A0A087XJ44_POEFO Loading...

Jade family PHD finger 2

AlphaFold DB , UniProt , Accession A0A087XJ44, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 649 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
1Y77.5Confident88.6Confident53 Ų5366.4 Ų66.421%0.20835%0.348CS..  0129.70175.2-103.5000104L3 D7 E32 L35 K302 L311 V312Y1-L3 HydrophobicContact CD1-CD2 3.86Å; Y1-L3 HydrophobicContact CE1-CD2 3.73Å; Y1-D7 PolarHBondContact OH-OD2 3.49Å; Y1-D7 VanDerWaalsContact OH-OD2 3.06Å; Y1-E32 WeakPolarHBondContact O-CG 3.46Å; Y1-E32 VanDerWaalsContact O-OE1 3.13Å; Y1-L35 HydrophobicContact CD1-CB 4.15Å; Y1-L35 HydrophobicContact CD1-CD1 3.79Å; Y1-L35 HydrophobicContact CE1-CB 4.49Å; Y1-L35 HydrophobicContact CE1-CD1 3.44Å; Y1-L35 VanDerWaalsContact CE1-CD1 3.44Å; Y1-K302 PolarHBondContact OH-NZ 3.24Å; Y1-L311 HydrophobicContact CD2-CB 4.39Å; Y1-L311 WeakPolarHBondContact CD2-O 3.15Å; Y1-L311 HydrophobicContact CE2-CB 3.81Å; Y1-L311 WeakPolarHBondContact CE2-O 3.5Å; Y1-V312 HydrophobicContact CD2-CG2 3.67Å; Y1-V312 HydrophobicContact CG-CG2 4.08Å
2D81.4Confident89Confident141 Ų14170.6 Ų70.675%0.75437%0.365SS*.  trans-112.2113.8-165.9-55.116.7000105.8D4D2-D4 PolarHBondContact O-N 3.49Å
3L86.4Confident89.3Confident33 Ų3372.9 Ų72.917%0.17338%0.377CS..  trans-60.6136.3-174.3-59.2-168.7000111.9Y1 D7 V8 L11 E28 M31 E32 L35Y1-L3 HydrophobicContact CD1-CD2 3.86Å; Y1-L3 HydrophobicContact CE1-CD2 3.73Å; L3-D7 HydrophobicContact CB-CB 3.96Å; L3-D7 HydrophobicContact CD2-CB 4.05Å; L3-D7 HydrophobicContact CG-CB 4.41Å; L3-V8 HydrophobicContact CB-CG2 3.98Å; L3-V8 HydrophobicContact CD1-CG2 4.3Å; L3-L11 HydrophobicContact CD1-CD2 4.47Å; L3-E28 HydrophobicContact CD1-CB 3.73Å; L3-E28 HydrophobicContact CD1-CG 3.91Å; L3-M31 HydrophobicContact CD1-CG 4.46Å; L3-M31 HydrophobicContact CD1-SD 4.31Å; L3-M31 HydrophobicContact CD2-CG 4.07Å; L3-M31 HydrophobicContact CD2-SD 4.41Å; L3-E32 HydrophobicContact CD1-CG 4.37Å; L3-E32 HydrophobicContact CD2-CG 3.55Å; L3-E32 HydrophobicContact CG-CG 3.65Å; L3-L35 HydrophobicContact CD2-CD1 4.31Å
4D87.3Confident89.6Confident69 Ų6968.1 Ų68.137%0.36935%0.353SS..  trans-94.7173.4172.370.228000113.3D2 L6 D7 V8 K302D2-D4 PolarHBondContact O-N 3.49Å; D4-L6 PolarHBondContact O-N 3.06Å; D4-L6 VanDerWaalsContact O-N 3.09Å; D4-L6 WeakPolarHBondContact OD1-CA 3.48Å; D4-L6 VanDerWaalsContact OD1-CB 3.27Å; D4-L6 WeakPolarHBondContact OD1-CB 3.34Å; D4-L6 PolarHBondContact OD1-N 3.16Å; D4-D7 PolarHBondContact N-OD2 2.78Å; D4-D7 WeakPolarHBondContact O-CB 3.28Å; D4-D7 PolarHBondContact O-N 3.41Å; D4-D7 VanDerWaalsContact O-N 3.09Å; D4-D7 PolarHBondContact OD1-N 3.23Å; D4-V8 PolarHBondContact O-N 2.86Å; D4-K302 IonicContact OD1-NZ 2.66Å; D4-K302 PolarHBondContact OD1-NZ 2.9Å; D4-K302 IonicContact OD2-NZ 3.17Å; D4-K302 PolarHBondContact OD2-NZ 3.37Å
5D89.1Confident89.8Confident146 Ų14664.3 Ų64.378%0.78133%0.333SS*.Hα-helixtrans-57.5-24.8179.6-68.5-40.3000112.9T9D5-T9 VanDerWaalsContact O-CB 3.24Å; D5-T9 WeakPolarHBondContact O-CB 3.11Å; D5-T9 PolarHBondContact O-N 3.17Å; D5-T9 PolarHBondContact O-OG1 3.45Å
6L90.4Very high90Very high106 Ų10666.1 Ų66.156%0.55534%0.34SS*.Hα-helixtrans-80.4-41.6176.8176.467.3000110.9D4 T9 W10D4-L6 PolarHBondContact O-N 3.06Å; D4-L6 VanDerWaalsContact O-N 3.09Å; D4-L6 WeakPolarHBondContact OD1-CA 3.48Å; D4-L6 VanDerWaalsContact OD1-CB 3.27Å; D4-L6 WeakPolarHBondContact OD1-CB 3.34Å; D4-L6 PolarHBondContact OD1-N 3.16Å; L6-T9 PolarHBondContact O-N 3.26Å; L6-W10 WeakPolarHBondContact O-CB 3.47Å; L6-W10 PolarHBondContact O-N 3.08Å
7D91.9Very high90Very high0 Ų067.9 Ų67.90%035%0.346CS..Hα-helixtrans-58.9-51.8174.5-63.1-33.7000111.4Y1 L3 D4 T9 W10 L11 M31 F298 K302Y1-D7 PolarHBondContact OH-OD2 3.49Å; Y1-D7 VanDerWaalsContact OH-OD2 3.06Å; L3-D7 HydrophobicContact CB-CB 3.96Å; L3-D7 HydrophobicContact CD2-CB 4.05Å; L3-D7 HydrophobicContact CG-CB 4.41Å; D4-D7 PolarHBondContact N-OD2 2.78Å; D4-D7 WeakPolarHBondContact O-CB 3.28Å; D4-D7 PolarHBondContact O-N 3.41Å; D4-D7 VanDerWaalsContact O-N 3.09Å; D4-D7 PolarHBondContact OD1-N 3.23Å; D7-T9 VanDerWaalsContact C-N 3.31Å; D7-T9 PolarHBondContact O-N 3.2Å; D7-W10 PolarHBondContact O-N 3.41Å; D7-L11 WeakPolarHBondContact O-CB 3.36Å; D7-L11 PolarHBondContact O-N 3.15Å; D7-M31 HydrophobicContact CB-CE 3.77Å; D7-F298 WeakPolarHBondContact OD1-CE1 3.39Å; D7-F298 WeakPolarHBondContact OD1-CZ 3.45Å; D7-K302 IonicContact OD1-NZ 3.92Å; D7-K302 PolarHBondContact OD1-NZ 3.32Å; D7-K302 IonicContact OD2-NZ 2.63Å; D7-K302 PolarHBondContact OD2-NZ 2.86Å
8V89.9Confident90.1Very high35 Ų3564.1 Ų64.121%0.21233%0.327CS..Hα-helixtrans-62.8-39.1179.9175.40000111L3 D4 L11 Q12L3-V8 HydrophobicContact CB-CG2 3.98Å; L3-V8 HydrophobicContact CD1-CG2 4.3Å; D4-V8 PolarHBondContact O-N 2.86Å; V8-L11 PolarHBondContact O-N 3.46Å; V8-Q12 VanDerWaalsContact O-CG 3.32Å; V8-Q12 WeakPolarHBondContact O-CG 3.33Å; V8-Q12 PolarHBondContact O-N 3.32Å; V8-Q12 VanDerWaalsContact O-N 3.07Å
9T92.9Very high90.1Very high89 Ų8967.3 Ų67.355%0.54633%0.334SS..Hα-helixtrans-65.7-40.7175.4-610000112D5 L6 D7 L13D5-T9 VanDerWaalsContact O-CB 3.24Å; D5-T9 WeakPolarHBondContact O-CB 3.11Å; D5-T9 PolarHBondContact O-N 3.17Å; D5-T9 PolarHBondContact O-OG1 3.45Å; L6-T9 PolarHBondContact O-N 3.26Å; D7-T9 VanDerWaalsContact C-N 3.31Å; D7-T9 PolarHBondContact O-N 3.2Å; T9-L13 PolarHBondContact O-N 3.15Å
10W95.3Very high90.1Very high51 Ų5171.7 Ų71.719%0.19335%0.353CS..Hα-helixtrans-69.7-39.4177-17990.1000111.8L6 D7 Q12 L13 V14 M31 F294 L295 F298L6-W10 WeakPolarHBondContact O-CB 3.47Å; L6-W10 PolarHBondContact O-N 3.08Å; D7-W10 PolarHBondContact O-N 3.41Å; W10-Q12 VanDerWaalsContact C-N 3.32Å; W10-Q12 PolarHBondContact O-N 3.29Å; W10-L13 WeakPolarHBondContact O-CA 3.35Å; W10-L13 WeakPolarHBondContact O-CB 3.41Å; W10-L13 PolarHBondContact O-N 2.58Å; W10-V14 HydrophobicContact CE3-CG1 4.12Å; W10-V14 HydrophobicContact CH2-CB 3.94Å; W10-V14 HydrophobicContact CH2-CG1 3.83Å; W10-V14 HydrophobicContact CH2-CG2 3.97Å; W10-V14 HydrophobicContact CZ2-CB 4.04Å; W10-V14 HydrophobicContact CZ2-CG1 4.42Å; W10-V14 HydrophobicContact CZ2-CG2 4.05Å; W10-V14 HydrophobicContact CZ3-CB 4.18Å; W10-V14 HydrophobicContact CZ3-CG1 3.66Å; W10-V14 PolarHBondContact O-N 2.96Å; W10-M31 HydrophobicContact CE3-CE 3.84Å; W10-M31 HydrophobicContact CE3-SD 4.26Å; W10-M31 HydrophobicContact CZ3-CE 4.19Å; W10-M31 HydrophobicContact CZ3-SD 4.38Å; W10-F294 HydrophobicContact CH2-CB 4.24Å; W10-F294 HydrophobicContact CZ2-CB 4.46Å; W10-L295 HydrophobicContact CH2-CD2 4.04Å; W10-L295 HydrophobicContact CH2-CG 4.42Å; W10-L295 HydrophobicContact CZ3-CD2 3.63Å; W10-L295 HydrophobicContact CZ3-CG 4.44Å; W10-F298 HydrophobicContact CB-CD2 4.22Å; W10-F298 HydrophobicContact CB-CE2 3.69Å; W10-F298 HydrophobicContact CB-CZ 4.2Å; W10-F298 AromaticContact CD1-CD2 3.52Å; W10-F298 AromaticContact CD1-CE2 3.76Å; W10-F298 HydrophobicContact CD2-CB 4.23Å; W10-F298 HydrophobicContact CD2-CD1 4.43Å; W10-F298 AromaticContact CD2-CD2 3.43Å; W10-F298 HydrophobicContact CD2-CD2 3.43Å; W10-F298 VanDerWaalsContact CD2-CD2 3.43Å; W10-F298 AromaticContact CD2-CE2 3.83Å; W10-F298 HydrophobicContact CD2-CE2 3.83Å; W10-F298 AromaticContact CD2-CG 3.77Å; W10-F298 HydrophobicContact CD2-CG 3.77Å; W10-F298 HydrophobicContact CD2-CZ 4.47Å; W10-F298 AromaticContact CE2-CD2 3.56Å; W10-F298 AromaticContact CE2-CG 3.82Å; W10-F298 HydrophobicContact CE3-CB 4.44Å; W10-F298 HydrophobicContact CE3-CD1 4.27Å; W10-F298 HydrophobicContact CE3-CD2 4.08Å; W10-F298 HydrophobicContact CE3-CE2 4.42Å; W10-F298 AromaticContact CE3-CG 3.99Å; W10-F298 HydrophobicContact CE3-CG 3.99Å; W10-F298 AromaticContact CG-CD2 3.46Å; W10-F298 HydrophobicContact CG-CD2 3.46Å; W10-F298 VanDerWaalsContact CG-CD2 3.46Å; W10-F298 AromaticContact CG-CE2 3.45Å; W10-F298 HydrophobicContact CG-CE2 3.45Å; W10-F298 VanDerWaalsContact CG-CE2 3.45Å; W10-F298 HydrophobicContact CG-CG 4.27Å; W10-F298 HydrophobicContact CG-CZ 4.26Å; W10-F298 HydrophobicContact CH2-CB 3.89Å; W10-F298 HydrophobicContact CH2-CG 4.33Å; W10-F298 HydrophobicContact CZ2-CB 3.63Å; W10-F298 HydrophobicContact CZ2-CD2 4.29Å; W10-F298 HydrophobicContact CZ2-CG 4.12Å; W10-F298 HydrophobicContact CZ3-CB 4.29Å; W10-F298 HydrophobicContact CZ3-CG 4.27Å; W10-F298 AromaticContact NE1-CD2 3.56Å
11L92.9Very high89.9Confident7 Ų772.3 Ų72.34%0.03736%0.356CS..Hα-helixtrans-59.9-42.6175.3-175.658.3000111.5L3 D7 V8 L13 V14 N15 L26 E28 M31L3-L11 HydrophobicContact CD1-CD2 4.47Å; D7-L11 WeakPolarHBondContact O-CB 3.36Å; D7-L11 PolarHBondContact O-N 3.15Å; V8-L11 PolarHBondContact O-N 3.46Å; L11-L13 VanDerWaalsContact C-N 3.27Å; L11-L13 PolarHBondContact O-N 3.06Å; L11-V14 HydrophobicContact CD1-CG1 4.26Å; L11-V14 PolarHBondContact O-N 2.79Å; L11-N15 VanDerWaalsContact O-CB 3.31Å; L11-N15 WeakPolarHBondContact O-CB 3.45Å; L11-N15 PolarHBondContact O-N 3.06Å; L11-N15 PolarHBondContact O-ND2 3.14Å; L11-L26 HydrophobicContact CD1-CB 3.82Å; L11-E28 HydrophobicContact CD2-CB 4.39Å; L11-E28 HydrophobicContact CD2-CG 3.73Å; L11-M31 HydrophobicContact CB-SD 3.82Å; L11-M31 HydrophobicContact CD1-CB 4.44Å; L11-M31 HydrophobicContact CD1-SD 3.95Å; L11-M31 HydrophobicContact CD2-CB 4.43Å; L11-M31 HydrophobicContact CD2-SD 4.06Å; L11-M31 HydrophobicContact CG-SD 4.16Å
12Q92.8Very high90.4Very high117 Ų11774.4 Ų74.455%0.54739%0.385SS..Hα-helixtrans-62.8-31.3173.6-72.317429.500113.1V8 W10 Q16V8-Q12 VanDerWaalsContact O-CG 3.32Å; V8-Q12 WeakPolarHBondContact O-CG 3.33Å; V8-Q12 PolarHBondContact O-N 3.32Å; V8-Q12 VanDerWaalsContact O-N 3.07Å; W10-Q12 VanDerWaalsContact C-N 3.32Å; W10-Q12 PolarHBondContact O-N 3.29Å; Q12-Q16 WeakPolarHBondContact O-CG 3.29Å; Q12-Q16 PolarHBondContact O-NE2 3.29Å
13L93.6Very high90.7Very high101 Ų10168.8 Ų68.853%0.52936%0.356SS..Hα-helixtrans-73.6-53.3174.9-168.384.6000111.3T9 W10 L11 N15 Q16 E17T9-L13 PolarHBondContact O-N 3.15Å; W10-L13 WeakPolarHBondContact O-CA 3.35Å; W10-L13 WeakPolarHBondContact O-CB 3.41Å; W10-L13 PolarHBondContact O-N 2.58Å; L11-L13 VanDerWaalsContact C-N 3.27Å; L11-L13 PolarHBondContact O-N 3.06Å; L13-N15 VanDerWaalsContact C-N 3.26Å; L13-N15 PolarHBondContact O-N 3.43Å; L13-Q16 WeakPolarHBondContact O-CB 3.45Å; L13-Q16 PolarHBondContact O-N 2.78Å; L13-E17 PolarHBondContact O-N 3.15Å
14V92.7Very high90.7Very high6 Ų671.2 Ų71.24%0.03638%0.375CS..Hα-helixtrans-64.3-32.4-176.680.20000111.9W10 L11 Q16 E17 F18 F294W10-V14 HydrophobicContact CE3-CG1 4.12Å; W10-V14 HydrophobicContact CH2-CB 3.94Å; W10-V14 HydrophobicContact CH2-CG1 3.83Å; W10-V14 HydrophobicContact CH2-CG2 3.97Å; W10-V14 HydrophobicContact CZ2-CB 4.04Å; W10-V14 HydrophobicContact CZ2-CG1 4.42Å; W10-V14 HydrophobicContact CZ2-CG2 4.05Å; W10-V14 HydrophobicContact CZ3-CB 4.18Å; W10-V14 HydrophobicContact CZ3-CG1 3.66Å; W10-V14 PolarHBondContact O-N 2.96Å; L11-V14 HydrophobicContact CD1-CG1 4.26Å; L11-V14 PolarHBondContact O-N 2.79Å; V14-Q16 VanDerWaalsContact C-N 3.26Å; V14-Q16 PolarHBondContact O-N 3.24Å; V14-E17 PolarHBondContact O-N 3.42Å; V14-E17 VanDerWaalsContact O-N 3.11Å; V14-F18 HydrophobicContact CB-CE2 4.22Å; V14-F18 HydrophobicContact CG1-CD2 4.22Å; V14-F18 HydrophobicContact CG1-CE2 3.78Å; V14-F18 HydrophobicContact CG2-CD2 4.16Å; V14-F18 HydrophobicContact CG2-CE2 3.55Å; V14-F18 HydrophobicContact CG2-CZ 3.75Å; V14-F18 WeakPolarHBondContact O-CD2 3.41Å; V14-F18 PolarHBondContact O-N 3.3Å; V14-F294 HydrophobicContact CG2-CB 4.03Å; V14-F294 HydrophobicContact CG2-CD1 3.75Å; V14-F294 HydrophobicContact CG2-CE1 4.36Å; V14-F294 HydrophobicContact CG2-CG 3.89Å
15N92.9Very high90.8Very high11 Ų1172.8 Ų72.86%0.05938%0.379CS..Hα-helixtrans-67.2-21.6172.5-77.6-26.1000113.7L11 L13 R19 E25 L26L11-N15 VanDerWaalsContact O-CB 3.31Å; L11-N15 WeakPolarHBondContact O-CB 3.45Å; L11-N15 PolarHBondContact O-N 3.06Å; L11-N15 PolarHBondContact O-ND2 3.14Å; L13-N15 VanDerWaalsContact C-N 3.26Å; L13-N15 PolarHBondContact O-N 3.43Å; N15-R19 VanDerWaalsContact O-CG 3.24Å; N15-R19 WeakPolarHBondContact O-CG 3.09Å; N15-R19 PolarHBondContact O-N 2.86Å; N15-R19 PolarHBondContact O-NH1 3.26Å; N15-E25 HydrophobicContact CB-CB 4.46Å; N15-E25 HydrophobicContact CB-CG 4.31Å; N15-E25 WeakPolarHBondContact OD1-CA 3.21Å; N15-L26 PolarHBondContact ND2-O 3.38Å; N15-L26 PolarHBondContact OD1-N 3.47Å
16Q92.3Very high90.9Very high93 Ų9366.3 Ų66.344%0.43535%0.345SS..Hα-helixtrans-70.6-43.3168.4-69.1165.376.400110.6Q12 L13 V14 R19 H20Q12-Q16 WeakPolarHBondContact O-CG 3.29Å; Q12-Q16 PolarHBondContact O-NE2 3.29Å; L13-Q16 WeakPolarHBondContact O-CB 3.45Å; L13-Q16 PolarHBondContact O-N 2.78Å; V14-Q16 VanDerWaalsContact C-N 3.26Å; V14-Q16 PolarHBondContact O-N 3.24Å; Q16-R19 VanDerWaalsContact CG-NH1 3.28Å; Q16-R19 PolarHBondContact O-N 3.49Å; Q16-H20 PolarHBondContact O-CD2 2.78Å; Q16-H20 PolarHBondContact O-N 3.4Å
17E90.3Very high90.9Very high96 Ų9665 Ų6545%0.44934%0.338SS..Hα-helixtrans-65.4-40.3175.7-60-56138.400112.2L13 V14 R19 H20 M21L13-E17 PolarHBondContact O-N 3.15Å; V14-E17 PolarHBondContact O-N 3.42Å; V14-E17 VanDerWaalsContact O-N 3.11Å; E17-R19 PolarHBondContact O-N 2.83Å; E17-H20 CarbonylContact O-C 3.59Å; E17-H20 PolarHBondContact O-N 3.11Å; E17-H20 VanDerWaalsContact O-N 3.14Å; E17-M21 HydrophobicContact CB-CE 4.01Å; E17-M21 WeakPolarHBondContact O-CE 3.37Å; E17-M21 WeakPolarHBondContact O-CG 3.49Å; E17-M21 PolarHBondContact O-N 2.81Å
18F91.5Very high90.8Very high0 Ų070.2 Ų70.20%036%0.363CS..Hα-helixtrans-61.9-41.7174.2-68.9-45.7000112.5V14 H20 M21 A22 S23 L26 Q291 F294V14-F18 HydrophobicContact CB-CE2 4.22Å; V14-F18 HydrophobicContact CG1-CD2 4.22Å; V14-F18 HydrophobicContact CG1-CE2 3.78Å; V14-F18 HydrophobicContact CG2-CD2 4.16Å; V14-F18 HydrophobicContact CG2-CE2 3.55Å; V14-F18 HydrophobicContact CG2-CZ 3.75Å; V14-F18 WeakPolarHBondContact O-CD2 3.41Å; V14-F18 PolarHBondContact O-N 3.3Å; F18-H20 VanDerWaalsContact C-N 3.33Å; F18-H20 PolarHBondContact O-N 2.86Å; F18-M21 HydrophobicContact CD1-CE 3.82Å; F18-M21 HydrophobicContact CE1-CE 4.22Å; F18-M21 CarbonylContact O-C 3.6Å; F18-M21 PolarHBondContact O-N 2.96Å; F18-M21 VanDerWaalsContact O-N 3.16Å; F18-A22 PolarHBondContact O-N 3.42Å; F18-S23 CarbonylContact C-O 3.51Å; F18-S23 PolarHBondContact O-N 3.12Å; F18-L26 HydrophobicContact CE2-CD1 3.72Å; F18-L26 HydrophobicContact CE2-CG 4.06Å; F18-L26 HydrophobicContact CZ-CD1 4.37Å; F18-Q291 HydrophobicContact CE1-CG 4Å; F18-Q291 HydrophobicContact CE2-CG 4.35Å; F18-Q291 HydrophobicContact CZ-CB 4.24Å; F18-Q291 HydrophobicContact CZ-CG 3.9Å; F18-F294 AromaticContact CE1-CD2 3.69Å; F18-F294 HydrophobicContact CE1-CD2 3.69Å; F18-F294 HydrophobicContact CE1-CE2 4.09Å; F18-F294 HydrophobicContact CE1-CG 4.41Å; F18-F294 HydrophobicContact CZ-CB 4.08Å; F18-F294 AromaticContact CZ-CD2 3.83Å; F18-F294 HydrophobicContact CZ-CD2 3.83Å; F18-F294 HydrophobicContact CZ-CG 4.12Å
19R90.4Very high90.7Very high124 Ų12474.3 Ų74.347%0.46838%0.383SS..Hα-helixtrans-59-42.7170.9-70.2171.7-154.5116.56.3111.9N15 Q16 E17 M21 A22 E25N15-R19 VanDerWaalsContact O-CG 3.24Å; N15-R19 WeakPolarHBondContact O-CG 3.09Å; N15-R19 PolarHBondContact O-N 2.86Å; N15-R19 PolarHBondContact O-NH1 3.26Å; Q16-R19 VanDerWaalsContact CG-NH1 3.28Å; Q16-R19 PolarHBondContact O-N 3.49Å; E17-R19 PolarHBondContact O-N 2.83Å; R19-M21 VanDerWaalsContact C-N 3.3Å; R19-M21 PolarHBondContact O-N 2.63Å; R19-A22 PolarHBondContact O-N 3.29Å; R19-E25 WeakPolarHBondContact CD-OE1 3.29Å; R19-E25 HydrophobicContact CG-CG 4.09Å; R19-E25 WeakPolarHBondContact CG-OE1 3.3Å; R19-E25 IonicContact CZ-OE1 3.6Å; R19-E25 IonicContact CZ-OE2 3.34Å; R19-E25 IonicContact NE-OE1 2.74Å; R19-E25 PolarHBondContact NE-OE1 3.03Å; R19-E25 IonicContact NE-OE2 3.3Å; R19-E25 PolarHBondContact NE-OE2 3.22Å; R19-E25 IonicContact NH2-OE1 3.7Å; R19-E25 IonicContact NH2-OE2 3.32Å; R19-E25 PolarHBondContact NH2-OE2 3.03Å
20H89.8Confident90.6Very high155 Ų15571.9 Ų71.972%0.71837%0.368SS*.Hα-helixtrans-65.8-31.3176.4-76-56.9000113.1Q16 E17 F18 A22Q16-H20 PolarHBondContact O-CD2 2.78Å; Q16-H20 PolarHBondContact O-N 3.4Å; E17-H20 CarbonylContact O-C 3.59Å; E17-H20 PolarHBondContact O-N 3.11Å; E17-H20 VanDerWaalsContact O-N 3.14Å; F18-H20 VanDerWaalsContact C-N 3.33Å; F18-H20 PolarHBondContact O-N 2.86Å; H20-A22 VanDerWaalsContact C-N 3.35Å
21M87.3Confident90.5Very high85 Ų8569.4 Ų69.442%0.41936%0.359SS..THydrogen-bonded Turntrans-86.42174.2-68.3-176.4-77.200114.2E17 F18 R19 S23 F294E17-M21 HydrophobicContact CB-CE 4.01Å; E17-M21 WeakPolarHBondContact O-CE 3.37Å; E17-M21 WeakPolarHBondContact O-CG 3.49Å; E17-M21 PolarHBondContact O-N 2.81Å; F18-M21 HydrophobicContact CD1-CE 3.82Å; F18-M21 HydrophobicContact CE1-CE 4.22Å; F18-M21 CarbonylContact O-C 3.6Å; F18-M21 PolarHBondContact O-N 2.96Å; F18-M21 VanDerWaalsContact O-N 3.16Å; R19-M21 VanDerWaalsContact C-N 3.3Å; R19-M21 PolarHBondContact O-N 2.63Å; M21-S23 PolarHBondContact O-N 3.48Å; M21-F294 HydrophobicContact CE-CE2 3.85Å; M21-F294 HydrophobicContact CE-CZ 4.01Å
22A87.6Confident90.5Very high97 Ų9771.8 Ų71.880%0.80237%0.369SS*.THydrogen-bonded Turntrans5426.8-171.800000114.5F18 R19 H20F18-A22 PolarHBondContact O-N 3.42Å; R19-A22 PolarHBondContact O-N 3.29Å; H20-A22 VanDerWaalsContact C-N 3.35Å
23S86.7Confident90.3Very high23 Ų2368.3 Ų68.316%0.16136%0.361CS..PPolyproline II helixtrans-86148.1171.8-168.60000109.6F18 M21F18-S23 CarbonylContact C-O 3.51Å; F18-S23 PolarHBondContact O-N 3.12Å; M21-S23 PolarHBondContact O-N 3.48Å
24P86.7Confident90.3Very high85 Ų8563.5 Ų63.555%0.55234%0.336SS*.PPolyproline II helixtrans-58.6149.3172.221.2-29.5000111.7Q291P24-Q291 PolarHBondContact O-NE2 2.58Å
25E89.3Confident90.3Very high101 Ų10163.3 Ų63.347%0.47233%0.334SS..PPolyproline II helixtrans-76.7148.6174.9-62.8179.2-142.500110.7N15 R19N15-E25 HydrophobicContact CB-CB 4.46Å; N15-E25 HydrophobicContact CB-CG 4.31Å; N15-E25 WeakPolarHBondContact OD1-CA 3.21Å; R19-E25 WeakPolarHBondContact CD-OE1 3.29Å; R19-E25 HydrophobicContact CG-CG 4.09Å; R19-E25 WeakPolarHBondContact CG-OE1 3.3Å; R19-E25 IonicContact CZ-OE1 3.6Å; R19-E25 IonicContact CZ-OE2 3.34Å; R19-E25 IonicContact NE-OE1 2.74Å; R19-E25 PolarHBondContact NE-OE1 3.03Å; R19-E25 IonicContact NE-OE2 3.3Å; R19-E25 PolarHBondContact NE-OE2 3.22Å; R19-E25 IonicContact NH2-OE1 3.7Å; R19-E25 IonicContact NH2-OE2 3.32Å; R19-E25 PolarHBondContact NH2-OE2 3.03Å
26L91.6Very high90.2Very high10 Ų1065 Ų655%0.05235%0.345CS..PPolyproline II helixtrans-90.1138.6172.3-67.5176000110.5L11 N15 F18 T30 Q291 L295L11-L26 HydrophobicContact CD1-CB 3.82Å; N15-L26 PolarHBondContact ND2-O 3.38Å; N15-L26 PolarHBondContact OD1-N 3.47Å; F18-L26 HydrophobicContact CE2-CD1 3.72Å; F18-L26 HydrophobicContact CE2-CG 4.06Å; F18-L26 HydrophobicContact CZ-CD1 4.37Å; L26-T30 HydrophobicContact CD2-CG2 3.77Å; L26-Q291 HydrophobicContact CD1-CB 4.32Å; L26-Q291 HydrophobicContact CD2-CB 4.14Å; L26-Q291 HydrophobicContact CD2-CG 4.19Å; L26-Q291 HydrophobicContact CG-CG 4.41Å; L26-L295 HydrophobicContact CD1-CD1 3.75Å; L26-L295 HydrophobicContact CD1-CG 4.16Å
27D90.6Very high90.1Very high79 Ų7961.7 Ų61.742%0.42233%0.33SS..PPolyproline II helixtrans-92.4169.2167.275.9-17.5000112L29 T30 M31D27-L29 VanDerWaalsContact C-N 3.28Å; D27-L29 PolarHBondContact O-N 3.3Å; D27-T30 PolarHBondContact O-N 3.46Å; D27-T30 WeakPolarHBondContact OD1-CB 3.42Å; D27-T30 PolarHBondContact OD1-N 2.94Å; D27-T30 PolarHBondContact OD1-OG1 3.47Å; D27-M31 PolarHBondContact O-N 3.46Å; D27-M31 VanDerWaalsContact O-N 3.12Å
28E89.8Confident90.2Very high110 Ų11057.1 Ų57.151%0.51431%0.308SS..Hα-helixtrans-59.9-39.8-178.1-67.8168.4-175.500110.9L3 L11 M31 E32L3-E28 HydrophobicContact CD1-CB 3.73Å; L3-E28 HydrophobicContact CD1-CG 3.91Å; L11-E28 HydrophobicContact CD2-CB 4.39Å; L11-E28 HydrophobicContact CD2-CG 3.73Å; E28-M31 PolarHBondContact O-N 3.4Å; E28-E32 WeakPolarHBondContact O-CG 3.48Å; E28-E32 PolarHBondContact O-N 3.48Å
29L88.8Confident90.2Very high120 Ų12057.3 Ų57.363%0.62831%0.309SS*.Hα-helixtrans-65.2-39.9178.6-64172.4000113D27 M31 E32 A33D27-L29 VanDerWaalsContact C-N 3.28Å; D27-L29 PolarHBondContact O-N 3.3Å; L29-M31 VanDerWaalsContact C-N 3.35Å; L29-E32 PolarHBondContact O-N 3.42Å; L29-A33 WeakPolarHBondContact O-CB 3.41Å; L29-A33 PolarHBondContact O-N 2.9Å
30T90.8Very high90.2Very high38 Ų3855.5 Ų55.523%0.23330%0.302CS..Hα-helixtrans-67.6-37.9175.6-54.70000111L26 D27 A33 V34 L287L26-T30 HydrophobicContact CD2-CG2 3.77Å; D27-T30 PolarHBondContact O-N 3.46Å; D27-T30 WeakPolarHBondContact OD1-CB 3.42Å; D27-T30 PolarHBondContact OD1-N 2.94Å; D27-T30 PolarHBondContact OD1-OG1 3.47Å; T30-A33 PolarHBondContact O-N 3Å; T30-V34 VanDerWaalsContact O-CG2 3.3Å; T30-V34 WeakPolarHBondContact O-CG2 3.4Å; T30-V34 PolarHBondContact O-N 2.91Å; T30-L287 HydrophobicContact CG2-CD1 3.71Å; T30-L287 HydrophobicContact CG2-CD2 3.88Å; T30-L287 HydrophobicContact CG2-CG 4.48Å
31M92.8Very high90.2Very high0 Ų048.3 Ų48.30%027%0.269CS..Hα-helixtrans-63.7-45.7173.5178.9165.9-179.300111.9L3 D7 W10 L11 D27 E28 L29 A33 V34 L35 L295 F298L3-M31 HydrophobicContact CD1-CG 4.46Å; L3-M31 HydrophobicContact CD1-SD 4.31Å; L3-M31 HydrophobicContact CD2-CG 4.07Å; L3-M31 HydrophobicContact CD2-SD 4.41Å; D7-M31 HydrophobicContact CB-CE 3.77Å; W10-M31 HydrophobicContact CE3-CE 3.84Å; W10-M31 HydrophobicContact CE3-SD 4.26Å; W10-M31 HydrophobicContact CZ3-CE 4.19Å; W10-M31 HydrophobicContact CZ3-SD 4.38Å; L11-M31 HydrophobicContact CB-SD 3.82Å; L11-M31 HydrophobicContact CD1-CB 4.44Å; L11-M31 HydrophobicContact CD1-SD 3.95Å; L11-M31 HydrophobicContact CD2-CB 4.43Å; L11-M31 HydrophobicContact CD2-SD 4.06Å; L11-M31 HydrophobicContact CG-SD 4.16Å; D27-M31 PolarHBondContact O-N 3.46Å; D27-M31 VanDerWaalsContact O-N 3.12Å; E28-M31 PolarHBondContact O-N 3.4Å; L29-M31 VanDerWaalsContact C-N 3.35Å; M31-A33 PolarHBondContact O-N 3.49Å; M31-V34 PolarHBondContact O-N 2.92Å; M31-L35 HydrophobicContact CE-CD1 3.96Å; M31-L35 HydrophobicContact CG-CD1 3.93Å; M31-L35 HydrophobicContact CG-CG 4.49Å; M31-L35 WeakPolarHBondContact O-CB 3.43Å; M31-L35 VanDerWaalsContact O-CG 3.28Å; M31-L35 WeakPolarHBondContact O-CG 3.49Å; M31-L35 PolarHBondContact O-N 2.98Å; M31-L295 HydrophobicContact CB-CD2 4.32Å; M31-L295 HydrophobicContact CE-CD2 4.35Å; M31-L295 HydrophobicContact CG-CD2 3.74Å; M31-L295 HydrophobicContact SD-CD2 4.21Å; M31-F298 HydrophobicContact CE-CD1 3.76Å; M31-F298 HydrophobicContact CE-CE1 3.39Å; M31-F298 HydrophobicContact CE-CZ 4.12Å
32E91.6Very high90.3Very high56 Ų5644.3 Ų44.326%0.26225%0.25SC..Hα-helixtrans-59.6-44.3174.7-71.4-177.7170.100112.1Y1 L3 E28 L29 L35 V36Y1-E32 WeakPolarHBondContact O-CG 3.46Å; Y1-E32 VanDerWaalsContact O-OE1 3.13Å; L3-E32 HydrophobicContact CD1-CG 4.37Å; L3-E32 HydrophobicContact CD2-CG 3.55Å; L3-E32 HydrophobicContact CG-CG 3.65Å; E28-E32 WeakPolarHBondContact O-CG 3.48Å; E28-E32 PolarHBondContact O-N 3.48Å; L29-E32 PolarHBondContact O-N 3.42Å; E32-L35 PolarHBondContact O-N 3.42Å; E32-V36 VanDerWaalsContact O-CG2 3.31Å; E32-V36 WeakPolarHBondContact O-CG2 3.46Å; E32-V36 PolarHBondContact O-N 3.29Å
33A89.7Confident90.3Very high45 Ų4543.5 Ų43.537%0.37223%0.229SC..Hα-helixtrans-63.4-45.2-179.700000112.5L29 T30 M31 V36 E37L29-A33 WeakPolarHBondContact O-CB 3.41Å; L29-A33 PolarHBondContact O-N 2.9Å; T30-A33 PolarHBondContact O-N 3Å; M31-A33 PolarHBondContact O-N 3.49Å; A33-V36 PolarHBondContact O-N 3.01Å; A33-E37 PolarHBondContact O-N 3.41Å
34V92.8Very high90.3Very high0 Ų046.6 Ų46.60%024%0.241CC..Hα-helixtrans-65.2-42176.4174.30000111.3T30 M31 V36 E37 L38 V281 L285 L287 V292 L295T30-V34 VanDerWaalsContact O-CG2 3.3Å; T30-V34 WeakPolarHBondContact O-CG2 3.4Å; T30-V34 PolarHBondContact O-N 2.91Å; M31-V34 PolarHBondContact O-N 2.92Å; V34-V36 VanDerWaalsContact C-N 3.34Å; V34-V36 PolarHBondContact O-N 2.92Å; V34-E37 PolarHBondContact O-N 2.81Å; V34-L38 HydrophobicContact CG1-CD1 3.76Å; V34-L38 HydrophobicContact CG1-CG 4.12Å; V34-L38 WeakPolarHBondContact O-CB 3.11Å; V34-L38 WeakPolarHBondContact O-CG 3.31Å; V34-L38 PolarHBondContact O-N 3.3Å; V34-V281 HydrophobicContact CG1-CG1 4.31Å; V34-L285 HydrophobicContact CB-CD1 4.17Å; V34-L285 HydrophobicContact CG2-CD1 3.58Å; V34-L287 HydrophobicContact CG2-CD1 3.37Å; V34-V292 HydrophobicContact CG1-CG1 4.38Å; V34-L295 HydrophobicContact CB-CD1 3.73Å; V34-L295 HydrophobicContact CG1-CB 3.81Å; V34-L295 HydrophobicContact CG1-CD1 3.66Å; V34-L295 HydrophobicContact CG1-CG 4.36Å; V34-L295 HydrophobicContact CG2-CD1 3.8Å
35L92.4Very high90.3Very high1 Ų145.2 Ų45.21%0.00523%0.226CC..Hα-helixtrans-64.7-36.9177.6-70.4173.5000112.3Y1 L3 M31 E32 L38 E39 W299Y1-L35 HydrophobicContact CD1-CB 4.15Å; Y1-L35 HydrophobicContact CD1-CD1 3.79Å; Y1-L35 HydrophobicContact CE1-CB 4.49Å; Y1-L35 HydrophobicContact CE1-CD1 3.44Å; Y1-L35 VanDerWaalsContact CE1-CD1 3.44Å; L3-L35 HydrophobicContact CD2-CD1 4.31Å; M31-L35 HydrophobicContact CE-CD1 3.96Å; M31-L35 HydrophobicContact CG-CD1 3.93Å; M31-L35 HydrophobicContact CG-CG 4.49Å; M31-L35 WeakPolarHBondContact O-CB 3.43Å; M31-L35 VanDerWaalsContact O-CG 3.28Å; M31-L35 WeakPolarHBondContact O-CG 3.49Å; M31-L35 PolarHBondContact O-N 2.98Å; E32-L35 PolarHBondContact O-N 3.42Å; L35-L38 HydrophobicContact CD2-CD1 4.32Å; L35-E39 WeakPolarHBondContact O-CG 3.43Å; L35-E39 PolarHBondContact O-N 3.07Å; L35-W299 HydrophobicContact CD2-CB 3.77Å; L35-W299 HydrophobicContact CD2-CG 4.3Å
36V90.8Very high90.1Very high47 Ų4742.4 Ų42.429%0.28521%0.214SC..Hα-helixtrans-67.2-43.2173.7170.50000111.7E32 A33 V34 E39 R40 V312 L314E32-V36 VanDerWaalsContact O-CG2 3.31Å; E32-V36 WeakPolarHBondContact O-CG2 3.46Å; E32-V36 PolarHBondContact O-N 3.29Å; A33-V36 PolarHBondContact O-N 3.01Å; V34-V36 VanDerWaalsContact C-N 3.34Å; V34-V36 PolarHBondContact O-N 2.92Å; V36-E39 PolarHBondContact O-N 3.39Å; V36-R40 WeakPolarHBondContact O-CB 3.32Å; V36-R40 PolarHBondContact O-N 3.22Å; V36-V312 HydrophobicContact CG2-CG2 4.19Å; V36-L314 HydrophobicContact CG1-CD2 4.25Å
37E91.1Very high89.5Confident24 Ų2446.3 Ų46.311%0.11223%0.232CC..Hα-helixtrans-70.5-36.4179.9-17661.1-169.200112.5A33 V34 E39 R40 V41 V281 N284 L285A33-E37 PolarHBondContact O-N 3.41Å; V34-E37 PolarHBondContact O-N 2.81Å; E37-E39 VanDerWaalsContact C-N 3.35Å; E37-E39 PolarHBondContact O-N 2.84Å; E37-R40 PolarHBondContact O-N 2.84Å; E37-R40 IonicContact OE1-CZ 3.8Å; E37-R40 IonicContact OE1-NE 3.65Å; E37-R40 PolarHBondContact OE1-NE 3.48Å; E37-R40 IonicContact OE1-NH2 2.77Å; E37-R40 PolarHBondContact OE1-NH2 3.01Å; E37-R40 WeakPolarHBondContact OE2-CD 3.36Å; E37-R40 IonicContact OE2-CZ 3.67Å; E37-R40 IonicContact OE2-NE 2.66Å; E37-R40 PolarHBondContact OE2-NE 2.92Å; E37-R40 IonicContact OE2-NH2 2.71Å; E37-V41 HydrophobicContact CG-CG2 4.44Å; E37-V41 WeakPolarHBondContact O-CG2 3.37Å; E37-V41 PolarHBondContact O-N 3.15Å; E37-V281 HydrophobicContact CB-CG1 4.26Å; E37-V281 HydrophobicContact CG-CG1 3.95Å; E37-V281 HydrophobicContact CG-CG2 4.29Å; E37-N284 PolarHBondContact OE1-ND2 3.44Å; E37-L285 HydrophobicContact CB-CD1 3.95Å; E37-L285 HydrophobicContact CB-CD2 4.42Å; E37-L285 HydrophobicContact CB-CG 4.38Å; E37-L285 HydrophobicContact CG-CD1 4.24Å; E37-L285 HydrophobicContact CG-CD2 4.49Å; E37-L285 HydrophobicContact CG-CG 4.26Å
38L92.6Very high88.9Confident0 Ų046.8 Ų46.80%023%0.232CC..Hα-helixtrans-57.8-45.8171.3-76.1168000111.2V34 L35 C42 V276 V281 Y296 W299V34-L38 HydrophobicContact CG1-CD1 3.76Å; V34-L38 HydrophobicContact CG1-CG 4.12Å; V34-L38 WeakPolarHBondContact O-CB 3.11Å; V34-L38 WeakPolarHBondContact O-CG 3.31Å; V34-L38 PolarHBondContact O-N 3.3Å; L35-L38 HydrophobicContact CD2-CD1 4.32Å; L38-C42 VanDerWaalsContact O-CB 3.23Å; L38-C42 WeakPolarHBondContact O-CB 3.4Å; L38-C42 PolarHBondContact O-N 3.02Å; L38-V276 HydrophobicContact CD2-CG1 3.65Å; L38-V281 HydrophobicContact CD2-CG1 4.38Å; L38-V281 HydrophobicContact CD2-CG2 4.14Å; L38-V281 HydrophobicContact CG-CG1 4.35Å; L38-Y296 HydrophobicContact CD2-CD2 3.96Å; L38-W299 HydrophobicContact CB-CD2 4.06Å; L38-W299 HydrophobicContact CB-CG 4.21Å; L38-W299 HydrophobicContact CD1-CB 3.74Å; L38-W299 HydrophobicContact CD1-CD2 4.22Å; L38-W299 HydrophobicContact CD1-CG 3.87Å; L38-W299 HydrophobicContact CD2-CE3 4.33Å
39E91.8Very high88.4Confident4 Ų442.3 Ų42.32%0.01921%0.213CC..Hα-helixtrans-67.4-38.3175-64.5-66.7-174.700112.4L35 V36 E37 C42 E43 W299 R303 L311 V312L35-E39 WeakPolarHBondContact O-CG 3.43Å; L35-E39 PolarHBondContact O-N 3.07Å; V36-E39 PolarHBondContact O-N 3.39Å; E37-E39 VanDerWaalsContact C-N 3.35Å; E37-E39 PolarHBondContact O-N 2.84Å; E39-C42 WeakPolarHBondContact O-CB 3.37Å; E39-C42 PolarHBondContact O-N 3.31Å; E39-E43 WeakPolarHBondContact O-CB 3.34Å; E39-E43 PolarHBondContact O-N 2.89Å; E39-W299 PolarHBondContact OE1-NE1 2.83Å; E39-R303 WeakPolarHBondContact OE1-CD 3.28Å; E39-R303 IonicContact OE2-CZ 3.3Å; E39-R303 IonicContact OE2-NE 3.46Å; E39-R303 IonicContact OE2-NH1 2.65Å; E39-R303 PolarHBondContact OE2-NH1 3.5Å; E39-L311 VanDerWaalsContact OE1-CB 3.25Å; E39-L311 WeakPolarHBondContact OE1-CB 3.39Å; E39-L311 VanDerWaalsContact OE1-CG 3.29Å; E39-L311 WeakPolarHBondContact OE1-CG 3.41Å; E39-L311 PolarHBondContact OE1-N 3.05Å; E39-V312 HydrophobicContact CB-CB 4.18Å; E39-V312 HydrophobicContact CB-CG2 4.48Å; E39-V312 HydrophobicContact CG-CB 4.04Å; E39-V312 HydrophobicContact CG-CG2 4.01Å
40R89.3Confident87.6Confident86 Ų8638.9 Ų38.933%0.32520%0.195SC..Hα-helixtrans-63.6-47179.5-164.6-160.266.866.94.2112.1V36 E37 C42 E43 E44 L314V36-R40 WeakPolarHBondContact O-CB 3.32Å; V36-R40 PolarHBondContact O-N 3.22Å; E37-R40 PolarHBondContact O-N 2.84Å; E37-R40 IonicContact OE1-CZ 3.8Å; E37-R40 IonicContact OE1-NE 3.65Å; E37-R40 PolarHBondContact OE1-NE 3.48Å; E37-R40 IonicContact OE1-NH2 2.77Å; E37-R40 PolarHBondContact OE1-NH2 3.01Å; E37-R40 WeakPolarHBondContact OE2-CD 3.36Å; E37-R40 IonicContact OE2-CZ 3.67Å; E37-R40 IonicContact OE2-NE 2.66Å; E37-R40 PolarHBondContact OE2-NE 2.92Å; E37-R40 IonicContact OE2-NH2 2.71Å; R40-C42 VanDerWaalsContact C-N 3.31Å; R40-E43 PolarHBondContact O-N 3.28Å; R40-E44 IonicContact CZ-OE2 3.32Å; R40-E44 IonicContact NH1-OE2 2.76Å; R40-E44 PolarHBondContact NH1-OE2 3.11Å; R40-E44 IonicContact NH2-OE2 2.66Å; R40-E44 VanDerWaalsContact O-CB 3.3Å; R40-E44 WeakPolarHBondContact O-CB 3.46Å; R40-E44 PolarHBondContact O-N 2.92Å; R40-L314 VanDerWaalsContact CA-CD1 3.47Å; R40-L314 HydrophobicContact CB-CD1 3.84Å; R40-L314 HydrophobicContact CG-CD1 4.04Å
41V90.1Very high86.4Confident4 Ų443.1 Ų43.12%0.02421%0.212CC..Hα-helixtrans-67.2-35.1175.21760000110.8E37 K45 V276 V281E37-V41 HydrophobicContact CG-CG2 4.44Å; E37-V41 WeakPolarHBondContact O-CG2 3.37Å; E37-V41 PolarHBondContact O-N 3.15Å; V41-K45 HydrophobicContact CG1-CD 3.85Å; V41-K45 HydrophobicContact CG1-CG 4.5Å; V41-K45 WeakPolarHBondContact O-CB 3.34Å; V41-K45 PolarHBondContact O-N 2.65Å; V41-V276 HydrophobicContact CB-CG1 4.41Å; V41-V276 HydrophobicContact CB-CG2 4.5Å; V41-V276 HydrophobicContact CG1-CG1 4.17Å; V41-V276 HydrophobicContact CG1-CG2 4.27Å; V41-V281 HydrophobicContact CG2-CG2 4.15Å
42C90Very high85.1Confident0 Ų046.9 Ų46.90%024%0.236CC..Hα-helixtrans-64.5-48.5174.9-168.60000112L38 E39 R40 M46 V276 W299 R303L38-C42 VanDerWaalsContact O-CB 3.23Å; L38-C42 WeakPolarHBondContact O-CB 3.4Å; L38-C42 PolarHBondContact O-N 3.02Å; E39-C42 WeakPolarHBondContact O-CB 3.37Å; E39-C42 PolarHBondContact O-N 3.31Å; R40-C42 VanDerWaalsContact C-N 3.31Å; C42-M46 WeakPolarHBondContact O-CB 3.4Å; C42-M46 PolarHBondContact O-N 3.22Å; C42-V276 VanDerWaalsContact CA-CG2 3.49Å; C42-V276 HydrophobicContact CB-CG2 3.54Å; C42-W299 HydrophobicContact CB-CH2 4.05Å; C42-W299 HydrophobicContact CB-CZ2 3.88Å; C42-R303 PolarHBondContact SG-NH1 3.35Å; C42-R303 VanDerWaalsContact SG-NH1 3.37Å
43E86.8Confident83.2Confident81 Ų8152.2 Ų52.238%0.37926%0.26SS..Hα-helixtrans-65.8-45.6-178.9-173.6177.1-107.200111.1E39 R40 M46 Q47E39-E43 WeakPolarHBondContact O-CB 3.34Å; E39-E43 PolarHBondContact O-N 2.89Å; R40-E43 PolarHBondContact O-N 3.28Å; E43-M46 PolarHBondContact O-N 2.81Å; E43-Q47 WeakPolarHBondContact O-CB 3.39Å; E43-Q47 PolarHBondContact O-N 2.98Å
44E86.8Confident81.5Confident87 Ų8759.4 Ų59.441%0.40729%0.286SS..Hα-helixtrans-59.6-51.2177.6179.1172.7-165.800112.1R40 Q47 Q48R40-E44 IonicContact CZ-OE2 3.32Å; R40-E44 IonicContact NH1-OE2 2.76Å; R40-E44 PolarHBondContact NH1-OE2 3.11Å; R40-E44 IonicContact NH2-OE2 2.66Å; R40-E44 VanDerWaalsContact O-CB 3.3Å; R40-E44 WeakPolarHBondContact O-CB 3.46Å; R40-E44 PolarHBondContact O-N 2.92Å; E44-Q47 PolarHBondContact O-N 3.11Å; E44-Q48 VanDerWaalsContact O-CG 3.29Å; E44-Q48 WeakPolarHBondContact O-CG 3.49Å; E44-Q48 PolarHBondContact O-N 3.44Å
