A0A096LWE2_POEFO Loading...

Radial spoke head component 4A

AlphaFold DB , UniProt , Accession A0A096LWE2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 410 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
1E51.2Low80Confident249 Ų24968.5 Ų68.5100%1.16439%0.387SS*.  0156.60-90.6160.9132.800109.9
2T67.8Low80.8Confident119 Ų11971.8 Ų71.873%0.7339%0.394SS*.  trans-76.9139.8169.346.40000109.2L4T2-L4 PolarHBondContact O-N 3.47Å; T2-L4 VanDerWaalsContact O-N 3.12Å; T2-L4 PolarHBondContact OG1-O 3.32Å
3A76.7Confident81.3Confident26 Ų2668.5 Ų68.522%0.21537%0.373CS..SBendtrans-60.2-22.8179.200000113.4V37 P43 R44 C45A3-V37 HydrophobicContact CB-CG1 3.71Å; A3-P43 WeakPolarHBondContact CA-O 3.3Å; A3-P43 VanDerWaalsContact CB-O 3.29Å; A3-P43 WeakPolarHBondContact CB-O 3.46Å; A3-R44 CarbonylContact O-C 3.55Å; A3-R44 WeakPolarHBondContact O-CA 3.49Å; A3-C45 PolarHBondContact O-N 3.38Å
4L83.3Confident81.8Confident22 Ų2263.7 Ų63.712%0.11535%0.347CS..SBendtrans-107.9142.4177-69.7170.7000112.5T2 F30 L33 K34 V37 C45T2-L4 PolarHBondContact O-N 3.47Å; T2-L4 VanDerWaalsContact O-N 3.12Å; T2-L4 PolarHBondContact OG1-O 3.32Å; L4-F30 HydrophobicContact CD1-CE2 4.4Å; L4-L33 HydrophobicContact CD1-CB 4.39Å; L4-L33 HydrophobicContact CD2-CB 3.81Å; L4-K34 HydrophobicContact CD1-CB 3.99Å; L4-V37 HydrophobicContact CD1-CG2 4.33Å; L4-V37 HydrophobicContact CD2-CG2 3.78Å; L4-V37 HydrophobicContact CG-CG2 3.92Å; L4-C45 HydrophobicContact CD2-CB 3.83Å
5P80.2Confident82.4Confident37 Ų3766.3 Ų66.324%0.2436%0.355CS..  trans-72.2165.1170.832.4-36.5000111.6V7 I10 C45P5-V7 VanDerWaalsContact C-N 3.34Å; P5-V7 PolarHBondContact O-N 3.42Å; P5-I10 HydrophobicContact CB-CD1 3.86Å; P5-I10 HydrophobicContact CG-CD1 4Å; P5-C45 WeakPolarHBondContact CD-O 3.29Å
6N85.3Confident82.7Confident90 Ų9067.1 Ų67.148%0.48136%0.357SS..  trans-7385.9176.5-174.5-2.9000111.2S8 E9 I10N6-S8 PolarHBondContact O-N 2.92Å; N6-S8 PolarHBondContact OD1-N 2.74Å; N6-E9 HydrophobicContact CB-CB 4.05Å; N6-E9 WeakPolarHBondContact ND2-CB 3.35Å; N6-E9 PolarHBondContact ND2-OE2 3.21Å; N6-E9 VanDerWaalsContact ND2-OE2 3.1Å; N6-E9 WeakPolarHBondContact O-CB 3.48Å; N6-E9 PolarHBondContact O-N 3.15Å; N6-E9 VanDerWaalsContact O-N 3.11Å; N6-E9 PolarHBondContact OD1-N 3.17Å; N6-I10 WeakPolarHBondContact O-CG1 3.46Å; N6-I10 PolarHBondContact O-N 2.86Å; N6-I10 VanDerWaalsContact O-N 3.07Å
7V84.7Confident82.8Confident5 Ų563.5 Ų63.53%0.0334%0.338CS..Hα-helixtrans-60.1-32.6-175.8178.40000112.9P5 E9 I10 A11 M26 F30P5-V7 VanDerWaalsContact C-N 3.34Å; P5-V7 PolarHBondContact O-N 3.42Å; V7-E9 VanDerWaalsContact C-N 3.31Å; V7-E9 PolarHBondContact O-N 2.87Å; V7-I10 PolarHBondContact O-N 3.48Å; V7-A11 VanDerWaalsContact O-CB 3.32Å; V7-A11 WeakPolarHBondContact O-CB 3.42Å; V7-A11 PolarHBondContact O-N 3.12Å; V7-M26 HydrophobicContact CG1-CG 3.62Å; V7-M26 HydrophobicContact CG1-SD 3.37Å; V7-M26 WeakPolarHBondContact CG1-SD 3.43Å; V7-F30 HydrophobicContact CB-CB 4.27Å; V7-F30 HydrophobicContact CB-CD2 3.78Å; V7-F30 HydrophobicContact CB-CG 4.32Å; V7-F30 HydrophobicContact CG1-CB 4.14Å; V7-F30 HydrophobicContact CG2-CB 4.47Å; V7-F30 HydrophobicContact CG2-CD2 3.58Å; V7-F30 HydrophobicContact CG2-CE2 4.33Å; V7-F30 HydrophobicContact CG2-CG 4.46Å
8S85.8Confident83Confident96 Ų9667.8 Ų67.867%0.67136%0.356SS*.Hα-helixtrans-64.2-38.6177.7-59.50000112.3N6 F12N6-S8 PolarHBondContact O-N 2.92Å; N6-S8 PolarHBondContact OD1-N 2.74Å; S8-F12 PolarHBondContact O-N 3.48Å; S8-F12 VanDerWaalsContact O-N 3.11Å
9E88.6Confident83.1Confident61 Ų6165.1 Ų65.129%0.28534%0.343SS..Hα-helixtrans-72.4-41.2177174.5169.9-141.900111.8N6 V7 A11 F12 Y13 K337N6-E9 HydrophobicContact CB-CB 4.05Å; N6-E9 WeakPolarHBondContact ND2-CB 3.35Å; N6-E9 PolarHBondContact ND2-OE2 3.21Å; N6-E9 VanDerWaalsContact ND2-OE2 3.1Å; N6-E9 WeakPolarHBondContact O-CB 3.48Å; N6-E9 PolarHBondContact O-N 3.15Å; N6-E9 VanDerWaalsContact O-N 3.11Å; N6-E9 PolarHBondContact OD1-N 3.17Å; V7-E9 VanDerWaalsContact C-N 3.31Å; V7-E9 PolarHBondContact O-N 2.87Å; E9-A11 VanDerWaalsContact C-N 3.3Å; E9-A11 PolarHBondContact O-N 3.04Å; E9-F12 WeakPolarHBondContact O-CB 3.25Å; E9-F12 PolarHBondContact O-N 3.45Å; E9-Y13 HydrophobicContact CG-CD2 3.93Å; E9-Y13 HydrophobicContact CG-CE2 3.6Å; E9-Y13 WeakPolarHBondContact O-CD2 3.36Å; E9-Y13 PolarHBondContact O-N 2.9Å; E9-Y13 VanDerWaalsContact O-N 3.14Å; E9-K337 VanDerWaalsContact OE1-CD 3.28Å; E9-K337 WeakPolarHBondContact OE1-CD 3.32Å; E9-K337 WeakPolarHBondContact OE1-CE 3.34Å; E9-K337 IonicContact OE1-NZ 2.57Å; E9-K337 PolarHBondContact OE1-NZ 3.35Å
