.45Å; L321-M325 PolarHBondContact O-N 3.21Å; L321-E344 HydrophobicContact CD2-CB 4.28Å; L321-A348 HydrophobicContact CD2-CB 4.5Å
322K72.3Confident70.2Confident105 Ų105100.7 Ų100.746%0.45752%0.516SS..Hα-helixtrans-60.4-44.5173.7-76.6-172.3175.5-167.60112.3I318 R319 M325 G326 L327I318-K322 WeakPolarHBondContact O-CG 3.48Å; I318-K322 PolarHBondContact O-N 3.35Å; R319-K322 PolarHBondContact O-N 3.47Å; K322-M325 PolarHBondContact O-N 2.87Å; K322-G326 PolarHBondContact O-N 3.46Å; K322-L327 PolarHBondContact O-N 2.92Å
323S76Confident68Low55 Ų55103.7 Ų103.739%0.38554%0.535SS..Hα-helixtrans-64.6-46.8-179.8-163.70000112.3R319 K320 L321 M325 G326 E328R319-S323 WeakPolarHBondContact O-CB 3.27Å; R319-S323 PolarHBondContact O-N 3.35Å; K320-S323 PolarHBondContact O-N 2.84Å; L321-S323 PolarHBondContact O-N 3.37Å; S323-M325 PolarHBondContact O-N 2.97Å; S323-M325 VanDerWaalsContact O-N 3.08Å; S323-G326 PolarHBondContact O-N 3.01Å; S323-E328 WeakPolarHBondContact CA-OE1 3.47Å; S323-E328 WeakPolarHBondContact CB-OE1 3.25Å; S323-E328 PolarHBondContact OG-OE1 3.02Å
324A73.8Confident66.1Low92 Ų92103 Ų10376%0.7653%0.531SS*.Hα-helixtrans-61.6-19.9178.500000113.4K320K320-A324 VanDerWaalsContact O-CB 3.27Å; K320-A324 WeakPolarHBondContact O-CB 3.49Å; K320-A324 PolarHBondContact O-N 3.15Å
325M60.9Low64.4Low60 Ų60104 Ų10430%0.29655%0.548SS..THydrogen-bonded Turntrans-99.52.7179.2-63.5-172.176.700113.7L321 K322 S323 L327 L345L321-M325 HydrophobicContact CD2-SD 4.45Å; L321-M325 VanDerWaalsContact O-CG 3.27Å; L321-M325 WeakPolarHBondContact O-CG 3.45Å; L321-M325 PolarHBondContact O-N 3.21Å; K322-M325 PolarHBondContact O-N 2.87Å; S323-M325 PolarHBondContact O-N 2.97Å; S323-M325 VanDerWaalsContact O-N 3.08Å; M325-L327 VanDerWaalsContact C-N 3.29Å; M325-L327 HydrophobicContact CB-CD1 4.03Å; M325-L327 HydrophobicContact CB-CG 4.47Å; M325-L327 PolarHBondContact O-N 3.43Å; M325-L345 HydrophobicContact CE-CD1 3.19Å; M325-L345 HydrophobicContact CE-CG 3.79Å; M325-L345 HydrophobicContact SD-CD1 3.62Å; M325-L345 HydrophobicContact SD-CD2 4.17Å; M325-L345 HydrophobicContact SD-CG 3.54Å; M325-L345 VanDerWaalsContact SD-CG 3.54Å
326G62.1Low62.7Low56 Ų56104.8 Ų104.858%0.57756%0.563SS**THydrogen-bonded Turntrans71.618.1176.300000114.9K322 S323 E328K322-G326 PolarHBondContact O-N 3.46Å; S323-G326 PolarHBondContact O-N 3.01Å; G326-E328 VanDerWaalsContact C-N 3.25Å; G326-E328 PolarHBondContact O-N 3.03Å
327L60.3Low60.7Low71 Ų71107.9 Ų107.937%0.37258%0.58SS.*THydrogen-bonded Turntrans-84.614.9-177.6-75.8158.4000113.8K322 M325 L345K322-L327 PolarHBondContact O-N 2.92Å; M325-L327 VanDerWaalsContact C-N 3.29Å; M325-L327 HydrophobicContact CB-CD1 4.03Å; M325-L327 HydrophobicContact CB-CG 4.47Å; M325-L327 PolarHBondContact O-N 3.43Å; L327-L345 HydrophobicContact CD1-CD1 4.4Å; L327-L345 HydrophobicContact CD1-CD2 4.21Å
328E52.1Low58.9Low124 Ų124107.5 Ų107.558%0.57958%0.581SS**THydrogen-bonded Turntrans-78.8-17.6-176.5-70.2-174.717400113.5S323 G326S323-E328 WeakPolarHBondContact CA-OE1 3.47Å; S323-E328 WeakPolarHBondContact CB-OE1 3.25Å; S323-E328 PolarHBondContact OG-OE1 3.02Å; G326-E328 VanDerWaalsContact C-N 3.25Å; G326-E328 PolarHBondContact O-N 3.03Å
329D46.6Very low57.5Low162 Ų162111.7 Ų111.787%0.86661%0.608SS**SBendtrans-1288-168.8-97.6-22.3000116.5
330E42.7Very low56.1Low127 Ų127112.2 Ų112.259%0.59362%0.618SS**  trans-114.6126.1-175.3-68.1-160.7154.800114.9T334E330-T334 VanDerWaalsContact OE2-CB 3.32Å; E330-T334 WeakPolarHBondContact OE2-CB 3.25Å; E330-T334 VanDerWaalsContact OE2-CG2 3.27Å; E330-T334 WeakPolarHBondContact OE2-CG2 3.31Å; E330-T334 PolarHBondContact OE2-OG1 3.16Å
331T42.4Very low54.6Low120 Ų120110 Ų11074%0.73662%0.617SS**  trans-53.9152.716844.50000112.5E333T331-E333 PolarHBondContact O-N 3.32Å
332D47.6Very low53.8Low167 Ų167110.2 Ų110.289%0.89362%0.621SS**THydrogen-bonded Turntrans-40.11.2-174.3-93-28.5000120.2
333E43.7Very low53.2Low176 Ų176109 Ų10982%0.82263%0.631SS**THydrogen-bonded Turntrans-103-6.8-170.9-74.3-171.4151.700116.5T331T331-E333 PolarHBondContact O-N 3.32Å
334T48.2Very low52.5Low65 Ų65112.9 Ų112.940%0.39964%0.643SS.*  trans-99.317.7-176.654.80000115.9E330 S336E330-T334 VanDerWaalsContact OE2-CB 3.32Å; E330-T334 WeakPolarHBondContact OE2-CB 3.25Å; E330-T334 VanDerWaalsContact OE2-CG2 3.27Å; E330-T334 WeakPolarHBondContact OE2-CG2 3.31Å; E330-T334 PolarHBondContact OE2-OG1 3.16Å; T334-S336 VanDerWaalsContact C-N 3.26Å; T334-S336 PolarHBondContact O-N 2.86Å
335V50.8Low51.6Low117 Ų117110.4 Ų110.471%0.70962%0.616SS**THydrogen-bonded Turntrans-74.5-9.8179.31800000113.5
336S47.6Very low51.9Low109 Ų109110.3 Ų110.376%0.76262%0.62SS**THydrogen-bonded Turntrans-88.4-6.9-171.6-173.60000116.4T334T334-S336 VanDerWaalsContact C-N 3.26Å; T334-S336 PolarHBondContact O-N 2.86Å
337M44.4Very low52.2Low167 Ų167111.4 Ų111.482%0.82362%0.618SS**SBendtrans-117.34.7-163.5-78.9-86.8-71.900116.4
338L46.5Very low52.5Low103 Ų103108.8 Ų108.854%0.53961%0.607SS.*  trans-117.585.8-177.5-65.1170.7000110.4T342L338-T342 WeakPolarHBondContact O-CG2 3.47Å
339T51.3Low53.2Low115 Ų115109.3 Ų109.371%0.70661%0.611SS**  trans-90-10-178.742.70000114.9T342T339-T342 PolarHBondContact O-OG1 2.84Å; T339-T342 VanDerWaalsContact O-OG1 3.06Å
340E50.6Low54.4Low189 Ų189110.9 Ų110.988%0.88361%0.605SS**SBendtrans-113.8-8.1-171.3-69.9-174.8165.200116.3
341S51.2Low56.1Low75 Ų75106.3 Ų106.352%0.52459%0.587SS.*SBendtrans-10520.8169.9-54.10000113
342T58Low57.9Low59 Ų59104.1 Ų104.136%0.36257%0.57SS.*Hα-helixtrans-78-22.1-161.239.80000115.6L338 T339 T346L338-T342 WeakPolarHBondContact O-CG2 3.47Å; T339-T342 PolarHBondContact O-OG1 2.84Å; T339-T342 VanDerWaalsContact O-OG1 3.06Å; T342-T346 WeakPolarHBondContact O-CB 3.27Å; T342-T346 PolarHBondContact O-N 2.7Å; T342-T346 PolarHBondContact O-OG1 3Å
343A60.8Low59.6Low79 Ų79100.1 Ų100.165%0.65355%0.553SS**Hα-helixtrans-67.6-47-172.900000112.8S347A343-S347 WeakPolarHBondContact O-CB 3.42Å; A343-S347 PolarHBondContact O-N 3.02Å
344E60.8Low61.5Low138 Ų13897.8 Ų97.865%0.64554%0.542SS*.Hα-helixtrans-72.8-38.5-179.5-66.6-176.5175.600111.8L321 S347 A348L321-E344 HydrophobicContact CD2-CB 4.28Å; E344-S347 WeakPolarHBondContact O-CB 3.32Å; E344-S347 PolarHBondContact O-N 3.2Å; E344-A348 WeakPolarHBondContact O-CB 3.42Å; E344-A348 PolarHBondContact O-N 2.92Å
345L56Low63.3Low39 Ų3995.6 Ų95.620%0.20453%0.528CS..Hα-helixtrans-64.5-43.5173.2-99.6175.3000112.7M325 L327 S347 A348 M349M325-L345 HydrophobicContact CE-CD1 3.19Å; M325-L345 HydrophobicContact CE-CG 3.79Å; M325-L345 HydrophobicContact SD-CD1 3.62Å; M325-L345 HydrophobicContact SD-CD2 4.17Å; M325-L345 HydrophobicContact SD-CG 3.54Å; M325-L345 VanDerWaalsContact SD-CG 3.54Å; L327-L345 HydrophobicContact CD1-CD1 4.4Å; L327-L345 HydrophobicContact CD1-CD2 4.21Å; L345-S347 VanDerWaalsContact C-N 3.27Å; L345-S347 PolarHBondContact O-N 2.53Å; L345-A348 PolarHBondContact O-N 3.45Å; L345-M349 WeakPolarHBondContact O-CB 3.49Å; L345-M349 PolarHBondContact O-N 3.34Å
346T65.6Low65Low59 Ų5995 Ų9536%0.36252%0.521SS..Hα-helixtrans-64.5-37.4177.2-570000110.4T342 R350T342-T346 WeakPolarHBondContact O-CB 3.27Å; T342-T346 PolarHBondContact O-N 2.7Å; T342-T346 PolarHBondContact O-OG1 3Å; T346-R350 WeakPolarHBondContact O-CB 3.42Å; T346-R350 WeakPolarHBondContact O-CG 3.29Å; T346-R350 PolarHBondContact O-N 3.15Å
347S69.3Low66.8Low78 Ų7893.9 Ų93.955%0.54550%0.503SS..Hα-helixtrans-63.6-47.2173.3-172.60000111.8A343 E344 L345 R350 S351A343-S347 WeakPolarHBondContact O-CB 3.42Å; A343-S347 PolarHBondContact O-N 3.02Å; E344-S347 WeakPolarHBondContact O-CB 3.32Å; E344-S347 PolarHBondContact O-N 3.2Å; L345-S347 VanDerWaalsContact C-N 3.27Å; L345-S347 PolarHBondContact O-N 2.53Å; S347-R350 PolarHBondContact O-N 2.8Å; S347-S351 PolarHBondContact O-N 2.95Å; S347-S351 PolarHBondContact O-OG 3.26Å
348A66.2Low68.9Low17 Ų1788.8 Ų88.814%0.1448%0.475CS..Hα-helixtrans-65.9-38.3178.500000113.1L321 E344 L345 R350 S351 L352L321-A348 HydrophobicContact CD2-CB 4.5Å; E344-A348 WeakPolarHBondContact O-CB 3.42Å; E344-A348 PolarHBondContact O-N 2.92Å; L345-A348 PolarHBondContact O-N 3.45Å; A348-R350 VanDerWaalsContact C-N 3.34Å; A348-S351 PolarHBondContact O-N 3.2Å; A348-S351 PolarHBondContact O-OG 3.35Å; A348-S351 VanDerWaalsContact O-OG 3.04Å; A348-L352 PolarHBondContact O-N 2.86Å; A348-L352 VanDerWaalsContact O-N 3.17Å
349M66.5Low71Confident134 Ų13487.9 Ų87.966%0.6647%0.467SS*.Hα-helixtrans-66.2-36.6173.5-84.7-173.4137.500111.9L345 P353L345-M349 WeakPolarHBondContact O-CB 3.49Å; L345-M349 PolarHBondContact O-N 3.34Å; M349-P353 WeakPolarHBondContact O-CD 3.22Å
350R72.7Confident72.9Confident195 Ų19587.3 Ų87.374%0.73645%0.451SS*.Hα-helixtrans-70-30.3175.5-76.3174.5-178.3-175.61.7113T346 S347 A348T346-R350 WeakPolarHBondContact O-CB 3.42Å; T346-R350 WeakPolarHBondContact O-CG 3.29Å; T346-R350 PolarHBondContact O-N 3.15Å; S347-R350 PolarHBondContact O-N 2.8Å; A348-R350 VanDerWaalsContact C-N 3.34Å
351S78.7Confident74.9Confident32 Ų3279.6 Ų79.622%0.22442%0.416CS..Hα-helixtrans-84.9-16.2179.7670000113.7S347 A348 E354 L355S347-S351 PolarHBondContact O-N 2.95Å; S347-S351 PolarHBondContact O-OG 3.26Å; A348-S351 PolarHBondContact O-N 3.2Å; A348-S351 PolarHBondContact O-OG 3.35Å; A348-S351 VanDerWaalsContact O-OG 3.04Å; S351-E354 WeakPolarHBondContact O-CB 3.36Å; S351-E354 PolarHBondContact O-N 3.42Å; S351-E354 VanDerWaalsContact O-N 3.14Å; S351-L355 WeakPolarHBondContact O-CG 3.44Å; S351-L355 PolarHBondContact O-N 2.89Å
352L78.7Confident76.8Confident73 Ų7376.6 Ų76.638%0.38239%0.394SS..Hα-helixtrans-58.7-46.1-178.1-154.198.3000113.5A348 E354 L355 L356A348-L352 PolarHBondContact O-N 2.86Å; A348-L352 VanDerWaalsContact O-N 3.17Å; L352-E354 VanDerWaalsContact C-N 3.31Å; L352-E354 PolarHBondContact O-N 2.93Å; L352-L355 PolarHBondContact O-N 3.24Å; L352-L356 HydrophobicContact CD2-CD1 4.44Å; L352-L356 WeakPolarHBondContact O-CG 3.24Å; L352-L356 PolarHBondContact O-N 3.49Å
353P84.1Confident78.4Confident83 Ų8377.2 Ų77.254%0.53940%0.395SS..Hα-helixtrans-62.4-37.9175.4-22.334.8000112.6M349 L355 L356 E357M349-P353 WeakPolarHBondContact O-CD 3.22Å; P353-L355 VanDerWaalsContact C-N 3.34Å; P353-L356 PolarHBondContact O-N 2.64Å; P353-E357 PolarHBondContact O-N 3.33Å
354E84.3Confident80.1Confident127 Ų12773.8 Ų73.859%0.59337%0.366SS*.Hα-helixtrans-65.2-39.1176.5-173.2-179.4179.100111.3S351 L352 E357 R358S351-E354 WeakPolarHBondContact O-CB 3.36Å; S351-E354 PolarHBondContact O-N 3.42Å; S351-E354 VanDerWaalsContact O-N 3.14Å; L352-E354 VanDerWaalsContact C-N 3.31Å; L352-E354 PolarHBondContact O-N 2.93Å; E354-E357 PolarHBondContact O-N 2.96Å; E354-R358 WeakPolarHBondContact O-CB 3.27Å; E354-R358 PolarHBondContact O-N 2.99Å
355L84.8Confident81.7Confident20 Ų2067.3 Ų67.311%0.10534%0.336CS..Hα-helixtrans-69.5-39.1176.2-75.6173.4000112.9Y311 R314 I318 S351 L352 P353 E357 R358 K359Y311-L355 HydrophobicContact CD2-CD2 4.48Å; R314-L355 HydrophobicContact CB-CD2 4.25Å; I318-L355 HydrophobicContact CD1-CD1 3.09Å; I318-L355 HydrophobicContact CG1-CD1 4.49Å; S351-L355 WeakPolarHBondContact O-CG 3.44Å; S351-L355 PolarHBondContact O-N 2.89Å; L352-L355 PolarHBondContact O-N 3.24Å; P353-L355 VanDerWaalsContact C-N 3.34Å; L355-E357 VanDerWaalsContact C-N 3.34Å; L355-R358 PolarHBondContact O-N 2.63Å; L355-K359 WeakPolarHBondContact O-CB 3.41Å; L355-K359 PolarHBondContact O-N 3.35Å
356L86.7Confident83.5Confident104 Ų10466.7 Ų66.755%0.54533%0.334SS..Hα-helixtrans-63.4-42.5174.2-72.6173.9000111.2L352 P353 K359 R360L352-L356 HydrophobicContact CD2-CD1 4.44Å; L352-L356 WeakPolarHBondContact O-CG 3.24Å; L352-L356 PolarHBondContact O-N 3.49Å; P353-L356 PolarHBondContact O-N 2.64Å; L356-K359 PolarHBondContact O-N 3.03Å; L356-R360 PolarHBondContact O-N 3.47Å
357E86.2Confident84.9Confident85 Ų8567.1 Ų67.140%0.39733%0.334SS..Hα-helixtrans-65.8-42.3175.3-177.456.3-159.400111.3P353 E354 L355 K359 R360 L361P353-E357 PolarHBondContact O-N 3.33Å; E354-E357 PolarHBondContact O-N 2.96Å; L355-E357 VanDerWaalsContact C-N 3.34Å; E357-K359 VanDerWaalsContact C-N 3.32Å; E357-K359 PolarHBondContact O-N 2.97Å; E357-R360 WeakPolarHBondContact O-CB 3.44Å; E357-R360 PolarHBondContact O-N 3.16Å; E357-R360 VanDerWaalsContact O-N 3.16Å; E357-R360 IonicContact OE1-CZ 3.82Å; E357-R360 IonicContact OE1-NE 3.76Å; E357-R360 PolarHBondContact OE1-NE 2.94Å; E357-R360 IonicContact OE1-NH2 2.81Å; E357-R360 PolarHBondContact OE1-NH2 3.02Å; E357-R360 IonicContact OE2-NE 3.64Å; E357-R360 PolarHBondContact OE2-NE 3.16Å; E357-L361 WeakPolarHBondContact O-CG 3.37Å; E357-L361 PolarHBondContact O-N 2.87Å
358R88Confident86.1Confident61 Ų6163.4 Ų63.423%0.2331%0.308CS..Hα-helixtrans-60.1-43.1175-169.1176.5-170.5131.7-5.6111.5E307 E354 L355 R360 L361 I362E307-R358 IonicContact OE1-CZ 3.67Å; E307-R358 IonicContact OE1-NH2 2.63Å; E307-R358 PolarHBondContact OE1-NH2 2.86Å; E307-R358 IonicContact OE2-CZ 3.71Å; E307-R358 IonicContact OE2-NE 3.53Å; E307-R358 PolarHBondContact OE2-NE 3.39Å; E307-R358 IonicContact OE2-NH2 3.07Å; E307-R358 PolarHBondContact OE2-NH2 2.85Å; E354-R358 WeakPolarHBondContact O-CB 3.27Å; E354-R358 PolarHBondContact O-N 2.99Å; L355-R358 PolarHBondContact O-N 2.63Å; R358-R360 VanDerWaalsContact C-N 3.35Å; R358-L361 PolarHBondContact O-N 3.46Å; R358-I362 HydrophobicContact CG-CD1 4.07Å; R358-I362 VanDerWaalsContact O-CG1 3.26Å; R358-I362 WeakPolarHBondContact O-CG1 3.44Å; R358-I362 PolarHBondContact O-N 3.26Å
359K89.9Confident87.4Confident83 Ų8362.6 Ų62.636%0.36130%0.301SS..Hα-helixtrans-58.9-46.8174.1-172.4-169.6176.4177.10111Y311 L355 L356 E357 L361 I362 D363Y311-K359 HydrophobicContact CD2-CB 4.29Å; Y311-K359 HydrophobicContact CE1-CG 4.43Å; Y311-K359 HydrophobicContact CE2-CB 3.67Å; Y311-K359 HydrophobicContact CE2-CG 4.17Å; L355-K359 WeakPolarHBondContact O-CB 3.41Å; L355-K359 PolarHBondContact O-N 3.35Å; L356-K359 PolarHBondContact O-N 3.03Å; E357-K359 VanDerWaalsContact C-N 3.32Å; E357-K359 PolarHBondContact O-N 2.97Å; K359-L361 VanDerWaalsContact C-N 3.32Å; K359-L361 PolarHBondContact O-N 2.87Å; K359-I362 PolarHBondContact O-N 2.78Å; K359-I362 VanDerWaalsContact O-N 3.16Å; K359-D363 PolarHBondContact O-N 3.48Å
360R91.5Very high88.7Confident103 Ų10359.1 Ų59.139%0.38929%0.288SS..Hα-helixtrans-56.8-44.9178-168.5-164.471.676.90.6111.7L356 E357 R358 D363 L364L356-R360 PolarHBondContact O-N 3.47Å; E357-R360 WeakPolarHBondContact O-CB 3.44Å; E357-R360 PolarHBondContact O-N 3.16Å; E357-R360 VanDerWaalsContact O-N 3.16Å; E357-R360 IonicContact OE1-CZ 3.82Å; E357-R360 IonicContact OE1-NE 3.76Å; E357-R360 PolarHBondContact OE1-NE 2.94Å; E357-R360 IonicContact OE1-NH2 2.81Å; E357-R360 PolarHBondContact OE1-NH2 3.02Å; E357-R360 IonicContact OE2-NE 3.64Å; E357-R360 PolarHBondContact OE2-NE 3.16Å; R358-R360 VanDerWaalsContact C-N 3.35Å; R360-D363 PolarHBondContact O-N 3.49Å; R360-L364 VanDerWaalsContact O-CB 3.3Å; R360-L364 WeakPolarHBondContact O-CB 3.29Å; R360-L364 PolarHBondContact O-N 3.38Å
361L92.4Very high89.7Confident28 Ų2850.3 Ų50.315%0.14726%0.256CS..Hα-helixtrans-65.6-40.6176.9-66.7179.1000112.3D286 E357 R358 K359 L364 H365D286-L361 HydrophobicContact CB-CD2 4.39Å; D286-L361 WeakPolarHBondContact OD2-CD2 3.44Å; E357-L361 WeakPolarHBondContact O-CG 3.37Å; E357-L361 PolarHBondContact O-N 2.87Å; R358-L361 PolarHBondContact O-N 3.46Å; K359-L361 VanDerWaalsContact C-N 3.32Å; K359-L361 PolarHBondContact O-N 2.87Å; L361-L364 HydrophobicContact CD2-CD2 4.27Å; L361-L364 WeakPolarHBondContact O-CB 3.27Å; L361-L364 PolarHBondContact O-N 3.24Å; L361-H365 PolarHBondContact O-CD2 2.85Å; L361-H365 PolarHBondContact O-N 2.84Å
362I92Very high90.4Very high11 Ų1148.8 Ų48.86%0.05625%0.245CC..Hα-helixtrans-62.5-47.6175.4-70.4166.4000110.5E307 L308 Y311 R358 K359 L364 H365 T366E307-I362 HydrophobicContact CB-CD1 4.22Å; E307-I362 HydrophobicContact CB-CG1 4.17Å; L308-I362 HydrophobicContact CD1-CG2 4.39Å; L308-I362 HydrophobicContact CD2-CG2 3.29Å; L308-I362 HydrophobicContact CG-CG2 3.49Å; L308-I362 VanDerWaalsContact CG-CG2 3.49Å; Y311-I362 HydrophobicContact CG-CD1 4.27Å; R358-I362 HydrophobicContact CG-CD1 4.07Å; R358-I362 VanDerWaalsContact O-CG1 3.26Å; R358-I362 WeakPolarHBondContact O-CG1 3.44Å; R358-I362 PolarHBondContact O-N 3.26Å; K359-I362 PolarHBondContact O-N 2.78Å; K359-I362 VanDerWaalsContact O-N 3.16Å; I362-L364 VanDerWaalsContact C-N 3.33Å; I362-L364 PolarHBondContact O-N 2.97Å; I362-H365 PolarHBondContact O-N 3.04Å; I362-T366 VanDerWaalsContact O-CB 3.25Å; I362-T366 WeakPolarHBondContact O-CB 3.36Å; I362-T366 PolarHBondContact O-N 2.92Å; I362-T366 PolarHBondContact O-OG1 3.03Å
363D92.4Very high91.1Very high73 Ų7346 Ų4639%0.3923%0.231SC..Hα-helixtrans-61.8-42.3178.5-70.7-23000110.8K359 R360 T366 N367K359-D363 PolarHBondContact O-N 3.48Å; R360-D363 PolarHBondContact O-N 3.49Å; D363-T366 PolarHBondContact O-N 2.9Å; D363-N367 PolarHBondContact O-N 2.73Å; D363-N367 PolarHBondContact O-ND2 3.22Å
364L94.5Very high91.6Very high7 Ų747.7 Ų47.74%0.03723%0.232CC..Hα-helixtrans-53.5-57.8173.6168.368.4000111.6F280 R360 L361 I362 T366 N367 I368F280-L364 HydrophobicContact CB-CD1 3.5Å; F280-L364 VanDerWaalsContact CB-CD1 3.5Å; F280-L364 HydrophobicContact CD1-CD1 3.45Å; F280-L364 VanDerWaalsContact CD1-CD1 3.45Å; F280-L364 HydrophobicContact CE1-CD1 4.48Å; F280-L364 HydrophobicContact CG-CD1 3.81Å; R360-L364 VanDerWaalsContact O-CB 3.3Å; R360-L364 WeakPolarHBondContact O-CB 3.29Å; R360-L364 PolarHBondContact O-N 3.38Å; L361-L364 HydrophobicContact CD2-CD2 4.27Å; L361-L364 WeakPolarHBondContact O-CB 3.27Å; L361-L364 PolarHBondContact O-N 3.24Å; I362-L364 VanDerWaalsContact C-N 3.33Å; I362-L364 PolarHBondContact O-N 2.97Å; L364-T366 VanDerWaalsContact C-N 3.34Å; L364-T366 PolarHBondContact O-N 3.13Å; L364-N367 PolarHBondContact O-N 2.97Å; L364-I368 HydrophobicContact CD1-CD1 3.74Å; L364-I368 HydrophobicContact CD1-CG1 4.49Å; L364-I368 HydrophobicContact CG-CD1 4.12Å; L364-I368 WeakPolarHBondContact O-CG1 3.43Å; L364-I368 PolarHBondContact O-N 3.06Å; L364-I368 VanDerWaalsContact O-N 3.07Å
365H95.5Very high92Very high1 Ų144.6 Ų44.61%0.00522%0.217CC..Hα-helixtrans-69.8-31.5-177.4-71.2-60.1000113.1Y253 D286 F288 W289 I304 L361 I362 A369Y253-H365 AromaticContact CE1-ND1 3.76Å; Y253-H365 AromaticContact CZ-ND1 3.87Å; Y253-H365 PolarHBondContact OH-ND1 3.46Å; D286-H365 IonicContact OD1-NE2 3.63Å; D286-H365 PolarHBondContact OD1-NE2 3.11Å; D286-H365 IonicContact OD2-CD2 3.28Å; D286-H365 IonicContact OD2-CE1 3.81Å; D286-H365 IonicContact OD2-NE2 3.24Å; D286-H365 PolarHBondContact OD2-NE2 3.07Å; F288-H365 HydrophobicContact CD1-CB 4.01Å; F288-H365 AromaticContact CD1-CD2 3.14Å; F288-H365 WeakPolarHBondContact CD1-CD2 3.41Å; F288-H365 AromaticContact CD1-CE1 3.75Å; F288-H365 AromaticContact CD1-CG 3.34Å; F288-H365 AromaticContact CD1-ND1 3.7Å; F288-H365 AromaticContact CD1-NE2 3.38Å; F288-H365 WeakPolarHBondContact CD1-NE2 3.5Å; F288-H365 HydrophobicContact CE1-CB 3.97Å; F288-H365 AromaticContact CE1-CD2 3.98Å; F288-H365 AromaticContact CE1-CG 3.73Å; F288-H365 AromaticContact CG-CD2 3.54Å; F288-H365 AromaticContact CG-NE2 3.87Å; W289-H365 AromaticContact CE3-CE1 3.87Å; I304-H365 HydrophobicContact CD1-CB 4.08Å; I304-H365 HydrophobicContact CG1-CB 4.3Å; L361-H365 PolarHBondContact O-CD2 2.85Å; L361-H365 PolarHBondContact O-N 2.84Å; I362-H365 PolarHBondContact O-N 3.04Å; H365-A369 WeakPolarHBondContact O-CB 3.48Å; H365-A369 PolarHBondContact O-N 3.36Å
366T93.9Very high92.5Very high27 Ų2743.7 Ų43.717%0.16621%0.212CC..Hα-helixtrans-61.2-47173.3-59.60000110.5I304 I362 D363 L364 T370 F493I304-T366 WeakPolarHBondContact CG2-OG1 3.05Å; I362-T366 VanDerWaalsContact O-CB 3.25Å; I362-T366 WeakPolarHBondContact O-CB 3.36Å; I362-T366 PolarHBondContact O-N 2.92Å; I362-T366 PolarHBondContact O-OG1 3.03Å; D363-T366 PolarHBondContact O-N 2.9Å; L364-T366 VanDerWaalsContact C-N 3.34Å; L364-T366 PolarHBondContact O-N 3.13Å; T366-T370 WeakPolarHBondContact O-CB 3.28Å; T366-T370 PolarHBondContact O-N 2.66Å; T366-T370 PolarHBondContact O-OG1 3.29Å; T366-F493 HydrophobicContact CG2-CD2 3.92Å; T366-F493 HydrophobicContact CG2-CE2 3.71Å
367N93.8Very high92.8Very high67 Ų6743 Ų4336%0.35821%0.205SC..Hα-helixtrans-64-47.5178.2-72.9-44.8000111.9F280 D363 L364 T370 A371F280-N367 HydrophobicContact CE1-CB 4.1Å; F280-N367 HydrophobicContact CE2-CB 4.25Å; F280-N367 HydrophobicContact CZ-CB 3.7Å; D363-N367 PolarHBondContact O-N 2.73Å; D363-N367 PolarHBondContact O-ND2 3.22Å; L364-N367 PolarHBondContact O-N 2.97Å; N367-T370 PolarHBondContact O-N 3.19Å; N367-A371 PolarHBondContact O-N 3.21Å