45K86.6Confident79.5Confident56 Ų5660.7 Ų60.724%0.24330%0.3CS..Hα-helixtrans-74.8-24.9-179.4-69.2177.1177.51800112.9V41 A49 L275 D280V41-K45 HydrophobicContact CG1-CD 3.85Å; V41-K45 HydrophobicContact CG1-CG 4.5Å; V41-K45 WeakPolarHBondContact O-CB 3.34Å; V41-K45 PolarHBondContact O-N 2.65Å; K45-A49 VanDerWaalsContact O-CB 3.29Å; K45-A49 WeakPolarHBondContact O-CB 3.33Å; K45-A49 PolarHBondContact O-N 2.98Å; K45-L275 HydrophobicContact CB-CB 4.12Å; K45-L275 WeakPolarHBondContact CD-O 3.33Å; K45-L275 PolarHBondContact NZ-O 3.32Å; K45-D280 IonicContact NZ-OD2 3.32Å; K45-D280 PolarHBondContact NZ-OD2 3.07Å
46M84.6Confident77.3Confident42 Ų4261 Ų6121%0.20730%0.301CS..Hα-helixtrans-70.5-42.4171.6-172.5170.172.500111.2C42 E43 A49 I50 L275C42-M46 WeakPolarHBondContact O-CB 3.4Å; C42-M46 PolarHBondContact O-N 3.22Å; E43-M46 PolarHBondContact O-N 2.81Å; M46-A49 PolarHBondContact O-N 2.71Å; M46-I50 HydrophobicContact CG-CD1 4.2Å; M46-I50 WeakPolarHBondContact O-CD1 3.47Å; M46-I50 VanDerWaalsContact O-CG1 3.28Å; M46-I50 WeakPolarHBondContact O-CG1 3.5Å; M46-I50 PolarHBondContact O-N 3.47Å; M46-L275 HydrophobicContact CB-CD1 3.63Å; M46-L275 HydrophobicContact CG-CD1 4.08Å
47Q79Confident75Confident92 Ų9260.9 Ų60.943%0.4331%0.309SS..Hα-helixtrans-62.5-44.9173.3-173.862.822.400110.9E43 E44 A49 I50 E51E43-Q47 WeakPolarHBondContact O-CB 3.39Å; E43-Q47 PolarHBondContact O-N 2.98Å; E44-Q47 PolarHBondContact O-N 3.11Å; Q47-A49 VanDerWaalsContact C-N 3.32Å; Q47-A49 PolarHBondContact O-N 3.26Å; Q47-I50 WeakPolarHBondContact O-CB 3.24Å; Q47-I50 PolarHBondContact O-N 2.74Å; Q47-I50 VanDerWaalsContact O-N 3.09Å; Q47-E51 WeakPolarHBondContact CG-OE1 3.01Å; Q47-E51 PolarHBondContact NE2-OE1 2.55Å; Q47-E51 WeakPolarHBondContact O-CB 2.91Å; Q47-E51 WeakPolarHBondContact O-CG 3.36Å; Q47-E51 PolarHBondContact O-N 2.82Å
48Q79.4Confident72.8Confident90 Ų9062.6 Ų62.642%0.42132%0.318SS..Hα-helixtrans-60.7-38173.9-70.2167.59.400112.4E44 I50 E51 T52E44-Q48 VanDerWaalsContact O-CG 3.29Å; E44-Q48 WeakPolarHBondContact O-CG 3.49Å; E44-Q48 PolarHBondContact O-N 3.44Å; Q48-I50 VanDerWaalsContact C-N 3.29Å; Q48-I50 PolarHBondContact O-N 2.92Å; Q48-E51 PolarHBondContact O-N 2.82Å; Q48-T52 WeakPolarHBondContact O-CB 3.09Å; Q48-T52 WeakPolarHBondContact O-CG2 3.32Å; Q48-T52 PolarHBondContact O-N 2.77Å; Q48-T52 PolarHBondContact O-OG1 2.85Å
49A78.1Confident70.4Confident16 Ų1670 Ų7013%0.13235%0.353CS..Hα-helixtrans-71.6-20.4175.600000114K45 M46 Q47 L268 L275K45-A49 VanDerWaalsContact O-CB 3.29Å; K45-A49 WeakPolarHBondContact O-CB 3.33Å; K45-A49 PolarHBondContact O-N 2.98Å; M46-A49 PolarHBondContact O-N 2.71Å; Q47-A49 VanDerWaalsContact C-N 3.32Å; Q47-A49 PolarHBondContact O-N 3.26Å; A49-L268 HydrophobicContact CB-CD2 4.28Å; A49-L275 HydrophobicContact CB-CD2 4.31Å
50I72.6Confident68.1Low47 Ų4779.5 Ų79.524%0.24139%0.39CS..Hα-helixtrans-82.1-37.3171.6-70.8163.7000110.7M46 Q47 Q48 L56 I58 L265 L268M46-I50 HydrophobicContact CG-CD1 4.2Å; M46-I50 WeakPolarHBondContact O-CD1 3.47Å; M46-I50 VanDerWaalsContact O-CG1 3.28Å; M46-I50 WeakPolarHBondContact O-CG1 3.5Å; M46-I50 PolarHBondContact O-N 3.47Å; Q47-I50 WeakPolarHBondContact O-CB 3.24Å; Q47-I50 PolarHBondContact O-N 2.74Å; Q47-I50 VanDerWaalsContact O-N 3.09Å; Q48-I50 VanDerWaalsContact C-N 3.29Å; Q48-I50 PolarHBondContact O-N 2.92Å; I50-L56 HydrophobicContact CB-CD1 4.18Å; I50-L56 HydrophobicContact CG1-CD1 4.19Å; I50-L56 HydrophobicContact CG2-CD1 3.91Å; I50-I58 WeakPolarHBondContact O-CD1 3.39Å; I50-L265 HydrophobicContact CD1-CD2 4.4Å; I50-L265 HydrophobicContact CG1-CD2 4.19Å; I50-L268 HydrophobicContact CG1-CD1 4.47Å
51E66.6Low66.3Low127 Ų12777.9 Ų77.959%0.59339%0.388SS*.Hα-helixtrans-81.1-25.6-178.6-71.7171.6179.600114Q47 Q48Q47-E51 WeakPolarHBondContact CG-OE1 3.01Å; Q47-E51 PolarHBondContact NE2-OE1 2.55Å; Q47-E51 WeakPolarHBondContact O-CB 2.91Å; Q47-E51 WeakPolarHBondContact O-CG 3.36Å; Q47-E51 PolarHBondContact O-N 2.82Å; Q48-E51 PolarHBondContact O-N 2.82Å
52T65.5Low64.5Low80 Ų8086 Ų8649%0.49143%0.425SS..SBendtrans-89.2142.2-176.150.60000114Q48 E54 G55Q48-T52 WeakPolarHBondContact O-CB 3.09Å; Q48-T52 WeakPolarHBondContact O-CG2 3.32Å; Q48-T52 PolarHBondContact O-N 2.77Å; Q48-T52 PolarHBondContact O-OG1 2.85Å; T52-E54 PolarHBondContact O-N 3.14Å; T52-G55 PolarHBondContact O-N 3.42Å; T52-G55 VanDerWaalsContact O-N 3.09Å
53E51.4Low62.9Low168 Ų16891.8 Ų91.879%0.78546%0.457SS*.Hα-helixtrans-54.3-43.6-165.7-160.5170.7-179.800113.9G55 G57E53-G55 PolarHBondContact O-N 2.96Å; E53-G57 WeakPolarHBondContact O-CA 3.42Å; E53-G57 PolarHBondContact O-N 3.16Å; E53-G57 VanDerWaalsContact O-N 3.09Å
54E53.4Low62.3Low196 Ų19690.5 Ų90.592%0.91645%0.454SS*.Hα-helixtrans-76.8-19.2-177.5-61.4-167135.700114.2T52T52-E54 PolarHBondContact O-N 3.14Å
55G50.8Low62Low27 Ų2788.8 Ų88.828%0.27845%0.449SS..Hα-helixtrans-75.7-48.2-174.600000113.5T52 E53T52-G55 PolarHBondContact O-N 3.42Å; T52-G55 VanDerWaalsContact O-N 3.09Å; E53-G55 PolarHBondContact O-N 2.96Å
56L46.9Very low61.8Low8 Ų886.1 Ų86.14%0.04244%0.438CS..Hα-helixtrans-111.6-18.3179.1-73.2-179.4000114.1I50 I58 K264 L265 L268I50-L56 HydrophobicContact CB-CD1 4.18Å; I50-L56 HydrophobicContact CG1-CD1 4.19Å; I50-L56 HydrophobicContact CG2-CD1 3.91Å; L56-I58 HydrophobicContact CB-CD1 4.26Å; L56-I58 HydrophobicContact CB-CG1 3.79Å; L56-I58 HydrophobicContact CD1-CD1 4.24Å; L56-K264 VanDerWaalsContact C-NZ 3.26Å; L56-K264 HydrophobicContact CD2-CB 3.61Å; L56-K264 HydrophobicContact CD2-CD 4.35Å; L56-K264 WeakPolarHBondContact O-CD 3.35Å; L56-K264 PolarHBondContact O-NZ 3.48Å; L56-L265 HydrophobicContact CD1-CD2 3.78Å; L56-L265 HydrophobicContact CD1-CG 4.25Å; L56-L265 HydrophobicContact CD2-CD2 4.08Å; L56-L265 HydrophobicContact CD2-CG 3.96Å; L56-L268 HydrophobicContact CD2-CD1 3.93Å; L56-L268 HydrophobicContact CG-CD1 4.29Å
57G42.4Very low61.9Low43 Ų4386.1 Ų86.144%0.44344%0.439SS..  trans63.150.4-169.800000110.6E53 E59E53-G57 WeakPolarHBondContact O-CA 3.42Å; E53-G57 PolarHBondContact O-N 3.16Å; E53-G57 VanDerWaalsContact O-N 3.09Å; G57-E59 PolarHBondContact O-N 3.3Å
58I44.3Very low62.3Low61 Ų6181.8 Ų81.831%0.31342%0.419SS..  trans-77.768169.2-46.9176.5000107.5I50 L56 Y60I50-I58 WeakPolarHBondContact O-CD1 3.39Å; L56-I58 HydrophobicContact CB-CD1 4.26Å; L56-I58 HydrophobicContact CB-CG1 3.79Å; L56-I58 HydrophobicContact CD1-CD1 4.24Å; I58-Y60 VanDerWaalsContact C-N 3.34Å; I58-Y60 HydrophobicContact CG2-CD2 4.28Å; I58-Y60 HydrophobicContact CG2-CE2 4.32Å; I58-Y60 HydrophobicContact CG2-CG 4.5Å; I58-Y60 PolarHBondContact O-N 2.76Å; I58-Y60 VanDerWaalsContact O-N 3.13Å
59E41.2Very low62.3Low154 Ų15480.1 Ų80.172%0.7242%0.416SS*.  trans-52.3114137.1-72.1172.6-159.400105.1G57 D61G57-E59 PolarHBondContact O-N 3.3Å; E59-D61 PolarHBondContact O-N 3.35Å
60Y45.3Very low62.2Low204 Ų20482.9 Ų82.980%0.842%0.423SS*.  trans-62.3100.2157-68.4-99.1000104.5I58 E62I58-Y60 VanDerWaalsContact C-N 3.34Å; I58-Y60 HydrophobicContact CG2-CD2 4.28Å; I58-Y60 HydrophobicContact CG2-CE2 4.32Å; I58-Y60 HydrophobicContact CG2-CG 4.5Å; I58-Y60 PolarHBondContact O-N 2.76Å; I58-Y60 VanDerWaalsContact O-N 3.13Å; Y60-E62 VanDerWaalsContact C-N 3.29Å; Y60-E62 PolarHBondContact O-N 2.71Å
61D50.3Low62.3Low52 Ų5281.8 Ų81.828%0.27842%0.42SS..  trans-55.6103.7162.1-96.8-40.1000105.2E59 D63 V64 K257E59-D61 PolarHBondContact O-N 3.35Å; D61-D63 PolarHBondContact O-N 3.26Å; D61-V64 HydrophobicContact CB-CB 4.36Å; D61-V64 HydrophobicContact CB-CG2 3.5Å; D61-V64 WeakPolarHBondContact O-CB 3.37Å; D61-V64 PolarHBondContact O-N 3.46Å; D61-K257 IonicContact OD1-NZ 2.71Å; D61-K257 PolarHBondContact OD1-NZ 3.4Å; D61-K257 VanDerWaalsContact OD2-CD 3.3Å; D61-K257 WeakPolarHBondContact OD2-CD 3.44Å; D61-K257 IonicContact OD2-NZ 2.76Å; D61-K257 PolarHBondContact OD2-NZ 3.14Å
62E52.2Low62.5Low174 Ų17478.7 Ų78.781%0.81341%0.411SS*.THydrogen-bonded Turntrans-60.8-15.3176.6-58.3-176.5153.400110.7Y60 P72Y60-E62 VanDerWaalsContact C-N 3.29Å; Y60-E62 PolarHBondContact O-N 2.71Å; E62-P72 WeakPolarHBondContact O-CB 3.25Å
63D57.4Low62.5Low123 Ų12381.9 Ų81.966%0.65842%0.42SS*.THydrogen-bonded Turntrans-78.6-7.7169.9-76-35.1000115.3D61 V65D61-D63 PolarHBondContact O-N 3.26Å; D63-V65 PolarHBondContact O-N 3Å
64V73Confident62.9Low54 Ų5476.2 Ų76.233%0.32741%0.406SS..  trans-75.294-179.5170.60000110.8D61 M80 F82D61-V64 HydrophobicContact CB-CB 4.36Å; D61-V64 HydrophobicContact CB-CG2 3.5Å; D61-V64 WeakPolarHBondContact O-CB 3.37Å; D61-V64 PolarHBondContact O-N 3.46Å; V64-M80 HydrophobicContact CG1-CE 4.24Å; V64-M80 WeakPolarHBondContact O-CE 3.35Å; V64-F82 HydrophobicContact CG1-CE1 4.07Å; V64-F82 HydrophobicContact CG1-CZ 3.93Å
65V80.4Confident63.1Low50 Ų5073.3 Ų73.330%0.30339%0.393SS..  trans-90.2144.2-178.9-59.90000113.8D63 D67 R70 P72D63-V65 PolarHBondContact O-N 3Å; V65-D67 PolarHBondContact O-N 2.85Å; V65-R70 WeakPolarHBondContact CG1-O 3.47Å; V65-P72 HydrophobicContact CG1-CB 4.18Å; V65-P72 HydrophobicContact CG1-CG 4.42Å
66C83.3Confident63.4Low0 Ų080.4 Ų80.40%042%0.424CS..  trans-60.4131.6176165.60000112V68 C69 R70 S71 M80 H91C66-V68 PolarHBondContact O-N 2.81Å; C66-V68 PolarHBondContact SG-N 2.98Å; C66-C69 VanDerWaalsContact CB-SG 3.58Å; C66-C69 VanDerWaalsContact SG-SG 3.63Å; C66-R70 WeakPolarHBondContact O-CA 3.21Å; C66-R70 PolarHBondContact O-N 2.86Å; C66-S71 PolarHBondContact N-O 3.5Å; C66-M80 HydrophobicContact CB-CE 4.04Å; C66-M80 HydrophobicContact CB-SD 3.83Å; C66-H91 WeakPolarHBondContact CB-ND1 3.34Å; C66-H91 PolarHBondContact SG-N 3.22Å
67D86.3Confident64.4Low42 Ų4282.8 Ų82.823%0.22545%0.451CS..THydrogen-bonded Turntrans-65.1-2.7-178.8-93.4-46.5000115.3V65 R70 V88 C89 V90 A127V65-D67 PolarHBondContact O-N 2.85Å; D67-R70 IonicContact OD1-CZ 3.89Å; D67-R70 IonicContact OD1-NH1 2.7Å; D67-R70 PolarHBondContact OD1-NH1 2.92Å; D67-R70 IonicContact OD1-NH2 3.72Å; D67-V88 HydrophobicContact CB-CG2 3.96Å; D67-V88 VanDerWaalsContact OD2-CG2 3.26Å; D67-V88 WeakPolarHBondContact OD2-CG2 3.38Å; D67-C89 WeakPolarHBondContact CB-O 3.45Å; D67-C89 PolarHBondContact N-O 2.97Å; D67-V90 HydrophobicContact CB-CG1 4.41Å; D67-A127 HydrophobicContact CB-CB 4.34Å
68V86.6Confident65.9Low2 Ų282.2 Ų82.21%0.01244%0.438CS..THydrogen-bonded Turntrans-109.8-50.2178.5-178.50000112.5C66 V90 C94 A127 V140 L144C66-V68 PolarHBondContact O-N 2.81Å; C66-V68 PolarHBondContact SG-N 2.98Å; V68-V90 HydrophobicContact CG2-CG1 3.97Å; V68-C94 HydrophobicContact CB-CB 3.88Å; V68-C94 HydrophobicContact CG1-CB 4.08Å; V68-C94 HydrophobicContact CG2-CB 4.3Å; V68-A127 HydrophobicContact CG2-CB 3.56Å; V68-V140 HydrophobicContact CG1-CB 4.12Å; V68-V140 HydrophobicContact CG1-CG1 3.93Å; V68-V140 HydrophobicContact CG2-CB 4.11Å; V68-L144 HydrophobicContact CG1-CD1 3.78Å
69C80.3Confident67.6Low54 Ų5484.1 Ų84.137%0.36545%0.445SS..THydrogen-bonded Turntrans-102.2-15.7-176.465.40000114.8C66 S71 H91C66-C69 VanDerWaalsContact CB-SG 3.58Å; C66-C69 VanDerWaalsContact SG-SG 3.63Å; C69-S71 PolarHBondContact O-N 2.86Å; C69-H91 PolarHBondContact SG-ND1 3.1Å; C69-H91 VanDerWaalsContact SG-ND1 3.45Å
70R77.1Confident69.7Low75 Ų7579 Ų7928%0.28342%0.422SS..  trans59.520.4-174.9-60.5-57-156.1-161.86.4116.1V65 C66 D67 F203 D204V65-R70 WeakPolarHBondContact CG1-O 3.47Å; C66-R70 WeakPolarHBondContact O-CA 3.21Å; C66-R70 PolarHBondContact O-N 2.86Å; D67-R70 IonicContact OD1-CZ 3.89Å; D67-R70 IonicContact OD1-NH1 2.7Å; D67-R70 PolarHBondContact OD1-NH1 2.92Å; D67-R70 IonicContact OD1-NH2 3.72Å; R70-F203 HydrophobicContact CB-CD1 4.2Å; R70-F203 HydrophobicContact CB-CE1 4.29Å; R70-F203 HydrophobicContact CG-CB 4.3Å; R70-F203 HydrophobicContact CG-CD1 3.45Å; R70-F203 VanDerWaalsContact CG-CD1 3.45Å; R70-F203 HydrophobicContact CG-CE1 3.83Å; R70-F203 HydrophobicContact CG-CG 3.95Å; R70-D204 IonicContact NH2-OD1 2.69Å; R70-D204 PolarHBondContact NH2-OD1 2.95Å
71S74.1Confident71.7Confident24 Ų2469.7 Ų69.717%0.16839%0.386CS..  trans-93147.1162.1169.70000110.8C66 C69 E73C66-S71 PolarHBondContact N-O 3.5Å; C69-S71 PolarHBondContact O-N 2.86Å; S71-E73 VanDerWaalsContact OG-CB 3.27Å; S71-E73 WeakPolarHBondContact OG-CB 3.28Å; S71-E73 VanDerWaalsContact OG-CD 3.3Å; S71-E73 VanDerWaalsContact OG-CG 3.3Å; S71-E73 WeakPolarHBondContact OG-CG 3.47Å; S71-E73 PolarHBondContact OG-N 2.88Å; S71-E73 PolarHBondContact OG-OE2 3.03Å
72P70.3Confident73.4Confident62 Ų6270 Ų7040%0.40339%0.385SS..  trans-86.1-6.4167.636.6-34.2000113.5E62 V65 G74E62-P72 WeakPolarHBondContact O-CB 3.25Å; V65-P72 HydrophobicContact CG1-CB 4.18Å; V65-P72 HydrophobicContact CG1-CG 4.42Å; P72-G74 PolarHBondContact O-N 2.82Å; P72-G74 VanDerWaalsContact O-N 3.16Å
73E64.8Low75Confident147 Ų14761.8 Ų61.869%0.68735%0.347SS*.  trans-76100.5-171.2-58.4154.4135.700111.6S71 H91S71-E73 VanDerWaalsContact OG-CB 3.27Å; S71-E73 WeakPolarHBondContact OG-CB 3.28Å; S71-E73 VanDerWaalsContact OG-CD 3.3Å; S71-E73 VanDerWaalsContact OG-CG 3.3Å; S71-E73 WeakPolarHBondContact OG-CG 3.47Å; S71-E73 PolarHBondContact OG-N 2.88Å; S71-E73 PolarHBondContact OG-OE2 3.03Å; E73-H91 PolarHBondContact O-CE1 2.96Å; E73-H91 PolarHBondContact O-NE2 3.49Å; E73-H91 VanDerWaalsContact O-NE2 3.1Å
74G60.2Low76.3Confident48 Ų4860.2 Ų60.250%0.49534%0.338SS..  trans-86.1138.2167.100000112P72P72-G74 PolarHBondContact O-N 2.82Å; P72-G74 VanDerWaalsContact O-N 3.16Å
75E58.3Low76.6Confident135 Ų13563.7 Ų63.763%0.63135%0.349SS*.BIsolated β-bridgetrans-116.5158.3177.3-61.8174.7141.700110.9G77 N78E75-G77 PolarHBondContact O-N 2.89Å; E75-G77 VanDerWaalsContact O-N 3.16Å; E75-N78 HydrophobicContact CB-CB 4.37Å; E75-N78 CarbonylContact O-C 3.59Å; E75-N78 WeakPolarHBondContact O-CA 3.45Å; E75-N78 PolarHBondContact O-N 3.05Å
76D55.9Low76.6Confident176 Ų17664.4 Ų64.494%0.94136%0.356SS*.THydrogen-bonded Turntrans-56.1117.5175.8-74.8-24.1000111.1N78D76-N78 VanDerWaalsContact C-N 3.34Å
77G68.1Low76.5Confident59 Ų5967.1 Ų67.161%0.60837%0.37SS*.THydrogen-bonded Turntrans82.52.9-175.100000115.5E75E75-G77 PolarHBondContact O-N 2.89Å; E75-G77 VanDerWaalsContact O-N 3.16Å
78N73.8Confident76.6Confident31 Ų3165.4 Ų65.417%0.16636%0.361CS..BIsolated β-bridgetrans-130.740.1172.3-175.439.3000111.6E75 D76 H91 A93E75-N78 HydrophobicContact CB-CB 4.37Å; E75-N78 CarbonylContact O-C 3.59Å; E75-N78 WeakPolarHBondContact O-CA 3.45Å; E75-N78 PolarHBondContact O-N 3.05Å; D76-N78 VanDerWaalsContact C-N 3.34Å; N78-H91 PolarHBondContact O-CD2 3.06Å; N78-A93 WeakPolarHBondContact OD1-CB 3.46Å; N78-A93 PolarHBondContact OD1-N 2.97Å
79E81.2Confident76.7Confident100 Ų10065.6 Ų65.647%0.46736%0.363SS..  trans-56.7158.7-173.7-57152.7-17900114.3H91 Q92E79-H91 WeakPolarHBondContact O-CA 3.47Å; E79-Q92 PolarHBondContact O-N 2.79Å; E79-Q92 VanDerWaalsContact O-N 3.07Å; E79-Q92 PolarHBondContact OE2-NE2 3.32Å
80M85.2Confident77.1Confident46 Ų4663 Ų6323%0.22735%0.345CS..EExtended strand (participates in β ladder)trans-80.1112.9171.8-82.6-74.6-111.600112V64 C66 C89 H91V64-M80 HydrophobicContact CG1-CE 4.24Å; V64-M80 WeakPolarHBondContact O-CE 3.35Å; C66-M80 HydrophobicContact CB-CE 4.04Å; C66-M80 HydrophobicContact CB-SD 3.83Å; M80-C89 WeakPolarHBondContact CE-SG 3.48Å; M80-H91 VanDerWaalsContact CG-CD2 3.44Å; M80-H91 WeakPolarHBondContact CG-CD2 3.47Å; M80-H91 VanDerWaalsContact CG-NE2 3.35Å; M80-H91 WeakPolarHBondContact CG-NE2 3.47Å; M80-H91 PolarHBondContact SD-CD2 2.96Å; M80-H91 PolarHBondContact SD-NE2 3.37Å; M80-H91 VanDerWaalsContact SD-NE2 3.37Å
81V87.1Confident77.5Confident9 Ų959.7 Ų59.76%0.05533%0.333CS..EExtended strand (participates in β ladder)trans-105.7128.9-178.6-168.70000110.9C89 V90 Q92 I97 V100 W105V81-C89 WeakPolarHBondContact O-CA 3.26Å; V81-V90 PolarHBondContact N-O 3.38Å; V81-V90 PolarHBondContact O-N 3.06Å; V81-Q92 HydrophobicContact CG2-CG 3.78Å; V81-I97 HydrophobicContact CB-CD1 3.81Å; V81-I97 HydrophobicContact CG1-CD1 4.09Å; V81-I97 HydrophobicContact CG2-CD1 3.82Å; V81-V100 HydrophobicContact CG1-CG1 4.31Å; V81-V100 HydrophobicContact CG2-CG1 4.37Å; V81-V100 HydrophobicContact CG2-CG2 3.86Å; V81-W105 HydrophobicContact CG1-CB 3.98Å; V81-W105 HydrophobicContact CG1-CD2 3.6Å; V81-W105 HydrophobicContact CG1-CE3 3.64Å; V81-W105 HydrophobicContact CG1-CG 3.72Å; V81-W105 HydrophobicContact CG1-CZ3 4.34Å
82F86Confident78Confident59 Ų5959.6 Ų59.626%0.25933%0.33SS..EExtended strand (participates in β ladder)trans-102.4140.6178.2-64.8-99.6000111V64 V88 C89V64-F82 HydrophobicContact CG1-CE1 4.07Å; V64-F82 HydrophobicContact CG1-CZ 3.93Å; F82-V88 WeakPolarHBondContact CA-O 3.46Å; F82-C89 HydrophobicContact CD1-CB 3.86Å; F82-C89 HydrophobicContact CE1-CB 3.76Å; F82-C89 WeakPolarHBondContact CE1-SG 3.42Å; F82-C89 HydrophobicContact CZ-CB 4.37Å; F82-C89 WeakPolarHBondContact CZ-SG 3.31Å
83C86.3Confident78.7Confident1 Ų159.4 Ų59.41%0.00733%0.334CS..  trans-89.2116.4174.4177.40000112.5K85 C86 N87 V88 W105 C107C83-K85 PolarHBondContact O-N 2.77Å; C83-C86 PolarHBondContact O-N 2.77Å; C83-C86 VanDerWaalsContact O-N 3.11Å; C83-N87 WeakPolarHBondContact O-CA 3.47Å; C83-N87 PolarHBondContact O-N 3.44Å; C83-V88 HydrophobicContact CB-CG1 3.62Å; C83-V88 PolarHBondContact N-O 2.88Å; C83-W105 WeakPolarHBondContact CA-O 3.37Å; C83-W105 HydrophobicContact CB-CE3 3.89Å; C83-W105 HydrophobicContact CB-CZ3 3.73Å; C83-C107 HydrophobicContact CB-CB 4.07Å; C83-C107 PolarHBondContact SG-N 3.46Å
84D84.9Confident79.6Confident90 Ų9053.6 Ų53.648%0.48131%0.309SS..THydrogen-bonded Turntrans-57.7-25.4-173.8-42.8-63.2000114.2N104 W105 L106D84-N104 WeakPolarHBondContact OD2-CA 3.48Å; D84-N104 WeakPolarHBondContact OD2-CB 3.33Å; D84-W105 PolarHBondContact N-O 3.44Å; D84-W105 PolarHBondContact OD2-N 3.34Å; D84-W105 VanDerWaalsContact OD2-O 3.1Å; D84-L106 HydrophobicContact CB-CD2 4.48Å
85K78.2Confident81Confident127 Ų12751.7 Ų51.755%0.55229%0.287SS*.THydrogen-bonded Turntrans-92.6-21.6-176.6-178.5168.3168.9-176.70114.6C83 L106 C110C83-K85 PolarHBondContact O-N 2.77Å; K85-L106 HydrophobicContact CB-CD2 3.68Å; K85-C110 HydrophobicContact CB-CB 4.06Å; K85-C110 HydrophobicContact CD-CB 3.91Å; K85-C110 HydrophobicContact CG-CB 4.2Å; K85-C110 PolarHBondContact NZ-O 3.28Å; K85-C110 VanDerWaalsContact NZ-O 3.14Å
86C79.9Confident82.5Confident65 Ų6545.9 Ų45.944%0.43926%0.263SS..THydrogen-bonded Turntrans-1455.6-176.879.70000116C83 V88 C107 C110C83-C86 PolarHBondContact O-N 2.77Å; C83-C86 VanDerWaalsContact O-N 3.11Å; C86-V88 PolarHBondContact O-N 3.06Å; C86-C107 VanDerWaalsContact SG-SG 3.62Å; C86-C110 VanDerWaalsContact CB-SG 3.59Å
87N82.5Confident84Confident58 Ų5838.4 Ų38.431%0.3122%0.223SC..  trans48.733.8178.7-15195000114.8C83 V258C83-N87 WeakPolarHBondContact O-CA 3.47Å; C83-N87 PolarHBondContact O-N 3.44Å; N87-V258 HydrophobicContact CB-CG1 3.78Å
88V88.1Confident84.8Confident5 Ų541.3 Ų41.33%0.0322%0.224CC..  trans-71.6130.7164.467.80000107.2D67 F82 C83 C86 V90 W105 C107 A127D67-V88 HydrophobicContact CB-CG2 3.96Å; D67-V88 VanDerWaalsContact OD2-CG2 3.26Å; D67-V88 WeakPolarHBondContact OD2-CG2 3.38Å; F82-V88 WeakPolarHBondContact CA-O 3.46Å; C83-V88 HydrophobicContact CB-CG1 3.62Å; C83-V88 PolarHBondContact N-O 2.88Å; C86-V88 PolarHBondContact O-N 3.06Å; V88-V90 HydrophobicContact CG2-CG1 4.28Å; V88-W105 HydrophobicContact CG1-CZ3 4.42Å; V88-C107 HydrophobicContact CG1-CB 3.67Å; V88-A127 HydrophobicContact CG2-CB 4.13Å
89C89.1Confident85.1Confident6 Ų644.7 Ų44.74%0.04124%0.237CC..EExtended strand (participates in β ladder)trans-110.7125.6-178-171.20000109.8D67 M80 V81 F82D67-C89 WeakPolarHBondContact CB-O 3.45Å; D67-C89 PolarHBondContact N-O 2.97Å; M80-C89 WeakPolarHBondContact CE-SG 3.48Å; V81-C89 WeakPolarHBondContact O-CA 3.26Å; F82-C89 HydrophobicContact CD1-CB 3.86Å; F82-C89 HydrophobicContact CE1-CB 3.76Å; F82-C89 WeakPolarHBondContact CE1-SG 3.42Å; F82-C89 HydrophobicContact CZ-CB 4.37Å; F82-C89 WeakPolarHBondContact CZ-SG 3.31Å
90V88.9Confident85Confident0 Ų041.8 Ų41.80%023%0.226CC..EExtended strand (participates in β ladder)trans-145.8137.5-175.4-67.60000112.7D67 V68 V81 V88 Y95 I97 W105 A127D67-V90 HydrophobicContact CB-CG1 4.41Å; V68-V90 HydrophobicContact CG2-CG1 3.97Å; V81-V90 PolarHBondContact N-O 3.38Å; V81-V90 PolarHBondContact O-N 3.06Å; V88-V90 HydrophobicContact CG2-CG1 4.28Å; V90-Y95 HydrophobicContact CG1-CD2 4.42Å; V90-Y95 HydrophobicContact CG2-CD1 4.42Å; V90-Y95 HydrophobicContact CG2-CG 4.03Å; V90-I97 HydrophobicContact CG2-CD1 4.16Å; V90-W105 HydrophobicContact CG2-CH2 3.7Å; V90-W105 HydrophobicContact CG2-CZ3 4.1Å; V90-A127 HydrophobicContact CG1-CB 3.86Å
91H83.9Confident84.7Confident6 Ų642.3 Ų42.33%0.02823%0.233CC..EExtended strand (participates in β ladder)trans-59.9143.6163.6-66.2131.7000111.2C66 C69 E73 N78 E79 M80 A93 C94 Y95C66-H91 WeakPolarHBondContact CB-ND1 3.34Å; C66-H91 PolarHBondContact SG-N 3.22Å; C69-H91 PolarHBondContact SG-ND1 3.1Å; C69-H91 VanDerWaalsContact SG-ND1 3.45Å; E73-H91 PolarHBondContact O-CE1 2.96Å; E73-H91 PolarHBondContact O-NE2 3.49Å; E73-H91 VanDerWaalsContact O-NE2 3.1Å; N78-H91 PolarHBondContact O-CD2 3.06Å; E79-H91 WeakPolarHBondContact O-CA 3.47Å; M80-H91 VanDerWaalsContact CG-CD2 3.44Å; M80-H91 WeakPolarHBondContact CG-CD2 3.47Å; M80-H91 VanDerWaalsContact CG-NE2 3.35Å; M80-H91 WeakPolarHBondContact CG-NE2 3.47Å; M80-H91 PolarHBondContact SD-CD2 2.96Å; M80-H91 PolarHBondContact SD-NE2 3.37Å; M80-H91 VanDerWaalsContact SD-NE2 3.37Å; H91-A93 PolarHBondContact O-N 3.3Å; H91-C94 HydrophobicContact CB-CB 3.89Å; H91-C94 WeakPolarHBondContact O-CB 3.33Å; H91-C94 PolarHBondContact O-N 2.99Å; H91-Y95 PolarHBondContact O-N 3.29Å
92Q85.2Confident83.9Confident21 Ų2148.1 Ų48.110%0.09826%0.26CS..Hα-helixtrans-50.8-52.6-179.7-65.5-169.951.500112.3E79 V81 C94 Y95 G96 I97 V100E79-Q92 PolarHBondContact O-N 2.79Å; E79-Q92 VanDerWaalsContact O-N 3.07Å; E79-Q92 PolarHBondContact OE2-NE2 3.32Å; V81-Q92 HydrophobicContact CG2-CG 3.78Å; Q92-C94 PolarHBondContact O-N 3.34Å; Q92-Y95 PolarHBondContact O-N 3.42Å; Q92-G96 PolarHBondContact O-N 2.96Å; Q92-I97 HydrophobicContact CB-CB 4.21Å; Q92-I97 HydrophobicContact CG-CB 4.47Å; Q92-I97 PolarHBondContact O-N 3.05Å; Q92-V100 HydrophobicContact CG-CG2 3.87Å; Q92-V100 VanDerWaalsContact NE2-CG2 3.33Å
93A84.9Confident83.4Confident59 Ų5947.6 Ų47.649%0.48827%0.27SS..Hα-helixtrans-65.3-37.5179.300000112.3N78 H91 Y95 G96 M157N78-A93 WeakPolarHBondContact OD1-CB 3.46Å; N78-A93 PolarHBondContact OD1-N 2.97Å; H91-A93 PolarHBondContact O-N 3.3Å; A93-Y95 PolarHBondContact O-N 2.86Å; A93-G96 PolarHBondContact O-N 3.05Å; A93-M157 WeakPolarHBondContact O-CE 3.42Å
94C83.6Confident83Confident24 Ų2454 Ų5416%0.16231%0.305CS..Hα-helixtrans-63.7-25.2-179.3-78.90000114.1V68 H91 Q92V68-C94 HydrophobicContact CB-CB 3.88Å; V68-C94 HydrophobicContact CG1-CB 4.08Å; V68-C94 HydrophobicContact CG2-CB 4.3Å; H91-C94 HydrophobicContact CB-CB 3.89Å; H91-C94 WeakPolarHBondContact O-CB 3.33Å; H91-C94 PolarHBondContact O-N 2.99Å; Q92-C94 PolarHBondContact O-N 3.34Å
95Y91Very high83.2Confident9 Ų951.2 Ų51.24%0.03529%0.287CS..Hα-helixtrans-113.9-0.7177.3-162.5-107.2000113.9V90 H91 Q92 A93 I97 W105 C107 R108 A127 L128 K129 V140V90-Y95 HydrophobicContact CG1-CD2 4.42Å; V90-Y95 HydrophobicContact CG2-CD1 4.42Å; V90-Y95 HydrophobicContact CG2-CG 4.03Å; H91-Y95 PolarHBondContact O-N 3.29Å; Q92-Y95 PolarHBondContact O-N 3.42Å; A93-Y95 PolarHBondContact O-N 2.86Å; Y95-I97 HydrophobicContact CD1-CG1 4.24Å; Y95-W105 AromaticContact CD1-CH2 3.76Å; Y95-W105 HydrophobicContact CD1-CH2 3.76Å; Y95-W105 AromaticContact CD1-CZ2 3.59Å; Y95-W105 HydrophobicContact CD1-CZ2 3.59Å; Y95-W105 AromaticContact CE1-CH2 3.86Å; Y95-W105 HydrophobicContact CE1-CH2 3.86Å; Y95-W105 AromaticContact CE1-CZ2 3.72Å; Y95-W105 HydrophobicContact CE1-CZ2 3.72Å; Y95-C107 HydrophobicContact CE1-CB 4.3Å; Y95-R108 WeakPolarHBondContact OH-CB 3.07Å; Y95-R108 PolarHBondContact OH-N 2.87Å; Y95-A127 HydrophobicContact CD2-CB 3.98Å; Y95-A127 HydrophobicContact CE2-CB 4.03Å; Y95-L128 PolarHBondContact OH-O 3.33Å; Y95-K129 HydrophobicContact CE1-CD 4.34Å; Y95-K129 HydrophobicContact CE2-CD 3.99Å; Y95-K129 HydrophobicContact CE2-CG 4.02Å; Y95-K129 VanDerWaalsContact O-CE 3.23Å; Y95-K129 WeakPolarHBondContact O-CE 3.38Å; Y95-K129 PolarHBondContact O-NZ 2.8Å; Y95-V140 HydrophobicContact CD2-CG2 3.89Å; Y95-V140 HydrophobicContact CE2-CG2 4.06Å
96G88Confident83.7Confident13 Ų1348.6 Ų48.613%0.13428%0.279CS..THydrogen-bonded Turntrans69.142.2-179.400000112.9Q92 A93 E155Q92-G96 PolarHBondContact O-N 2.96Å; A93-G96 PolarHBondContact O-N 3.05Å; G96-E155 WeakPolarHBondContact CA-O 3.46Å
97I87.8Confident84.1Confident19 Ų1945.6 Ų45.610%0.09726%0.259CS..  trans-81113170.7-55.6175.1000106.5V81 V90 Q92 Y95 K99 W105V81-I97 HydrophobicContact CB-CD1 3.81Å; V81-I97 HydrophobicContact CG1-CD1 4.09Å; V81-I97 HydrophobicContact CG2-CD1 3.82Å; V90-I97 HydrophobicContact CG2-CD1 4.16Å; Q92-I97 HydrophobicContact CB-CB 4.21Å; Q92-I97 HydrophobicContact CG-CB 4.47Å; Q92-I97 PolarHBondContact O-N 3.05Å; Y95-I97 HydrophobicContact CD1-CG1 4.24Å; I97-K99 WeakPolarHBondContact CG2-O 3.2Å; I97-W105 HydrophobicContact CD1-CD2 4.35Å; I97-W105 HydrophobicContact CD1-CH2 4.02Å; I97-W105 HydrophobicContact CD1-CZ2 3.45Å; I97-W105 VanDerWaalsContact CD1-CZ2 3.45Å; I97-W105 HydrophobicContact CG1-CZ2 3.88Å
98L84.8Confident84.5Confident120 Ų12047.6 Ų47.663%0.62826%0.262SS*.SBendtrans-82.1-20-177.8-64.4-179.9000113.7E155 K156L98-E155 HydrophobicContact CD2-CB 4.24Å; L98-E155 VanDerWaalsContact CD2-O 3.3Å; L98-E155 WeakPolarHBondContact CD2-O 3.37Å; L98-K156 HydrophobicContact CD1-CD 4.41Å; L98-K156 HydrophobicContact CD1-CG 3.99Å; L98-K156 HydrophobicContact CD2-CG 4.5Å; L98-K156 HydrophobicContact CG-CG 4.36Å
99K80.4Confident84.7Confident101 Ų10148 Ų4844%0.43926%0.264SS..SBendtrans-161.5135.3172.4173.1163.6-178.5170.60107.7I97I97-K99 WeakPolarHBondContact CG2-O 3.2Å
100V79.3Confident84.5Confident39 Ų3948.4 Ų48.424%0.23627%0.267CS..  trans-72.8131169.5-165.90000108.6V81 Q92V81-V100 HydrophobicContact CG1-CG1 4.31Å; V81-V100 HydrophobicContact CG2-CG1 4.37Å; V81-V100 HydrophobicContact CG2-CG2 3.86Å; Q92-V100 HydrophobicContact CG-CG2 3.87Å; Q92-V100 VanDerWaalsContact NE2-CG2 3.33Å
101P79.4Confident84.5Confident57 Ų5751 Ų5137%0.3729%0.289SS..  trans-65.9148.7170.526.4-32.1000111G103 W105P101-G103 VanDerWaalsContact CG-O 3.27Å; P101-G103 WeakPolarHBondContact CG-O 3.28Å; P101-G103 PolarHBondContact O-N 3.35Å; P101-W105 HydrophobicContact CG-CB 3.91Å; P101-W105 HydrophobicContact CG-CG 4.37Å
102Q68.9Low84.7Confident132 Ų13255 Ų5562%0.61731%0.31SS*.SBendtrans-718.9174.5-72.8177-21.700113.7D320Q102-D320 PolarHBondContact NE2-OD2 2.82Å
103G76Confident84.7Confident47 Ų4756.7 Ų56.749%0.48533%0.333SS..SBendtrans-156.9-164.9177.200000109.3P101 W105P101-G103 VanDerWaalsContact CG-O 3.27Å; P101-G103 WeakPolarHBondContact CG-O 3.28Å; P101-G103 PolarHBondContact O-N 3.35Å; G103-W105 PolarHBondContact O-N 3.25Å
104N78.5Confident84.8Confident137 Ų13756.9 Ų56.973%0.73333%0.328SS*.  trans-38.3119.8-168.9-61.812.3000115.8D84D84-N104 WeakPolarHBondContact OD2-CA 3.48Å; D84-N104 WeakPolarHBondContact OD2-CB 3.33Å
105W89.3Confident85.1Confident30 Ų3065 Ų6511%0.11436%0.363CS..  trans-100.7124.5174-177.580000111.8V81 C83 D84 V88 V90 Y95 I97 P101 G103 C107V81-W105 HydrophobicContact CG1-CB 3.98Å; V81-W105 HydrophobicContact CG1-CD2 3.6Å; V81-W105 HydrophobicContact CG1-CE3 3.64Å; V81-W105 HydrophobicContact CG1-CG 3.72Å; V81-W105 HydrophobicContact CG1-CZ3 4.34Å; C83-W105 WeakPolarHBondContact CA-O 3.37Å; C83-W105 HydrophobicContact CB-CE3 3.89Å; C83-W105 HydrophobicContact CB-CZ3 3.73Å; D84-W105 PolarHBondContact N-O 3.44Å; D84-W105 PolarHBondContact OD2-N 3.34Å; D84-W105 VanDerWaalsContact OD2-O 3.1Å; V88-W105 HydrophobicContact CG1-CZ3 4.42Å; V90-W105 HydrophobicContact CG2-CH2 3.7Å; V90-W105 HydrophobicContact CG2-CZ3 4.1Å; Y95-W105 AromaticContact CD1-CH2 3.76Å; Y95-W105 HydrophobicContact CD1-CH2 3.76Å; Y95-W105 AromaticContact CD1-CZ2 3.59Å; Y95-W105 HydrophobicContact CD1-CZ2 3.59Å; Y95-W105 AromaticContact CE1-CH2 3.86Å; Y95-W105 HydrophobicContact CE1-CH2 3.86Å; Y95-W105 AromaticContact CE1-CZ2 3.72Å; Y95-W105 HydrophobicContact CE1-CZ2 3.72Å; I97-W105 HydrophobicContact CD1-CD2 4.35Å; I97-W105 HydrophobicContact CD1-CH2 4.02Å; I97-W105 HydrophobicContact CD1-CZ2 3.45Å; I97-W105 VanDerWaalsContact CD1-CZ2 3.45Å; I97-W105 HydrophobicContact CG1-CZ2 3.88Å; P101-W105 HydrophobicContact CG-CB 3.91Å; P101-W105 HydrophobicContact CG-CG 4.37Å; G103-W105 PolarHBondContact O-N 3.25Å; W105-C107 HydrophobicContact CH2-CB 3.58Å; W105-C107 HydrophobicContact CZ2-CB 4.27Å; W105-C107 HydrophobicContact CZ3-CB 3.85Å
106L87.7Confident85.1Confident73 Ų7365.9 Ų65.938%0.38237%0.37SS..  trans-113.2120.2177-62.4-177.5000111.8D84 K85 C110 A111D84-L106 HydrophobicContact CB-CD2 4.48Å; K85-L106 HydrophobicContact CB-CD2 3.68Å; L106-C110 HydrophobicContact CB-CB 4.36Å; L106-C110 HydrophobicContact CD2-CB 4.45Å; L106-A111 HydrophobicContact CB-CB 3.97Å
107C89.7Confident85.4Confident2 Ų271.8 Ų71.81%0.01439%0.392CS..  trans-59.2159.3171.175.90000111.8C83 C86 V88 Y95 W105 T109 C110 A111C83-C107 HydrophobicContact CB-CB 4.07Å; C83-C107 PolarHBondContact SG-N 3.46Å; C86-C107 VanDerWaalsContact SG-SG 3.62Å; V88-C107 HydrophobicContact CG1-CB 3.67Å; Y95-C107 HydrophobicContact CE1-CB 4.3Å; W105-C107 HydrophobicContact CH2-CB 3.58Å; W105-C107 HydrophobicContact CZ2-CB 4.27Å; W105-C107 HydrophobicContact CZ3-CB 3.85Å; C107-T109 VanDerWaalsContact C-N 3.25Å; C107-T109 PolarHBondContact O-N 2.78Å; C107-T109 VanDerWaalsContact O-N 3.07Å; C107-T109 PolarHBondContact SG-OG1 3.15Å; C107-T109 VanDerWaalsContact SG-OG1 3.37Å; C107-C110 WeakPolarHBondContact O-CB 3.38Å; C107-C110 PolarHBondContact O-N 3.38Å; C107-C110 VanDerWaalsContact SG-SG 3.7Å; C107-A111 PolarHBondContact O-N 2.79Å
108R90.9Very high85.8Confident100 Ų10071.4 Ų71.438%0.37739%0.391SS..Hα-helixtrans-61.8-28.7-163.5-16559.9171.5152.41.5114.4Y95 L112 K129 W137Y95-R108 WeakPolarHBondContact OH-CB 3.07Å; Y95-R108 PolarHBondContact OH-N 2.87Å; R108-L112 WeakPolarHBondContact O-CG 3.27Å; R108-L112 PolarHBondContact O-N 3.11Å; R108-K129 HydrophobicContact CB-CD 4.22Å; R108-K129 HydrophobicContact CG-CD 4.48Å; R108-W137 HydrophobicContact CB-CH2 4.44Å; R108-W137 HydrophobicContact CB-CZ3 4.24Å; R108-W137 HydrophobicContact CG-CH2 4.01Å; R108-W137 HydrophobicContact CG-CZ3 4.13Å
109T91.2Very high86.3Confident12 Ų1268.3 Ų68.37%0.07438%0.375CS..Hα-helixtrans-73.3-45.4173.347.90000111.8C107 L112 G113 V114 P116 L128 W137C107-T109 VanDerWaalsContact C-N 3.25Å; C107-T109 PolarHBondContact O-N 2.78Å; C107-T109 VanDerWaalsContact O-N 3.07Å; C107-T109 PolarHBondContact SG-OG1 3.15Å; C107-T109 VanDerWaalsContact SG-OG1 3.37Å; T109-L112 CarbonylContact O-C 3.59Å; T109-L112 PolarHBondContact O-N 3.32Å; T109-G113 PolarHBondContact O-N 2.78Å; T109-V114 PolarHBondContact O-N 3.1Å; T109-P116 HydrophobicContact CG2-CG 3.64Å; T109-L128 HydrophobicContact CG2-CB 3.8Å; T109-L128 HydrophobicContact CG2-CD1 4.12Å; T109-W137 HydrophobicContact CG2-CE3 3.84Å; T109-W137 HydrophobicContact CG2-CH2 4.01Å; T109-W137 HydrophobicContact CG2-CZ3 3.49Å; T109-W137 VanDerWaalsContact CG2-CZ3 3.49Å
110C86.2Confident87Confident15 Ų1563.6 Ų63.610%0.10135%0.354CS..Hα-helixtrans-65.2-43.2-179.5-800000113.1K85 C86 L106 C107 L112 G113K85-C110 HydrophobicContact CB-CB 4.06Å; K85-C110 HydrophobicContact CD-CB 3.91Å; K85-C110 HydrophobicContact CG-CB 4.2Å; K85-C110 PolarHBondContact NZ-O 3.28Å; K85-C110 VanDerWaalsContact NZ-O 3.14Å; C86-C110 VanDerWaalsContact CB-SG 3.59Å; L106-C110 HydrophobicContact CB-CB 4.36Å; L106-C110 HydrophobicContact CD2-CB 4.45Å; C107-C110 WeakPolarHBondContact O-CB 3.38Å; C107-C110 PolarHBondContact O-N 3.38Å; C107-C110 VanDerWaalsContact SG-SG 3.7Å; C110-L112 VanDerWaalsContact C-N 3.31Å; C110-L112 PolarHBondContact O-N 2.65Å; C110-G113 PolarHBondContact O-N 3.28Å; C110-G113 VanDerWaalsContact O-N 3.12Å
111A88.9Confident87.8Confident55 Ų5561.9 Ų61.946%0.45534%0.344SS..Hα-helixtrans-64.3-32.2176.200000113L106 C107L106-A111 HydrophobicContact CB-CB 3.97Å; C107-A111 PolarHBondContact O-N 2.79Å