10I86.6Confident83.2Confident23 Ų2363.8 Ų63.812%0.11835%0.345CS..Hα-helixtrans-58.7-46.6172.9-62.7176.3000109.7P5 N6 V7 F12 Y13 L14 E339P5-I10 HydrophobicContact CB-CD1 3.86Å; P5-I10 HydrophobicContact CG-CD1 4Å; N6-I10 WeakPolarHBondContact O-CG1 3.46Å; N6-I10 PolarHBondContact O-N 2.86Å; N6-I10 VanDerWaalsContact O-N 3.07Å; V7-I10 PolarHBondContact O-N 3.48Å; I10-F12 VanDerWaalsContact C-N 3.3Å; I10-F12 PolarHBondContact O-N 3.17Å; I10-Y13 PolarHBondContact O-N 3.27Å; I10-L14 HydrophobicContact CG2-CD1 3.68Å; I10-L14 HydrophobicContact CG2-CG 4.04Å; I10-L14 VanDerWaalsContact O-CB 3.27Å; I10-L14 WeakPolarHBondContact O-CB 3.46Å; I10-L14 VanDerWaalsContact O-CG 3.23Å; I10-L14 WeakPolarHBondContact O-CG 3.43Å; I10-L14 PolarHBondContact O-N 3.47Å; I10-E339 HydrophobicContact CD1-CG 4.06Å; I10-E339 HydrophobicContact CG1-CG 3.99Å; I10-E339 HydrophobicContact CG2-CG 4.38Å
11A89.6Confident83.3Confident25 Ų2561.9 Ų61.921%0.20733%0.334CS..Hα-helixtrans-57.1-43177.300000112.7V7 E9 L14 E15 M26V7-A11 VanDerWaalsContact O-CB 3.32Å; V7-A11 WeakPolarHBondContact O-CB 3.42Å; V7-A11 PolarHBondContact O-N 3.12Å; E9-A11 VanDerWaalsContact C-N 3.3Å; E9-A11 PolarHBondContact O-N 3.04Å; A11-L14 PolarHBondContact O-N 3.36Å; A11-E15 WeakPolarHBondContact O-CB 3.45Å; A11-E15 PolarHBondContact O-N 2.89Å; A11-M26 HydrophobicContact CB-CE 3.64Å; A11-M26 HydrophobicContact CB-CG 3.79Å; A11-M26 HydrophobicContact CB-SD 4.47Å
12F90.5Very high85Confident108 Ų10852 Ų5247%0.47430%0.299SS..Hα-helixtrans-59.9-49.3177.5171.9-96000111.6S8 E9 I10 E15 Q16S8-F12 PolarHBondContact O-N 3.48Å; S8-F12 VanDerWaalsContact O-N 3.11Å; E9-F12 WeakPolarHBondContact O-CB 3.25Å; E9-F12 PolarHBondContact O-N 3.45Å; I10-F12 VanDerWaalsContact C-N 3.3Å; I10-F12 PolarHBondContact O-N 3.17Å; F12-E15 PolarHBondContact O-N 2.89Å; F12-Q16 HydrophobicContact CE1-CG 4.35Å; F12-Q16 HydrophobicContact CZ-CG 4.35Å; F12-Q16 WeakPolarHBondContact O-CG 3.42Å; F12-Q16 PolarHBondContact O-N 3.49Å
13Y87.3Confident85.9Confident29 Ų2955 Ų5511%0.11430%0.297CS..Hα-helixtrans-71.1-33.4-179.3-71.5-62.1000113.1E9 I10 Q16 A17 I318 Y332 C334 K337E9-Y13 HydrophobicContact CG-CD2 3.93Å; E9-Y13 HydrophobicContact CG-CE2 3.6Å; E9-Y13 WeakPolarHBondContact O-CD2 3.36Å; E9-Y13 PolarHBondContact O-N 2.9Å; E9-Y13 VanDerWaalsContact O-N 3.14Å; I10-Y13 PolarHBondContact O-N 3.27Å; Y13-Q16 PolarHBondContact O-N 2.95Å; Y13-A17 PolarHBondContact O-N 3.17Å; Y13-I318 HydrophobicContact CD1-CG2 4.02Å; Y13-I318 HydrophobicContact CE1-CG2 4.32Å; Y13-I318 VanDerWaalsContact O-CD1 3.29Å; Y13-I318 WeakPolarHBondContact O-CD1 3.5Å; Y13-Y332 HydrophobicContact CD1-CE2 4.44Å; Y13-Y332 AromaticContact CD2-CE2 3.95Å; Y13-Y332 HydrophobicContact CD2-CE2 3.95Å; Y13-Y332 HydrophobicContact CG-CD2 4.29Å; Y13-Y332 AromaticContact CG-CE2 3.67Å; Y13-Y332 HydrophobicContact CG-CE2 3.67Å; Y13-C334 HydrophobicContact CD1-CB 4.18Å; Y13-C334 HydrophobicContact CE1-CB 3.8Å; Y13-K337 HydrophobicContact CE2-CD 3.58Å; Y13-K337 PolarHBondContact OH-NZ 2.93Å; Y13-K337 VanDerWaalsContact OH-NZ 3.15Å