368I95.3Very high93.1Very high0 Ų043.7 Ų43.70%022%0.215CC..Hα-helixtrans-60.7-49.5178-65.6169.1000110.8Y253 V257 L261 V268 I270 F280 V282 L364 T370 A371 V372Y253-I368 HydrophobicContact CE2-CG2 3.97Å; Y253-I368 WeakPolarHBondContact OH-CG2 3.26Å; V257-I368 HydrophobicContact CG1-CG2 4.36Å; V257-I368 HydrophobicContact CG2-CG2 3.59Å; L261-I368 HydrophobicContact CD1-CG2 4.29Å; V268-I368 HydrophobicContact CB-CD1 4.37Å; V268-I368 HydrophobicContact CB-CG1 4.43Å; V268-I368 HydrophobicContact CG1-CG1 4.36Å; V268-I368 HydrophobicContact CG2-CD1 4.01Å; V268-I368 HydrophobicContact CG2-CG1 4.46Å; I270-I368 HydrophobicContact CD1-CG1 4.19Å; F280-I368 HydrophobicContact CB-CD1 4.45Å; V282-I368 HydrophobicContact CG2-CD1 4.16Å; L364-I368 HydrophobicContact CD1-CD1 3.74Å; L364-I368 HydrophobicContact CD1-CG1 4.49Å; L364-I368 HydrophobicContact CG-CD1 4.12Å; L364-I368 WeakPolarHBondContact O-CG1 3.43Å; L364-I368 PolarHBondContact O-N 3.06Å; L364-I368 VanDerWaalsContact O-N 3.07Å; I368-T370 VanDerWaalsContact C-N 3.3Å; I368-T370 PolarHBondContact O-N 3.46Å; I368-A371 PolarHBondContact O-N 2.87Å; I368-V372 HydrophobicContact CG2-CG2 4.48Å; I368-V372 WeakPolarHBondContact O-CG2 3.22Å; I368-V372 PolarHBondContact O-N 2.84Å
369A94.5Very high93.4Very high0 Ų042.3 Ų42.30%021%0.21CC..Hα-helixtrans-66-32.8-178.300000112.3F297 I304 H365 L373 F493F297-A369 HydrophobicContact CE2-CB 4.2Å; I304-A369 HydrophobicContact CD1-CB 3.53Å; H365-A369 WeakPolarHBondContact O-CB 3.48Å; H365-A369 PolarHBondContact O-N 3.36Å; A369-L373 VanDerWaalsContact O-CB 3.25Å; A369-L373 WeakPolarHBondContact O-CB 3.46Å; A369-L373 PolarHBondContact O-N 3.25Å; A369-F493 HydrophobicContact CB-CZ 3.75Å
370T92.9Very high93.7Very high62 Ų6241.9 Ų41.938%0.3821%0.209SC..Hα-helixtrans-64.5-46.6173.3-56.80000111.2T366 N367 I368 V372 L373 E374 F493T366-T370 WeakPolarHBondContact O-CB 3.28Å; T366-T370 PolarHBondContact O-N 2.66Å; T366-T370 PolarHBondContact O-OG1 3.29Å; N367-T370 PolarHBondContact O-N 3.19Å; I368-T370 VanDerWaalsContact C-N 3.3Å; I368-T370 PolarHBondContact O-N 3.46Å; T370-V372 PolarHBondContact O-N 2.88Å; T370-L373 WeakPolarHBondContact O-CB 3.13Å; T370-L373 PolarHBondContact O-N 3.4Å; T370-E374 PolarHBondContact O-N 3.29Å; T370-F493 WeakPolarHBondContact OG1-CE2 3.31Å
371A93.7Very high93.8Very high9 Ų937 Ų377%0.07419%0.191CC..Hα-helixtrans-64-40.8178.500000112L261 I270 N367 I368 E374 Q375L261-A371 HydrophobicContact CD1-CB 4.12Å; L261-A371 HydrophobicContact CD2-CB 4.03Å; I270-A371 HydrophobicContact CD1-CB 3.87Å; I270-A371 HydrophobicContact CG1-CB 4.33Å; I270-A371 HydrophobicContact CG2-CB 3.81Å; N367-A371 PolarHBondContact O-N 3.21Å; I368-A371 PolarHBondContact O-N 2.87Å; A371-E374 PolarHBondContact O-N 3.05Å; A371-Q375 WeakPolarHBondContact O-CG 3.44Å; A371-Q375 PolarHBondContact O-N 3.01Å; A371-Q375 VanDerWaalsContact O-N 3.16Å
372V94.5Very high93.8Very high0 Ų036.7 Ų36.70%019%0.189CC..Hα-helixtrans-60.8-46.8172.7170.10000111L256 V257 V260 L261 F297 I368 T370 E374 Q375 I376L256-V372 HydrophobicContact CD2-CG1 3.58Å; L256-V372 HydrophobicContact CG-CG1 3.67Å; V257-V372 HydrophobicContact CG2-CG2 3.72Å; V260-V372 HydrophobicContact CG2-CB 4.43Å; V260-V372 HydrophobicContact CG2-CG1 4.36Å; V260-V372 HydrophobicContact CG2-CG2 4.05Å; L261-V372 HydrophobicContact CD1-CG2 3.8Å; L261-V372 HydrophobicContact CG-CG2 4.27Å; F297-V372 HydrophobicContact CD2-CG1 4.06Å; F297-V372 HydrophobicContact CE1-CG1 4.34Å; F297-V372 HydrophobicContact CE2-CB 4.01Å; F297-V372 HydrophobicContact CE2-CG1 3.59Å; F297-V372 HydrophobicContact CZ-CB 4.17Å; F297-V372 HydrophobicContact CZ-CG1 3.75Å; I368-V372 HydrophobicContact CG2-CG2 4.48Å; I368-V372 WeakPolarHBondContact O-CG2 3.22Å; I368-V372 PolarHBondContact O-N 2.84Å; T370-V372 PolarHBondContact O-N 2.88Å; V372-E374 VanDerWaalsContact C-N 3.29Å; V372-E374 PolarHBondContact O-N 2.88Å; V372-Q375 PolarHBondContact O-N 2.91Å; V372-Q375 VanDerWaalsContact O-N 3.15Å; V372-I376 HydrophobicContact CG1-CD1 4.01Å; V372-I376 HydrophobicContact CG1-CG1 4.38Å; V372-I376 WeakPolarHBondContact O-CG1 3.21Å; V372-I376 PolarHBondContact O-N 3.2Å
373L93.1Very high93.9Very high16 Ų1637.5 Ų37.58%0.08420%0.196CC..Hα-helixtrans-59.5-40179.5178.261.9000112.3F297 A369 T370 I376 K377 V498F297-L373 HydrophobicContact CE1-CB 4.5Å; F297-L373 HydrophobicContact CE1-CD1 4.38Å; F297-L373 HydrophobicContact CZ-CB 4.24Å; A369-L373 VanDerWaalsContact O-CB 3.25Å; A369-L373 WeakPolarHBondContact O-CB 3.46Å; A369-L373 PolarHBondContact O-N 3.25Å; T370-L373 WeakPolarHBondContact O-CB 3.13Å; T370-L373 PolarHBondContact O-N 3.4Å; L373-I376 PolarHBondContact O-N 3.44Å; L373-K377 HydrophobicContact CD1-CD 4.42Å; L373-K377 HydrophobicContact CD1-CG 4.48Å; L373-K377 HydrophobicContact CG-CD 4.36Å; L373-K377 WeakPolarHBondContact O-CG 3.31Å; L373-K377 PolarHBondContact O-N 2.98Å; L373-V498 HydrophobicContact CD1-CG2 3.04Å
374E93.3Very high94Very high118 Ų11834 Ų3455%0.55118%0.177SC*.Hα-helixtrans-60.8-46.8175.1-174.6173.1-168.100111.1T370 A371 V372 I376 K377 V378T370-E374 PolarHBondContact O-N 3.29Å; A371-E374 PolarHBondContact O-N 3.05Å; V372-E374 VanDerWaalsContact C-N 3.29Å; V372-E374 PolarHBondContact O-N 2.88Å; E374-I376 PolarHBondContact O-N 3.18Å; E374-K377 PolarHBondContact O-N 3.27Å; E374-V378 HydrophobicContact CG-CG2 4.31Å; E374-V378 WeakPolarHBondContact O-CB 3.29Å; E374-V378 WeakPolarHBondContact O-CG2 3.22Å; E374-V378 PolarHBondContact O-N 3.41Å
375Q94.1Very high94Very high61 Ų6134.1 Ų34.129%0.28518%0.178SC..Hα-helixtrans-62-41.7176.8-67.2-58.7-40.600112.6V260 L261 A371 V372 K377 R379V260-Q375 HydrophobicContact CB-CB 3.89Å; V260-Q375 HydrophobicContact CB-CG 4.12Å; V260-Q375 HydrophobicContact CG1-CB 4.45Å; V260-Q375 HydrophobicContact CG2-CB 3.97Å; V260-Q375 HydrophobicContact CG2-CG 4.16Å; L261-Q375 HydrophobicContact CD2-CG 4.37Å; A371-Q375 WeakPolarHBondContact O-CG 3.44Å; A371-Q375 PolarHBondContact O-N 3.01Å; A371-Q375 VanDerWaalsContact O-N 3.16Å; V372-Q375 PolarHBondContact O-N 2.91Å; V372-Q375 VanDerWaalsContact O-N 3.15Å; Q375-K377 VanDerWaalsContact C-N 3.33Å; Q375-K377 PolarHBondContact O-N 3.26Å; Q375-R379 WeakPolarHBondContact O-CB 3.07Å; Q375-R379 PolarHBondContact O-N 3.1Å; Q375-R379 VanDerWaalsContact O-N 3.07Å
376I93.8Very high93.8Very high1 Ų135.8 Ų35.81%0.00519%0.185CC..Hα-helixtrans-58.2-47.3175.1-65.5169000110.6W251 L256 F297 V372 L373 E374 Q380 L381W251-I376 HydrophobicContact CH2-CD1 4.28Å; W251-I376 HydrophobicContact CH2-CG1 4.43Å; W251-I376 HydrophobicContact CH2-CG2 3.88Å; L256-I376 HydrophobicContact CD2-CD1 3.91Å; L256-I376 HydrophobicContact CD2-CG1 4.43Å; F297-I376 HydrophobicContact CD1-CD1 3.62Å; F297-I376 HydrophobicContact CE1-CD1 3.52Å; F297-I376 HydrophobicContact CG-CD1 4.46Å; F297-I376 HydrophobicContact CZ-CD1 4.29Å; V372-I376 HydrophobicContact CG1-CD1 4.01Å; V372-I376 HydrophobicContact CG1-CG1 4.38Å; V372-I376 WeakPolarHBondContact O-CG1 3.21Å; V372-I376 PolarHBondContact O-N 3.2Å; L373-I376 PolarHBondContact O-N 3.44Å; E374-I376 PolarHBondContact O-N 3.18Å; I376-Q380 WeakPolarHBondContact O-CA 3.18Å; I376-Q380 PolarHBondContact O-N 3.32Å; I376-L381 HydrophobicContact CG1-CD1 4.35Å; I376-L381 HydrophobicContact CG2-CB 4.48Å; I376-L381 PolarHBondContact O-N 2.75Å; I376-L381 VanDerWaalsContact O-N 3.11Å
377K92.9Very high93.8Very high89 Ų8934.9 Ų34.939%0.38718%0.18SC..Hα-helixtrans-68-48-176.7-74.9178.3175.5-177.20112.1L373 E374 Q375 R379 Q380 I494 E496L373-K377 HydrophobicContact CD1-CD 4.42Å; L373-K377 HydrophobicContact CD1-CG 4.48Å; L373-K377 HydrophobicContact CG-CD 4.36Å; L373-K377 WeakPolarHBondContact O-CG 3.31Å; L373-K377 PolarHBondContact O-N 2.98Å; E374-K377 PolarHBondContact O-N 3.27Å; Q375-K377 VanDerWaalsContact C-N 3.33Å; Q375-K377 PolarHBondContact O-N 3.26Å; K377-R379 PolarHBondContact O-N 3.17Å; K377-Q380 PolarHBondContact O-N 3.36Å; K377-I494 PolarHBondContact NZ-O 3.16Å; K377-E496 WeakPolarHBondContact CE-O 3.49Å; K377-E496 PolarHBondContact NZ-O 3.35Å
378V93.5Very high93.8Very high101 Ų10131.7 Ų31.761%0.61216%0.163SC*.Hα-helixtrans-64.1-41.9-177.1171.30000111.1E374E374-V378 HydrophobicContact CG-CG2 4.31Å; E374-V378 WeakPolarHBondContact O-CB 3.29Å; E374-V378 WeakPolarHBondContact O-CG2 3.22Å; E374-V378 PolarHBondContact O-N 3.41Å
379R94.8Very high93.6Very high32 Ų3232.8 Ų32.812%0.12117%0.168CC..Hα-helixtrans-92.8-6.9-178-67.3161.262.6-168-3.3113.6Q375 K377 L381 G411 D415Q375-R379 WeakPolarHBondContact O-CB 3.07Å; Q375-R379 PolarHBondContact O-N 3.1Å; Q375-R379 VanDerWaalsContact O-N 3.07Å; K377-R379 PolarHBondContact O-N 3.17Å; R379-L381 VanDerWaalsContact C-N 3.3Å; R379-L381 HydrophobicContact CB-CD2 3.58Å; R379-L381 HydrophobicContact CB-CG 3.85Å; R379-L381 PolarHBondContact O-N 2.89Å; R379-G411 WeakPolarHBondContact O-CA 3.38Å; R379-G411 PolarHBondContact O-N 3.49Å; R379-D415 IonicContact CZ-OD1 3.38Å; R379-D415 IonicContact CZ-OD2 3.03Å; R379-D415 IonicContact NE-OD1 2.86Å; R379-D415 IonicContact NE-OD2 2.77Å; R379-D415 PolarHBondContact NE-OD2 3.13Å; R379-D415 IonicContact NH2-OD1 2.82Å; R379-D415 PolarHBondContact NH2-OD1 3.24Å; R379-D415 IonicContact NH2-OD2 2.67Å; R379-D415 PolarHBondContact NH2-OD2 3.46Å
380Q94.6Very high93.4Very high73 Ų7333.4 Ų33.434%0.34117%0.171SC..THydrogen-bonded Turntrans52.246.9-173.2-57.3-175.236.100112.4I376 K377 D382 S383 N409 V410I376-Q380 WeakPolarHBondContact O-CA 3.18Å; I376-Q380 PolarHBondContact O-N 3.32Å; K377-Q380 PolarHBondContact O-N 3.36Å; Q380-D382 VanDerWaalsContact C-OD1 3.32Å; Q380-D382 PolarHBondContact O-N 2.9Å; Q380-D382 VanDerWaalsContact O-N 3.12Å; Q380-S383 WeakPolarHBondContact O-CB 3.3Å; Q380-S383 PolarHBondContact O-N 3.18Å; Q380-S383 PolarHBondContact O-OG 3.15Å; Q380-N409 PolarHBondContact NE2-O 2.85Å; Q380-V410 HydrophobicContact CB-CG1 4.32Å
381L94.9Very high93.3Very high1 Ų130.9 Ų30.91%0.00516%0.155CC..Hα-helixtrans-61.7-22.5-173-63.5-176.7000113.6W251 V260 I376 R379 S383 F384 F385W251-L381 HydrophobicContact CZ3-CB 4.17Å; V260-L381 HydrophobicContact CG1-CD1 3.57Å; I376-L381 HydrophobicContact CG1-CD1 4.35Å; I376-L381 HydrophobicContact CG2-CB 4.48Å; I376-L381 PolarHBondContact O-N 2.75Å; I376-L381 VanDerWaalsContact O-N 3.11Å; R379-L381 VanDerWaalsContact C-N 3.3Å; R379-L381 HydrophobicContact CB-CD2 3.58Å; R379-L381 HydrophobicContact CB-CG 3.85Å; R379-L381 PolarHBondContact O-N 2.89Å; L381-S383 PolarHBondContact O-N 3.04Å; L381-F384 PolarHBondContact O-N 3.06Å; L381-F385 WeakPolarHBondContact O-CB 3.42Å; L381-F385 PolarHBondContact O-N 3.43Å
382D92.3Very high93Very high22 Ų2231 Ų3112%0.11816%0.155CC..Hα-helixtrans-60.6-35174.466.4-61.3000112W251 Q380 E386 K499 L501W251-D382 HydrophobicContact CH2-CB 3.79Å; W251-D382 HydrophobicContact CZ2-CB 4.27Å; Q380-D382 VanDerWaalsContact C-OD1 3.32Å; Q380-D382 PolarHBondContact O-N 2.9Å; Q380-D382 VanDerWaalsContact O-N 3.12Å; D382-E386 WeakPolarHBondContact O-CB 3.47Å; D382-E386 PolarHBondContact O-N 2.88Å; D382-E386 VanDerWaalsContact O-N 3.09Å; D382-K499 HydrophobicContact CB-CB 4.5Å; D382-K499 HydrophobicContact CB-CD 4.34Å; D382-K499 VanDerWaalsContact OD2-CD 3.3Å; D382-K499 WeakPolarHBondContact OD2-CD 3.27Å; D382-K499 WeakPolarHBondContact OD2-CE 3.32Å; D382-K499 IonicContact OD2-NZ 2.75Å; D382-K499 PolarHBondContact OD2-NZ 3.18Å; D382-L501 HydrophobicContact CB-CD1 4.11Å
383S92.8Very high92.6Very high28 Ų2832.6 Ų32.620%0.19616%0.163CC..Hα-helixtrans-70.6-38178.171.20000112.6Q380 L381 A387Q380-S383 WeakPolarHBondContact O-CB 3.3Å; Q380-S383 PolarHBondContact O-N 3.18Å; Q380-S383 PolarHBondContact O-OG 3.15Å; L381-S383 PolarHBondContact O-N 3.04Å; S383-A387 WeakPolarHBondContact O-CB 3.41Å; S383-A387 PolarHBondContact O-N 2.79Å; S383-A387 VanDerWaalsContact O-N 3.16Å
384F95.6Very high92.2Very high0 Ų040.3 Ų40.30%020%0.196CC..Hα-helixtrans-68.5-50.4175.8-70.3-88.1000110.9L381 E386 A387 E388 I404 V410 G411 D415 K416 L419L381-F384 PolarHBondContact O-N 3.06Å; F384-E386 VanDerWaalsContact C-N 3.33Å; F384-E386 PolarHBondContact O-N 3.16Å; F384-A387 PolarHBondContact O-N 2.92Å; F384-E388 WeakPolarHBondContact O-CB 3.23Å; F384-E388 VanDerWaalsContact O-CG 3.23Å; F384-E388 WeakPolarHBondContact O-CG 3.34Å; F384-E388 PolarHBondContact O-N 3.36Å; F384-I404 HydrophobicContact CE1-CG2 4.02Å; F384-I404 HydrophobicContact CZ-CG2 4.1Å; F384-V410 HydrophobicContact CD2-CG1 4.48Å; F384-V410 HydrophobicContact CE2-CG1 3.52Å; F384-V410 HydrophobicContact CZ-CG1 3.84Å; F384-G411 VanDerWaalsContact CE2-CA 3.44Å; F384-D415 HydrophobicContact CD1-CB 4.06Å; F384-D415 HydrophobicContact CD2-CB 4.45Å; F384-D415 HydrophobicContact CE1-CB 3.73Å; F384-D415 HydrophobicContact CE2-CB 4.14Å; F384-D415 HydrophobicContact CG-CB 4.42Å; F384-D415 HydrophobicContact CZ-CB 3.78Å; F384-K416 HydrophobicContact CE1-CG 4.14Å; F384-K416 HydrophobicContact CZ-CG 4.14Å; F384-L419 HydrophobicContact CD1-CB 4.01Å; F384-L419 HydrophobicContact CD1-CD2 4.05Å; F384-L419 HydrophobicContact CE1-CB 4.36Å; F384-L419 HydrophobicContact CE1-CD2 4.16Å
385F94.1Very high91.9Very high9 Ų937.5 Ų37.54%0.03918%0.183CC..Hα-helixtrans-54.7-47.6177.2179.9-97.6000112H248 H249 W251 L381 A387 E388 E389 L501 I503H248-F385 AromaticContact CE1-CE2 3.66Å; H248-F385 AromaticContact NE2-CD2 3.9Å; H248-F385 AromaticContact NE2-CE2 3.89Å; H249-F385 HydrophobicContact CB-CB 4.44Å; H249-F385 VanDerWaalsContact O-CD2 3.25Å; H249-F385 WeakPolarHBondContact O-CD2 3.47Å; W251-F385 HydrophobicContact CB-CD2 4.09Å; W251-F385 HydrophobicContact CB-CE1 4.27Å; W251-F385 HydrophobicContact CB-CE2 3.7Å; W251-F385 HydrophobicContact CB-CZ 3.79Å; W251-F385 HydrophobicContact CD2-CD1 4.44Å; W251-F385 HydrophobicContact CD2-CG 4.35Å; W251-F385 HydrophobicContact CE3-CB 4.06Å; W251-F385 HydrophobicContact CE3-CD1 4.48Å; W251-F385 HydrophobicContact CE3-CD2 4.25Å; W251-F385 AromaticContact CE3-CG 3.99Å; W251-F385 HydrophobicContact CE3-CG 3.99Å; W251-F385 HydrophobicContact CG-CE1 4.38Å; W251-F385 HydrophobicContact CG-CZ 4.38Å; W251-F385 HydrophobicContact CZ3-CB 4.22Å; L381-F385 WeakPolarHBondContact O-CB 3.42Å; L381-F385 PolarHBondContact O-N 3.43Å; F385-A387 PolarHBondContact O-N 2.99Å; F385-E388 PolarHBondContact O-N 3.16Å; F385-E389 HydrophobicContact CD1-CG 4.3Å; F385-E389 HydrophobicContact CD2-CG 4.49Å; F385-E389 HydrophobicContact CE1-CG 3.82Å; F385-E389 HydrophobicContact CE2-CG 4.02Å; F385-E389 HydrophobicContact CZ-CG 3.66Å; F385-E389 WeakPolarHBondContact O-CB 3.38Å; F385-E389 WeakPolarHBondContact O-CG 3.47Å; F385-E389 PolarHBondContact O-N 3.43Å; F385-L501 HydrophobicContact CD1-CB 4.25Å; F385-L501 HydrophobicContact CD1-CD1 3.59Å; F385-L501 HydrophobicContact CE1-CB 4.06Å; F385-L501 HydrophobicContact CE1-CD1 4.27Å; F385-L501 HydrophobicContact CG-CD1 4.48Å; F385-I503 HydrophobicContact CZ-CG1 4.31Å
386E92.2Very high91.5Very high35 Ų3539.7 Ų39.716%0.16421%0.205CC..Hα-helixtrans-64.1-40.3180-175.9174.7-177.400112.6D382 F384 K390 K499D382-E386 WeakPolarHBondContact O-CB 3.47Å; D382-E386 PolarHBondContact O-N 2.88Å; D382-E386 VanDerWaalsContact O-N 3.09Å; F384-E386 VanDerWaalsContact C-N 3.33Å; F384-E386 PolarHBondContact O-N 3.16Å; E386-K390 WeakPolarHBondContact O-CG 3.38Å; E386-K390 PolarHBondContact O-N 2.73Å; E386-K390 IonicContact OE1-NZ 2.63Å; E386-K390 PolarHBondContact OE1-NZ 3.14Å; E386-K499 IonicContact OE2-NZ 3.33Å; E386-K499 PolarHBondContact OE2-NZ 2.97Å
387A93.6Very high91.4Very high8 Ų841.1 Ų41.17%0.06621%0.214CC..Hα-helixtrans-66.9-45.117700000111.5S383 F384 F385 K390 L391 T397 I404 L419S383-A387 WeakPolarHBondContact O-CB 3.41Å; S383-A387 PolarHBondContact O-N 2.79Å; S383-A387 VanDerWaalsContact O-N 3.16Å; F384-A387 PolarHBondContact O-N 2.92Å; F385-A387 PolarHBondContact O-N 2.99Å; A387-K390 PolarHBondContact O-N 2.91Å; A387-L391 VanDerWaalsContact O-CG 3.27Å; A387-L391 WeakPolarHBondContact O-CG 3.43Å; A387-L391 PolarHBondContact O-N 3.17Å; A387-T397 HydrophobicContact CB-CG2 4.2Å; A387-I404 HydrophobicContact CB-CD1 4.23Å; A387-L419 HydrophobicContact CB-CD1 3.88Å
388E93.6Very high91.2Very high0 Ų042.5 Ų42.50%023%0.225CC..Hα-helixtrans-66.5-42.2-179.4-66.8165.5178.100111.9H248 H249 F384 F385 K390 L391 M392 L419 V422H248-E388 VanDerWaalsContact CD2-CB 3.48Å; H248-E388 WeakPolarHBondContact CD2-CB 3.43Å; H248-E388 IonicContact CD2-OE2 2.8Å; H248-E388 PolarHBondContact CD2-OE2 2.99Å; H248-E388 VanDerWaalsContact CD2-OE2 3.24Å; H249-E388 WeakPolarHBondContact CB-OE2 3.28Å; H249-E388 IonicContact CE1-OE1 2.7Å; H249-E388 IonicContact CG-OE2 2.83Å; H249-E388 PolarHBondContact N-OE2 3.48Å; H249-E388 IonicContact ND1-OE1 3.03Å; H249-E388 PolarHBondContact ND1-OE1 3.41Å; H249-E388 IonicContact ND1-OE2 3.08Å; H249-E388 PolarHBondContact ND1-OE2 3.43Å; H249-E388 VanDerWaalsContact ND1-OE2 3.14Å; F384-E388 WeakPolarHBondContact O-CB 3.23Å; F384-E388 VanDerWaalsContact O-CG 3.23Å; F384-E388 WeakPolarHBondContact O-CG 3.34Å; F384-E388 PolarHBondContact O-N 3.36Å; F385-E388 PolarHBondContact O-N 3.16Å; E388-K390 VanDerWaalsContact C-N 3.29Å; E388-K390 PolarHBondContact O-N 2.98Å; E388-L391 WeakPolarHBondContact O-CB 3.46Å; E388-L391 PolarHBondContact O-N 3.3Å; E388-L391 VanDerWaalsContact O-N 3.13Å; E388-M392 WeakPolarHBondContact O-CB 3.43Å; E388-M392 VanDerWaalsContact O-CG 3.31Å; E388-M392 WeakPolarHBondContact O-CG 3.35Å; E388-M392 PolarHBondContact O-N 3.24Å; E388-L419 HydrophobicContact CG-CD1 3.6Å; E388-V422 HydrophobicContact CB-CG1 4.2Å; E388-V422 HydrophobicContact CG-CB 4.36Å; E388-V422 HydrophobicContact CG-CG1 4.22Å; E388-V422 HydrophobicContact CG-CG2 4.37Å
389E90Very high91.1Very high23 Ų2345 Ų4511%0.10722%0.223CC..Hα-helixtrans-58.3-41.7174.2-85-72.6108.100111.6H248 F385 N393H248-E389 IonicContact CE1-OE1 3.43Å; H248-E389 PolarHBondContact CE1-OE1 3.22Å; H248-E389 VanDerWaalsContact CE1-OE1 3.28Å; H248-E389 IonicContact NE2-OE1 2.92Å; F385-E389 HydrophobicContact CD1-CG 4.3Å; F385-E389 HydrophobicContact CD2-CG 4.49Å; F385-E389 HydrophobicContact CE1-CG 3.82Å; F385-E389 HydrophobicContact CE2-CG 4.02Å; F385-E389 HydrophobicContact CZ-CG 3.66Å; F385-E389 WeakPolarHBondContact O-CB 3.38Å; F385-E389 WeakPolarHBondContact O-CG 3.47Å; F385-E389 PolarHBondContact O-N 3.43Å; E389-N393 VanDerWaalsContact O-CB 3.29Å; E389-N393 WeakPolarHBondContact O-CB 3.45Å; E389-N393 VanDerWaalsContact O-CG 3.28Å; E389-N393 PolarHBondContact O-N 3.04Å; E389-N393 PolarHBondContact O-ND2 3.43Å
390K90.7Very high90.9Very high14 Ų1446.9 Ų46.96%0.06124%0.24CC..Hα-helixtrans-63.2-46.7175.2-74.5173.2-175.6169.50110.8E386 A387 E388 N393 K394 Q395 T397 D398E386-K390 WeakPolarHBondContact O-CG 3.38Å; E386-K390 PolarHBondContact O-N 2.73Å; E386-K390 IonicContact OE1-NZ 2.63Å; E386-K390 PolarHBondContact OE1-NZ 3.14Å; A387-K390 PolarHBondContact O-N 2.91Å; E388-K390 VanDerWaalsContact C-N 3.29Å; E388-K390 PolarHBondContact O-N 2.98Å; K390-N393 CarbonylContact O-C 3.46Å; K390-N393 PolarHBondContact O-N 3.2Å; K390-K394 PolarHBondContact O-N 3.21Å; K390-K394 VanDerWaalsContact O-N 3.13Å; K390-Q395 CarbonylContact C-O 3.59Å; K390-Q395 HydrophobicContact CB-CB 4.17Å; K390-Q395 HydrophobicContact CG-CB 4.47Å; K390-Q395 WeakPolarHBondContact O-CA 3.36Å; K390-Q395 WeakPolarHBondContact O-CB 3.17Å; K390-Q395 PolarHBondContact O-N 2.74Å; K390-T397 HydrophobicContact CB-CG2 4.38Å; K390-D398 IonicContact NZ-OD1 3.34Å; K390-D398 PolarHBondContact NZ-OD1 3.42Å; K390-D398 IonicContact NZ-OD2 3.55Å; K390-D398 PolarHBondContact NZ-OD2 2.87Å
391L90.9Very high90.9Very high8 Ų843.5 Ų43.54%0.04222%0.224CC..Hα-helixtrans-61.9-47.6178.6-69.4170000112.4A387 E388 N393 K394 T397 V401 L419 V422 K423A387-L391 VanDerWaalsContact O-CG 3.27Å; A387-L391 WeakPolarHBondContact O-CG 3.43Å; A387-L391 PolarHBondContact O-N 3.17Å; E388-L391 WeakPolarHBondContact O-CB 3.46Å; E388-L391 PolarHBondContact O-N 3.3Å; E388-L391 VanDerWaalsContact O-N 3.13Å; L391-N393 PolarHBondContact O-N 3Å; L391-K394 PolarHBondContact O-N 3.37Å; L391-T397 HydrophobicContact CD1-CG2 4.28Å; L391-T397 HydrophobicContact CD2-CG2 3.83Å; L391-T397 HydrophobicContact CG-CG2 3.72Å; L391-V401 HydrophobicContact CD1-CG2 4.16Å; L391-L419 HydrophobicContact CD1-CD1 3.79Å; L391-V422 HydrophobicContact CB-CG1 4.38Å; L391-K423 HydrophobicContact CD1-CB 3.85Å; L391-K423 HydrophobicContact CD1-CG 4.34Å; L391-K423 HydrophobicContact CD2-CB 4.4Å; L391-K423 HydrophobicContact CD2-CG 4.02Å