112L86.4Confident88.5Confident91 Ų9161.1 Ų61.148%0.47634%0.339SS..THydrogen-bonded Turntrans-90.92.2174.1-67.3179.9000113.4R108 T109 C110 V114 W137R108-L112 WeakPolarHBondContact O-CG 3.27Å; R108-L112 PolarHBondContact O-N 3.11Å; T109-L112 CarbonylContact O-C 3.59Å; T109-L112 PolarHBondContact O-N 3.32Å; C110-L112 VanDerWaalsContact C-N 3.31Å; C110-L112 PolarHBondContact O-N 2.65Å; L112-V114 HydrophobicContact CB-CG2 3.97Å; L112-V114 PolarHBondContact O-N 2.83Å; L112-W137 HydrophobicContact CD1-CH2 4.02Å; L112-W137 HydrophobicContact CD1-CZ2 4.07Å
113G86Confident89.6Confident55 Ų5558 Ų5857%0.56732%0.323SS*.THydrogen-bonded Turntrans6810.8178.800000115.8T109 C110T109-G113 PolarHBondContact O-N 2.78Å; C110-G113 PolarHBondContact O-N 3.28Å; C110-G113 VanDerWaalsContact O-N 3.12Å
114V86.9Confident90.2Very high63 Ų6364 Ų6438%0.38233%0.331SS..  trans-102.6150.4-171.6-70.30000113.1T109 L112 P116 W137T109-V114 PolarHBondContact O-N 3.1Å; L112-V114 HydrophobicContact CB-CG2 3.97Å; L112-V114 PolarHBondContact O-N 2.83Å; V114-P116 HydrophobicContact CG2-CG 4.4Å; V114-P116 WeakPolarHBondContact O-CD 3.11Å; V114-W137 HydrophobicContact CG2-CH2 4.26Å; V114-W137 HydrophobicContact CG2-CZ2 3.87Å
115Q88.9Confident90.7Very high195 Ų19559.5 Ų59.591%0.91132%0.318SS*.  trans-117.969.6170.9-64.9-174.7-0.700111.1
116P92.3Very high90.7Very high28 Ų2859.3 Ų59.318%0.18233%0.325CS..PPolyproline II helixtrans-73.5158.3-178.532.3-34.8000111.8T109 V114 L128 W137T109-P116 HydrophobicContact CG2-CG 3.64Å; V114-P116 HydrophobicContact CG2-CG 4.4Å; V114-P116 WeakPolarHBondContact O-CD 3.11Å; P116-L128 HydrophobicContact CG-CD1 4.41Å; P116-W137 HydrophobicContact CB-CB 3.83Å; P116-W137 HydrophobicContact CB-CD2 4.03Å; P116-W137 HydrophobicContact CB-CG 3.51Å; P116-W137 HydrophobicContact CG-CB 4Å; P116-W137 HydrophobicContact CG-CD2 3.55Å; P116-W137 HydrophobicContact CG-CE3 3.96Å; P116-W137 HydrophobicContact CG-CG 3.56Å
117K93.3Very high91Very high136 Ų13655.9 Ų55.959%0.59131%0.308SS*.PPolyproline II helixtrans-86.5152.4165.8-62.5-177.1-178.9-176.90109.9
118C96Very high91.2Very high11 Ų1156 Ų567%0.07431%0.308CS..PPolyproline II helixtrans-64.8145.4160.8-170.90000110L120 L128 W137 H139C118-L120 PolarHBondContact SG-N 3.03Å; C118-L120 VanDerWaalsContact SG-N 3.37Å; C118-L128 HydrophobicContact CB-CD2 4.14Å; C118-W137 CarbonylContact C-O 3.39Å; C118-W137 WeakPolarHBondContact CA-O 3.37Å; C118-H139 WeakPolarHBondContact CB-ND1 3.36Å; C118-H139 PolarHBondContact SG-N 3.39Å; C118-H139 PolarHBondContact SG-ND1 3.42Å
119L95.8Very high91.4Very high56 Ų5651.5 Ų51.529%0.29329%0.291SS..SBendtrans-81.8-25.1172.5-171.667.9000112.6K136 W137 V138 V163 W171L119-K136 HydrophobicContact CD1-CD 4.1Å; L119-K136 HydrophobicContact CD2-CB 4.49Å; L119-K136 HydrophobicContact CD2-CD 3.7Å; L119-K136 HydrophobicContact CG-CD 4.5Å; L119-W137 PolarHBondContact N-O 3.02Å; L119-V138 HydrophobicContact CB-CG2 4.25Å; L119-V163 HydrophobicContact CD2-CG1 3.71Å; L119-W171 HydrophobicContact CD2-CH2 4.45Å; L119-W171 HydrophobicContact CG-CH2 4.37Å
120L96.5Very high91.6Very high1 Ų151.6 Ų51.61%0.00529%0.292CS..SBendtrans-103.7-6.2-165.5-54.1-170.3000114C118 V138 C142 I146 V149 V163 I166 W171 G183 T184C118-L120 PolarHBondContact SG-N 3.03Å; C118-L120 VanDerWaalsContact SG-N 3.37Å; L120-V138 HydrophobicContact CB-CG1 4.45Å; L120-V138 HydrophobicContact CD1-CG1 3.43Å; L120-V138 VanDerWaalsContact CD1-CG1 3.43Å; L120-V138 HydrophobicContact CD1-CG2 4.27Å; L120-V138 HydrophobicContact CG-CG1 3.79Å; L120-V138 HydrophobicContact CG-CG2 4.14Å; L120-C142 HydrophobicContact CB-CB 4.24Å; L120-C142 HydrophobicContact CD1-CB 4.4Å; L120-I146 HydrophobicContact CB-CD1 3.96Å; L120-I146 HydrophobicContact CD1-CD1 3.59Å; L120-I146 HydrophobicContact CG-CD1 4.34Å; L120-V149 HydrophobicContact CD1-CG2 3.96Å; L120-V163 HydrophobicContact CD2-CG1 4.02Å; L120-I166 HydrophobicContact CD1-CD1 4.29Å; L120-I166 HydrophobicContact CD2-CD1 3.91Å; L120-W171 HydrophobicContact CD2-CH2 3.56Å; L120-W171 HydrophobicContact CD2-CZ2 4.25Å; L120-W171 HydrophobicContact CD2-CZ3 4.25Å; L120-G183 WeakPolarHBondContact O-CA 3.26Å; L120-T184 HydrophobicContact CB-CG2 3.93Å; L120-T184 HydrophobicContact CD2-CG2 3.92Å; L120-T184 HydrophobicContact CG-CG2 4.32Å; L120-T184 PolarHBondContact O-N 2.84Å
121C96Very high91.9Very high3 Ų351.6 Ų51.62%0.0229%0.291CS..SBendtrans-156.7165.7175.772.80000110.6K123 H139 T182 H198 T200C121-K123 VanDerWaalsContact C-N 3.32Å; C121-K123 PolarHBondContact O-N 2.77Å; C121-H139 PolarHBondContact SG-ND1 3.3Å; C121-T182 CarbonylContact C-O 3.54Å; C121-T182 WeakPolarHBondContact CA-O 3.44Å; C121-H198 HydrophobicContact CB-CB 4Å; C121-T200 WeakPolarHBondContact CB-OG1 3.47Å; C121-T200 PolarHBondContact SG-OG1 3.33Å
122P93.5Very high91.9Very high42 Ų4259.2 Ų59.227%0.27331%0.308SS..SBendtrans-78.9-9.2-179.930.2-33.7000114.3T182P122-T182 HydrophobicContact CB-CG2 4.24Å; P122-T182 WeakPolarHBondContact CD-O 3.32Å
123K90.6Very high91.7Very high65 Ų6558.5 Ų58.528%0.28331%0.311SS..  trans-65.3141.1-174.6-169.8168.7-173.2172.40111.8C121 T200 D204C121-K123 VanDerWaalsContact C-N 3.32Å; C121-K123 PolarHBondContact O-N 2.77Å; K123-T200 HydrophobicContact CB-CG2 4.28Å; K123-T200 HydrophobicContact CD-CG2 4.05Å; K123-D204 WeakPolarHBondContact CD-OD2 3.41Å; K123-D204 WeakPolarHBondContact CE-OD2 3.17Å; K123-D204 IonicContact NZ-OD1 3.6Å; K123-D204 PolarHBondContact NZ-OD1 2.91Å; K123-D204 IonicContact NZ-OD2 2.7Å; K123-D204 PolarHBondContact NZ-OD2 3.04Å
124R89.6Confident91.7Very high173 Ų17358 Ų5865%0.65331%0.306SS*.  trans-109.3157.6176.2-64.7175.4176.2-111.418.1110.4
125G88.7Confident91.6Very high43 Ų4360.3 Ų60.344%0.44332%0.32SS..SBendtrans71.6-164.5-175.300000112.5H139G125-H139 PolarHBondContact O-NE2 2.95Å
126G89.7Confident91.8Very high26 Ų2656.4 Ų56.427%0.26830%0.3SS..SBendtrans74-176.2178.700000115.3L128G126-L128 PolarHBondContact O-N 3.26Å
127A92.9Very high92Very high2 Ų256.2 Ų56.22%0.01730%0.296CS..SBendtrans-71.593.2-173.100000112.9D67 V68 V88 V90 Y95 H139 V140D67-A127 HydrophobicContact CB-CB 4.34Å; V68-A127 HydrophobicContact CG2-CB 3.56Å; V88-A127 HydrophobicContact CG2-CB 4.13Å; V90-A127 HydrophobicContact CG1-CB 3.86Å; Y95-A127 HydrophobicContact CD2-CB 3.98Å; Y95-A127 HydrophobicContact CE2-CB 4.03Å; A127-H139 CarbonylContact O-C 3.35Å; A127-H139 VanDerWaalsContact O-CA 3.27Å; A127-H139 WeakPolarHBondContact O-CA 3.27Å; A127-V140 PolarHBondContact O-N 3Å
128L95.8Very high92.1Very high4 Ų449.8 Ų49.82%0.02127%0.268CS..EExtended strand (participates in β ladder)trans-107.2139.3-176.1-70.6159.4000112.1Y95 T109 P116 C118 G126 W137Y95-L128 PolarHBondContact OH-O 3.33Å; T109-L128 HydrophobicContact CG2-CB 3.8Å; T109-L128 HydrophobicContact CG2-CD1 4.12Å; P116-L128 HydrophobicContact CG-CD1 4.41Å; C118-L128 HydrophobicContact CB-CD2 4.14Å; G126-L128 PolarHBondContact O-N 3.26Å; L128-W137 HydrophobicContact CB-CE3 4.08Å
129K94.8Very high92.1Very high6 Ų649.5 Ų49.53%0.02627%0.265CS..EExtended strand (participates in β ladder)trans-128151.1171.3-71.2-65.7-168.6103.80111.1Y95 R108 W137 V138 V140 K156 E158 I160Y95-K129 HydrophobicContact CE1-CD 4.34Å; Y95-K129 HydrophobicContact CE2-CD 3.99Å; Y95-K129 HydrophobicContact CE2-CG 4.02Å; Y95-K129 VanDerWaalsContact O-CE 3.23Å; Y95-K129 WeakPolarHBondContact O-CE 3.38Å; Y95-K129 PolarHBondContact O-NZ 2.8Å; R108-K129 HydrophobicContact CB-CD 4.22Å; R108-K129 HydrophobicContact CG-CD 4.48Å; K129-W137 VanDerWaalsContact C-CE3 3.48Å; K129-V138 PolarHBondContact N-O 2.85Å; K129-V138 PolarHBondContact O-N 2.68Å; K129-V140 HydrophobicContact CB-CG2 4.28Å; K129-V140 HydrophobicContact CG-CG2 3.57Å; K129-K156 PolarHBondContact NZ-O 2.88Å; K129-E158 HydrophobicContact CD-CB 4.19Å; K129-E158 WeakPolarHBondContact CD-OE2 3.16Å; K129-E158 WeakPolarHBondContact CE-OE2 3.43Å; K129-E158 HydrophobicContact CG-CB 4.5Å; K129-E158 IonicContact NZ-OE2 2.68Å; K129-E158 PolarHBondContact NZ-OE2 3.05Å; K129-I160 HydrophobicContact CB-CD1 4.14Å; K129-I160 HydrophobicContact CB-CG1 4.05Å
130P94.8Very high92Very high14 Ų1446.8 Ų46.89%0.09125%0.251CS..EExtended strand (participates in β ladder)trans-77.6152.9-179.631.5-35.1000112.3K136 W137 I160P130-K136 CarbonylContact C-O 3.57Å; P130-K136 WeakPolarHBondContact CA-O 3.47Å; P130-W137 HydrophobicContact CB-CD2 4.2Å; P130-W137 HydrophobicContact CB-CE3 4.35Å; P130-W137 HydrophobicContact CB-CH2 4.47Å; P130-W137 HydrophobicContact CB-CZ2 4.27Å; P130-W137 HydrophobicContact CB-CZ3 4.49Å; P130-I160 PolarHBondContact O-N 3.37Å
131T93.3Very high91.8Very high14 Ų1447 Ų479%0.08625%0.253CS..BIsolated β-bridgetrans-73.3167.2166.658.20000111.3S133 G134 K136 V138 I160 V163T131-S133 PolarHBondContact O-N 3.01Å; T131-S133 PolarHBondContact OG1-OG 2.88Å; T131-S133 VanDerWaalsContact OG1-OG 3.05Å; T131-G134 PolarHBondContact O-N 3.03Å; T131-K136 HydrophobicContact CG2-CB 3.97Å; T131-K136 PolarHBondContact N-O 2.96Å; T131-K136 PolarHBondContact OG1-O 2.73Å; T131-V138 HydrophobicContact CG2-CG2 4.04Å; T131-I160 CarbonylContact C-O 3.29Å; T131-I160 VanDerWaalsContact CA-O 3.23Å; T131-I160 WeakPolarHBondContact CA-O 3.34Å; T131-I160 HydrophobicContact CG2-CB 4.37Å; T131-V163 HydrophobicContact CG2-CG2 4.33Å
132R87.8Confident91.7Very high216 Ų21646.8 Ų46.882%0.81525%0.252SS*.THydrogen-bonded Turntrans-52.6-21.9179-158.4-178.3-166.3-157.45114.9P159 I160R132-P159 HydrophobicContact CB-CB 4.47Å; R132-P159 HydrophobicContact CB-CG 4.28Å; R132-P159 HydrophobicContact CG-CG 4.22Å; R132-I160 PolarHBondContact N-O 2.87Å
133S83.4Confident91.7Very high75 Ų7545 Ų4552%0.52424%0.24SC..THydrogen-bonded Turntrans-85.6-6.3176.762.20000115T131 T135T131-S133 PolarHBondContact O-N 3.01Å; T131-S133 PolarHBondContact OG1-OG 2.88Å; T131-S133 VanDerWaalsContact OG1-OG 3.05Å; S133-T135 WeakPolarHBondContact CB-OG1 3.18Å; S133-T135 PolarHBondContact O-N 2.68Å; S133-T135 PolarHBondContact OG-OG1 3.39Å
134G84.8Confident91.6Very high45 Ų4544.5 Ų44.546%0.46424%0.24SC..SBendtrans69.2-21.4-172.300000115.6T131T131-G134 PolarHBondContact O-N 3.03Å
135T84.8Confident91.8Very high112 Ų11237.3 Ų37.369%0.68721%0.213SC*.SBendtrans-86.3-22.2-170.649.90000115.6S133S133-T135 WeakPolarHBondContact CB-OG1 3.18Å; S133-T135 PolarHBondContact O-N 2.68Å; S133-T135 PolarHBondContact OG-OG1 3.39Å
136K93.5Very high92Very high113 Ų11335.3 Ų35.349%0.49119%0.192SC..  trans-116.6156.2176.5-53.8-169.3-175.5-177.20109.8L119 P130 T131L119-K136 HydrophobicContact CD1-CD 4.1Å; L119-K136 HydrophobicContact CD2-CB 4.49Å; L119-K136 HydrophobicContact CD2-CD 3.7Å; L119-K136 HydrophobicContact CG-CD 4.5Å; P130-K136 CarbonylContact C-O 3.57Å; P130-K136 WeakPolarHBondContact CA-O 3.47Å; T131-K136 HydrophobicContact CG2-CB 3.97Å; T131-K136 PolarHBondContact N-O 2.96Å; T131-K136 PolarHBondContact OG1-O 2.73Å
137W95.6Very high91.9Very high24 Ų2438.7 Ų38.79%0.09121%0.209CC..EExtended strand (participates in β ladder)trans-134.3147.3-173.4-70.376.7000110.5R108 T109 L112 V114 P116 C118 L119 L128 K129 P130R108-W137 HydrophobicContact CB-CH2 4.44Å; R108-W137 HydrophobicContact CB-CZ3 4.24Å; R108-W137 HydrophobicContact CG-CH2 4.01Å; R108-W137 HydrophobicContact CG-CZ3 4.13Å; T109-W137 HydrophobicContact CG2-CE3 3.84Å; T109-W137 HydrophobicContact CG2-CH2 4.01Å; T109-W137 HydrophobicContact CG2-CZ3 3.49Å; T109-W137 VanDerWaalsContact CG2-CZ3 3.49Å; L112-W137 HydrophobicContact CD1-CH2 4.02Å; L112-W137 HydrophobicContact CD1-CZ2 4.07Å; V114-W137 HydrophobicContact CG2-CH2 4.26Å; V114-W137 HydrophobicContact CG2-CZ2 3.87Å; P116-W137 HydrophobicContact CB-CB 3.83Å; P116-W137 HydrophobicContact CB-CD2 4.03Å; P116-W137 HydrophobicContact CB-CG 3.51Å; P116-W137 HydrophobicContact CG-CB 4Å; P116-W137 HydrophobicContact CG-CD2 3.55Å; P116-W137 HydrophobicContact CG-CE3 3.96Å; P116-W137 HydrophobicContact CG-CG 3.56Å; C118-W137 CarbonylContact C-O 3.39Å; C118-W137 WeakPolarHBondContact CA-O 3.37Å; L119-W137 PolarHBondContact N-O 3.02Å; L128-W137 HydrophobicContact CB-CE3 4.08Å; K129-W137 VanDerWaalsContact C-CE3 3.48Å; P130-W137 HydrophobicContact CB-CD2 4.2Å; P130-W137 HydrophobicContact CB-CE3 4.35Å; P130-W137 HydrophobicContact CB-CH2 4.47Å; P130-W137 HydrophobicContact CB-CZ2 4.27Å; P130-W137 HydrophobicContact CB-CZ3 4.49Å
138V96.5Very high91.9Very high0 Ų040.7 Ų40.70%022%0.219CC..EExtended strand (participates in β ladder)trans-143.2143.8-175.3-177.70000108.6L119 L120 K129 T131 C142 A143 I160L119-V138 HydrophobicContact CB-CG2 4.25Å; L120-V138 HydrophobicContact CB-CG1 4.45Å; L120-V138 HydrophobicContact CD1-CG1 3.43Å; L120-V138 VanDerWaalsContact CD1-CG1 3.43Å; L120-V138 HydrophobicContact CD1-CG2 4.27Å; L120-V138 HydrophobicContact CG-CG1 3.79Å; L120-V138 HydrophobicContact CG-CG2 4.14Å; K129-V138 PolarHBondContact N-O 2.85Å; K129-V138 PolarHBondContact O-N 2.68Å; T131-V138 HydrophobicContact CG2-CG2 4.04Å; V138-C142 HydrophobicContact CG1-CB 4Å; V138-A143 HydrophobicContact CG1-CB 4.19Å; V138-I160 HydrophobicContact CB-CB 4.5Å; V138-I160 HydrophobicContact CB-CG1 4.27Å; V138-I160 HydrophobicContact CB-CG2 4.16Å; V138-I160 HydrophobicContact CG1-CG2 4.36Å; V138-I160 HydrophobicContact CG2-CG2 4.21Å
139H96.1Very high91.8Very high5 Ų540.9 Ų40.92%0.02322%0.22CC..EExtended strand (participates in β ladder)trans-66.1139.4170.9-69.9108.9000110.3C118 C121 G125 A127 S141 C142 A143C118-H139 WeakPolarHBondContact CB-ND1 3.36Å; C118-H139 PolarHBondContact SG-N 3.39Å; C118-H139 PolarHBondContact SG-ND1 3.42Å; C121-H139 PolarHBondContact SG-ND1 3.3Å; G125-H139 PolarHBondContact O-NE2 2.95Å; A127-H139 CarbonylContact O-C 3.35Å; A127-H139 VanDerWaalsContact O-CA 3.27Å; A127-H139 WeakPolarHBondContact O-CA 3.27Å; H139-S141 PolarHBondContact O-N 2.96Å; H139-C142 HydrophobicContact CB-CB 3.99Å; H139-C142 WeakPolarHBondContact O-CB 3.42Å; H139-C142 PolarHBondContact O-N 3.31Å; H139-A143 PolarHBondContact O-N 3.2Å
140V93.1Very high91.5Very high0 Ų042.1 Ų42.10%023%0.229CC..Hα-helixtrans-58.7-42.2176.8-1740000110.3V68 Y95 A127 K129 C142 A143 L144 I151 M157V68-V140 HydrophobicContact CG1-CB 4.12Å; V68-V140 HydrophobicContact CG1-CG1 3.93Å; V68-V140 HydrophobicContact CG2-CB 4.11Å; Y95-V140 HydrophobicContact CD2-CG2 3.89Å; Y95-V140 HydrophobicContact CE2-CG2 4.06Å; A127-V140 PolarHBondContact O-N 3Å; K129-V140 HydrophobicContact CB-CG2 4.28Å; K129-V140 HydrophobicContact CG-CG2 3.57Å; V140-C142 PolarHBondContact O-N 2.98Å; V140-A143 PolarHBondContact O-N 3.49Å; V140-L144 HydrophobicContact CG1-CD1 4.21Å; V140-L144 HydrophobicContact CG1-CG 4.47Å; V140-L144 WeakPolarHBondContact O-CG 3.24Å; V140-L144 PolarHBondContact O-N 3.31Å; V140-I151 HydrophobicContact CG1-CD1 4.3Å; V140-M157 HydrophobicContact CG1-CB 4.35Å; V140-M157 HydrophobicContact CG1-CG 4.44Å; V140-M157 HydrophobicContact CG1-SD 4.22Å
141S92.1Very high91.2Very high4 Ų442.9 Ų42.93%0.02823%0.232CC..Hα-helixtrans-57.8-44.4172.650.30000113.3H139 A143 L144 W145H139-S141 PolarHBondContact O-N 2.96Å; S141-A143 VanDerWaalsContact C-N 3.29Å; S141-A143 PolarHBondContact O-N 2.74Å; S141-L144 PolarHBondContact O-N 2.85Å; S141-W145 VanDerWaalsContact O-CD1 3.27Å; S141-W145 PolarHBondContact O-N 2.82Å; S141-W145 VanDerWaalsContact O-N 3.15Å
142C94Very high90.7Very high0 Ų044.4 Ų44.40%025%0.251CS..Hα-helixtrans-61.1-38.2173.1-72.20000112.4L120 V138 H139 V140 L144 I146L120-C142 HydrophobicContact CB-CB 4.24Å; L120-C142 HydrophobicContact CD1-CB 4.4Å; V138-C142 HydrophobicContact CG1-CB 4Å; H139-C142 HydrophobicContact CB-CB 3.99Å; H139-C142 WeakPolarHBondContact O-CB 3.42Å; H139-C142 PolarHBondContact O-N 3.31Å; V140-C142 PolarHBondContact O-N 2.98Å; C142-L144 VanDerWaalsContact C-N 3.35Å; C142-I146 HydrophobicContact CB-CD1 4.32Å; C142-I146 WeakPolarHBondContact O-CD1 3.43Å; C142-I146 WeakPolarHBondContact O-CG1 3.3Å; C142-I146 PolarHBondContact O-N 3.07Å
143A93.6Very high90.6Very high4 Ų435.8 Ų35.83%0.03322%0.223CC..Hα-helixtrans-73.4-23.3-179.300000114.2V138 H139 V140 S141 V149 I151 I160V138-A143 HydrophobicContact CG1-CB 4.19Å; H139-A143 PolarHBondContact O-N 3.2Å; V140-A143 PolarHBondContact O-N 3.49Å; S141-A143 VanDerWaalsContact C-N 3.29Å; S141-A143 PolarHBondContact O-N 2.74Å; A143-V149 HydrophobicContact CB-CG1 3.75Å; A143-I151 HydrophobicContact CB-CG1 4.42Å; A143-I160 HydrophobicContact CB-CD1 3.79Å; A143-I160 HydrophobicContact CB-CG1 4.38Å; A143-I160 HydrophobicContact CB-CG2 3.89Å
144L89.9Confident90.4Very high54 Ų5436.3 Ų36.328%0.28323%0.225SC..Hα-helixtrans-79.8-41.2173.8-69168.3000112V68 V140 S141 C142 I151 F221V68-L144 HydrophobicContact CG1-CD1 3.78Å; V140-L144 HydrophobicContact CG1-CD1 4.21Å; V140-L144 HydrophobicContact CG1-CG 4.47Å; V140-L144 WeakPolarHBondContact O-CG 3.24Å; V140-L144 PolarHBondContact O-N 3.31Å; S141-L144 PolarHBondContact O-N 2.85Å; C142-L144 VanDerWaalsContact C-N 3.35Å; L144-I151 HydrophobicContact CD2-CD1 3.88Å; L144-I151 HydrophobicContact CG-CD1 4.32Å; L144-F221 HydrophobicContact CB-CZ 4.37Å
145W92.2Very high90.2Very high22 Ų2238.5 Ų38.58%0.08322%0.223CC..Hα-helixtrans-89.3-12.8-169.9-78.282.7000115.3S141 P147 I186 V199 F203 M209 F221 K222S141-W145 VanDerWaalsContact O-CD1 3.27Å; S141-W145 PolarHBondContact O-N 2.82Å; S141-W145 VanDerWaalsContact O-N 3.15Å; W145-P147 WeakPolarHBondContact O-CD 3.33Å; W145-I186 HydrophobicContact CE3-CD1 4.41Å; W145-I186 WeakPolarHBondContact O-CG2 3.47Å; W145-V199 HydrophobicContact CB-CB 4.32Å; W145-V199 HydrophobicContact CB-CG1 3.65Å; W145-V199 HydrophobicContact CB-CG2 3.65Å; W145-V199 HydrophobicContact CG-CG1 3.87Å; W145-F203 HydrophobicContact CZ2-CZ 4.47Å; W145-F203 AromaticContact NE1-CZ 3.57Å; W145-M209 HydrophobicContact CD2-CE 3.43Å; W145-M209 VanDerWaalsContact CD2-CE 3.43Å; W145-M209 HydrophobicContact CE3-CE 3.49Å; W145-M209 VanDerWaalsContact CE3-CE 3.49Å; W145-M209 HydrophobicContact CG-CE 4.07Å; W145-M209 HydrophobicContact CH2-CB 3.6Å; W145-M209 HydrophobicContact CH2-CE 3.95Å; W145-M209 HydrophobicContact CH2-CG 4.3Å; W145-M209 HydrophobicContact CZ2-CB 3.97Å; W145-M209 HydrophobicContact CZ2-CE 3.85Å; W145-M209 HydrophobicContact CZ3-CB 4.16Å; W145-M209 HydrophobicContact CZ3-CE 3.75Å; W145-M209 HydrophobicContact CZ3-CG 4.38Å; W145-F221 HydrophobicContact CD2-CB 4.27Å; W145-F221 AromaticContact CD2-CD1 3.86Å; W145-F221 HydrophobicContact CD2-CD1 3.86Å; W145-F221 HydrophobicContact CD2-CG 4.38Å; W145-F221 AromaticContact CE2-CD1 3.6Å; W145-F221 HydrophobicContact CE3-CB 3.78Å; W145-F221 HydrophobicContact CE3-CD1 4.18Å; W145-F221 HydrophobicContact CE3-CG 4.37Å; W145-F221 HydrophobicContact CG-CD1 4.39Å; W145-F221 HydrophobicContact CH2-CB 4.18Å; W145-F221 AromaticContact CH2-CD1 3.99Å; W145-F221 HydrophobicContact CH2-CD1 3.99Å; W145-F221 AromaticContact CZ2-CD1 3.7Å; W145-F221 HydrophobicContact CZ2-CD1 3.7Å; W145-F221 HydrophobicContact CZ2-CE1 4.43Å; W145-F221 HydrophobicContact CZ3-CB 3.73Å; W145-F221 HydrophobicContact CZ3-CD1 4.24Å; W145-F221 HydrophobicContact CZ3-CG 4.49Å; W145-K222 WeakPolarHBondContact CZ3-O 3.47Å
146I92.6Very high90.1Very high1 Ų138.2 Ų38.21%0.00521%0.212CC..SBendtrans-96.7109.1176.9-63.6162.7000108.8L120 C142 E148 V149 I166 T184 I186 V199L120-I146 HydrophobicContact CB-CD1 3.96Å; L120-I146 HydrophobicContact CD1-CD1 3.59Å; L120-I146 HydrophobicContact CG-CD1 4.34Å; C142-I146 HydrophobicContact CB-CD1 4.32Å; C142-I146 WeakPolarHBondContact O-CD1 3.43Å; C142-I146 WeakPolarHBondContact O-CG1 3.3Å; C142-I146 PolarHBondContact O-N 3.07Å; I146-E148 PolarHBondContact O-N 3.04Å; I146-V149 HydrophobicContact CB-CB 4.47Å; I146-V149 HydrophobicContact CB-CG2 3.95Å; I146-V149 HydrophobicContact CG2-CG2 3.79Å; I146-V149 WeakPolarHBondContact O-CB 3.15Å; I146-V149 PolarHBondContact O-N 3.4Å; I146-I166 HydrophobicContact CG2-CD1 4.22Å; I146-I166 HydrophobicContact CG2-CG1 4.3Å; I146-T184 HydrophobicContact CD1-CG2 3.57Å; I146-I186 HydrophobicContact CG1-CG2 3.9Å; I146-V199 HydrophobicContact CD1-CG2 4.3Å; I146-V199 HydrophobicContact CG1-CG2 3.97Å
147P89.5Confident89.8Confident97 Ų9734.3 Ų34.363%0.6320%0.196SC*.THydrogen-bonded Turntrans-60.8-25.6-165.1-2735.9000116W145W145-P147 WeakPolarHBondContact O-CD 3.33Å
148E93Very high89.4Confident45 Ų4535.6 Ų35.621%0.2120%0.203CC..THydrogen-bonded Turntrans-85.3-10.5-179-51.782-173.100113.2I146 K162 H165 I166 R170I146-E148 PolarHBondContact O-N 3.04Å; E148-K162 WeakPolarHBondContact O-CB 3.45Å; E148-H165 HydrophobicContact CB-CB 4.49Å; E148-I166 HydrophobicContact CB-CG1 4.22Å; E148-R170 IonicContact OE1-CZ 3.74Å; E148-R170 IonicContact OE1-NE 2.92Å; E148-R170 PolarHBondContact OE1-NE 3.46Å; E148-R170 IonicContact OE1-NH2 3.81Å; E148-R170 PolarHBondContact OE1-NH2 3.02Å; E148-R170 IonicContact OE2-CZ 2.71Å; E148-R170 IonicContact OE2-NE 2.74Å; E148-R170 PolarHBondContact OE2-NE 3.32Å; E148-R170 IonicContact OE2-NH2 3.22Å
149V92.3Very high89.2Confident8 Ų837.6 Ų37.65%0.04822%0.216CC..  trans-81.3155.6172.8-177.90000109.4L120 A143 I146 I160 V163 I166L120-V149 HydrophobicContact CD1-CG2 3.96Å; A143-V149 HydrophobicContact CB-CG1 3.75Å; I146-V149 HydrophobicContact CB-CB 4.47Å; I146-V149 HydrophobicContact CB-CG2 3.95Å; I146-V149 HydrophobicContact CG2-CG2 3.79Å; I146-V149 WeakPolarHBondContact O-CB 3.15Å; I146-V149 PolarHBondContact O-N 3.4Å; V149-I160 HydrophobicContact CG1-CG2 3.65Å; V149-V163 HydrophobicContact CG1-CG2 4.32Å; V149-V163 HydrophobicContact CG2-CG2 4.46Å; V149-I166 HydrophobicContact CG2-CD1 3.58Å; V149-I166 HydrophobicContact CG2-CG1 3.95Å
150S89.8Confident89.1Confident32 Ų3237.4 Ų37.422%0.22422%0.215CC..EExtended strand (participates in β ladder)trans-147.9151.3170.9-61.30000111.6T161 K162S150-T161 PolarHBondContact N-O 3.13Å; S150-T161 VanDerWaalsContact N-O 3.13Å; S150-T161 CarbonylContact O-C 3.55Å; S150-T161 WeakPolarHBondContact O-CA 3.46Å; S150-T161 WeakPolarHBondContact O-CB 3.33Å; S150-T161 PolarHBondContact O-N 2.9Å; S150-T161 PolarHBondContact O-OG1 3.06Å; S150-K162 WeakPolarHBondContact OG-CD 3.28Å; S150-K162 VanDerWaalsContact OG-CE 3.3Å; S150-K162 WeakPolarHBondContact OG-CE 3.34Å; S150-K162 PolarHBondContact OG-NZ 2.88Å
151I86.9Confident89.1Confident29 Ų2938.9 Ų38.915%0.14923%0.225CC..EExtended strand (participates in β ladder)trans-93.2131.6176.8-62.5-175.5000108.7V140 A143 L144 M157 I160V140-I151 HydrophobicContact CG1-CD1 4.3Å; A143-I151 HydrophobicContact CB-CG1 4.42Å; L144-I151 HydrophobicContact CD2-CD1 3.88Å; L144-I151 HydrophobicContact CG-CD1 4.32Å; I151-M157 HydrophobicContact CD1-SD 3.53Å; I151-M157 VanDerWaalsContact CD1-SD 3.53Å; I151-M157 VanDerWaalsContact CG2-C 3.44Å; I151-M157 HydrophobicContact CG2-SD 4.45Å; I151-I160 HydrophobicContact CG1-CD1 4.04Å
152G83.1Confident89.1Confident46 Ų4643.7 Ų43.747%0.47425%0.245SC..EExtended strand (participates in β ladder)trans-72.9-35.5-170.600000114.9P159G152-P159 PolarHBondContact N-O 3.01Å
153C86.9Confident89Confident36 Ų3644.7 Ų44.724%0.24325%0.251CS..EExtended strand (participates in β ladder)trans-134.6107.4169.7168.10000106.8E155 K156 M157 E158C153-E155 VanDerWaalsContact C-N 3.27Å; C153-E155 PolarHBondContact O-N 3.49Å; C153-E155 PolarHBondContact SG-OE2 3.33Å; C153-K156 HydrophobicContact CB-CB 4.43Å; C153-K156 PolarHBondContact O-N 3.47Å; C153-M157 PolarHBondContact O-N 3.36Å; C153-E158 WeakPolarHBondContact CB-O 3.17Å; C153-E158 PolarHBondContact N-O 3.16Å; C153-E158 VanDerWaalsContact N-O 3.15Å; C153-E158 PolarHBondContact O-N 2.83Å
154P79.1Confident88.9Confident86 Ų8649.8 Ų49.856%0.55829%0.287SS*.G310 helixtrans-55.7-41.3-179.8-27.536.1000112.6K156 M157P154-K156 PolarHBondContact O-N 3.4Å; P154-K156 VanDerWaalsContact O-N 3.15Å; P154-M157 PolarHBondContact O-N 2.98Å
155E79.8Confident89.1Confident90 Ų9053.2 Ų53.242%0.42130%0.301SS..G310 helixtrans-63.1-25.6-177.3-49.4100.3124.700113.1G96 L98 C153 K335G96-E155 WeakPolarHBondContact CA-O 3.46Å; L98-E155 HydrophobicContact CD2-CB 4.24Å; L98-E155 VanDerWaalsContact CD2-O 3.3Å; L98-E155 WeakPolarHBondContact CD2-O 3.37Å; C153-E155 VanDerWaalsContact C-N 3.27Å; C153-E155 PolarHBondContact O-N 3.49Å; C153-E155 PolarHBondContact SG-OE2 3.33Å; E155-K335 IonicContact OE1-NZ 3.03Å; E155-K335 PolarHBondContact OE1-NZ 2.99Å
156K83.2Confident89.1Confident107 Ų10752.6 Ų52.647%0.46530%0.299SS..G310 helixtrans-105.8-0.1176.7-65.3-177.5176.6-178.70113.2L98 K129 C153 P154 E158L98-K156 HydrophobicContact CD1-CD 4.41Å; L98-K156 HydrophobicContact CD1-CG 3.99Å; L98-K156 HydrophobicContact CD2-CG 4.5Å; L98-K156 HydrophobicContact CG-CG 4.36Å; K129-K156 PolarHBondContact NZ-O 2.88Å; C153-K156 HydrophobicContact CB-CB 4.43Å; C153-K156 PolarHBondContact O-N 3.47Å; P154-K156 PolarHBondContact O-N 3.4Å; P154-K156 VanDerWaalsContact O-N 3.15Å; K156-E158 HydrophobicContact CB-CG 4.11Å; K156-E158 PolarHBondContact O-N 3.34Å
157M85.7Confident89.2Confident31 Ų3154.9 Ų54.915%0.15331%0.314CS..THydrogen-bonded Turntrans46.326.6-170.5-67.7-67.7-177.900114.5A93 V140 I151 C153 P154A93-M157 WeakPolarHBondContact O-CE 3.42Å; V140-M157 HydrophobicContact CG1-CB 4.35Å; V140-M157 HydrophobicContact CG1-CG 4.44Å; V140-M157 HydrophobicContact CG1-SD 4.22Å; I151-M157 HydrophobicContact CD1-SD 3.53Å; I151-M157 VanDerWaalsContact CD1-SD 3.53Å; I151-M157 VanDerWaalsContact CG2-C 3.44Å; I151-M157 HydrophobicContact CG2-SD 4.45Å; C153-M157 PolarHBondContact O-N 3.36Å; P154-M157 PolarHBondContact O-N 2.98Å
158E87.8Confident89.4Confident50 Ų5054.2 Ų54.223%0.23432%0.317CS..EExtended strand (participates in β ladder)trans-155.7160.9-175.177.5-179.2-125.600113.1K129 C153 K156K129-E158 HydrophobicContact CD-CB 4.19Å; K129-E158 WeakPolarHBondContact CD-OE2 3.16Å; K129-E158 WeakPolarHBondContact CE-OE2 3.43Å; K129-E158 HydrophobicContact CG-CB 4.5Å; K129-E158 IonicContact NZ-OE2 2.68Å; K129-E158 PolarHBondContact NZ-OE2 3.05Å; C153-E158 WeakPolarHBondContact CB-O 3.17Å; C153-E158 PolarHBondContact N-O 3.16Å; C153-E158 VanDerWaalsContact N-O 3.15Å; C153-E158 PolarHBondContact O-N 2.83Å; K156-E158 HydrophobicContact CB-CG 4.11Å; K156-E158 PolarHBondContact O-N 3.34Å
159P92.8Very high89.5Confident42 Ų4255.9 Ų55.927%0.27333%0.333SS..EExtended strand (participates in β ladder)cis-73166.4-14.133.7-36.1000111.5R132 G152 T161R132-P159 HydrophobicContact CB-CB 4.47Å; R132-P159 HydrophobicContact CB-CG 4.28Å; R132-P159 HydrophobicContact CG-CG 4.22Å; G152-P159 PolarHBondContact N-O 3.01Å; P159-T161 HydrophobicContact CG-CG2 4.26Å
160I93.3Very high89.5Confident1 Ų157.6 Ų57.61%0.00534%0.339CS..EExtended strand (participates in β ladder)trans-77.6132.5171.4-50-53.1000109.6K129 P130 T131 R132 V138 A143 V149 I151 V163K129-I160 HydrophobicContact CB-CD1 4.14Å; K129-I160 HydrophobicContact CB-CG1 4.05Å; P130-I160 PolarHBondContact O-N 3.37Å; T131-I160 CarbonylContact C-O 3.29Å; T131-I160 VanDerWaalsContact CA-O 3.23Å; T131-I160 WeakPolarHBondContact CA-O 3.34Å; T131-I160 HydrophobicContact CG2-CB 4.37Å; R132-I160 PolarHBondContact N-O 2.87Å; V138-I160 HydrophobicContact CB-CB 4.5Å; V138-I160 HydrophobicContact CB-CG1 4.27Å; V138-I160 HydrophobicContact CB-CG2 4.16Å; V138-I160 HydrophobicContact CG1-CG2 4.36Å; V138-I160 HydrophobicContact CG2-CG2 4.21Å; A143-I160 HydrophobicContact CB-CD1 3.79Å; A143-I160 HydrophobicContact CB-CG1 4.38Å; A143-I160 HydrophobicContact CB-CG2 3.89Å; V149-I160 HydrophobicContact CG1-CG2 3.65Å; I151-I160 HydrophobicContact CG1-CD1 4.04Å; I160-V163 HydrophobicContact CG2-CG2 3.9Å
161T93.1Very high89.7Confident32 Ų3260.2 Ų60.220%0.19634%0.344CS..EExtended strand (participates in β ladder)trans-132.7175.5-171.573.90000111.7S150 P159 V163S150-T161 PolarHBondContact N-O 3.13Å; S150-T161 VanDerWaalsContact N-O 3.13Å; S150-T161 CarbonylContact O-C 3.55Å; S150-T161 WeakPolarHBondContact O-CA 3.46Å; S150-T161 WeakPolarHBondContact O-CB 3.33Å; S150-T161 PolarHBondContact O-N 2.9Å; S150-T161 PolarHBondContact O-OG1 3.06Å; P159-T161 HydrophobicContact CG-CG2 4.26Å; T161-V163 PolarHBondContact O-N 3.01Å
162K91.7Very high90Very high104 Ų10462.1 Ų62.145%0.45236%0.364SS..  trans53.19.2-177.8-55.2-171.4-160.7154.10117.2E148 S150 S164 H165E148-K162 WeakPolarHBondContact O-CB 3.45Å; S150-K162 WeakPolarHBondContact OG-CD 3.28Å; S150-K162 VanDerWaalsContact OG-CE 3.3Å; S150-K162 WeakPolarHBondContact OG-CE 3.34Å; S150-K162 PolarHBondContact OG-NZ 2.88Å; K162-S164 PolarHBondContact O-N 2.95Å; K162-H165 HydrophobicContact CB-CB 4.37Å; K162-H165 WeakPolarHBondContact O-CA 3.16Å; K162-H165 VanDerWaalsContact O-CB 3.26Å; K162-H165 WeakPolarHBondContact O-CB 3.27Å; K162-H165 PolarHBondContact O-N 3.32Å
163V92.9Very high90.5Very high21 Ų2161.9 Ų61.913%0.12735%0.352CS..G310 helixtrans-53.5-25.3176179.60000113.6L119 L120 T131 V149 I160 T161 H165 I166L119-V163 HydrophobicContact CD2-CG1 3.71Å; L120-V163 HydrophobicContact CD2-CG1 4.02Å; T131-V163 HydrophobicContact CG2-CG2 4.33Å; V149-V163 HydrophobicContact CG1-CG2 4.32Å; V149-V163 HydrophobicContact CG2-CG2 4.46Å; I160-V163 HydrophobicContact CG2-CG2 3.9Å; T161-V163 PolarHBondContact O-N 3.01Å; V163-H165 VanDerWaalsContact C-N 3.33Å; V163-I166 HydrophobicContact CG1-CD1 4.11Å; V163-I166 WeakPolarHBondContact O-CD1 3.34Å; V163-I166 WeakPolarHBondContact O-CG1 3.3Å
164S91.9Very high90.9Very high112 Ų11262.4 Ų62.478%0.78336%0.356SS*.G310 helixtrans-78.7-6.1173.251.90000115.3K162K162-S164 PolarHBondContact O-N 2.95Å
165H92.9Very high91.8Very high126 Ų12658.3 Ų58.358%0.58333%0.329SS*.G310 helixtrans-92.3-10.6176.8-63.3-130.2000111.9E148 K162 V163 P167E148-H165 HydrophobicContact CB-CB 4.49Å; K162-H165 HydrophobicContact CB-CB 4.37Å; K162-H165 WeakPolarHBondContact O-CA 3.16Å; K162-H165 VanDerWaalsContact O-CB 3.26Å; K162-H165 WeakPolarHBondContact O-CB 3.27Å; K162-H165 PolarHBondContact O-N 3.32Å; V163-H165 VanDerWaalsContact C-N 3.33Å; H165-P167 WeakPolarHBondContact O-CD 3.29Å
166I93.4Very high92.5Very high8 Ų856.9 Ų56.94%0.04133%0.329CS..SBendtrans-63116.4176.1-55.2173.4000108.4L120 I146 E148 V149 V163 R170 W171 T184L120-I166 HydrophobicContact CD1-CD1 4.29Å; L120-I166 HydrophobicContact CD2-CD1 3.91Å; I146-I166 HydrophobicContact CG2-CD1 4.22Å; I146-I166 HydrophobicContact CG2-CG1 4.3Å; E148-I166 HydrophobicContact CB-CG1 4.22Å; V149-I166 HydrophobicContact CG2-CD1 3.58Å; V149-I166 HydrophobicContact CG2-CG1 3.95Å; V163-I166 HydrophobicContact CG1-CD1 4.11Å; V163-I166 WeakPolarHBondContact O-CD1 3.34Å; V163-I166 WeakPolarHBondContact O-CG1 3.3Å; I166-R170 HydrophobicContact CG2-CB 4.13Å; I166-W171 HydrophobicContact CB-CZ2 4.21Å; I166-W171 HydrophobicContact CD1-CZ2 3.91Å; I166-W171 HydrophobicContact CG2-CZ2 4.35Å; I166-W171 PolarHBondContact O-NE1 2.99Å; I166-W171 VanDerWaalsContact O-NE1 3.11Å; I166-T184 HydrophobicContact CD1-CG2 4.24Å; I166-T184 HydrophobicContact CG2-CG2 4.41Å
167P94.6Very high93Very high50 Ų5053.5 Ų53.533%0.32532%0.316SS..  trans-69.2147.5-171.127.8-35.6000111.7H165 S169 R170H165-P167 WeakPolarHBondContact O-CD 3.29Å; P167-S169 PolarHBondContact O-N 3.2Å; P167-R170 HydrophobicContact CG-CG 4.2Å; P167-R170 PolarHBondContact O-N 2.85Å
168A94.2Very high93.4Very high83 Ų8354.1 Ų54.169%0.68632%0.323SS*.Hα-helixtrans-53.1-28.3-177.600000113.9R170 W171 A172A168-R170 PolarHBondContact O-N 2.94Å; A168-W171 PolarHBondContact O-N 2.84Å; A168-A172 PolarHBondContact O-N 2.77Å
169S93.3Very high93.6Very high80 Ų8061.8 Ų61.856%0.55935%0.35SS*.Hα-helixtrans-58.4-40.917449.40000113.4P167 A172 L173P167-S169 PolarHBondContact O-N 3.2Å; S169-A172 PolarHBondContact O-N 2.89Å; S169-L173 PolarHBondContact O-N 3.42Å
170R92.9Very high93.6Very high43 Ų4363.7 Ų63.716%0.16236%0.355CS..Hα-helixtrans-71.8-32.6179.5-67.4-168.2-173.8-74.8-0113.4E148 I166 P167 A168 A172 L173 T184 C185E148-R170 IonicContact OE1-CZ 3.74Å; E148-R170 IonicContact OE1-NE 2.92Å; E148-R170 PolarHBondContact OE1-NE 3.46Å; E148-R170 IonicContact OE1-NH2 3.81Å; E148-R170 PolarHBondContact OE1-NH2 3.02Å; E148-R170 IonicContact OE2-CZ 2.71Å; E148-R170 IonicContact OE2-NE 2.74Å; E148-R170 PolarHBondContact OE2-NE 3.32Å; E148-R170 IonicContact OE2-NH2 3.22Å; I166-R170 HydrophobicContact CG2-CB 4.13Å; P167-R170 HydrophobicContact CG-CG 4.2Å; P167-R170 PolarHBondContact O-N 2.85Å; A168-R170 PolarHBondContact O-N 2.94Å; R170-A172 VanDerWaalsContact C-N 3.26Å; R170-A172 PolarHBondContact O-N 3.49Å; R170-L173 PolarHBondContact O-N 3.1Å; R170-T184 WeakPolarHBondContact CB-OG1 3.36Å; R170-C185 PolarHBondContact O-N 2.88Å
171W93.5Very high93.4Very high87 Ų8769.1 Ų69.133%0.3338%0.38SS..Hα-helixtrans-70.2-22174-61.896.3000112.6L119 L120 I166 A168L119-W171 HydrophobicContact CD2-CH2 4.45Å; L119-W171 HydrophobicContact CG-CH2 4.37Å; L120-W171 HydrophobicContact CD2-CH2 3.56Å; L120-W171 HydrophobicContact CD2-CZ2 4.25Å; L120-W171 HydrophobicContact CD2-CZ3 4.25Å; I166-W171 HydrophobicContact CB-CZ2 4.21Å; I166-W171 HydrophobicContact CD1-CZ2 3.91Å; I166-W171 HydrophobicContact CG2-CZ2 4.35Å; I166-W171 PolarHBondContact O-NE1 2.99Å; I166-W171 VanDerWaalsContact O-NE1 3.11Å; A168-W171 PolarHBondContact O-N 2.84Å