14L88.4Confident86.5Confident2 Ų260.4 Ų60.41%0.0132%0.318CS..Hα-helixtrans-61.1-47.2171.6-77.8-176.6000111.2I10 A11 Q16 A17 E18 V19 M26 Y332 I341I10-L14 HydrophobicContact CG2-CD1 3.68Å; I10-L14 HydrophobicContact CG2-CG 4.04Å; I10-L14 VanDerWaalsContact O-CB 3.27Å; I10-L14 WeakPolarHBondContact O-CB 3.46Å; I10-L14 VanDerWaalsContact O-CG 3.23Å; I10-L14 WeakPolarHBondContact O-CG 3.43Å; I10-L14 PolarHBondContact O-N 3.47Å; A11-L14 PolarHBondContact O-N 3.36Å; L14-Q16 VanDerWaalsContact C-N 3.27Å; L14-Q16 PolarHBondContact O-N 2.98Å; L14-A17 CarbonylContact O-C 3.51Å; L14-A17 WeakPolarHBondContact O-CA 3.26Å; L14-A17 WeakPolarHBondContact O-CB 3.34Å; L14-A17 PolarHBondContact O-N 3.47Å; L14-E18 PolarHBondContact O-N 2.85Å; L14-V19 CarbonylContact C-O 3.52Å; L14-V19 WeakPolarHBondContact CA-O 3.43Å; L14-V19 WeakPolarHBondContact CB-O 3.49Å; L14-V19 HydrophobicContact CD2-CG1 4.21Å; L14-V19 CarbonylContact O-C 3.58Å; L14-V19 PolarHBondContact O-N 3.4Å; L14-M26 HydrophobicContact CD1-CE 4.05Å; L14-Y332 HydrophobicContact CD2-CD1 3.86Å; L14-Y332 HydrophobicContact CD2-CE1 3.83Å; L14-Y332 HydrophobicContact CG-CD1 4.45Å; L14-Y332 HydrophobicContact CG-CE1 4Å; L14-I341 HydrophobicContact CD1-CD1 3.74Å; L14-I341 HydrophobicContact CD1-CG2 4.39Å; L14-I341 HydrophobicContact CD2-CB 4.35Å; L14-I341 HydrophobicContact CD2-CG2 3.51Å
15E90.6Very high86.7Confident102 Ų10261.9 Ų61.948%0.47732%0.324SS..Hα-helixtrans-57.7-39.7175.9-169.8172.8-178.100111.8A11 F12 A17 E18 R23A11-E15 WeakPolarHBondContact O-CB 3.45Å; A11-E15 PolarHBondContact O-N 2.89Å; F12-E15 PolarHBondContact O-N 2.89Å; E15-A17 VanDerWaalsContact C-N 3.26Å; E15-A17 PolarHBondContact O-N 3.35Å; E15-E18 PolarHBondContact O-N 3.46Å; E15-E18 VanDerWaalsContact O-N 3.16Å; E15-R23 IonicContact OE1-CZ 2.89Å; E15-R23 IonicContact OE1-NE 3.48Å; E15-R23 IonicContact OE1-NH2 3.89Å; E15-R23 PolarHBondContact OE1-NH2 3.37Å; E15-R23 IonicContact OE2-CZ 3.73Å; E15-R23 IonicContact OE2-NE 3.73Å; E15-R23 IonicContact OE2-NH2 3.78Å; E15-R23 PolarHBondContact OE2-NH2 3.28Å
16Q86.9Confident87.2Confident80 Ų8060.6 Ų60.637%0.37432%0.315SS..Hα-helixtrans-67.2-25.1173.2-62.6-59.7-3800113.5F12 Y13 L14 E18 S309 I318F12-Q16 HydrophobicContact CE1-CG 4.35Å; F12-Q16 HydrophobicContact CZ-CG 4.35Å; F12-Q16 WeakPolarHBondContact O-CG 3.42Å; F12-Q16 PolarHBondContact O-N 3.49Å; Y13-Q16 PolarHBondContact O-N 2.95Å; L14-Q16 VanDerWaalsContact C-N 3.27Å; L14-Q16 PolarHBondContact O-N 2.98Å; Q16-E18 PolarHBondContact O-N 2.98Å; Q16-S309 WeakPolarHBondContact O-CB 3.41Å; Q16-I318 HydrophobicContact CB-CD1 3.59Å; Q16-I318 HydrophobicContact CB-CG1 4.11Å
17A83.5Confident87.3Confident6 Ų662.7 Ų62.75%0.0532%0.322CS..THydrogen-bonded Turntrans-84.35.417600000112.8Y13 L14 E15 V19 I318 V320Y13-A17 PolarHBondContact O-N 3.17Å; L14-A17 CarbonylContact O-C 3.51Å; L14-A17 WeakPolarHBondContact O-CA 3.26Å; L14-A17 WeakPolarHBondContact O-CB 3.34Å; L14-A17 PolarHBondContact O-N 3.47Å; E15-A17 VanDerWaalsContact C-N 3.26Å; E15-A17 PolarHBondContact O-N 3.35Å; A17-V19 HydrophobicContact CB-CG1 3.85Å; A17-V19 PolarHBondContact O-N 2.85Å; A17-I318 HydrophobicContact CB-CD1 3.93Å; A17-V320 HydrophobicContact CB-CB 4.45Å; A17-V320 HydrophobicContact CB-CG1 3.91Å; A17-V320 HydrophobicContact CB-CG2 3.64Å
18E87.1Confident87.4Confident141 Ų14170.2 Ų70.266%0.65935%0.35SS*.THydrogen-bonded Turntrans60.722.9-176.9-55.6170.817300113L14 E15 Q16 K307L14-E18 PolarHBondContact O-N 2.85Å; E15-E18 PolarHBondContact O-N 3.46Å; E15-E18 VanDerWaalsContact O-N 3.16Å; Q16-E18 PolarHBondContact O-N 2.98Å; E18-K307 IonicContact OE1-NZ 3.8Å; E18-K307 PolarHBondContact OE1-NZ 3.24Å; E18-K307 IonicContact OE2-NZ 2.81Å; E18-K307 PolarHBondContact OE2-NZ 2.93Å
19V85.8Confident87.6Confident16 Ų1666.4 Ų66.410%0.09732%0.321CS..  trans-140.5131.9179.759.20000109.5L14 A17 F330 I343L14-V19 CarbonylContact C-O 3.52Å; L14-V19 WeakPolarHBondContact CA-O 3.43Å; L14-V19 WeakPolarHBondContact CB-O 3.49Å; L14-V19 HydrophobicContact CD2-CG1 4.21Å; L14-V19 CarbonylContact O-C 3.58Å; L14-V19 PolarHBondContact O-N 3.4Å; A17-V19 HydrophobicContact CB-CG1 3.85Å; A17-V19 PolarHBondContact O-N 2.85Å; V19-F330 HydrophobicContact CB-CD1 4.07Å; V19-F330 HydrophobicContact CB-CD2 4.05Å; V19-F330 HydrophobicContact CB-CE1 4.18Å; V19-F330 HydrophobicContact CB-CE2 4.17Å; V19-F330 HydrophobicContact CB-CG 3.99Å; V19-F330 HydrophobicContact CB-CZ 4.23Å; V19-F330 HydrophobicContact CG1-CB 3.79Å; V19-F330 HydrophobicContact CG1-CD1 3.75Å; V19-F330 HydrophobicContact CG1-CD2 4.19Å; V19-F330 HydrophobicContact CG1-CE1 4.33Å; V19-F330 HydrophobicContact CG1-CG 3.67Å; V19-F330 HydrophobicContact CG2-CB 4.46Å; V19-F330 HydrophobicContact CG2-CD1 4.48Å; V19-F330 HydrophobicContact CG2-CD2 3.56Å; V19-F330 HydrophobicContact CG2-CE2 3.77Å; V19-F330 HydrophobicContact CG2-CG 3.95Å; V19-F330 HydrophobicContact CG2-CZ 4.31Å; V19-I343 HydrophobicContact CG2-CD1 4.15Å