392M87.7Confident90.9Very high13 Ų1345.5 Ų45.56%0.06424%0.235CC..Hα-helixtrans-62.1-29.7178.3-71.1-178.174.600111.4H248 E388 V422 R506H248-M392 HydrophobicContact CB-SD 4.01Å; H248-M392 VanDerWaalsContact CD2-SD 3.58Å; E388-M392 WeakPolarHBondContact O-CB 3.43Å; E388-M392 VanDerWaalsContact O-CG 3.31Å; E388-M392 WeakPolarHBondContact O-CG 3.35Å; E388-M392 PolarHBondContact O-N 3.24Å; M392-V422 HydrophobicContact CG-CG1 3.93Å; M392-R506 VanDerWaalsContact C-NH1 3.29Å; M392-R506 PolarHBondContact O-NH1 3.23Å
393N85.5Confident91Very high33 Ų3348.5 Ų48.518%0.17625%0.251CS..THydrogen-bonded Turntrans-91.29.8175.2-67.5-43.5000114.2E389 K390 L391 Q395 R506E389-N393 VanDerWaalsContact O-CB 3.29Å; E389-N393 WeakPolarHBondContact O-CB 3.45Å; E389-N393 VanDerWaalsContact O-CG 3.28Å; E389-N393 PolarHBondContact O-N 3.04Å; E389-N393 PolarHBondContact O-ND2 3.43Å; K390-N393 CarbonylContact O-C 3.46Å; K390-N393 PolarHBondContact O-N 3.2Å; L391-N393 PolarHBondContact O-N 3Å; N393-Q395 HydrophobicContact CB-CG 4.33Å; N393-Q395 PolarHBondContact O-N 2.87Å; N393-R506 PolarHBondContact OD1-NH1 2.92Å
394K85.4Confident91.1Very high177 Ų17747.9 Ų47.977%0.7725%0.245SC*.THydrogen-bonded Turntrans57.336.7-179.8-56.1-178177.2-176.50113.1K390 L391K390-K394 PolarHBondContact O-N 3.21Å; K390-K394 VanDerWaalsContact O-N 3.13Å; L391-K394 PolarHBondContact O-N 3.37Å
395Q87.2Confident91.1Very high59 Ų5947.9 Ų47.928%0.27625%0.245SC..  trans-106.1152.2174.4-61.7177.89.600109.9K390 N393K390-Q395 CarbonylContact C-O 3.59Å; K390-Q395 HydrophobicContact CB-CB 4.17Å; K390-Q395 HydrophobicContact CG-CB 4.47Å; K390-Q395 WeakPolarHBondContact O-CA 3.36Å; K390-Q395 WeakPolarHBondContact O-CB 3.17Å; K390-Q395 PolarHBondContact O-N 2.74Å; N393-Q395 HydrophobicContact CB-CG 4.33Å; N393-Q395 PolarHBondContact O-N 2.87Å
396S86.2Confident91.2Very high107 Ų10753.4 Ų53.475%0.74827%0.269SS*.  trans-67.7137.817353.60000110.9
397T89.9Confident91.3Very high32 Ų3253.8 Ų53.820%0.19627%0.272CS..  trans-75.3150.4172.858.40000111.1A387 K390 L391 R399A387-T397 HydrophobicContact CB-CG2 4.2Å; K390-T397 HydrophobicContact CB-CG2 4.38Å; L391-T397 HydrophobicContact CD1-CG2 4.28Å; L391-T397 HydrophobicContact CD2-CG2 3.83Å; L391-T397 HydrophobicContact CG-CG2 3.72Å; T397-R399 VanDerWaalsContact C-N 3.33Å; T397-R399 VanDerWaalsContact CB-O 3.3Å; T397-R399 WeakPolarHBondContact CB-O 3.48Å; T397-R399 PolarHBondContact OG1-O 3.03Å
398D89Confident91.1Very high117 Ų11761.5 Ų61.563%0.62631%0.307SS*.SBendtrans-69.3-34.9179.2-60.9-15.9000112.3K390K390-D398 IonicContact NZ-OD1 3.34Å; K390-D398 PolarHBondContact NZ-OD1 3.42Å; K390-D398 IonicContact NZ-OD2 3.55Å; K390-D398 PolarHBondContact NZ-OD2 2.87Å
399R91.5Very high91Very high153 Ų15367.6 Ų67.658%0.57734%0.34SS*.SBendtrans-112.1135.7171.9-72.4-176.4172-169.1-2.1108.9T397 V401 I404T397-R399 VanDerWaalsContact C-N 3.33Å; T397-R399 VanDerWaalsContact CB-O 3.3Å; T397-R399 WeakPolarHBondContact CB-O 3.48Å; T397-R399 PolarHBondContact OG1-O 3.03Å; R399-V401 PolarHBondContact O-N 2.63Å; R399-I404 HydrophobicContact CB-CD1 4.24Å; R399-I404 HydrophobicContact CB-CG1 4.14Å
400P91.9Very high91.1Very high72 Ų7266.8 Ų66.847%0.46834%0.337SS..  trans-56.2135171.2-24.234.2000110.8L402 D403 I404P400-L402 PolarHBondContact O-N 2.84Å; P400-L402 VanDerWaalsContact O-N 3.17Å; P400-D403 WeakPolarHBondContact CD-OD2 3.38Å; P400-D403 WeakPolarHBondContact CG-OD2 3.41Å; P400-D403 WeakPolarHBondContact O-CB 3.49Å; P400-D403 PolarHBondContact O-N 3.35Å; P400-I404 PolarHBondContact O-N 3.33Å
401V93.6Very high91.2Very high2 Ų267 Ų671%0.01234%0.343CS..Hα-helixtrans-55.8-35.8179.6169.80000112.1L391 R399 D403 I404 I405 L419 K423L391-V401 HydrophobicContact CD1-CG2 4.16Å; R399-V401 PolarHBondContact O-N 2.63Å; V401-D403 PolarHBondContact O-N 3.45Å; V401-I404 PolarHBondContact O-N 3.06Å; V401-I405 HydrophobicContact CG1-CD1 4.03Å; V401-I405 HydrophobicContact CG1-CG1 4.37Å; V401-I405 WeakPolarHBondContact O-CG1 3.39Å; V401-I405 PolarHBondContact O-N 2.82Å; V401-L419 HydrophobicContact CG1-CD2 4.01Å; V401-L419 HydrophobicContact CG1-CG 3.98Å; V401-L419 HydrophobicContact CG2-CD1 4.34Å; V401-L419 HydrophobicContact CG2-CD2 4.34Å; V401-L419 HydrophobicContact CG2-CG 4.31Å; V401-K423 HydrophobicContact CB-CD 4Å; V401-K423 HydrophobicContact CG1-CD 4.23Å; V401-K423 HydrophobicContact CG2-CD 3.91Å
402L94.7Very high91.4Very high43 Ų4367.9 Ų67.923%0.22535%0.35CS..Hα-helixtrans-60.1-34.2176.3-175.262.6000112.9P400 K406 A436 A440P400-L402 PolarHBondContact O-N 2.84Å; P400-L402 VanDerWaalsContact O-N 3.17Å; L402-K406 HydrophobicContact CG-CD 4.37Å; L402-K406 WeakPolarHBondContact O-CG 3.21Å; L402-K406 PolarHBondContact O-N 3.34Å; L402-A436 HydrophobicContact CD1-CB 4.4Å; L402-A436 HydrophobicContact CD2-CB 4.27Å; L402-A440 HydrophobicContact CD1-CB 3.87Å
403D95.1Very high91.8Very high86 Ų8669.7 Ų69.746%0.4636%0.362SS..Hα-helixtrans-74.5-37179.2-63.1-19.2000110.8P400 V401 K406 D407P400-D403 WeakPolarHBondContact CD-OD2 3.38Å; P400-D403 WeakPolarHBondContact CG-OD2 3.41Å; P400-D403 WeakPolarHBondContact O-CB 3.49Å; P400-D403 PolarHBondContact O-N 3.35Å; V401-D403 PolarHBondContact O-N 3.45Å; D403-K406 PolarHBondContact O-N 3.28Å; D403-D407 PolarHBondContact O-N 3.22Å
404I95.1Very high92.3Very high14 Ų1471.9 Ų71.97%0.07237%0.371CS..Hα-helixtrans-62.9-42.5173.8-59.1173.1000110.5F384 A387 R399 P400 V401 K406 D407 V410 L419F384-I404 HydrophobicContact CE1-CG2 4.02Å; F384-I404 HydrophobicContact CZ-CG2 4.1Å; A387-I404 HydrophobicContact CB-CD1 4.23Å; R399-I404 HydrophobicContact CB-CD1 4.24Å; R399-I404 HydrophobicContact CB-CG1 4.14Å; P400-I404 PolarHBondContact O-N 3.33Å; V401-I404 PolarHBondContact O-N 3.06Å; I404-K406 VanDerWaalsContact C-N 3.3Å; I404-K406 PolarHBondContact O-N 2.84Å; I404-D407 PolarHBondContact O-N 3.22Å; I404-V410 HydrophobicContact CG2-CG1 4.31Å; I404-L419 HydrophobicContact CB-CD2 4.16Å; I404-L419 HydrophobicContact CD1-CD2 3.99Å; I404-L419 HydrophobicContact CG2-CD2 3.83Å
405I95.2Very high92.8Very high0 Ų063.4 Ų63.40%034%0.335CS..Hα-helixtrans-61-42.2177.3-62.7164.6000110.8V401 K416 T420 C437 A440 L441 I444V401-I405 HydrophobicContact CG1-CD1 4.03Å; V401-I405 HydrophobicContact CG1-CG1 4.37Å; V401-I405 WeakPolarHBondContact O-CG1 3.39Å; V401-I405 PolarHBondContact O-N 2.82Å; I405-K416 HydrophobicContact CG1-CB 4.4Å; I405-K416 WeakPolarHBondContact O-CD 3.24Å; I405-K416 WeakPolarHBondContact O-CE 3.14Å; I405-K416 PolarHBondContact O-NZ 2.63Å; I405-T420 HydrophobicContact CD1-CG2 4.46Å; I405-T420 VanDerWaalsContact CD1-OG1 3.27Å; I405-T420 WeakPolarHBondContact CD1-OG1 3.41Å; I405-C437 HydrophobicContact CD1-CB 3.88Å; I405-A440 HydrophobicContact CB-CB 4.42Å; I405-A440 HydrophobicContact CG2-CB 3.65Å; I405-L441 HydrophobicContact CD1-CG 4.38Å; I405-L441 HydrophobicContact CG1-CD2 4.46Å; I405-L441 HydrophobicContact CG2-CD2 3.9Å; I405-L441 HydrophobicContact CG2-CG 4.05Å; I405-I444 HydrophobicContact CG2-CD1 4.45Å
406K95.2Very high93.3Very high125 Ų12561 Ų6154%0.54332%0.323SS..Hα-helixtrans-74.9-20.9-177.4-72.7174.5-179.6175.60114L402 D403 I404 Q408 A440L402-K406 HydrophobicContact CG-CD 4.37Å; L402-K406 WeakPolarHBondContact O-CG 3.21Å; L402-K406 PolarHBondContact O-N 3.34Å; D403-K406 PolarHBondContact O-N 3.28Å; I404-K406 VanDerWaalsContact C-N 3.3Å; I404-K406 PolarHBondContact O-N 2.84Å; K406-Q408 PolarHBondContact O-N 2.84Å; K406-A440 HydrophobicContact CG-CB 4.32Å
407D94.3Very high93.8Very high43 Ų4356.1 Ų56.123%0.2329%0.288CS..  trans-69.9113.7178.8-166.4-21.9000110.6D403 I404 N409 V410 K416D403-D407 PolarHBondContact O-N 3.22Å; I404-D407 PolarHBondContact O-N 3.22Å; D407-N409 PolarHBondContact O-N 3.4Å; D407-N409 PolarHBondContact OD1-N 3.42Å; D407-N409 PolarHBondContact OD1-ND2 2.9Å; D407-V410 HydrophobicContact CB-CB 4.25Å; D407-V410 HydrophobicContact CB-CG2 4.11Å; D407-V410 WeakPolarHBondContact OD2-CG2 2.95Å; D407-K416 WeakPolarHBondContact O-CE 3.45Å; D407-K416 PolarHBondContact O-NZ 3.14Å
408Q90.4Very high94.1Very high171 Ų17154.6 Ų54.680%0.79928%0.279SS*.THydrogen-bonded Turntrans-72.1-13.7-178.1-66.6-175.7-6.400113.4K406K406-Q408 PolarHBondContact O-N 2.84Å
409N90.7Very high94.4Very high127 Ų12749 Ų4968%0.67925%0.249SC*.THydrogen-bonded Turntrans-97.90.3-175.2-53.1-64.7000113.5Q380 D407Q380-N409 PolarHBondContact NE2-O 2.85Å; D407-N409 PolarHBondContact O-N 3.4Å; D407-N409 PolarHBondContact OD1-N 3.42Å; D407-N409 PolarHBondContact OD1-ND2 2.9Å
410V92.3Very high94.6Very high7 Ų741.7 Ų41.74%0.04222%0.222CC..SBendtrans-124.4120.4-169.7178.50000110Q380 F384 I404 D407 K416Q380-V410 HydrophobicContact CB-CG1 4.32Å; F384-V410 HydrophobicContact CD2-CG1 4.48Å; F384-V410 HydrophobicContact CE2-CG1 3.52Å; F384-V410 HydrophobicContact CZ-CG1 3.84Å; I404-V410 HydrophobicContact CG2-CG1 4.31Å; D407-V410 HydrophobicContact CB-CB 4.25Å; D407-V410 HydrophobicContact CB-CG2 4.11Å; D407-V410 WeakPolarHBondContact OD2-CG2 2.95Å; V410-K416 WeakPolarHBondContact O-CE 3.22Å
411G94Very high94.8Very high19 Ų1938.3 Ų38.320%0.19620%0.2CC..SBendtrans65.5166.1174.300000116R379 F384R379-G411 WeakPolarHBondContact O-CA 3.38Å; R379-G411 PolarHBondContact O-N 3.49Å; F384-G411 VanDerWaalsContact CE2-CA 3.44Å
412S95Very high94.8Very high26 Ų2638.2 Ų38.218%0.18220%0.199CC..  trans-79.8167.4169.585.90000111.6E414 D415 K416S412-E414 WeakPolarHBondContact CB-OE2 3.39Å; S412-E414 PolarHBondContact O-N 2.9Å; S412-E414 PolarHBondContact OG-N 3.42Å; S412-E414 PolarHBondContact OG-OE2 3.37Å; S412-D415 PolarHBondContact N-OD2 2.88Å; S412-D415 PolarHBondContact O-N 3.2Å; S412-D415 PolarHBondContact OG-N 2.83Å; S412-D415 PolarHBondContact OG-OD2 3.09Å; S412-K416 PolarHBondContact O-N 2.92Å
413P95.3Very high94.7Very high51 Ų5137.9 Ų37.933%0.33120%0.196SC..Hα-helixtrans-51.9-39.5168.6-27.637.4000112.8M417 C446P413-M417 WeakPolarHBondContact O-CB 3.48Å; P413-M417 PolarHBondContact O-N 2.9Å; P413-C446 VanDerWaalsContact CA-SG 3.6Å; P413-C446 WeakPolarHBondContact CB-SG 3.25Å; P413-C446 PolarHBondContact O-SG 3.02Å
414E95.5Very high94.6Very high78 Ų7834.8 Ų34.836%0.36418%0.178SC..Hα-helixtrans-66.8-40.6177.3-58.175.7-165.400111.9S412 K416 M417 R418 V590 L593S412-E414 WeakPolarHBondContact CB-OE2 3.39Å; S412-E414 PolarHBondContact O-N 2.9Å; S412-E414 PolarHBondContact OG-N 3.42Å; S412-E414 PolarHBondContact OG-OE2 3.37Å; E414-K416 VanDerWaalsContact C-N 3.34Å; E414-K416 PolarHBondContact O-N 2.93Å; E414-M417 WeakPolarHBondContact O-CB 2.98Å; E414-M417 PolarHBondContact O-N 2.95Å; E414-R418 WeakPolarHBondContact O-CB 3.3Å; E414-R418 VanDerWaalsContact O-CG 3.24Å; E414-R418 WeakPolarHBondContact O-CG 3.35Å; E414-R418 PolarHBondContact O-N 3.29Å; E414-V590 HydrophobicContact CB-CG2 4.45Å; E414-L593 HydrophobicContact CB-CD2 4.18Å; E414-L593 HydrophobicContact CG-CD2 4.36Å
415D97Very high94.4Very high0 Ų036.3 Ų36.30%019%0.186CC..Hα-helixtrans-61.8-43.6177.9-62.3-29.5000111.7H249 R379 F384 S412 M417 R418 L419H249-D415 IonicContact CE1-OD1 3.51Å; H249-D415 IonicContact NE2-OD1 3.54Å; H249-D415 PolarHBondContact NE2-OD1 2.9Å; H249-D415 VanDerWaalsContact NE2-OD1 3.07Å; R379-D415 IonicContact CZ-OD1 3.38Å; R379-D415 IonicContact CZ-OD2 3.03Å; R379-D415 IonicContact NE-OD1 2.86Å; R379-D415 IonicContact NE-OD2 2.77Å; R379-D415 PolarHBondContact NE-OD2 3.13Å; R379-D415 IonicContact NH2-OD1 2.82Å; R379-D415 PolarHBondContact NH2-OD1 3.24Å; R379-D415 IonicContact NH2-OD2 2.67Å; R379-D415 PolarHBondContact NH2-OD2 3.46Å; F384-D415 HydrophobicContact CD1-CB 4.06Å; F384-D415 HydrophobicContact CD2-CB 4.45Å; F384-D415 HydrophobicContact CE1-CB 3.73Å; F384-D415 HydrophobicContact CE2-CB 4.14Å; F384-D415 HydrophobicContact CG-CB 4.42Å; F384-D415 HydrophobicContact CZ-CB 3.78Å; S412-D415 PolarHBondContact N-OD2 2.88Å; S412-D415 PolarHBondContact O-N 3.2Å; S412-D415 PolarHBondContact OG-N 2.83Å; S412-D415 PolarHBondContact OG-OD2 3.09Å; D415-M417 VanDerWaalsContact C-N 3.34Å; D415-R418 PolarHBondContact O-N 2.91Å; D415-R418 IonicContact OD1-NH1 2.85Å; D415-L419 PolarHBondContact O-N 2.77Å
416K97Very high94Very high8 Ų838 Ų384%0.03520%0.197CC..Hα-helixtrans-65.7-39.1176.3-66.9171.4178-170.70111.8F384 I405 D407 V410 S412 E414 T420 L441 I444F384-K416 HydrophobicContact CE1-CG 4.14Å; F384-K416 HydrophobicContact CZ-CG 4.14Å; I405-K416 HydrophobicContact CG1-CB 4.4Å; I405-K416 WeakPolarHBondContact O-CD 3.24Å; I405-K416 WeakPolarHBondContact O-CE 3.14Å; I405-K416 PolarHBondContact O-NZ 2.63Å; D407-K416 WeakPolarHBondContact O-CE 3.45Å; D407-K416 PolarHBondContact O-NZ 3.14Å; V410-K416 WeakPolarHBondContact O-CE 3.22Å; S412-K416 PolarHBondContact O-N 2.92Å; E414-K416 VanDerWaalsContact C-N 3.34Å; E414-K416 PolarHBondContact O-N 2.93Å; K416-T420 WeakPolarHBondContact O-CB 3.43Å; K416-T420 PolarHBondContact O-N 3.04Å; K416-T420 VanDerWaalsContact O-N 3.1Å; K416-T420 PolarHBondContact O-OG1 3.28Å; K416-L441 HydrophobicContact CB-CD2 3.87Å; K416-I444 HydrophobicContact CB-CD1 4.36Å; K416-I444 HydrophobicContact CD-CD1 3.38Å
417M96.5Very high93.4Very high4 Ų435.7 Ų35.72%0.0219%0.191CC..Hα-helixtrans-62.9-48.3174.7-175.163.6179.200110.8P413 E414 D415 T420 L421 L441 A450 F451 L593P413-M417 WeakPolarHBondContact O-CB 3.48Å; P413-M417 PolarHBondContact O-N 2.9Å; E414-M417 WeakPolarHBondContact O-CB 2.98Å; E414-M417 PolarHBondContact O-N 2.95Å; D415-M417 VanDerWaalsContact C-N 3.34Å; M417-T420 PolarHBondContact O-N 3.47Å; M417-L421 HydrophobicContact CE-CD1 4.13Å; M417-L421 HydrophobicContact CE-CD2 4.27Å; M417-L421 HydrophobicContact CE-CG 4.28Å; M417-L421 HydrophobicContact CG-CD1 4.06Å; M417-L421 VanDerWaalsContact O-CG 3.29Å; M417-L421 WeakPolarHBondContact O-CG 3.41Å; M417-L421 PolarHBondContact O-N 3.13Å; M417-L441 HydrophobicContact CB-CD2 4.48Å; M417-L441 HydrophobicContact SD-CD1 3.81Å; M417-A450 HydrophobicContact CE-CB 3.73Å; M417-F451 HydrophobicContact CE-CD2 3.55Å; M417-F451 HydrophobicContact CE-CE2 3.41Å; M417-F451 VanDerWaalsContact CE-CE2 3.41Å; M417-F451 HydrophobicContact CE-CZ 4.49Å; M417-F451 HydrophobicContact SD-CD2 4.26Å; M417-F451 HydrophobicContact SD-CE2 3.61Å; M417-L593 HydrophobicContact CB-CD2 4.07Å; M417-L593 HydrophobicContact CE-CD1 4.15Å; M417-L593 HydrophobicContact CG-CD1 3.65Å; M417-L593 HydrophobicContact CG-CD2 3.82Å; M417-L593 HydrophobicContact CG-CG 4.39Å
418R96.7Very high92.5Very high0 Ų042 Ų420%022%0.219CC..Hα-helixtrans-56.9-50.7176.5-73.116865.3174.214112F247 H248 H249 D259 E414 D415 T420 L421 V422F247-R418 HydrophobicContact CB-CB 4.36Å; F247-R418 HydrophobicContact CB-CG 4.46Å; F247-R418 HydrophobicContact CD1-CG 4.18Å; F247-R418 PolarHBondContact O-NE 3.18Å; F247-R418 PolarHBondContact O-NH2 3.24Å; H248-R418 PolarHBondContact O-NH2 3.4Å; H249-R418 PolarHBondContact CD2-NH1 2.97Å; H249-R418 PolarHBondContact NE2-NH1 3.04Å; H249-R418 VanDerWaalsContact NE2-NH1 3.13Å; D259-R418 IonicContact OD1-CZ 3.13Å; D259-R418 IonicContact OD1-NH1 2.71Å; D259-R418 PolarHBondContact OD1-NH1 2.76Å; D259-R418 IonicContact OD1-NH2 2.93Å; D259-R418 PolarHBondContact OD1-NH2 2.93Å; D259-R418 IonicContact OD2-CZ 2.76Å; D259-R418 IonicContact OD2-NH1 2.94Å; D259-R418 PolarHBondContact OD2-NH1 3.14Å; D259-R418 IonicContact OD2-NH2 2.64Å; D259-R418 PolarHBondContact OD2-NH2 3.07Å; E414-R418 WeakPolarHBondContact O-CB 3.3Å; E414-R418 VanDerWaalsContact O-CG 3.24Å; E414-R418 WeakPolarHBondContact O-CG 3.35Å; E414-R418 PolarHBondContact O-N 3.29Å; D415-R418 PolarHBondContact O-N 2.91Å; D415-R418 IonicContact OD1-NH1 2.85Å; R418-T420 VanDerWaalsContact C-N 3.27Å; R418-T420 PolarHBondContact O-N 3.24Å; R418-L421 WeakPolarHBondContact O-CB 3.26Å; R418-L421 PolarHBondContact O-N 3.44Å; R418-L421 VanDerWaalsContact O-N 3.09Å; R418-V422 WeakPolarHBondContact O-CG2 3.38Å; R418-V422 PolarHBondContact O-N 3.46Å
419L96Very high92.3Very high0 Ų035.1 Ų35.10%019%0.187CC..Hα-helixtrans-56.6-42.1176.8173.464.1000112.1F384 A387 E388 L391 V401 I404 D415 V422 K423F384-L419 HydrophobicContact CD1-CB 4.01Å; F384-L419 HydrophobicContact CD1-CD2 4.05Å; F384-L419 HydrophobicContact CE1-CB 4.36Å; F384-L419 HydrophobicContact CE1-CD2 4.16Å; A387-L419 HydrophobicContact CB-CD1 3.88Å; E388-L419 HydrophobicContact CG-CD1 3.6Å; L391-L419 HydrophobicContact CD1-CD1 3.79Å; V401-L419 HydrophobicContact CG1-CD2 4.01Å; V401-L419 HydrophobicContact CG1-CG 3.98Å; V401-L419 HydrophobicContact CG2-CD1 4.34Å; V401-L419 HydrophobicContact CG2-CD2 4.34Å; V401-L419 HydrophobicContact CG2-CG 4.31Å; I404-L419 HydrophobicContact CB-CD2 4.16Å; I404-L419 HydrophobicContact CD1-CD2 3.99Å; I404-L419 HydrophobicContact CG2-CD2 3.83Å; D415-L419 PolarHBondContact O-N 2.77Å; L419-V422 PolarHBondContact O-N 3.38Å; L419-K423 PolarHBondContact O-N 2.96Å
420T95.9Very high92.1Very high0 Ų032.9 Ų32.90%018%0.178CC..Hα-helixtrans-68.1-38.2178.9-49.50000111.4I405 K416 M417 R418 K423 Y424 C437 L441 F451I405-T420 HydrophobicContact CD1-CG2 4.46Å; I405-T420 VanDerWaalsContact CD1-OG1 3.27Å; I405-T420 WeakPolarHBondContact CD1-OG1 3.41Å; K416-T420 WeakPolarHBondContact O-CB 3.43Å; K416-T420 PolarHBondContact O-N 3.04Å; K416-T420 VanDerWaalsContact O-N 3.1Å; K416-T420 PolarHBondContact O-OG1 3.28Å; M417-T420 PolarHBondContact O-N 3.47Å; R418-T420 VanDerWaalsContact C-N 3.27Å; R418-T420 PolarHBondContact O-N 3.24Å; T420-K423 PolarHBondContact O-N 3.24Å; T420-Y424 WeakPolarHBondContact O-CB 3.43Å; T420-Y424 PolarHBondContact O-N 3.46Å; T420-C437 HydrophobicContact CG2-CB 3.77Å; T420-L441 HydrophobicContact CG2-CD1 3.99Å; T420-F451 HydrophobicContact CG2-CE1 4.44Å; T420-F451 HydrophobicContact CG2-CE2 4.34Å; T420-F451 HydrophobicContact CG2-CZ 3.64Å
421L94.9Very high91.9Very high0 Ų039.2 Ų39.20%021%0.212CC..Hα-helixtrans-64.7-44.4174.2-70.7166000111.3F247 M417 R418 K423 Y424 L425 A450 F451 L454 L593F247-L421 HydrophobicContact CD1-CD1 4.08Å; F247-L421 HydrophobicContact CD2-CB 4.02Å; F247-L421 HydrophobicContact CD2-CD1 4.36Å; F247-L421 HydrophobicContact CE1-CD1 3.85Å; F247-L421 HydrophobicContact CE2-CB 4.32Å; F247-L421 HydrophobicContact CE2-CD1 4.15Å; F247-L421 HydrophobicContact CG-CB 4.31Å; F247-L421 HydrophobicContact CG-CD1 4.34Å; F247-L421 HydrophobicContact CZ-CD1 3.89Å; M417-L421 HydrophobicContact CE-CD1 4.13Å; M417-L421 HydrophobicContact CE-CD2 4.27Å; M417-L421 HydrophobicContact CE-CG 4.28Å; M417-L421 HydrophobicContact CG-CD1 4.06Å; M417-L421 VanDerWaalsContact O-CG 3.29Å; M417-L421 WeakPolarHBondContact O-CG 3.41Å; M417-L421 PolarHBondContact O-N 3.13Å; R418-L421 WeakPolarHBondContact O-CB 3.26Å; R418-L421 PolarHBondContact O-N 3.44Å; R418-L421 VanDerWaalsContact O-N 3.09Å; L421-K423 PolarHBondContact O-N 2.84Å; L421-Y424 PolarHBondContact O-N 3.42Å; L421-L425 WeakPolarHBondContact O-CB 3.4Å; L421-L425 VanDerWaalsContact O-CG 3.26Å; L421-L425 WeakPolarHBondContact O-CG 3.43Å; L421-L425 PolarHBondContact O-N 3.06Å; L421-A450 HydrophobicContact CD2-CB 4.43Å; L421-F451 HydrophobicContact CD2-CD1 4.13Å; L421-F451 HydrophobicContact CD2-CD2 4.27Å; L421-F451 HydrophobicContact CD2-CE1 3.71Å; L421-F451 HydrophobicContact CD2-CE2 3.89Å; L421-F451 HydrophobicContact CD2-CG 4.39Å; L421-F451 HydrophobicContact CD2-CZ 3.57Å; L421-F451 HydrophobicContact CG-CE1 4.42Å; L421-F451 HydrophobicContact CG-CE2 4.24Å; L421-F451 HydrophobicContact CG-CZ 3.89Å; L421-L454 HydrophobicContact CD2-CD1 3.42Å; L421-L454 VanDerWaalsContact CD2-CD1 3.42Å; L421-L593 HydrophobicContact CD1-CD1 3.55Å
422V93.9Very high91.8Very high0 Ų040.7 Ų40.70%023%0.227CC..Hα-helixtrans-58.7-47.9174.2172.20000110.3F247 E388 L391 M392 R418 L419 Y424 L425 C426F247-V422 HydrophobicContact CB-CG2 3.78Å; E388-V422 HydrophobicContact CB-CG1 4.2Å; E388-V422 HydrophobicContact CG-CB 4.36Å; E388-V422 HydrophobicContact CG-CG1 4.22Å; E388-V422 HydrophobicContact CG-CG2 4.37Å; L391-V422 HydrophobicContact CB-CG1 4.38Å; M392-V422 HydrophobicContact CG-CG1 3.93Å; R418-V422 WeakPolarHBondContact O-CG2 3.38Å; R418-V422 PolarHBondContact O-N 3.46Å; L419-V422 PolarHBondContact O-N 3.38Å; V422-Y424 VanDerWaalsContact C-N 3.34Å; V422-Y424 PolarHBondContact O-N 2.92Å; V422-L425 PolarHBondContact O-N 3.43Å; V422-C426 WeakPolarHBondContact O-CB 3.34Å; V422-C426 PolarHBondContact O-N 2.84Å