172A93.4Very high93.2Very high69 Ų6971.2 Ų71.257%0.5739%0.393SS*.Hα-helixtrans-82.5-19.8176.200000113.4A168 S169 R170 H181A168-A172 PolarHBondContact O-N 2.77Å; S169-A172 PolarHBondContact O-N 2.89Å; R170-A172 VanDerWaalsContact C-N 3.26Å; R170-A172 PolarHBondContact O-N 3.49Å; A172-H181 PolarHBondContact O-ND1 2.94Å; A172-H181 VanDerWaalsContact O-ND1 3.16Å
173L94.8Very high93.3Very high41 Ų4166.7 Ų66.722%0.21538%0.376CS..PPolyproline II helixtrans-62.9138-179.5-64.7174.4000111.5S169 R170 C185 Q187 A196S169-L173 PolarHBondContact O-N 3.42Å; R170-L173 PolarHBondContact O-N 3.1Å; L173-C185 HydrophobicContact CB-CB 3.78Å; L173-C185 HydrophobicContact CD1-CB 3.93Å; L173-Q187 HydrophobicContact CD1-CG 3.9Å; L173-A196 HydrophobicContact CB-CB 4.07Å; L173-A196 HydrophobicContact CD1-CB 3.93Å; L173-A196 HydrophobicContact CD2-CB 4.26Å; L173-A196 HydrophobicContact CG-CB 4.3Å
174S95.6Very high93.3Very high47 Ų4765.8 Ų65.833%0.32937%0.37SS..PPolyproline II helixtrans-88.7137.5166.5-162.60000109.4S176 H181S174-S176 PolarHBondContact O-N 3.08Å; S174-H181 VanDerWaalsContact CB-CE1 3.5Å; S174-H181 WeakPolarHBondContact CB-CE1 3.36Å
175C96.5Very high93.5Very high0 Ų060.4 Ų60.40%033%0.333CS..PPolyproline II helixtrans-75.4121.3172.1172.40000110.1L177 C178 R179 E180 A196 F197 H198C175-L177 PolarHBondContact O-N 2.83Å; C175-C178 VanDerWaalsContact SG-SG 3.65Å; C175-R179 WeakPolarHBondContact O-CA 3.49Å; C175-R179 PolarHBondContact O-N 3.16Å; C175-E180 PolarHBondContact N-O 2.85Å; C175-A196 WeakPolarHBondContact CA-O 3.07Å; C175-F197 VanDerWaalsContact SG-CA 3.59Å; C175-H198 VanDerWaalsContact CB-ND1 3.29Å; C175-H198 WeakPolarHBondContact CB-ND1 3.47Å; C175-H198 PolarHBondContact SG-N 3.5Å; C175-H198 VanDerWaalsContact SG-N 3.42Å
176S95.4Very high93.6Very high60 Ų6054.8 Ų54.842%0.4231%0.307SS..THydrogen-bonded Turntrans-58.8-32.1-179.558.80000113.8S174 A196S174-S176 PolarHBondContact O-N 3.08Å; S176-A196 PolarHBondContact N-O 3.47Å; S176-A196 PolarHBondContact OG-O 3.39Å
177L94.1Very high93.7Very high36 Ų3658 Ų5819%0.18832%0.322CS..THydrogen-bonded Turntrans-76.2-55.7-176.2-54.7172.7000112.2C175 F197 C201 H205 L207C175-L177 PolarHBondContact O-N 2.83Å; L177-F197 HydrophobicContact CD1-CB 3.98Å; L177-F197 HydrophobicContact CG-CB 4.29Å; L177-C201 HydrophobicContact CB-CB 4.2Å; L177-C201 HydrophobicContact CD1-CB 3.81Å; L177-C201 WeakPolarHBondContact CD1-O 3.45Å; L177-H205 HydrophobicContact CD1-CB 4.17Å; L177-H205 HydrophobicContact CD2-CB 4.48Å; L177-L207 HydrophobicContact CD1-CD1 4.06Å
178C93.6Very high93.8Very high45 Ų4556 Ų5630%0.30431%0.309SS..THydrogen-bonded Turntrans-95.3-9.5-178.470.60000114.9C175 E180 H198C175-C178 VanDerWaalsContact SG-SG 3.65Å; C178-E180 PolarHBondContact O-N 2.84Å; C178-H198 PolarHBondContact SG-ND1 3.28Å
179R92.8Very high93.7Very high211 Ų21154.4 Ų54.480%0.79629%0.293SS*.  trans60.217.6-179.4-53-177.9-177.4-176.10.4115.2C175C175-R179 WeakPolarHBondContact O-CA 3.49Å; C175-R179 PolarHBondContact O-N 3.16Å
180E90.9Very high93.7Very high82 Ų8252.2 Ų52.238%0.38328%0.276SS..  trans-97.8152.8173-68.2-170.3-14500112.4C175 C178 T182C175-E180 PolarHBondContact N-O 2.85Å; C178-E180 PolarHBondContact O-N 2.84Å; E180-T182 WeakPolarHBondContact OE2-CB 3.32Å; E180-T182 PolarHBondContact OE2-OG1 3.48Å
181H89.4Confident93.7Very high114 Ų11455.5 Ų55.553%0.52830%0.303SS..  trans-9716.9166-58.7-101.7000111.9A172 S174 G183A172-H181 PolarHBondContact O-ND1 2.94Å; A172-H181 VanDerWaalsContact O-ND1 3.16Å; S174-H181 VanDerWaalsContact CB-CE1 3.5Å; S174-H181 WeakPolarHBondContact CB-CE1 3.36Å; H181-G183 PolarHBondContact O-N 3.46Å
182T90Very high93.5Very high77 Ų7757.6 Ų57.647%0.47233%0.331SS..SBendtrans-84.575.3-170.4-50.40000112C121 P122 E180 H198C121-T182 CarbonylContact C-O 3.54Å; C121-T182 WeakPolarHBondContact CA-O 3.44Å; P122-T182 HydrophobicContact CB-CG2 4.24Å; P122-T182 WeakPolarHBondContact CD-O 3.32Å; E180-T182 WeakPolarHBondContact OE2-CB 3.32Å; E180-T182 PolarHBondContact OE2-OG1 3.48Å; T182-H198 PolarHBondContact O-NE2 3Å
183G92.6Very high93.5Very high9 Ų955.3 Ų55.39%0.09331%0.31CS..SBendtrans140.4-139.4-179.900000111L120 H181L120-G183 WeakPolarHBondContact O-CA 3.26Å; H181-G183 PolarHBondContact O-N 3.46Å
184T94.4Very high93.5Very high1 Ų160 Ų601%0.00633%0.334CS..  trans-140.5137.4176.4179.90000109.8L120 I146 I166 R170 H198L120-T184 HydrophobicContact CB-CG2 3.93Å; L120-T184 HydrophobicContact CD2-CG2 3.92Å; L120-T184 HydrophobicContact CG-CG2 4.32Å; L120-T184 PolarHBondContact O-N 2.84Å; I146-T184 HydrophobicContact CD1-CG2 3.57Å; I166-T184 HydrophobicContact CD1-CG2 4.24Å; I166-T184 HydrophobicContact CG2-CG2 4.41Å; R170-T184 WeakPolarHBondContact CB-OG1 3.36Å; T184-H198 PolarHBondContact O-CD2 3.39Å
185C95.9Very high93.5Very high0 Ų059.7 Ų59.70%033%0.331CS..  trans-96.5146.2-178.1-65.80000112.8R170 L173 A196 F197R170-C185 PolarHBondContact O-N 2.88Å; L173-C185 HydrophobicContact CB-CB 3.78Å; L173-C185 HydrophobicContact CD1-CB 3.93Å; C185-A196 HydrophobicContact CB-CB 3.88Å; C185-F197 WeakPolarHBondContact CA-O 3.39Å; C185-F197 WeakPolarHBondContact CB-O 3.3Å
186I95.1Very high93.5Very high8 Ų860.1 Ų60.14%0.04133%0.334CS..EExtended strand (participates in β ladder)trans-86.6169.6155.358.3167.9000109W145 I146 A196 F197 V199W145-I186 HydrophobicContact CE3-CD1 4.41Å; W145-I186 WeakPolarHBondContact O-CG2 3.47Å; I146-I186 HydrophobicContact CG1-CG2 3.9Å; I186-A196 CarbonylContact O-C 3.57Å; I186-A196 VanDerWaalsContact O-CA 3.28Å; I186-A196 WeakPolarHBondContact O-CA 3.47Å; I186-F197 HydrophobicContact CD1-CD2 4.04Å; I186-F197 HydrophobicContact CD1-CE2 3.72Å; I186-F197 HydrophobicContact CG1-CD2 3.71Å; I186-F197 HydrophobicContact CG1-CE2 3.75Å; I186-F197 VanDerWaalsContact CG1-O 3.3Å; I186-F197 WeakPolarHBondContact CG1-O 3.44Å; I186-F197 PolarHBondContact N-O 2.91Å; I186-F197 PolarHBondContact O-N 3.27Å; I186-V199 HydrophobicContact CD1-CG2 4.02Å; I186-V199 HydrophobicContact CG1-CG2 4.2Å; I186-V199 HydrophobicContact CG2-CG2 4Å
187Q95.3Very high93.5Very high74 Ų7457.2 Ų57.235%0.34631%0.314SS..EExtended strand (participates in β ladder)trans-128.8155.7-178.7-67.7-177.6-86.100110.8L173 S189 I194 V195 A196 S223L173-Q187 HydrophobicContact CD1-CG 3.9Å; Q187-S189 PolarHBondContact O-N 2.96Å; Q187-I194 PolarHBondContact NE2-O 2.93Å; Q187-I194 VanDerWaalsContact NE2-O 3.08Å; Q187-V195 WeakPolarHBondContact CA-O 3.42Å; Q187-A196 HydrophobicContact CG-CB 3.95Å; Q187-S223 PolarHBondContact O-OG 3.46Å
188C95.3Very high93.7Very high9 Ų955.5 Ų55.56%0.06131%0.305CS..  trans-53.9132.1175.2-169.50000111.2T190 C193 V195 S223 C225C188-T190 PolarHBondContact O-N 3.45Å; C188-C193 HydrophobicContact CB-CB 3.85Å; C188-C193 WeakPolarHBondContact CB-SG 3.49Å; C188-V195 PolarHBondContact N-O 3.29Å; C188-S223 CarbonylContact C-O 3.5Å; C188-S223 VanDerWaalsContact CA-O 3.32Å; C188-S223 WeakPolarHBondContact CA-O 3.36Å; C188-C225 HydrophobicContact CB-CB 4.35Å; C188-C225 PolarHBondContact SG-N 2.8Å
189S93.6Very high93.7Very high49 Ų4953.4 Ų53.434%0.34329%0.291SS..SBendtrans-79.92.1-178.1-52.70000114.2Q187 K222 S223Q187-S189 PolarHBondContact O-N 2.96Å; S189-K222 WeakPolarHBondContact OG-CA 3.39Å; S189-S223 PolarHBondContact N-O 2.99Å; S189-S223 PolarHBondContact OG-N 3.04Å; S189-S223 PolarHBondContact OG-O 2.77Å
190T93Very high93.7Very high34 Ų3443.7 Ų43.721%0.20925%0.254CS..SBendtrans-75.7127.8174.2-56.40000109.3C188 S192 C193 F224 H228C188-T190 PolarHBondContact O-N 3.45Å; T190-S192 PolarHBondContact O-N 3.11Å; T190-C193 WeakPolarHBondContact O-CB 3.42Å; T190-C193 PolarHBondContact O-N 3.03Å; T190-F224 WeakPolarHBondContact OG1-CD1 3.3Å; T190-H228 WeakPolarHBondContact OG1-CB 3.35Å
191P91.5Very high93.9Very high113 Ų11340.4 Ų40.473%0.73424%0.241SC*.THydrogen-bonded Turntrans-51.7140.5175.7-27.535.4000112.4C193P191-C193 PolarHBondContact O-N 2.93Å; P191-C193 VanDerWaalsContact O-N 3.14Å
192S90Very high94.1Very high130 Ų13035 Ų3591%0.90922%0.216SC*.THydrogen-bonded Turntrans64.7-7.6-173.176.40000117.5T190 I194T190-S192 PolarHBondContact O-N 3.11Å; S192-I194 PolarHBondContact O-N 3.34Å
193C94.4Very high94Very high21 Ų2132.9 Ų32.914%0.14220%0.2CC..  trans-76.7126.5173.8-169.40000111.2C188 T190 P191 H228C188-C193 HydrophobicContact CB-CB 3.85Å; C188-C193 WeakPolarHBondContact CB-SG 3.49Å; T190-C193 WeakPolarHBondContact O-CB 3.42Å; T190-C193 PolarHBondContact O-N 3.03Å; P191-C193 PolarHBondContact O-N 2.93Å; P191-C193 VanDerWaalsContact O-N 3.14Å; C193-H228 VanDerWaalsContact SG-CE1 3.58Å; C193-H228 PolarHBondContact SG-ND1 3.5Å; C193-H228 VanDerWaalsContact SG-ND1 3.42Å
194I93.6Very high93.7Very high139 Ų13934.9 Ų34.971%0.71321%0.208SC*.  trans-100.3-4.617962.6171.1000114Q187 S192 A196Q187-I194 PolarHBondContact NE2-O 2.93Å; Q187-I194 VanDerWaalsContact NE2-O 3.08Å; S192-I194 PolarHBondContact O-N 3.34Å; I194-A196 PolarHBondContact O-N 3.01Å
195V95.8Very high93.4Very high42 Ų4238.7 Ų38.726%0.25523%0.226SC..  trans-58.7125.6-173.5179.50000110.4Q187 C188 F197 C225Q187-V195 WeakPolarHBondContact CA-O 3.42Å; C188-V195 PolarHBondContact N-O 3.29Å; V195-F197 HydrophobicContact CG1-CD1 4.27Å; V195-F197 HydrophobicContact CG1-CE1 4.47Å; V195-C225 HydrophobicContact CB-CB 3.99Å; V195-C225 HydrophobicContact CG1-CB 3.71Å; V195-C225 HydrophobicContact CG2-CB 4.49Å
196A96.1Very high92.9Very high8 Ų841.9 Ų41.97%0.06626%0.258CS..EExtended strand (participates in β ladder)trans-117143.1-172.600000111.9L173 C175 S176 C185 I186 Q187 I194L173-A196 HydrophobicContact CB-CB 4.07Å; L173-A196 HydrophobicContact CD1-CB 3.93Å; L173-A196 HydrophobicContact CD2-CB 4.26Å; L173-A196 HydrophobicContact CG-CB 4.3Å; C175-A196 WeakPolarHBondContact CA-O 3.07Å; S176-A196 PolarHBondContact N-O 3.47Å; S176-A196 PolarHBondContact OG-O 3.39Å; C185-A196 HydrophobicContact CB-CB 3.88Å; I186-A196 CarbonylContact O-C 3.57Å; I186-A196 VanDerWaalsContact O-CA 3.28Å; I186-A196 WeakPolarHBondContact O-CA 3.47Å; Q187-A196 HydrophobicContact CG-CB 3.95Å; I194-A196 PolarHBondContact O-N 3.01Å
197F97.2Very high92.6Very high0 Ų042 Ų420%026%0.259CS..EExtended strand (participates in β ladder)trans-153.5154.8178.539.6-103.3000113.2C175 L177 C185 I186 V195 A202 L207 C225C175-F197 VanDerWaalsContact SG-CA 3.59Å; L177-F197 HydrophobicContact CD1-CB 3.98Å; L177-F197 HydrophobicContact CG-CB 4.29Å; C185-F197 WeakPolarHBondContact CA-O 3.39Å; C185-F197 WeakPolarHBondContact CB-O 3.3Å; I186-F197 HydrophobicContact CD1-CD2 4.04Å; I186-F197 HydrophobicContact CD1-CE2 3.72Å; I186-F197 HydrophobicContact CG1-CD2 3.71Å; I186-F197 HydrophobicContact CG1-CE2 3.75Å; I186-F197 VanDerWaalsContact CG1-O 3.3Å; I186-F197 WeakPolarHBondContact CG1-O 3.44Å; I186-F197 PolarHBondContact N-O 2.91Å; I186-F197 PolarHBondContact O-N 3.27Å; V195-F197 HydrophobicContact CG1-CD1 4.27Å; V195-F197 HydrophobicContact CG1-CE1 4.47Å; F197-A202 HydrophobicContact CD2-CB 3.65Å; F197-A202 HydrophobicContact CE2-CB 3.86Å; F197-A202 HydrophobicContact CG-CB 4.45Å; F197-L207 HydrophobicContact CD1-CD1 3.88Å; F197-L207 HydrophobicContact CD2-CD1 4.22Å; F197-L207 HydrophobicContact CE1-CD1 3.75Å; F197-L207 HydrophobicContact CE2-CD1 4.08Å; F197-L207 HydrophobicContact CG-CD1 4.11Å; F197-L207 HydrophobicContact CZ-CD1 3.84Å; F197-C225 HydrophobicContact CE1-CB 4.05Å
198H96.9Very high92.1Very high0 Ų040.1 Ų40.10%025%0.25CS..  trans-69.4141.7167.9-61.7115.3000110.2C121 C175 C178 T182 T184 T200 C201 A202C121-H198 HydrophobicContact CB-CB 4Å; C175-H198 VanDerWaalsContact CB-ND1 3.29Å; C175-H198 WeakPolarHBondContact CB-ND1 3.47Å; C175-H198 PolarHBondContact SG-N 3.5Å; C175-H198 VanDerWaalsContact SG-N 3.42Å; C178-H198 PolarHBondContact SG-ND1 3.28Å; T182-H198 PolarHBondContact O-NE2 3Å; T184-H198 PolarHBondContact O-CD2 3.39Å; H198-T200 VanDerWaalsContact C-N 3.31Å; H198-T200 PolarHBondContact O-N 3Å; H198-C201 HydrophobicContact CB-CB 4.11Å; H198-C201 PolarHBondContact O-N 3.31Å; H198-A202 PolarHBondContact O-N 3.13Å
199V94.3Very high91.6Very high1 Ų141.3 Ų41.31%0.00626%0.256CS..Hα-helixtrans-50-49176.6179.20000112W145 I146 I186 C201 A202 F203 M209W145-V199 HydrophobicContact CB-CB 4.32Å; W145-V199 HydrophobicContact CB-CG1 3.65Å; W145-V199 HydrophobicContact CB-CG2 3.65Å; W145-V199 HydrophobicContact CG-CG1 3.87Å; I146-V199 HydrophobicContact CD1-CG2 4.3Å; I146-V199 HydrophobicContact CG1-CG2 3.97Å; I186-V199 HydrophobicContact CD1-CG2 4.02Å; I186-V199 HydrophobicContact CG1-CG2 4.2Å; I186-V199 HydrophobicContact CG2-CG2 4Å; V199-C201 PolarHBondContact O-N 3.31Å; V199-A202 WeakPolarHBondContact O-CB 3.27Å; V199-A202 PolarHBondContact O-N 3.16Å; V199-F203 HydrophobicContact CG1-CD2 4.01Å; V199-F203 HydrophobicContact CG1-CE2 3.62Å; V199-F203 VanDerWaalsContact O-CD2 3.25Å; V199-F203 WeakPolarHBondContact O-CD2 3.44Å; V199-F203 PolarHBondContact O-N 3.32Å; V199-M209 HydrophobicContact CG1-CE 4.36Å
200T93.4Very high90.9Very high6 Ų644.1 Ų44.14%0.03726%0.261CS..Hα-helixtrans-66.4-35.717951.60000112.9C121 K123 H198 A202 F203 D204C121-T200 WeakPolarHBondContact CB-OG1 3.47Å; C121-T200 PolarHBondContact SG-OG1 3.33Å; K123-T200 HydrophobicContact CB-CG2 4.28Å; K123-T200 HydrophobicContact CD-CG2 4.05Å; H198-T200 VanDerWaalsContact C-N 3.31Å; H198-T200 PolarHBondContact O-N 3Å; T200-A202 VanDerWaalsContact C-N 3.33Å; T200-F203 PolarHBondContact O-N 2.9Å; T200-D204 WeakPolarHBondContact O-CB 3.26Å; T200-D204 PolarHBondContact O-N 2.57Å
201C94.4Very high90.3Very high14 Ų1447 Ų4710%0.09528%0.279CS..Hα-helixtrans-68.1-35.8177.4-640000111.4L177 H198 V199 D204 H205L177-C201 HydrophobicContact CB-CB 4.2Å; L177-C201 HydrophobicContact CD1-CB 3.81Å; L177-C201 WeakPolarHBondContact CD1-O 3.45Å; H198-C201 HydrophobicContact CB-CB 4.11Å; H198-C201 PolarHBondContact O-N 3.31Å; V199-C201 PolarHBondContact O-N 3.31Å; C201-D204 PolarHBondContact O-N 3.14Å; C201-H205 WeakPolarHBondContact O-CB 3.3Å; C201-H205 PolarHBondContact O-N 2.86Å; C201-H205 PolarHBondContact O-ND1 2.86Å
202A92.4Very high89.6Confident0 Ų044.7 Ų44.70%026%0.26CS..Hα-helixtrans-61.3-49.3175.400000111.8F197 H198 V199 T200 H205 G206 L207 M209F197-A202 HydrophobicContact CD2-CB 3.65Å; F197-A202 HydrophobicContact CE2-CB 3.86Å; F197-A202 HydrophobicContact CG-CB 4.45Å; H198-A202 PolarHBondContact O-N 3.13Å; V199-A202 WeakPolarHBondContact O-CB 3.27Å; V199-A202 PolarHBondContact O-N 3.16Å; T200-A202 VanDerWaalsContact C-N 3.33Å; A202-H205 PolarHBondContact O-N 3.05Å; A202-G206 PolarHBondContact O-N 2.91Å; A202-G206 VanDerWaalsContact O-N 3.15Å; A202-L207 HydrophobicContact CB-CB 4.16Å; A202-L207 HydrophobicContact CB-CD1 3.8Å; A202-L207 HydrophobicContact CB-CG 4.21Å; A202-L207 PolarHBondContact O-N 3.01Å; A202-M209 HydrophobicContact CB-CE 4.4Å; A202-M209 HydrophobicContact CB-SD 3.48Å; A202-M209 WeakPolarHBondContact CB-SD 3.34Å
203F87.8Confident88.8Confident33 Ų3345 Ų4515%0.14525%0.251CS..Hα-helixtrans-58.6-47.5173.6-73.6-57.5000112.6R70 W145 V199 T200 H205 G206 M209R70-F203 HydrophobicContact CB-CD1 4.2Å; R70-F203 HydrophobicContact CB-CE1 4.29Å; R70-F203 HydrophobicContact CG-CB 4.3Å; R70-F203 HydrophobicContact CG-CD1 3.45Å; R70-F203 VanDerWaalsContact CG-CD1 3.45Å; R70-F203 HydrophobicContact CG-CE1 3.83Å; R70-F203 HydrophobicContact CG-CG 3.95Å; W145-F203 HydrophobicContact CZ2-CZ 4.47Å; W145-F203 AromaticContact NE1-CZ 3.57Å; V199-F203 HydrophobicContact CG1-CD2 4.01Å; V199-F203 HydrophobicContact CG1-CE2 3.62Å; V199-F203 VanDerWaalsContact O-CD2 3.25Å; V199-F203 WeakPolarHBondContact O-CD2 3.44Å; V199-F203 PolarHBondContact O-N 3.32Å; T200-F203 PolarHBondContact O-N 2.9Å; F203-H205 PolarHBondContact O-N 2.9Å; F203-G206 PolarHBondContact O-N 3.21Å; F203-M209 HydrophobicContact CD1-CE 4.22Å; F203-M209 HydrophobicContact CD1-SD 3.76Å; F203-M209 HydrophobicContact CD2-CE 4.21Å; F203-M209 HydrophobicContact CD2-SD 4.42Å; F203-M209 HydrophobicContact CE1-CB 4.46Å; F203-M209 HydrophobicContact CE1-CE 3.77Å; F203-M209 HydrophobicContact CE1-SD 3.8Å; F203-M209 HydrophobicContact CE2-CE 3.74Å; F203-M209 HydrophobicContact CE2-SD 4.44Å; F203-M209 HydrophobicContact CG-CE 4.44Å; F203-M209 HydrophobicContact CG-SD 4.1Å; F203-M209 HydrophobicContact CZ-CE 3.52Å; F203-M209 HydrophobicContact CZ-SD 4.16Å
204D87.8Confident87.8Confident50 Ų5044.9 Ų44.927%0.26725%0.252SS..Hα-helixtrans-69.2-17.9-176.3-61.4-17.7000113R70 K123 T200 C201 R247R70-D204 IonicContact NH2-OD1 2.69Å; R70-D204 PolarHBondContact NH2-OD1 2.95Å; K123-D204 WeakPolarHBondContact CD-OD2 3.41Å; K123-D204 WeakPolarHBondContact CE-OD2 3.17Å; K123-D204 IonicContact NZ-OD1 3.6Å; K123-D204 PolarHBondContact NZ-OD1 2.91Å; K123-D204 IonicContact NZ-OD2 2.7Å; K123-D204 PolarHBondContact NZ-OD2 3.04Å; T200-D204 WeakPolarHBondContact O-CB 3.26Å; T200-D204 PolarHBondContact O-N 2.57Å; C201-D204 PolarHBondContact O-N 3.14Å; D204-R247 PolarHBondContact O-NE 3.16Å
205H88.1Confident86.9Confident82 Ų8248.2 Ų48.238%0.3826%0.264SS..THydrogen-bonded Turntrans-97.4-0.8172.3-70.368.9000113.7L177 C201 A202 F203L177-H205 HydrophobicContact CD1-CB 4.17Å; L177-H205 HydrophobicContact CD2-CB 4.48Å; C201-H205 WeakPolarHBondContact O-CB 3.3Å; C201-H205 PolarHBondContact O-N 2.86Å; C201-H205 PolarHBondContact O-ND1 2.86Å; A202-H205 PolarHBondContact O-N 3.05Å; F203-H205 PolarHBondContact O-N 2.9Å
206G84.7Confident85.8Confident66 Ų6650.7 Ų50.768%0.6828%0.276SS*.THydrogen-bonded Turntrans67.633.1-179.400000114.2A202 F203A202-G206 PolarHBondContact O-N 2.91Å; A202-G206 VanDerWaalsContact O-N 3.15Å; F203-G206 PolarHBondContact O-N 3.21Å
207L89.1Confident84.6Confident12 Ų1257.6 Ų57.66%0.06331%0.312CS..  trans-65.8146.3176-65.8-167.7000111.6L177 F197 A202 M209 L226L177-L207 HydrophobicContact CD1-CD1 4.06Å; F197-L207 HydrophobicContact CD1-CD1 3.88Å; F197-L207 HydrophobicContact CD2-CD1 4.22Å; F197-L207 HydrophobicContact CE1-CD1 3.75Å; F197-L207 HydrophobicContact CE2-CD1 4.08Å; F197-L207 HydrophobicContact CG-CD1 4.11Å; F197-L207 HydrophobicContact CZ-CD1 3.84Å; A202-L207 HydrophobicContact CB-CB 4.16Å; A202-L207 HydrophobicContact CB-CD1 3.8Å; A202-L207 HydrophobicContact CB-CG 4.21Å; A202-L207 PolarHBondContact O-N 3.01Å; L207-M209 WeakPolarHBondContact O-CG 3.23Å; L207-M209 PolarHBondContact O-N 2.86Å; L207-M209 VanDerWaalsContact O-N 3.11Å; L207-L226 HydrophobicContact CD2-CD2 3.46Å; L207-L226 VanDerWaalsContact CD2-CD2 3.46Å; L207-L226 HydrophobicContact CD2-CG 3.77Å
208E85.7Confident83.5Confident33 Ų3361.6 Ų61.615%0.15433%0.331CS..  trans-63.9115176.1-174.3-169.8163.300110.2K210 S223 F224 S229 S230E208-K210 HydrophobicContact CG-CD 4.35Å; E208-K210 HydrophobicContact CG-CG 4.44Å; E208-K210 VanDerWaalsContact OE1-CD 3.31Å; E208-K210 WeakPolarHBondContact OE1-CD 3.46Å; E208-K210 WeakPolarHBondContact OE1-CE 3.49Å; E208-K210 IonicContact OE1-NZ 3.07Å; E208-K210 PolarHBondContact OE1-NZ 2.92Å; E208-S223 CarbonylContact O-C 3.55Å; E208-S223 WeakPolarHBondContact O-CA 3.37Å; E208-F224 HydrophobicContact CB-CB 4.32Å; E208-F224 HydrophobicContact CB-CD2 3.99Å; E208-F224 HydrophobicContact CG-CD2 3.82Å; E208-F224 HydrophobicContact CG-CE2 4.4Å; E208-F224 PolarHBondContact O-N 2.88Å; E208-S229 PolarHBondContact N-OG 3.03Å; E208-S229 WeakPolarHBondContact OE2-CA 3.45Å; E208-S230 PolarHBondContact OE2-N 3.39Å
209M84.6Confident82.5Confident35 Ų3565.4 Ų65.417%0.17235%0.354CS..EExtended strand (participates in β ladder)trans-133.3109.5-175.9-72.5-178.870.600108.9W145 V199 A202 F203 L207 K222W145-M209 HydrophobicContact CD2-CE 3.43Å; W145-M209 VanDerWaalsContact CD2-CE 3.43Å; W145-M209 HydrophobicContact CE3-CE 3.49Å; W145-M209 VanDerWaalsContact CE3-CE 3.49Å; W145-M209 HydrophobicContact CG-CE 4.07Å; W145-M209 HydrophobicContact CH2-CB 3.6Å; W145-M209 HydrophobicContact CH2-CE 3.95Å; W145-M209 HydrophobicContact CH2-CG 4.3Å; W145-M209 HydrophobicContact CZ2-CB 3.97Å; W145-M209 HydrophobicContact CZ2-CE 3.85Å; W145-M209 HydrophobicContact CZ3-CB 4.16Å; W145-M209 HydrophobicContact CZ3-CE 3.75Å; W145-M209 HydrophobicContact CZ3-CG 4.38Å; V199-M209 HydrophobicContact CG1-CE 4.36Å; A202-M209 HydrophobicContact CB-CE 4.4Å; A202-M209 HydrophobicContact CB-SD 3.48Å; A202-M209 WeakPolarHBondContact CB-SD 3.34Å; F203-M209 HydrophobicContact CD1-CE 4.22Å; F203-M209 HydrophobicContact CD1-SD 3.76Å; F203-M209 HydrophobicContact CD2-CE 4.21Å; F203-M209 HydrophobicContact CD2-SD 4.42Å; F203-M209 HydrophobicContact CE1-CB 4.46Å; F203-M209 HydrophobicContact CE1-CE 3.77Å; F203-M209 HydrophobicContact CE1-SD 3.8Å; F203-M209 HydrophobicContact CE2-CE 3.74Å; F203-M209 HydrophobicContact CE2-SD 4.44Å; F203-M209 HydrophobicContact CG-CE 4.44Å; F203-M209 HydrophobicContact CG-SD 4.1Å; F203-M209 HydrophobicContact CZ-CE 3.52Å; F203-M209 HydrophobicContact CZ-SD 4.16Å; L207-M209 WeakPolarHBondContact O-CG 3.23Å; L207-M209 PolarHBondContact O-N 2.86Å; L207-M209 VanDerWaalsContact O-N 3.11Å; M209-K222 CarbonylContact C-O 3.56Å; M209-K222 WeakPolarHBondContact CA-O 3.23Å
210K78.9Confident81.7Confident107 Ų10771.2 Ų71.247%0.46538%0.375SS..EExtended strand (participates in β ladder)trans-119.3130.4-173-74.3176.5172.9162.10112.3E208 I212 K222E208-K210 HydrophobicContact CG-CD 4.35Å; E208-K210 HydrophobicContact CG-CG 4.44Å; E208-K210 VanDerWaalsContact OE1-CD 3.31Å; E208-K210 WeakPolarHBondContact OE1-CD 3.46Å; E208-K210 WeakPolarHBondContact OE1-CE 3.49Å; E208-K210 IonicContact OE1-NZ 3.07Å; E208-K210 PolarHBondContact OE1-NZ 2.92Å; K210-I212 HydrophobicContact CB-CG1 4.46Å; K210-K222 PolarHBondContact N-O 3.35Å; K210-K222 PolarHBondContact O-N 2.97Å
211T79.9Confident81.3Confident95 Ų9574.6 Ų74.658%0.58339%0.39SS*.EExtended strand (participates in β ladder)trans-83129.8161.837.40000109.5F221T211-F221 HydrophobicContact CG2-CD1 3.65Å; T211-F221 HydrophobicContact CG2-CE1 3.45Å; T211-F221 VanDerWaalsContact CG2-CE1 3.45Å; T211-F221 HydrophobicContact CG2-CZ 4.31Å
212I76.3Confident81Confident64 Ų6478.2 Ų78.233%0.32840%0.404SS..EExtended strand (participates in β ladder)trans-128.3120.6-179-58.8179000108.5K210 R220 K222K210-I212 HydrophobicContact CB-CG1 4.46Å; I212-R220 PolarHBondContact N-O 3.11Å; I212-R220 PolarHBondContact O-N 2.78Å; I212-K222 HydrophobicContact CD1-CD 3.63Å; I212-K222 HydrophobicContact CD1-CG 4.08Å
213L73.8Confident81Confident136 Ų13678.4 Ų78.471%0.71241%0.405SS*.EExtended strand (participates in β ladder)trans-75123.7165.4-68.4164.4000108.4V219L213-V219 HydrophobicContact CD2-CG2 3.86Å
214A73.7Confident81.3Confident20 Ų2078.2 Ų78.217%0.16541%0.405CS..  trans-88.3162.817100000111.1N216 D217 E218A214-N216 WeakPolarHBondContact CB-OD1 3.47Å; A214-N216 PolarHBondContact O-N 3.02Å; A214-D217 PolarHBondContact O-N 2.95Å; A214-E218 HydrophobicContact CB-CB 4.37Å; A214-E218 PolarHBondContact N-O 3.05Å
215E73.9Confident81.6Confident209 Ų20976 Ų7698%0.97739%0.393SS*.THydrogen-bonded Turntrans-59.8-8.4-176.2-59.9173.6176.200114.8
216N73.4Confident81.6Confident94 Ų9477.7 Ų77.750%0.50340%0.404SS..THydrogen-bonded Turntrans-108.524.9178.263.2-47.4000113.1A214 E218A214-N216 WeakPolarHBondContact CB-OD1 3.47Å; A214-N216 PolarHBondContact O-N 3.02Å; N216-E218 WeakPolarHBondContact ND2-CB 3.35Å; N216-E218 PolarHBondContact ND2-OE2 3.34Å; N216-E218 PolarHBondContact O-N 3.37Å; N216-E218 VanDerWaalsContact O-N 3.11Å
217D71.3Confident81.8Confident153 Ų15380.7 Ų80.782%0.81841%0.405SS*.SBendtrans57.117.5-174.5-57.9-36.5000114.7A214A214-D217 PolarHBondContact O-N 2.95Å
218E73.5Confident81.8Confident84 Ų8483.7 Ų83.739%0.39342%0.418SS..  trans-87.3117.9-178.5-174.2-172.8-179.500111.2A214 N216 R220A214-E218 HydrophobicContact CB-CB 4.37Å; A214-E218 PolarHBondContact N-O 3.05Å; N216-E218 WeakPolarHBondContact ND2-CB 3.35Å; N216-E218 PolarHBondContact ND2-OE2 3.34Å; N216-E218 PolarHBondContact O-N 3.37Å; N216-E218 VanDerWaalsContact O-N 3.11Å; E218-R220 HydrophobicContact CG-CG 4.14Å; E218-R220 PolarHBondContact O-N 2.71Å; E218-R220 IonicContact OE1-NE 3.8Å; E218-R220 IonicContact OE2-CZ 3.23Å; E218-R220 VanDerWaalsContact OE2-CZ 3.26Å; E218-R220 IonicContact OE2-NE 2.65Å; E218-R220 PolarHBondContact OE2-NE 3.07Å; E218-R220 IonicContact OE2-NH2 3.95Å; E218-R220 PolarHBondContact OE2-NH2 2.9Å
219V74.6Confident81.5Confident80 Ų8083.9 Ų83.949%0.48542%0.423SS..EExtended strand (participates in β ladder)trans-74113173.9-175.80000109.8L213 F221L213-V219 HydrophobicContact CD2-CG2 3.86Å; V219-F221 HydrophobicContact CG1-CE2 3.92Å; V219-F221 HydrophobicContact CG1-CZ 4Å
220R77.6Confident80.2Confident122 Ų12286.3 Ų86.346%0.4644%0.444SS..EExtended strand (participates in β ladder)trans-112.1126.4178-63.7-176178.5170.23111I212 E218I212-R220 PolarHBondContact N-O 3.11Å; I212-R220 PolarHBondContact O-N 2.78Å; E218-R220 HydrophobicContact CG-CG 4.14Å; E218-R220 PolarHBondContact O-N 2.71Å; E218-R220 IonicContact OE1-NE 3.8Å; E218-R220 IonicContact OE2-CZ 3.23Å; E218-R220 VanDerWaalsContact OE2-CZ 3.26Å; E218-R220 IonicContact OE2-NE 2.65Å; E218-R220 PolarHBondContact OE2-NE 3.07Å; E218-R220 IonicContact OE2-NH2 3.95Å; E218-R220 PolarHBondContact OE2-NH2 2.9Å
221F85.8Confident78.8Confident77 Ų7784.9 Ų84.934%0.33846%0.459SS..EExtended strand (participates in β ladder)trans-91.6127.1177.5-63.3-90.9000110.1L144 W145 T211 V219L144-F221 HydrophobicContact CB-CZ 4.37Å; W145-F221 HydrophobicContact CD2-CB 4.27Å; W145-F221 AromaticContact CD2-CD1 3.86Å; W145-F221 HydrophobicContact CD2-CD1 3.86Å; W145-F221 HydrophobicContact CD2-CG 4.38Å; W145-F221 AromaticContact CE2-CD1 3.6Å; W145-F221 HydrophobicContact CE3-CB 3.78Å; W145-F221 HydrophobicContact CE3-CD1 4.18Å; W145-F221 HydrophobicContact CE3-CG 4.37Å; W145-F221 HydrophobicContact CG-CD1 4.39Å; W145-F221 HydrophobicContact CH2-CB 4.18Å; W145-F221 AromaticContact CH2-CD1 3.99Å; W145-F221 HydrophobicContact CH2-CD1 3.99Å; W145-F221 AromaticContact CZ2-CD1 3.7Å; W145-F221 HydrophobicContact CZ2-CD1 3.7Å; W145-F221 HydrophobicContact CZ2-CE1 4.43Å; W145-F221 HydrophobicContact CZ3-CB 3.73Å; W145-F221 HydrophobicContact CZ3-CD1 4.24Å; W145-F221 HydrophobicContact CZ3-CG 4.49Å; T211-F221 HydrophobicContact CG2-CD1 3.65Å; T211-F221 HydrophobicContact CG2-CE1 3.45Å; T211-F221 VanDerWaalsContact CG2-CE1 3.45Å; T211-F221 HydrophobicContact CG2-CZ 4.31Å; V219-F221 HydrophobicContact CG1-CE2 3.92Å; V219-F221 HydrophobicContact CG1-CZ 4Å
222K89.3Confident76.9Confident90 Ų9085.4 Ų85.439%0.39146%0.458SS..EExtended strand (participates in β ladder)trans-121.7138.9172.3-66.4-168.4-170.5168.80110.9W145 S189 M209 K210 I212 F224W145-K222 WeakPolarHBondContact CZ3-O 3.47Å; S189-K222 WeakPolarHBondContact OG-CA 3.39Å; M209-K222 CarbonylContact C-O 3.56Å; M209-K222 WeakPolarHBondContact CA-O 3.23Å; K210-K222 PolarHBondContact N-O 3.35Å; K210-K222 PolarHBondContact O-N 2.97Å; I212-K222 HydrophobicContact CD1-CD 3.63Å; I212-K222 HydrophobicContact CD1-CG 4.08Å; K222-F224 HydrophobicContact CB-CE2 4.12Å; K222-F224 HydrophobicContact CB-CZ 4.06Å; K222-F224 HydrophobicContact CD-CZ 4.21Å
223S90.9Very high75.2Confident5 Ų586.8 Ų86.84%0.03547%0.472CS..EExtended strand (participates in β ladder)trans-137.2137.8179.458.60000110.6Q187 C188 S189 E208Q187-S223 PolarHBondContact O-OG 3.46Å; C188-S223 CarbonylContact C-O 3.5Å; C188-S223 VanDerWaalsContact CA-O 3.32Å; C188-S223 WeakPolarHBondContact CA-O 3.36Å; S189-S223 PolarHBondContact N-O 2.99Å; S189-S223 PolarHBondContact OG-N 3.04Å; S189-S223 PolarHBondContact OG-O 2.77Å; E208-S223 CarbonylContact O-C 3.55Å; E208-S223 WeakPolarHBondContact O-CA 3.37Å
224F94.3Very high73.7Confident29 Ų2989 Ų8913%0.12748%0.478CS..  trans-117.1147.6-176.2-54.4-82.2000111.5T190 E208 K222 H228T190-F224 WeakPolarHBondContact OG1-CD1 3.3Å; E208-F224 HydrophobicContact CB-CB 4.32Å; E208-F224 HydrophobicContact CB-CD2 3.99Å; E208-F224 HydrophobicContact CG-CD2 3.82Å; E208-F224 HydrophobicContact CG-CE2 4.4Å; E208-F224 PolarHBondContact O-N 2.88Å; K222-F224 HydrophobicContact CB-CE2 4.12Å; K222-F224 HydrophobicContact CB-CZ 4.06Å; K222-F224 HydrophobicContact CD-CZ 4.21Å; F224-H228 HydrophobicContact CB-CB 4.36Å
225C93.8Very high72.2Confident4 Ų495.2 Ų95.23%0.02750%0.504CS..  trans-76.9172.5171.164.80000110.8C188 V195 F197 D227 H228 S229C188-C225 HydrophobicContact CB-CB 4.35Å; C188-C225 PolarHBondContact SG-N 2.8Å; V195-C225 HydrophobicContact CB-CB 3.99Å; V195-C225 HydrophobicContact CG1-CB 3.71Å; V195-C225 HydrophobicContact CG2-CB 4.49Å; F197-C225 HydrophobicContact CE1-CB 4.05Å; C225-D227 PolarHBondContact O-N 3.13Å; C225-H228 CarbonylContact O-C 3.57Å; C225-H228 PolarHBondContact O-N 3.13Å; C225-H228 PolarHBondContact SG-ND1 3.41Å; C225-S229 PolarHBondContact O-N 2.75Å; C225-S229 PolarHBondContact O-OG 3.24Å
226L89.1Confident70.4Confident116 Ų11689.3 Ų89.361%0.60749%0.486SS*.G310 helixtrans-53.1-41.9178.7-64.9170.3000112.2L207 H228L207-L226 HydrophobicContact CD2-CD2 3.46Å; L207-L226 VanDerWaalsContact CD2-CD2 3.46Å; L207-L226 HydrophobicContact CD2-CG 3.77Å; L226-H228 PolarHBondContact O-N 3.44Å
227D88.5Confident68.8Low130 Ų13096.2 Ų96.270%0.69551%0.505SS*.G310 helixtrans-72.9-10.3-178.3-35.7-76000114.3C225C225-D227 PolarHBondContact O-N 3.13Å
228H88.6Confident67.6Low74 Ų7493.2 Ų93.234%0.34350%0.501SS..G310 helixtrans-1301-175.8-67.4127.9000114.1T190 C193 F224 C225 L226 S230T190-H228 WeakPolarHBondContact OG1-CB 3.35Å; C193-H228 VanDerWaalsContact SG-CE1 3.58Å; C193-H228 PolarHBondContact SG-ND1 3.5Å; C193-H228 VanDerWaalsContact SG-ND1 3.42Å; F224-H228 HydrophobicContact CB-CB 4.36Å; C225-H228 CarbonylContact O-C 3.57Å; C225-H228 PolarHBondContact O-N 3.13Å; C225-H228 PolarHBondContact SG-ND1 3.41Å; L226-H228 PolarHBondContact O-N 3.44Å; H228-S230 PolarHBondContact O-N 2.97Å
229S79.7Confident66.2Low38 Ų3893.7 Ų93.727%0.26651%0.514SS..SBendtrans-68.9123.5167-59.70000106.6E208 C225 G231E208-S229 PolarHBondContact N-OG 3.03Å; E208-S229 WeakPolarHBondContact OE2-CA 3.45Å; C225-S229 PolarHBondContact O-N 2.75Å; C225-S229 PolarHBondContact O-OG 3.24Å; S229-G231 PolarHBondContact O-N 2.85Å; S229-G231 VanDerWaalsContact O-N 3.11Å
230S58.5Low64.6Low86 Ų8697.8 Ų97.860%0.60153%0.528SS*.  trans-72.5109.8-162.9-60.90000110.6E208 H228 D232E208-S230 PolarHBondContact OE2-N 3.39Å; H228-S230 PolarHBondContact O-N 2.97Å; S230-D232 VanDerWaalsContact C-N 3.31Å; S230-D232 PolarHBondContact O-N 3.23Å
231G49.4Very low63Low77 Ų7798 Ų9879%0.79455%0.545SS*.  trans-70.880.7-179.200000112.7S229 P233S229-G231 PolarHBondContact O-N 2.85Å; S229-G231 VanDerWaalsContact O-N 3.11Å; G231-P233 WeakPolarHBondContact O-CD 3.36Å
232D38.3Very low61.3Low105 Ų10596.9 Ų96.956%0.56154%0.544SS*.  trans-75.2118.2175-149.5-36.9000110.3S230 E234 Q235 S236S230-D232 VanDerWaalsContact C-N 3.31Å; S230-D232 PolarHBondContact O-N 3.23Å; D232-E234 VanDerWaalsContact C-N 3.26Å; D232-E234 PolarHBondContact O-N 3.48Å; D232-E234 VanDerWaalsContact O-N 3.12Å; D232-Q235 PolarHBondContact O-N 3.02Å; D232-S236 PolarHBondContact O-N 2.84Å
233P42.3Very low59.9Low93 Ų9394.9 Ų94.960%0.60454%0.542SS*.THydrogen-bonded Turntrans-61-26.8-167.4-28.236.8000115.5G231 S236G231-P233 WeakPolarHBondContact O-CD 3.36Å; P233-S236 WeakPolarHBondContact O-CB 3.35Å; P233-S236 PolarHBondContact O-N 2.95Å; P233-S236 PolarHBondContact O-OG 3.33Å
234E41.1Very low58.2Low182 Ų18298.9 Ų98.985%0.8558%0.575SS**THydrogen-bonded Turntrans-75.6-31.1-177.4-62.6-157.6119.200113.1D232 S236D232-E234 VanDerWaalsContact C-N 3.26Å; D232-E234 PolarHBondContact O-N 3.48Å; D232-E234 VanDerWaalsContact O-N 3.12Å; E234-S236 VanDerWaalsContact C-N 3.34Å
235Q43.3Very low56.4Low151 Ų151103.2 Ų103.271%0.70660%0.599SS**G310 helixtrans-81.1-13.6173.5-71.1-173.7-15.900113.2D232 R237 A238D232-Q235 PolarHBondContact O-N 3.02Å; Q235-R237 PolarHBondContact O-N 3.07Å; Q235-A238 PolarHBondContact O-N 3.45Å
236S35.8Very low54.4Low85 Ų85107.2 Ų107.259%0.59462%0.617SS**G310 helixtrans-61.9-9.1179.177.40000115.1D232 P233 E234D232-S236 PolarHBondContact O-N 2.84Å; P233-S236 WeakPolarHBondContact O-CB 3.35Å; P233-S236 PolarHBondContact O-N 2.95Å; P233-S236 PolarHBondContact O-OG 3.33Å; E234-S236 VanDerWaalsContact C-N 3.34Å
237R40.3Very low53Low239 Ų239105.1 Ų105.190%0.90260%0.601SS**G310 helixtrans-90.3-11.5175.3-75-172.6166.8-166.8-3.6115.2Q235Q235-R237 PolarHBondContact O-N 3.07Å