20G83.4Confident87.6Confident38 Ų3867.2 Ų67.239%0.39232%0.324SS..  trans171.4-179.917600000113
21F86.3Confident87.7Confident25 Ų2571.5 Ų71.511%0.1135%0.347CS..  trans-86.4157.3170.1-56.8-66.3000110.2E25 M26 I29 L47 K50 I59 I341 I343F21-E25 HydrophobicContact CB-CB 4.19Å; F21-E25 HydrophobicContact CB-CG 4.1Å; F21-E25 HydrophobicContact CD1-CG 4.34Å; F21-E25 HydrophobicContact CG-CG 4.46Å; F21-M26 HydrophobicContact CB-CB 4.25Å; F21-M26 HydrophobicContact CB-CE 4.43Å; F21-M26 HydrophobicContact CD2-CE 3.62Å; F21-M26 HydrophobicContact CD2-SD 3.85Å; F21-M26 HydrophobicContact CE2-CE 4.45Å; F21-I29 HydrophobicContact CB-CD1 4.46Å; F21-I29 HydrophobicContact CD1-CD1 4.04Å; F21-I29 HydrophobicContact CD2-CD1 3.77Å; F21-I29 HydrophobicContact CE1-CD1 4.25Å; F21-I29 HydrophobicContact CE2-CD1 3.96Å; F21-I29 HydrophobicContact CG-CD1 3.81Å; F21-I29 HydrophobicContact CZ-CD1 4.21Å; F21-L47 HydrophobicContact CD2-CD2 4.41Å; F21-L47 HydrophobicContact CE2-CD2 3.75Å; F21-K50 HydrophobicContact CD1-CD 4.22Å; F21-K50 HydrophobicContact CE1-CB 3.49Å; F21-K50 VanDerWaalsContact CE1-CB 3.49Å; F21-K50 HydrophobicContact CE1-CD 3.66Å; F21-K50 HydrophobicContact CE1-CG 4.23Å; F21-K50 HydrophobicContact CZ-CB 3.81Å; F21-I59 HydrophobicContact CE1-CD1 4.43Å; F21-I341 HydrophobicContact CD2-CD1 4.28Å; F21-I341 HydrophobicContact CE2-CD1 3.4Å; F21-I341 VanDerWaalsContact CE2-CD1 3.4Å; F21-I341 HydrophobicContact CZ-CD1 3.81Å; F21-I343 HydrophobicContact CD1-CD1 4.13Å; F21-I343 HydrophobicContact CE1-CD1 3.69Å; F21-I343 HydrophobicContact CE1-CG1 3.98Å; F21-I343 HydrophobicContact CE2-CD1 4.24Å; F21-I343 HydrophobicContact CZ-CD1 3.77Å; F21-I343 HydrophobicContact CZ-CG1 3.9Å
22G86.4Confident87.6Confident42 Ų4271.5 Ų71.543%0.43335%0.35SS..  trans-58.9150.2166.500000110.5E24 E25 M26G22-E24 VanDerWaalsContact C-N 3.26Å; G22-E24 PolarHBondContact O-N 2.89Å; G22-E25 WeakPolarHBondContact O-CA 3.31Å; G22-E25 WeakPolarHBondContact O-CB 3.27Å; G22-E25 PolarHBondContact O-N 3.01Å; G22-M26 PolarHBondContact O-N 3.06Å
23R87.1Confident87.5Confident180 Ų18066.4 Ų66.468%0.67933%0.327SS*.Hα-helixtrans-55.2-41.3-176.7-61.1-177.7-169.2-162.61.7112.6E15 Q27E15-R23 IonicContact OE1-CZ 2.89Å; E15-R23 IonicContact OE1-NE 3.48Å; E15-R23 IonicContact OE1-NH2 3.89Å; E15-R23 PolarHBondContact OE1-NH2 3.37Å; E15-R23 IonicContact OE2-CZ 3.73Å; E15-R23 IonicContact OE2-NE 3.73Å; E15-R23 IonicContact OE2-NH2 3.78Å; E15-R23 PolarHBondContact OE2-NH2 3.28Å; R23-Q27 WeakPolarHBondContact O-CG 3.31Å; R23-Q27 PolarHBondContact O-N 3Å; R23-Q27 VanDerWaalsContact O-N 3.13Å
24E88.5Confident87.6Confident140 Ų14070 Ų7065%0.65434%0.343SS*.Hα-helixtrans-69.7-35.1176-61.3-179.3176.500113.3G22 R28G22-E24 VanDerWaalsContact C-N 3.26Å; G22-E24 PolarHBondContact O-N 2.89Å; E24-R28 WeakPolarHBondContact O-CG 3.32Å; E24-R28 PolarHBondContact O-N 3.38Å; E24-R28 VanDerWaalsContact O-N 3.15Å; E24-R28 PolarHBondContact O-NE 3.09Å; E24-R28 IonicContact OE2-NH2 3.2Å
25E88.4Confident87.6Confident54 Ų5475.6 Ų75.625%0.25237%0.369SS..Hα-helixtrans-68.6-44.5176.8-179.2177.8-162.700109.9F21 G22 Q27 R28 I29 K50F21-E25 HydrophobicContact CB-CB 4.19Å; F21-E25 HydrophobicContact CB-CG 4.1Å; F21-E25 HydrophobicContact CD1-CG 4.34Å; F21-E25 HydrophobicContact CG-CG 4.46Å; G22-E25 WeakPolarHBondContact O-CA 3.31Å; G22-E25 WeakPolarHBondContact O-CB 3.27Å; G22-E25 PolarHBondContact O-N 3.01Å; E25-Q27 VanDerWaalsContact C-N 3.33Å; E25-Q27 PolarHBondContact O-N 3.31Å; E25-R28 WeakPolarHBondContact O-CB 3.4Å; E25-R28 PolarHBondContact O-N 2.92Å; E25-R28 VanDerWaalsContact O-N 3.16Å; E25-I29 HydrophobicContact CG-CD1 3.94Å; E25-I29 HydrophobicContact CG-CG1 4.49Å; E25-I29 VanDerWaalsContact O-CG1 3.29Å; E25-I29 WeakPolarHBondContact O-CG1 3.37Å; E25-I29 PolarHBondContact O-N 3.15Å; E25-K50 IonicContact OE1-NZ 3.88Å; E25-K50 PolarHBondContact OE1-NZ 3.48Å; E25-K50 IonicContact OE2-NZ 2.66Å