423K93.7Very high91.7Very high37 Ų3743.3 Ų43.316%0.16124%0.239CC..Hα-helixtrans-56.6-48.6175.1-173-179178.8177.40111.4L391 V401 L419 T420 L421 L425 C426 D427 M429L391-K423 HydrophobicContact CD1-CB 3.85Å; L391-K423 HydrophobicContact CD1-CG 4.34Å; L391-K423 HydrophobicContact CD2-CB 4.4Å; L391-K423 HydrophobicContact CD2-CG 4.02Å; V401-K423 HydrophobicContact CB-CD 4Å; V401-K423 HydrophobicContact CG1-CD 4.23Å; V401-K423 HydrophobicContact CG2-CD 3.91Å; L419-K423 PolarHBondContact O-N 2.96Å; T420-K423 PolarHBondContact O-N 3.24Å; L421-K423 PolarHBondContact O-N 2.84Å; K423-L425 VanDerWaalsContact C-N 3.31Å; K423-L425 PolarHBondContact O-N 3.45Å; K423-C426 PolarHBondContact O-N 3.02Å; K423-D427 HydrophobicContact CG-CB 4.45Å; K423-D427 WeakPolarHBondContact O-CA 3.37Å; K423-D427 WeakPolarHBondContact O-CB 3.48Å; K423-D427 PolarHBondContact O-N 3.38Å; K423-M429 HydrophobicContact CB-SD 4.12Å; K423-M429 HydrophobicContact CD-CE 3.84Å; K423-M429 HydrophobicContact CD-CG 4.23Å; K423-M429 HydrophobicContact CD-SD 3.73Å; K423-M429 HydrophobicContact CG-CE 4.43Å; K423-M429 HydrophobicContact CG-CG 4.02Å; K423-M429 HydrophobicContact CG-SD 3.64Å
424Y92.5Very high91.6Very high21 Ų2141 Ų418%0.08222%0.224CC..Hα-helixtrans-64.2-35.3-178.8-178.7-106.3000112.9T420 L421 V422 M429 L434 F451 L454 K458T420-Y424 WeakPolarHBondContact O-CB 3.43Å; T420-Y424 PolarHBondContact O-N 3.46Å; L421-Y424 PolarHBondContact O-N 3.42Å; V422-Y424 VanDerWaalsContact C-N 3.34Å; V422-Y424 PolarHBondContact O-N 2.92Å; Y424-M429 HydrophobicContact CD2-SD 4.32Å; Y424-L434 HydrophobicContact CD2-CD1 4.03Å; Y424-L434 HydrophobicContact CD2-CD2 4.05Å; Y424-L434 HydrophobicContact CE2-CD1 4.48Å; Y424-L434 HydrophobicContact CE2-CD2 3.67Å; Y424-F451 HydrophobicContact CD1-CD1 4.18Å; Y424-F451 HydrophobicContact CD1-CE1 4.17Å; Y424-F451 HydrophobicContact CG-CD1 4.23Å; Y424-F451 AromaticContact CG-CE1 3.92Å; Y424-F451 HydrophobicContact CG-CE1 3.92Å; Y424-L454 HydrophobicContact CD1-CB 4.33Å; Y424-L454 HydrophobicContact CD1-CD1 4.14Å; Y424-L454 HydrophobicContact CE1-CB 3.86Å; Y424-L454 HydrophobicContact CE1-CD1 4.5Å; Y424-K458 HydrophobicContact CE1-CD 3.86Å; Y424-K458 HydrophobicContact CE1-CG 4.41Å; Y424-K458 WeakPolarHBondContact O-CE 3.14Å; Y424-K458 PolarHBondContact O-NZ 3.28Å
425L90.5Very high91.5Very high46 Ų4640.9 Ų40.924%0.24123%0.232CC..Hα-helixtrans-79.7-33.9-179.1-70.1169.4000112.7L243 A244 F247 L421 V422 K423 L454L243-L425 HydrophobicContact CB-CD1 3.93Å; L243-L425 HydrophobicContact CB-CD2 4.31Å; A244-L425 HydrophobicContact CB-CB 4.16Å; A244-L425 HydrophobicContact CB-CD1 4.16Å; F247-L425 HydrophobicContact CD2-CD1 4.01Å; F247-L425 HydrophobicContact CE2-CD1 4.15Å; L421-L425 WeakPolarHBondContact O-CB 3.4Å; L421-L425 VanDerWaalsContact O-CG 3.26Å; L421-L425 WeakPolarHBondContact O-CG 3.43Å; L421-L425 PolarHBondContact O-N 3.06Å; V422-L425 PolarHBondContact O-N 3.43Å; K423-L425 VanDerWaalsContact C-N 3.31Å; K423-L425 PolarHBondContact O-N 3.45Å; L425-L454 HydrophobicContact CD1-CD1 4.49Å; L425-L454 HydrophobicContact CD2-CD1 4.14Å; L425-L454 HydrophobicContact CD2-CD2 4.19Å; L425-L454 HydrophobicContact CG-CD1 4.33Å
426C87Confident91.5Very high35 Ų3542.8 Ų42.824%0.23625%0.247CC..Hα-helixtrans-97.2-24.7-174.3-63.80000114.7V422 K423V422-C426 WeakPolarHBondContact O-CB 3.34Å; V422-C426 PolarHBondContact O-N 2.84Å; K423-C426 PolarHBondContact O-N 3.02Å
427D82Confident91.4Very high76 Ų7642.5 Ų42.541%0.40625%0.246SC..SBendtrans-123.4152.4-175-166.521.1000112.3K423 M429K423-D427 HydrophobicContact CG-CB 4.45Å; K423-D427 WeakPolarHBondContact O-CA 3.37Å; K423-D427 WeakPolarHBondContact O-CB 3.48Å; K423-D427 PolarHBondContact O-N 3.38Å; D427-M429 PolarHBondContact O-N 3.16Å; D427-M429 VanDerWaalsContact O-N 3.14Å
428E75.9Confident91.4Very high177 Ų17743.2 Ų43.283%0.82725%0.25SS*.  trans-81.192.5175.2-75.9-172.8-176.400109.6
429M85.2Confident91.4Very high26 Ų2649.5 Ų49.513%0.12828%0.279CS..  trans-79.9135.5173.6-62.7-173.867.900111.3K423 Y424 D427 D433 L434K423-M429 HydrophobicContact CB-SD 4.12Å; K423-M429 HydrophobicContact CD-CE 3.84Å; K423-M429 HydrophobicContact CD-CG 4.23Å; K423-M429 HydrophobicContact CD-SD 3.73Å; K423-M429 HydrophobicContact CG-CE 4.43Å; K423-M429 HydrophobicContact CG-CG 4.02Å; K423-M429 HydrophobicContact CG-SD 3.64Å; Y424-M429 HydrophobicContact CD2-SD 4.32Å; D427-M429 PolarHBondContact O-N 3.16Å; D427-M429 VanDerWaalsContact O-N 3.14Å; M429-D433 HydrophobicContact CE-CB 4.22Å; M429-L434 HydrophobicContact CE-CB 4.36Å; M429-L434 HydrophobicContact CE-CD1 4.44Å
430T88.4Confident91.4Very high80 Ų8050 Ų5049%0.49128%0.283SS..  trans-67.9153.7167.671.70000110.5G432 D433 L434T430-G432 PolarHBondContact O-N 2.74Å; T430-D433 PolarHBondContact O-N 2.89Å; T430-D433 VanDerWaalsContact O-N 3.16Å; T430-D433 WeakPolarHBondContact OG1-CB 3.34Å; T430-D433 PolarHBondContact OG1-N 3.15Å; T430-D433 VanDerWaalsContact OG1-N 3.12Å; T430-D433 PolarHBondContact OG1-OD2 2.96Å; T430-L434 PolarHBondContact O-N 3.33Å
431D87.7Confident91.4Very high140 Ų14050 Ų5075%0.74928%0.283SS*.Hα-helixtrans-58.2-33.2176.5-75.2-30000112S435D431-S435 VanDerWaalsContact O-CB 3.3Å; D431-S435 WeakPolarHBondContact O-CB 3.41Å; D431-S435 PolarHBondContact O-N 3.31Å
432G91.7Very high91.5Very high50 Ų5054.8 Ų54.852%0.51531%0.306SS..Hα-helixtrans-66.4-47.6175.200000112.7T430 L434 S435 A436T430-G432 PolarHBondContact O-N 2.74Å; G432-L434 VanDerWaalsContact C-N 3.33Å; G432-L434 PolarHBondContact O-N 3.06Å; G432-S435 PolarHBondContact O-N 2.89Å; G432-A436 PolarHBondContact O-N 3Å
433D92.1Very high91.6Very high80 Ų8058.6 Ų58.643%0.42834%0.337SS..Hα-helixtrans-63.1-41.7177.8-65.2-40.5000111.5M429 T430 A436 C437M429-D433 HydrophobicContact CE-CB 4.22Å; T430-D433 PolarHBondContact O-N 2.89Å; T430-D433 VanDerWaalsContact O-N 3.16Å; T430-D433 WeakPolarHBondContact OG1-CB 3.34Å; T430-D433 PolarHBondContact OG1-N 3.15Å; T430-D433 VanDerWaalsContact OG1-N 3.12Å; T430-D433 PolarHBondContact OG1-OD2 2.96Å; D433-A436 PolarHBondContact O-N 3.37Å; D433-C437 PolarHBondContact O-N 2.87Å; D433-C437 PolarHBondContact O-SG 2.93Å
434L93.2Very high91.6Very high3 Ų359.5 Ų59.52%0.01634%0.343CS..Hα-helixtrans-62.4-49.8175.7-179.961.8000110.3Y424 M429 T430 G432 A436 C437 L438 F451Y424-L434 HydrophobicContact CD2-CD1 4.03Å; Y424-L434 HydrophobicContact CD2-CD2 4.05Å; Y424-L434 HydrophobicContact CE2-CD1 4.48Å; Y424-L434 HydrophobicContact CE2-CD2 3.67Å; M429-L434 HydrophobicContact CE-CB 4.36Å; M429-L434 HydrophobicContact CE-CD1 4.44Å; T430-L434 PolarHBondContact O-N 3.33Å; G432-L434 VanDerWaalsContact C-N 3.33Å; G432-L434 PolarHBondContact O-N 3.06Å; L434-A436 VanDerWaalsContact C-N 3.26Å; L434-A436 PolarHBondContact O-N 2.84Å; L434-C437 PolarHBondContact O-N 3.36Å; L434-C437 VanDerWaalsContact O-N 3.11Å; L434-L438 HydrophobicContact CD1-CD1 4.32Å; L434-L438 HydrophobicContact CD1-CD2 4.27Å; L434-L438 HydrophobicContact CD1-CG 4.1Å; L434-L438 HydrophobicContact CG-CD1 4.03Å; L434-L438 HydrophobicContact CG-CG 4.22Å; L434-L438 VanDerWaalsContact O-CG 3.3Å; L434-L438 WeakPolarHBondContact O-CG 3.45Å; L434-L438 PolarHBondContact O-N 2.94Å; L434-F451 HydrophobicContact CD1-CD1 3.99Å; L434-F451 HydrophobicContact CD1-CE1 3.89Å
435S95Very high91.5Very high76 Ų7661.6 Ų61.653%0.53137%0.371SS..Hα-helixtrans-58.2-38.4179.1-169.20000112.4D431 G432 H439D431-S435 VanDerWaalsContact O-CB 3.3Å; D431-S435 WeakPolarHBondContact O-CB 3.41Å; D431-S435 PolarHBondContact O-N 3.31Å; G432-S435 PolarHBondContact O-N 2.89Å; S435-H439 WeakPolarHBondContact O-CB 3.39Å; S435-H439 PolarHBondContact O-N 2.67Å
436A96.1Very high91.7Very high40 Ų4060.1 Ų60.133%0.33137%0.365SS..Hα-helixtrans-65.9-41.3176.400000112.3L402 G432 D433 L434 A440L402-A436 HydrophobicContact CD1-CB 4.4Å; L402-A436 HydrophobicContact CD2-CB 4.27Å; G432-A436 PolarHBondContact O-N 3Å; D433-A436 PolarHBondContact O-N 3.37Å; L434-A436 VanDerWaalsContact C-N 3.26Å; L434-A436 PolarHBondContact O-N 2.84Å; A436-A440 WeakPolarHBondContact O-CB 3.29Å; A436-A440 PolarHBondContact O-N 3.43Å; A436-A440 VanDerWaalsContact O-N 3.12Å
437C95.6Very high91.9Very high2 Ų262.6 Ų62.61%0.01438%0.375CS..Hα-helixtrans-66.6-43.6176-630000111.4I405 T420 D433 L434 H439 A440 L441I405-C437 HydrophobicContact CD1-CB 3.88Å; T420-C437 HydrophobicContact CG2-CB 3.77Å; D433-C437 PolarHBondContact O-N 2.87Å; D433-C437 PolarHBondContact O-SG 2.93Å; L434-C437 PolarHBondContact O-N 3.36Å; L434-C437 VanDerWaalsContact O-N 3.11Å; C437-H439 PolarHBondContact O-N 3.3Å; C437-A440 PolarHBondContact O-N 3.3Å; C437-L441 WeakPolarHBondContact O-CG 3.43Å; C437-L441 PolarHBondContact O-N 2.83Å
438L96Very high92.5Very high19 Ų1960 Ų6010%0.09936%0.362CS..Hα-helixtrans-61.1-45.8178.2-65.1-179.5000111.8L434 A440 L441 E442 T448 F451L434-L438 HydrophobicContact CD1-CD1 4.32Å; L434-L438 HydrophobicContact CD1-CD2 4.27Å; L434-L438 HydrophobicContact CD1-CG 4.1Å; L434-L438 HydrophobicContact CG-CD1 4.03Å; L434-L438 HydrophobicContact CG-CG 4.22Å; L434-L438 VanDerWaalsContact O-CG 3.3Å; L434-L438 WeakPolarHBondContact O-CG 3.45Å; L434-L438 PolarHBondContact O-N 2.94Å; L438-A440 VanDerWaalsContact C-N 3.28Å; L438-A440 PolarHBondContact O-N 2.66Å; L438-L441 PolarHBondContact O-N 2.8Å; L438-E442 WeakPolarHBondContact O-CG 3.42Å; L438-E442 PolarHBondContact O-N 3.25Å; L438-T448 HydrophobicContact CD2-CG2 4.01Å; L438-F451 HydrophobicContact CD2-CB 4.19Å; L438-F451 HydrophobicContact CD2-CD1 4.31Å; L438-F451 HydrophobicContact CD2-CD2 3.2Å; L438-F451 HydrophobicContact CD2-CE2 3.49Å; L438-F451 VanDerWaalsContact CD2-CE2 3.49Å; L438-F451 HydrophobicContact CD2-CG 3.65Å; L438-F451 HydrophobicContact CD2-CZ 4.19Å
439H96.6Very high93.4Very high132 Ų13252.2 Ų52.261%0.61133%0.327SS*.Hα-helixtrans-62.5-37176.4-176.2-78.4000112S435 C437 A443S435-H439 WeakPolarHBondContact O-CB 3.39Å; S435-H439 PolarHBondContact O-N 2.67Å; C437-H439 PolarHBondContact O-N 3.3Å; H439-A443 WeakPolarHBondContact O-CB 3.4Å; H439-A443 PolarHBondContact O-N 2.87Å; H439-A443 VanDerWaalsContact O-N 3.07Å
440A96.3Very high93.9Very high10 Ų1051 Ų518%0.08332%0.321CS..Hα-helixtrans-68.1-36.3175.800000112.5L402 I405 K406 A436 C437 L438L402-A440 HydrophobicContact CD1-CB 3.87Å; I405-A440 HydrophobicContact CB-CB 4.42Å; I405-A440 HydrophobicContact CG2-CB 3.65Å; K406-A440 HydrophobicContact CG-CB 4.32Å; A436-A440 WeakPolarHBondContact O-CB 3.29Å; A436-A440 PolarHBondContact O-N 3.43Å; A436-A440 VanDerWaalsContact O-N 3.12Å; C437-A440 PolarHBondContact O-N 3.3Å; L438-A440 VanDerWaalsContact C-N 3.28Å; L438-A440 PolarHBondContact O-N 2.66Å
441L96.3Very high94.1Very high0 Ų047.2 Ų47.20%030%0.298CS..Hα-helixtrans-68.6-44.1174.7-72.9167.7000111.9I405 K416 M417 T420 C437 L438 A443 I444 G445 C446 T448 F451I405-L441 HydrophobicContact CD1-CG 4.38Å; I405-L441 HydrophobicContact CG1-CD2 4.46Å; I405-L441 HydrophobicContact CG2-CD2 3.9Å; I405-L441 HydrophobicContact CG2-CG 4.05Å; K416-L441 HydrophobicContact CB-CD2 3.87Å; M417-L441 HydrophobicContact CB-CD2 4.48Å; M417-L441 HydrophobicContact SD-CD1 3.81Å; T420-L441 HydrophobicContact CG2-CD1 3.99Å; C437-L441 WeakPolarHBondContact O-CG 3.43Å; C437-L441 PolarHBondContact O-N 2.83Å; L438-L441 PolarHBondContact O-N 2.8Å; L441-A443 VanDerWaalsContact C-N 3.27Å; L441-A443 PolarHBondContact O-N 3.27Å; L441-I444 HydrophobicContact CD2-CD1 4.41Å; L441-I444 WeakPolarHBondContact O-CG1 3.39Å; L441-I444 PolarHBondContact O-N 2.81Å; L441-I444 VanDerWaalsContact O-N 3.15Å; L441-G445 PolarHBondContact O-N 3.44Å; L441-C446 HydrophobicContact CB-CB 3.96Å; L441-C446 HydrophobicContact CD2-CB 4.37Å; L441-C446 WeakPolarHBondContact O-CB 3.31Å; L441-C446 PolarHBondContact O-N 3.37Å; L441-T448 HydrophobicContact CB-CG2 3.95Å; L441-F451 HydrophobicContact CD1-CE2 4.23Å
442E96.2Very high94.4Very high101 Ų10145.5 Ų45.547%0.47228%0.284SS..Hα-helixtrans-62-36.9176.5-73.9165.7-17000111.5L438 I444 G445 T448L438-E442 WeakPolarHBondContact O-CG 3.42Å; L438-E442 PolarHBondContact O-N 3.25Å; E442-I444 PolarHBondContact O-N 2.71Å; E442-G445 PolarHBondContact O-N 3.07Å; E442-T448 HydrophobicContact CG-CG2 3.71Å; E442-T448 PolarHBondContact OE1-OG1 3.04Å
443A95.2Very high94.4Very high79 Ų7944.2 Ų44.265%0.65326%0.264SS*.Hα-helixtrans-64.1-22.5177.400000114H439 L441H439-A443 WeakPolarHBondContact O-CB 3.4Å; H439-A443 PolarHBondContact O-N 2.87Å; H439-A443 VanDerWaalsContact O-N 3.07Å; L441-A443 VanDerWaalsContact C-N 3.27Å; L441-A443 PolarHBondContact O-N 3.27Å
444I94Very high94.3Very high56 Ų5640.5 Ų40.529%0.28724%0.244SC..THydrogen-bonded Turntrans-101.110.6174.763.1170.3000112.7I405 K416 L441 E442I405-I444 HydrophobicContact CG2-CD1 4.45Å; K416-I444 HydrophobicContact CB-CD1 4.36Å; K416-I444 HydrophobicContact CD-CD1 3.38Å; L441-I444 HydrophobicContact CD2-CD1 4.41Å; L441-I444 WeakPolarHBondContact O-CG1 3.39Å; L441-I444 PolarHBondContact O-N 2.81Å; L441-I444 VanDerWaalsContact O-N 3.15Å; E442-I444 PolarHBondContact O-N 2.71Å
445G91.4Very high94.1Very high66 Ų6644.3 Ų44.368%0.6826%0.261SS*.THydrogen-bonded Turntrans83.311.617600000115.3L441 E442L441-G445 PolarHBondContact O-N 3.44Å; E442-G445 PolarHBondContact O-N 3.07Å
446C93.1Very high93.7Very high15 Ų1545.9 Ų45.910%0.10126%0.255CS..  trans-69.8136.6175.1-63.40000111.2P413 L441 T448P413-C446 VanDerWaalsContact CA-SG 3.6Å; P413-C446 WeakPolarHBondContact CB-SG 3.25Å; P413-C446 PolarHBondContact O-SG 3.02Å; L441-C446 HydrophobicContact CB-CB 3.96Å; L441-C446 HydrophobicContact CD2-CB 4.37Å; L441-C446 WeakPolarHBondContact O-CB 3.31Å; L441-C446 PolarHBondContact O-N 3.37Å; C446-T448 PolarHBondContact O-N 3.37Å
447N92.5Very high93.1Very high86 Ų8645.7 Ų45.746%0.4625%0.25SC..  trans-76.1112.9166.7-173.4-21.6000110.1S449 T597N447-S449 VanDerWaalsContact C-N 3.35Å; N447-S449 WeakPolarHBondContact OD1-CB 3.13Å; N447-S449 PolarHBondContact OD1-N 3.02Å; N447-S449 PolarHBondContact OD1-OG 2.87Å; N447-S449 VanDerWaalsContact OD1-OG 3.04Å; N447-T597 HydrophobicContact CB-CG2 3.92Å; N447-T597 VanDerWaalsContact ND2-CG2 3.28Å; N447-T597 WeakPolarHBondContact ND2-CG2 3.47Å
448T94.8Very high92.3Very high22 Ų2249.2 Ų49.214%0.13527%0.265CS..  trans-88.54.7-17854.50000114L438 L441 E442 C446 A450 F451L438-T448 HydrophobicContact CD2-CG2 4.01Å; L441-T448 HydrophobicContact CB-CG2 3.95Å; E442-T448 HydrophobicContact CG-CG2 3.71Å; E442-T448 PolarHBondContact OE1-OG1 3.04Å; C446-T448 PolarHBondContact O-N 3.37Å; T448-A450 PolarHBondContact O-N 3.17Å; T448-A450 VanDerWaalsContact O-N 3.11Å; T448-F451 PolarHBondContact O-N 3.24Å
449S95.2Very high91.3Very high13 Ų1354.8 Ų54.89%0.09129%0.29CS..THydrogen-bonded Turntrans-55.6-31.6-177.4-76.30000113.6N447 F451 K452 T597 G600 S601N447-S449 VanDerWaalsContact C-N 3.35Å; N447-S449 WeakPolarHBondContact OD1-CB 3.13Å; N447-S449 PolarHBondContact OD1-N 3.02Å; N447-S449 PolarHBondContact OD1-OG 2.87Å; N447-S449 VanDerWaalsContact OD1-OG 3.04Å; S449-F451 PolarHBondContact O-N 3.49Å; S449-F451 VanDerWaalsContact O-N 3.07Å; S449-K452 VanDerWaalsContact O-CB 3.26Å; S449-K452 WeakPolarHBondContact O-CB 3.2Å; S449-K452 PolarHBondContact O-N 2.92Å; S449-T597 WeakPolarHBondContact CB-O 3.28Å; S449-G600 VanDerWaalsContact O-CA 3.28Å; S449-G600 WeakPolarHBondContact O-CA 3.37Å; S449-S601 VanDerWaalsContact CB-OG 3.32Å; S449-S601 WeakPolarHBondContact CB-OG 3.16Å; S449-S601 PolarHBondContact OG-OG 2.89Å
450A94.6Very high89.8Confident0 Ų054.9 Ų54.90%029%0.289CS..Hα-helixtrans-52.7-33.517600000113.1M417 L421 T448 K452 Y453 L454 L593 L596M417-A450 HydrophobicContact CE-CB 3.73Å; L421-A450 HydrophobicContact CD2-CB 4.43Å; T448-A450 PolarHBondContact O-N 3.17Å; T448-A450 VanDerWaalsContact O-N 3.11Å; A450-K452 VanDerWaalsContact C-N 3.34Å; A450-K452 PolarHBondContact O-N 3.37Å; A450-Y453 PolarHBondContact O-N 3.19Å; A450-L454 PolarHBondContact O-N 3.12Å; A450-L593 HydrophobicContact CB-CD1 4.25Å; A450-L596 HydrophobicContact CB-CB 3.93Å
451F93.5Very high88.1Confident2 Ų256.8 Ų56.81%0.00930%0.302CS..Hα-helixtrans-70.1-26.6176.2-74-80.6000113.7M417 T420 L421 Y424 L434 L438 L441 T448 S449 Y453 L454 K455M417-F451 HydrophobicContact CE-CD2 3.55Å; M417-F451 HydrophobicContact CE-CE2 3.41Å; M417-F451 VanDerWaalsContact CE-CE2 3.41Å; M417-F451 HydrophobicContact CE-CZ 4.49Å; M417-F451 HydrophobicContact SD-CD2 4.26Å; M417-F451 HydrophobicContact SD-CE2 3.61Å; T420-F451 HydrophobicContact CG2-CE1 4.44Å; T420-F451 HydrophobicContact CG2-CE2 4.34Å; T420-F451 HydrophobicContact CG2-CZ 3.64Å; L421-F451 HydrophobicContact CD2-CD1 4.13Å; L421-F451 HydrophobicContact CD2-CD2 4.27Å; L421-F451 HydrophobicContact CD2-CE1 3.71Å; L421-F451 HydrophobicContact CD2-CE2 3.89Å; L421-F451 HydrophobicContact CD2-CG 4.39Å; L421-F451 HydrophobicContact CD2-CZ 3.57Å; L421-F451 HydrophobicContact CG-CE1 4.42Å; L421-F451 HydrophobicContact CG-CE2 4.24Å; L421-F451 HydrophobicContact CG-CZ 3.89Å; Y424-F451 HydrophobicContact CD1-CD1 4.18Å; Y424-F451 HydrophobicContact CD1-CE1 4.17Å; Y424-F451 HydrophobicContact CG-CD1 4.23Å; Y424-F451 AromaticContact CG-CE1 3.92Å; Y424-F451 HydrophobicContact CG-CE1 3.92Å; L434-F451 HydrophobicContact CD1-CD1 3.99Å; L434-F451 HydrophobicContact CD1-CE1 3.89Å; L438-F451 HydrophobicContact CD2-CB 4.19Å; L438-F451 HydrophobicContact CD2-CD1 4.31Å; L438-F451 HydrophobicContact CD2-CD2 3.2Å; L438-F451 HydrophobicContact CD2-CE2 3.49Å; L438-F451 VanDerWaalsContact CD2-CE2 3.49Å; L438-F451 HydrophobicContact CD2-CG 3.65Å; L438-F451 HydrophobicContact CD2-CZ 4.19Å; L441-F451 HydrophobicContact CD1-CE2 4.23Å; T448-F451 PolarHBondContact O-N 3.24Å; S449-F451 PolarHBondContact O-N 3.49Å; S449-F451 VanDerWaalsContact O-N 3.07Å; F451-Y453 VanDerWaalsContact C-N 3.34Å; F451-L454 PolarHBondContact O-N 3.16Å; F451-K455 VanDerWaalsContact O-CB 3.31Å; F451-K455 WeakPolarHBondContact O-CB 3.3Å; F451-K455 VanDerWaalsContact O-CG 3.22Å; F451-K455 WeakPolarHBondContact O-CG 3.43Å; F451-K455 PolarHBondContact O-N 3.03Å
452K92.4Very high85.8Confident104 Ų10461.2 Ų61.245%0.45233%0.333SS..Hα-helixtrans-62.7-45.8173.3-62.7174.4174.8177.80110.2S449 A450 R456 G600S449-K452 VanDerWaalsContact O-CB 3.26Å; S449-K452 WeakPolarHBondContact O-CB 3.2Å; S449-K452 PolarHBondContact O-N 2.92Å; A450-K452 VanDerWaalsContact C-N 3.34Å; A450-K452 PolarHBondContact O-N 3.37Å; K452-R456 PolarHBondContact O-N 2.98Å; K452-G600 VanDerWaalsContact CD-O 3.28Å; K452-G600 WeakPolarHBondContact CD-O 3.36Å
453Y91.6Very high82.8Confident22 Ų2265 Ų659%0.08635%0.348CS..Hα-helixtrans-61.8-50.6174.6-178.5-102.5000111.6F149 A450 F451 K455 R456 V457 L596 L599 I603F149-Y453 AromaticContact CE1-CE1 3.79Å; F149-Y453 HydrophobicContact CE1-CE1 3.79Å; F149-Y453 HydrophobicContact CZ-CE1 4.21Å; A450-Y453 PolarHBondContact O-N 3.19Å; F451-Y453 VanDerWaalsContact C-N 3.34Å; Y453-K455 VanDerWaalsContact C-N 3.34Å; Y453-K455 PolarHBondContact O-N 3.15Å; Y453-R456 WeakPolarHBondContact O-CB 3.43Å; Y453-R456 PolarHBondContact O-N 3.12Å; Y453-R456 VanDerWaalsContact O-N 3.09Å; Y453-V457 HydrophobicContact CD1-CG2 3.97Å; Y453-V457 HydrophobicContact CE1-CG2 3.5Å; Y453-V457 VanDerWaalsContact CE1-CG2 3.5Å; Y453-V457 HydrophobicContact CE2-CG2 4.13Å; Y453-V457 HydrophobicContact CG-CG2 4.46Å; Y453-V457 WeakPolarHBondContact O-CG2 3.41Å; Y453-V457 PolarHBondContact O-N 3.22Å; Y453-L596 HydrophobicContact CD1-CD2 4.35Å; Y453-L596 HydrophobicContact CD1-CG 4.3Å; Y453-L599 HydrophobicContact CD1-CD1 4.31Å; Y453-L599 HydrophobicContact CD2-CB 3.63Å; Y453-L599 HydrophobicContact CD2-CD1 4.13Å; Y453-L599 HydrophobicContact CD2-CG 4.39Å; Y453-L599 HydrophobicContact CE1-CD1 3.95Å; Y453-L599 HydrophobicContact CE2-CB 4.07Å; Y453-L599 HydrophobicContact CE2-CD1 3.77Å; Y453-L599 HydrophobicContact CE2-CG 4.34Å; Y453-L599 HydrophobicContact CG-CB 3.91Å; Y453-L599 HydrophobicContact CG-CD1 4.39Å; Y453-I603 HydrophobicContact CD2-CD1 3.84Å; Y453-I603 HydrophobicContact CG-CD1 4.49Å
454L90.5Very high80Confident2 Ų268.2 Ų68.21%0.0135%0.354CS..Hα-helixtrans-63.8-35.4-179-69-177000113.7L243 L421 Y424 L425 A450 F451 R456 V457 K458 L596L243-L454 HydrophobicContact CD1-CD2 3.69Å; L421-L454 HydrophobicContact CD2-CD1 3.42Å; L421-L454 VanDerWaalsContact CD2-CD1 3.42Å; Y424-L454 HydrophobicContact CD1-CB 4.33Å; Y424-L454 HydrophobicContact CD1-CD1 4.14Å; Y424-L454 HydrophobicContact CE1-CB 3.86Å; Y424-L454 HydrophobicContact CE1-CD1 4.5Å; L425-L454 HydrophobicContact CD1-CD1 4.49Å; L425-L454 HydrophobicContact CD2-CD1 4.14Å; L425-L454 HydrophobicContact CD2-CD2 4.19Å; L425-L454 HydrophobicContact CG-CD1 4.33Å; A450-L454 PolarHBondContact O-N 3.12Å; F451-L454 PolarHBondContact O-N 3.16Å; L454-R456 VanDerWaalsContact C-N 3.32Å; L454-R456 PolarHBondContact O-N 3.16Å; L454-V457 PolarHBondContact O-N 2.93Å; L454-K458 PolarHBondContact O-N 3.11Å; L454-L596 HydrophobicContact CD1-CD2 4.33Å; L454-L596 HydrophobicContact CD2-CD2 3.75Å; L454-L596 HydrophobicContact CG-CD2 3.98Å