238A44.2Very low51.5Low90 Ų90101.5 Ų101.574%0.74459%0.589SS**THydrogen-bonded Turntrans-101.2-35.7177.100000112.7Q235Q235-A238 PolarHBondContact O-N 3.45Å
239S45Very low50.4Low95 Ų95102.9 Ų102.966%0.66460%0.596SS**  trans-107.377.5-166.3-57.10000113.1
240Q42.1Very low49.6Very low166 Ų166107 Ų10778%0.77661%0.606SS**  trans-66.2148.4158.4-69.3-164.717.100109.7V242Q240-V242 VanDerWaalsContact C-N 3.26Å; Q240-V242 PolarHBondContact O-N 3.36Å
241P43.3Very low49.5Very low126 Ų126105.9 Ų105.982%0.81859%0.593SS**  trans-71.483.717530.5-34.9000109.9S243P241-S243 PolarHBondContact O-N 2.93Å; P241-S243 VanDerWaalsContact O-N 3.15Å
242V49.8Very low50.3Low53 Ų53107.4 Ų107.432%0.32158%0.579SS.*  trans-46.5122.6177.8-89.60000110Q240 E246 R247Q240-V242 VanDerWaalsContact C-N 3.26Å; Q240-V242 PolarHBondContact O-N 3.36Å; V242-E246 HydrophobicContact CB-CB 4.34Å; V242-E246 HydrophobicContact CG1-CB 4.22Å; V242-R247 PolarHBondContact O-NH1 2.81Å
243S59.3Low51.7Low49 Ų49107.5 Ų107.534%0.34358%0.579SS.*  trans-62.7167.2-175.4670000111.4P241 L245 E246 R247P241-S243 PolarHBondContact O-N 2.93Å; P241-S243 VanDerWaalsContact O-N 3.15Å; S243-L245 PolarHBondContact O-N 3.37Å; S243-L245 VanDerWaalsContact O-N 3.15Å; S243-L245 PolarHBondContact OG-N 3.35Å; S243-E246 WeakPolarHBondContact CB-OE2 3.5Å; S243-E246 PolarHBondContact N-OE2 3.09Å; S243-E246 PolarHBondContact O-N 3Å; S243-E246 PolarHBondContact OG-N 3.47Å; S243-E246 VanDerWaalsContact OG-N 3.15Å; S243-E246 PolarHBondContact OG-OE2 3.1Å; S243-R247 WeakPolarHBondContact O-CB 3.17Å; S243-R247 PolarHBondContact O-N 3.37Å; S243-R247 PolarHBondContact O-NH1 3.42Å
244A55.7Low52.6Low88 Ų88108 Ų10873%0.72757%0.573SS**Hα-helixtrans-61.3-18.317100000112.6A248A244-A248 WeakPolarHBondContact O-CB 3.39Å; A244-A248 PolarHBondContact O-N 3.22Å
245L57.3Low53.6Low120 Ų120107.2 Ų107.263%0.62856%0.563SS**Hα-helixtrans-81.4-56.3176-15177.9000110.8S243 R247 A248 E249S243-L245 PolarHBondContact O-N 3.37Å; S243-L245 VanDerWaalsContact O-N 3.15Å; S243-L245 PolarHBondContact OG-N 3.35Å; L245-R247 PolarHBondContact O-N 3.01Å; L245-A248 CarbonylContact O-C 3.55Å; L245-A248 WeakPolarHBondContact O-CA 3.41Å; L245-A248 WeakPolarHBondContact O-CB 3.42Å; L245-A248 PolarHBondContact O-N 3.18Å; L245-E249 WeakPolarHBondContact O-CG 3.5Å; L245-E249 PolarHBondContact O-N 3.33Å
246E51.9Low54.8Low89 Ų89104 Ų10442%0.41655%0.547SS..Hα-helixtrans-60.8-32.8-179.4-66.6153.2115.900112.4V242 S243 R250V242-E246 HydrophobicContact CB-CB 4.34Å; V242-E246 HydrophobicContact CG1-CB 4.22Å; S243-E246 WeakPolarHBondContact CB-OE2 3.5Å; S243-E246 PolarHBondContact N-OE2 3.09Å; S243-E246 PolarHBondContact O-N 3Å; S243-E246 PolarHBondContact OG-N 3.47Å; S243-E246 VanDerWaalsContact OG-N 3.15Å; S243-E246 PolarHBondContact OG-OE2 3.1Å; E246-R250 WeakPolarHBondContact O-CB 3.4Å; E246-R250 PolarHBondContact O-N 3.09Å
247R57.8Low56.2Low72 Ų72104.2 Ų104.227%0.27254%0.538SS..Hα-helixtrans-70.8-38.5172.2-175.5-170.1-8079.10.4111.9D204 V242 S243 L245 E249 R250 D251D204-R247 PolarHBondContact O-NE 3.16Å; V242-R247 PolarHBondContact O-NH1 2.81Å; S243-R247 WeakPolarHBondContact O-CB 3.17Å; S243-R247 PolarHBondContact O-N 3.37Å; S243-R247 PolarHBondContact O-NH1 3.42Å; L245-R247 PolarHBondContact O-N 3.01Å; R247-E249 VanDerWaalsContact C-N 3.33Å; R247-R250 PolarHBondContact O-N 2.91Å; R247-D251 WeakPolarHBondContact O-CB 3.36Å; R247-D251 PolarHBondContact O-N 2.8Å
248A58.5Low57.4Low54 Ų5495.4 Ų95.445%0.44651%0.51SS..Hα-helixtrans-67.7-35.2174.300000112A244 L245 Q252A244-A248 WeakPolarHBondContact O-CB 3.39Å; A244-A248 PolarHBondContact O-N 3.22Å; L245-A248 CarbonylContact O-C 3.55Å; L245-A248 WeakPolarHBondContact O-CA 3.41Å; L245-A248 WeakPolarHBondContact O-CB 3.42Å; L245-A248 PolarHBondContact O-N 3.18Å; A248-Q252 VanDerWaalsContact O-CB 3.29Å; A248-Q252 WeakPolarHBondContact O-CB 3.43Å; A248-Q252 PolarHBondContact O-N 3.36Å
249E64.7Low58.8Low102 Ų10294.6 Ų94.648%0.47750%0.5SS..Hα-helixtrans-66.3-42.5172.8-69.8168.7162.900111L245 R247 Q252 L253L245-E249 WeakPolarHBondContact O-CG 3.5Å; L245-E249 PolarHBondContact O-N 3.33Å; R247-E249 VanDerWaalsContact C-N 3.33Å; E249-Q252 PolarHBondContact O-N 3.31Å; E249-L253 WeakPolarHBondContact O-CB 3.48Å; E249-L253 VanDerWaalsContact O-CG 3.28Å; E249-L253 WeakPolarHBondContact O-CG 3.5Å; E249-L253 PolarHBondContact O-N 3.27Å
250R62.7Low60Low126 Ų12695.3 Ų95.348%0.47549%0.492SS..Hα-helixtrans-62.9-50.3171.4-169.1-169.3-62.3-147.6-2.9112.3E246 R247 Q252 L253 E254E246-R250 WeakPolarHBondContact O-CB 3.4Å; E246-R250 PolarHBondContact O-N 3.09Å; R247-R250 PolarHBondContact O-N 2.91Å; R250-Q252 PolarHBondContact O-N 3.33Å; R250-Q252 VanDerWaalsContact O-N 3.16Å; R250-L253 PolarHBondContact O-N 3.29Å; R250-L253 VanDerWaalsContact O-N 3.1Å; R250-E254 WeakPolarHBondContact CD-OE1 3.27Å; R250-E254 WeakPolarHBondContact CG-OE1 3.43Å; R250-E254 PolarHBondContact O-N 3.1Å
251D56.5Low61.3Low62 Ų6291.8 Ų91.833%0.33247%0.472SS..Hα-helixtrans-53.3-35.1174.5-10977.4000111.5R247 R255R247-D251 WeakPolarHBondContact O-CB 3.36Å; R247-D251 PolarHBondContact O-N 2.8Å; D251-R255 WeakPolarHBondContact O-CD 3.27Å; D251-R255 WeakPolarHBondContact O-CG 3.34Å; D251-R255 PolarHBondContact O-N 2.96Å; D251-R255 PolarHBondContact O-NE 2.65Å; D251-R255 IonicContact OD2-CZ 2.65Å; D251-R255 IonicContact OD2-NE 2.82Å; D251-R255 IonicContact OD2-NH2 3.63Å; D251-R255 PolarHBondContact OD2-NH2 2.68Å
252Q67.4Low62.7Low109 Ų10992.3 Ų92.351%0.50946%0.461SS..Hα-helixtrans-74.8-47.7176.1178.7171.5-18.900111.7A248 E249 R250 E254 R255 E256A248-Q252 VanDerWaalsContact O-CB 3.29Å; A248-Q252 WeakPolarHBondContact O-CB 3.43Å; A248-Q252 PolarHBondContact O-N 3.36Å; E249-Q252 PolarHBondContact O-N 3.31Å; R250-Q252 PolarHBondContact O-N 3.33Å; R250-Q252 VanDerWaalsContact O-N 3.16Å; Q252-E254 VanDerWaalsContact C-N 3.34Å; Q252-E254 PolarHBondContact O-N 3.01Å; Q252-R255 WeakPolarHBondContact O-CB 3.35Å; Q252-R255 PolarHBondContact O-N 2.86Å; Q252-R255 VanDerWaalsContact O-N 3.14Å; Q252-E256 HydrophobicContact CG-CG 4.42Å; Q252-E256 VanDerWaalsContact CG-OE1 3.24Å; Q252-E256 WeakPolarHBondContact CG-OE1 3.43Å; Q252-E256 PolarHBondContact NE2-OE1 3.44Å; Q252-E256 WeakPolarHBondContact O-CB 3.44Å; Q252-E256 WeakPolarHBondContact O-CG 3.43Å; Q252-E256 PolarHBondContact O-N 3.47Å
253L67.6Low64.1Low106 Ų10694.7 Ų94.756%0.55547%0.469SS*.Hα-helixtrans-59.5-41.4177.3-73.1166.3000112E249 R250 E256 K257E249-L253 WeakPolarHBondContact O-CB 3.48Å; E249-L253 VanDerWaalsContact O-CG 3.28Å; E249-L253 WeakPolarHBondContact O-CG 3.5Å; E249-L253 PolarHBondContact O-N 3.27Å; R250-L253 PolarHBondContact O-N 3.29Å; R250-L253 VanDerWaalsContact O-N 3.1Å; L253-E256 PolarHBondContact O-N 3.04Å; L253-K257 WeakPolarHBondContact O-CG 3.17Å; L253-K257 PolarHBondContact O-N 3.49Å
254E60.4Low65Low103 Ų10395.8 Ų95.848%0.48147%0.468SS..Hα-helixtrans-61.4-43.8173.5-74.8174.2-150.300111.8R250 Q252 E256 K257 V258R250-E254 WeakPolarHBondContact CD-OE1 3.27Å; R250-E254 WeakPolarHBondContact CG-OE1 3.43Å; R250-E254 PolarHBondContact O-N 3.1Å; Q252-E254 VanDerWaalsContact C-N 3.34Å; Q252-E254 PolarHBondContact O-N 3.01Å; E254-E256 VanDerWaalsContact C-N 3.3Å; E254-E256 PolarHBondContact O-N 3.12Å; E254-K257 PolarHBondContact O-N 3.02Å; E254-V258 WeakPolarHBondContact O-CB 3.32Å; E254-V258 VanDerWaalsContact O-CG2 3.32Å; E254-V258 WeakPolarHBondContact O-CG2 3.28Å; E254-V258 PolarHBondContact O-N 2.95Å
255R62.2Low66Low166 Ų16694.3 Ų94.363%0.62645%0.447SS*.Hα-helixtrans-64.8-36175.8-69159.4-157-95.3-1.4111.8D251 Q252 S259D251-R255 WeakPolarHBondContact O-CD 3.27Å; D251-R255 WeakPolarHBondContact O-CG 3.34Å; D251-R255 PolarHBondContact O-N 2.96Å; D251-R255 PolarHBondContact O-NE 2.65Å; D251-R255 IonicContact OD2-CZ 2.65Å; D251-R255 IonicContact OD2-NE 2.82Å; D251-R255 IonicContact OD2-NH2 3.63Å; D251-R255 PolarHBondContact OD2-NH2 2.68Å; Q252-R255 WeakPolarHBondContact O-CB 3.35Å; Q252-R255 PolarHBondContact O-N 2.86Å; Q252-R255 VanDerWaalsContact O-N 3.14Å; R255-S259 VanDerWaalsContact O-CB 3.27Å; R255-S259 WeakPolarHBondContact O-CB 3.43Å; R255-S259 PolarHBondContact O-N 3.48Å
256E68.8Low67.2Low83 Ų8393.4 Ų93.439%0.38844%0.439SS..Hα-helixtrans-71-42176.1-72.9174.3-168.300111.2Q252 L253 E254 S259 Q260Q252-E256 HydrophobicContact CG-CG 4.42Å; Q252-E256 VanDerWaalsContact CG-OE1 3.24Å; Q252-E256 WeakPolarHBondContact CG-OE1 3.43Å; Q252-E256 PolarHBondContact NE2-OE1 3.44Å; Q252-E256 WeakPolarHBondContact O-CB 3.44Å; Q252-E256 WeakPolarHBondContact O-CG 3.43Å; Q252-E256 PolarHBondContact O-N 3.47Å; L253-E256 PolarHBondContact O-N 3.04Å; E254-E256 VanDerWaalsContact C-N 3.3Å; E254-E256 PolarHBondContact O-N 3.12Å; E256-S259 PolarHBondContact O-N 3.48Å; E256-Q260 WeakPolarHBondContact O-CB 3.24Å; E256-Q260 VanDerWaalsContact O-CG 3.24Å; E256-Q260 WeakPolarHBondContact O-CG 3.17Å; E256-Q260 PolarHBondContact O-N 2.78Å; E256-Q260 PolarHBondContact O-NE2 2.98Å
257K65.3Low68.8Low90 Ų9093.4 Ų93.439%0.39144%0.44SS..Hα-helixtrans-57.5-48.8169.6-75-165.6-176.4-1630111.4D61 L253 E254 S259 Q260 R261D61-K257 IonicContact OD1-NZ 2.71Å; D61-K257 PolarHBondContact OD1-NZ 3.4Å; D61-K257 VanDerWaalsContact OD2-CD 3.3Å; D61-K257 WeakPolarHBondContact OD2-CD 3.44Å; D61-K257 IonicContact OD2-NZ 2.76Å; D61-K257 PolarHBondContact OD2-NZ 3.14Å; L253-K257 WeakPolarHBondContact O-CG 3.17Å; L253-K257 PolarHBondContact O-N 3.49Å; E254-K257 PolarHBondContact O-N 3.02Å; K257-S259 VanDerWaalsContact C-N 3.34Å; K257-S259 PolarHBondContact O-N 2.95Å; K257-Q260 PolarHBondContact O-N 2.73Å; K257-R261 PolarHBondContact O-N 2.93Å
258V64.4Low70.1Confident54 Ų5491.7 Ų91.733%0.32744%0.436SS..Hα-helixtrans-63.8-39178.1169.10000111.7N87 E254 K262N87-V258 HydrophobicContact CB-CG1 3.78Å; E254-V258 WeakPolarHBondContact O-CB 3.32Å; E254-V258 VanDerWaalsContact O-CG2 3.32Å; E254-V258 WeakPolarHBondContact O-CG2 3.28Å; E254-V258 PolarHBondContact O-N 2.95Å; V258-K262 WeakPolarHBondContact O-CB 3.35Å; V258-K262 PolarHBondContact O-N 3.48Å
259S73.4Confident71.3Confident74 Ų7494.2 Ų94.252%0.51744%0.438SS..Hα-helixtrans-65.1-40174.1-167.10000111.8R255 E256 K257 K262 Q263R255-S259 VanDerWaalsContact O-CB 3.27Å; R255-S259 WeakPolarHBondContact O-CB 3.43Å; R255-S259 PolarHBondContact O-N 3.48Å; E256-S259 PolarHBondContact O-N 3.48Å; K257-S259 VanDerWaalsContact C-N 3.34Å; K257-S259 PolarHBondContact O-N 2.95Å; S259-K262 PolarHBondContact O-N 2.74Å; S259-Q263 WeakPolarHBondContact O-CB 3.46Å; S259-Q263 PolarHBondContact O-N 2.84Å
260Q70.7Confident72.4Confident109 Ų10992.3 Ų92.351%0.50943%0.431SS..Hα-helixtrans-67.2-44.1175.7-73.5169.757.600111.9E256 K257 K262 Q263 K264E256-Q260 WeakPolarHBondContact O-CB 3.24Å; E256-Q260 VanDerWaalsContact O-CG 3.24Å; E256-Q260 WeakPolarHBondContact O-CG 3.17Å; E256-Q260 PolarHBondContact O-N 2.78Å; E256-Q260 PolarHBondContact O-NE2 2.98Å; K257-Q260 PolarHBondContact O-N 2.73Å; Q260-K262 VanDerWaalsContact C-N 3.32Å; Q260-K262 PolarHBondContact O-N 3.4Å; Q260-Q263 PolarHBondContact O-N 3.46Å; Q260-Q263 VanDerWaalsContact O-N 3.13Å; Q260-K264 PolarHBondContact O-N 3.38Å
261R69.9Low73.6Confident93 Ų9389.9 Ų89.935%0.35143%0.425SS..Hα-helixtrans-57.1-46.3173.9-178.2179.7178.4-177.91.4111K257 K264 L265K257-R261 PolarHBondContact O-N 2.93Å; R261-K264 PolarHBondContact O-N 2.8Å; R261-L265 HydrophobicContact CG-CD1 4.26Å; R261-L265 WeakPolarHBondContact O-CB 3.3Å; R261-L265 WeakPolarHBondContact O-CG 3.49Å; R261-L265 PolarHBondContact O-N 3.15Å
262K73.5Confident75.3Confident136 Ų13686.9 Ų86.959%0.59141%0.409SS*.Hα-helixtrans-64-40.1175.9-178.7174.3173.9176.50112.1V258 S259 Q260 L265 Q266V258-K262 WeakPolarHBondContact O-CB 3.35Å; V258-K262 PolarHBondContact O-N 3.48Å; S259-K262 PolarHBondContact O-N 2.74Å; Q260-K262 VanDerWaalsContact C-N 3.32Å; Q260-K262 PolarHBondContact O-N 3.4Å; K262-L265 PolarHBondContact O-N 3.11Å; K262-Q266 WeakPolarHBondContact O-CB 3.09Å; K262-Q266 PolarHBondContact O-N 2.65Å
263Q78.8Confident76.4Confident104 Ų10483.9 Ų83.949%0.48639%0.394SS..Hα-helixtrans-63-48.8177.1-176.9-179.1-29.500111.1S259 Q260 L265 Q266 E267S259-Q263 WeakPolarHBondContact O-CB 3.46Å; S259-Q263 PolarHBondContact O-N 2.84Å; Q260-Q263 PolarHBondContact O-N 3.46Å; Q260-Q263 VanDerWaalsContact O-N 3.13Å; Q263-L265 PolarHBondContact O-N 2.86Å; Q263-Q266 CarbonylContact O-C 3.58Å; Q263-Q266 PolarHBondContact O-N 3.31Å; Q263-Q266 VanDerWaalsContact O-N 3.13Å; Q263-E267 HydrophobicContact CG-CG 4.4Å; Q263-E267 WeakPolarHBondContact CG-OE1 3.43Å; Q263-E267 PolarHBondContact NE2-OE1 3.22Å; Q263-E267 WeakPolarHBondContact O-CG 3.48Å; Q263-E267 PolarHBondContact O-N 3.49Å
264K77.8Confident77.5Confident72 Ų7285.7 Ų85.731%0.31339%0.393SS..Hα-helixtrans-60.4-42.2176.7-68.8-173.4-177.7-176.50112.7L56 Q260 R261 Q266 E267 L268L56-K264 VanDerWaalsContact C-NZ 3.26Å; L56-K264 HydrophobicContact CD2-CB 3.61Å; L56-K264 HydrophobicContact CD2-CD 4.35Å; L56-K264 WeakPolarHBondContact O-CD 3.35Å; L56-K264 PolarHBondContact O-NZ 3.48Å; Q260-K264 PolarHBondContact O-N 3.38Å; R261-K264 PolarHBondContact O-N 2.8Å; K264-Q266 VanDerWaalsContact C-N 3.33Å; K264-Q266 PolarHBondContact O-N 3.35Å; K264-E267 PolarHBondContact O-N 3.03Å; K264-L268 WeakPolarHBondContact O-CG 3.47Å; K264-L268 PolarHBondContact O-N 3.15Å
265L77.5Confident78.8Confident56 Ų5682.3 Ų82.329%0.29338%0.378SS..Hα-helixtrans-58.8-45.4173.4-78.8167.8000111.2I50 L56 R261 K262 Q263 E267 L268 E269I50-L265 HydrophobicContact CD1-CD2 4.4Å; I50-L265 HydrophobicContact CG1-CD2 4.19Å; L56-L265 HydrophobicContact CD1-CD2 3.78Å; L56-L265 HydrophobicContact CD1-CG 4.25Å; L56-L265 HydrophobicContact CD2-CD2 4.08Å; L56-L265 HydrophobicContact CD2-CG 3.96Å; R261-L265 HydrophobicContact CG-CD1 4.26Å; R261-L265 WeakPolarHBondContact O-CB 3.3Å; R261-L265 WeakPolarHBondContact O-CG 3.49Å; R261-L265 PolarHBondContact O-N 3.15Å; K262-L265 PolarHBondContact O-N 3.11Å; Q263-L265 PolarHBondContact O-N 2.86Å; L265-E267 VanDerWaalsContact C-N 3.34Å; L265-E267 PolarHBondContact O-N 3.03Å; L265-L268 PolarHBondContact O-N 2.94Å; L265-E269 WeakPolarHBondContact O-CG 3.43Å; L265-E269 PolarHBondContact O-N 3.34Å
266Q82Confident80.3Confident101 Ų10174.5 Ų74.547%0.47235%0.349SS..Hα-helixtrans-66.6-34.7176.3-167.2-174.9-37.200112.1K262 Q263 K264 E269 D270K262-Q266 WeakPolarHBondContact O-CB 3.09Å; K262-Q266 PolarHBondContact O-N 2.65Å; Q263-Q266 CarbonylContact O-C 3.58Å; Q263-Q266 PolarHBondContact O-N 3.31Å; Q263-Q266 VanDerWaalsContact O-N 3.13Å; K264-Q266 VanDerWaalsContact C-N 3.33Å; K264-Q266 PolarHBondContact O-N 3.35Å; Q266-E269 PolarHBondContact O-N 2.81Å; Q266-D270 WeakPolarHBondContact O-CB 3.31Å; Q266-D270 PolarHBondContact O-N 2.91Å
267E84.9Confident81.4Confident90 Ų9075.6 Ų75.642%0.42135%0.354SS..Hα-helixtrans-66-41.2174.5-73.8166175.400111.2Q263 K264 L265 D270 E271Q263-E267 HydrophobicContact CG-CG 4.4Å; Q263-E267 WeakPolarHBondContact CG-OE1 3.43Å; Q263-E267 PolarHBondContact NE2-OE1 3.22Å; Q263-E267 WeakPolarHBondContact O-CG 3.48Å; Q263-E267 PolarHBondContact O-N 3.49Å; K264-E267 PolarHBondContact O-N 3.03Å; L265-E267 VanDerWaalsContact C-N 3.34Å; L265-E267 PolarHBondContact O-N 3.03Å; E267-D270 PolarHBondContact O-N 3.31Å; E267-E271 VanDerWaalsContact O-CB 3.28Å; E267-E271 WeakPolarHBondContact O-CB 3.21Å; E267-E271 WeakPolarHBondContact O-CG 3.5Å; E267-E271 PolarHBondContact O-N 2.99Å
268L84.6Confident82.7Confident36 Ų3672 Ų7219%0.18834%0.34CS..Hα-helixtrans-62.8-43.2171-70170.9000112A49 I50 L56 K264 L265 E271 F272A49-L268 HydrophobicContact CB-CD2 4.28Å; I50-L268 HydrophobicContact CG1-CD1 4.47Å; L56-L268 HydrophobicContact CD2-CD1 3.93Å; L56-L268 HydrophobicContact CG-CD1 4.29Å; K264-L268 WeakPolarHBondContact O-CG 3.47Å; K264-L268 PolarHBondContact O-N 3.15Å; L265-L268 PolarHBondContact O-N 2.94Å; L268-E271 CarbonylContact O-C 3.59Å; L268-E271 PolarHBondContact O-N 2.74Å; L268-F272 WeakPolarHBondContact O-CA 3.38Å; L268-F272 PolarHBondContact O-N 2.89Å
269E85.3Confident84.1Confident107 Ų10771.5 Ų71.550%0.534%0.339SS..Hα-helixtrans-63.9-37.3173.7-73.9-178.2160.300112.5L265 Q266 F272 N308L265-E269 WeakPolarHBondContact O-CG 3.43Å; L265-E269 PolarHBondContact O-N 3.34Å; Q266-E269 PolarHBondContact O-N 2.81Å; E269-F272 WeakPolarHBondContact O-CD1 3.47Å; E269-N308 WeakPolarHBondContact O-CB 3.47Å; E269-N308 PolarHBondContact O-ND2 3.06Å
270D86.3Confident84.9Confident62 Ų6270.7 Ų70.733%0.33233%0.329SS..Hα-helixtrans-77.1-24.3178.1-100.1-44.9000112.9Q266 E267 Y273 K304 N308Q266-D270 WeakPolarHBondContact O-CB 3.31Å; Q266-D270 PolarHBondContact O-N 2.91Å; E267-D270 PolarHBondContact O-N 3.31Å; D270-Y273 WeakPolarHBondContact O-CE1 3.47Å; D270-K304 WeakPolarHBondContact O-CE 3.46Å; D270-K304 PolarHBondContact O-NZ 3.18Å; D270-K304 IonicContact OD1-NZ 3.03Å; D270-K304 PolarHBondContact OD1-NZ 3.22Å; D270-N308 PolarHBondContact OD1-ND2 3.36Å
271E89.4Confident86Confident74 Ų7465.5 Ų65.535%0.34630%0.304SS..SBendtrans-108.312.8-178.5-57.8-169.2148.600113.5E267 L268 Y273 R274E267-E271 VanDerWaalsContact O-CB 3.28Å; E267-E271 WeakPolarHBondContact O-CB 3.21Å; E267-E271 WeakPolarHBondContact O-CG 3.5Å; E267-E271 PolarHBondContact O-N 2.99Å; L268-E271 CarbonylContact O-C 3.59Å; L268-E271 PolarHBondContact O-N 2.74Å; E271-Y273 PolarHBondContact O-N 3.07Å; E271-R274 VanDerWaalsContact CD-NH1 3.3Å; E271-R274 WeakPolarHBondContact O-CB 3.43Å; E271-R274 PolarHBondContact O-N 2.95Å; E271-R274 IonicContact OE1-CZ 2.68Å; E271-R274 VanDerWaalsContact OE1-CZ 3.3Å; E271-R274 IonicContact OE1-NH1 3.88Å; E271-R274 PolarHBondContact OE1-NH1 3.32Å; E271-R274 IonicContact OE1-NH2 3.7Å; E271-R274 PolarHBondContact OE1-NH2 2.63Å; E271-R274 IonicContact OE2-CZ 3.63Å; E271-R274 IonicContact OE2-NE 2.79Å; E271-R274 IonicContact OE2-NH1 3.26Å; E271-R274 PolarHBondContact OE2-NH1 2.92Å; E271-R274 IonicContact OE2-NH2 2.68Å; E271-R274 PolarHBondContact OE2-NH2 3.28Å
272F90.8Very high87.1Confident0 Ų061.4 Ų61.40%029%0.29CS..G310 helixtrans-39.6-38.7-178.375-89.4000114.9L268 E269 R274 L275 W299 K300 R303 K304L268-F272 WeakPolarHBondContact O-CA 3.38Å; L268-F272 PolarHBondContact O-N 2.89Å; E269-F272 WeakPolarHBondContact O-CD1 3.47Å; F272-R274 PolarHBondContact O-N 2.97Å; F272-L275 WeakPolarHBondContact O-CB 3.44Å; F272-L275 PolarHBondContact O-N 3.1Å; F272-W299 AromaticContact CD2-CH2 3.54Å; F272-W299 HydrophobicContact CD2-CH2 3.54Å; F272-W299 AromaticContact CD2-CZ2 3.87Å; F272-W299 HydrophobicContact CD2-CZ2 3.87Å; F272-W299 HydrophobicContact CD2-CZ3 4.18Å; F272-W299 HydrophobicContact CE2-CE3 4.31Å; F272-W299 AromaticContact CE2-CH2 3.58Å; F272-W299 HydrophobicContact CE2-CH2 3.58Å; F272-W299 AromaticContact CE2-CZ2 3.81Å; F272-W299 HydrophobicContact CE2-CZ2 3.81Å; F272-W299 AromaticContact CE2-CZ3 3.84Å; F272-W299 HydrophobicContact CE2-CZ3 3.84Å; F272-K300 HydrophobicContact CZ-CG 4.5Å; F272-R303 HydrophobicContact CE1-CB 4.13Å; F272-R303 HydrophobicContact CE2-CB 3.81Å; F272-R303 HydrophobicContact CE2-CG 4.25Å; F272-R303 HydrophobicContact CZ-CB 3.45Å; F272-R303 VanDerWaalsContact CZ-CB 3.45Å; F272-R303 HydrophobicContact CZ-CG 4.37Å; F272-K304 HydrophobicContact CE1-CD 4.37Å; F272-K304 HydrophobicContact CE1-CG 4.13Å; F272-K304 HydrophobicContact CZ-CG 4.44Å
273Y90.9Very high88Confident46 Ų4662.7 Ų62.718%0.1830%0.299CS..G310 helixtrans-66.7-17.5-178.160.7-94.9000113.7D270 E271 L275 Y296 K300D270-Y273 WeakPolarHBondContact O-CE1 3.47Å; E271-Y273 PolarHBondContact O-N 3.07Å; Y273-L275 VanDerWaalsContact C-N 3.3Å; Y273-Y296 PolarHBondContact O-OH 2.74Å; Y273-K300 HydrophobicContact CD1-CD 4.47Å; Y273-K300 HydrophobicContact CD1-CG 4.39Å; Y273-K300 HydrophobicContact CD2-CD 4.17Å; Y273-K300 VanDerWaalsContact CD2-CE 3.4Å; Y273-K300 HydrophobicContact CG-CD 3.89Å; Y273-K300 HydrophobicContact CG-CG 4.15Å
274R90.4Very high88.6Confident143 Ų14362.2 Ų62.254%0.5430%0.299SS..G310 helixtrans-76.9-16.7173-63.8-167.9-172.8149.617.6113.3E271 F272 V276E271-R274 VanDerWaalsContact CD-NH1 3.3Å; E271-R274 WeakPolarHBondContact O-CB 3.43Å; E271-R274 PolarHBondContact O-N 2.95Å; E271-R274 IonicContact OE1-CZ 2.68Å; E271-R274 VanDerWaalsContact OE1-CZ 3.3Å; E271-R274 IonicContact OE1-NH1 3.88Å; E271-R274 PolarHBondContact OE1-NH1 3.32Å; E271-R274 IonicContact OE1-NH2 3.7Å; E271-R274 PolarHBondContact OE1-NH2 2.63Å; E271-R274 IonicContact OE2-CZ 3.63Å; E271-R274 IonicContact OE2-NE 2.79Å; E271-R274 IonicContact OE2-NH1 3.26Å; E271-R274 PolarHBondContact OE2-NH1 2.92Å; E271-R274 IonicContact OE2-NH2 2.68Å; E271-R274 PolarHBondContact OE2-NH2 3.28Å; F272-R274 PolarHBondContact O-N 2.97Å; R274-V276 VanDerWaalsContact C-N 3.3Å
275L89Confident89.2Confident33 Ų3361.8 Ų61.817%0.17330%0.3CS..SBendtrans-77-23.6177.9-55.9171.9000110.9K45 M46 A49 F272 Y273K45-L275 HydrophobicContact CB-CB 4.12Å; K45-L275 WeakPolarHBondContact CD-O 3.33Å; K45-L275 PolarHBondContact NZ-O 3.32Å; M46-L275 HydrophobicContact CB-CD1 3.63Å; M46-L275 HydrophobicContact CG-CD1 4.08Å; A49-L275 HydrophobicContact CB-CD2 4.31Å; F272-L275 WeakPolarHBondContact O-CB 3.44Å; F272-L275 PolarHBondContact O-N 3.1Å; Y273-L275 VanDerWaalsContact C-N 3.3Å
276V92.6Very high89.8Confident1 Ų162.4 Ų62.41%0.00632%0.321CS..  trans-107.7115.4-175.9-173.10000110.5L38 V41 C42 R274 V281 Y296 W299L38-V276 HydrophobicContact CD2-CG1 3.65Å; V41-V276 HydrophobicContact CB-CG1 4.41Å; V41-V276 HydrophobicContact CB-CG2 4.5Å; V41-V276 HydrophobicContact CG1-CG1 4.17Å; V41-V276 HydrophobicContact CG1-CG2 4.27Å; C42-V276 VanDerWaalsContact CA-CG2 3.49Å; C42-V276 HydrophobicContact CB-CG2 3.54Å; R274-V276 VanDerWaalsContact C-N 3.3Å; V276-V281 HydrophobicContact CG1-CG2 4.06Å; V276-Y296 HydrophobicContact CB-CE2 4.3Å; V276-Y296 HydrophobicContact CG1-CD2 4.49Å; V276-Y296 VanDerWaalsContact O-CE2 3.26Å; V276-Y296 WeakPolarHBondContact O-CE2 3.45Å; V276-W299 HydrophobicContact CB-CH2 4.17Å; V276-W299 HydrophobicContact CB-CZ3 4.2Å; V276-W299 HydrophobicContact CG2-CH2 3.67Å; V276-W299 HydrophobicContact CG2-CZ3 4.21Å
277E92.3Very high90.2Very high106 Ų10659.5 Ų59.550%0.49531%0.308SS..  trans-92.2127.9171.2-71.3-64.7167.600109.6S279 D280E277-S279 PolarHBondContact O-N 2.91Å; E277-D280 PolarHBondContact O-N 3.21Å
278P92.4Very high90.6Very high14 Ų1458.2 Ų58.29%0.09131%0.307CS..Hα-helixtrans-61.6-24.3179.9-2635.6000114.4A282 L289 V292 D293 Y296P278-A282 VanDerWaalsContact O-CB 3.31Å; P278-A282 WeakPolarHBondContact O-CB 3.36Å; P278-A282 PolarHBondContact O-N 2.84Å; P278-L289 HydrophobicContact CB-CD1 3.88Å; P278-V292 HydrophobicContact CB-CG1 4.32Å; P278-D293 WeakPolarHBondContact CB-OD1 3.26Å; P278-Y296 HydrophobicContact CG-CD1 4Å; P278-Y296 HydrophobicContact CG-CD2 3.94Å; P278-Y296 HydrophobicContact CG-CE1 4.4Å; P278-Y296 HydrophobicContact CG-CE2 4.32Å; P278-Y296 HydrophobicContact CG-CG 3.76Å
279S92.9Very high90.9Very high45 Ų4560.4 Ų60.432%0.31532%0.319SS..Hα-helixtrans-58.3-50.1173.844.60000112.2E277 V281 A282 E283E277-S279 PolarHBondContact O-N 2.91Å; S279-V281 VanDerWaalsContact C-N 3.28Å; S279-V281 PolarHBondContact O-N 3.49Å; S279-A282 PolarHBondContact O-N 3.38Å; S279-E283 PolarHBondContact O-N 3.03Å
280D91.9Very high91.2Very high56 Ų5659.2 Ų59.230%0.29932%0.315SS..Hα-helixtrans-62-41.7-173.9-53.49.3000109.9K45 E277 N284K45-D280 IonicContact NZ-OD2 3.32Å; K45-D280 PolarHBondContact NZ-OD2 3.07Å; E277-D280 PolarHBondContact O-N 3.21Å; D280-N284 VanDerWaalsContact O-CB 3.31Å; D280-N284 WeakPolarHBondContact O-CB 3.32Å; D280-N284 PolarHBondContact O-N 3.09Å; D280-N284 PolarHBondContact O-OD1 3.5Å
281V92.6Very high91.4Very high0 Ų056.6 Ų56.60%030%0.301CS..Hα-helixtrans-72.8-36179.7177.20000111.7V34 E37 L38 V41 V276 S279 L285 V292V34-V281 HydrophobicContact CG1-CG1 4.31Å; E37-V281 HydrophobicContact CB-CG1 4.26Å; E37-V281 HydrophobicContact CG-CG1 3.95Å; E37-V281 HydrophobicContact CG-CG2 4.29Å; L38-V281 HydrophobicContact CD2-CG1 4.38Å; L38-V281 HydrophobicContact CD2-CG2 4.14Å; L38-V281 HydrophobicContact CG-CG1 4.35Å; V41-V281 HydrophobicContact CG2-CG2 4.15Å; V276-V281 HydrophobicContact CG1-CG2 4.06Å; S279-V281 VanDerWaalsContact C-N 3.28Å; S279-V281 PolarHBondContact O-N 3.49Å; V281-L285 HydrophobicContact CG1-CD1 4.02Å; V281-L285 WeakPolarHBondContact O-CB 3.35Å; V281-L285 PolarHBondContact O-N 2.89Å; V281-L285 VanDerWaalsContact O-N 3.15Å; V281-V292 HydrophobicContact CB-CG1 4.03Å; V281-V292 HydrophobicContact CG1-CG1 3.85Å
282A93.4Very high91.5Very high7 Ų753.1 Ų53.16%0.05829%0.285CS..Hα-helixtrans-66-41.2173.400000112.3P278 S279 G286 L287 L289 V292P278-A282 VanDerWaalsContact O-CB 3.31Å; P278-A282 WeakPolarHBondContact O-CB 3.36Å; P278-A282 PolarHBondContact O-N 2.84Å; S279-A282 PolarHBondContact O-N 3.38Å; A282-G286 CarbonylContact O-C 3.49Å; A282-G286 WeakPolarHBondContact O-CA 3.33Å; A282-G286 PolarHBondContact O-N 2.99Å; A282-L287 PolarHBondContact O-N 3.44Å; A282-L289 HydrophobicContact CB-CB 4.31Å; A282-L289 HydrophobicContact CB-CD1 4.09Å; A282-V292 HydrophobicContact CB-CB 4.21Å; A282-V292 HydrophobicContact CB-CG2 3.93Å
283E92.9Very high91.7Very high163 Ų16356 Ų5676%0.76230%0.3SS*.Hα-helixtrans-68.2-45.9175-70.9-173.4-16900111.9S279 L285 G286S279-E283 PolarHBondContact O-N 3.03Å; E283-L285 VanDerWaalsContact C-N 3.29Å; E283-L285 PolarHBondContact O-N 3.38Å; E283-G286 PolarHBondContact O-N 2.89Å
284N90.4Very high91.8Very high94 Ų9457.3 Ų57.350%0.50331%0.307SS..Hα-helixtrans-59.4-36.5179-75.6-5.5000113.4E37 D280E37-N284 PolarHBondContact OE1-ND2 3.44Å; D280-N284 VanDerWaalsContact O-CB 3.31Å; D280-N284 WeakPolarHBondContact O-CB 3.32Å; D280-N284 PolarHBondContact O-N 3.09Å; D280-N284 PolarHBondContact O-OD1 3.5Å
285L90.4Very high92Very high63 Ų6350.6 Ų50.633%0.3328%0.282SS..Hα-helixtrans-97.9-5.4-178.6-62.3175.8000113.7V34 E37 V281 E283 L287V34-L285 HydrophobicContact CB-CD1 4.17Å; V34-L285 HydrophobicContact CG2-CD1 3.58Å; E37-L285 HydrophobicContact CB-CD1 3.95Å; E37-L285 HydrophobicContact CB-CD2 4.42Å; E37-L285 HydrophobicContact CB-CG 4.38Å; E37-L285 HydrophobicContact CG-CD1 4.24Å; E37-L285 HydrophobicContact CG-CD2 4.49Å; E37-L285 HydrophobicContact CG-CG 4.26Å; V281-L285 HydrophobicContact CG1-CD1 4.02Å; V281-L285 WeakPolarHBondContact O-CB 3.35Å; V281-L285 PolarHBondContact O-N 2.89Å; V281-L285 VanDerWaalsContact O-N 3.15Å; E283-L285 VanDerWaalsContact C-N 3.29Å; E283-L285 PolarHBondContact O-N 3.38Å; L285-L287 VanDerWaalsContact C-N 3.29Å; L285-L287 HydrophobicContact CB-CD1 3.8Å; L285-L287 HydrophobicContact CB-CG 3.93Å; L285-L287 HydrophobicContact CD1-CD1 4.13Å; L285-L287 PolarHBondContact O-N 3.01Å
286G90.2Very high92.3Very high70 Ų7050 Ų5072%0.72228%0.277SS*.THydrogen-bonded Turntrans6627.7-176.900000114.1A282 E283A282-G286 CarbonylContact O-C 3.49Å; A282-G286 WeakPolarHBondContact O-CA 3.33Å; A282-G286 PolarHBondContact O-N 2.99Å; E283-G286 PolarHBondContact O-N 2.89Å
287L91.2Very high92.4Very high40 Ų4054.5 Ų54.521%0.20930%0.298CS..  trans-100.4151.5-173.4-68.4173.6000112.4T30 V34 A282 L285 L289 V292T30-L287 HydrophobicContact CG2-CD1 3.71Å; T30-L287 HydrophobicContact CG2-CD2 3.88Å; T30-L287 HydrophobicContact CG2-CG 4.48Å; V34-L287 HydrophobicContact CG2-CD1 3.37Å; A282-L287 PolarHBondContact O-N 3.44Å; L285-L287 VanDerWaalsContact C-N 3.29Å; L285-L287 HydrophobicContact CB-CD1 3.8Å; L285-L287 HydrophobicContact CB-CG 3.93Å; L285-L287 HydrophobicContact CD1-CD1 4.13Å; L285-L287 PolarHBondContact O-N 3.01Å; L287-L289 PolarHBondContact O-N 2.97Å; L287-V292 HydrophobicContact CB-CG2 3.88Å; L287-V292 HydrophobicContact CD1-CG2 4.27Å
288P92Very high92.5Very high63 Ų6350.3 Ų50.341%0.40928%0.279SS..  trans-55.7122.7168.2-23.432.1000112L290 Q291 V292P288-L290 PolarHBondContact O-N 2.97Å; P288-L290 VanDerWaalsContact O-N 3.08Å; P288-Q291 HydrophobicContact CB-CG 4.39Å; P288-Q291 VanDerWaalsContact CD-OE1 3.3Å; P288-Q291 WeakPolarHBondContact O-CB 3.38Å; P288-Q291 PolarHBondContact O-N 3.24Å; P288-V292 PolarHBondContact O-N 3.38Å
289L91.6Very high92.6Very high82 Ų8249.7 Ų49.743%0.42927%0.274SS..Hα-helixtrans-48.7-40.6179.1177.959.5000113P278 A282 L287 Q291 V292 D293P278-L289 HydrophobicContact CB-CD1 3.88Å; A282-L289 HydrophobicContact CB-CB 4.31Å; A282-L289 HydrophobicContact CB-CD1 4.09Å; L287-L289 PolarHBondContact O-N 2.97Å; L289-Q291 VanDerWaalsContact C-N 3.27Å; L289-Q291 PolarHBondContact O-N 3.45Å; L289-V292 CarbonylContact O-C 3.54Å; L289-V292 PolarHBondContact O-N 3.41Å; L289-V292 VanDerWaalsContact O-N 3.09Å; L289-D293 PolarHBondContact O-N 2.9Å
290L91Very high92.7Very high81 Ų8149.9 Ų49.942%0.42427%0.27SS..Hα-helixtrans-54.7-39.2176.8-177.766.3000113P288 F294P288-L290 PolarHBondContact O-N 2.97Å; P288-L290 VanDerWaalsContact O-N 3.08Å; L290-F294 HydrophobicContact CD1-CD2 4.44Å; L290-F294 HydrophobicContact CD1-CE2 4.09Å; L290-F294 HydrophobicContact CG-CE2 4.49Å; L290-F294 VanDerWaalsContact O-CD2 3.32Å; L290-F294 WeakPolarHBondContact O-CD2 3.35Å; L290-F294 PolarHBondContact O-N 3.41Å
291Q91Very high92.8Very high8 Ų853 Ų534%0.03729%0.286CS..Hα-helixtrans-72.5-39.6178.7-70.7176.6-30.800111.4F18 P24 L26 P288 L289 F294 L295F18-Q291 HydrophobicContact CE1-CG 4Å; F18-Q291 HydrophobicContact CE2-CG 4.35Å; F18-Q291 HydrophobicContact CZ-CB 4.24Å; F18-Q291 HydrophobicContact CZ-CG 3.9Å; P24-Q291 PolarHBondContact O-NE2 2.58Å; L26-Q291 HydrophobicContact CD1-CB 4.32Å; L26-Q291 HydrophobicContact CD2-CB 4.14Å; L26-Q291 HydrophobicContact CD2-CG 4.19Å; L26-Q291 HydrophobicContact CG-CG 4.41Å; P288-Q291 HydrophobicContact CB-CG 4.39Å; P288-Q291 VanDerWaalsContact CD-OE1 3.3Å; P288-Q291 WeakPolarHBondContact O-CB 3.38Å; P288-Q291 PolarHBondContact O-N 3.24Å; L289-Q291 VanDerWaalsContact C-N 3.27Å; L289-Q291 PolarHBondContact O-N 3.45Å; Q291-F294 PolarHBondContact O-N 3.32Å; Q291-L295 PolarHBondContact O-N 3.38Å
292V92.6Very high92.7Very high0 Ų054.4 Ų54.40%029%0.292CS..Hα-helixtrans-68.2-35.5177.2-178.60000111.4V34 P278 V281 A282 L287 P288 L289 L295 Y296V34-V292 HydrophobicContact CG1-CG1 4.38Å; P278-V292 HydrophobicContact CB-CG1 4.32Å; V281-V292 HydrophobicContact CB-CG1 4.03Å; V281-V292 HydrophobicContact CG1-CG1 3.85Å; A282-V292 HydrophobicContact CB-CB 4.21Å; A282-V292 HydrophobicContact CB-CG2 3.93Å; L287-V292 HydrophobicContact CB-CG2 3.88Å; L287-V292 HydrophobicContact CD1-CG2 4.27Å; P288-V292 PolarHBondContact O-N 3.38Å; L289-V292 CarbonylContact O-C 3.54Å; L289-V292 PolarHBondContact O-N 3.41Å; L289-V292 VanDerWaalsContact O-N 3.09Å; V292-L295 PolarHBondContact O-N 3.31Å; V292-Y296 VanDerWaalsContact O-CB 3.28Å; V292-Y296 WeakPolarHBondContact O-CB 3.33Å; V292-Y296 PolarHBondContact O-N 3.39Å
293D93.8Very high92.6Very high61 Ų6154.4 Ų54.433%0.32629%0.29SS..Hα-helixtrans-58.4-49173.4-85.4-31.5000112.1P278 L289 L295 Y296 Q297P278-D293 WeakPolarHBondContact CB-OD1 3.26Å; L289-D293 PolarHBondContact O-N 2.9Å; D293-L295 VanDerWaalsContact C-N 3.32Å; D293-L295 PolarHBondContact O-N 3.16Å; D293-Y296 PolarHBondContact O-N 3.33Å; D293-Q297 WeakPolarHBondContact O-CG 3.2Å; D293-Q297 PolarHBondContact O-N 3.35Å
294F93.8Very high92.5Very high74 Ų7450.2 Ų50.233%0.32527%0.27SS..Hα-helixtrans-60.8-42.2177.1-87.7-81000111.7W10 V14 F18 M21 L290 Q291 F298W10-F294 HydrophobicContact CH2-CB 4.24Å; W10-F294 HydrophobicContact CZ2-CB 4.46Å; V14-F294 HydrophobicContact CG2-CB 4.03Å; V14-F294 HydrophobicContact CG2-CD1 3.75Å; V14-F294 HydrophobicContact CG2-CE1 4.36Å; V14-F294 HydrophobicContact CG2-CG 3.89Å; F18-F294 AromaticContact CE1-CD2 3.69Å; F18-F294 HydrophobicContact CE1-CD2 3.69Å; F18-F294 HydrophobicContact CE1-CE2 4.09Å; F18-F294 HydrophobicContact CE1-CG 4.41Å; F18-F294 HydrophobicContact CZ-CB 4.08Å; F18-F294 AromaticContact CZ-CD2 3.83Å; F18-F294 HydrophobicContact CZ-CD2 3.83Å; F18-F294 HydrophobicContact CZ-CG 4.12Å; M21-F294 HydrophobicContact CE-CE2 3.85Å; M21-F294 HydrophobicContact CE-CZ 4.01Å; L290-F294 HydrophobicContact CD1-CD2 4.44Å; L290-F294 HydrophobicContact CD1-CE2 4.09Å; L290-F294 HydrophobicContact CG-CE2 4.49Å; L290-F294 VanDerWaalsContact O-CD2 3.32Å; L290-F294 WeakPolarHBondContact O-CD2 3.35Å; L290-F294 PolarHBondContact O-N 3.41Å; Q291-F294 PolarHBondContact O-N 3.32Å; F294-F298 PolarHBondContact O-N 2.86Å; F294-F298 VanDerWaalsContact O-N 3.11Å