26M89.5Confident87.3Confident9 Ų970.7 Ų70.74%0.04435%0.346CS..Hα-helixtrans-60.3-41.7176.9-17265.493.600112.4V7 A11 L14 F21 G22 I29 F30 L47V7-M26 HydrophobicContact CG1-CG 3.62Å; V7-M26 HydrophobicContact CG1-SD 3.37Å; V7-M26 WeakPolarHBondContact CG1-SD 3.43Å; A11-M26 HydrophobicContact CB-CE 3.64Å; A11-M26 HydrophobicContact CB-CG 3.79Å; A11-M26 HydrophobicContact CB-SD 4.47Å; L14-M26 HydrophobicContact CD1-CE 4.05Å; F21-M26 HydrophobicContact CB-CB 4.25Å; F21-M26 HydrophobicContact CB-CE 4.43Å; F21-M26 HydrophobicContact CD2-CE 3.62Å; F21-M26 HydrophobicContact CD2-SD 3.85Å; F21-M26 HydrophobicContact CE2-CE 4.45Å; G22-M26 PolarHBondContact O-N 3.06Å; M26-I29 PolarHBondContact O-N 3.07Å; M26-F30 WeakPolarHBondContact O-CB 3.16Å; M26-F30 PolarHBondContact O-N 3.12Å; M26-L47 HydrophobicContact SD-CD2 4.32Å
27Q88.3Confident87.3Confident134 Ų13467.7 Ų67.763%0.62633%0.333SS*.Hα-helixtrans-64.2-40.8175.4-74.2178.23.100112.1R23 E25 F30 L31R23-Q27 WeakPolarHBondContact O-CG 3.31Å; R23-Q27 PolarHBondContact O-N 3Å; R23-Q27 VanDerWaalsContact O-N 3.13Å; E25-Q27 VanDerWaalsContact C-N 3.33Å; E25-Q27 PolarHBondContact O-N 3.31Å; Q27-F30 PolarHBondContact O-N 3.47Å; Q27-L31 WeakPolarHBondContact O-CG 3.21Å; Q27-L31 PolarHBondContact O-N 3Å
28R87.9Confident87.5Confident164 Ų16472.8 Ų72.862%0.61936%0.36SS*.Hα-helixtrans-63.1-42.8174.1-77.4-178.6-84-170-8.9111.9E24 E25 F30 L31 G32E24-R28 WeakPolarHBondContact O-CG 3.32Å; E24-R28 PolarHBondContact O-N 3.38Å; E24-R28 VanDerWaalsContact O-N 3.15Å; E24-R28 PolarHBondContact O-NE 3.09Å; E24-R28 IonicContact OE2-NH2 3.2Å; E25-R28 WeakPolarHBondContact O-CB 3.4Å; E25-R28 PolarHBondContact O-N 2.92Å; E25-R28 VanDerWaalsContact O-N 3.16Å; R28-F30 VanDerWaalsContact C-N 3.35Å; R28-L31 PolarHBondContact O-N 3.38Å; R28-G32 PolarHBondContact O-N 3.33Å
29I88.1Confident87.5Confident15 Ų1569 Ų698%0.07735%0.349CS..Hα-helixtrans-59.8-47.2174.9-68.7166.3000110F21 E25 M26 L31 G32 L33 L47 I59F21-I29 HydrophobicContact CB-CD1 4.46Å; F21-I29 HydrophobicContact CD1-CD1 4.04Å; F21-I29 HydrophobicContact CD2-CD1 3.77Å; F21-I29 HydrophobicContact CE1-CD1 4.25Å; F21-I29 HydrophobicContact CE2-CD1 3.96Å; F21-I29 HydrophobicContact CG-CD1 3.81Å; F21-I29 HydrophobicContact CZ-CD1 4.21Å; E25-I29 HydrophobicContact CG-CD1 3.94Å; E25-I29 HydrophobicContact CG-CG1 4.49Å; E25-I29 VanDerWaalsContact O-CG1 3.29Å; E25-I29 WeakPolarHBondContact O-CG1 3.37Å; E25-I29 PolarHBondContact O-N 3.15Å; M26-I29 PolarHBondContact O-N 3.07Å; I29-L31 VanDerWaalsContact C-N 3.35Å; I29-L31 PolarHBondContact O-N 3.47Å; I29-G32 PolarHBondContact O-N 3.31Å; I29-G32 VanDerWaalsContact O-N 3.13Å; I29-L33 HydrophobicContact CG2-CD1 3.95Å; I29-L33 HydrophobicContact CG2-CG 4.21Å; I29-L33 WeakPolarHBondContact O-CG 3.42Å; I29-L33 PolarHBondContact O-N 3.12Å; I29-L47 HydrophobicContact CG2-CD1 3.78Å; I29-L47 HydrophobicContact CG2-CD2 3.86Å; I29-L47 HydrophobicContact CG2-CG 4.44Å; I29-I59 HydrophobicContact CD1-CD1 3.77Å; I29-I59 HydrophobicContact CD1-CG1 4.31Å; I29-I59 HydrophobicContact CG1-CD1 4.16Å; I29-I59 HydrophobicContact CG1-CG1 4.15Å; I29-I59 HydrophobicContact CG1-CG2 4.33Å; I29-I59 HydrophobicContact CG2-CG2 4.15Å
30F90Very high87.2Confident79 Ų7972.5 Ų72.535%0.34636%0.364SS..Hα-helixtrans-58-45177.7175.3-110.5000112.7L4 V7 M26 Q27 R28 G32 L33 K34L4-F30 HydrophobicContact CD1-CE2 4.4Å; V7-F30 HydrophobicContact CB-CB 4.27Å; V7-F30 HydrophobicContact CB-CD2 3.78Å; V7-F30 HydrophobicContact CB-CG 4.32Å; V7-F30 HydrophobicContact CG1-CB 4.14Å; V7-F30 HydrophobicContact CG2-CB 4.47Å; V7-F30 HydrophobicContact CG2-CD2 3.58Å; V7-F30 HydrophobicContact CG2-CE2 4.33Å; V7-F30 HydrophobicContact CG2-CG 4.46Å; M26-F30 WeakPolarHBondContact O-CB 3.16Å; M26-F30 PolarHBondContact O-N 3.12Å; Q27-F30 PolarHBondContact O-N 3.47Å; R28-F30 VanDerWaalsContact C-N 3.35Å; F30-G32 VanDerWaalsContact C-N 3.33Å; F30-G32 PolarHBondContact O-N 3.42Å; F30-L33 PolarHBondContact O-N 2.98Å; F30-K34 WeakPolarHBondContact O-CB 3.46Å; F30-K34 PolarHBondContact O-N 2.87Å