455K89.7Confident77.1Confident84 Ų8471 Ų7137%0.36537%0.368SS..Hα-helixtrans-59.7-44.5172.7-79.7175.7-179.1-176.90110.9F451 Y453 K458 Q459F451-K455 VanDerWaalsContact O-CB 3.31Å; F451-K455 WeakPolarHBondContact O-CB 3.3Å; F451-K455 VanDerWaalsContact O-CG 3.22Å; F451-K455 WeakPolarHBondContact O-CG 3.43Å; F451-K455 PolarHBondContact O-N 3.03Å; Y453-K455 VanDerWaalsContact C-N 3.34Å; Y453-K455 PolarHBondContact O-N 3.15Å; K455-K458 PolarHBondContact O-N 3.42Å; K455-Q459 VanDerWaalsContact O-CG 3.27Å; K455-Q459 WeakPolarHBondContact O-CG 3.26Å; K455-Q459 PolarHBondContact O-N 2.98Å; K455-Q459 VanDerWaalsContact O-N 3.09Å
456R85.8Confident74Confident108 Ų10876.2 Ų76.241%0.40838%0.38SS..Hα-helixtrans-61.1-49.8175.1-175.4176.6176160.2-2.6110.8K452 Y453 L454 K458 Q459 F460 I603K452-R456 PolarHBondContact O-N 2.98Å; Y453-R456 WeakPolarHBondContact O-CB 3.43Å; Y453-R456 PolarHBondContact O-N 3.12Å; Y453-R456 VanDerWaalsContact O-N 3.09Å; L454-R456 VanDerWaalsContact C-N 3.32Å; L454-R456 PolarHBondContact O-N 3.16Å; R456-K458 PolarHBondContact O-N 2.96Å; R456-Q459 WeakPolarHBondContact O-CB 3.34Å; R456-Q459 PolarHBondContact O-N 3.31Å; R456-Q459 VanDerWaalsContact O-N 3.16Å; R456-F460 HydrophobicContact CG-CD2 3.91Å; R456-F460 HydrophobicContact CG-CE2 3.64Å; R456-F460 WeakPolarHBondContact O-CD2 3.41Å; R456-F460 PolarHBondContact O-N 3.47Å; R456-F460 VanDerWaalsContact O-N 3.15Å; R456-I603 HydrophobicContact CB-CD1 4.4Å
457V82.7Confident70.9Confident37 Ų3779.8 Ų79.822%0.22441%0.405CS..Hα-helixtrans-58.5-46.5178.7175.40000111.6Y453 L454 Q459 F460 S461Y453-V457 HydrophobicContact CD1-CG2 3.97Å; Y453-V457 HydrophobicContact CE1-CG2 3.5Å; Y453-V457 VanDerWaalsContact CE1-CG2 3.5Å; Y453-V457 HydrophobicContact CE2-CG2 4.13Å; Y453-V457 HydrophobicContact CG-CG2 4.46Å; Y453-V457 WeakPolarHBondContact O-CG2 3.41Å; Y453-V457 PolarHBondContact O-N 3.22Å; L454-V457 PolarHBondContact O-N 2.93Å; V457-Q459 VanDerWaalsContact C-N 3.31Å; V457-Q459 PolarHBondContact O-N 3.19Å; V457-F460 PolarHBondContact O-N 3.42Å; V457-F460 VanDerWaalsContact O-N 3.14Å; V457-S461 PolarHBondContact O-N 2.73Å
458K79.4Confident68.2Low76 Ų7678.5 Ų78.533%0.3340%0.398SS..Hα-helixtrans-60.7-38.3177-82-159.9-177.6179.60112.5Y424 L454 K455 R456 F460 S461 S462Y424-K458 HydrophobicContact CE1-CD 3.86Å; Y424-K458 HydrophobicContact CE1-CG 4.41Å; Y424-K458 WeakPolarHBondContact O-CE 3.14Å; Y424-K458 PolarHBondContact O-NZ 3.28Å; L454-K458 PolarHBondContact O-N 3.11Å; K455-K458 PolarHBondContact O-N 3.42Å; R456-K458 PolarHBondContact O-N 2.96Å; K458-F460 VanDerWaalsContact C-N 3.31Å; K458-F460 PolarHBondContact O-N 2.88Å; K458-S461 PolarHBondContact O-N 3.01Å; K458-S462 VanDerWaalsContact O-CB 3.31Å; K458-S462 WeakPolarHBondContact O-CB 3.3Å; K458-S462 PolarHBondContact O-N 3.06Å
459Q75.3Confident65.2Low136 Ų13687.6 Ų87.664%0.63643%0.43SS*.Hα-helixtrans-63.7-35.9176.4-72.5170.5-000112.4K455 R456 V457K455-Q459 VanDerWaalsContact O-CG 3.27Å; K455-Q459 WeakPolarHBondContact O-CG 3.26Å; K455-Q459 PolarHBondContact O-N 2.98Å; K455-Q459 VanDerWaalsContact O-N 3.09Å; R456-Q459 WeakPolarHBondContact O-CB 3.34Å; R456-Q459 PolarHBondContact O-N 3.31Å; R456-Q459 VanDerWaalsContact O-N 3.16Å; V457-Q459 VanDerWaalsContact C-N 3.31Å; V457-Q459 PolarHBondContact O-N 3.19Å
460F65.2Low62.3Low134 Ų13493.5 Ų93.559%0.58846%0.456SS*.Hα-helixtrans-75.6-43.6174.8-76.8-74.8000112.2R456 V457 K458 K463R456-F460 HydrophobicContact CG-CD2 3.91Å; R456-F460 HydrophobicContact CG-CE2 3.64Å; R456-F460 WeakPolarHBondContact O-CD2 3.41Å; R456-F460 PolarHBondContact O-N 3.47Å; R456-F460 VanDerWaalsContact O-N 3.15Å; V457-F460 PolarHBondContact O-N 3.42Å; V457-F460 VanDerWaalsContact O-N 3.14Å; K458-F460 VanDerWaalsContact C-N 3.31Å; K458-F460 PolarHBondContact O-N 2.88Å; F460-K463 PolarHBondContact O-N 2.96Å
461S61.3Low59.1Low50 Ų50101.8 Ų101.835%0.3549%0.494SS..Hα-helixtrans-67.7-35.4178.1-79.50000113.3V457 K458 K463 N464 L465V457-S461 PolarHBondContact O-N 2.73Å; K458-S461 PolarHBondContact O-N 3.01Å; S461-K463 PolarHBondContact O-N 3.1Å; S461-K463 VanDerWaalsContact O-N 3.16Å; S461-N464 CarbonylContact O-C 3.42Å; S461-N464 PolarHBondContact O-N 3.19Å; S461-L465 WeakPolarHBondContact O-CB 3.41Å; S461-L465 PolarHBondContact O-N 3.18Å
462S47.3Very low56.1Low93 Ų93106.9 Ų106.965%0.6553%0.53SS*.THydrogen-bonded Turntrans-61.4-23.4175.8-114.10000113.2K458 N464K458-S462 VanDerWaalsContact O-CB 3.31Å; K458-S462 WeakPolarHBondContact O-CB 3.3Å; K458-S462 PolarHBondContact O-N 3.06Å; S462-N464 VanDerWaalsContact C-N 3.33Å
463K33.3Very low52.9Low181 Ų181108 Ų10879%0.78755%0.551SS**THydrogen-bonded Turntrans-77.9-16.8172.5-73-175.5177.5178.20113.5F460 S461F460-K463 PolarHBondContact O-N 2.96Å; S461-K463 PolarHBondContact O-N 3.1Å; S461-K463 VanDerWaalsContact O-N 3.16Å
464N35.8Very low49.9Very low145 Ų145109.1 Ų109.178%0.77557%0.57SS**THydrogen-bonded Turntrans-115.7-6.1-176.8-78.6-8.2000115.1S461 S462S461-N464 CarbonylContact O-C 3.42Å; S461-N464 PolarHBondContact O-N 3.19Å; S462-N464 VanDerWaalsContact C-N 3.33Å
465L33.6Very low46.8Very low114 Ų114111.3 Ų111.360%0.59759%0.593SS**  trans-132.152.1-169.2-81.1147.1000114.5S461 S467S461-L465 WeakPolarHBondContact O-CB 3.41Å; S461-L465 PolarHBondContact O-N 3.18Å; L465-S467 PolarHBondContact O-N 3.2Å
466L26.6Very low43.8Very low176 Ų176110 Ų11092%0.92160%0.603SS**SBendtrans-74.79.1167.4-86.1168.1000114.2
467S28Very low41.3Very low90 Ų90107.9 Ų107.963%0.62960%0.602SS**  trans-155.395.1179.255.70000112.2L465L465-S467 PolarHBondContact O-N 3.2Å
468N34.5Very low38.7Very low60 Ų60114.4 Ų114.432%0.32163%0.628SS.*  -168110123.4-116.811.5000112.9
469R33.2Very low36.6Very low213 Ų213116 Ų11680%0.80464%0.644SS**  trans-112.493.1173.3-75.7179173.2178.3-3108.2H471R469-H471 PolarHBondContact O-ND1 3.31Å
470H33.4Very low34.5Very low137 Ų137114.5 Ų114.563%0.63464%0.639SS**  trans-119.598.9164.5-69.2-51.9000107.8
471H27.4Very low32.7Very low173 Ų173112.1 Ų112.180%0.80165%0.652SS**  49.285.790.6-72.178.9000112.7R469R469-H471 PolarHBondContact O-ND1 3.31Å
472S30.7Very low31.2Very low109 Ų109116 Ų11676%0.76267%0.667SS**  trans-131.2117.7154.1-65.90000107.5G474S472-G474 PolarHBondContact O-N 3.2Å
473S26.4Very low30.5Very low127 Ų127116.6 Ų116.689%0.88866%0.657SS**  trans-62113.2-177.7157.60000110.8
474G26.8Very low30.4Very low47 Ų47113.2 Ų113.249%0.48566%0.657SS.*PPolyproline II helixtrans-76120.7173.600000112.1S472S472-G474 PolarHBondContact O-N 3.2Å
475G25.4Very low30.4Very low48 Ų48116 Ų11650%0.49566%0.662SS.*PPolyproline II helixtrans-89.9131.9159.300000109Q504G475-Q504 PolarHBondContact O-NE2 3.36Å
476G27.1Very low30.5Very low56 Ų56114.7 Ų114.758%0.57766%0.655SS**PPolyproline II helixtrans-59.4149.5-174.500000114.4K478G476-K478 PolarHBondContact O-N 3.36Å
477T33.6Very low30.8Very low64 Ų64112.9 Ų112.939%0.39365%0.646SS.*PPolyproline II helixtrans-57.9118.2169.941.60000110.3
478K29.3Very low31Very low174 Ų174116 Ų11676%0.75766%0.655SS**  trans-103.9110.3168.3-70.7-171.5-179.6-178.30108.9G476 I480G476-K478 PolarHBondContact O-N 3.36Å; K478-I480 PolarHBondContact O-N 2.9Å
479T33.9Very low31.1Very low109 Ų109121.4 Ų121.467%0.66968%0.679SS**  trans-67.4111.6163.851.10000108.2
480I31.6Very low31Very low105 Ų105115.8 Ų115.854%0.53867%0.672SS.*  trans-89.3108.6173.3-62.5177.2000107.6K478 M482K478-I480 PolarHBondContact O-N 2.9Å; I480-M482 HydrophobicContact CG2-CB 4.33Å; I480-M482 PolarHBondContact O-N 2.69Å; I480-M482 VanDerWaalsContact O-N 3.1Å
481G26.8Very low31.2Very low84 Ų84111.9 Ų111.987%0.86666%0.66SS**  trans-73.193.9169.700000110.2
482M31.2Very low32.1Very low132 Ų132113 Ų11365%0.6567%0.666SS**  trans-137.269.1167.6-163179.977.500109.3I480I480-M482 HydrophobicContact CG2-CB 4.33Å; I480-M482 PolarHBondContact O-N 2.69Å; I480-M482 VanDerWaalsContact O-N 3.1Å
483F32.1Very low32.8Very low104 Ų104109.6 Ų109.646%0.45664%0.637SS.*  trans-140.254.1172.7-136.4-84.8000111.9M495F483-M495 HydrophobicContact CE1-CB 3.98Å; F483-M495 HydrophobicContact CE1-SD 4.43Å; F483-M495 HydrophobicContact CE2-CB 4.45Å; F483-M495 HydrophobicContact CE2-SD 3.53Å; F483-M495 VanDerWaalsContact CE2-SD 3.53Å; F483-M495 HydrophobicContact CZ-CB 3.64Å; F483-M495 HydrophobicContact CZ-CG 4.13Å; F483-M495 HydrophobicContact CZ-SD 3.28Å; F483-M495 WeakPolarHBondContact CZ-SD 3.39Å
484S31.3Very low33.9Very low111 Ų111108.5 Ų108.578%0.77662%0.62SS**SBendtrans-124.710174.660.70000114.2
485K34.9Very low35.2Very low203 Ų203107.3 Ų107.388%0.88360%0.602SS**SBendtrans-119.67.3-175.3-83.8-171.4177.81800116.9
486L36.2Very low36.3Very low87 Ų87111.8 Ų111.846%0.45561%0.61SS.*  trans-122.929.2-178.7-88.7158.5000113.8
487L32.5Very low37.5Very low137 Ų137111.7 Ų111.772%0.71761%0.609SS**  trans-105.833.7179.5-102.5170.5000113.6
488N32.7Very low38.5Very low155 Ų155110.1 Ų110.183%0.82960%0.6SS**SBendtrans-140.3124.1169.6-83-31.8000110.3
489Q35.8Very low39.9Very low175 Ų175106 Ų10682%0.81858%0.582SS**SBendtrans89.890.6172.5-63.3-177.5-42.900118.6
490S31.9Very low41.2Very low95 Ų95103.1 Ų103.166%0.66456%0.562SS**  trans53.875.6130.957.60000119.2R312R312-S490 PolarHBondContact NH1-O 3.07Å
491S37.2Very low42.6Very low54 Ų5498.9 Ų98.938%0.37854%0.54SS..  trans-168.2153137.7440000110.3F493S491-F493 PolarHBondContact O-N 2.63Å
492Q46Very low44.2Very low198 Ų19898.7 Ų98.793%0.92552%0.523SS*.SBendtrans-65.38.7-167.6-76.7173.6-38.600116.4I494Q492-I494 PolarHBondContact O-N 3.38Å; Q492-I494 VanDerWaalsContact O-N 3.11Å
493F45.7Very low45.9Very low37 Ų3794.9 Ų94.916%0.16250%0.504CS..  trans-88.773.1-178-133.1-87.8000111.2A301 T366 A369 T370 S491 M495A301-F493 HydrophobicContact CB-CD1 4.47Å; A301-F493 HydrophobicContact CB-CE1 3.83Å; T366-F493 HydrophobicContact CG2-CD2 3.92Å; T366-F493 HydrophobicContact CG2-CE2 3.71Å; A369-F493 HydrophobicContact CB-CZ 3.75Å; T370-F493 WeakPolarHBondContact OG1-CE2 3.31Å; S491-F493 PolarHBondContact O-N 2.63Å; F493-M495 PolarHBondContact O-N 2.82Å
494I49.2Very low47.5Very low103 Ų10392.2 Ų92.253%0.52849%0.493SS..  trans-79.997.7177-61.4176.2000109K377 Q492 E496K377-I494 PolarHBondContact NZ-O 3.16Å; Q492-I494 PolarHBondContact O-N 3.38Å; Q492-I494 VanDerWaalsContact O-N 3.11Å; I494-E496 HydrophobicContact CG2-CB 3.34Å; I494-E496 PolarHBondContact O-N 3.15Å; I494-E496 VanDerWaalsContact O-N 3.16Å
495M54.4Low49.2Very low22 Ų2295.4 Ų95.411%0.10849%0.493CS..  trans-66.3-1.1171.3-82.3-170.6158.500114.6P298 A301 E302 F483 F493 G497 V498P298-M495 WeakPolarHBondContact O-CE 3.4Å; A301-M495 HydrophobicContact CB-CE 3.02Å; E302-M495 HydrophobicContact CG-CE 4.19Å; E302-M495 VanDerWaalsContact N-CE 3.29Å; F483-M495 HydrophobicContact CE1-CB 3.98Å; F483-M495 HydrophobicContact CE1-SD 4.43Å; F483-M495 HydrophobicContact CE2-CB 4.45Å; F483-M495 HydrophobicContact CE2-SD 3.53Å; F483-M495 VanDerWaalsContact CE2-SD 3.53Å; F483-M495 HydrophobicContact CZ-CB 3.64Å; F483-M495 HydrophobicContact CZ-CG 4.13Å; F483-M495 HydrophobicContact CZ-SD 3.28Å; F483-M495 WeakPolarHBondContact CZ-SD 3.39Å; F493-M495 PolarHBondContact O-N 2.82Å; M495-G497 PolarHBondContact O-N 3.16Å; M495-V498 PolarHBondContact O-N 2.86Å
496E48.9Very low51.3Low142 Ų14289.1 Ų89.166%0.66446%0.464SS*.THydrogen-bonded Turntrans-57.5112.9177.5-153.5170.2-157.500109.4K377 I494K377-E496 WeakPolarHBondContact CE-O 3.49Å; K377-E496 PolarHBondContact NZ-O 3.35Å; I494-E496 HydrophobicContact CG2-CB 3.34Å; I494-E496 PolarHBondContact O-N 3.15Å; I494-E496 VanDerWaalsContact O-N 3.16Å
497G51.9Low53.5Low54 Ų5489 Ų8956%0.55746%0.464SS*.THydrogen-bonded Turntrans121.5-12.3179.600000116.5M495M495-G497 PolarHBondContact O-N 3.16Å
498V54.4Low56.3Low32 Ų3283.4 Ų83.419%0.19443%0.434CS..  trans-95.2118.4174.7-172.90000109.9W251 F297 P298 L373 M495 N500W251-V498 HydrophobicContact CZ2-CG1 3.96Å; F297-V498 HydrophobicContact CD1-CG1 4.33Å; F297-V498 HydrophobicContact CE1-CG2 4.42Å; P298-V498 HydrophobicContact CG-CG1 4.38Å; L373-V498 HydrophobicContact CD1-CG2 3.04Å; M495-V498 PolarHBondContact O-N 2.86Å; V498-N500 PolarHBondContact O-N 2.86Å
499K59.5Low59.1Low87 Ų8778 Ų7838%0.37841%0.408SS..  trans-65.4133.8170.5-69.5-178.5-1761640109.7D382 E386 L501D382-K499 HydrophobicContact CB-CB 4.5Å; D382-K499 HydrophobicContact CB-CD 4.34Å; D382-K499 VanDerWaalsContact OD2-CD 3.3Å; D382-K499 WeakPolarHBondContact OD2-CD 3.27Å; D382-K499 WeakPolarHBondContact OD2-CE 3.32Å; D382-K499 IonicContact OD2-NZ 2.75Å; D382-K499 PolarHBondContact OD2-NZ 3.18Å; E386-K499 IonicContact OE2-NZ 3.33Å; E386-K499 PolarHBondContact OE2-NZ 2.97Å; K499-L501 VanDerWaalsContact C-N 3.28Å; K499-L501 HydrophobicContact CB-CD1 4.23Å; K499-L501 HydrophobicContact CB-CD2 3.8Å; K499-L501 HydrophobicContact CB-CG 3.74Å; K499-L501 HydrophobicContact CD-CD2 4.14Å; K499-L501 PolarHBondContact O-N 3.35Å
500N60Low61.9Low49 Ų4969.8 Ų69.826%0.26237%0.369SS..  trans-76.584.7170.6-161.70.2000109.3V498V498-N500 PolarHBondContact O-N 2.86Å
501L61.9Low64.9Low15 Ų1565.2 Ų65.28%0.07934%0.338CS..  trans-89.5120.8-178.3-59.9175.4000109.2W251 D382 F385 K499 I503W251-L501 HydrophobicContact CZ2-CD1 4.08Å; D382-L501 HydrophobicContact CB-CD1 4.11Å; F385-L501 HydrophobicContact CD1-CB 4.25Å; F385-L501 HydrophobicContact CD1-CD1 3.59Å; F385-L501 HydrophobicContact CE1-CB 4.06Å; F385-L501 HydrophobicContact CE1-CD1 4.27Å; F385-L501 HydrophobicContact CG-CD1 4.48Å; K499-L501 VanDerWaalsContact C-N 3.28Å; K499-L501 HydrophobicContact CB-CD1 4.23Å; K499-L501 HydrophobicContact CB-CD2 3.8Å; K499-L501 HydrophobicContact CB-CG 3.74Å; K499-L501 HydrophobicContact CD-CD2 4.14Å; K499-L501 PolarHBondContact O-N 3.35Å; L501-I503 PolarHBondContact O-N 2.96Å
502V60.5Low67.5Low81 Ų8163.6 Ų63.649%0.49133%0.329SS..  trans-78.7113.1175.71800000108.3Q504V502-Q504 PolarHBondContact O-N 3.29Å
503I66.2Low69.8Low51 Ų5154.1 Ų54.126%0.26229%0.285SS..  trans-65.6121.8172.3-52.9177.9000108.1W251 T252 P296 F385 L501 K505W251-I503 HydrophobicContact CB-CD1 3.85Å; W251-I503 HydrophobicContact CB-CG1 4.04Å; T252-I503 HydrophobicContact CG2-CD1 3.58Å; P296-I503 HydrophobicContact CB-CD1 4.07Å; P296-I503 HydrophobicContact CG-CD1 4.03Å; P296-I503 HydrophobicContact CG-CG1 4.47Å; F385-I503 HydrophobicContact CZ-CG1 4.31Å; L501-I503 PolarHBondContact O-N 2.96Å; I503-K505 PolarHBondContact O-N 2.96Å
504Q67.5Low72.2Confident48 Ų4852.4 Ų52.422%0.22428%0.277CS..  trans-72.3128.4175.1-60.6-157.9-700109.6G475 V502 R506G475-Q504 PolarHBondContact O-NE2 3.36Å; V502-Q504 PolarHBondContact O-N 3.29Å; Q504-R506 VanDerWaalsContact C-N 3.35Å; Q504-R506 PolarHBondContact O-N 3.4Å
505K67Low74.3Confident179 Ų17948.7 Ų48.778%0.77826%0.259SS*.  trans-71.892.4172.4-68.5-163.5174.5-156.50109.3I503 D572I503-K505 PolarHBondContact O-N 2.96Å; K505-D572 IonicContact NZ-OD1 2.66Å
506R77.1Confident76.1Confident70 Ų7047.8 Ų47.826%0.26426%0.255SS..  trans-115.6138.2174.9-170.7-179.691.1173.57.8110.3M392 N393 Q504 L508 N569M392-R506 VanDerWaalsContact C-NH1 3.29Å; M392-R506 PolarHBondContact O-NH1 3.23Å; N393-R506 PolarHBondContact OD1-NH1 2.92Å; Q504-R506 VanDerWaalsContact C-N 3.35Å; Q504-R506 PolarHBondContact O-N 3.4Å; R506-L508 PolarHBondContact O-N 3.49Å; R506-N569 PolarHBondContact O-ND2 3.36Å; R506-N569 PolarHBondContact O-OD1 3.16Å
507N82.7Confident78.2Confident85 Ų8541.4 Ų41.446%0.45523%0.225SC..  trans-72.5120167.3-69.3-5.8000109.2T511N507-T511 HydrophobicContact CB-CG2 3.94Å
508L91.1Very high80.2Confident19 Ų1938.9 Ų38.910%0.09920%0.199CC..  trans-66160.5168.6-64177000110.3T245 R506 L510 T511 G512 E566 N569T245-L508 HydrophobicContact CG2-CD1 3.93Å; R506-L508 PolarHBondContact O-N 3.49Å; L508-L510 PolarHBondContact O-N 3.04Å; L508-T511 CarbonylContact O-C 3.54Å; L508-T511 WeakPolarHBondContact O-CA 3.41Å; L508-T511 WeakPolarHBondContact O-CB 3.43Å; L508-T511 PolarHBondContact O-N 2.98Å; L508-G512 PolarHBondContact O-N 3.4Å; L508-E566 HydrophobicContact CD1-CG 4.13Å; L508-N569 HydrophobicContact CD1-CB 3.77Å; L508-N569 HydrophobicContact CG-CB 4.12Å; L508-N569 PolarHBondContact N-OD1 2.95Å
509P92Very high81.9Confident43 Ų4340 Ų4028%0.27920%0.202SC..Hα-helixtrans-50.8-42.9179.6-29.937000113.4L241 D242 T511 G512 V513L241-P509 HydrophobicContact CG-CB 4.42Å; D242-P509 HydrophobicContact CB-CB 4.05Å; D242-P509 HydrophobicContact CB-CG 3.95Å; D242-P509 WeakPolarHBondContact OD2-CD 3.4Å; P509-T511 PolarHBondContact O-N 2.96Å; P509-G512 PolarHBondContact O-N 3.25Å; P509-G512 VanDerWaalsContact O-N 3.15Å; P509-V513 PolarHBondContact O-N 3.39Å
510L94.6Very high83.3Confident1 Ų138 Ų381%0.00520%0.201CC..Hα-helixtrans-58.1-47.4174.9-177.860.5000112.1C237 L241 L508 G512 V513 V514 V556 M558 E566 L570 F581C237-L510 HydrophobicContact CB-CD1 4.22Å; L241-L510 HydrophobicContact CD2-CB 4.42Å; L241-L510 HydrophobicContact CD2-CD1 4.21Å; L508-L510 PolarHBondContact O-N 3.04Å; L510-G512 VanDerWaalsContact C-N 3.28Å; L510-G512 PolarHBondContact O-N 3.35Å; L510-V513 WeakPolarHBondContact O-CB 3.41Å; L510-V513 PolarHBondContact O-N 2.94Å; L510-V514 VanDerWaalsContact O-CG2 3.3Å; L510-V514 WeakPolarHBondContact O-CG2 3.3Å; L510-V514 PolarHBondContact O-N 3.31Å; L510-V556 HydrophobicContact CD1-CG1 3.74Å; L510-V556 HydrophobicContact CD2-CG1 4.07Å; L510-V556 HydrophobicContact CG-CG1 4.09Å; L510-M558 HydrophobicContact CB-CE 4.31Å; L510-M558 HydrophobicContact CD1-CE 3.65Å; L510-M558 HydrophobicContact CD2-CE 3.7Å; L510-M558 HydrophobicContact CG-CE 4.08Å; L510-E566 HydrophobicContact CD2-CB 4.2Å; L510-E566 HydrophobicContact CD2-CG 4.41Å; L510-L570 HydrophobicContact CD2-CD1 4.1Å; L510-F581 HydrophobicContact CD2-CD2 4.37Å; L510-F581 HydrophobicContact CD2-CE2 3.71Å; L510-F581 HydrophobicContact CD2-CZ 4.41Å
511T94.8Very high84.5Confident0 Ų040.4 Ų40.40%021%0.21CC..Hα-helixtrans-63.3-34.8176.9-53.90000111.9N507 L508 P509 V514 D515 N569 L570 Y573N507-T511 HydrophobicContact CB-CG2 3.94Å; L508-T511 CarbonylContact O-C 3.54Å; L508-T511 WeakPolarHBondContact O-CA 3.41Å; L508-T511 WeakPolarHBondContact O-CB 3.43Å; L508-T511 PolarHBondContact O-N 2.98Å; P509-T511 PolarHBondContact O-N 2.96Å; T511-V514 PolarHBondContact O-N 3.01Å; T511-D515 WeakPolarHBondContact O-CB 3.44Å; T511-D515 PolarHBondContact O-N 2.81Å; T511-N569 VanDerWaalsContact CB-OD1 3.29Å; T511-N569 WeakPolarHBondContact CB-OD1 3.43Å; T511-N569 PolarHBondContact OG1-OD1 3.02Å; T511-L570 HydrophobicContact CG2-CD2 4.45Å; T511-Y573 VanDerWaalsContact CG2-CB 3.48Å; T511-Y573 HydrophobicContact CG2-CD1 4.34Å; T511-Y573 HydrophobicContact CG2-CD2 3.98Å; T511-Y573 HydrophobicContact CG2-CG 3.65Å
512G93Very high85.4Confident19 Ų1944 Ų4420%0.19624%0.236CC..Hα-helixtrans-62.4-43.9172.800000112.9L508 P509 L510 D515 A516L508-G512 PolarHBondContact O-N 3.4Å; P509-G512 PolarHBondContact O-N 3.25Å; P509-G512 VanDerWaalsContact O-N 3.15Å; L510-G512 VanDerWaalsContact C-N 3.28Å; L510-G512 PolarHBondContact O-N 3.35Å; G512-D515 PolarHBondContact O-N 2.92Å; G512-A516 WeakPolarHBondContact O-CB 3.34Å; G512-A516 PolarHBondContact O-N 3.35Å
513V93.7Very high86.3Confident0 Ų041.6 Ų41.60%022%0.22CC..Hα-helixtrans-61.6-46.5173.6169.40000110.8I235 L241 P509 L510 A516 L517 V526 Y529I235-V513 HydrophobicContact CG2-CG1 4.14Å; L241-V513 HydrophobicContact CD1-CG2 4.2Å; L241-V513 HydrophobicContact CD2-CG2 4.13Å; P509-V513 PolarHBondContact O-N 3.39Å; L510-V513 WeakPolarHBondContact O-CB 3.41Å; L510-V513 PolarHBondContact O-N 2.94Å; V513-A516 PolarHBondContact O-N 3.13Å; V513-L517 HydrophobicContact CG1-CD1 3.75Å; V513-L517 HydrophobicContact CG1-CG 4.43Å; V513-L517 WeakPolarHBondContact O-CB 3.5Å; V513-L517 WeakPolarHBondContact O-CG 3.49Å; V513-L517 PolarHBondContact O-N 3.32Å; V513-V526 HydrophobicContact CB-CG1 4.2Å; V513-V526 HydrophobicContact CG1-CG1 3.9Å; V513-V526 HydrophobicContact CG2-CG1 4.08Å; V513-Y529 HydrophobicContact CG1-CE1 3.84Å