295L94.1Very high92.5Very high1 Ų149.4 Ų49.41%0.00528%0.276CS..Hα-helixtrans-68.4-38177.2-75.4167.7000112.9W10 L26 M31 V34 Q291 V292 D293 F298 W299W10-L295 HydrophobicContact CH2-CD2 4.04Å; W10-L295 HydrophobicContact CH2-CG 4.42Å; W10-L295 HydrophobicContact CZ3-CD2 3.63Å; W10-L295 HydrophobicContact CZ3-CG 4.44Å; L26-L295 HydrophobicContact CD1-CD1 3.75Å; L26-L295 HydrophobicContact CD1-CG 4.16Å; M31-L295 HydrophobicContact CB-CD2 4.32Å; M31-L295 HydrophobicContact CE-CD2 4.35Å; M31-L295 HydrophobicContact CG-CD2 3.74Å; M31-L295 HydrophobicContact SD-CD2 4.21Å; V34-L295 HydrophobicContact CB-CD1 3.73Å; V34-L295 HydrophobicContact CG1-CB 3.81Å; V34-L295 HydrophobicContact CG1-CD1 3.66Å; V34-L295 HydrophobicContact CG1-CG 4.36Å; V34-L295 HydrophobicContact CG2-CD1 3.8Å; Q291-L295 PolarHBondContact O-N 3.38Å; V292-L295 PolarHBondContact O-N 3.31Å; D293-L295 VanDerWaalsContact C-N 3.32Å; D293-L295 PolarHBondContact O-N 3.16Å; L295-F298 PolarHBondContact O-N 3.14Å; L295-W299 VanDerWaalsContact O-CB 3.29Å; L295-W299 WeakPolarHBondContact O-CB 3.35Å; L295-W299 PolarHBondContact O-N 2.66Å
296Y95.4Very high92.3Very high20 Ų2049.6 Ų49.68%0.07828%0.277CS..Hα-helixtrans-63-43.7174.9166.1-88.1000111.4L38 Y273 V276 P278 V292 D293 F298 W299 K300L38-Y296 HydrophobicContact CD2-CD2 3.96Å; Y273-Y296 PolarHBondContact O-OH 2.74Å; V276-Y296 HydrophobicContact CB-CE2 4.3Å; V276-Y296 HydrophobicContact CG1-CD2 4.49Å; V276-Y296 VanDerWaalsContact O-CE2 3.26Å; V276-Y296 WeakPolarHBondContact O-CE2 3.45Å; P278-Y296 HydrophobicContact CG-CD1 4Å; P278-Y296 HydrophobicContact CG-CD2 3.94Å; P278-Y296 HydrophobicContact CG-CE1 4.4Å; P278-Y296 HydrophobicContact CG-CE2 4.32Å; P278-Y296 HydrophobicContact CG-CG 3.76Å; V292-Y296 VanDerWaalsContact O-CB 3.28Å; V292-Y296 WeakPolarHBondContact O-CB 3.33Å; V292-Y296 PolarHBondContact O-N 3.39Å; D293-Y296 PolarHBondContact O-N 3.33Å; Y296-F298 VanDerWaalsContact C-N 3.33Å; Y296-F298 PolarHBondContact O-N 2.96Å; Y296-W299 AromaticContact CD2-CE3 3.97Å; Y296-W299 HydrophobicContact CD2-CE3 3.97Å; Y296-W299 HydrophobicContact CD2-CZ3 4.02Å; Y296-W299 HydrophobicContact CE2-CE3 4.23Å; Y296-W299 AromaticContact CE2-CZ3 3.88Å; Y296-W299 HydrophobicContact CE2-CZ3 3.88Å; Y296-W299 PolarHBondContact O-N 3.17Å; Y296-K300 HydrophobicContact CE1-CD 4.15Å; Y296-K300 WeakPolarHBondContact O-CB 3.27Å; Y296-K300 PolarHBondContact O-N 2.74Å
297Q95.3Very high92.2Very high96 Ų9655 Ų5545%0.44928%0.281SS..Hα-helixtrans-65.2-38.1175.5-60.5-56.4-25.600111.6D293 L301D293-Q297 WeakPolarHBondContact O-CG 3.2Å; D293-Q297 PolarHBondContact O-N 3.35Å; Q297-L301 WeakPolarHBondContact O-CB 3.36Å; Q297-L301 VanDerWaalsContact O-CG 3.26Å; Q297-L301 WeakPolarHBondContact O-CG 3.4Å; Q297-L301 PolarHBondContact O-N 2.71Å
298F94.4Very high92Very high19 Ų1954.1 Ų54.18%0.08328%0.277CS..Hα-helixtrans-63.7-51.6174.6178.3-103.1000112.3D7 W10 M31 F294 L295 Y296 K300 L301 K302D7-F298 WeakPolarHBondContact OD1-CE1 3.39Å; D7-F298 WeakPolarHBondContact OD1-CZ 3.45Å; W10-F298 HydrophobicContact CB-CD2 4.22Å; W10-F298 HydrophobicContact CB-CE2 3.69Å; W10-F298 HydrophobicContact CB-CZ 4.2Å; W10-F298 AromaticContact CD1-CD2 3.52Å; W10-F298 AromaticContact CD1-CE2 3.76Å; W10-F298 HydrophobicContact CD2-CB 4.23Å; W10-F298 HydrophobicContact CD2-CD1 4.43Å; W10-F298 AromaticContact CD2-CD2 3.43Å; W10-F298 HydrophobicContact CD2-CD2 3.43Å; W10-F298 VanDerWaalsContact CD2-CD2 3.43Å; W10-F298 AromaticContact CD2-CE2 3.83Å; W10-F298 HydrophobicContact CD2-CE2 3.83Å; W10-F298 AromaticContact CD2-CG 3.77Å; W10-F298 HydrophobicContact CD2-CG 3.77Å; W10-F298 HydrophobicContact CD2-CZ 4.47Å; W10-F298 AromaticContact CE2-CD2 3.56Å; W10-F298 AromaticContact CE2-CG 3.82Å; W10-F298 HydrophobicContact CE3-CB 4.44Å; W10-F298 HydrophobicContact CE3-CD1 4.27Å; W10-F298 HydrophobicContact CE3-CD2 4.08Å; W10-F298 HydrophobicContact CE3-CE2 4.42Å; W10-F298 AromaticContact CE3-CG 3.99Å; W10-F298 HydrophobicContact CE3-CG 3.99Å; W10-F298 AromaticContact CG-CD2 3.46Å; W10-F298 HydrophobicContact CG-CD2 3.46Å; W10-F298 VanDerWaalsContact CG-CD2 3.46Å; W10-F298 AromaticContact CG-CE2 3.45Å; W10-F298 HydrophobicContact CG-CE2 3.45Å; W10-F298 VanDerWaalsContact CG-CE2 3.45Å; W10-F298 HydrophobicContact CG-CG 4.27Å; W10-F298 HydrophobicContact CG-CZ 4.26Å; W10-F298 HydrophobicContact CH2-CB 3.89Å; W10-F298 HydrophobicContact CH2-CG 4.33Å; W10-F298 HydrophobicContact CZ2-CB 3.63Å; W10-F298 HydrophobicContact CZ2-CD2 4.29Å; W10-F298 HydrophobicContact CZ2-CG 4.12Å; W10-F298 HydrophobicContact CZ3-CB 4.29Å; W10-F298 HydrophobicContact CZ3-CG 4.27Å; W10-F298 AromaticContact NE1-CD2 3.56Å; M31-F298 HydrophobicContact CE-CD1 3.76Å; M31-F298 HydrophobicContact CE-CE1 3.39Å; M31-F298 HydrophobicContact CE-CZ 4.12Å; F294-F298 PolarHBondContact O-N 2.86Å; F294-F298 VanDerWaalsContact O-N 3.11Å; L295-F298 PolarHBondContact O-N 3.14Å; Y296-F298 VanDerWaalsContact C-N 3.33Å; Y296-F298 PolarHBondContact O-N 2.96Å; F298-K300 PolarHBondContact O-N 3.37Å; F298-L301 PolarHBondContact O-N 3.35Å; F298-K302 HydrophobicContact CE1-CD 4.09Å; F298-K302 HydrophobicContact CZ-CD 4.1Å; F298-K302 WeakPolarHBondContact O-CB 3.44Å; F298-K302 PolarHBondContact O-N 3.29Å
299W94.6Very high91.6Very high0 Ų057 Ų570%029%0.285CS..Hα-helixtrans-52.4-50.6175168.773.1000112.2L35 L38 E39 C42 F272 V276 L295 Y296 L301 K302 R303L35-W299 HydrophobicContact CD2-CB 3.77Å; L35-W299 HydrophobicContact CD2-CG 4.3Å; L38-W299 HydrophobicContact CB-CD2 4.06Å; L38-W299 HydrophobicContact CB-CG 4.21Å; L38-W299 HydrophobicContact CD1-CB 3.74Å; L38-W299 HydrophobicContact CD1-CD2 4.22Å; L38-W299 HydrophobicContact CD1-CG 3.87Å; L38-W299 HydrophobicContact CD2-CE3 4.33Å; E39-W299 PolarHBondContact OE1-NE1 2.83Å; C42-W299 HydrophobicContact CB-CH2 4.05Å; C42-W299 HydrophobicContact CB-CZ2 3.88Å; F272-W299 AromaticContact CD2-CH2 3.54Å; F272-W299 HydrophobicContact CD2-CH2 3.54Å; F272-W299 AromaticContact CD2-CZ2 3.87Å; F272-W299 HydrophobicContact CD2-CZ2 3.87Å; F272-W299 HydrophobicContact CD2-CZ3 4.18Å; F272-W299 HydrophobicContact CE2-CE3 4.31Å; F272-W299 AromaticContact CE2-CH2 3.58Å; F272-W299 HydrophobicContact CE2-CH2 3.58Å; F272-W299 AromaticContact CE2-CZ2 3.81Å; F272-W299 HydrophobicContact CE2-CZ2 3.81Å; F272-W299 AromaticContact CE2-CZ3 3.84Å; F272-W299 HydrophobicContact CE2-CZ3 3.84Å; V276-W299 HydrophobicContact CB-CH2 4.17Å; V276-W299 HydrophobicContact CB-CZ3 4.2Å; V276-W299 HydrophobicContact CG2-CH2 3.67Å; V276-W299 HydrophobicContact CG2-CZ3 4.21Å; L295-W299 VanDerWaalsContact O-CB 3.29Å; L295-W299 WeakPolarHBondContact O-CB 3.35Å; L295-W299 PolarHBondContact O-N 2.66Å; Y296-W299 AromaticContact CD2-CE3 3.97Å; Y296-W299 HydrophobicContact CD2-CE3 3.97Å; Y296-W299 HydrophobicContact CD2-CZ3 4.02Å; Y296-W299 HydrophobicContact CE2-CE3 4.23Å; Y296-W299 AromaticContact CE2-CZ3 3.88Å; Y296-W299 HydrophobicContact CE2-CZ3 3.88Å; Y296-W299 PolarHBondContact O-N 3.17Å; W299-L301 VanDerWaalsContact C-N 3.34Å; W299-L301 PolarHBondContact O-N 2.94Å; W299-K302 PolarHBondContact O-N 3.3Å; W299-K302 VanDerWaalsContact O-N 3.15Å; W299-R303 PolarHBondContact O-N 2.86Å
300K94.1Very high91.3Very high49 Ų4956.2 Ų56.221%0.21328%0.284CS..Hα-helixtrans-57.5-44.4177.7176.1176.8-178.7168.50112.2F272 Y273 Y296 F298 K304F272-K300 HydrophobicContact CZ-CG 4.5Å; Y273-K300 HydrophobicContact CD1-CD 4.47Å; Y273-K300 HydrophobicContact CD1-CG 4.39Å; Y273-K300 HydrophobicContact CD2-CD 4.17Å; Y273-K300 VanDerWaalsContact CD2-CE 3.4Å; Y273-K300 HydrophobicContact CG-CD 3.89Å; Y273-K300 HydrophobicContact CG-CG 4.15Å; Y296-K300 HydrophobicContact CE1-CD 4.15Å; Y296-K300 WeakPolarHBondContact O-CB 3.27Å; Y296-K300 PolarHBondContact O-N 2.74Å; F298-K300 PolarHBondContact O-N 3.37Å; K300-K304 WeakPolarHBondContact O-CB 3.44Å; K300-K304 WeakPolarHBondContact O-CG 3.24Å; K300-K304 PolarHBondContact O-N 3.47Å
301L94.2Very high91Very high122 Ų12253.8 Ų53.864%0.63927%0.272SS*.Hα-helixtrans-68.2-39176.1-71.5170.6000111.9Q297 F298 W299 K304 A305Q297-L301 WeakPolarHBondContact O-CB 3.36Å; Q297-L301 VanDerWaalsContact O-CG 3.26Å; Q297-L301 WeakPolarHBondContact O-CG 3.4Å; Q297-L301 PolarHBondContact O-N 2.71Å; F298-L301 PolarHBondContact O-N 3.35Å; W299-L301 VanDerWaalsContact C-N 3.34Å; W299-L301 PolarHBondContact O-N 2.94Å; L301-K304 PolarHBondContact O-N 2.87Å; L301-A305 WeakPolarHBondContact O-CB 3.43Å; L301-A305 PolarHBondContact O-N 2.91Å
302K91.3Very high90.5Very high29 Ų2954.4 Ų54.413%0.12628%0.276CS..Hα-helixtrans-68.4-44.5179-166.1168.4-175.6175.40112Y1 D4 D7 F298 W299 A305 N306 L311Y1-K302 PolarHBondContact OH-NZ 3.24Å; D4-K302 IonicContact OD1-NZ 2.66Å; D4-K302 PolarHBondContact OD1-NZ 2.9Å; D4-K302 IonicContact OD2-NZ 3.17Å; D4-K302 PolarHBondContact OD2-NZ 3.37Å; D7-K302 IonicContact OD1-NZ 3.92Å; D7-K302 PolarHBondContact OD1-NZ 3.32Å; D7-K302 IonicContact OD2-NZ 2.63Å; D7-K302 PolarHBondContact OD2-NZ 2.86Å; F298-K302 HydrophobicContact CE1-CD 4.09Å; F298-K302 HydrophobicContact CZ-CD 4.1Å; F298-K302 WeakPolarHBondContact O-CB 3.44Å; F298-K302 PolarHBondContact O-N 3.29Å; W299-K302 PolarHBondContact O-N 3.3Å; W299-K302 VanDerWaalsContact O-N 3.15Å; K302-A305 PolarHBondContact O-N 3.35Å; K302-N306 WeakPolarHBondContact O-CB 3.42Å; K302-N306 PolarHBondContact O-N 3.45Å; K302-L311 HydrophobicContact CB-CD1 4.09Å; K302-L311 HydrophobicContact CD-CD1 4Å; K302-L311 HydrophobicContact CG-CD1 4.02Å; K302-L311 HydrophobicContact CG-CD2 4.06Å
303R90.8Very high89.3Confident8 Ų858.9 Ų58.93%0.0331%0.313CS..Hα-helixtrans-61.7-41.1170.2-79.2-165.371.8168.5-12.8112.3E39 C42 F272 W299 A305 N306 F307 N308 Q309 L311E39-R303 WeakPolarHBondContact OE1-CD 3.28Å; E39-R303 IonicContact OE2-CZ 3.3Å; E39-R303 IonicContact OE2-NE 3.46Å; E39-R303 IonicContact OE2-NH1 2.65Å; E39-R303 PolarHBondContact OE2-NH1 3.5Å; C42-R303 PolarHBondContact SG-NH1 3.35Å; C42-R303 VanDerWaalsContact SG-NH1 3.37Å; F272-R303 HydrophobicContact CE1-CB 4.13Å; F272-R303 HydrophobicContact CE2-CB 3.81Å; F272-R303 HydrophobicContact CE2-CG 4.25Å; F272-R303 HydrophobicContact CZ-CB 3.45Å; F272-R303 VanDerWaalsContact CZ-CB 3.45Å; F272-R303 HydrophobicContact CZ-CG 4.37Å; W299-R303 PolarHBondContact O-N 2.86Å; R303-A305 PolarHBondContact O-N 3.09Å; R303-N306 CarbonylContact O-C 3.43Å; R303-N306 VanDerWaalsContact O-C 3.29Å; R303-N306 WeakPolarHBondContact O-CA 3.49Å; R303-N306 PolarHBondContact O-N 3.38Å; R303-N306 VanDerWaalsContact O-N 3.13Å; R303-F307 PolarHBondContact O-N 3Å; R303-N308 PolarHBondContact NE-O 2.96Å; R303-N308 VanDerWaalsContact NE-O 3.09Å; R303-N308 PolarHBondContact NH2-O 3.35Å; R303-N308 VanDerWaalsContact O-CA 3.31Å; R303-N308 WeakPolarHBondContact O-CA 3.48Å; R303-N308 PolarHBondContact O-N 2.92Å; R303-Q309 PolarHBondContact NE-O 2.89Å; R303-L311 HydrophobicContact CG-CD1 4.31Å; R303-L311 HydrophobicContact CG-CD2 4.06Å; R303-L311 HydrophobicContact CG-CG 3.77Å
304K90.1Very high87.7Confident75 Ų7558.2 Ų58.233%0.32631%0.309SS..Hα-helixtrans-64.4-36.7175.2-83.2-71.6173.2-152.50113.1D270 F272 K300 L301 N306 F307 N308D270-K304 WeakPolarHBondContact O-CE 3.46Å; D270-K304 PolarHBondContact O-NZ 3.18Å; D270-K304 IonicContact OD1-NZ 3.03Å; D270-K304 PolarHBondContact OD1-NZ 3.22Å; F272-K304 HydrophobicContact CE1-CD 4.37Å; F272-K304 HydrophobicContact CE1-CG 4.13Å; F272-K304 HydrophobicContact CZ-CG 4.44Å; K300-K304 WeakPolarHBondContact O-CB 3.44Å; K300-K304 WeakPolarHBondContact O-CG 3.24Å; K300-K304 PolarHBondContact O-N 3.47Å; L301-K304 PolarHBondContact O-N 2.87Å; K304-N306 VanDerWaalsContact C-N 3.32Å; K304-F307 PolarHBondContact O-N 3.42Å; K304-N308 WeakPolarHBondContact CD-OD1 3.48Å; K304-N308 WeakPolarHBondContact CE-OD1 3.37Å; K304-N308 PolarHBondContact NZ-OD1 2.97Å
305A91.1Very high85.7Confident77 Ų7761.7 Ų61.764%0.63632%0.324SS*.Hα-helixtrans-67.2-33.1171.700000112.3L301 K302 R303 F307L301-A305 WeakPolarHBondContact O-CB 3.43Å; L301-A305 PolarHBondContact O-N 2.91Å; K302-A305 PolarHBondContact O-N 3.35Å; R303-A305 PolarHBondContact O-N 3.09Å; A305-F307 VanDerWaalsContact C-N 3.26Å; A305-F307 PolarHBondContact O-N 3Å
306N86.4Confident83.6Confident66 Ų6670.7 Ų70.735%0.35336%0.358SS..THydrogen-bonded Turntrans-87.430.8176-16137.2000113.7K302 R303 K304 N308 Q309K302-N306 WeakPolarHBondContact O-CB 3.42Å; K302-N306 PolarHBondContact O-N 3.45Å; R303-N306 CarbonylContact O-C 3.43Å; R303-N306 VanDerWaalsContact O-C 3.29Å; R303-N306 WeakPolarHBondContact O-CA 3.49Å; R303-N306 PolarHBondContact O-N 3.38Å; R303-N306 VanDerWaalsContact O-N 3.13Å; K304-N306 VanDerWaalsContact C-N 3.32Å; N306-N308 VanDerWaalsContact C-N 3.31Å; N306-N308 PolarHBondContact O-N 3.25Å; N306-Q309 WeakPolarHBondContact O-CB 3.29Å; N306-Q309 PolarHBondContact O-N 2.93Å
307F87.1Confident81.5Confident183 Ų18373.4 Ų73.480%0.80337%0.374SS*.THydrogen-bonded Turntrans51.244.8178.1-56.1-84.9000114.2R303 K304 A305 Q309R303-F307 PolarHBondContact O-N 3Å; K304-F307 PolarHBondContact O-N 3.42Å; A305-F307 VanDerWaalsContact C-N 3.26Å; A305-F307 PolarHBondContact O-N 3Å; F307-Q309 PolarHBondContact O-N 2.75Å; F307-Q309 VanDerWaalsContact O-N 3.14Å
308N86.8Confident79.4Confident23 Ų2374.5 Ų74.512%0.12338%0.379CS..THydrogen-bonded Turntrans66.5-4.7-176.1-53.1-30.3000115.9E269 D270 R303 K304 N306E269-N308 WeakPolarHBondContact O-CB 3.47Å; E269-N308 PolarHBondContact O-ND2 3.06Å; D270-N308 PolarHBondContact OD1-ND2 3.36Å; R303-N308 PolarHBondContact NE-O 2.96Å; R303-N308 VanDerWaalsContact NE-O 3.09Å; R303-N308 PolarHBondContact NH2-O 3.35Å; R303-N308 VanDerWaalsContact O-CA 3.31Å; R303-N308 WeakPolarHBondContact O-CA 3.48Å; R303-N308 PolarHBondContact O-N 2.92Å; K304-N308 WeakPolarHBondContact CD-OD1 3.48Å; K304-N308 WeakPolarHBondContact CE-OD1 3.37Å; K304-N308 PolarHBondContact NZ-OD1 2.97Å; N306-N308 VanDerWaalsContact C-N 3.31Å; N306-N308 PolarHBondContact O-N 3.25Å
309Q84.2Confident77.3Confident124 Ų12479 Ų7958%0.57941%0.407SS*.  trans-64.7140.5-176.5-64.2-166.7-15.500112R303 N306 F307R303-Q309 PolarHBondContact NE-O 2.89Å; N306-Q309 WeakPolarHBondContact O-CB 3.29Å; N306-Q309 PolarHBondContact O-N 2.93Å; F307-Q309 PolarHBondContact O-N 2.75Å; F307-Q309 VanDerWaalsContact O-N 3.14Å
310P85.7Confident75.3Confident64 Ų6482.4 Ų82.442%0.41643%0.426SS..  trans-55.7144.2174.9-2433.5000112.5V312P310-V312 VanDerWaalsContact C-N 3.35Å
311L84.3Confident73.2Confident31 Ų3183.9 Ų83.916%0.16244%0.436CS..SBendtrans-82.7-15.9174.7-52.3-177.5000112.4Y1 E39 K302 R303Y1-L311 HydrophobicContact CD2-CB 4.39Å; Y1-L311 WeakPolarHBondContact CD2-O 3.15Å; Y1-L311 HydrophobicContact CE2-CB 3.81Å; Y1-L311 WeakPolarHBondContact CE2-O 3.5Å; E39-L311 VanDerWaalsContact OE1-CB 3.25Å; E39-L311 WeakPolarHBondContact OE1-CB 3.39Å; E39-L311 VanDerWaalsContact OE1-CG 3.29Å; E39-L311 WeakPolarHBondContact OE1-CG 3.41Å; E39-L311 PolarHBondContact OE1-N 3.05Å; K302-L311 HydrophobicContact CB-CD1 4.09Å; K302-L311 HydrophobicContact CD-CD1 4Å; K302-L311 HydrophobicContact CG-CD1 4.02Å; K302-L311 HydrophobicContact CG-CD2 4.06Å; R303-L311 HydrophobicContact CG-CD1 4.31Å; R303-L311 HydrophobicContact CG-CD2 4.06Å; R303-L311 HydrophobicContact CG-CG 3.77Å
312V81.2Confident71.4Confident21 Ų2183.5 Ų83.513%0.12743%0.434CS..  trans-130.6130.1178.5-177.30000109.1Y1 V36 E39 P310 L314Y1-V312 HydrophobicContact CD2-CG2 3.67Å; Y1-V312 HydrophobicContact CG-CG2 4.08Å; V36-V312 HydrophobicContact CG2-CG2 4.19Å; E39-V312 HydrophobicContact CB-CB 4.18Å; E39-V312 HydrophobicContact CB-CG2 4.48Å; E39-V312 HydrophobicContact CG-CB 4.04Å; E39-V312 HydrophobicContact CG-CG2 4.01Å; P310-V312 VanDerWaalsContact C-N 3.35Å; V312-L314 HydrophobicContact CG1-CD2 3.71Å; V312-L314 HydrophobicContact CG1-CG 4.01Å
313A66.6Low69.7Low93 Ų9385 Ų8577%0.76945%0.452SS*.  trans-90.4112.1161.200000108.1K315A313-K315 PolarHBondContact O-N 2.67Å
314L59.8Low68Low47 Ų4787.1 Ų87.125%0.24646%0.462CS..  trans-81.5106.2-174.6-72.3168.5000110.7V36 R40 V312 R316V36-L314 HydrophobicContact CG1-CD2 4.25Å; R40-L314 VanDerWaalsContact CA-CD1 3.47Å; R40-L314 HydrophobicContact CB-CD1 3.84Å; R40-L314 HydrophobicContact CG-CD1 4.04Å; V312-L314 HydrophobicContact CG1-CD2 3.71Å; V312-L314 HydrophobicContact CG1-CG 4.01Å; L314-R316 PolarHBondContact O-N 2.86Å
315K52.2Low66.3Low147 Ų14789.4 Ų89.464%0.63947%0.474SS*.  trans-66.791.4-178.5-70.7-174175.1-174.50112.6A313 E318A313-K315 PolarHBondContact O-N 2.67Å; K315-E318 HydrophobicContact CD-CG 4.46Å; K315-E318 WeakPolarHBondContact CD-OE1 3.43Å; K315-E318 IonicContact NZ-OE1 2.79Å; K315-E318 PolarHBondContact NZ-OE1 2.77Å
316R50.2Low64.9Low191 Ų19192.7 Ų92.772%0.72148%0.476SS*.  trans-72.2-20.9150.3-82.3176.2155.6146.2-8.3112.1L314 E318L314-R316 PolarHBondContact O-N 2.86Å; R316-E318 PolarHBondContact O-N 2.79Å
317D51.7Low63.7Low76 Ų7695.5 Ų95.541%0.40649%0.487SS..Hα-helixtrans-46.1-47.9-169.4-72.3-72.8000117V319 D320 N321D317-V319 PolarHBondContact O-N 3.47Å; D317-D320 PolarHBondContact O-N 2.94Å; D317-N321 VanDerWaalsContact O-CB 3.25Å; D317-N321 WeakPolarHBondContact O-CB 3.32Å; D317-N321 PolarHBondContact O-N 3.13Å; D317-N321 PolarHBondContact O-ND2 3.3Å; D317-N321 PolarHBondContact OD1-ND2 2.7Å
318E50.4Low62.7Low120 Ų12089.7 Ų89.756%0.56147%0.465SS*.Hα-helixtrans-74.3-26.4-156.4-67.2-175.2-170.900113.9K315 R316 L322K315-E318 HydrophobicContact CD-CG 4.46Å; K315-E318 WeakPolarHBondContact CD-OE1 3.43Å; K315-E318 IonicContact NZ-OE1 2.79Å; K315-E318 PolarHBondContact NZ-OE1 2.77Å; R316-E318 PolarHBondContact O-N 2.79Å; E318-L322 WeakPolarHBondContact O-CD1 3.5Å; E318-L322 WeakPolarHBondContact O-CG 3.41Å
319V51Low62.2Low112 Ų11292.7 Ų92.768%0.67948%0.484SS*.Hα-helixtrans-82.2-47.4174.7-177.70000110.5D317 N321 L322 A323D317-V319 PolarHBondContact O-N 3.47Å; V319-N321 VanDerWaalsContact C-N 3.35Å; V319-N321 PolarHBondContact O-N 3.32Å; V319-L322 PolarHBondContact O-N 3.37Å; V319-A323 PolarHBondContact O-N 3.42Å; V319-A323 VanDerWaalsContact O-N 3.14Å
320D51.6Low61.7Low72 Ų7292.3 Ų92.339%0.38549%0.485SS..Hα-helixtrans-62.6-39.8-179.4-72.2-6.1000111.9Q102 D317 L322 A323 Q324Q102-D320 PolarHBondContact NE2-OD2 2.82Å; D317-D320 PolarHBondContact O-N 2.94Å; D320-L322 VanDerWaalsContact C-N 3.34Å; D320-L322 PolarHBondContact O-N 3.47Å; D320-A323 PolarHBondContact O-N 3.38Å; D320-Q324 WeakPolarHBondContact O-CB 3.43Å; D320-Q324 PolarHBondContact O-N 3.01Å
321N51.4Low60.9Low81 Ų8196.1 Ų96.143%0.43349%0.492SS..Hα-helixtrans-68.8-30178.1-79.3-73000112.9D317 V319 Q325D317-N321 VanDerWaalsContact O-CB 3.25Å; D317-N321 WeakPolarHBondContact O-CB 3.32Å; D317-N321 PolarHBondContact O-N 3.13Å; D317-N321 PolarHBondContact O-ND2 3.3Å; D317-N321 PolarHBondContact OD1-ND2 2.7Å; V319-N321 VanDerWaalsContact C-N 3.35Å; V319-N321 PolarHBondContact O-N 3.32Å; N321-Q325 VanDerWaalsContact O-CB 3.29Å; N321-Q325 WeakPolarHBondContact O-CB 3.44Å; N321-Q325 PolarHBondContact O-N 2.89Å
322L55.5Low60.4Low113 Ų113102.6 Ų102.659%0.59251%0.514SS*.Hα-helixtrans-71.6-47174.7-74.2171.8000111.2E318 V319 D320 Q324 Q325 E326E318-L322 WeakPolarHBondContact O-CD1 3.5Å; E318-L322 WeakPolarHBondContact O-CG 3.41Å; V319-L322 PolarHBondContact O-N 3.37Å; D320-L322 VanDerWaalsContact C-N 3.34Å; D320-L322 PolarHBondContact O-N 3.47Å; L322-Q324 VanDerWaalsContact C-N 3.31Å; L322-Q324 PolarHBondContact O-N 3.24Å; L322-Q325 PolarHBondContact O-N 3.47Å; L322-Q325 VanDerWaalsContact O-N 3.13Å; L322-E326 PolarHBondContact O-N 3.38Å; L322-E326 VanDerWaalsContact O-N 3.13Å
323A56.6Low60.2Low61 Ų61109.1 Ų109.150%0.50454%0.536SS..Hα-helixtrans-59.8-42.517400000111.5V319 D320 Q325 E326 Q327V319-A323 PolarHBondContact O-N 3.42Å; V319-A323 VanDerWaalsContact O-N 3.14Å; D320-A323 PolarHBondContact O-N 3.38Å; A323-Q325 VanDerWaalsContact C-N 3.34Å; A323-Q325 PolarHBondContact O-N 3.49Å; A323-E326 PolarHBondContact O-N 3.3Å; A323-Q327 PolarHBondContact O-N 3.03Å; A323-Q327 VanDerWaalsContact O-N 3.11Å
324Q53.5Low60.5Low53 Ų53109.7 Ų109.725%0.24853%0.526CS..Hα-helixtrans-59.7-43.1173.5-170.674.382.100111.6D320 L322 E326 Q327 D328D320-Q324 WeakPolarHBondContact O-CB 3.43Å; D320-Q324 PolarHBondContact O-N 3.01Å; L322-Q324 VanDerWaalsContact C-N 3.31Å; L322-Q324 PolarHBondContact O-N 3.24Å; Q324-E326 PolarHBondContact O-N 3.21Å; Q324-Q327 PolarHBondContact O-N 3.25Å; Q324-D328 WeakPolarHBondContact O-CB 3.47Å; Q324-D328 PolarHBondContact O-N 2.77Å
325Q55.3Low60.9Low123 Ų123112.3 Ų112.358%0.57554%0.535SS*.Hα-helixtrans-64.6-39.3-178.2-174.11748.700112.3N321 L322 A323 D328 V329N321-Q325 VanDerWaalsContact O-CB 3.29Å; N321-Q325 WeakPolarHBondContact O-CB 3.44Å; N321-Q325 PolarHBondContact O-N 2.89Å; L322-Q325 PolarHBondContact O-N 3.47Å; L322-Q325 VanDerWaalsContact O-N 3.13Å; A323-Q325 VanDerWaalsContact C-N 3.34Å; A323-Q325 PolarHBondContact O-N 3.49Å; Q325-D328 PolarHBondContact O-N 3.09Å; Q325-V329 WeakPolarHBondContact O-CG2 3.4Å; Q325-V329 PolarHBondContact O-N 3.03Å
326E61.4Low62.2Low146 Ų146111 Ų11168%0.68254%0.535SS*.Hα-helixtrans-64.8-44.6172.8-66.3-162.414800111.5L322 A323 Q324 D328 V329 L330L322-E326 PolarHBondContact O-N 3.38Å; L322-E326 VanDerWaalsContact O-N 3.13Å; A323-E326 PolarHBondContact O-N 3.3Å; Q324-E326 PolarHBondContact O-N 3.21Å; E326-D328 VanDerWaalsContact C-N 3.31Å; E326-D328 PolarHBondContact O-N 2.88Å; E326-V329 PolarHBondContact O-N 2.7Å; E326-L330 WeakPolarHBondContact O-CG 3.49Å; E326-L330 PolarHBondContact O-N 3.07Å
327Q61.6Low63.3Low125 Ų125107.5 Ų107.558%0.58453%0.525SS*.Hα-helixtrans-60.9-39.9176.6-161.7-179.632.100111.9A323 Q324 L330 Y331A323-Q327 PolarHBondContact O-N 3.03Å; A323-Q327 VanDerWaalsContact O-N 3.11Å; Q324-Q327 PolarHBondContact O-N 3.25Å; Q327-L330 PolarHBondContact O-N 3.49Å; Q327-Y331 WeakPolarHBondContact O-CB 3.31Å; Q327-Y331 PolarHBondContact O-N 3.22Å
328D65.6Low64.2Low61 Ų61107.1 Ų107.133%0.32653%0.526SS..Hα-helixtrans-64.3-41.6176.6-127.869.5000112Q324 Q325 E326 Y331 R332Q324-D328 WeakPolarHBondContact O-CB 3.47Å; Q324-D328 PolarHBondContact O-N 2.77Å; Q325-D328 PolarHBondContact O-N 3.09Å; E326-D328 VanDerWaalsContact C-N 3.31Å; E326-D328 PolarHBondContact O-N 2.88Å; D328-Y331 PolarHBondContact O-N 2.81Å; D328-R332 WeakPolarHBondContact O-CB 3.45Å; D328-R332 WeakPolarHBondContact O-CD 3.32Å; D328-R332 WeakPolarHBondContact O-CG 3.33Å; D328-R332 PolarHBondContact O-N 2.88Å; D328-R332 IonicContact OD2-CZ 3.44Å; D328-R332 VanDerWaalsContact OD2-CZ 3.23Å; D328-R332 IonicContact OD2-NE 2.74Å; D328-R332 PolarHBondContact OD2-NE 2.69Å; D328-R332 IonicContact OD2-NH2 3.74Å; D328-R332 PolarHBondContact OD2-NH2 3.37Å
329V77.5Confident65.2Low86 Ų86106.4 Ų106.452%0.52152%0.522SS..Hα-helixtrans-66.1-43175.7168.20000110.9Q325 E326 R333Q325-V329 WeakPolarHBondContact O-CG2 3.4Å; Q325-V329 PolarHBondContact O-N 3.03Å; E326-V329 PolarHBondContact O-N 2.7Å; V329-R333 WeakPolarHBondContact O-CB 3.37Å; V329-R333 PolarHBondContact O-N 2.68Å
330L72.8Confident66.6Low115 Ų115105.5 Ų105.560%0.60251%0.513SS*.Hα-helixtrans-62.6-44.2175-70.4170.9000111.7E326 Q327 R333 L334E326-L330 WeakPolarHBondContact O-CG 3.49Å; E326-L330 PolarHBondContact O-N 3.07Å; Q327-L330 PolarHBondContact O-N 3.49Å; L330-R333 PolarHBondContact O-N 2.9Å; L330-L334 WeakPolarHBondContact O-CB 3.38Å; L330-L334 PolarHBondContact O-N 2.88Å
331Y68.4Low67.9Low145 Ų145111.7 Ų111.757%0.56953%0.531SS*.Hα-helixtrans-64.2-44177.9-176.2-93.3000112.3Q327 D328 R333 L334 K335Q327-Y331 WeakPolarHBondContact O-CB 3.31Å; Q327-Y331 PolarHBondContact O-N 3.22Å; D328-Y331 PolarHBondContact O-N 2.81Å; Y331-R333 VanDerWaalsContact C-N 3.33Å; Y331-R333 PolarHBondContact O-N 3.38Å; Y331-L334 PolarHBondContact O-N 3.49Å; Y331-K335 HydrophobicContact CE1-CD 4.45Å; Y331-K335 PolarHBondContact O-N 3.3Å
332R73.9Confident68.8Low166 Ų166112 Ų11263%0.62653%0.53SS*.Hα-helixtrans-61-41.4174.5-69.2165.8-163.2-157.28111.6D328 K335 L336D328-R332 WeakPolarHBondContact O-CB 3.45Å; D328-R332 WeakPolarHBondContact O-CD 3.32Å; D328-R332 WeakPolarHBondContact O-CG 3.33Å; D328-R332 PolarHBondContact O-N 2.88Å; D328-R332 IonicContact OD2-CZ 3.44Å; D328-R332 VanDerWaalsContact OD2-CZ 3.23Å; D328-R332 IonicContact OD2-NE 2.74Å; D328-R332 PolarHBondContact OD2-NE 2.69Å; D328-R332 IonicContact OD2-NH2 3.74Å; D328-R332 PolarHBondContact OD2-NH2 3.37Å; R332-K335 PolarHBondContact O-N 3.02Å; R332-L336 PolarHBondContact O-N 3.35Å; R332-L336 VanDerWaalsContact O-N 3.1Å
333R77.1Confident69.9Low158 Ų158109.3 Ų109.360%0.59652%0.516SS*.Hα-helixtrans-65.8-39.9176.1-170.3177.6-175.1-179.51.8112.2V329 L330 Y331 L336 F337V329-R333 WeakPolarHBondContact O-CB 3.37Å; V329-R333 PolarHBondContact O-N 2.68Å; L330-R333 PolarHBondContact O-N 2.9Å; Y331-R333 VanDerWaalsContact C-N 3.33Å; Y331-R333 PolarHBondContact O-N 3.38Å; R333-L336 PolarHBondContact O-N 3.43Å; R333-F337 HydrophobicContact CG-CD2 4.17Å; R333-F337 HydrophobicContact CG-CE2 3.77Å; R333-F337 VanDerWaalsContact O-CD2 3.24Å; R333-F337 WeakPolarHBondContact O-CD2 3.03Å; R333-F337 PolarHBondContact O-N 3.4Å; R333-F337 VanDerWaalsContact O-N 3.15Å
334L72.9Confident70.9Confident106 Ų106111.7 Ų111.756%0.55552%0.52SS*.Hα-helixtrans-63.5-45.1173.7-177.561.7000111.4L330 Y331 L336 F337 T338L330-L334 WeakPolarHBondContact O-CB 3.38Å; L330-L334 PolarHBondContact O-N 2.88Å; Y331-L334 PolarHBondContact O-N 3.49Å; L334-L336 VanDerWaalsContact C-N 3.29Å; L334-L336 PolarHBondContact O-N 3.1Å; L334-F337 PolarHBondContact O-N 3.5Å; L334-F337 VanDerWaalsContact O-N 3.16Å; L334-T338 PolarHBondContact O-N 3.3Å; L334-T338 PolarHBondContact O-OG1 3.25Å
335K68.8Low72.1Confident101 Ų101113.1 Ų113.144%0.43953%0.526SS..Hα-helixtrans-60.5-37.4177.5-165165.6-172.71670112.1E155 Y331 R332 T338 H339E155-K335 IonicContact OE1-NZ 3.03Å; E155-K335 PolarHBondContact OE1-NZ 2.99Å; Y331-K335 HydrophobicContact CE1-CD 4.45Å; Y331-K335 PolarHBondContact O-N 3.3Å; R332-K335 PolarHBondContact O-N 3.02Å; K335-T338 PolarHBondContact O-N 3.46Å; K335-H339 PolarHBondContact O-N 3.4Å
336L79Confident72.8Confident121 Ų121113.3 Ų113.363%0.63452%0.522SS*.Hα-helixtrans-63.1-47.7172.9-176.566.6000112.2R332 R333 L334 T338 H339 L340R332-L336 PolarHBondContact O-N 3.35Å; R332-L336 VanDerWaalsContact O-N 3.1Å; R333-L336 PolarHBondContact O-N 3.43Å; L334-L336 VanDerWaalsContact C-N 3.29Å; L334-L336 PolarHBondContact O-N 3.1Å; L336-T338 VanDerWaalsContact C-N 3.34Å; L336-T338 PolarHBondContact O-N 3.47Å; L336-H339 PolarHBondContact O-N 3.49Å; L336-L340 WeakPolarHBondContact O-CB 3.49Å; L336-L340 PolarHBondContact O-N 2.98Å
337F73.9Confident73.6Confident116 Ų116110.2 Ų110.251%0.50951%0.513SS..Hα-helixtrans-63.8-37.4176.8-74.2-54.3000112.8R333 L334 L340 R341R333-F337 HydrophobicContact CG-CD2 4.17Å; R333-F337 HydrophobicContact CG-CE2 3.77Å; R333-F337 VanDerWaalsContact O-CD2 3.24Å; R333-F337 WeakPolarHBondContact O-CD2 3.03Å; R333-F337 PolarHBondContact O-N 3.4Å; R333-F337 VanDerWaalsContact O-N 3.15Å; L334-F337 PolarHBondContact O-N 3.5Å; L334-F337 VanDerWaalsContact O-N 3.16Å; F337-L340 PolarHBondContact O-N 2.94Å; F337-R341 WeakPolarHBondContact O-CB 3.29Å; F337-R341 PolarHBondContact O-N 3.02Å
338T69Low74.4Confident68 Ų68110.7 Ų110.742%0.41751%0.509SS..Hα-helixtrans-63.8-42.6174.7-62.40000111.7L334 K335 L336 R341 Q342L334-T338 PolarHBondContact O-N 3.3Å; L334-T338 PolarHBondContact O-OG1 3.25Å; K335-T338 PolarHBondContact O-N 3.46Å; L336-T338 VanDerWaalsContact C-N 3.34Å; L336-T338 PolarHBondContact O-N 3.47Å; T338-R341 PolarHBondContact O-N 3.44Å; T338-Q342 WeakPolarHBondContact O-CG 3.37Å; T338-Q342 PolarHBondContact O-N 3.31Å; T338-Q342 VanDerWaalsContact O-N 3.08Å
339H71.9Confident74.7Confident106 Ų106111.1 Ų111.149%0.49151%0.512SS..Hα-helixtrans-63.7-49.1175.9-159.9-69.7000111.5K335 L336 R341 Q342 D343K335-H339 PolarHBondContact O-N 3.4Å; L336-H339 PolarHBondContact O-N 3.49Å; H339-R341 VanDerWaalsContact C-N 3.29Å; H339-R341 PolarHBondContact O-N 3.07Å; H339-Q342 WeakPolarHBondContact O-CB 2.93Å; H339-Q342 PolarHBondContact O-N 3.43Å; H339-D343 IonicContact CE1-OD1 2.68Å; H339-D343 IonicContact CE1-OD2 2.73Å; H339-D343 PolarHBondContact CE1-OD2 2.89Å; H339-D343 IonicContact CG-OD2 3.08Å; H339-D343 IonicContact ND1-OD1 2.95Å; H339-D343 IonicContact ND1-OD2 2.74Å; H339-D343 PolarHBondContact ND1-OD2 3.16Å; H339-D343 PolarHBondContact O-N 3.22Å
340L80Confident74.5Confident93 Ų93112 Ų11249%0.48751%0.513SS..Hα-helixtrans-58-39.9177.8-176.664.7000112.2L336 F337 D343 L344L336-L340 WeakPolarHBondContact O-CB 3.49Å; L336-L340 PolarHBondContact O-N 2.98Å; F337-L340 PolarHBondContact O-N 2.94Å; L340-D343 PolarHBondContact O-N 3.32Å; L340-L344 HydrophobicContact CG-CD1 4.21Å; L340-L344 VanDerWaalsContact O-CG 3.29Å; L340-L344 WeakPolarHBondContact O-CG 3.34Å; L340-L344 PolarHBondContact O-N 3.08Å
341R80.6Confident74.6Confident201 Ų201109.9 Ų109.976%0.75851%0.507SS*.Hα-helixtrans-62.5-42.4173.9-179.9177.5174-179.1-2.9112F337 T338 H339 E345F337-R341 WeakPolarHBondContact O-CB 3.29Å; F337-R341 PolarHBondContact O-N 3.02Å; T338-R341 PolarHBondContact O-N 3.44Å; H339-R341 VanDerWaalsContact C-N 3.29Å; H339-R341 PolarHBondContact O-N 3.07Å; R341-E345 WeakPolarHBondContact O-CB 3.37Å; R341-E345 PolarHBondContact O-N 3.49Å
342Q69.7Low75.2Confident88 Ų88109.8 Ų109.841%0.41151%0.506SS..Hα-helixtrans-65.2-39.3176.2-69.2179.58.900111.9T338 H339 E345 R346T338-Q342 WeakPolarHBondContact O-CG 3.37Å; T338-Q342 PolarHBondContact O-N 3.31Å; T338-Q342 VanDerWaalsContact O-N 3.08Å; H339-Q342 WeakPolarHBondContact O-CB 2.93Å; H339-Q342 PolarHBondContact O-N 3.43Å; Q342-E345 PolarHBondContact O-N 3.44Å; Q342-R346 VanDerWaalsContact O-CG 3.24Å; Q342-R346 WeakPolarHBondContact O-CG 3.26Å; Q342-R346 PolarHBondContact O-N 3.1Å
343D77.8Confident74.9Confident56 Ų56107.4 Ų107.430%0.29950%0.504SS..Hα-helixtrans-68.2-41.6178.8-64-34.2000112.2H339 L340 E345 R346 V347H339-D343 IonicContact CE1-OD1 2.68Å; H339-D343 IonicContact CE1-OD2 2.73Å; H339-D343 PolarHBondContact CE1-OD2 2.89Å; H339-D343 IonicContact CG-OD2 3.08Å; H339-D343 IonicContact ND1-OD1 2.95Å; H339-D343 IonicContact ND1-OD2 2.74Å; H339-D343 PolarHBondContact ND1-OD2 3.16Å; H339-D343 PolarHBondContact O-N 3.22Å; L340-D343 PolarHBondContact O-N 3.32Å; D343-E345 VanDerWaalsContact C-N 3.28Å; D343-E345 PolarHBondContact O-N 3.31Å; D343-R346 WeakPolarHBondContact O-CB 3.3Å; D343-R346 PolarHBondContact O-N 3.34Å; D343-R346 IonicContact OD1-CZ 2.65Å; D343-R346 IonicContact OD1-NH1 2.68Å; D343-R346 PolarHBondContact OD1-NH1 3.43Å; D343-V347 WeakPolarHBondContact O-CG2 3.29Å; D343-V347 PolarHBondContact O-N 3.29Å
344L78.8Confident74.9Confident112 Ų112102.8 Ų102.859%0.58649%0.493SS*.Hα-helixtrans-61.9-36.6172.7-69.3170.7000112L340 V347 R348L340-L344 HydrophobicContact CG-CD1 4.21Å; L340-L344 VanDerWaalsContact O-CG 3.29Å; L340-L344 WeakPolarHBondContact O-CG 3.34Å; L340-L344 PolarHBondContact O-N 3.08Å; L344-V347 PolarHBondContact O-N 3.47Å; L344-R348 WeakPolarHBondContact O-CB 3.47Å; L344-R348 PolarHBondContact O-N 2.82Å
345E78.3Confident75.2Confident82 Ų82102.4 Ų102.438%0.38350%0.495SS..Hα-helixtrans-68.9-40.9174.8-165.672.4175.600112R341 Q342 D343 R348 N349R341-E345 WeakPolarHBondContact O-CB 3.37Å; R341-E345 PolarHBondContact O-N 3.49Å; Q342-E345 PolarHBondContact O-N 3.44Å; D343-E345 VanDerWaalsContact C-N 3.28Å; D343-E345 PolarHBondContact O-N 3.31Å; E345-R348 VanDerWaalsContact CD-CZ 3.41Å; E345-R348 VanDerWaalsContact CD-NH2 3.33Å; E345-R348 PolarHBondContact O-N 3.38Å; E345-R348 IonicContact OE1-CZ 2.73Å; E345-R348 IonicContact OE1-NH1 2.78Å; E345-R348 PolarHBondContact OE1-NH1 3.41Å; E345-R348 IonicContact OE1-NH2 3.68Å; E345-R348 PolarHBondContact OE1-NH2 3.46Å; E345-R348 IonicContact OE2-CZ 2.64Å; E345-R348 VanDerWaalsContact OE2-CZ 3.32Å; E345-R348 IonicContact OE2-NH1 2.74Å; E345-R348 PolarHBondContact OE2-NH1 2.84Å; E345-R348 IonicContact OE2-NH2 3.27Å; E345-N349 WeakPolarHBondContact O-CB 3.29Å; E345-N349 PolarHBondContact O-N 2.99Å; E345-N349 PolarHBondContact O-ND2 3.11Å
346R70.7Confident75.7Confident127 Ų127105.2 Ų105.248%0.47950%0.503SS..Hα-helixtrans-59.3-47.3172.4-71.8164.9-174127.910.2110.9Q342 D343 N349 L350Q342-R346 VanDerWaalsContact O-CG 3.24Å; Q342-R346 WeakPolarHBondContact O-CG 3.26Å; Q342-R346 PolarHBondContact O-N 3.1Å; D343-R346 WeakPolarHBondContact O-CB 3.3Å; D343-R346 PolarHBondContact O-N 3.34Å; D343-R346 IonicContact OD1-CZ 2.65Å; D343-R346 IonicContact OD1-NH1 2.68Å; D343-R346 PolarHBondContact OD1-NH1 3.43Å; R346-N349 PolarHBondContact O-N 3.32Å; R346-L350 WeakPolarHBondContact O-CB 3.25Å; R346-L350 PolarHBondContact O-N 3.48Å
347V77.4Confident75.8Confident82 Ų82105.4 Ų105.450%0.49750%0.495SS..Hα-helixtrans-61.9-45.8176.1170.30000111D343 L344 N349 L350 C351D343-V347 WeakPolarHBondContact O-CG2 3.29Å; D343-V347 PolarHBondContact O-N 3.29Å; L344-V347 PolarHBondContact O-N 3.47Å; V347-N349 VanDerWaalsContact C-N 3.32Å; V347-N349 PolarHBondContact O-N 3.18Å; V347-L350 PolarHBondContact O-N 2.84Å; V347-C351 WeakPolarHBondContact O-CB 3.45Å; V347-C351 PolarHBondContact O-N 3.06Å; V347-C351 PolarHBondContact O-SG 3.4Å