31L88.7Confident87.2Confident112 Ų11272.4 Ų72.459%0.58636%0.364SS*.Hα-helixtrans-64.5-38.2176.1-69.3172.4000112.1Q27 R28 I29 K34 H35Q27-L31 WeakPolarHBondContact O-CG 3.21Å; Q27-L31 PolarHBondContact O-N 3Å; R28-L31 PolarHBondContact O-N 3.38Å; I29-L31 VanDerWaalsContact C-N 3.35Å; I29-L31 PolarHBondContact O-N 3.47Å; L31-K34 PolarHBondContact O-N 3.23Å; L31-H35 WeakPolarHBondContact O-CB 3.45Å; L31-H35 PolarHBondContact O-N 3.48Å
32G87.6Confident87Confident26 Ų2671.9 Ų71.927%0.26836%0.362SS..Hα-helixtrans-64.6-43.5174.800000112.7R28 I29 F30 K34 H35 L36R28-G32 PolarHBondContact O-N 3.33Å; I29-G32 PolarHBondContact O-N 3.31Å; I29-G32 VanDerWaalsContact O-N 3.13Å; F30-G32 VanDerWaalsContact C-N 3.33Å; F30-G32 PolarHBondContact O-N 3.42Å; G32-K34 VanDerWaalsContact C-N 3.34Å; G32-H35 PolarHBondContact O-N 2.98Å; G32-L36 WeakPolarHBondContact O-CB 3.33Å; G32-L36 PolarHBondContact O-N 3.23Å
33L87.3Confident86.7Confident1 Ų173.1 Ų73.11%0.00536%0.362CS..Hα-helixtrans-64.8-39175-67.6175000111.7L4 I29 F30 L36 V37 L47 A61 L134L4-L33 HydrophobicContact CD1-CB 4.39Å; L4-L33 HydrophobicContact CD2-CB 3.81Å; I29-L33 HydrophobicContact CG2-CD1 3.95Å; I29-L33 HydrophobicContact CG2-CG 4.21Å; I29-L33 WeakPolarHBondContact O-CG 3.42Å; I29-L33 PolarHBondContact O-N 3.12Å; F30-L33 PolarHBondContact O-N 2.98Å; L33-L36 WeakPolarHBondContact O-CB 3.05Å; L33-L36 PolarHBondContact O-N 2.7Å; L33-V37 WeakPolarHBondContact O-CG2 3.24Å; L33-V37 PolarHBondContact O-N 3.24Å; L33-L47 HydrophobicContact CD1-CB 4.09Å; L33-L47 HydrophobicContact CD1-CD1 4.49Å; L33-A61 HydrophobicContact CD2-CB 3.47Å; L33-A61 VanDerWaalsContact CD2-CB 3.47Å; L33-L134 HydrophobicContact CD2-CD1 4.04Å
34K89.4Confident86.3Confident104 Ų10470.9 Ų70.945%0.45235%0.354SS..Hα-helixtrans-62.3-48.4174.4-174-178.4175.5-175.60111.5L4 F30 L31 G32 L36 V37 D38L4-K34 HydrophobicContact CD1-CB 3.99Å; F30-K34 WeakPolarHBondContact O-CB 3.46Å; F30-K34 PolarHBondContact O-N 2.87Å; L31-K34 PolarHBondContact O-N 3.23Å; G32-K34 VanDerWaalsContact C-N 3.34Å; K34-L36 VanDerWaalsContact C-N 3.27Å; K34-L36 PolarHBondContact O-N 3.29Å; K34-V37 PolarHBondContact O-N 3.23Å; K34-D38 WeakPolarHBondContact O-CB 3.33Å; K34-D38 VanDerWaalsContact O-CG 3.23Å; K34-D38 PolarHBondContact O-N 2.87Å
35H87.7Confident86.1Confident119 Ų11964.2 Ų64.255%0.55132%0.323SS*.Hα-helixtrans-58.1-42.3175.4-179.1-79.5000111.6L31 G32 D38 S39L31-H35 WeakPolarHBondContact O-CB 3.45Å; L31-H35 PolarHBondContact O-N 3.48Å; G32-H35 PolarHBondContact O-N 2.98Å; H35-D38 PolarHBondContact O-N 3.13Å; H35-S39 VanDerWaalsContact O-CB 3.29Å; H35-S39 WeakPolarHBondContact O-CB 3.47Å; H35-S39 PolarHBondContact O-N 3.37Å; H35-S39 PolarHBondContact O-OG 3.35Å; H35-S39 VanDerWaalsContact O-OG 3.09Å
36L85.4Confident85.8Confident0 Ų063.4 Ų63.40%032%0.317CS..Hα-helixtrans-61.4-47177.6177.367.3000112.4G32 L33 K34 D38 S39 E40 L42 A61 Y132 L134 I139G32-L36 WeakPolarHBondContact O-CB 3.33Å; G32-L36 PolarHBondContact O-N 3.23Å; L33-L36 WeakPolarHBondContact O-CB 3.05Å; L33-L36 PolarHBondContact O-N 2.7Å; K34-L36 VanDerWaalsContact C-N 3.27Å; K34-L36 PolarHBondContact O-N 3.29Å; L36-D38 VanDerWaalsContact C-N 3.33Å; L36-S39 PolarHBondContact O-N 3.18Å; L36-S39 PolarHBondContact O-OG 3.46Å; L36-E40 HydrophobicContact CD1-CG 3.82Å; L36-E40 WeakPolarHBondContact O-CB 3.26Å; L36-E40 PolarHBondContact O-N 3.5Å; L36-L42 HydrophobicContact CD1-CD1 4.48Å; L36-L42 HydrophobicContact CD2-CD1 4.32Å; L36-L42 HydrophobicContact CG-CD1 3.92Å; L36-A61 HydrophobicContact CD2-CB 4.07Å; L36-Y132 HydrophobicContact CD1-CD1 3.71Å; L36-Y132 HydrophobicContact CD1-CE1 3.98Å; L36-Y132 HydrophobicContact CD1-CG 4.09Å; L36-Y132 HydrophobicContact CD2-CD1 4.39Å; L36-Y132 HydrophobicContact CD2-CD2 4.18Å; L36-Y132 HydrophobicContact CD2-CG 3.92Å; L36-L134 HydrophobicContact CD2-CD1 4.49Å; L36-I139 HydrophobicContact CD1-CD1 4.03Å; L36-I139 HydrophobicContact CD1-CG2 3.6Å