514V95.2Very high87.1Confident0 Ų041.8 Ų41.80%023%0.23CC..Hα-helixtrans-61.1-46.5178.5174.50000110.9I235 L510 T511 A516 L517 M518 V556 L570 Y573 I579I235-V514 HydrophobicContact CD1-CB 4.26Å; I235-V514 HydrophobicContact CD1-CG1 4.36Å; I235-V514 HydrophobicContact CD1-CG2 3.88Å; L510-V514 VanDerWaalsContact O-CG2 3.3Å; L510-V514 WeakPolarHBondContact O-CG2 3.3Å; L510-V514 PolarHBondContact O-N 3.31Å; T511-V514 PolarHBondContact O-N 3.01Å; V514-A516 PolarHBondContact O-N 3.13Å; V514-L517 PolarHBondContact O-N 3.27Å; V514-M518 HydrophobicContact CG1-CG 4.03Å; V514-M518 HydrophobicContact CG1-SD 3.58Å; V514-M518 VanDerWaalsContact CG1-SD 3.58Å; V514-M518 VanDerWaalsContact O-CB 3.25Å; V514-M518 WeakPolarHBondContact O-CB 3.06Å; V514-M518 VanDerWaalsContact O-CG 3.27Å; V514-M518 WeakPolarHBondContact O-CG 3.34Å; V514-M518 PolarHBondContact O-N 3.21Å; V514-V556 HydrophobicContact CG1-CG2 4.38Å; V514-V556 HydrophobicContact CG2-CB 4.43Å; V514-V556 HydrophobicContact CG2-CG1 3.92Å; V514-V556 HydrophobicContact CG2-CG2 3.59Å; V514-L570 HydrophobicContact CB-CD2 4.16Å; V514-L570 HydrophobicContact CG1-CD2 4.3Å; V514-L570 HydrophobicContact CG2-CD2 3.84Å; V514-Y573 HydrophobicContact CG1-CD1 4.39Å; V514-Y573 HydrophobicContact CG1-CE1 4.05Å; V514-I579 HydrophobicContact CG1-CD1 4.24Å
515D93.6Very high87.7Confident25 Ų2544 Ų4413%0.13424%0.24CC..Hα-helixtrans-62-44177.7-179.861.7000112.3T511 G512 E519 K521 Y573T511-D515 WeakPolarHBondContact O-CB 3.44Å; T511-D515 PolarHBondContact O-N 2.81Å; G512-D515 PolarHBondContact O-N 2.92Å; D515-E519 VanDerWaalsContact O-CB 3.28Å; D515-E519 WeakPolarHBondContact O-CB 3.27Å; D515-E519 WeakPolarHBondContact O-CG 3.23Å; D515-E519 PolarHBondContact O-N 2.92Å; D515-E519 WeakPolarHBondContact OD1-CG 3.43Å; D515-K521 IonicContact OD1-NZ 2.75Å; D515-K521 PolarHBondContact OD1-NZ 2.84Å; D515-K521 IonicContact OD2-NZ 3.59Å; D515-K521 PolarHBondContact OD2-NZ 2.87Å; D515-Y573 VanDerWaalsContact CA-OH 3.3Å; D515-Y573 WeakPolarHBondContact CA-OH 3.41Å; D515-Y573 HydrophobicContact CB-CD2 4.44Å; D515-Y573 HydrophobicContact CB-CE2 3.57Å; D515-Y573 WeakPolarHBondContact OD1-CE2 3.27Å; D515-Y573 PolarHBondContact OD1-OH 3.47Å
516A92.8Very high88.6Confident4 Ų435.7 Ų35.73%0.03320%0.204CC..Hα-helixtrans-63.3-45179.400000112G512 V513 V514 A520 K521 N523 V526G512-A516 WeakPolarHBondContact O-CB 3.34Å; G512-A516 PolarHBondContact O-N 3.35Å; V513-A516 PolarHBondContact O-N 3.13Å; V514-A516 PolarHBondContact O-N 3.13Å; A516-A520 WeakPolarHBondContact O-CA 3.48Å; A516-A520 PolarHBondContact O-N 3.4Å; A516-A520 VanDerWaalsContact O-N 3.16Å; A516-K521 PolarHBondContact O-N 3.09Å; A516-N523 HydrophobicContact CB-CB 3.79Å; A516-V526 HydrophobicContact CB-CG1 4.22Å; A516-V526 HydrophobicContact CB-CG2 3.72Å
517L93Very high89Confident8 Ų834.5 Ų34.54%0.04220%0.203CC..Hα-helixtrans-73.7-41.3-178.7-69.2175.1000112.9R187 L233 I235 V513 V514 V526 Y529R187-L517 HydrophobicContact CB-CD1 4.14Å; L233-L517 HydrophobicContact CD2-CB 3.94Å; I235-L517 HydrophobicContact CD1-CB 4.1Å; I235-L517 HydrophobicContact CD1-CD1 3.84Å; I235-L517 HydrophobicContact CG1-CD1 3.9Å; I235-L517 HydrophobicContact CG2-CD1 3.85Å; V513-L517 HydrophobicContact CG1-CD1 3.75Å; V513-L517 HydrophobicContact CG1-CG 4.43Å; V513-L517 WeakPolarHBondContact O-CB 3.5Å; V513-L517 WeakPolarHBondContact O-CG 3.49Å; V513-L517 PolarHBondContact O-N 3.32Å; V514-L517 PolarHBondContact O-N 3.27Å; L517-V526 HydrophobicContact CD2-CB 3.86Å; L517-V526 HydrophobicContact CD2-CG1 4.43Å; L517-V526 HydrophobicContact CD2-CG2 4.04Å; L517-V526 HydrophobicContact CG-CB 4.12Å; L517-V526 HydrophobicContact CG-CG1 4.15Å; L517-V526 HydrophobicContact CG-CG2 4.38Å; L517-Y529 HydrophobicContact CD1-CD1 3.9Å; L517-Y529 HydrophobicContact CD1-CE1 4.09Å
518M92.7Very high89.2Confident0 Ų035.7 Ų35.70%021%0.21CC..Hα-helixtrans-73.5-30.1-179.5-69.8-170.584.500112.9L233 V514 T550 F551 A554 Y573 K577 I579L233-M518 HydrophobicContact CD2-CG 3.99Å; V514-M518 HydrophobicContact CG1-CG 4.03Å; V514-M518 HydrophobicContact CG1-SD 3.58Å; V514-M518 VanDerWaalsContact CG1-SD 3.58Å; V514-M518 VanDerWaalsContact O-CB 3.25Å; V514-M518 WeakPolarHBondContact O-CB 3.06Å; V514-M518 VanDerWaalsContact O-CG 3.27Å; V514-M518 WeakPolarHBondContact O-CG 3.34Å; V514-M518 PolarHBondContact O-N 3.21Å; M518-T550 CarbonylContact O-C 3.58Å; M518-T550 WeakPolarHBondContact O-CA 3.47Å; M518-F551 HydrophobicContact CE-CB 4.23Å; M518-F551 WeakPolarHBondContact CE-O 3.29Å; M518-F551 HydrophobicContact CG-CB 4.46Å; M518-F551 PolarHBondContact O-N 3.5Å; M518-A554 HydrophobicContact CE-CB 3.61Å; M518-A554 HydrophobicContact CG-CB 4.08Å; M518-A554 HydrophobicContact SD-CB 3.54Å; M518-A554 VanDerWaalsContact SD-CB 3.54Å; M518-Y573 HydrophobicContact SD-CE1 4.45Å; M518-K577 HydrophobicContact CE-CB 4.2Å; M518-K577 HydrophobicContact CE-CD 3.75Å; M518-K577 HydrophobicContact CE-CG 4.42Å; M518-K577 HydrophobicContact SD-CD 4.28Å; M518-I579 HydrophobicContact SD-CD1 4.29Å; M518-I579 HydrophobicContact SD-CG1 4.35Å
519E91.5Very high89.3Confident57 Ų5735.4 Ų35.427%0.26621%0.207SC..THydrogen-bonded Turntrans-97.53.6178.8-58.2-66.2-178.600113.3D515 K521 K577D515-E519 VanDerWaalsContact O-CB 3.28Å; D515-E519 WeakPolarHBondContact O-CB 3.27Å; D515-E519 WeakPolarHBondContact O-CG 3.23Å; D515-E519 PolarHBondContact O-N 2.92Å; D515-E519 WeakPolarHBondContact OD1-CG 3.43Å; E519-K521 HydrophobicContact CB-CD 3.91Å; E519-K521 HydrophobicContact CB-CG 3.81Å; E519-K521 PolarHBondContact O-N 3.46Å; E519-K577 VanDerWaalsContact OE1-CE 3.32Å; E519-K577 WeakPolarHBondContact OE1-CE 3.3Å; E519-K577 IonicContact OE1-NZ 3.57Å; E519-K577 PolarHBondContact OE1-NZ 3.44Å; E519-K577 IonicContact OE2-NZ 3.43Å; E519-K577 PolarHBondContact OE2-NZ 3.29Å; E519-K577 VanDerWaalsContact OE2-NZ 3.15Å
520A87.4Confident89.3Confident43 Ų4333.4 Ų33.436%0.35519%0.194SC..THydrogen-bonded Turntrans51.635.7-174.500000113.1A516 S547A516-A520 WeakPolarHBondContact O-CA 3.48Å; A516-A520 PolarHBondContact O-N 3.4Å; A516-A520 VanDerWaalsContact O-N 3.16Å; A520-S547 VanDerWaalsContact CB-O 3.32Å; A520-S547 WeakPolarHBondContact CB-O 3.25Å
521K86.9Confident89.2Confident101 Ų10134.3 Ų34.344%0.43920%0.2SC..  trans-78.3141.9176.7-66.3167.5-176.5168.20109.2D515 A516 E519 N523D515-K521 IonicContact OD1-NZ 2.75Å; D515-K521 PolarHBondContact OD1-NZ 2.84Å; D515-K521 IonicContact OD2-NZ 3.59Å; D515-K521 PolarHBondContact OD2-NZ 2.87Å; A516-K521 PolarHBondContact O-N 3.09Å; E519-K521 HydrophobicContact CB-CD 3.91Å; E519-K521 HydrophobicContact CB-CG 3.81Å; E519-K521 PolarHBondContact O-N 3.46Å; K521-N523 PolarHBondContact O-N 2.68Å
522S79.4Confident89.2Confident90 Ų9034.6 Ų34.663%0.62920%0.201SC*.  trans-69.6119.7170-153.20000108.7K546S522-K546 PolarHBondContact OG-NZ 3.38Å
523N81Confident89.1Confident30 Ų3035 Ų3516%0.1620%0.199CC..  trans-141125.9170.4174.90.3000106.6A516 K521 E525 V526 D527A516-N523 HydrophobicContact CB-CB 3.79Å; K521-N523 PolarHBondContact O-N 2.68Å; N523-E525 PolarHBondContact ND2-OE2 3.36Å; N523-E525 VanDerWaalsContact ND2-OE2 3.08Å; N523-E525 PolarHBondContact O-N 3.34Å; N523-E525 VanDerWaalsContact O-N 3.11Å; N523-E525 PolarHBondContact OD1-N 2.84Å; N523-V526 HydrophobicContact CB-CG2 4.08Å; N523-V526 PolarHBondContact O-N 3.33Å; N523-D527 PolarHBondContact O-N 3.21Å
524A81.9Confident88.9Confident56 Ų5635.2 Ų35.246%0.46320%0.201SC..THydrogen-bonded Turntrans-59.9-22-178.800000112.9V526A524-V526 VanDerWaalsContact C-N 3.31Å; A524-V526 PolarHBondContact O-N 3.01Å
525E79.9Confident88.6Confident93 Ų9341 Ų4144%0.43523%0.226SC..THydrogen-bonded Turntrans-66.6-30.7173.4-66.5171.3168.900113.1N523 Y529N523-E525 PolarHBondContact ND2-OE2 3.36Å; N523-E525 VanDerWaalsContact ND2-OE2 3.08Å; N523-E525 PolarHBondContact O-N 3.34Å; N523-E525 VanDerWaalsContact O-N 3.11Å; N523-E525 PolarHBondContact OD1-N 2.84Å; E525-Y529 WeakPolarHBondContact O-CE2 3.47Å
526V87.3Confident88.2Confident5 Ų544.6 Ų44.63%0.0324%0.244CC..THydrogen-bonded Turntrans-113.8-4.7-173.8-52.30000113.9V513 A516 L517 N523 A524 D528 Y529V513-V526 HydrophobicContact CB-CG1 4.2Å; V513-V526 HydrophobicContact CG1-CG1 3.9Å; V513-V526 HydrophobicContact CG2-CG1 4.08Å; A516-V526 HydrophobicContact CB-CG1 4.22Å; A516-V526 HydrophobicContact CB-CG2 3.72Å; L517-V526 HydrophobicContact CD2-CB 3.86Å; L517-V526 HydrophobicContact CD2-CG1 4.43Å; L517-V526 HydrophobicContact CD2-CG2 4.04Å; L517-V526 HydrophobicContact CG-CB 4.12Å; L517-V526 HydrophobicContact CG-CG1 4.15Å; L517-V526 HydrophobicContact CG-CG2 4.38Å; N523-V526 HydrophobicContact CB-CG2 4.08Å; N523-V526 PolarHBondContact O-N 3.33Å; A524-V526 VanDerWaalsContact C-N 3.31Å; A524-V526 PolarHBondContact O-N 3.01Å; V526-D528 PolarHBondContact O-N 3.34Å; V526-Y529 HydrophobicContact CB-CD2 4.15Å; V526-Y529 HydrophobicContact CB-CE2 4.4Å; V526-Y529 HydrophobicContact CB-CG 4.35Å; V526-Y529 HydrophobicContact CG1-CD2 4.48Å; V526-Y529 HydrophobicContact CG1-CE2 4.24Å; V526-Y529 WeakPolarHBondContact O-CB 3.34Å; V526-Y529 PolarHBondContact O-N 3.09Å; V526-Y529 VanDerWaalsContact O-N 3.16Å
527D85.2Confident87.3Confident45 Ų4552.4 Ų52.424%0.24129%0.285CS..THydrogen-bonded Turntrans-62.7-30.9-178.6-88.1-3.4000111.5N523 G544 K546N523-D527 PolarHBondContact O-N 3.21Å; D527-G544 WeakPolarHBondContact O-CA 3.47Å; D527-K546 VanDerWaalsContact CG-NZ 3.32Å; D527-K546 WeakPolarHBondContact OD1-CE 3.39Å; D527-K546 IonicContact OD1-NZ 3.56Å; D527-K546 PolarHBondContact OD1-NZ 3.09Å; D527-K546 IonicContact OD2-NZ 3.62Å; D527-K546 PolarHBondContact OD2-NZ 3.31Å
528D86.4Confident86.5Confident111 Ų11159.6 Ų59.659%0.59432%0.316SS*.THydrogen-bonded Turntrans-92.52.1178.6-72.1-20.7000114.5V526 L530V526-D528 PolarHBondContact O-N 3.34Å; D528-L530 PolarHBondContact O-N 3.47Å
529Y92Very high85.4Confident13 Ų1364.2 Ų64.25%0.05134%0.34CS..  trans-64.1132.1179-86.5-136.1000110.7R187 C188 P189 V513 L517 E525 V526R187-Y529 HydrophobicContact CB-CD1 4.43Å; R187-Y529 PolarHBondContact NH2-O 2.87Å; C188-Y529 VanDerWaalsContact C-CD1 3.5Å; C188-Y529 CarbonylContact O-C 3.58Å; C188-Y529 VanDerWaalsContact O-CA 3.26Å; C188-Y529 WeakPolarHBondContact O-CA 3.45Å; C188-Y529 WeakPolarHBondContact O-CB 3.25Å; P189-Y529 HydrophobicContact CB-CD2 4.5Å; P189-Y529 HydrophobicContact CB-CE2 4.06Å; V513-Y529 HydrophobicContact CG1-CE1 3.84Å; L517-Y529 HydrophobicContact CD1-CD1 3.9Å; L517-Y529 HydrophobicContact CD1-CE1 4.09Å; E525-Y529 WeakPolarHBondContact O-CE2 3.47Å; V526-Y529 HydrophobicContact CB-CD2 4.15Å; V526-Y529 HydrophobicContact CB-CE2 4.4Å; V526-Y529 HydrophobicContact CB-CG 4.35Å; V526-Y529 HydrophobicContact CG1-CD2 4.48Å; V526-Y529 HydrophobicContact CG1-CE2 4.24Å; V526-Y529 WeakPolarHBondContact O-CB 3.34Å; V526-Y529 PolarHBondContact O-N 3.09Å; V526-Y529 VanDerWaalsContact O-N 3.16Å
530L93.1Very high84.4Confident1 Ų164.4 Ų64.41%0.00535%0.352CS..EExtended strand (participates in β ladder)trans-63.9153.7173.8-60.5176.3000110.6R187 C188 R190 E195 D528 F532 P541 V543R187-L530 VanDerWaalsContact CA-O 3.3Å; R187-L530 WeakPolarHBondContact CA-O 3.5Å; R187-L530 VanDerWaalsContact CD-O 3.25Å; R187-L530 WeakPolarHBondContact CD-O 3.5Å; R187-L530 PolarHBondContact NE-O 3.49Å; C188-L530 PolarHBondContact N-O 2.91Å; C188-L530 PolarHBondContact O-N 3.34Å; R190-L530 HydrophobicContact CG-CD1 4.01Å; R190-L530 HydrophobicContact CG-CD2 3.73Å; R190-L530 HydrophobicContact CG-CG 3.6Å; E195-L530 HydrophobicContact CB-CD1 4.36Å; E195-L530 VanDerWaalsContact CD-CD1 3.5Å; E195-L530 HydrophobicContact CG-CD1 3.64Å; E195-L530 WeakPolarHBondContact OE1-CD1 3.39Å; D528-L530 PolarHBondContact O-N 3.47Å; L530-F532 HydrophobicContact CB-CD2 4.41Å; L530-F532 HydrophobicContact CB-CE2 3.82Å; L530-F532 HydrophobicContact CD1-CE2 4.07Å; L530-F532 HydrophobicContact CD1-CZ 4.13Å; L530-P541 HydrophobicContact CB-CB 4.34Å; L530-P541 HydrophobicContact CD2-CB 4.42Å; L530-P541 HydrophobicContact CD2-CG 4.49Å; L530-V543 HydrophobicContact CD2-CG2 3.88Å
531C93.3Very high83.8Confident20 Ų2064.3 Ų64.314%0.13535%0.348CS..EExtended strand (participates in β ladder)trans-128.1115.8173.5-174.70000110I186 P541 A542I186-C531 WeakPolarHBondContact O-CA 3.5Å; C531-P541 WeakPolarHBondContact O-CA 3.16Å; C531-A542 HydrophobicContact CB-CB 4.35Å; C531-A542 PolarHBondContact N-O 3.35Å; C531-A542 PolarHBondContact O-N 3.16Å
532F92.8Very high83.2Confident5 Ų560.8 Ų60.82%0.02234%0.337CS..EExtended strand (participates in β ladder)trans-106.9129.3170.1-54.6-101.3000109.1I186 A198 E199 N202 L530 P541I186-F532 HydrophobicContact CB-CB 4.14Å; I186-F532 PolarHBondContact N-O 3.03Å; I186-F532 PolarHBondContact O-N 3.31Å; A198-F532 HydrophobicContact CB-CD2 4Å; A198-F532 HydrophobicContact CB-CE2 3.75Å; A198-F532 HydrophobicContact CB-CZ 4.44Å; E199-F532 HydrophobicContact CB-CE1 4.13Å; E199-F532 HydrophobicContact CB-CZ 4.23Å; E199-F532 HydrophobicContact CG-CE1 4.4Å; N202-F532 HydrophobicContact CB-CB 4.01Å; N202-F532 HydrophobicContact CB-CD1 4.09Å; N202-F532 HydrophobicContact CB-CG 4.28Å; L530-F532 HydrophobicContact CB-CD2 4.41Å; L530-F532 HydrophobicContact CB-CE2 3.82Å; L530-F532 HydrophobicContact CD1-CE2 4.07Å; L530-F532 HydrophobicContact CD1-CZ 4.13Å; F532-P541 HydrophobicContact CD1-CB 3.8Å; F532-P541 HydrophobicContact CD1-CG 4.36Å; F532-P541 HydrophobicContact CD2-CB 4.32Å; F532-P541 HydrophobicContact CE1-CB 3.55Å; F532-P541 HydrophobicContact CE1-CG 3.68Å; F532-P541 HydrophobicContact CE2-CB 4.08Å; F532-P541 HydrophobicContact CG-CB 4.18Å; F532-P541 HydrophobicContact CZ-CB 3.7Å; F532-P541 HydrophobicContact CZ-CG 3.84Å
533D91.6Very high82.7Confident27 Ų2760.4 Ų60.414%0.14433%0.331CS..  trans-118.5104.4172-173.8-18.9000109.4R206 R231 K535 L536R206-D533 PolarHBondContact NH2-O 3.43Å; R231-D533 IonicContact CZ-OD1 2.97Å; R231-D533 IonicContact CZ-OD2 3.24Å; R231-D533 IonicContact NH1-OD1 4Å; R231-D533 PolarHBondContact NH1-OD1 2.86Å; R231-D533 IonicContact NH1-OD2 2.9Å; R231-D533 PolarHBondContact NH1-OD2 3.36Å; R231-D533 IonicContact NH2-OD1 3.04Å; R231-D533 PolarHBondContact NH2-OD1 2.98Å; D533-K535 PolarHBondContact O-N 2.96Å; D533-K535 VanDerWaalsContact O-N 3.09Å; D533-K535 PolarHBondContact OD1-N 3.26Å; D533-L536 HydrophobicContact CB-CB 4.33Å; D533-L536 HydrophobicContact CB-CD1 3.73Å; D533-L536 HydrophobicContact CB-CG 3.75Å; D533-L536 PolarHBondContact O-N 3.45Å; D533-L536 VanDerWaalsContact O-N 3.12Å
534P90.6Very high81.8Confident5 Ų560.5 Ų60.53%0.03234%0.339CS..THydrogen-bonded Turntrans-60.5-17.9179.9-25.633.9000115.4V183 P184 I186 N202 I205 R206 L209V183-P534 HydrophobicContact CG1-CB 4.01Å; V183-P534 HydrophobicContact CG1-CG 4.35Å; P184-P534 WeakPolarHBondContact O-CD 3.4Å; I186-P534 HydrophobicContact CD1-CG 4.25Å; N202-P534 WeakPolarHBondContact OD1-CA 3.45Å; I205-P534 HydrophobicContact CB-CB 3.92Å; I205-P534 HydrophobicContact CB-CG 4.16Å; I205-P534 HydrophobicContact CD1-CG 4.17Å; I205-P534 HydrophobicContact CG2-CB 3.43Å; I205-P534 VanDerWaalsContact CG2-CB 3.43Å; I205-P534 HydrophobicContact CG2-CG 3.93Å; R206-P534 HydrophobicContact CG-CB 4.15Å; R206-P534 WeakPolarHBondContact CG-O 3.49Å; L209-P534 HydrophobicContact CD1-CB 4.32Å
535K88Confident80.8Confident123 Ų12363.9 Ų63.954%0.53535%0.345SS..THydrogen-bonded Turntrans-86.9-15.4178.6-66-165.9177.5-173.30113.4V183 L209 D533V183-K535 HydrophobicContact CG1-CD 4.47Å; V183-K535 HydrophobicContact CG1-CG 3.88Å; L209-K535 HydrophobicContact CD1-CG 4.26Å; D533-K535 PolarHBondContact O-N 2.96Å; D533-K535 VanDerWaalsContact O-N 3.09Å; D533-K535 PolarHBondContact OD1-N 3.26Å
536L85.3Confident79.8Confident99 Ų9965.1 Ų65.152%0.51835%0.349SS..SBendtrans-79148179.8-65.9-178000111.2R206 D533 K538R206-L536 PolarHBondContact NH1-O 2.89Å; R206-L536 PolarHBondContact NH2-O 3.46Å; D533-L536 HydrophobicContact CB-CB 4.33Å; D533-L536 HydrophobicContact CB-CD1 3.73Å; D533-L536 HydrophobicContact CB-CG 3.75Å; D533-L536 PolarHBondContact O-N 3.45Å; D533-L536 VanDerWaalsContact O-N 3.12Å; L536-K538 VanDerWaalsContact C-N 3.3Å; L536-K538 PolarHBondContact O-N 2.9Å
537L74Confident78.6Confident168 Ų16867 Ų6788%0.8836%0.363SS*.SBendtrans-66-33.6176.6-84.6138.3000112.7
538K75.2Confident77.8Confident160 Ų16076.3 Ų76.370%0.69640%0.395SS*.  trans-75.3128.8-179.2-168.6178-178.6-174.10110.2R206 L536R206-K538 PolarHBondContact NH1-O 3.42Å; R206-K538 PolarHBondContact NH2-O 2.98Å; L536-K538 VanDerWaalsContact C-N 3.3Å; L536-K538 PolarHBondContact O-N 2.9Å
539D69.5Low77.3Confident97 Ų9773.4 Ų73.452%0.51939%0.386SS..  trans-85.1-32.4-175-145.116.3000113.1R206R206-D539 VanDerWaalsContact CD-OD1 3.29Å; R206-D539 WeakPolarHBondContact CD-OD1 3.49Å; R206-D539 IonicContact CZ-OD1 3.06Å; R206-D539 IonicContact NE-OD1 3.36Å; R206-D539 PolarHBondContact NE-OD1 3.44Å; R206-D539 IonicContact NH1-OD1 2.92Å
540A71.5Confident77.2Confident61 Ų6176 Ų7650%0.50440%0.403SS..SBendtrans-67135.4-178.500000111.8
541P75.5Confident77.1Confident41 Ų4176.2 Ų76.227%0.26640%0.404SS..PPolyproline II helixtrans-61.6145.5176.824-31.6000110.7L530 C531 F532L530-P541 HydrophobicContact CB-CB 4.34Å; L530-P541 HydrophobicContact CD2-CB 4.42Å; L530-P541 HydrophobicContact CD2-CG 4.49Å; C531-P541 WeakPolarHBondContact O-CA 3.16Å; F532-P541 HydrophobicContact CD1-CB 3.8Å; F532-P541 HydrophobicContact CD1-CG 4.36Å; F532-P541 HydrophobicContact CD2-CB 4.32Å; F532-P541 HydrophobicContact CE1-CB 3.55Å; F532-P541 HydrophobicContact CE1-CG 3.68Å; F532-P541 HydrophobicContact CE2-CB 4.08Å; F532-P541 HydrophobicContact CG-CB 4.18Å; F532-P541 HydrophobicContact CZ-CB 3.7Å; F532-P541 HydrophobicContact CZ-CG 3.84Å
542A73.2Confident77.1Confident27 Ų2780 Ų8022%0.22342%0.423CS..EExtended strand (participates in β ladder)trans-81.1122.2168.200000109.1C531 Q545C531-A542 HydrophobicContact CB-CB 4.35Å; C531-A542 PolarHBondContact N-O 3.35Å; C531-A542 PolarHBondContact O-N 3.16Å; A542-Q545 HydrophobicContact CB-CB 3.73Å; A542-Q545 HydrophobicContact CB-CG 4.41Å
543V68.7Low77.1Confident81 Ų8181.8 Ų81.849%0.49143%0.431SS..EExtended strand (participates in β ladder)trans-87.7128.2176-176.60000108.7L530 Q545L530-V543 HydrophobicContact CD2-CG2 3.88Å; V543-Q545 PolarHBondContact O-N 2.89Å; V543-Q545 VanDerWaalsContact O-N 3.09Å
544G62.8Low77.3Confident33 Ų3380.5 Ų80.534%0.3442%0.424SS..SBendtrans63.616.9173.300000115.1D527 K546D527-G544 WeakPolarHBondContact O-CA 3.47Å; G544-K546 PolarHBondContact O-N 3.39Å
545Q61Low77.7Confident126 Ų12680.3 Ų80.359%0.58942%0.423SS*.  trans-76.399178.9-148.9178.44.200108.9A542 V543 S547A542-Q545 HydrophobicContact CB-CB 3.73Å; A542-Q545 HydrophobicContact CB-CG 4.41Å; V543-Q545 PolarHBondContact O-N 2.89Å; V543-Q545 VanDerWaalsContact O-N 3.09Å; Q545-S547 VanDerWaalsContact C-N 3.31Å; Q545-S547 PolarHBondContact O-N 3.41Å
546K58.6Low78.2Confident120 Ų12074.4 Ų74.452%0.52240%0.398SS..  trans-64.890.1173.2-63.8-170.8179.1-166.10108.9S522 D527 G544 R548S522-K546 PolarHBondContact OG-NZ 3.38Å; D527-K546 VanDerWaalsContact CG-NZ 3.32Å; D527-K546 WeakPolarHBondContact OD1-CE 3.39Å; D527-K546 IonicContact OD1-NZ 3.56Å; D527-K546 PolarHBondContact OD1-NZ 3.09Å; D527-K546 IonicContact OD2-NZ 3.62Å; D527-K546 PolarHBondContact OD2-NZ 3.31Å; G544-K546 PolarHBondContact O-N 3.39Å; K546-R548 PolarHBondContact O-N 3.2Å; K546-R548 VanDerWaalsContact O-N 3.08Å
547S62.8Low78.8Confident45 Ų4569.7 Ų69.732%0.31537%0.373SS..  trans-54.6116.7163.2177.70000107.1A520 Q545 A549A520-S547 VanDerWaalsContact CB-O 3.32Å; A520-S547 WeakPolarHBondContact CB-O 3.25Å; Q545-S547 VanDerWaalsContact C-N 3.31Å; Q545-S547 PolarHBondContact O-N 3.41Å; S547-A549 PolarHBondContact O-N 3.27Å; S547-A549 PolarHBondContact OG-N 3.39Å
548R67.1Low80Confident240 Ų24061.7 Ų61.791%0.90633%0.331SS*.  trans-77.2-3.3176-67.6-173.6179-177.6-0.3112.5K546K546-R548 PolarHBondContact O-N 3.2Å; K546-R548 VanDerWaalsContact O-N 3.08Å
549A77.1Confident81Confident49 Ų4954.2 Ų54.241%0.40530%0.299SS..  trans-85.7127.3-179.400000110.1S547 F551S547-A549 PolarHBondContact O-N 3.27Å; S547-A549 PolarHBondContact OG-N 3.39Å; A549-F551 WeakPolarHBondContact O-CE2 3.41Å
550T89.6Confident82.2Confident68 Ų6849.7 Ų49.742%0.41727%0.274SS..  trans-75148.5168.755.10000109.7Q230 M518Q230-T550 PolarHBondContact NE2-O 3Å; Q230-T550 PolarHBondContact OE1-O 2.88Å; M518-T550 CarbonylContact O-C 3.58Å; M518-T550 WeakPolarHBondContact O-CA 3.47Å