348R78.3Confident76.4Confident134 Ų134102.9 Ų102.951%0.50649%0.485SS..Hα-helixtrans-58.6-43.5177-164.5-159.572.7-147.4-10.5111.9L344 E345 C351 Y352L344-R348 WeakPolarHBondContact O-CB 3.47Å; L344-R348 PolarHBondContact O-N 2.82Å; E345-R348 VanDerWaalsContact CD-CZ 3.41Å; E345-R348 VanDerWaalsContact CD-NH2 3.33Å; E345-R348 PolarHBondContact O-N 3.38Å; E345-R348 IonicContact OE1-CZ 2.73Å; E345-R348 IonicContact OE1-NH1 2.78Å; E345-R348 PolarHBondContact OE1-NH1 3.41Å; E345-R348 IonicContact OE1-NH2 3.68Å; E345-R348 PolarHBondContact OE1-NH2 3.46Å; E345-R348 IonicContact OE2-CZ 2.64Å; E345-R348 VanDerWaalsContact OE2-CZ 3.32Å; E345-R348 IonicContact OE2-NH1 2.74Å; E345-R348 PolarHBondContact OE2-NH1 2.84Å; E345-R348 IonicContact OE2-NH2 3.27Å; R348-C351 PolarHBondContact O-N 3.02Å; R348-Y352 PolarHBondContact O-N 3.48Å
349N72.2Confident77.1Confident71 Ų71106.7 Ų106.738%0.3850%0.496SS..Hα-helixtrans-70-37.5179.4-67.6-16000111.8E345 R346 V347 Y352 M353E345-N349 WeakPolarHBondContact O-CB 3.29Å; E345-N349 PolarHBondContact O-N 2.99Å; E345-N349 PolarHBondContact O-ND2 3.11Å; R346-N349 PolarHBondContact O-N 3.32Å; V347-N349 VanDerWaalsContact C-N 3.32Å; V347-N349 PolarHBondContact O-N 3.18Å; N349-Y352 PolarHBondContact O-N 3.29Å; N349-M353 WeakPolarHBondContact O-CG 3.29Å; N349-M353 PolarHBondContact O-N 2.79Å
350L73.1Confident77.4Confident103 Ų103107.5 Ų107.554%0.53950%0.501SS..Hα-helixtrans-62.9-46.9172.2-178.162.1000111.5R346 V347 Y352 M353 V354R346-L350 WeakPolarHBondContact O-CB 3.25Å; R346-L350 PolarHBondContact O-N 3.48Å; V347-L350 PolarHBondContact O-N 2.84Å; L350-Y352 VanDerWaalsContact C-N 3.33Å; L350-Y352 PolarHBondContact O-N 3.15Å; L350-M353 HydrophobicContact CD1-CE 4.44Å; L350-M353 PolarHBondContact O-N 2.79Å; L350-V354 HydrophobicContact CD1-CG2 4.5Å; L350-V354 WeakPolarHBondContact O-CG2 3.4Å; L350-V354 PolarHBondContact O-N 3.03Å
351C74.3Confident77.5Confident71 Ų71107.8 Ų107.848%0.4850%0.499SS..Hα-helixtrans-56.5-46.3174-70.70000111.5V347 R348 M353 V354 T355V347-C351 WeakPolarHBondContact O-CB 3.45Å; V347-C351 PolarHBondContact O-N 3.06Å; V347-C351 PolarHBondContact O-SG 3.4Å; R348-C351 PolarHBondContact O-N 3.02Å; C351-M353 PolarHBondContact O-N 2.65Å; C351-V354 PolarHBondContact O-N 3.25Å; C351-T355 WeakPolarHBondContact O-CB 3.18Å; C351-T355 PolarHBondContact O-N 2.92Å; C351-T355 PolarHBondContact O-OG1 2.91Å; C351-T355 VanDerWaalsContact O-OG1 3.05Å
352Y81.3Confident77.7Confident143 Ų143104.2 Ų104.256%0.56149%0.494SS*.Hα-helixtrans-58-45175.4171.8-93.2000112.5R348 N349 L350 T355 R356R348-Y352 PolarHBondContact O-N 3.48Å; N349-Y352 PolarHBondContact O-N 3.29Å; L350-Y352 VanDerWaalsContact C-N 3.33Å; L350-Y352 PolarHBondContact O-N 3.15Å; Y352-T355 PolarHBondContact O-N 2.9Å; Y352-R356 WeakPolarHBondContact O-CB 3.28Å; Y352-R356 PolarHBondContact O-N 3.49Å
353M67.6Low78.4Confident117 Ų117103 Ų10358%0.57649%0.493SS*.Hα-helixtrans-64.6-40.9177.4-70.8-162.6-62.400112.4N349 L350 C351 R356 R357N349-M353 WeakPolarHBondContact O-CG 3.29Å; N349-M353 PolarHBondContact O-N 2.79Å; L350-M353 HydrophobicContact CD1-CE 4.44Å; L350-M353 PolarHBondContact O-N 2.79Å; C351-M353 PolarHBondContact O-N 2.65Å; M353-R356 PolarHBondContact O-N 3.48Å; M353-R357 WeakPolarHBondContact O-CB 3.15Å; M353-R357 PolarHBondContact O-N 3.02Å
354V78.1Confident78.5Confident61 Ų61103.4 Ų103.437%0.3750%0.495SS..Hα-helixtrans-63.9-48.9175173.60000110.7L350 C351 R356 R357 E358L350-V354 HydrophobicContact CD1-CG2 4.5Å; L350-V354 WeakPolarHBondContact O-CG2 3.4Å; L350-V354 PolarHBondContact O-N 3.03Å; C351-V354 PolarHBondContact O-N 3.25Å; V354-R356 VanDerWaalsContact C-N 3.28Å; V354-R356 PolarHBondContact O-N 3Å; V354-R357 WeakPolarHBondContact O-CB 3.26Å; V354-R357 PolarHBondContact O-N 2.9Å; V354-R357 VanDerWaalsContact O-N 3.1Å; V354-E358 HydrophobicContact CG1-CG 4.33Å; V354-E358 WeakPolarHBondContact O-CG 3.38Å; V354-E358 PolarHBondContact O-N 3.21Å
355T78.9Confident78.8Confident97 Ų97101.3 Ų101.360%0.59549%0.488SS*.Hα-helixtrans-58.5-39.4176-57.80000111.9C351 Y352 K359C351-T355 WeakPolarHBondContact O-CB 3.18Å; C351-T355 PolarHBondContact O-N 2.92Å; C351-T355 PolarHBondContact O-OG1 2.91Å; C351-T355 VanDerWaalsContact O-OG1 3.05Å; Y352-T355 PolarHBondContact O-N 2.9Å; T355-K359 VanDerWaalsContact O-CB 3.26Å; T355-K359 WeakPolarHBondContact O-CB 3.41Å; T355-K359 PolarHBondContact O-N 2.93Å
356R78.2Confident79.2Confident160 Ų160100.5 Ų100.560%0.60449%0.487SS*.Hα-helixtrans-65.8-40.9174.9-177.3173.4172.4173.7-6112.1Y352 M353 V354 M360Y352-R356 WeakPolarHBondContact O-CB 3.28Å; Y352-R356 PolarHBondContact O-N 3.49Å; M353-R356 PolarHBondContact O-N 3.48Å; V354-R356 VanDerWaalsContact C-N 3.28Å; V354-R356 PolarHBondContact O-N 3Å; R356-M360 PolarHBondContact O-N 3.38Å
357R82.6Confident79.9Confident125 Ų12599.3 Ų99.347%0.47249%0.489SS..Hα-helixtrans-63.7-49.8176.5-170.9-173.171-175.1-0.4111.7M353 V354 K359 M360 K361M353-R357 WeakPolarHBondContact O-CB 3.15Å; M353-R357 PolarHBondContact O-N 3.02Å; V354-R357 WeakPolarHBondContact O-CB 3.26Å; V354-R357 PolarHBondContact O-N 2.9Å; V354-R357 VanDerWaalsContact O-N 3.1Å; R357-K359 VanDerWaalsContact C-N 3.35Å; R357-K359 PolarHBondContact O-N 3.26Å; R357-M360 WeakPolarHBondContact O-CB 3.4Å; R357-M360 PolarHBondContact O-N 2.83Å; R357-K361 PolarHBondContact O-N 3.46Å
358E85.9Confident80.1Confident64 Ų6498 Ų9830%0.29948%0.478SS..Hα-helixtrans-67.4-35.9179.6-56.2-43.6124.300111.7V354 M360 K361 L362V354-E358 HydrophobicContact CG1-CG 4.33Å; V354-E358 WeakPolarHBondContact O-CG 3.38Å; V354-E358 PolarHBondContact O-N 3.21Å; E358-M360 VanDerWaalsContact C-N 3.34Å; E358-M360 PolarHBondContact O-N 3.49Å; E358-K361 VanDerWaalsContact CD-NZ 3.26Å; E358-K361 PolarHBondContact O-N 2.95Å; E358-K361 IonicContact OE1-NZ 2.78Å; E358-K361 PolarHBondContact OE1-NZ 2.85Å; E358-K361 VanDerWaalsContact OE2-CD 3.31Å; E358-K361 WeakPolarHBondContact OE2-CD 3.4Å; E358-K361 WeakPolarHBondContact OE2-CE 3.3Å; E358-K361 IonicContact OE2-NZ 3.72Å; E358-K361 PolarHBondContact OE2-NZ 3Å; E358-L362 WeakPolarHBondContact O-CG 3.45Å; E358-L362 PolarHBondContact O-N 3.41Å
359K82.9Confident80.6Confident148 Ų14897.1 Ų97.164%0.64348%0.479SS*.Hα-helixtrans-61.2-40.5171.4-173.4174.1-178.9178.90112.3T355 R357 L362 T363T355-K359 VanDerWaalsContact O-CB 3.26Å; T355-K359 WeakPolarHBondContact O-CB 3.41Å; T355-K359 PolarHBondContact O-N 2.93Å; R357-K359 VanDerWaalsContact C-N 3.35Å; R357-K359 PolarHBondContact O-N 3.26Å; K359-L362 PolarHBondContact O-N 3.26Å; K359-T363 PolarHBondContact O-N 3.25Å; K359-T363 VanDerWaalsContact O-N 3.09Å; K359-T363 PolarHBondContact O-OG1 3.44Å
360M79.8Confident81.3Confident122 Ų12298.7 Ų98.760%0.60148%0.483SS*.Hα-helixtrans-64.6-43.6176.8-173.463.779.400111.9R356 R357 E358 T363 L364R356-M360 PolarHBondContact O-N 3.38Å; R357-M360 WeakPolarHBondContact O-CB 3.4Å; R357-M360 PolarHBondContact O-N 2.83Å; E358-M360 VanDerWaalsContact C-N 3.34Å; E358-M360 PolarHBondContact O-N 3.49Å; M360-T363 WeakPolarHBondContact CA-OG1 3.23Å; M360-T363 PolarHBondContact O-N 3.06Å; M360-T363 PolarHBondContact O-OG1 3.3Å; M360-L364 PolarHBondContact O-N 3.27Å
361K80.5Confident81.9Confident100 Ų10097 Ų9744%0.43547%0.473SS..Hα-helixtrans-58.8-47.4173.7-68.6177.3-171.3166.30111.7R357 E358 T363 L364 C365R357-K361 PolarHBondContact O-N 3.46Å; E358-K361 VanDerWaalsContact CD-NZ 3.26Å; E358-K361 PolarHBondContact O-N 2.95Å; E358-K361 IonicContact OE1-NZ 2.78Å; E358-K361 PolarHBondContact OE1-NZ 2.85Å; E358-K361 VanDerWaalsContact OE2-CD 3.31Å; E358-K361 WeakPolarHBondContact OE2-CD 3.4Å; E358-K361 WeakPolarHBondContact OE2-CE 3.3Å; E358-K361 IonicContact OE2-NZ 3.72Å; E358-K361 PolarHBondContact OE2-NZ 3Å; K361-T363 VanDerWaalsContact C-N 3.31Å; K361-T363 PolarHBondContact O-N 3.37Å; K361-L364 WeakPolarHBondContact O-CA 3.36Å; K361-L364 WeakPolarHBondContact O-CB 3.34Å; K361-L364 PolarHBondContact O-N 3.16Å; K361-C365 PolarHBondContact O-N 3.47Å; K361-C365 PolarHBondContact O-SG 2.68Å; K361-C365 VanDerWaalsContact O-SG 3.36Å
362L84.6Confident82.5Confident126 Ų12698.7 Ų98.766%0.6647%0.473SS*.Hα-helixtrans-57.8-42.8178.5-73.1169.8000111.8E358 K359 L364 C365 D366E358-L362 WeakPolarHBondContact O-CG 3.45Å; E358-L362 PolarHBondContact O-N 3.41Å; K359-L362 PolarHBondContact O-N 3.26Å; L362-L364 VanDerWaalsContact C-N 3.32Å; L362-L364 PolarHBondContact O-N 3.25Å; L362-C365 PolarHBondContact O-N 3.22Å; L362-D366 WeakPolarHBondContact O-CB 3.2Å; L362-D366 PolarHBondContact O-N 2.86Å
363T85.4Confident82.8Confident62 Ų6296.6 Ų96.638%0.3847%0.468SS..Hα-helixtrans-68.1-28174.446.10000113.8K359 M360 K361 L367K359-T363 PolarHBondContact O-N 3.25Å; K359-T363 VanDerWaalsContact O-N 3.09Å; K359-T363 PolarHBondContact O-OG1 3.44Å; M360-T363 WeakPolarHBondContact CA-OG1 3.23Å; M360-T363 PolarHBondContact O-N 3.06Å; M360-T363 PolarHBondContact O-OG1 3.3Å; K361-T363 VanDerWaalsContact C-N 3.31Å; K361-T363 PolarHBondContact O-N 3.37Å; T363-L367 VanDerWaalsContact O-CG 3.27Å; T363-L367 WeakPolarHBondContact O-CG 3.38Å; T363-L367 PolarHBondContact O-N 3.15Å
364L80.6Confident83.7Confident65 Ų6595.7 Ų95.734%0.3447%0.465SS..Hα-helixtrans-74-41.7175.7-173.4146.2000111.3M360 K361 L362 L367 Q368 T409M360-L364 PolarHBondContact O-N 3.27Å; K361-L364 WeakPolarHBondContact O-CA 3.36Å; K361-L364 WeakPolarHBondContact O-CB 3.34Å; K361-L364 PolarHBondContact O-N 3.16Å; L362-L364 VanDerWaalsContact C-N 3.32Å; L362-L364 PolarHBondContact O-N 3.25Å; L364-L367 PolarHBondContact O-N 3.41Å; L364-Q368 HydrophobicContact CD2-CG 4.3Å; L364-Q368 WeakPolarHBondContact O-CG 3.39Å; L364-Q368 PolarHBondContact O-N 2.64Å; L364-T409 HydrophobicContact CD1-CG2 4.15Å
365C84.7Confident83.8Confident67 Ų6795.5 Ų95.545%0.45346%0.46SS..Hα-helixtrans-63.2-45.4173.7-61.50000111.9K361 L362 L367 Q368 E369K361-C365 PolarHBondContact O-N 3.47Å; K361-C365 PolarHBondContact O-SG 2.68Å; K361-C365 VanDerWaalsContact O-SG 3.36Å; L362-C365 PolarHBondContact O-N 3.22Å; C365-L367 VanDerWaalsContact C-N 3.25Å; C365-L367 PolarHBondContact O-N 3.26Å; C365-Q368 PolarHBondContact O-N 3.27Å; C365-Q368 VanDerWaalsContact O-N 3.1Å; C365-E369 WeakPolarHBondContact O-CB 3.42Å; C365-E369 PolarHBondContact O-N 2.68Å
366D86.8Confident84.1Confident65 Ų6593.5 Ų93.535%0.34845%0.445SS..Hα-helixtrans-59.3-33.2175.9166.982.9000112.7L362 K370L362-D366 WeakPolarHBondContact O-CB 3.2Å; L362-D366 PolarHBondContact O-N 2.86Å; D366-K370 VanDerWaalsContact O-CD 3.27Å; D366-K370 WeakPolarHBondContact O-CD 3.43Å; D366-K370 VanDerWaalsContact O-CG 3.24Å; D366-K370 WeakPolarHBondContact O-CG 3.24Å; D366-K370 PolarHBondContact O-N 3.06Å; D366-K370 WeakPolarHBondContact OD1-CE 3.13Å; D366-K370 IonicContact OD1-NZ 3.92Å; D366-K370 PolarHBondContact OD1-NZ 3.06Å; D366-K370 IonicContact OD2-NZ 3.26Å; D366-K370 PolarHBondContact OD2-NZ 3.4Å
367L84.5Confident84.4Confident103 Ų10391 Ų9154%0.53944%0.44SS..Hα-helixtrans-75-39.7171.9-73.7170.6000112.8T363 L364 C365 K370 I371T363-L367 VanDerWaalsContact O-CG 3.27Å; T363-L367 WeakPolarHBondContact O-CG 3.38Å; T363-L367 PolarHBondContact O-N 3.15Å; L364-L367 PolarHBondContact O-N 3.41Å; C365-L367 VanDerWaalsContact C-N 3.25Å; C365-L367 PolarHBondContact O-N 3.26Å; L367-K370 PolarHBondContact O-N 2.79Å; L367-I371 VanDerWaalsContact O-CG1 3.3Å; L367-I371 WeakPolarHBondContact O-CG1 3.43Å; L367-I371 PolarHBondContact O-N 3.12Å
368Q81.9Confident84.4Confident53 Ų5390 Ų9025%0.24844%0.444CS..Hα-helixtrans-62.6-43.7175-75.3175-36.300111.6L364 C365 K370 I371 F372L364-Q368 HydrophobicContact CD2-CG 4.3Å; L364-Q368 WeakPolarHBondContact O-CG 3.39Å; L364-Q368 PolarHBondContact O-N 2.64Å; C365-Q368 PolarHBondContact O-N 3.27Å; C365-Q368 VanDerWaalsContact O-N 3.1Å; Q368-K370 PolarHBondContact O-N 2.92Å; Q368-I371 PolarHBondContact O-N 3.1Å; Q368-F372 WeakPolarHBondContact O-CB 3.27Å; Q368-F372 PolarHBondContact O-N 3.28Å
369E87.8Confident83.9Confident117 Ų11790.8 Ų90.855%0.54745%0.45SS..Hα-helixtrans-58.9-44.5175.4-175.817716700111.6C365 F372 H373C365-E369 WeakPolarHBondContact O-CB 3.42Å; C365-E369 PolarHBondContact O-N 2.68Å; E369-F372 PolarHBondContact O-N 3.01Å; E369-H373 PolarHBondContact O-CD2 2.98Å; E369-H373 VanDerWaalsContact O-CD2 3.29Å; E369-H373 PolarHBondContact O-N 2.73Å
370K87.9Confident83.8Confident104 Ų10489.5 Ų89.545%0.45245%0.446SS..Hα-helixtrans-65.2-40.2176.4-74.1164.7-167.9165.90113.1D366 L367 Q368 H373 L374D366-K370 VanDerWaalsContact O-CD 3.27Å; D366-K370 WeakPolarHBondContact O-CD 3.43Å; D366-K370 VanDerWaalsContact O-CG 3.24Å; D366-K370 WeakPolarHBondContact O-CG 3.24Å; D366-K370 PolarHBondContact O-N 3.06Å; D366-K370 WeakPolarHBondContact OD1-CE 3.13Å; D366-K370 IonicContact OD1-NZ 3.92Å; D366-K370 PolarHBondContact OD1-NZ 3.06Å; D366-K370 IonicContact OD2-NZ 3.26Å; D366-K370 PolarHBondContact OD2-NZ 3.4Å; L367-K370 PolarHBondContact O-N 2.79Å; Q368-K370 PolarHBondContact O-N 2.92Å; K370-H373 PolarHBondContact O-N 3.33Å; K370-L374 WeakPolarHBondContact O-CG 3.11Å; K370-L374 PolarHBondContact O-N 2.9Å
371I86.6Confident83.6Confident66 Ų6690 Ų9034%0.33845%0.447SS..Hα-helixtrans-66.1-41.4176.2-66.2163.3000110.3L367 Q368 L374 Q375 W401L367-I371 VanDerWaalsContact O-CG1 3.3Å; L367-I371 WeakPolarHBondContact O-CG1 3.43Å; L367-I371 PolarHBondContact O-N 3.12Å; Q368-I371 PolarHBondContact O-N 3.1Å; I371-L374 PolarHBondContact O-N 3.07Å; I371-Q375 HydrophobicContact CG2-CG 4.42Å; I371-Q375 VanDerWaalsContact O-CG 3.28Å; I371-Q375 WeakPolarHBondContact O-CG 3.41Å; I371-Q375 PolarHBondContact O-N 3.43Å; I371-W401 HydrophobicContact CB-CH2 4.13Å; I371-W401 HydrophobicContact CD1-CH2 3.83Å; I371-W401 HydrophobicContact CD1-CZ2 4.13Å; I371-W401 HydrophobicContact CG2-CH2 3.6Å; I371-W401 HydrophobicContact CG2-CZ2 4.38Å; I371-W401 HydrophobicContact CG2-CZ3 4.14Å
372F86.1Confident83.1Confident107 Ų10791.3 Ų91.347%0.46945%0.454SS..Hα-helixtrans-62.4-43.5176.4-178.3-112.3000112.4Q368 E369 L374 Q375 I376Q368-F372 WeakPolarHBondContact O-CB 3.27Å; Q368-F372 PolarHBondContact O-N 3.28Å; E369-F372 PolarHBondContact O-N 3.01Å; F372-L374 PolarHBondContact O-N 3.43Å; F372-Q375 WeakPolarHBondContact O-CB 3.44Å; F372-Q375 PolarHBondContact O-N 2.76Å; F372-I376 HydrophobicContact CD1-CD1 3.99Å; F372-I376 HydrophobicContact CE1-CD1 3.57Å; F372-I376 HydrophobicContact CE2-CD1 4.44Å; F372-I376 HydrophobicContact CZ-CD1 3.83Å; F372-I376 WeakPolarHBondContact O-CG1 3.41Å; F372-I376 PolarHBondContact O-N 3.46Å
373H87.3Confident82.3Confident99 Ų9990.6 Ų90.646%0.45846%0.455SS..Hα-helixtrans-64.4-38.8174.6-82.4-62.2000113.3E369 K370 I376 Q377E369-H373 PolarHBondContact O-CD2 2.98Å; E369-H373 VanDerWaalsContact O-CD2 3.29Å; E369-H373 PolarHBondContact O-N 2.73Å; K370-H373 PolarHBondContact O-N 3.33Å; H373-I376 PolarHBondContact O-N 3.22Å; H373-Q377 WeakPolarHBondContact O-CG 3.48Å; H373-Q377 PolarHBondContact O-N 3.39Å
374L87.2Confident81.3Confident99 Ų9991.9 Ų91.952%0.51847%0.472SS..Hα-helixtrans-65.9-36.9173.8-73166.6000112.1K370 I371 F372 Q377 L378K370-L374 WeakPolarHBondContact O-CG 3.11Å; K370-L374 PolarHBondContact O-N 2.9Å; I371-L374 PolarHBondContact O-N 3.07Å; F372-L374 PolarHBondContact O-N 3.43Å; L374-Q377 PolarHBondContact O-N 2.96Å; L374-L378 WeakPolarHBondContact O-CG 3.28Å; L374-L378 PolarHBondContact O-N 3.46Å
375Q80.9Confident80.7Confident56 Ų5692 Ų9226%0.26248%0.483SS..Hα-helixtrans-63.4-40.5173.4-74167.9-16.600111.9I371 F372 L379I371-Q375 HydrophobicContact CG2-CG 4.42Å; I371-Q375 VanDerWaalsContact O-CG 3.28Å; I371-Q375 WeakPolarHBondContact O-CG 3.41Å; I371-Q375 PolarHBondContact O-N 3.43Å; F372-Q375 WeakPolarHBondContact O-CB 3.44Å; F372-Q375 PolarHBondContact O-N 2.76Å; Q375-L379 WeakPolarHBondContact O-CG 3.25Å; Q375-L379 PolarHBondContact O-N 2.81Å
376I83.5Confident79.4Confident55 Ų5591.5 Ų91.528%0.28249%0.489SS..Hα-helixtrans-62.5-49173.6-69.4169.2000110.7F372 H373 L378 L379 E380F372-I376 HydrophobicContact CD1-CD1 3.99Å; F372-I376 HydrophobicContact CE1-CD1 3.57Å; F372-I376 HydrophobicContact CE2-CD1 4.44Å; F372-I376 HydrophobicContact CZ-CD1 3.83Å; F372-I376 WeakPolarHBondContact O-CG1 3.41Å; F372-I376 PolarHBondContact O-N 3.46Å; H373-I376 PolarHBondContact O-N 3.22Å; I376-L378 VanDerWaalsContact C-N 3.3Å; I376-L378 PolarHBondContact O-N 3.29Å; I376-L379 PolarHBondContact O-N 3.23Å; I376-L379 VanDerWaalsContact O-N 3.07Å; I376-E380 HydrophobicContact CG2-CG 4.23Å; I376-E380 WeakPolarHBondContact O-CG 3.32Å; I376-E380 PolarHBondContact O-N 3.01Å
377Q84.9Confident77.9Confident107 Ų10795.3 Ų95.350%0.551%0.509SS..Hα-helixtrans-58.7-40.6-179.5-74.7179.5-30.800112.5H373 L374 L379 E380 E381H373-Q377 WeakPolarHBondContact O-CG 3.48Å; H373-Q377 PolarHBondContact O-N 3.39Å; L374-Q377 PolarHBondContact O-N 2.96Å; Q377-L379 PolarHBondContact O-N 3.09Å; Q377-E380 PolarHBondContact O-N 2.99Å; Q377-E381 WeakPolarHBondContact O-CG 3.35Å; Q377-E381 PolarHBondContact O-N 3.39Å
378L82.1Confident76.8Confident106 Ų10696 Ų9656%0.55552%0.523SS*.Hα-helixtrans-64.3-38.5175.6-70.5168.2000112.5L374 I376 E381 E382L374-L378 WeakPolarHBondContact O-CG 3.28Å; L374-L378 PolarHBondContact O-N 3.46Å; I376-L378 VanDerWaalsContact C-N 3.3Å; I376-L378 PolarHBondContact O-N 3.29Å; L378-E381 PolarHBondContact O-N 3.23Å; L378-E382 WeakPolarHBondContact O-CB 3.42Å; L378-E382 WeakPolarHBondContact O-CG 3.43Å; L378-E382 PolarHBondContact O-N 3.28Å
379L77.1Confident75.1Confident79 Ų79102.4 Ų102.441%0.41455%0.55SS..Hα-helixtrans-69.9-34.7175.5-68.5167.6000112.3Q375 I376 Q377 T383 L393Q375-L379 WeakPolarHBondContact O-CG 3.25Å; Q375-L379 PolarHBondContact O-N 2.81Å; I376-L379 PolarHBondContact O-N 3.23Å; I376-L379 VanDerWaalsContact O-N 3.07Å; Q377-L379 PolarHBondContact O-N 3.09Å; L379-T383 WeakPolarHBondContact O-CB 3.45Å; L379-T383 WeakPolarHBondContact O-CG2 3.44Å; L379-T383 PolarHBondContact O-N 2.87Å; L379-T383 PolarHBondContact O-OG1 3.32Å; L379-L393 HydrophobicContact CD2-CD1 4.13Å
380E79.3Confident73.4Confident121 Ų121102.7 Ų102.757%0.56556%0.564SS**Hα-helixtrans-67-39.7172.3-70.3179.3156.600111.5I376 Q377 T383 A384I376-E380 HydrophobicContact CG2-CG 4.23Å; I376-E380 WeakPolarHBondContact O-CG 3.32Å; I376-E380 PolarHBondContact O-N 3.01Å; Q377-E380 PolarHBondContact O-N 2.99Å; E380-T383 PolarHBondContact O-OG1 3.34Å; E380-A384 VanDerWaalsContact O-CB 3.26Å; E380-A384 WeakPolarHBondContact O-CB 3.2Å; E380-A384 PolarHBondContact O-N 3.43Å
381E76.5Confident71.2Confident134 Ų134106.4 Ų106.463%0.62658%0.581SS**Hα-helixtrans-69.8-43174.8-73.6-174.8171.900112.6Q377 L378 T383 A384 A385Q377-E381 WeakPolarHBondContact O-CG 3.35Å; Q377-E381 PolarHBondContact O-N 3.39Å; L378-E381 PolarHBondContact O-N 3.23Å; E381-T383 PolarHBondContact O-N 3.46Å; E381-A384 PolarHBondContact O-N 3.18Å; E381-A385 VanDerWaalsContact O-CB 3.31Å; E381-A385 WeakPolarHBondContact O-CB 3.39Å; E381-A385 PolarHBondContact O-N 3.42Å
382E69Low69.2Low126 Ų126108.3 Ų108.359%0.58960%0.598SS**Hα-helixtrans-62.9-39.7175.9-78.1-170.915700112.4L378 A385L378-E382 WeakPolarHBondContact O-CB 3.42Å; L378-E382 WeakPolarHBondContact O-CG 3.43Å; L378-E382 PolarHBondContact O-N 3.28Å; E382-A385 PolarHBondContact O-N 2.88Å
383T67.5Low67.4Low111 Ų111108.4 Ų108.468%0.68160%0.602SS**Hα-helixtrans-71.9-36.5176.350.10000112.3L379 E380 E381 A385 G386L379-T383 WeakPolarHBondContact O-CB 3.45Å; L379-T383 WeakPolarHBondContact O-CG2 3.44Å; L379-T383 PolarHBondContact O-N 2.87Å; L379-T383 PolarHBondContact O-OG1 3.32Å; E380-T383 PolarHBondContact O-OG1 3.34Å; E381-T383 PolarHBondContact O-N 3.46Å; T383-A385 VanDerWaalsContact C-N 3.32Å; T383-A385 PolarHBondContact O-N 3.14Å; T383-G386 PolarHBondContact O-N 3.21Å
384A65.6Low65.4Low89 Ų89109.7 Ų109.774%0.73661%0.608SS**Hα-helixtrans-66.1-31.3171.400000113.1E380 E381 G386E380-A384 VanDerWaalsContact O-CB 3.26Å; E380-A384 WeakPolarHBondContact O-CB 3.2Å; E380-A384 PolarHBondContact O-N 3.43Å; E381-A384 PolarHBondContact O-N 3.18Å; A384-G386 PolarHBondContact O-N 2.86Å
385A67.8Low63.5Low68 Ų68108.9 Ų108.956%0.56261%0.611SS**THydrogen-bonded Turntrans-74.3-7176.900000114.4E381 E382 T383 L387E381-A385 VanDerWaalsContact O-CB 3.31Å; E381-A385 WeakPolarHBondContact O-CB 3.39Å; E381-A385 PolarHBondContact O-N 3.42Å; E382-A385 PolarHBondContact O-N 2.88Å; T383-A385 VanDerWaalsContact C-N 3.32Å; T383-A385 PolarHBondContact O-N 3.14Å; A385-L387 VanDerWaalsContact C-N 3.3Å; A385-L387 HydrophobicContact CB-CD1 4.47Å; A385-L387 PolarHBondContact O-N 3.49Å
386G57.8Low61.9Low57 Ų57108.6 Ų108.659%0.58862%0.616SS**THydrogen-bonded Turntrans71.416.2173.400000115.5T383 A384 S388T383-G386 PolarHBondContact O-N 3.21Å; A384-G386 PolarHBondContact O-N 2.86Å; G386-S388 PolarHBondContact O-N 3.13Å
387L55.2Low60.3Low144 Ų144111.4 Ų111.475%0.75463%0.631SS**  trans-82.179.3-175.7-87161.6000112.4A385 K389A385-L387 VanDerWaalsContact C-N 3.3Å; A385-L387 HydrophobicContact CB-CD1 4.47Å; A385-L387 PolarHBondContact O-N 3.49Å; L387-K389 PolarHBondContact O-N 3.13Å
388S61Low58.6Low119 Ų119110 Ų11083%0.83262%0.623SS**  trans-73.678.6178.851.30000113.8G386G386-S388 PolarHBondContact O-N 3.13Å
389K46.2Very low57.1Low187 Ų187109.8 Ų109.881%0.81362%0.622SS**  trans-129.8124.9160-77.5-171.2177177.80111.3L387 F391L387-K389 PolarHBondContact O-N 3.13Å; K389-F391 PolarHBondContact O-N 3.47Å
390S52.1Low55.9Low122 Ų122107.9 Ų107.985%0.85362%0.616SS**  trans-68.497.6176.8420000111.6
391F41.3Very low54.4Low182 Ų182107.6 Ų107.680%0.79861%0.609SS**  trans-73.4126150.3-92.5-85.9000108.7K389 L393K389-F391 PolarHBondContact O-N 3.47Å; F391-L393 VanDerWaalsContact C-N 3.27Å; F391-L393 PolarHBondContact O-N 2.92Å
392P45.3Very low53.1Low107 Ų107105.2 Ų105.270%0.69560%0.601SS**  trans-69.994159.230.1-30.2000107.2E394P392-E394 PolarHBondContact O-N 3.11Å
393L48.7Very low52.3Low108 Ų108101.1 Ų101.157%0.56559%0.588SS**  trans-66.977.1157-89.1163.7000107.1L379 F391 S395L379-L393 HydrophobicContact CD2-CD1 4.13Å; F391-L393 VanDerWaalsContact C-N 3.27Å; F391-L393 PolarHBondContact O-N 2.92Å; L393-S395 PolarHBondContact O-N 3.43Å
394E44.1Very low51.2Low126 Ų126101.5 Ų101.559%0.58958%0.581SS**  trans-59.9127.1-179.4-163.2-179.6-98.700108.3P392 S396 L397P392-E394 PolarHBondContact O-N 3.11Å; E394-S396 WeakPolarHBondContact CG-OG 3.33Å; E394-S396 PolarHBondContact O-N 3.01Å; E394-S396 WeakPolarHBondContact OE2-CB 3.33Å; E394-S396 PolarHBondContact OE2-OG 3.34Å; E394-L397 PolarHBondContact O-N 2.91Å
395S47.4Very low50.2Low82 Ų8298.7 Ų98.757%0.57356%0.556SS**Hα-helixtrans-53.5-28.2-176.2-48.50000112.2L393 L397 F398 D399L393-S395 PolarHBondContact O-N 3.43Å; S395-L397 PolarHBondContact O-N 3.46Å; S395-F398 PolarHBondContact O-N 2.93Å; S395-D399 WeakPolarHBondContact O-CB 3.48Å; S395-D399 VanDerWaalsContact O-CG 3.29Å; S395-D399 PolarHBondContact O-N 3.18Å
396S48.3Very low49.2Very low51 Ų5199.9 Ų99.936%0.35756%0.555SS.*Hα-helixtrans-47.4-30.4171.472.30000114.8E394 S400E394-S396 WeakPolarHBondContact CG-OG 3.33Å; E394-S396 PolarHBondContact O-N 3.01Å; E394-S396 WeakPolarHBondContact OE2-CB 3.33Å; E394-S396 PolarHBondContact OE2-OG 3.34Å; S396-S400 WeakPolarHBondContact O-CA 3.29Å; S396-S400 WeakPolarHBondContact O-CB 3.34Å; S396-S400 PolarHBondContact O-N 2.9Å
397L49.2Very low48.7Very low114 Ų114102.2 Ų102.260%0.59755%0.551SS**Hα-helixtrans-77.8-43.6177.5-81.3168.2000112.3E394 S395 W401E394-L397 PolarHBondContact O-N 2.91Å; S395-L397 PolarHBondContact O-N 3.46Å; L397-W401 WeakPolarHBondContact O-CB 3.31Å; L397-W401 PolarHBondContact O-N 2.74Å
398F50.3Low48.2Very low77 Ų77100.9 Ų100.934%0.33854%0.543SS..Hα-helixtrans-66.6-48173.2-96.7-91000110.7S395 W401 L402S395-F398 PolarHBondContact O-N 2.93Å; F398-W401 PolarHBondContact O-N 2.76Å; F398-L402 WeakPolarHBondContact O-CB 3.31Å; F398-L402 PolarHBondContact O-N 2.61Å
399D50.6Low47.6Very low102 Ų10298.3 Ų98.355%0.54552%0.523SS..Hα-helixtrans-60.8-47.1177.4-66.3-36000111.1S395 W401 A403S395-D399 WeakPolarHBondContact O-CB 3.48Å; S395-D399 VanDerWaalsContact O-CG 3.29Å; S395-D399 PolarHBondContact O-N 3.18Å; D399-W401 VanDerWaalsContact C-N 3.34Å; D399-W401 PolarHBondContact O-N 3.38Å; D399-A403 WeakPolarHBondContact O-CB 3.33Å; D399-A403 PolarHBondContact O-N 2.8Å
400S49.9Very low47.5Very low39 Ų3991.5 Ų91.527%0.27350%0.502SS..Hα-helixtrans-69.7-27.3178.3-178.90000113.2S396 K404S396-S400 WeakPolarHBondContact O-CA 3.29Å; S396-S400 WeakPolarHBondContact O-CB 3.34Å; S396-S400 PolarHBondContact O-N 2.9Å; S400-K404 WeakPolarHBondContact O-CB 3.33Å; S400-K404 WeakPolarHBondContact O-CG 3.46Å; S400-K404 PolarHBondContact O-N 2.93Å; S400-K404 WeakPolarHBondContact OG-CD 3.35Å; S400-K404 WeakPolarHBondContact OG-CE 3.37Å; S400-K404 PolarHBondContact OG-NZ 3.4Å
401W49.4Very low47.1Very low114 Ų11490.1 Ų90.143%0.43249%0.485SS..Hα-helixtrans-81.8-41.4-179.7-171.367.1000111.6I371 L397 F398 D399 S405I371-W401 HydrophobicContact CB-CH2 4.13Å; I371-W401 HydrophobicContact CD1-CH2 3.83Å; I371-W401 HydrophobicContact CD1-CZ2 4.13Å; I371-W401 HydrophobicContact CG2-CH2 3.6Å; I371-W401 HydrophobicContact CG2-CZ2 4.38Å; I371-W401 HydrophobicContact CG2-CZ3 4.14Å; L397-W401 WeakPolarHBondContact O-CB 3.31Å; L397-W401 PolarHBondContact O-N 2.74Å; F398-W401 PolarHBondContact O-N 2.76Å; D399-W401 VanDerWaalsContact C-N 3.34Å; D399-W401 PolarHBondContact O-N 3.38Å; W401-S405 WeakPolarHBondContact O-CB 3.24Å; W401-S405 PolarHBondContact O-N 3.36Å; W401-S405 PolarHBondContact O-OG 3.32Å
402L49.3Very low47.2Very low85 Ų8585.9 Ų85.945%0.44547%0.47SS..Hα-helixtrans-65.3-45.4171.1-72.1167.3000111.4F398 S405 V406F398-L402 WeakPolarHBondContact O-CB 3.31Å; F398-L402 PolarHBondContact O-N 2.61Å; L402-S405 PolarHBondContact O-OG 3.09Å; L402-V406 WeakPolarHBondContact O-CG2 3.47Å; L402-V406 PolarHBondContact O-N 3.26Å
403A50.9Low47Very low40 Ų4086.2 Ų86.233%0.33146%0.464SS..Hα-helixtrans-62.1-50.5176.100000112D399 S405 V406 Q407D399-A403 WeakPolarHBondContact O-CB 3.33Å; D399-A403 PolarHBondContact O-N 2.8Å; A403-S405 PolarHBondContact O-N 3.02Å; A403-V406 PolarHBondContact O-N 2.94Å; A403-Q407 WeakPolarHBondContact O-CB 3.32Å; A403-Q407 VanDerWaalsContact O-CG 3.28Å; A403-Q407 WeakPolarHBondContact O-CG 3.22Å; A403-Q407 PolarHBondContact O-N 3.25Å; A403-Q407 PolarHBondContact O-OE1 3.48Å
404K45.2Very low46.8Very low119 Ų11986.4 Ų86.452%0.51747%0.465SS..Hα-helixtrans-66.3-34.4-178.3-75.7173.9179.1143.50113.4S400 V406 Q407 I408S400-K404 WeakPolarHBondContact O-CB 3.33Å; S400-K404 WeakPolarHBondContact O-CG 3.46Å; S400-K404 PolarHBondContact O-N 2.93Å; S400-K404 WeakPolarHBondContact OG-CD 3.35Å; S400-K404 WeakPolarHBondContact OG-CE 3.37Å; S400-K404 PolarHBondContact OG-NZ 3.4Å; K404-V406 VanDerWaalsContact C-N 3.35Å; K404-Q407 PolarHBondContact O-N 3.29Å; K404-I408 HydrophobicContact CB-CD1 4.29Å; K404-I408 VanDerWaalsContact O-CB 3.27Å; K404-I408 WeakPolarHBondContact O-CB 3.42Å; K404-I408 WeakPolarHBondContact O-CD1 3.31Å; K404-I408 WeakPolarHBondContact O-CG1 3.3Å; K404-I408 PolarHBondContact O-N 3.43Å
405S45.2Very low46.7Very low30 Ų3083.9 Ų83.921%0.2146%0.461CS..Hα-helixtrans-68.5-34.6177.551.90000112.5W401 L402 A403 T409W401-S405 WeakPolarHBondContact O-CB 3.24Å; W401-S405 PolarHBondContact O-N 3.36Å; W401-S405 PolarHBondContact O-OG 3.32Å; L402-S405 PolarHBondContact O-OG 3.09Å; A403-S405 PolarHBondContact O-N 3.02Å; S405-T409 PolarHBondContact O-OG1 3.18Å
406V45.6Very low46.3Very low92 Ų9286.4 Ų86.456%0.55846%0.464SS*.Hα-helixtrans-73.5-38.5171.5176.10000112L402 A403 K404 T409 A410L402-V406 WeakPolarHBondContact O-CG2 3.47Å; L402-V406 PolarHBondContact O-N 3.26Å; A403-V406 PolarHBondContact O-N 2.94Å; K404-V406 VanDerWaalsContact C-N 3.35Å; V406-T409 PolarHBondContact O-OG1 2.88Å; V406-T409 VanDerWaalsContact O-OG1 3.08Å; V406-A410 PolarHBondContact O-N 3.4Å; V406-A410 VanDerWaalsContact O-N 3.1Å
407Q46.8Very low46Very low107 Ų10794.5 Ų94.550%0.549%0.487SS..Hα-helixtrans-73.5-43.6-178.9-73.9165.2-32.100112.4A403 K404 T409 A410 D411A403-Q407 WeakPolarHBondContact O-CB 3.32Å; A403-Q407 VanDerWaalsContact O-CG 3.28Å; A403-Q407 WeakPolarHBondContact O-CG 3.22Å; A403-Q407 PolarHBondContact O-N 3.25Å; A403-Q407 PolarHBondContact O-OE1 3.48Å; K404-Q407 PolarHBondContact O-N 3.29Å; Q407-T409 VanDerWaalsContact C-N 3.25Å; Q407-T409 PolarHBondContact O-N 2.88Å; Q407-A410 PolarHBondContact O-N 2.81Å; Q407-A410 VanDerWaalsContact O-N 3.1Å; Q407-D411 WeakPolarHBondContact O-CB 3.44Å; Q407-D411 PolarHBondContact O-N 3.4Å
408I44.8Very low45.3Very low115 Ų11592.6 Ų92.659%0.5949%0.488SS*.Hα-helixtrans-60.2-36.6176-69.1164.7000111.2K404 D412K404-I408 HydrophobicContact CB-CD1 4.29Å; K404-I408 VanDerWaalsContact O-CB 3.27Å; K404-I408 WeakPolarHBondContact O-CB 3.42Å; K404-I408 WeakPolarHBondContact O-CD1 3.31Å; K404-I408 WeakPolarHBondContact O-CG1 3.3Å; K404-I408 PolarHBondContact O-N 3.43Å; I408-D412 VanDerWaalsContact O-CB 3.32Å; I408-D412 WeakPolarHBondContact O-CB 3.36Å; I408-D412 PolarHBondContact O-N 3.01Å; I408-D412 VanDerWaalsContact O-N 3.11Å
409T49.5Very low44.5Very low65 Ų6597 Ų9740%0.39951%0.514SS..Hα-helixtrans-76.8-25.8176.948.50000113.7L364 S405 V406 Q407 M413L364-T409 HydrophobicContact CD1-CG2 4.15Å; S405-T409 PolarHBondContact O-OG1 3.18Å; V406-T409 PolarHBondContact O-OG1 2.88Å; V406-T409 VanDerWaalsContact O-OG1 3.08Å; Q407-T409 VanDerWaalsContact C-N 3.25Å; Q407-T409 PolarHBondContact O-N 2.88Å; T409-M413 VanDerWaalsContact O-CG 3.3Å; T409-M413 WeakPolarHBondContact O-CG 3.47Å
410A43Very low43.8Very low45 Ų4595.9 Ų95.937%0.37253%0.526SS..Hα-helixtrans-76.4-49.7170.200000111.9V406 Q407 M413 L414V406-A410 PolarHBondContact O-N 3.4Å; V406-A410 VanDerWaalsContact O-N 3.1Å; Q407-A410 PolarHBondContact O-N 2.81Å; Q407-A410 VanDerWaalsContact O-N 3.1Å; A410-M413 PolarHBondContact O-N 3.09Å; A410-L414 WeakPolarHBondContact O-CB 3.47Å; A410-L414 VanDerWaalsContact O-CG 3.29Å; A410-L414 WeakPolarHBondContact O-CG 3.32Å; A410-L414 PolarHBondContact O-N 3.48Å
411D43.9Very low42.8Very low93 Ų9397.4 Ų97.450%0.49755%0.548SS..Hα-helixtrans-72-35.1-172.4-70.6-31.5000112.8Q407 S415Q407-D411 WeakPolarHBondContact O-CB 3.44Å; Q407-D411 PolarHBondContact O-N 3.4Å; D411-S415 WeakPolarHBondContact O-CB 3.38Å; D411-S415 PolarHBondContact O-N 3.02Å; D411-S415 PolarHBondContact O-OG 3.34Å
412D43.7Very low42.2Very low92 Ų92101.2 Ų101.249%0.49257%0.571SS.*Hα-helixtrans-70.2-39.6174.5-173.739.7000111.5I408 Q416I408-D412 VanDerWaalsContact O-CB 3.32Å; I408-D412 WeakPolarHBondContact O-CB 3.36Å; I408-D412 PolarHBondContact O-N 3.01Å; I408-D412 VanDerWaalsContact O-N 3.11Å; D412-Q416 WeakPolarHBondContact O-CG 3.46Å; D412-Q416 PolarHBondContact O-N 2.85Å; D412-Q416 PolarHBondContact OD1-NE2 3.11Å; D412-Q416 PolarHBondContact OD2-NE2 3.47Å
413M41.8Very low41.4Very low115 Ų115105.6 Ų105.657%0.56759%0.589SS**Hα-helixtrans-67.1-36.2174.3-71.4-165.871.200112.8T409 A410T409-M413 VanDerWaalsContact O-CG 3.3Å; T409-M413 WeakPolarHBondContact O-CG 3.47Å; A410-M413 PolarHBondContact O-N 3.09Å
414L43.8Very low40.5Very low111 Ų111109.6 Ų109.658%0.58160%0.604SS**Hα-helixtrans-75.9-41.8175.8-73.3168.9000112A410 Q416 W417 A418A410-L414 WeakPolarHBondContact O-CB 3.47Å; A410-L414 VanDerWaalsContact O-CG 3.29Å; A410-L414 WeakPolarHBondContact O-CG 3.32Å; A410-L414 PolarHBondContact O-N 3.48Å; L414-Q416 VanDerWaalsContact C-N 3.31Å; L414-Q416 PolarHBondContact O-N 2.99Å; L414-W417 CarbonylContact O-C 3.51Å; L414-W417 PolarHBondContact O-N 3.31Å; L414-A418 WeakPolarHBondContact O-CB 3.44Å; L414-A418 PolarHBondContact O-N 2.84Å
415S42.1Very low40.1Very low74 Ų74111.3 Ų111.352%0.51762%0.619SS.*Hα-helixtrans-64.1-34.7-176.7-63.80000112.8D411 W417D411-S415 WeakPolarHBondContact O-CB 3.38Å; D411-S415 PolarHBondContact O-N 3.02Å; D411-S415 PolarHBondContact O-OG 3.34Å; S415-W417 PolarHBondContact O-N 2.66Å
416Q38.4Very low39.8Very low135 Ų135117.9 Ų117.963%0.63165%0.647SS**THydrogen-bonded Turntrans-70-18.8174.2-67.6177.431.400113.1D412 L414D412-Q416 WeakPolarHBondContact O-CG 3.46Å; D412-Q416 PolarHBondContact O-N 2.85Å; D412-Q416 PolarHBondContact OD1-NE2 3.11Å; D412-Q416 PolarHBondContact OD2-NE2 3.47Å; L414-Q416 VanDerWaalsContact C-N 3.31Å; L414-Q416 PolarHBondContact O-N 2.99Å