37V87.6Confident85.6Confident16 Ų1663.7 Ų63.710%0.09732%0.319CS..Hα-helixtrans-64.1-40.8177.9168.40000111.3A3 L4 L33 K34 G41 L42 C45A3-V37 HydrophobicContact CB-CG1 3.71Å; L4-V37 HydrophobicContact CD1-CG2 4.33Å; L4-V37 HydrophobicContact CD2-CG2 3.78Å; L4-V37 HydrophobicContact CG-CG2 3.92Å; L33-V37 WeakPolarHBondContact O-CG2 3.24Å; L33-V37 PolarHBondContact O-N 3.24Å; K34-V37 PolarHBondContact O-N 3.23Å; V37-G41 VanDerWaalsContact O-CA 3.26Å; V37-G41 WeakPolarHBondContact O-CA 3.39Å; V37-G41 PolarHBondContact O-N 3.36Å; V37-L42 HydrophobicContact CG2-CB 4.45Å; V37-L42 PolarHBondContact O-N 2.91Å; V37-C45 HydrophobicContact CG2-CB 3.5Å; V37-C45 VanDerWaalsContact CG2-CB 3.5Å
38D87.9Confident85.4Confident114 Ų11460 Ų6061%0.6130%0.299SS*.Hα-helixtrans-70.4-34.9179.4-68-18.9000111.8K34 H35 L36K34-D38 WeakPolarHBondContact O-CB 3.33Å; K34-D38 VanDerWaalsContact O-CG 3.23Å; K34-D38 PolarHBondContact O-N 2.87Å; H35-D38 PolarHBondContact O-N 3.13Å; L36-D38 VanDerWaalsContact C-N 3.33Å
39S85.2Confident85.2Confident62 Ų6252.1 Ų52.143%0.43427%0.27SS..Hα-helixtrans-78.6-45.1-178.866.30000113.3H35 L36H35-S39 VanDerWaalsContact O-CB 3.29Å; H35-S39 WeakPolarHBondContact O-CB 3.47Å; H35-S39 PolarHBondContact O-N 3.37Å; H35-S39 PolarHBondContact O-OG 3.35Å; H35-S39 VanDerWaalsContact O-OG 3.09Å; L36-S39 PolarHBondContact O-N 3.18Å; L36-S39 PolarHBondContact O-OG 3.46Å
40E80.8Confident84.9Confident88 Ų8852.6 Ų52.641%0.41127%0.271SS..Hα-helixtrans-93.3-7.1-176.6-59.3-60.1141.200112.4L36 L42 Y132L36-E40 HydrophobicContact CD1-CG 3.82Å; L36-E40 WeakPolarHBondContact O-CB 3.26Å; L36-E40 PolarHBondContact O-N 3.5Å; E40-L42 HydrophobicContact CB-CD1 4.03Å; E40-L42 HydrophobicContact CB-CD2 4.07Å; E40-L42 HydrophobicContact CB-CG 3.74Å; E40-L42 PolarHBondContact O-N 2.96Å; E40-Y132 HydrophobicContact CG-CE1 4.23Å
41G82.3Confident84.5Confident37 Ų3750.6 Ų50.638%0.38126%0.264SS..THydrogen-bonded Turntrans64.636.4177.600000114.1V37V37-G41 VanDerWaalsContact O-CA 3.26Å; V37-G41 WeakPolarHBondContact O-CA 3.39Å; V37-G41 PolarHBondContact O-N 3.36Å
42L82.4Confident84Confident14 Ų1447.4 Ų47.47%0.07325%0.247CC..  trans-74135.2-170.6-61.1165.8000112.3L36 V37 E40 A63 Y132L36-L42 HydrophobicContact CD1-CD1 4.48Å; L36-L42 HydrophobicContact CD2-CD1 4.32Å; L36-L42 HydrophobicContact CG-CD1 3.92Å; V37-L42 HydrophobicContact CG2-CB 4.45Å; V37-L42 PolarHBondContact O-N 2.91Å; E40-L42 HydrophobicContact CB-CD1 4.03Å; E40-L42 HydrophobicContact CB-CD2 4.07Å; E40-L42 HydrophobicContact CB-CG 3.74Å; E40-L42 PolarHBondContact O-N 2.96Å; L42-A63 HydrophobicContact CB-CB 4.46Å; L42-A63 HydrophobicContact CD1-CB 3.72Å; L42-A63 HydrophobicContact CD2-CB 4.11Å; L42-A63 HydrophobicContact CG-CB 4.3Å; L42-Y132 HydrophobicContact CD1-CE2 3.99Å; L42-Y132 HydrophobicContact CD2-CE2 4.27Å
43P79.9Confident83.5Confident67 Ų6747.2 Ų47.244%0.43525%0.245SC..SBendtrans-68.2-37.2-18025.9-32.6000112.5A3 E64A3-P43 WeakPolarHBondContact CA-O 3.3Å; A3-P43 VanDerWaalsContact CB-O 3.29Å; A3-P43 WeakPolarHBondContact CB-O 3.46Å; P43-E64 WeakPolarHBondContact CD-O 3.47Å; P43-E64 HydrophobicContact CG-CB 4.03Å; P43-E64 WeakPolarHBondContact CG-O 3.38Å
44R79.8Confident83.1Confident133 Ų13353.3 Ų53.350%0.50228%0.276SS..  trans-148.8137.7178-165.8-170.5-176.2172-0.4110.3A3 A63 E64A3-R44 CarbonylContact O-C 3.55Å; A3-R44 WeakPolarHBondContact O-CA 3.49Å; R44-A63 CarbonylContact O-C 3.46Å; R44-A63 WeakPolarHBondContact O-CA 3.26Å; R44-A63 WeakPolarHBondContact O-CB 3.42Å; R44-E64 HydrophobicContact CB-CB 4.17Å; R44-E64 HydrophobicContact CB-CG 4.09Å; R44-E64 WeakPolarHBondContact CB-OE2 3.31Å; R44-E64 WeakPolarHBondContact CD-OE1 3.16Å; R44-E64 IonicContact CZ-OE1 3.46Å; R44-E64 IonicContact NE-OE1 3.19Å; R44-E64 IonicContact NH1-OE1 2.79Å; R44-E64 PolarHBondContact NH1-OE1 3.32Å; R44-E64 PolarHBondContact O-N 3.11Å
45C84.3Confident82.5Confident1 Ų155 Ų551%0.00729%0.286CS..EExtended strand (participates in β ladder)trans-137.6134.1175.6-177.50000110.8A3 L4 P5 V37 E62 A63A3-C45 PolarHBondContact O-N 3.38Å; L4-C45 HydrophobicContact CD2-CB 3.83Å; P5-C45 WeakPolarHBondContact CD-O 3.29Å; V37-C45 HydrophobicContact CG2-CB 3.5Å; V37-C45 VanDerWaalsContact CG2-CB 3.5Å; C45-E62 CarbonylContact C-O 3.56Å; C45-E62 WeakPolarHBondContact CA-O 3.29Å; C45-A63 HydrophobicContact CB-CB 4.25Å