551F91.8Very high83.3Confident5 Ų546.8 Ų46.82%0.02225%0.25CS..  trans-108.7142179.6-65.1-93.7000112I185 L233 M518 A549 K577I185-F551 HydrophobicContact CD1-CE1 4.01Å; I185-F551 HydrophobicContact CD1-CZ 4.06Å; L233-F551 HydrophobicContact CB-CB 4.2Å; L233-F551 HydrophobicContact CB-CD1 3.71Å; L233-F551 HydrophobicContact CB-CD2 4.2Å; L233-F551 HydrophobicContact CB-CE1 4.05Å; L233-F551 HydrophobicContact CB-CG 3.78Å; L233-F551 HydrophobicContact CB-CZ 4.45Å; L233-F551 HydrophobicContact CD1-CD2 4.38Å; L233-F551 HydrophobicContact CD1-CE1 4.3Å; L233-F551 HydrophobicContact CD1-CE2 4Å; L233-F551 HydrophobicContact CD1-CZ 3.95Å; L233-F551 HydrophobicContact CD2-CD2 3.93Å; L233-F551 HydrophobicContact CD2-CE2 4.28Å; L233-F551 HydrophobicContact CD2-CG 4.25Å; L233-F551 HydrophobicContact CG-CD2 4.41Å; L233-F551 HydrophobicContact CG-CG 4.47Å; M518-F551 HydrophobicContact CE-CB 4.23Å; M518-F551 WeakPolarHBondContact CE-O 3.29Å; M518-F551 HydrophobicContact CG-CB 4.46Å; M518-F551 PolarHBondContact O-N 3.5Å; A549-F551 WeakPolarHBondContact O-CE2 3.41Å; F551-K577 WeakPolarHBondContact O-CE 3.48Å; F551-K577 PolarHBondContact O-NZ 3.29Å
552N91.9Very high84.4Confident100 Ų10044.8 Ų44.854%0.53524%0.238SC..SBendtrans-96.6-20.1174.3-68.4-33.9000113.2K577 R578N552-K577 WeakPolarHBondContact O-CA 3.41Å; N552-K577 WeakPolarHBondContact O-CB 3.49Å; N552-R578 PolarHBondContact O-N 3.06Å
553E93.7Very high85.5Confident42 Ų4244 Ų4420%0.19623%0.23CC..EExtended strand (participates in β ladder)trans-131.5133.1179.9-174.3171.6-158.300110.2P232 L233 R578P232-E553 WeakPolarHBondContact CA-O 3.38Å; P232-E553 HydrophobicContact CB-CB 4.05Å; P232-E553 HydrophobicContact CB-CG 3.84Å; L233-E553 PolarHBondContact N-O 3.26Å; E553-R578 CarbonylContact C-O 3.54Å; E553-R578 VanDerWaalsContact CA-O 3.25Å; E553-R578 WeakPolarHBondContact CA-O 3.41Å; E553-R578 HydrophobicContact CB-CB 4.39Å; E553-R578 HydrophobicContact CG-CB 4.09Å; E553-R578 HydrophobicContact CG-CG 4.26Å; E553-R578 WeakPolarHBondContact OE1-CD 3.46Å; E553-R578 IonicContact OE1-CZ 3.14Å; E553-R578 IonicContact OE1-NE 3.65Å; E553-R578 IonicContact OE1-NH1 3.24Å; E553-R578 PolarHBondContact OE1-NH1 3.38Å
554A96Very high86.9Confident0 Ų040.4 Ų40.40%021%0.207CC..EExtended strand (participates in β ladder)trans-133.8143.1172.800000112.3L233 M518 V556 R578 I579 I580L233-A554 HydrophobicContact CB-CB 4.32Å; L233-A554 CarbonylContact O-C 3.57Å; L233-A554 WeakPolarHBondContact O-CA 3.35Å; M518-A554 HydrophobicContact CE-CB 3.61Å; M518-A554 HydrophobicContact CG-CB 4.08Å; M518-A554 HydrophobicContact SD-CB 3.54Å; M518-A554 VanDerWaalsContact SD-CB 3.54Å; A554-V556 HydrophobicContact CB-CG2 4.39Å; A554-R578 PolarHBondContact N-O 3.26Å; A554-I579 CarbonylContact O-C 3.59Å; A554-I579 WeakPolarHBondContact O-CA 3.45Å; A554-I580 PolarHBondContact O-N 2.97Å
555I98.1Very high88.4Confident1 Ų139.7 Ų39.71%0.00520%0.199CC..EExtended strand (participates in β ladder)trans-107123.1164.9-53.9169.4000105.5F136 L180 L233 L234 I235 I580F136-I555 HydrophobicContact CE1-CG2 4.04Å; F136-I555 HydrophobicContact CZ-CG2 4.28Å; L180-I555 HydrophobicContact CD1-CD1 3.57Å; L180-I555 HydrophobicContact CD1-CG1 4.22Å; L233-I555 PolarHBondContact O-N 3.4Å; L234-I555 CarbonylContact C-O 3.44Å; L234-I555 WeakPolarHBondContact CA-O 3.39Å; L234-I555 HydrophobicContact CD1-CB 3.79Å; L234-I555 HydrophobicContact CD1-CG2 3.68Å; I235-I555 PolarHBondContact N-O 3.01Å; I555-I580 CarbonylContact C-O 3.58Å; I555-I580 WeakPolarHBondContact CA-O 3.4Å
556V98.5Very high90.1Very high0 Ų033.7 Ų33.70%017%0.171CC..EExtended strand (participates in β ladder)trans-115.9118.9-176.3-1760000107.8I235 L510 V514 A554 L570 I579 I580 F581 G582I235-V556 HydrophobicContact CD1-CG2 4.48Å; I235-V556 CarbonylContact O-C 3.3Å; I235-V556 WeakPolarHBondContact O-CA 3.48Å; L510-V556 HydrophobicContact CD1-CG1 3.74Å; L510-V556 HydrophobicContact CD2-CG1 4.07Å; L510-V556 HydrophobicContact CG-CG1 4.09Å; V514-V556 HydrophobicContact CG1-CG2 4.38Å; V514-V556 HydrophobicContact CG2-CB 4.43Å; V514-V556 HydrophobicContact CG2-CG1 3.92Å; V514-V556 HydrophobicContact CG2-CG2 3.59Å; A554-V556 HydrophobicContact CB-CG2 4.39Å; V556-L570 HydrophobicContact CB-CD1 4.28Å; V556-L570 HydrophobicContact CG1-CD1 4.22Å; V556-L570 HydrophobicContact CG2-CD1 4.49Å; V556-I579 HydrophobicContact CG2-CG2 4.01Å; V556-I580 PolarHBondContact N-O 3.21Å; V556-F581 HydrophobicContact CB-CD2 4.29Å; V556-F581 HydrophobicContact CG1-CD2 4.28Å; V556-F581 CarbonylContact O-C 3.51Å; V556-G582 PolarHBondContact O-N 3.19Å
557F98.7Very high91.9Very high0 Ų028 Ų280%015%0.146CC..EExtended strand (participates in β ladder)trans-118.4122.9-176.3-169.9-105.8000112.1F136 L138 L173 L234 I235 I236 C237 I559 G582 C583 T584F136-F557 AromaticContact CE2-CD2 3.76Å; F136-F557 HydrophobicContact CE2-CD2 3.76Å; F136-F557 AromaticContact CE2-CE2 3.83Å; F136-F557 HydrophobicContact CE2-CE2 3.83Å; F136-F557 AromaticContact CZ-CD2 3.84Å; F136-F557 HydrophobicContact CZ-CD2 3.84Å; F136-F557 HydrophobicContact CZ-CE2 4.39Å; L138-F557 HydrophobicContact CD1-CE1 4.36Å; L138-F557 HydrophobicContact CD1-CE2 3.99Å; L138-F557 HydrophobicContact CD1-CZ 3.44Å; L138-F557 VanDerWaalsContact CD1-CZ 3.44Å; L138-F557 HydrophobicContact CD2-CE2 4.15Å; L138-F557 HydrophobicContact CD2-CZ 4.44Å; L138-F557 HydrophobicContact CG-CE2 3.75Å; L138-F557 HydrophobicContact CG-CZ 3.68Å; L173-F557 HydrophobicContact CD1-CD1 3.88Å; L173-F557 HydrophobicContact CD1-CE1 4.25Å; L173-F557 HydrophobicContact CD1-CG 4.14Å; L173-F557 HydrophobicContact CD2-CB 4.02Å; L173-F557 HydrophobicContact CD2-CD1 4.22Å; L173-F557 HydrophobicContact CD2-CD2 3.62Å; L173-F557 HydrophobicContact CD2-CE2 4.11Å; L173-F557 HydrophobicContact CD2-CG 3.68Å; L173-F557 HydrophobicContact CG-CD1 4.36Å; L173-F557 HydrophobicContact CG-CD2 4.42Å; L173-F557 HydrophobicContact CG-CG 4.31Å; L234-F557 HydrophobicContact CD1-CB 4.5Å; I235-F557 PolarHBondContact O-N 3.4Å; I236-F557 HydrophobicContact CG2-CD1 4.31Å; C237-F557 PolarHBondContact N-O 3.19Å; F557-I559 HydrophobicContact CD1-CG1 3.9Å; F557-I559 HydrophobicContact CE1-CG1 3.71Å; F557-G582 CarbonylContact C-O 3.56Å; F557-G582 VanDerWaalsContact CA-O 3.25Å; F557-G582 WeakPolarHBondContact CA-O 3.33Å; F557-C583 WeakPolarHBondContact CE2-O 3.36Å; F557-T584 HydrophobicContact CE1-CG2 4.22Å; F557-T584 HydrophobicContact CZ-CG2 3.97Å
558M98.2Very high93.4Very high0 Ų026.6 Ų26.60%013%0.134CC..EExtended strand (participates in β ladder)trans-102.7115.7177.3-17462.368.200111.8C237 D238 R239 L510 G561 F581 G582 C583 T584C237-M558 HydrophobicContact CB-CE 4.06Å; C237-M558 HydrophobicContact CB-SD 4.14Å; D238-M558 VanDerWaalsContact C-SD 3.57Å; R239-M558 HydrophobicContact CB-SD 4.43Å; L510-M558 HydrophobicContact CB-CE 4.31Å; L510-M558 HydrophobicContact CD1-CE 3.65Å; L510-M558 HydrophobicContact CD2-CE 3.7Å; L510-M558 HydrophobicContact CG-CE 4.08Å; M558-G561 VanDerWaalsContact CG-O 3.26Å; M558-G561 WeakPolarHBondContact CG-O 3.49Å; M558-F581 HydrophobicContact CB-CE2 4.12Å; M558-F581 HydrophobicContact CB-CZ 4.28Å; M558-G582 PolarHBondContact N-O 3.3Å; M558-C583 HydrophobicContact CB-CB 4.07Å; M558-C583 WeakPolarHBondContact O-CA 3.36Å; M558-C583 WeakPolarHBondContact O-CB 3.48Å; M558-T584 PolarHBondContact O-N 2.87Å; M558-T584 VanDerWaalsContact O-N 3.12Å
559I97.8Very high94.7Very high3 Ų316.1 Ų16.12%0.01510%0.096CC..EExtended strand (participates in β ladder)trans-83129.1174.2-64.1174.2000109.8I152 M169 A193 A194 V197 I236 C237 R239 F557 T584I152-I559 HydrophobicContact CD1-CG2 3.62Å; M169-I559 HydrophobicContact CE-CG2 4.38Å; M169-I559 HydrophobicContact SD-CB 4.46Å; M169-I559 HydrophobicContact SD-CD1 4.19Å; M169-I559 HydrophobicContact SD-CG1 3.94Å; M169-I559 HydrophobicContact SD-CG2 3.84Å; A193-I559 HydrophobicContact CB-CD1 4.45Å; A193-I559 HydrophobicContact CB-CG2 4.27Å; A194-I559 HydrophobicContact CB-CD1 4.06Å; V197-I559 HydrophobicContact CB-CD1 4.19Å; V197-I559 HydrophobicContact CG2-CD1 3.86Å; I236-I559 HydrophobicContact CG2-CD1 3.64Å; I236-I559 HydrophobicContact CG2-CG1 4.17Å; C237-I559 PolarHBondContact O-N 3.01Å; R239-I559 VanDerWaalsContact CB-O 3.27Å; R239-I559 WeakPolarHBondContact CB-O 3.4Å; R239-I559 PolarHBondContact N-O 3.35Å; F557-I559 HydrophobicContact CD1-CG1 3.9Å; F557-I559 HydrophobicContact CE1-CG1 3.71Å; I559-T584 HydrophobicContact CG2-CG2 4.48Å
560G93.2Very high95.6Very high1 Ų113.9 Ų13.91%0.018%0.077CC..THydrogen-bonded Turntrans87.633.4177.200000113.6F149 R239 T584F149-G560 WeakPolarHBondContact CB-O 3.5Å; R239-G560 WeakPolarHBondContact CB-O 3.4Å; R239-G560 WeakPolarHBondContact CG-O 3.46Å; G560-T584 PolarHBondContact N-OG1 3.49Å; G560-T584 VanDerWaalsContact N-OG1 3.11Å
561G95.3Very high95.8Very high0 Ų011.9 Ų11.90%06%0.064CC..  trans102.6123.6173.300000113.9R239 M558 T584 E585R239-G561 WeakPolarHBondContact CD-O 3.39Å; R239-G561 PolarHBondContact NH1-O 2.7Å; R239-G561 VanDerWaalsContact NH1-O 3.09Å; M558-G561 VanDerWaalsContact CG-O 3.26Å; M558-G561 WeakPolarHBondContact CG-O 3.49Å; G561-T584 PolarHBondContact N-OG1 2.87Å; G561-T584 VanDerWaalsContact N-OG1 3.07Å; G561-E585 CarbonylContact C-O 3.6Å; G561-E585 VanDerWaalsContact CA-O 3.32Å; G561-E585 WeakPolarHBondContact CA-O 3.5Å
562G97.4Very high95.7Very high0 Ų016.3 Ų16.30%09%0.088CC..BIsolated β-bridgetrans-104.7166.4168.700000111.3E585 L586 V587G562-E585 PolarHBondContact N-O 3.29Å; G562-L586 WeakPolarHBondContact O-CA 3.28Å; G562-V587 PolarHBondContact O-N 3.34Å
563T97.5Very high95.7Very high9 Ų912.2 Ų12.26%0.0557%0.065CC..  trans-130.3154.3178.665.90000111.6P246 A565 E566 Y567 V587P246-T563 HydrophobicContact CB-CG2 4Å; P246-T563 HydrophobicContact CG-CG2 4.01Å; T563-A565 PolarHBondContact O-N 2.93Å; T563-E566 PolarHBondContact N-OE2 3.48Å; T563-E566 PolarHBondContact O-N 3.3Å; T563-E566 VanDerWaalsContact OG1-CG 3.27Å; T563-E566 WeakPolarHBondContact OG1-CG 3.45Å; T563-E566 PolarHBondContact OG1-N 2.95Å; T563-E566 PolarHBondContact OG1-OE2 3.07Å; T563-Y567 PolarHBondContact O-N 3.17Å; T563-Y567 VanDerWaalsContact O-N 3.15Å; T563-V587 HydrophobicContact CG2-CG2 4.5Å
564Y97.2Very high95.4Very high6 Ų615 Ų152%0.0247%0.074CC..Hα-helixtrans-64.2-26.3171-77.3-64.3000112.8L135 Q254 H258 F263 Y567 Q568 L586L135-Y564 HydrophobicContact CD2-CD1 4.13Å; L135-Y564 HydrophobicContact CD2-CE1 3.51Å; Q254-Y564 HydrophobicContact CG-CD1 3.51Å; Q254-Y564 HydrophobicContact CG-CD2 4.11Å; Q254-Y564 HydrophobicContact CG-CE1 3.65Å; Q254-Y564 HydrophobicContact CG-CE2 4.23Å; Q254-Y564 HydrophobicContact CG-CG 3.74Å; H258-Y564 HydrophobicContact CB-CD2 3.55Å; H258-Y564 HydrophobicContact CB-CE2 3.8Å; H258-Y564 AromaticContact CD2-CE2 3.69Å; H258-Y564 AromaticContact CG-CD2 3.56Å; H258-Y564 AromaticContact CG-CE2 3.64Å; H258-Y564 AromaticContact ND1-CD2 3.84Å; F263-Y564 AromaticContact CD1-CE2 3.97Å; F263-Y564 HydrophobicContact CD1-CE2 3.97Å; F263-Y564 AromaticContact CE1-CE2 3.81Å; F263-Y564 HydrophobicContact CE1-CE2 3.81Å; F263-Y564 AromaticContact CE1-CZ 3.8Å; F263-Y564 WeakPolarHBondContact CE1-OH 3.47Å; Y564-Y567 HydrophobicContact CD1-CD1 4.02Å; Y564-Y567 PolarHBondContact O-N 3.19Å; Y564-Q568 WeakPolarHBondContact O-CB 3.45Å; Y564-Q568 VanDerWaalsContact O-CG 3.24Å; Y564-Q568 WeakPolarHBondContact O-CG 3.27Å; Y564-Q568 PolarHBondContact O-N 3.41Å; Y564-L586 HydrophobicContact CD2-CD2 4.45Å; Y564-L586 HydrophobicContact CE1-CD1 4.1Å; Y564-L586 HydrophobicContact CE2-CD1 3.88Å
565A94.4Very high94.7Very high19 Ų1923.2 Ų23.216%0.15711%0.109CC..Hα-helixtrans-62.5-43.8174.300000111.5T245 T250 T563 N569T245-A565 HydrophobicContact CG2-CB 4.18Å; T250-A565 HydrophobicContact CG2-CB 4.01Å; T563-A565 PolarHBondContact O-N 2.93Å; A565-N569 VanDerWaalsContact O-CB 3.27Å; A565-N569 WeakPolarHBondContact O-CB 3.32Å; A565-N569 PolarHBondContact O-N 3.45Å
566E96.3Very high94Very high0 Ų029 Ų290%015%0.15CC..Hα-helixtrans-66.2-44.9175.9-69.8168.8126.200112.1R239 T245 L508 L510 T563 Q568 N569 L570 F581R239-E566 IonicContact CZ-OE1 2.75Å; R239-E566 IonicContact NH1-OE1 3.22Å; R239-E566 PolarHBondContact NH1-OE1 2.82Å; R239-E566 IonicContact NH1-OE2 2.81Å; R239-E566 PolarHBondContact NH1-OE2 3.11Å; R239-E566 IonicContact NH2-OE1 3.15Å; R239-E566 PolarHBondContact NH2-OE1 3.07Å; T245-E566 HydrophobicContact CG2-CG 3.89Å; L508-E566 HydrophobicContact CD1-CG 4.13Å; L510-E566 HydrophobicContact CD2-CB 4.2Å; L510-E566 HydrophobicContact CD2-CG 4.41Å; T563-E566 PolarHBondContact N-OE2 3.48Å; T563-E566 PolarHBondContact O-N 3.3Å; T563-E566 VanDerWaalsContact OG1-CG 3.27Å; T563-E566 WeakPolarHBondContact OG1-CG 3.45Å; T563-E566 PolarHBondContact OG1-N 2.95Å; T563-E566 PolarHBondContact OG1-OE2 3.07Å; E566-Q568 PolarHBondContact O-N 2.85Å; E566-N569 PolarHBondContact O-N 3.45Å; E566-L570 WeakPolarHBondContact O-CG 3.38Å; E566-L570 PolarHBondContact O-N 3.44Å; E566-F581 HydrophobicContact CB-CE1 4.37Å; E566-F581 HydrophobicContact CB-CZ 4.08Å
567Y97.1Very high93.7Very high1 Ų130 Ų300%0.00416%0.155CC..Hα-helixtrans-53.6-55.1174.6170.8-123.5000111.4E132 D134 L135 T563 Y564 N569 L570 L571 F581E132-Y567 WeakPolarHBondContact CB-OH 3.38Å; E132-Y567 HydrophobicContact CG-CE1 4.18Å; D134-Y567 PolarHBondContact OD1-OH 3.22Å; L135-Y567 HydrophobicContact CB-CD2 4.31Å; L135-Y567 HydrophobicContact CB-CE2 3.96Å; L135-Y567 HydrophobicContact CD1-CD2 4.14Å; L135-Y567 HydrophobicContact CD1-CG 4.3Å; L135-Y567 HydrophobicContact CD2-CD1 4.24Å; L135-Y567 HydrophobicContact CD2-CE1 4.32Å; L135-Y567 HydrophobicContact CD2-CG 4.36Å; T563-Y567 PolarHBondContact O-N 3.17Å; T563-Y567 VanDerWaalsContact O-N 3.15Å; Y564-Y567 HydrophobicContact CD1-CD1 4.02Å; Y564-Y567 PolarHBondContact O-N 3.19Å; Y567-N569 VanDerWaalsContact C-N 3.28Å; Y567-N569 PolarHBondContact O-N 2.69Å; Y567-L570 WeakPolarHBondContact O-CB 3.38Å; Y567-L570 PolarHBondContact O-N 2.91Å; Y567-L570 VanDerWaalsContact O-N 3.16Å; Y567-L571 HydrophobicContact CD1-CD1 4.37Å; Y567-L571 HydrophobicContact CD2-CD1 4.39Å; Y567-L571 HydrophobicContact CD2-CG 4.2Å; Y567-L571 HydrophobicContact CE1-CD1 3.8Å; Y567-L571 HydrophobicContact CE2-CD1 3.79Å; Y567-L571 HydrophobicContact CE2-CD2 3.89Å; Y567-L571 HydrophobicContact CE2-CG 3.85Å; Y567-L571 VanDerWaalsContact CZ-CD1 3.48Å; Y567-L571 WeakPolarHBondContact O-CG 3.46Å; Y567-L571 PolarHBondContact O-N 3.44Å; Y567-F581 HydrophobicContact CD2-CB 4.05Å; Y567-F581 HydrophobicContact CD2-CD1 4.29Å; Y567-F581 HydrophobicContact CG-CD1 4.4Å
568Q94.4Very high93.4Very high15 Ų1536.3 Ų36.37%0.0718%0.178CC..Hα-helixtrans-62.9-36-179.7-67.4-62.9-18.500111.9G294 Y564 E566 L570 L571 D572G294-Q568 VanDerWaalsContact CA-CD 3.46Å; Y564-Q568 WeakPolarHBondContact O-CB 3.45Å; Y564-Q568 VanDerWaalsContact O-CG 3.24Å; Y564-Q568 WeakPolarHBondContact O-CG 3.27Å; Y564-Q568 PolarHBondContact O-N 3.41Å; E566-Q568 PolarHBondContact O-N 2.85Å; Q568-L570 PolarHBondContact O-N 3.12Å; Q568-L571 WeakPolarHBondContact O-CB 2.89Å; Q568-L571 PolarHBondContact O-N 3.04Å; Q568-D572 PolarHBondContact O-N 3.03Å
569N94.5Very high93.4Very high20 Ų2036.5 Ų36.511%0.10718%0.179CC..Hα-helixtrans-66.4-37.1176.6-161-117.1000113R506 L508 T511 A565 E566 Y567 D572 Y573R506-N569 PolarHBondContact O-ND2 3.36Å; R506-N569 PolarHBondContact O-OD1 3.16Å; L508-N569 HydrophobicContact CD1-CB 3.77Å; L508-N569 HydrophobicContact CG-CB 4.12Å; L508-N569 PolarHBondContact N-OD1 2.95Å; T511-N569 VanDerWaalsContact CB-OD1 3.29Å; T511-N569 WeakPolarHBondContact CB-OD1 3.43Å; T511-N569 PolarHBondContact OG1-OD1 3.02Å; A565-N569 VanDerWaalsContact O-CB 3.27Å; A565-N569 WeakPolarHBondContact O-CB 3.32Å; A565-N569 PolarHBondContact O-N 3.45Å; E566-N569 PolarHBondContact O-N 3.45Å; Y567-N569 VanDerWaalsContact C-N 3.28Å; Y567-N569 PolarHBondContact O-N 2.69Å; N569-D572 PolarHBondContact O-N 2.68Å; N569-Y573 WeakPolarHBondContact O-CB 3.43Å; N569-Y573 PolarHBondContact O-N 2.67Å
570L95.9Very high93.4Very high1 Ų136.8 Ų36.81%0.00518%0.181CC..Hα-helixtrans-67.4-37.9172.4-70.6172.6000111.6L510 T511 V514 V556 E566 Y567 Q568 Y573 R574 I579 F581L510-L570 HydrophobicContact CD2-CD1 4.1Å; T511-L570 HydrophobicContact CG2-CD2 4.45Å; V514-L570 HydrophobicContact CB-CD2 4.16Å; V514-L570 HydrophobicContact CG1-CD2 4.3Å; V514-L570 HydrophobicContact CG2-CD2 3.84Å; V556-L570 HydrophobicContact CB-CD1 4.28Å; V556-L570 HydrophobicContact CG1-CD1 4.22Å; V556-L570 HydrophobicContact CG2-CD1 4.49Å; E566-L570 WeakPolarHBondContact O-CG 3.38Å; E566-L570 PolarHBondContact O-N 3.44Å; Y567-L570 WeakPolarHBondContact O-CB 3.38Å; Y567-L570 PolarHBondContact O-N 2.91Å; Y567-L570 VanDerWaalsContact O-N 3.16Å; Q568-L570 PolarHBondContact O-N 3.12Å; L570-Y573 PolarHBondContact O-N 2.77Å; L570-R574 PolarHBondContact O-N 3.11Å; L570-I579 HydrophobicContact CB-CG2 4.22Å; L570-I579 HydrophobicContact CD1-CG2 4.42Å; L570-F581 HydrophobicContact CD1-CB 4.04Å; L570-F581 HydrophobicContact CD1-CD2 3.58Å; L570-F581 HydrophobicContact CD1-CE2 4.29Å; L570-F581 HydrophobicContact CD1-CG 3.93Å
571L93.3Very high93.6Very high27 Ų2736.8 Ų36.814%0.14118%0.18CC..Hα-helixtrans-63.7-42.3174.2-66.2-173000112.6D134 Y567 Q568 Y573 R574D134-L571 WeakPolarHBondContact OD2-CD2 3.33Å; Y567-L571 HydrophobicContact CD1-CD1 4.37Å; Y567-L571 HydrophobicContact CD2-CD1 4.39Å; Y567-L571 HydrophobicContact CD2-CG 4.2Å; Y567-L571 HydrophobicContact CE1-CD1 3.8Å; Y567-L571 HydrophobicContact CE2-CD1 3.79Å; Y567-L571 HydrophobicContact CE2-CD2 3.89Å; Y567-L571 HydrophobicContact CE2-CG 3.85Å; Y567-L571 VanDerWaalsContact CZ-CD1 3.48Å; Y567-L571 WeakPolarHBondContact O-CG 3.46Å; Y567-L571 PolarHBondContact O-N 3.44Å; Q568-L571 WeakPolarHBondContact O-CB 2.89Å; Q568-L571 PolarHBondContact O-N 3.04Å; L571-Y573 VanDerWaalsContact C-N 3.28Å; L571-Y573 PolarHBondContact O-N 3.03Å; L571-R574 VanDerWaalsContact O-CG 3.26Å; L571-R574 WeakPolarHBondContact O-CG 3.47Å; L571-R574 PolarHBondContact O-N 2.69Å
572D90.9Very high93.8Very high98 Ų9836.8 Ų36.852%0.52418%0.18SC..Hα-helixtrans-64.4-35.9174.7-87.1-28.1000111.7K505 Q568 N569K505-D572 IonicContact NZ-OD1 2.66Å; Q568-D572 PolarHBondContact O-N 3.03Å; N569-D572 PolarHBondContact O-N 2.68Å
573Y91.8Very high93.8Very high14 Ų1436.8 Ų36.86%0.05518%0.18CC..Hα-helixtrans-70.7-34177.4168.5-100.7000113.4T511 V514 D515 M518 N569 L570 L571 K575 I579T511-Y573 VanDerWaalsContact CG2-CB 3.48Å; T511-Y573 HydrophobicContact CG2-CD1 4.34Å; T511-Y573 HydrophobicContact CG2-CD2 3.98Å; T511-Y573 HydrophobicContact CG2-CG 3.65Å; V514-Y573 HydrophobicContact CG1-CD1 4.39Å; V514-Y573 HydrophobicContact CG1-CE1 4.05Å; D515-Y573 VanDerWaalsContact CA-OH 3.3Å; D515-Y573 WeakPolarHBondContact CA-OH 3.41Å; D515-Y573 HydrophobicContact CB-CD2 4.44Å; D515-Y573 HydrophobicContact CB-CE2 3.57Å; D515-Y573 WeakPolarHBondContact OD1-CE2 3.27Å; D515-Y573 PolarHBondContact OD1-OH 3.47Å; M518-Y573 HydrophobicContact SD-CE1 4.45Å; N569-Y573 WeakPolarHBondContact O-CB 3.43Å; N569-Y573 PolarHBondContact O-N 2.67Å; L570-Y573 PolarHBondContact O-N 2.77Å; L571-Y573 VanDerWaalsContact C-N 3.28Å; L571-Y573 PolarHBondContact O-N 3.03Å; Y573-K575 WeakPolarHBondContact O-CG 3.16Å; Y573-K575 PolarHBondContact O-N 2.93Å; Y573-I579 HydrophobicContact CD1-CD1 3.53Å; Y573-I579 HydrophobicContact CE1-CD1 3.89Å
574R86.9Confident93.9Very high101 Ų10136.4 Ų36.438%0.38118%0.178SC..  trans-55-21.5-161.781.5-168.1169169.50.1115.3D134 L570 L571 S576 K577 I579D134-R574 IonicContact OD2-NH1 3.42Å; D134-R574 PolarHBondContact OD2-NH1 3.21Å; L570-R574 PolarHBondContact O-N 3.11Å; L571-R574 VanDerWaalsContact O-CG 3.26Å; L571-R574 WeakPolarHBondContact O-CG 3.47Å; L571-R574 PolarHBondContact O-N 2.69Å; R574-S576 PolarHBondContact O-N 3.09Å; R574-K577 WeakPolarHBondContact O-CA 3.32Å; R574-K577 VanDerWaalsContact O-CB 3.24Å; R574-K577 WeakPolarHBondContact O-CB 3.47Å; R574-K577 PolarHBondContact O-N 3.24Å; R574-I579 HydrophobicContact CB-CB 4.49Å; R574-I579 HydrophobicContact CB-CD1 3.78Å; R574-I579 HydrophobicContact CB-CG1 4.05Å
575K81Confident93.8Very high171 Ų17136.1 Ų36.174%0.74318%0.177SC*.THydrogen-bonded Turntrans49.2-109.3-177.1-67.2174.7-172.6174.10110.4Y573Y573-K575 WeakPolarHBondContact O-CG 3.16Å; Y573-K575 PolarHBondContact O-N 2.93Å
576S84.3Confident94Very high122 Ų12235.7 Ų35.785%0.85317%0.172SC*.THydrogen-bonded Turntrans-106.27.3176.163.30000113.7R574R574-S576 PolarHBondContact O-N 3.09Å