417W43.6Very low39.4Very low220 Ų220123.3 Ų123.383%0.83366%0.657SS**THydrogen-bonded Turntrans-110.5-15.4-176.9-73.233.2000113.2L414 S415 L419L414-W417 CarbonylContact O-C 3.51Å; L414-W417 PolarHBondContact O-N 3.31Å; S415-W417 PolarHBondContact O-N 2.66Å; W417-L419 PolarHBondContact O-N 3.38Å
418A32.6Very low38.8Very low74 Ų74122.6 Ų122.661%0.61266%0.664SS**  trans-83.9-3-174.800000115.1L414 G420L414-A418 WeakPolarHBondContact O-CB 3.44Å; L414-A418 PolarHBondContact O-N 2.84Å; A418-G420 PolarHBondContact O-N 2.97Å
419L34.3Very low38.4Very low171 Ų171121 Ų12190%0.89566%0.663SS**THydrogen-bonded Turntrans-79.658.7174-72.1178.6000112.4W417W417-L419 PolarHBondContact O-N 3.38Å
420G36.1Very low37.9Very low77 Ų77123.4 Ų123.479%0.79467%0.673SS**THydrogen-bonded Turntrans160.550.3170.700000119A418A418-G420 PolarHBondContact O-N 2.97Å
421G29.8Very low37.6Very low72 Ų72127.3 Ų127.374%0.74269%0.687SS**  trans172.298.7167.300000117.4
422Q35.3Very low37.6Very low193 Ų193126.4 Ų126.490%0.90269%0.688SS**  trans-128.692.1158.6-79.6-170.8-18.700110
423H33.8Very low37.3Very low177 Ų177126.1 Ų126.182%0.81969%0.686SS**SBendtrans-175.8148.8136.4-116.3-85.7000113.1
424D31.8Very low37.4Very low124 Ų124127 Ų12766%0.66369%0.689SS**  trans62.183.8161.5-64.44.9000120Q426D424-Q426 PolarHBondContact O-N 3.37Å
425D36.3Very low37.1Very low155 Ų155127.2 Ų127.283%0.82969%0.69SS**G310 helixtrans-63.33.2167.7-88-59.6000116.1R427 S428D425-R427 PolarHBondContact O-N 3.13Å; D425-S428 PolarHBondContact O-N 3.44Å
426Q39.1Very low37.1Very low169 Ų169129.5 Ų129.579%0.7969%0.694SS**G310 helixtrans-72.9-0.3-170.8-162.2134.155.300114.8D424D424-Q426 PolarHBondContact O-N 3.37Å
427R36.7Very low37.4Very low205 Ų205128.7 Ų128.777%0.77469%0.69SS**G310 helixtrans-93.9-19.1177.6-76.4-175.9171.8174.40.8115.2D425 S429 L430D425-R427 PolarHBondContact O-N 3.13Å; R427-S429 PolarHBondContact O-N 3.49Å; R427-L430 PolarHBondContact O-N 3.03Å
428S33.9Very low37.5Very low92 Ų92119.8 Ų119.864%0.64367%0.667SS**Hα-helixtrans-61.2-47.8-176.3-172.60000111.8D425 L430 L431D425-S428 PolarHBondContact O-N 3.44Å; S428-L430 VanDerWaalsContact C-N 3.34Å; S428-L430 PolarHBondContact O-N 3.44Å; S428-L431 PolarHBondContact O-N 2.88Å
429S36.4Very low38.2Very low81 Ų81121.4 Ų121.457%0.56666%0.662SS**Hα-helixtrans-57.9-41.3-179.5-164.30000113.5R427 L431 S432R427-S429 PolarHBondContact O-N 3.49Å; S429-L431 VanDerWaalsContact C-N 3.32Å; S429-L431 PolarHBondContact O-N 3.08Å; S429-S432 PolarHBondContact O-N 3.48Å
430L38.7Very low38.6Very low116 Ų116119.9 Ų119.961%0.60765%0.65SS**Hα-helixtrans-74.2-21.7-173.5-68.8172000113.4R427 S428 Q434R427-L430 PolarHBondContact O-N 3.03Å; S428-L430 VanDerWaalsContact C-N 3.34Å; S428-L430 PolarHBondContact O-N 3.44Å; L430-Q434 WeakPolarHBondContact O-CB 3.46Å; L430-Q434 PolarHBondContact O-N 2.95Å
431L37Very low39.2Very low127 Ų127119.4 Ų119.467%0.66564%0.635SS**Hα-helixtrans-77.4-30.3176.5-72.8167.6000112.1S428 S429 L435S428-L431 PolarHBondContact O-N 2.88Å; S429-L431 VanDerWaalsContact C-N 3.32Å; S429-L431 PolarHBondContact O-N 3.08Å; L431-L435 WeakPolarHBondContact O-CB 3.24Å; L431-L435 PolarHBondContact O-N 3.15Å
432S43.5Very low39.8Very low74 Ų74121.2 Ų121.252%0.51763%0.627SS.*Hα-helixtrans-67.4-49.1176.8-164.30000111.5S429 Q434 L435 M436S429-S432 PolarHBondContact O-N 3.48Å; S432-Q434 VanDerWaalsContact C-N 3.32Å; S432-Q434 PolarHBondContact O-N 2.98Å; S432-L435 PolarHBondContact O-N 3.3Å; S432-M436 PolarHBondContact O-N 3.38Å
433D38.4Very low40.3Very low86 Ų86117.7 Ų117.746%0.4661%0.614SS.*Hα-helixtrans-64.7-36.9-179.9-62.5-27.3000112.2L435 Q437D433-L435 VanDerWaalsContact C-N 3.33Å; D433-L435 PolarHBondContact O-N 3.25Å; D433-Q437 VanDerWaalsContact O-CG 3.3Å; D433-Q437 WeakPolarHBondContact O-CG 3.31Å; D433-Q437 PolarHBondContact O-N 2.96Å
434Q43.3Very low40.8Very low133 Ų133114.1 Ų114.162%0.62160%0.6SS**Hα-helixtrans-69.9-28.9178.7-160.9100.798.500112.5L430 S432 G438L430-Q434 WeakPolarHBondContact O-CB 3.46Å; L430-Q434 PolarHBondContact O-N 2.95Å; S432-Q434 VanDerWaalsContact C-N 3.32Å; S432-Q434 PolarHBondContact O-N 2.98Å; Q434-G438 PolarHBondContact O-N 3.27Å
435L38.6Very low41.5Very low116 Ų116112.5 Ų112.561%0.60759%0.592SS**Hα-helixtrans-73.2-47.8178.3-164.469000111L431 S432 D433 Q437 G438 E439L431-L435 WeakPolarHBondContact O-CB 3.24Å; L431-L435 PolarHBondContact O-N 3.15Å; S432-L435 PolarHBondContact O-N 3.3Å; D433-L435 VanDerWaalsContact C-N 3.33Å; D433-L435 PolarHBondContact O-N 3.25Å; L435-Q437 VanDerWaalsContact C-N 3.27Å; L435-Q437 PolarHBondContact O-N 3.07Å; L435-G438 PolarHBondContact O-N 3.14Å; L435-E439 PolarHBondContact O-N 3.47Å
436M42.5Very low41.8Very low122 Ų122111.8 Ų111.860%0.60159%0.585SS**Hα-helixtrans-57-39.4177-65.3-61.1-62.500112.5S432 G438 E439 E440S432-M436 PolarHBondContact O-N 3.38Å; M436-G438 VanDerWaalsContact C-N 3.28Å; M436-G438 PolarHBondContact O-N 3.04Å; M436-E439 PolarHBondContact O-N 3.36Å; M436-E440 PolarHBondContact O-N 2.85Å
437Q43.7Very low42.4Very low118 Ų118110.7 Ų110.755%0.55158%0.582SS**Hα-helixtrans-66.5-26.8176.7-70.7167.515.700113.4D433 L435 S441D433-Q437 VanDerWaalsContact O-CG 3.3Å; D433-Q437 WeakPolarHBondContact O-CG 3.31Å; D433-Q437 PolarHBondContact O-N 2.96Å; L435-Q437 VanDerWaalsContact C-N 3.27Å; L435-Q437 PolarHBondContact O-N 3.07Å; Q437-S441 PolarHBondContact O-N 3.12Å
438G45.2Very low42.9Very low34 Ų34107.3 Ų107.335%0.35158%0.575SS.*Hα-helixtrans-71-35.4175.800000112.9Q434 L435 M436 L442Q434-G438 PolarHBondContact O-N 3.27Å; L435-G438 PolarHBondContact O-N 3.14Å; M436-G438 VanDerWaalsContact C-N 3.28Å; M436-G438 PolarHBondContact O-N 3.04Å; G438-L442 PolarHBondContact O-N 3.44Å
439E47.9Very low43.2Very low107 Ų107109.1 Ų109.150%0.558%0.577SS.*Hα-helixtrans-73.4-43-176.8-64-175.3179.200112.1L435 M436 S441 L442 L443L435-E439 PolarHBondContact O-N 3.47Å; M436-E439 PolarHBondContact O-N 3.36Å; E439-S441 VanDerWaalsContact C-N 3.31Å; E439-S441 PolarHBondContact O-N 3.02Å; E439-L442 PolarHBondContact O-N 3.34Å; E439-L443 WeakPolarHBondContact O-CG 3.2Å; E439-L443 PolarHBondContact O-N 3.2Å
440E42Very low43.4Very low139 Ų139109.5 Ų109.565%0.6558%0.579SS**Hα-helixtrans-62.4-37173.2-66.8-167151.600112.5M436 N444M436-E440 PolarHBondContact O-N 2.85Å; E440-N444 PolarHBondContact O-N 2.87Å; E440-N444 VanDerWaalsContact O-N 3.1Å; E440-N444 PolarHBondContact O-ND2 2.86Å; E440-N444 VanDerWaalsContact O-ND2 3.12Å
441S48.7Very low43.4Very low67 Ų67111.5 Ų111.547%0.46959%0.587SS.*Hα-helixtrans-67.5-39.4176.9-1720000112Q437 E439 L445Q437-S441 PolarHBondContact O-N 3.12Å; E439-S441 VanDerWaalsContact C-N 3.31Å; E439-S441 PolarHBondContact O-N 3.02Å; S441-L445 WeakPolarHBondContact O-CB 3.36Å; S441-L445 WeakPolarHBondContact O-CG 3.48Å; S441-L445 PolarHBondContact O-N 2.8Å
442L43.5Very low43.4Very low110 Ų110113.5 Ų113.558%0.57659%0.594SS**Hα-helixtrans-64.4-44.1174.4-93.3164000112.5G438 E439 L445 M446G438-L442 PolarHBondContact O-N 3.44Å; E439-L442 PolarHBondContact O-N 3.34Å; L442-L445 PolarHBondContact O-N 3.3Å; L442-M446 WeakPolarHBondContact O-CG 3.39Å; L442-M446 PolarHBondContact O-N 3.17Å
443L45.3Very low42.7Very low120 Ų120115.6 Ų115.663%0.62861%0.608SS**Hα-helixtrans-65-42.1179.7-70.6171.4000112E439 M446 M447E439-L443 WeakPolarHBondContact O-CG 3.2Å; E439-L443 PolarHBondContact O-N 3.2Å; L443-M446 PolarHBondContact O-N 3.41Å; L443-M447 PolarHBondContact O-N 3.38Å; L443-M447 VanDerWaalsContact O-N 3.13Å
444N44.7Very low42.4Very low101 Ų101115.3 Ų115.354%0.5462%0.617SS.*Hα-helixtrans-62.5-46.5173.7-77.6-44.9000112E440 M446 M447 E448E440-N444 PolarHBondContact O-N 2.87Å; E440-N444 VanDerWaalsContact O-N 3.1Å; E440-N444 PolarHBondContact O-ND2 2.86Å; E440-N444 VanDerWaalsContact O-ND2 3.12Å; N444-M446 VanDerWaalsContact C-N 3.28Å; N444-M446 PolarHBondContact O-N 3.26Å; N444-M447 PolarHBondContact O-N 2.9Å; N444-E448 PolarHBondContact O-N 3.12Å
445L46.9Very low41.8Very low91 Ų91120.5 Ų120.548%0.47663%0.632SS.*Hα-helixtrans-61.4-33.2177.5-82.6166.4000113.4S441 L442 N449S441-L445 WeakPolarHBondContact O-CB 3.36Å; S441-L445 WeakPolarHBondContact O-CG 3.48Å; S441-L445 PolarHBondContact O-N 2.8Å; L442-L445 PolarHBondContact O-N 3.3Å; L445-N449 PolarHBondContact O-ND2 3.2Å
446M42.2Very low41.2Very low139 Ų139125.2 Ų125.269%0.68565%0.647SS**Hα-helixtrans-72.6-28173.9-74.1-178.565.900112.9L442 L443 N444L442-M446 WeakPolarHBondContact O-CG 3.39Å; L442-M446 PolarHBondContact O-N 3.17Å; L443-M446 PolarHBondContact O-N 3.41Å; N444-M446 VanDerWaalsContact C-N 3.28Å; N444-M446 PolarHBondContact O-N 3.26Å
447M51.3Low40.6Very low147 Ų147125.8 Ų125.872%0.72466%0.658SS**Hα-helixtrans-83.7-40.7-179.4-153.1166.2-15500112.6L443 N444 S450L443-M447 PolarHBondContact O-N 3.38Å; L443-M447 VanDerWaalsContact O-N 3.13Å; N444-M447 PolarHBondContact O-N 2.9Å; M447-S450 PolarHBondContact O-N 3Å
448E46.5Very low40Very low134 Ų134125.6 Ų125.663%0.62667%0.667SS**Hα-helixtrans-68-41-179.2-68.8-169.6127.400113.2N444 S450 M451N444-E448 PolarHBondContact O-N 3.12Å; E448-S450 PolarHBondContact O-N 3.19Å; E448-M451 PolarHBondContact O-N 3.33Å
449N41.4Very low39.2Very low130 Ų130132.4 Ų132.470%0.69569%0.689SS**THydrogen-bonded Turntrans-68.8-11.8179.8-77.3-71.6000114L445L445-N449 PolarHBondContact O-ND2 3.2Å
450S40.1Very low38.1Very low88 Ų88135.1 Ų135.162%0.61571%0.706SS**THydrogen-bonded Turntrans-81.1-15.2179.2-161.70000113.4M447 E448M447-S450 PolarHBondContact O-N 3Å; E448-S450 PolarHBondContact O-N 3.19Å
451M38.9Very low37.3Very low158 Ų158131.9 Ų131.978%0.77871%0.711SS**SBendtrans-122.113.8-167.1-75.2-69.4134.800115.4E448E448-M451 PolarHBondContact O-N 3.33Å
452Q36.3Very low36.2Very low170 Ų170141 Ų14179%0.79474%0.735SS**  trans-129.979.6175.9-63.9-167.734.700113
453S29.4Very low35.6Very low118 Ų118145.2 Ų145.283%0.82575%0.748SS**  trans-77153.3156.446.50000110.9
454A32.4Very low34.8Very low79 Ų79145.5 Ų145.565%0.65376%0.758SS**  trans-51.3158.4165.900000110.4
455W29.3Very low33.8Very low243 Ų243152.7 Ų152.792%0.9278%0.777SS**  cis-147.3146.844.7-50.362.6000112.3
456K27.8Very low32.8Very low214 Ų214152.2 Ų152.293%0.9379%0.794SS**  trans-168.4135.8144.8-107.8147.6-167.6167.90114.4
457T29Very low32Very low134 Ų134151.5 Ų151.582%0.82280%0.803SS**  trans-79.1145.9-178.8-32.50000111.8
458P32Very low30.8Very low115 Ų115149.3 Ų149.375%0.74780%0.802SS**  trans-72.8149.7-179.129.2-37.2000113.7
459Q26.9Very low30.1Very low176 Ų176151.4 Ų151.482%0.82281%0.809SS**  trans-145.1159.8168-93-55.9-22.900113.6
460L25.9Very low29.7Very low164 Ų164151.4 Ų151.486%0.85982%0.817SS**  trans-92.4126.2-160.5-66.9156000115
461G24.6Very low29.2Very low72 Ų72157.5 Ų157.574%0.74283%0.826SS**  98.9153.212600000121.7
462R25.3Very low28.6Very low259 Ų259155.8 Ų155.898%0.97783%0.829SS**  trans97137.4160.2-61.9-170.1168.7-142.8-3.6120.1
463K30.6Very low28.3Very low197 Ų197158.5 Ų158.586%0.85783%0.833SS**PPolyproline II helixtrans-75.9160.7179.4-55.5165.2176.1172.50112.5
464P28.4Very low28.3Very low127 Ų127156.3 Ų156.383%0.82583%0.828SS**PPolyproline II helixtrans-99158.7136.933.7-29.4000112.3
465R24.7Very low29Very low251 Ų251158.2 Ų158.295%0.94783%0.834SS**PPolyproline II helixtrans-98.1145.3167-81179.5167.2-174.4-3.1109.2
466G25.9Very low29.1Very low81 Ų81152.8 Ų152.884%0.83583%0.833SS**  trans-95-172.3-17500000116.4
467S25.7Very low29.1Very low124 Ų124146.5 Ų146.587%0.86783%0.829SS**  trans-160158.9165.7-154.70000106.6
468S26Very low29.1Very low101 Ų101145.5 Ų145.571%0.70684%0.835SS**  cis-139.8-143.37.869.80000110.8
469K31.1Very low28.9Very low178 Ų178144 Ų14477%0.77484%0.839SS**  trans-147.9163.3162.2-86.6-166.1177.8-178.50108.5
470P33.8Very low29.2Very low131 Ų131140.5 Ų140.585%0.85184%0.841SS**  -120-178.9118.328.9-21.4000113.3
471R29Very low29.4Very low215 Ų215142.5 Ų142.581%0.81185%0.846SS**  trans-129.5153.4-172.4-60163.680.4173.29.5110.7
472S26.7Very low29.7Very low122 Ų122150.2 Ų150.285%0.85385%0.853SS**  trans-118.5175.6149.355.50000109.7
473R30.4Very low30Very low228 Ų228143 Ų14386%0.8684%0.837SS**  trans-129.2157.7-169.5-84.7174.2154.9166-9.2112.2
474G28.6Very low29.9Very low71 Ų71143.3 Ų143.373%0.73284%0.839SS**  trans-75.7-167.8169.700000113.7
475P47.4Very low29.9Very low120 Ų120140.7 Ų140.778%0.77984%0.835SS**  -130.2156.364.626.7-7000114.2
476S31.1Very low30.1Very low128 Ų128134.4 Ų134.490%0.89583%0.83SS**  70120.168.2-41.30000115.9
477G27.2Very low30.4Very low82 Ų82135.3 Ų135.385%0.84583%0.829SS**  trans-175.7145.4170.800000110.8
478A30.5Very low30.7Very low114 Ų114134 Ų13494%0.94283%0.826SS**  trans-140.8155.3-174.700000112
479G27.2Very low30.8Very low82 Ų82134.4 Ų134.485%0.84584%0.835SS**  trans-171.4138.3174.900000112.1
480A32.7Very low30.6Very low104 Ų104129.6 Ų129.686%0.8684%0.836SS**  trans-137.7143.5178.900000110.4
481Q31.4Very low30.7Very low206 Ų206129 Ų12996%0.96384%0.835SS**  trans-150.6175.5172-113169.5-0.700111.6
482R31.1Very low31.4Very low233 Ų233124.3 Ų124.388%0.87983%0.833SS**  trans-153.6173.7-148.4-151.7-176.7-167.3-161.65.7112.4
483V31.5Very low31.7Very low108 Ų108123.9 Ų123.966%0.65583%0.829SS**  trans70.3148168.6-127.20000114.8
484F27.9Very low31.5Very low204 Ų204119.1 Ų119.190%0.89583%0.826SS**  cis-141.7174.314.2-72.3-93.6000111.7
485G27.3Very low31.6Very low72 Ų72119.6 Ų119.674%0.74282%0.823SS**  cis164.5-1.2-1100000121.4
486S29.5Very low30.8Very low119 Ų119124 Ų12483%0.83283%0.83SS**  trans-133.1141.8-173-67.90000112.6
487A32Very low30.7Very low99 Ų99121 Ų12182%0.81882%0.82SS**  cis88.8134.941.200000113.4
488A31.5Very low30.6Very low97 Ų97125.5 Ų125.580%0.80282%0.816SS**  cis-165.4175.8-6.500000112.6
489A30Very low30.3Very low109 Ų109131.8 Ų131.890%0.90182%0.816SS**  trans67.1153.6169.400000118.3
490G26.6Very low30.1Very low77 Ų77133.5 Ų133.579%0.79480%0.802SS**  cis-175.3165.5-6.100000112.1
491S35.2Very low29.9Very low119 Ų119135.8 Ų135.883%0.83279%0.792SS**  trans-125.4157.6-175.6-50.20000113.2
492P44.6Very low29.6Very low117 Ų117131.4 Ų131.476%0.7678%0.784SS**  -138.1144.8110.225.5-6.6000113.4
493S31.2Very low29.4Very low112 Ų112124.4 Ų124.478%0.78377%0.771SS**  56.8136.396.8-48.10000115.2
494T28.1Very low29.2Very low129 Ų129127.9 Ų127.979%0.79178%0.78SS**  cis-135.6158.626.351.30000112.1
495A30.7Very low29.2Very low81 Ų81122.7 Ų122.767%0.66978%0.775SS**  cis78.5142.331.400000114.3
496K30.8Very low29.1Very low211 Ų211123.2 Ų123.292%0.91778%0.78SS**  cis-170.6172.9-7-123.6-179.1179.4-177.50111.6
497G27Very low29.1Very low67 Ų67129.3 Ų129.369%0.69179%0.785SS**  trans97.9140.3162.900000114.5
498F25.9Very low28.9Very low176 Ų176136.5 Ų136.577%0.77279%0.79SS**  cis61.8116.29.2-162-79.9000117.3E500F498-E500 HydrophobicContact CE1-CB 4.31Å; F498-E500 HydrophobicContact CZ-CB 4.39Å
499W23.8Very low28.6Very low246 Ų246135.2 Ų135.293%0.93279%0.787SS**  trans-151.3157.9160.1-103.983.3000110.2
500E23.2Very low28.5Very low118 Ų118137.5 Ų137.555%0.55178%0.779SS**  trans-149.3160.9-176.1-156.3-144.4144.500110.7F498F498-E500 HydrophobicContact CE1-CB 4.31Å; F498-E500 HydrophobicContact CZ-CB 4.39Å
501K28.4Very low28.5Very low152 Ų152141.1 Ų141.166%0.66177%0.773SS**  trans79.8137.4163.1-62.5-177.9163.358.90121.6
502S26Very low28.1Very low113 Ų113140.4 Ų140.479%0.7977%0.767SS**  trans75.7149.3143.2-68.10000120.8
503S26Very low27.3Very low86 Ų86146 Ų14660%0.60177%0.773SS**  cis-173.1179.7-17.7550000111.4
504H27.7Very low26.9Very low182 Ų182145.5 Ų145.584%0.84377%0.77SS**  trans77.7154.5174.3-59.3-76.9000118
505A27.5Very low26.8Very low95 Ų95144.8 Ų144.879%0.78577%0.77SS**  cis-169.8148.2-30.800000110.7
506G25.8Very low26.7Very low82 Ų82146.6 Ų146.685%0.84578%0.778SS**  trans-167.8137.8171.300000113.2
507R30.2Very low26.6Very low248 Ų248146.6 Ų146.694%0.93678%0.778SS**  trans-130.4131.7-173.2-99.2-171.7168.5-148.90.2113.4
508R27.6Very low26.7Very low249 Ų249148.5 Ų148.594%0.9479%0.787SS**  trans176.2144.1152.9-96.2158.3-165-94.65.5105.9
509G25.6Very low26.6Very low70 Ų70142.9 Ų142.972%0.72278%0.779SS**  cis92115.411.500000111.1
510E27Very low26.8Very low158 Ų158139.4 Ų139.474%0.73877%0.773SS**  cis-169.2175.78.3-146.3-162.2134.500111.1
511K26.4Very low27Very low153 Ų153141 Ų14167%0.66578%0.78SS**  trans67.998.7156.2-65.6175.6171.469.60123.1
512S27.1Very low26.8Very low103 Ų103142 Ų14272%0.7279%0.787SS**  25.1129.5122.464.50000124.1
513R27Very low26.9Very low234 Ų234145.2 Ų145.288%0.88379%0.789SS**  164.1145.7110.5-94.4-174.9167.9179.5-4.1116.5
514S23.1Very low27Very low103 Ų103147 Ų14772%0.7280%0.797SS**  trans61117.5144.861.10000125.1
515S27.3Very low27Very low113 Ų113150.2 Ų150.279%0.7980%0.801SS**  70.2116.6122.7-54.80000124
516S28.6Very low27Very low119 Ų119150.8 Ų150.883%0.83280%0.8SS**  160.3125.3123.9-68.50000107.8
517K28.5Very low27.2Very low212 Ų212152.7 Ų152.792%0.92280%0.799SS**  cis70.687.830.1-157.7176.3-175177.90115.4
518A27.5Very low27.1Very low107 Ų107148.7 Ų148.788%0.88480%0.796SS**  trans-122.6162.9149.700000108.2
519G25.1Very low27.8Very low58 Ų58141.6 Ų141.660%0.59878%0.782SS**  trans-160.5-141-17600000112.1
520H27.4Very low28.2Very low172 Ų172146.8 Ų146.880%0.79679%0.793SS**  trans77.9139.5-170.8-48.5-72.1000113.6
521H26.4Very low28.4Very low151 Ų151142.6 Ų142.670%0.69979%0.793SS**  cis-153.3133-13.3-125-59.7000110.4
522H26Very low28.8Very low175 Ų175143 Ų14381%0.8180%0.802SS**  trans-77144.5151-91.1-84.5000109.1
523Q27Very low29.5Very low179 Ų179143.6 Ų143.684%0.83680%0.804SS**  trans-125.4122152.2-77.8-1672.800109
524T27.9Very low30.1Very low125 Ų125138.2 Ų138.277%0.76780%0.799SS**  trans-88.1143.1168.146.40000109.8
525R27.3Very low30.8Very low249 Ų249139.5 Ų139.594%0.9481%0.805SS**  trans-128.6140.3156.7-87-170.1167.8-158.3-3.9108.8
526S27.5Very low31.2Very low107 Ų107142.9 Ų142.975%0.74881%0.808SS**  trans-102.3149.4-172.5-51.80000111.8
527C30.4Very low31.5Very low122 Ų122142.5 Ų142.582%0.82480%0.803SS**  trans18.6130.6150.9-47.20000120.1
528D28.2Very low31.9Very low163 Ų163138.6 Ų138.687%0.87280%0.799SS**  -145.2153.2116.9-115.6-25.3000109.8
529P42.3Very low32.1Very low101 Ų101140.8 Ų140.866%0.65679%0.794SS**  trans-103.5128.3-170.736.1-30000113.9
530N34.4Very low32.3Very low178 Ų178143.6 Ų143.695%0.95281%0.805SS**  trans177.9132.1145.5-94.2-44.8000109.5
531G30.5Very low32.3Very low71 Ų71143.6 Ų143.673%0.73280%0.803SS**  trans167.9135.817800000111.8
532D34.8Very low32.4Very low161 Ų161145.1 Ų145.186%0.86181%0.812SS**PPolyproline II helixtrans-71.9155.5-169.6-61.9-82.9000114.5
533P42.7Very low32.5Very low116 Ų116144.4 Ų144.475%0.75381%0.814SS**PPolyproline II helixtrans-67.9151.5176.828.8-36000112.8
534P39.8Very low32.6Very low121 Ų121140.8 Ų140.879%0.78681%0.809SS**PPolyproline II helixtrans-68.6150.918029.1-35.5000112.7
535P36.4Very low32.5Very low130 Ų130141.1 Ų141.184%0.84482%0.815SS**PPolyproline II helixtrans-74.2146.3-17730.7-35.6000112.9
536Q37.3Very low32.5Very low183 Ų183137.5 Ų137.586%0.85581%0.808SS**PPolyproline II helixtrans-77.6152.2170.6-72.6-171.2-24.100112
537P35.2Very low32.4Very low112 Ų112139.7 Ų139.773%0.72781%0.81SS**PPolyproline II helixtrans-67.6149.417628.8-35.4000112.3
538P35.5Very low32.2Very low129 Ų129139.2 Ų139.284%0.83881%0.808SS**PPolyproline II helixtrans-75.4134.4-174.829.9-34.8000112.9S540P538-S540 PolarHBondContact O-N 3.46Å
539I31.5Very low32.1Very low153 Ų153140.5 Ų140.579%0.78581%0.808SS**  trans-78.8109175.7-57.5165.2000109.2
540S29.7Very low31.3Very low117 Ų117144.7 Ų144.782%0.81882%0.819SS**  trans-66.4137.6170.5-171.60000111P538P538-S540 PolarHBondContact O-N 3.46Å
541K28.7Very low30.9Very low173 Ų173148.1 Ų148.175%0.75282%0.819SS**  trans-126.5139.6171.6-71.3-176.8177.2178.50108.5D543K541-D543 PolarHBondContact O-N 3.16Å
542M28.6Very low30.5Very low182 Ų182148 Ų14890%0.89782%0.818SS**  trans-63.8127.1174.1-69.289.199.300111
543D27.6Very low30Very low161 Ų161150 Ų15086%0.86181%0.814SS**  trans-89.6125.4160.9-91.7-45000109.9K541K541-D543 PolarHBondContact O-N 3.16Å
544S28Very low29.1Very low103 Ų103153.3 Ų153.372%0.7281%0.811SS**  trans-91.3110.7179.6-66.10000111H546S544-H546 PolarHBondContact O-N 2.88Å
545C27Very low28.4Very low131 Ų131153.8 Ų153.889%0.88581%0.807SS**PPolyproline II helixtrans-73.8116.1171.6-63.30000111.1
546H26.4Very low27.8Very low174 Ų174152.2 Ų152.281%0.80680%0.799SS**PPolyproline II helixtrans-65.4144.5175.9-84.2-108000112.8S544S544-H546 PolarHBondContact O-N 2.88Å
547I25.1Very low27.3Very low153 Ų153149.5 Ų149.579%0.78580%0.795SS**PPolyproline II helixtrans-87.8131.5155-65.6175.1000107.7
548S26.8Very low26.8Very low111 Ų111155.4 Ų155.478%0.77680%0.802SS**PPolyproline II helixtrans-98.6126.1174.2-59.80000110.5
549E26.4Very low26.4Very low190 Ų190153.5 Ų153.589%0.88880%0.798SS**  trans-117.4110.9162.5-74.1-154.9107.800110.4
550E25.2Very low26.2Very low190 Ų190153.1 Ų153.189%0.88880%0.802SS**  trans-84.7114.8167.1-74.1-160.2133.200111
551R26.3Very low26.1Very low249 Ų249153.2 Ų153.294%0.9480%0.803SS**  trans-156.5101.9145.9-144.6162.1-73.6-118.21.5112
552G22.5Very low26Very low69 Ų69148.8 Ų148.871%0.71181%0.806SS**  trans-101.5178.1175.600000113.7
553R23Very low25.9Very low204 Ų204148.8 Ų148.877%0.7780%0.802SS**  trans70.4133.2172.2-109.5178.1166.2-179.2-2.2115
554W25Very low26Very low185 Ų185148.9 Ų148.970%0.70180%0.799SS**  cis-133.11771.9-51.166.7000107.7
555D24.7Very low26Very low130 Ų130148.1 Ų148.170%0.69580%0.799SS**  cis-155.1-173.716.2-142.6-40.5000112.5
556S23.6Very low26.1Very low98 Ų98147.6 Ų147.669%0.68580%0.797SS**  trans-64.5163.5-179.7-530000112.8
557V26.3Very low26.1Very low126 Ų126144.2 Ų144.276%0.76480%0.799SS**  -160.9118.856.3168.80000113.2
558R24.7Very low26.2Very low235 Ų235142.3 Ų142.389%0.88780%0.799SS**  trans33.7115133.7-174.7-160.1-62.5-176.9-1120.2
559A26.8Very low27.1Very low90 Ų90143 Ų14374%0.74480%0.801SS**  -168.3110.7128.900000116.4
560V27.1Very low28.5Very low144 Ų144139.2 Ų139.287%0.87379%0.793SS**  trans63.1130.5134-172.50000122.7
561S27.8Very low29.7Very low119 Ų119136.5 Ų136.583%0.83279%0.792SS**  trans-72.6165.7177.2-30.20000116.4
562G27Very low30Very low80 Ų80129.1 Ų129.183%0.82578%0.784SS**  trans-168.6129.3165.100000114.6
563F27Very low30.2Very low182 Ų182131.7 Ų131.780%0.79879%0.791SS**  trans-98.4144.1-170-105.7-124.1000114.9
564M29.6Very low30.6Very low163 Ų163127.6 Ų127.680%0.80379%0.794SS**  trans56.3123.4137.5-71.1-170.1175.900125.2
565A27.8Very low32Very low87 Ų87125.3 Ų125.372%0.71980%0.803SS**  90.5127.6117.900000125.2
566S28.7Very low32.2Very low120 Ų120122.8 Ų122.884%0.83981%0.808SS**  trans76.5130.5137.666.50000123.6
567A27.1Very low32.5Very low103 Ų103123 Ų12385%0.85182%0.815SS**  trans158.2161.1132.300000114
568S26.6Very low32.7Very low114 Ų114121.5 Ų121.580%0.79782%0.816SS**  trans-125-161.3-160.5-48.50000113.6
569P45.2Very low33.1Very low126 Ų126116.8 Ų116.882%0.81881%0.813SS**  -125-117.5-74.341.1-21.5000116
570P57.3Low34.1Very low109 Ų109118.2 Ų118.271%0.70882%0.815SS**  trans-120-171.5-157.741.9-20.3000116.2
571P49.4Very low34.2Very low133 Ų133119 Ų11986%0.86481%0.814SS**  -154.1-159.2104.641.2-20.8000116.9
572A32Very low34.3Very low95 Ų95117.5 Ų117.579%0.78581%0.809SS**  trans-128.1-177.2-161.400000116.9
573S27.6Very low34.2Very low122 Ų122117.4 Ų117.485%0.85381%0.808SS**  trans-168.6170166.9-83.90000115.3
574S30.6Very low34.3Very low118 Ų118113.3 Ų113.383%0.82581%0.808SS**  trans-143.1-132.9-172.4-58.40000117.3
575P55.2Low34.1Very low137 Ų137111.9 Ų111.989%0.8981%0.808SS**  -129.7179-104.939.6-21.8000119.6
576G29Very low34.1Very low78 Ų78115.2 Ų115.280%0.80481%0.813SS**  trans149.1170.9162.900000116.4
577A30.1Very low33.9Very low102 Ų102120.7 Ų120.784%0.84382%0.815SS**  cis-170.9148.7-24.300000115
578A29.4Very low33.8Very low95 Ų95119 Ų11979%0.78581%0.808SS**  trans46.4117.115100000127.6
579V33.5Very low33.8Very low136 Ų136118.9 Ų118.982%0.82481%0.807SS**  37.9130.2110.6179.90000120.1
580P48.2Very low32.9Very low119 Ų119124.8 Ų124.877%0.77381%0.813SS**  -158.7146.278.940.9-18.6000123.4
581D30Very low31.3Very low160 Ų160122.7 Ų122.786%0.85681%0.811SS**  69.2148.5128.3-150.629000127.7
582A28.7Very low30.2Very low89 Ų89128.2 Ų128.274%0.73682%0.815SS**  trans72.5123.5150.500000125.2
583G25.4Very low29.8Very low77 Ų77129.9 Ų129.979%0.79482%0.815SS**  trans135.7119.513200000120.4
584A28.1Very low29.7Very low96 Ų96128.1 Ų128.179%0.79381%0.808SS**  trans33123.1155.600000120.7
585V25.7Very low29.4Very low133 Ų133133.2 Ų133.281%0.80681%0.809SS**  59.9100.956-172.40000115.1
586L27.6Very low28.1Very low158 Ų158135.6 Ų135.683%0.82781%0.808SS**  -176.9165.8127.7-104.7175.7000115.8
587R25.6Very low28Very low235 Ų235135.1 Ų135.189%0.88780%0.803SS**  trans-58.3160.4165.3-57162.2171.6-167.9-3.3111.2
588G24Very low27.9Very low67 Ų67140.9 Ų140.969%0.69181%0.809SS**  cis126.7157.94.100000113
589S26.7Very low27.7Very low112 Ų112140.1 Ų140.178%0.78381%0.81SS**  trans78.8128.2172.8-54.70000120.3
590R26.3Very low27.4Very low249 Ų249137.8 Ų137.894%0.9481%0.806SS**  trans53.8130.9142.2-58.3170.1177.8-176-1.2118.4
591G24.7Very low26.4Very low66 Ų66137.1 Ų137.168%0.6880%0.804SS**  cis135.4172.610.500000110.7
592R24.9Very low26.1Very low249 Ų249136.9 Ų136.994%0.9480%0.799SS**  trans66.9153.6176.3-72.7-175.9177.3-164.3-0.9116.4
593V24.3Very low26Very low129 Ų129138.9 Ų138.978%0.78280%0.797SS**  cis-173.5151.1-31.6115.30000107.8
594A25Very low26Very low85 Ų85141.5 Ų141.570%0.70279%0.793SS**  trans69165.7169.500000116.2
595R25.3Very low26Very low225 Ų225141.4 Ų141.485%0.84979%0.792SS**  cis-159.7169.91.4-147.8164.7176.2-166-3.2111.4
596Q27.6Very low26Very low187 Ų187139.4 Ų139.487%0.87479%0.79SS**  trans72.8142168.5-54173.415.400115.9
597G26.1Very low26.1Very low68 Ų68136.2 Ų136.270%0.70179%0.786SS**  cis133.8150.8-23.700000117.1
598K28.1Very low26.1Very low224 Ų224133.1 Ų133.197%0.97478%0.781SS**  trans82.5140.7-179-52.3178.2-178.8-178.30114.3
599G26.8Very low26.3Very low78 Ų78135.5 Ų135.580%0.80478%0.782SS**  cis-167-170.1-4.600000109.1
600A27.1Very low26.2Very low88 Ų88138 Ų13873%0.72779%0.787SS**  cis-163.6166-7.200000109.6
601S26.1Very low26.1Very low105 Ų105129.9 Ų129.973%0.73478%0.781SS**  trans36.6145.8144.259.80000122.5
602M24.6Very low26.2Very low155 Ų155136.1 Ų136.176%0.76479%0.785SS**  cis-177.3146.8-2.7-112.9-179.2136.900108.9
603L26.6Very low26.1Very low130 Ų130131.9 Ų131.968%0.68177%0.774SS**  trans56.1158.6143.9-54.2-173.7000119.8
604D25.4Very low26.1Very low133 Ų133129.6 Ų129.671%0.71176%0.764SS**  cis-159.6164.2-13.4-120-27.9000111.4
605A26.9Very low26Very low94 Ų94133.1 Ų133.178%0.77777%0.771SS**  trans59.8166.9150.200000120.9
606A26.8Very low26.1Very low91 Ų91125.5 Ų125.575%0.75276%0.763SS**  cis-172.3162.2-38.500000110.4
607A28.5Very low25.9Very low90 Ų90125.9 Ų125.974%0.74476%0.764SS**  trans66.9167.1159.100000117.8
608E26.2Very low26Very low171 Ų171128.6 Ų128.680%0.79977%0.773SS**  cis-164.9169.9-31.3-112.8179.9157.800110.8
609T27.5Very low25.8Very low116 Ų116125.7 Ų125.771%0.71277%0.768SS**  trans59.7117.4154.850.80000124.2
610D25Very low25.9Very low165 Ų165129.7 Ų129.788%0.88277%0.77SS**  40.3137.5119.3-59-9.8000126
611G25.6Very low25.9Very low79 Ų79134.5 Ų134.581%0.81478%0.777SS**  trans107.7163.3146.400000117.7
612Y25.2Very low25.9Very low196 Ų196136.1 Ų136.177%0.76978%0.783SS**  cis-172.5122.9-28173.7-95000109.5
613F22.6Very low26Very low161 Ų161140 Ų14071%0.70679%0.789SS**  trans63.4147.5160.9-90.8-119.5000124.8
614S25.6Very low26.1Very low81 Ų81139.8 Ų139.857%0.56680%0.799SS**  trans85.4107.7139.2-77.70000124.7
615D23.4Very low26Very low158 Ų158137.3 Ų137.385%0.84581%0.805SS**  72153.3114.1-47.8-31.8000123.4
616G26.3Very low26Very low66 Ų66136.5 Ų136.568%0.6881%0.805SS**  trans108.279.717700000113.4
617E24.3Very low26Very low194 Ų194144.4 Ų144.491%0.90782%0.816SS**  44.6111.183.7-68.9-158129.600116.1
618S26.5Very low26.1Very low126 Ų126149.7 Ų149.788%0.88182%0.822SS**  -174.6135.1127.823.40000112.1
619D25.4Very low26.1Very low163 Ų163150.4 Ų150.487%0.87283%0.83SS**  trans-73.7155.5173.4-73.7-62.2000113.1
620L27.5Very low26.1Very low162 Ų162156.6 Ų156.685%0.84884%0.84SS**  trans-154.795.9154.9-119.5165.3000111.9
621E27.3Very low26.2Very low188 Ų188156 Ų15688%0.87984%0.836SS**  trans-64.4138.9166.9-71.8-163.7112.300111
622T26.9Very low26.5Very low139 Ų139157.7 Ų157.785%0.85383%0.833SS**  trans-148.1150155.1-63.90000109.6
623R26.8Very low26.7Very low236 Ų236157 Ų15789%0.89184%0.837SS**  trans-125.8144.9-143-170.6-175.9176.9-162.73113.9
624S28.1Very low27Very low127 Ų127158 Ų15889%0.88885%0.848SS**  trans79.1140.7158-1580000119.3
625G24.5Very low27.1Very low81 Ų81162.5 Ų162.584%0.83586%0.86SS**  trans159.354.7171.300000116.2
626G26.9Very low27.6Very low76 Ų76159.9 Ų159.978%0.78485%0.852SS**  trans-104.3152-173.500000116.3
627R26.3Very low27.8Very low258 Ų258160.7 Ų160.797%0.97485%0.852SS**  trans-153.6155.1158.5-116.4174.3-177.1-165.3-0.7112.5
628K31Very low28.3Very low201 Ų201157.5 Ų157.587%0.87484%0.841SS**  trans-97.3153.3-172.3-59.3175.7179178.40112.5
629L25Very low28.8Very low185 Ų185158.6 Ų158.697%0.96983%0.833SS**  trans-128.5167.9152.4-79175.4000110.4
630R27.2Very low29.3Very low246 Ų246156.4 Ų156.493%0.92882%0.821SS**  trans-119.9154.4-162.1-118.3-177.2177.4178-2.7113.2
631L28.4Very low29.7Very low153 Ų153155.2 Ų155.280%0.80182%0.815SS**  trans-86.2156172.5-156.290.5000111.9
632P30.4Very low30.1Very low114 Ų114152.6 Ų152.674%0.7481%0.806SS**  trans-101.4157.4153.75.815.5000112.4
633Q30.5Very low30.5Very low182 Ų182154.8 Ų154.885%0.8580%0.799SS**  trans-108.1162.7178.3-65.1170.9-85.300112.1
634L28.3Very low31Very low182 Ų182153.4 Ų153.495%0.95379%0.793SS**  trans-129.6167.5163.1-75.5175.6000110.9
635H28.3Very low31.2Very low175 Ų175151.9 Ų151.981%0.8178%0.782SS**  trans-94150.9-154.6-135.6-118000114.6A637H635-A637 PolarHBondContact O-N 2.8Å
636P33.8Very low31.7Very low103 Ų103153.2 Ų153.267%0.66977%0.774SS**  trans-91.829.8-165.538.1-38.7000115.7N638P636-N638 PolarHBondContact O-N 2.59Å
637A30.4Very low32Very low83 Ų83157 Ų15769%0.68678%0.776SS**THydrogen-bonded Turntrans-84.30.7-17100000115.8H635H635-A637 PolarHBondContact O-N 2.8Å
638N34.3Very low32.4Very low128 Ų128148.9 Ų148.968%0.68476%0.764SS**THydrogen-bonded Turntrans-103.4-7-170.6-95.15.9000115.7P636P636-N638 PolarHBondContact O-N 2.59Å
639E38.6Very low32.5Very low149 Ų149147.6 Ų147.670%0.69678%0.78SS**Hα-helixtrans-74.4-38.2-172.8-64.8-163.7117.200113.5L641 L642 R643E639-L641 VanDerWaalsContact C-N 3.32Å; E639-L641 PolarHBondContact O-N 2.88Å; E639-L642 PolarHBondContact O-N 3.44Å; E639-R643 PolarHBondContact O-N 3.41Å; E639-R643 VanDerWaalsContact O-N 3.1Å
640D34.4Very low32.9Very low117 Ų117145.7 Ų145.763%0.62677%0.771SS**Hα-helixtrans-73.4-18-173-75.1-39.6000114.8
641L35.8Very low33.2Very low137 Ų137140.4 Ų140.472%0.71776%0.762SS**Hα-helixtrans-76.2-39.6170.2-83168.1000111.9E639 R643E639-L641 VanDerWaalsContact C-N 3.32Å; E639-L641 PolarHBondContact O-N 2.88Å; L641-R643 VanDerWaalsContact C-N 3.27Å; L641-R643 PolarHBondContact O-N 3.3Å
642L35.6Very low33.4Very low133 Ų133139.7 Ų139.770%0.69676%0.76SS**Hα-helixtrans-66.7-30.9174.1-79.9163.3000112E639 R644E639-L642 PolarHBondContact O-N 3.44Å; L642-R644 VanDerWaalsContact C-N 3.27Å; L642-R644 PolarHBondContact O-N 2.66Å
643R36.4Very low33.6Very low185 Ų185141.2 Ų141.270%0.69876%0.761SS**THydrogen-bonded Turntrans-72-14.3-176.1-148.8173.5-170.2173.43.4114.8E639 L641E639-R643 PolarHBondContact O-N 3.41Å; E639-R643 VanDerWaalsContact O-N 3.1Å; L641-R643 VanDerWaalsContact C-N 3.27Å; L641-R643 PolarHBondContact O-N 3.3Å
644R36.3Very low33.8Very low206 Ų206138.7 Ų138.778%0.77776%0.756SS**THydrogen-bonded Turntrans-93.7-20-178.5-85.7179.7148.9176.5-8.1115L642 V646L642-R644 VanDerWaalsContact C-N 3.27Å; L642-R644 PolarHBondContact O-N 2.66Å; R644-V646 VanDerWaalsContact C-N 3.31Å; R644-V646 PolarHBondContact O-N 2.74Å
645S33.9Very low34.2Very low95 Ų95135.8 Ų135.866%0.66474%0.743SS**THydrogen-bonded Turntrans-86.86178.5-54.90000114.4
646V34.7Very low34.6Very low109 Ų109133 Ų13366%0.66174%0.738SS**THydrogen-bonded Turntrans-112.118.3-176.2-167.10000111.4R644R644-V646 VanDerWaalsContact C-N 3.31Å; R644-V646 PolarHBondContact O-N 2.74Å
647L33.1Very low34.6Very low156 Ų156135.3 Ų135.382%0.81774%0.743SS**SBendtrans-132.530.1177.5-63.3171.2000111.2
648A34.8Very low35Very low87 Ų87139.7 Ų139.772%0.71975%0.748SS**  trans-143.430.6178.900000110.9
649S32.1Very low35.1Very low174 Ų174140.7 Ų140.7100%1.21775%0.754SS**  trans-161.80176.5-570000108

Retrieved 649 of 649 residues in 849.6 ms (Link to these results)

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