577K90.9Very high94Very high23 Ų2335.8 Ų35.810%0.117%0.172CC..SBendtrans-90.7154.9179.9-61178.2166.1-171.10110.3M518 E519 F551 N552 R574M518-K577 HydrophobicContact CE-CB 4.2Å; M518-K577 HydrophobicContact CE-CD 3.75Å; M518-K577 HydrophobicContact CE-CG 4.42Å; M518-K577 HydrophobicContact SD-CD 4.28Å; E519-K577 VanDerWaalsContact OE1-CE 3.32Å; E519-K577 WeakPolarHBondContact OE1-CE 3.3Å; E519-K577 IonicContact OE1-NZ 3.57Å; E519-K577 PolarHBondContact OE1-NZ 3.44Å; E519-K577 IonicContact OE2-NZ 3.43Å; E519-K577 PolarHBondContact OE2-NZ 3.29Å; E519-K577 VanDerWaalsContact OE2-NZ 3.15Å; F551-K577 WeakPolarHBondContact O-CE 3.48Å; F551-K577 PolarHBondContact O-NZ 3.29Å; N552-K577 WeakPolarHBondContact O-CA 3.41Å; N552-K577 WeakPolarHBondContact O-CB 3.49Å; R574-K577 WeakPolarHBondContact O-CA 3.32Å; R574-K577 VanDerWaalsContact O-CB 3.24Å; R574-K577 WeakPolarHBondContact O-CB 3.47Å; R574-K577 PolarHBondContact O-N 3.24Å
578R94Very high93.9Very high132 Ų13236.9 Ų36.950%0.49818%0.178SC..EExtended strand (participates in β ladder)trans-94.7124.6172-174.4174.6-178.6-154.99.8109.1N552 E553 A554N552-R578 PolarHBondContact O-N 3.06Å; E553-R578 CarbonylContact C-O 3.54Å; E553-R578 VanDerWaalsContact CA-O 3.25Å; E553-R578 WeakPolarHBondContact CA-O 3.41Å; E553-R578 HydrophobicContact CB-CB 4.39Å; E553-R578 HydrophobicContact CG-CB 4.09Å; E553-R578 HydrophobicContact CG-CG 4.26Å; E553-R578 WeakPolarHBondContact OE1-CD 3.46Å; E553-R578 IonicContact OE1-CZ 3.14Å; E553-R578 IonicContact OE1-NE 3.65Å; E553-R578 IonicContact OE1-NH1 3.24Å; E553-R578 PolarHBondContact OE1-NH1 3.38Å; A554-R578 PolarHBondContact N-O 3.26Å
579I96.6Very high94Very high4 Ų436.2 Ų36.22%0.02118%0.176CC..EExtended strand (participates in β ladder)trans-127.6126176.8-59.7179.6000107.3D134 V514 M518 A554 V556 L570 Y573 R574D134-I579 WeakPolarHBondContact CB-O 3.17Å; V514-I579 HydrophobicContact CG1-CD1 4.24Å; M518-I579 HydrophobicContact SD-CD1 4.29Å; M518-I579 HydrophobicContact SD-CG1 4.35Å; A554-I579 CarbonylContact O-C 3.59Å; A554-I579 WeakPolarHBondContact O-CA 3.45Å; V556-I579 HydrophobicContact CG2-CG2 4.01Å; L570-I579 HydrophobicContact CB-CG2 4.22Å; L570-I579 HydrophobicContact CD1-CG2 4.42Å; Y573-I579 HydrophobicContact CD1-CD1 3.53Å; Y573-I579 HydrophobicContact CE1-CD1 3.89Å; R574-I579 HydrophobicContact CB-CB 4.49Å; R574-I579 HydrophobicContact CB-CD1 3.78Å; R574-I579 HydrophobicContact CB-CG1 4.05Å
580I97.9Very high94.1Very high9 Ų938.2 Ų38.25%0.04619%0.188CC..EExtended strand (participates in β ladder)trans-108.8120.8171.7-58.6173.5000106.5F136 L180 A554 I555 V556F136-I580 HydrophobicContact CD1-CG2 3.78Å; F136-I580 HydrophobicContact CE1-CG2 3.87Å; L180-I580 HydrophobicContact CD1-CD1 3.74Å; L180-I580 HydrophobicContact CD2-CD1 3.9Å; L180-I580 HydrophobicContact CG-CD1 4.5Å; A554-I580 PolarHBondContact O-N 2.97Å; I555-I580 CarbonylContact C-O 3.58Å; I555-I580 WeakPolarHBondContact CA-O 3.4Å; V556-I580 PolarHBondContact N-O 3.21Å
581F98.5Very high94.1Very high1 Ų139.6 Ų39.60%0.00420%0.195CC..EExtended strand (participates in β ladder)trans-95.2139.3175.4-178-125000110.4D134 L135 F136 L510 V556 M558 E566 Y567 L570 C583D134-F581 PolarHBondContact O-N 3Å; L135-F581 WeakPolarHBondContact CA-O 3.11Å; L135-F581 HydrophobicContact CD1-CB 4.31Å; L135-F581 HydrophobicContact CD1-CD1 3.52Å; L135-F581 HydrophobicContact CD1-CE1 4.28Å; L135-F581 HydrophobicContact CD1-CG 4.31Å; F136-F581 WeakPolarHBondContact CD1-O 3.37Å; F136-F581 PolarHBondContact N-O 3.3Å; L510-F581 HydrophobicContact CD2-CD2 4.37Å; L510-F581 HydrophobicContact CD2-CE2 3.71Å; L510-F581 HydrophobicContact CD2-CZ 4.41Å; V556-F581 HydrophobicContact CB-CD2 4.29Å; V556-F581 HydrophobicContact CG1-CD2 4.28Å; V556-F581 CarbonylContact O-C 3.51Å; M558-F581 HydrophobicContact CB-CE2 4.12Å; M558-F581 HydrophobicContact CB-CZ 4.28Å; E566-F581 HydrophobicContact CB-CE1 4.37Å; E566-F581 HydrophobicContact CB-CZ 4.08Å; Y567-F581 HydrophobicContact CD2-CB 4.05Å; Y567-F581 HydrophobicContact CD2-CD1 4.29Å; Y567-F581 HydrophobicContact CG-CD1 4.4Å; L570-F581 HydrophobicContact CD1-CB 4.04Å; L570-F581 HydrophobicContact CD1-CD2 3.58Å; L570-F581 HydrophobicContact CD1-CE2 4.29Å; L570-F581 HydrophobicContact CD1-CG 3.93Å; F581-C583 HydrophobicContact CZ-CB 4.48Å
582G98.6Very high94.3Very high0 Ų038.3 Ų38.30%019%0.188CC..EExtended strand (participates in β ladder)trans-140154.4175.800000111.9F136 V556 F557 M558F136-G582 WeakPolarHBondContact O-CA 3.41Å; V556-G582 PolarHBondContact O-N 3.19Å; F557-G582 CarbonylContact C-O 3.56Å; F557-G582 VanDerWaalsContact CA-O 3.25Å; F557-G582 WeakPolarHBondContact CA-O 3.33Å; M558-G582 PolarHBondContact N-O 3.3Å
583C98.6Very high94.5Very high0 Ų034.3 Ų34.30%017%0.167CC..EExtended strand (participates in β ladder)trans-149.1169.5171.155.40000111.9F136 I137 L138 F557 M558 F581 E585F136-C583 PolarHBondContact O-N 2.99Å; I137-C583 WeakPolarHBondContact CA-O 3.35Å; L138-C583 PolarHBondContact N-O 3.14Å; F557-C583 WeakPolarHBondContact CE2-O 3.36Å; M558-C583 HydrophobicContact CB-CB 4.07Å; M558-C583 WeakPolarHBondContact O-CA 3.36Å; M558-C583 WeakPolarHBondContact O-CB 3.48Å; F581-C583 HydrophobicContact CZ-CB 4.48Å; C583-E585 VanDerWaalsContact C-N 3.33Å; C583-E585 VanDerWaalsContact SG-C 3.53Å; C583-E585 PolarHBondContact SG-O 3.5Å
584T98Very high94.7Very high0 Ų036.8 Ų36.80%018%0.181CC..SBendtrans-59.3-48.3173.447.80000111.3L138 K139 L147 M169 F557 M558 I559 G560 G561L138-T584 PolarHBondContact N-O 2.95Å; K139-T584 PolarHBondContact N-O 3.36Å; L147-T584 HydrophobicContact CB-CG2 4.07Å; L147-T584 VanDerWaalsContact O-CB 3.31Å; L147-T584 WeakPolarHBondContact O-CB 3.18Å; L147-T584 PolarHBondContact O-OG1 2.9Å; L147-T584 VanDerWaalsContact O-OG1 3.08Å; M169-T584 HydrophobicContact CG-CG2 4.11Å; M169-T584 HydrophobicContact SD-CG2 3.6Å; M169-T584 VanDerWaalsContact SD-CG2 3.6Å; F557-T584 HydrophobicContact CE1-CG2 4.22Å; F557-T584 HydrophobicContact CZ-CG2 3.97Å; M558-T584 PolarHBondContact O-N 2.87Å; M558-T584 VanDerWaalsContact O-N 3.12Å; I559-T584 HydrophobicContact CG2-CG2 4.48Å; G560-T584 PolarHBondContact N-OG1 3.49Å; G560-T584 VanDerWaalsContact N-OG1 3.11Å; G561-T584 PolarHBondContact N-OG1 2.87Å; G561-T584 VanDerWaalsContact N-OG1 3.07Å
585E97.1Very high95.1Very high0 Ų032 Ų320%016%0.163CC..SBendtrans-153.2155.8177.854.2-174.3-162.500109.2S145 S148 G561 G562 C583 V587 Q595S145-E585 WeakPolarHBondContact CB-OE2 3.39Å; S145-E585 PolarHBondContact OG-OE2 3.49Å; S148-E585 WeakPolarHBondContact CA-OE1 3.21Å; S148-E585 WeakPolarHBondContact CB-OE1 3.31Å; G561-E585 CarbonylContact C-O 3.6Å; G561-E585 VanDerWaalsContact CA-O 3.32Å; G561-E585 WeakPolarHBondContact CA-O 3.5Å; G562-E585 PolarHBondContact N-O 3.29Å; C583-E585 VanDerWaalsContact C-N 3.33Å; C583-E585 VanDerWaalsContact SG-C 3.53Å; C583-E585 PolarHBondContact SG-O 3.5Å; E585-V587 HydrophobicContact CG-CG1 4.07Å; E585-Q595 PolarHBondContact OE1-NE2 3.33Å
586L97.1Very high95.8Very high11 Ų1123.9 Ų23.96%0.05813%0.127CC..BIsolated β-bridgetrans-84.4134.6167.7-84.4166.1000108.9L131 L135 I137 G562 Y564L131-L586 HydrophobicContact CD1-CD1 3.38Å; L135-L586 HydrophobicContact CD2-CD1 4.42Å; I137-L586 HydrophobicContact CG2-CB 4.45Å; I137-L586 HydrophobicContact CG2-CD1 4Å; I137-L586 HydrophobicContact CG2-CG 3.77Å; G562-L586 WeakPolarHBondContact O-CA 3.28Å; Y564-L586 HydrophobicContact CD2-CD2 4.45Å; Y564-L586 HydrophobicContact CE1-CD1 4.1Å; Y564-L586 HydrophobicContact CE2-CD1 3.88Å
587V96.7Very high96.4Very high1 Ų118.9 Ų18.91%0.0069%0.092CC..  trans-127.7139.7178.5-64.60000110.6Y141 H258 G562 T563 E585 Q591 F592Y141-V587 HydrophobicContact CD2-CG1 3.97Å; Y141-V587 HydrophobicContact CE2-CG1 4.26Å; H258-V587 VanDerWaalsContact CE1-C 3.46Å; G562-V587 PolarHBondContact O-N 3.34Å; T563-V587 HydrophobicContact CG2-CG2 4.5Å; E585-V587 HydrophobicContact CG-CG1 4.07Å; V587-Q591 HydrophobicContact CB-CB 4.45Å; V587-F592 HydrophobicContact CB-CB 4.43Å; V587-F592 HydrophobicContact CG2-CB 4.22Å; V587-F592 HydrophobicContact CG2-CD2 4.21Å; V587-F592 HydrophobicContact CG2-CG 4.49Å
588N96Very high96.5Very high25 Ų2520.6 Ų20.613%0.13410%0.098CC..  trans-94.3176.1167.469.227.5000111.4H258 V590 Q591 F592H258-N588 PolarHBondContact CE1-N 3.38Å; H258-N588 WeakPolarHBondContact O-CB 3.48Å; H258-N588 PolarHBondContact O-ND2 2.72Å; N588-V590 VanDerWaalsContact C-N 3.27Å; N588-V590 PolarHBondContact O-N 3.48Å; N588-V590 PolarHBondContact OD1-N 3.34Å; N588-Q591 PolarHBondContact O-N 3.32Å; N588-Q591 WeakPolarHBondContact OD1-CB 3.49Å; N588-Q591 VanDerWaalsContact OD1-CG 3.25Å; N588-Q591 WeakPolarHBondContact OD1-CG 3.48Å; N588-Q591 PolarHBondContact OD1-N 3.38Å; N588-F592 WeakPolarHBondContact O-CB 3.37Å; N588-F592 PolarHBondContact O-N 3.34Å
589G96Very high96.5Very high1 Ų114.4 Ų14.41%0.017%0.074CC..Hα-helixtrans-62.5-33.5-174.700000113.8P246 D259 L593P246-G589 WeakPolarHBondContact O-CA 3.47Å; D259-G589 PolarHBondContact OD1-N 2.9Å; G589-L593 WeakPolarHBondContact O-CB 3.39Å; G589-L593 PolarHBondContact O-N 2.83Å
590V95.7Very high96.4Very high62 Ų6214.2 Ų14.238%0.3767%0.073SC..Hα-helixtrans-73.8-46.6178.8179.20000111E414 N588 F592 L593 D594E414-V590 HydrophobicContact CB-CG2 4.45Å; N588-V590 VanDerWaalsContact C-N 3.27Å; N588-V590 PolarHBondContact O-N 3.48Å; N588-V590 PolarHBondContact OD1-N 3.34Å; V590-F592 PolarHBondContact O-N 3.32Å; V590-L593 WeakPolarHBondContact O-CB 3Å; V590-L593 PolarHBondContact O-N 2.88Å; V590-D594 PolarHBondContact O-N 3.36Å
591Q96.4Very high96.2Very high30 Ų3016.8 Ų16.814%0.149%0.092CC..Hα-helixtrans-61.1-43.9177.7-71.3165.8-20.800111.3Y141 V587 N588 L593 D594 Q595Y141-Q591 HydrophobicContact CD1-CG 4.14Å; Y141-Q591 VanDerWaalsContact CD1-NE2 3.28Å; Y141-Q591 HydrophobicContact CE1-CB 4.23Å; Y141-Q591 HydrophobicContact CE1-CG 3.62Å; Y141-Q591 HydrophobicContact CE2-CB 3.97Å; Y141-Q591 HydrophobicContact CE2-CG 4.25Å; V587-Q591 HydrophobicContact CB-CB 4.45Å; N588-Q591 PolarHBondContact O-N 3.32Å; N588-Q591 WeakPolarHBondContact OD1-CB 3.49Å; N588-Q591 VanDerWaalsContact OD1-CG 3.25Å; N588-Q591 WeakPolarHBondContact OD1-CG 3.48Å; N588-Q591 PolarHBondContact OD1-N 3.38Å; Q591-L593 VanDerWaalsContact C-N 3.34Å; Q591-D594 PolarHBondContact O-N 2.96Å; Q591-Q595 WeakPolarHBondContact O-CG 3.33Å; Q591-Q595 PolarHBondContact O-N 3.45Å
592F96.7Very high95.7Very high0 Ų021 Ų210%011%0.112CC..Hα-helixtrans-68.8-34.9177.7-166.9-116.1000112.2F149 R239 L243 P246 F247 V587 N588 V590 Q595 L596F149-F592 HydrophobicContact CB-CE2 3.93Å; F149-F592 HydrophobicContact CD1-CE2 4.09Å; F149-F592 HydrophobicContact CD1-CZ 4.38Å; F149-F592 HydrophobicContact CD2-CE2 4.47Å; F149-F592 AromaticContact CG-CE2 3.92Å; F149-F592 HydrophobicContact CG-CE2 3.92Å; F149-F592 HydrophobicContact CG-CZ 4.45Å; R239-F592 HydrophobicContact CG-CE2 3.78Å; R239-F592 HydrophobicContact CG-CZ 3.65Å; L243-F592 HydrophobicContact CD2-CE1 4.37Å; L243-F592 HydrophobicContact CD2-CZ 3.89Å; P246-F592 HydrophobicContact CB-CB 4.11Å; P246-F592 HydrophobicContact CB-CD1 3.44Å; P246-F592 VanDerWaalsContact CB-CD1 3.44Å; P246-F592 HydrophobicContact CB-CE1 3.94Å; P246-F592 HydrophobicContact CB-CG 3.81Å; P246-F592 HydrophobicContact CG-CD1 3.94Å; P246-F592 HydrophobicContact CG-CE1 3.91Å; P246-F592 HydrophobicContact CG-CG 4.4Å; P246-F592 HydrophobicContact CG-CZ 4.37Å; F247-F592 HydrophobicContact CD1-CD1 4.27Å; F247-F592 AromaticContact CE1-CD1 3.59Å; F247-F592 HydrophobicContact CE1-CD1 3.59Å; F247-F592 HydrophobicContact CE1-CE1 4.34Å; F247-F592 HydrophobicContact CE1-CG 4.46Å; F247-F592 AromaticContact CE2-CD1 3.92Å; F247-F592 HydrophobicContact CE2-CD1 3.92Å; F247-F592 AromaticContact CE2-CE1 3.86Å; F247-F592 HydrophobicContact CE2-CE1 3.86Å; F247-F592 AromaticContact CZ-CD1 3.38Å; F247-F592 HydrophobicContact CZ-CD1 3.38Å; F247-F592 AromaticContact CZ-CE1 3.67Å; F247-F592 HydrophobicContact CZ-CE1 3.67Å; F247-F592 HydrophobicContact CZ-CG 4.49Å; V587-F592 HydrophobicContact CB-CB 4.43Å; V587-F592 HydrophobicContact CG2-CB 4.22Å; V587-F592 HydrophobicContact CG2-CD2 4.21Å; V587-F592 HydrophobicContact CG2-CG 4.49Å; N588-F592 WeakPolarHBondContact O-CB 3.37Å; N588-F592 PolarHBondContact O-N 3.34Å; V590-F592 PolarHBondContact O-N 3.32Å; F592-Q595 PolarHBondContact O-N 3.08Å; F592-L596 HydrophobicContact CD1-CD1 3.79Å; F592-L596 HydrophobicContact CD2-CD1 4.14Å; F592-L596 HydrophobicContact CE1-CD1 3.47Å; F592-L596 VanDerWaalsContact CE1-CD1 3.47Å; F592-L596 HydrophobicContact CE2-CD1 3.82Å; F592-L596 HydrophobicContact CG-CD1 4.13Å; F592-L596 HydrophobicContact CZ-CD1 3.48Å; F592-L596 VanDerWaalsContact CZ-CD1 3.48Å; F592-L596 VanDerWaalsContact O-CD1 3.25Å; F592-L596 WeakPolarHBondContact O-CD1 3.43Å; F592-L596 PolarHBondContact O-N 3.05Å; F592-L596 VanDerWaalsContact O-N 3.15Å
593L96.6Very high95Very high14 Ų1425.1 Ų25.17%0.07313%0.133CC..Hα-helixtrans-61.8-42.4173.2175.461000112F247 E414 M417 L421 A450 G589 V590 Q591 L596 T597F247-L593 HydrophobicContact CE1-CB 4.01Å; F247-L593 HydrophobicContact CE1-CD1 4.42Å; E414-L593 HydrophobicContact CB-CD2 4.18Å; E414-L593 HydrophobicContact CG-CD2 4.36Å; M417-L593 HydrophobicContact CB-CD2 4.07Å; M417-L593 HydrophobicContact CE-CD1 4.15Å; M417-L593 HydrophobicContact CG-CD1 3.65Å; M417-L593 HydrophobicContact CG-CD2 3.82Å; M417-L593 HydrophobicContact CG-CG 4.39Å; L421-L593 HydrophobicContact CD1-CD1 3.55Å; A450-L593 HydrophobicContact CB-CD1 4.25Å; G589-L593 WeakPolarHBondContact O-CB 3.39Å; G589-L593 PolarHBondContact O-N 2.83Å; V590-L593 WeakPolarHBondContact O-CB 3Å; V590-L593 PolarHBondContact O-N 2.88Å; Q591-L593 VanDerWaalsContact C-N 3.34Å; L593-L596 PolarHBondContact O-N 3.23Å; L593-T597 VanDerWaalsContact O-CB 3.31Å; L593-T597 WeakPolarHBondContact O-CB 3.35Å; L593-T597 PolarHBondContact O-N 2.96Å; L593-T597 PolarHBondContact O-OG1 3.31Å
594D96.1Very high94.8Very high66 Ų6626.4 Ų26.435%0.35314%0.14SC..Hα-helixtrans-58.7-48.3175.4179.670000111.2V590 Q591 L596 T597 R598V590-D594 PolarHBondContact O-N 3.36Å; Q591-D594 PolarHBondContact O-N 2.96Å; D594-L596 VanDerWaalsContact C-N 3.34Å; D594-L596 PolarHBondContact O-N 2.85Å; D594-T597 WeakPolarHBondContact O-CB 3.44Å; D594-T597 PolarHBondContact O-N 3.04Å; D594-R598 WeakPolarHBondContact O-CG 3.37Å; D594-R598 PolarHBondContact O-N 3.33Å; D594-R598 WeakPolarHBondContact OD2-CD 3.27Å; D594-R598 IonicContact OD2-NH1 3.72Å
595Q95.6Very high94.6Very high1 Ų127.8 Ų27.81%0.00515%0.147CC..Hα-helixtrans-56.4-45.6178.7-67-173.74000112.4E585 Q591 F592 L599E585-Q595 PolarHBondContact OE1-NE2 3.33Å; Q591-Q595 WeakPolarHBondContact O-CG 3.33Å; Q591-Q595 PolarHBondContact O-N 3.45Å; F592-Q595 PolarHBondContact O-N 3.08Å; Q595-L599 WeakPolarHBondContact O-CG 3.34Å; Q595-L599 PolarHBondContact O-N 3.41Å; Q595-L599 VanDerWaalsContact O-N 3.15Å
596L94.8Very high94.5Very high0 Ų029.3 Ų29.30%016%0.155CC..Hα-helixtrans-68.8-35.4176.5-88.880.5000112.7F149 F247 A450 Y453 L454 F592 L593 D594 R598 L599 G600F149-L596 HydrophobicContact CD1-CD1 4.1Å; F149-L596 HydrophobicContact CE1-CD1 4.2Å; F247-L596 HydrophobicContact CE2-CD2 4.15Å; F247-L596 HydrophobicContact CZ-CD1 4.07Å; F247-L596 HydrophobicContact CZ-CD2 3.8Å; F247-L596 HydrophobicContact CZ-CG 4.4Å; A450-L596 HydrophobicContact CB-CB 3.93Å; Y453-L596 HydrophobicContact CD1-CD2 4.35Å; Y453-L596 HydrophobicContact CD1-CG 4.3Å; L454-L596 HydrophobicContact CD1-CD2 4.33Å; L454-L596 HydrophobicContact CD2-CD2 3.75Å; L454-L596 HydrophobicContact CG-CD2 3.98Å; F592-L596 HydrophobicContact CD1-CD1 3.79Å; F592-L596 HydrophobicContact CD2-CD1 4.14Å; F592-L596 HydrophobicContact CE1-CD1 3.47Å; F592-L596 VanDerWaalsContact CE1-CD1 3.47Å; F592-L596 HydrophobicContact CE2-CD1 3.82Å; F592-L596 HydrophobicContact CG-CD1 4.13Å; F592-L596 HydrophobicContact CZ-CD1 3.48Å; F592-L596 VanDerWaalsContact CZ-CD1 3.48Å; F592-L596 VanDerWaalsContact O-CD1 3.25Å; F592-L596 WeakPolarHBondContact O-CD1 3.43Å; F592-L596 PolarHBondContact O-N 3.05Å; F592-L596 VanDerWaalsContact O-N 3.15Å; L593-L596 PolarHBondContact O-N 3.23Å; D594-L596 VanDerWaalsContact C-N 3.34Å; D594-L596 PolarHBondContact O-N 2.85Å; L596-R598 VanDerWaalsContact C-N 3.33Å; L596-L599 PolarHBondContact O-N 2.82Å; L596-G600 PolarHBondContact O-N 3.28Å
597T95.8Very high94.3Very high16 Ų1630.4 Ų30.410%0.09816%0.161CC..Hα-helixtrans-65.3-40178.8-610000111N447 S449 L593 D594 G600 S601N447-T597 HydrophobicContact CB-CG2 3.92Å; N447-T597 VanDerWaalsContact ND2-CG2 3.28Å; N447-T597 WeakPolarHBondContact ND2-CG2 3.47Å; S449-T597 WeakPolarHBondContact CB-O 3.28Å; L593-T597 VanDerWaalsContact O-CB 3.31Å; L593-T597 WeakPolarHBondContact O-CB 3.35Å; L593-T597 PolarHBondContact O-N 2.96Å; L593-T597 PolarHBondContact O-OG1 3.31Å; D594-T597 WeakPolarHBondContact O-CB 3.44Å; D594-T597 PolarHBondContact O-N 3.04Å; T597-G600 PolarHBondContact O-N 3.03Å; T597-S601 WeakPolarHBondContact O-CB 3.05Å; T597-S601 PolarHBondContact O-N 3.18Å; T597-S601 PolarHBondContact O-OG 3Å
598R95Very high94.2Very high60 Ų6032.3 Ų32.323%0.22617%0.171CC..Hα-helixtrans-62.9-50.8173.4-70.3169.461.6178.55.1111.7D143 Y150 D594 L596 G600 S601 E602D143-R598 PolarHBondContact O-NH1 3Å; Y150-R598 HydrophobicContact CD2-CB 3.58Å; Y150-R598 HydrophobicContact CE2-CB 3.67Å; Y150-R598 HydrophobicContact CG-CB 4.48Å; D594-R598 WeakPolarHBondContact O-CG 3.37Å; D594-R598 PolarHBondContact O-N 3.33Å; D594-R598 WeakPolarHBondContact OD2-CD 3.27Å; D594-R598 IonicContact OD2-NH1 3.72Å; L596-R598 VanDerWaalsContact C-N 3.33Å; R598-G600 PolarHBondContact O-N 3.16Å; R598-S601 PolarHBondContact O-N 3.11Å; R598-E602 PolarHBondContact O-N 3.1Å
599L93.7Very high94.1Very high1 Ų132.7 Ų32.71%0.00517%0.173CC..Hα-helixtrans-55.5-41.5175-73.2174.4000112.2F149 Y150 N153 R154 Y453 Q595 L596 S601 E602 I603F149-L599 HydrophobicContact CD1-CD1 3.81Å; F149-L599 HydrophobicContact CE1-CD1 3.77Å; Y150-L599 HydrophobicContact CD2-CD2 3.75Å; Y150-L599 HydrophobicContact CD2-CG 3.8Å; Y150-L599 HydrophobicContact CE2-CD2 4.25Å; Y150-L599 HydrophobicContact CG-CD2 4.49Å; N153-L599 HydrophobicContact CB-CD1 4.02Å; N153-L599 HydrophobicContact CB-CD2 4.17Å; R154-L599 HydrophobicContact CB-CD2 4.5Å; Y453-L599 HydrophobicContact CD1-CD1 4.31Å; Y453-L599 HydrophobicContact CD2-CB 3.63Å; Y453-L599 HydrophobicContact CD2-CD1 4.13Å; Y453-L599 HydrophobicContact CD2-CG 4.39Å; Y453-L599 HydrophobicContact CE1-CD1 3.95Å; Y453-L599 HydrophobicContact CE2-CB 4.07Å; Y453-L599 HydrophobicContact CE2-CD1 3.77Å; Y453-L599 HydrophobicContact CE2-CG 4.34Å; Y453-L599 HydrophobicContact CG-CB 3.91Å; Y453-L599 HydrophobicContact CG-CD1 4.39Å; Q595-L599 WeakPolarHBondContact O-CG 3.34Å; Q595-L599 PolarHBondContact O-N 3.41Å; Q595-L599 VanDerWaalsContact O-N 3.15Å; L596-L599 PolarHBondContact O-N 2.82Å; L599-S601 VanDerWaalsContact C-N 3.3Å; L599-S601 PolarHBondContact O-N 3.33Å; L599-E602 PolarHBondContact O-N 3.41Å; L599-I603 WeakPolarHBondContact O-CG1 3.12Å
600G93.4Very high93.9Very high0 Ų035 Ų350%019%0.185CC..Hα-helixtrans-71.8-21.9178.800000114.5S449 K452 L596 T597 R598S449-G600 VanDerWaalsContact O-CA 3.28Å; S449-G600 WeakPolarHBondContact O-CA 3.37Å; K452-G600 VanDerWaalsContact CD-O 3.28Å; K452-G600 WeakPolarHBondContact CD-O 3.36Å; L596-G600 PolarHBondContact O-N 3.28Å; T597-G600 PolarHBondContact O-N 3.03Å; R598-G600 PolarHBondContact O-N 3.16Å
601S93.2Very high93.8Very high64 Ų6432.9 Ų32.945%0.44817%0.17SC..Hα-helixtrans-83.4-19.9178.1-58.30000112.4S449 T597 R598 L599S449-S601 VanDerWaalsContact CB-OG 3.32Å; S449-S601 WeakPolarHBondContact CB-OG 3.16Å; S449-S601 PolarHBondContact OG-OG 2.89Å; T597-S601 WeakPolarHBondContact O-CB 3.05Å; T597-S601 PolarHBondContact O-N 3.18Å; T597-S601 PolarHBondContact O-OG 3Å; R598-S601 PolarHBondContact O-N 3.11Å; L599-S601 VanDerWaalsContact C-N 3.3Å; L599-S601 PolarHBondContact O-N 3.33Å
602E89.6Confident93.6Very high89 Ų8933.2 Ų33.242%0.41617%0.173SC..  trans-86.4-5.2174.3-68.7176.3-16900113.7Y150 P155 R598 L599Y150-E602 WeakPolarHBondContact CE2-OE1 3.3Å; Y150-E602 VanDerWaalsContact CZ-OE1 3.25Å; Y150-E602 PolarHBondContact OH-OE1 2.71Å; P155-E602 WeakPolarHBondContact CD-OE2 3.33Å; R598-E602 PolarHBondContact O-N 3.1Å; L599-E602 PolarHBondContact O-N 3.41Å
603I82.9Confident93.3Very high87 Ų8736.2 Ų36.245%0.44619%0.188SC..  trans-97.60173.1-60.7169000109.1Y453 R456 L599Y453-I603 HydrophobicContact CD2-CD1 3.84Å; Y453-I603 HydrophobicContact CG-CD1 4.49Å; R456-I603 HydrophobicContact CB-CD1 4.4Å; L599-I603 WeakPolarHBondContact O-CG1 3.12Å

Retrieved 603 of 603 residues in 1549.4 ms (Link to these results)

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