46R82.3Confident81.9Confident36 Ų3650.8 Ų50.814%0.13627%0.269CS..EExtended strand (participates in β ladder)trans-125.3141.4-178.2-178.5176.4-176.5-92.3-15.7109.8W48 A61 E62 E339 N340R46-W48 PolarHBondContact O-N 3.45Å; R46-A61 WeakPolarHBondContact O-CA 3.24Å; R46-E62 PolarHBondContact N-O 3.38Å; R46-E62 IonicContact NH1-OE2 2.71Å; R46-E62 PolarHBondContact O-N 3.4Å; R46-E339 IonicContact CZ-OE2 2.67Å; R46-E339 IonicContact NE-OE2 3.76Å; R46-E339 PolarHBondContact NE-OE2 3.3Å; R46-E339 IonicContact NH2-OE2 3.85Å; R46-E339 PolarHBondContact NH2-OE2 3.44Å; R46-N340 PolarHBondContact NH1-OD1 3.39Å; R46-N340 PolarHBondContact NH2-ND2 3.35Å; R46-N340 PolarHBondContact NH2-O 3.2Å; R46-N340 PolarHBondContact NH2-OD1 3.03Å
47L84.1Confident81.7Confident16 Ų1654.1 Ų54.18%0.08429%0.288CS..EExtended strand (participates in β ladder)trans-77116.2170.7-17960.2000109.4F21 M26 I29 L33 I59F21-L47 HydrophobicContact CD2-CD2 4.41Å; F21-L47 HydrophobicContact CE2-CD2 3.75Å; M26-L47 HydrophobicContact SD-CD2 4.32Å; I29-L47 HydrophobicContact CG2-CD1 3.78Å; I29-L47 HydrophobicContact CG2-CD2 3.86Å; I29-L47 HydrophobicContact CG2-CG 4.44Å; L33-L47 HydrophobicContact CD1-CB 4.09Å; L33-L47 HydrophobicContact CD1-CD1 4.49Å; L47-I59 HydrophobicContact CD1-CG2 3.65Å
48W84.5Confident81.2Confident55 Ų5557.3 Ų57.321%0.20830%0.298CS..EExtended strand (participates in β ladder)trans-82-43175.8-177.592.4000111.3R46 I51 V60 I200 Y342R46-W48 PolarHBondContact O-N 3.45Å; W48-I51 HydrophobicContact CZ3-CD1 4.34Å; W48-I51 HydrophobicContact CZ3-CG1 4.13Å; W48-V60 HydrophobicContact CB-CB 4.12Å; W48-V60 HydrophobicContact CB-CG1 3.97Å; W48-V60 WeakPolarHBondContact CB-O 3.48Å; W48-V60 HydrophobicContact CD2-CB 4.38Å; W48-V60 HydrophobicContact CD2-CG1 4.24Å; W48-V60 HydrophobicContact CE3-CB 3.77Å; W48-V60 HydrophobicContact CE3-CG1 4.03Å; W48-V60 HydrophobicContact CE3-CG2 3.97Å; W48-V60 HydrophobicContact CG-CG1 4.24Å; W48-V60 HydrophobicContact CZ3-CG2 4.3Å; W48-V60 PolarHBondContact N-O 2.87Å; W48-I200 HydrophobicContact CZ2-CD1 4.44Å; W48-Y342 AromaticContact CH2-CD1 3.54Å; W48-Y342 HydrophobicContact CH2-CD1 3.54Å; W48-Y342 HydrophobicContact CH2-CE1 4.43Å; W48-Y342 AromaticContact CH2-CG 3.59Å; W48-Y342 HydrophobicContact CH2-CG 3.59Å; W48-Y342 HydrophobicContact CZ2-CG 4.39Å; W48-Y342 AromaticContact CZ3-CD1 3.49Å; W48-Y342 HydrophobicContact CZ3-CD1 3.49Å; W48-Y342 VanDerWaalsContact CZ3-CD1 3.49Å; W48-Y342 AromaticContact CZ3-CG 3.81Å; W48-Y342 HydrophobicContact CZ3-CG 3.81Å; W48-Y342 PolarHBondContact O-N 3.33Å; W48-Y342 VanDerWaalsContact O-N 3.16Å
49G83.5Confident81Confident0 Ų053 Ų530%028%0.275CS..EExtended strand (participates in β ladder)trans157.5-158.6-178.500000115.7V60 Y342G49-V60 PolarHBondContact N-O 3.15Å; G49-V60 PolarHBondContact O-N 3.04Å; G49-Y342 CarbonylContact C-O 3.53Å; G49-Y342 WeakPolarHBondContact CA-O 3.24Å
50K82.1Confident80.7Confident25 Ų2550.4 Ų50.411%0.10926%0.256CS..EExtended strand (participates in β ladder)trans-131.9129179.3178.4176.6-177.9179.50111.2F21 E25 L52 N57 Y58 I59 Y342 I343 G344F21-K50 HydrophobicContact CD1-CD 4.22Å; F21-K50 HydrophobicContact CE1-CB 3.49Å; F21-K50 VanDerWaalsContact CE1-CB 3.49Å; F21-K50 HydrophobicContact CE1-CD 3.66Å; F21-K50 HydrophobicContact CE1-CG 4.23Å; F21-K50 HydrophobicContact CZ-CB 3.81Å; E25-K50 IonicContact OE1-NZ 3.88Å; E25-K50 PolarHBondContact OE1-NZ 3.48Å; E25-K50 IonicContact OE2-NZ 2.66Å; K50-L52 HydrophobicContact CD-CD2 4.21Å; K50-L52 HydrophobicContact CG-CD2 4.28Å; K50-N57 HydrophobicContact CD-CB 4.5Å; K50-N57 VanDerWaalsContact CE-CB 3.41Å; K50-N57 HydrophobicContact CG-CB 4.42Å; K50-Y58 CarbonylContact C-O 3.58Å; K50-Y58 VanDerWaalsContact CA-O 3.24Å; K50-Y58 WeakPolarHBondContact CA-O 3.41Å; K50-I59 HydrophobicContact CB-CD1 3.8Å; K50-I59 HydrophobicContact CD-CD1 3.92Å; K50-I59 HydrophobicContact CG-CD1 3.8Å; K50-Y342 PolarHBondContact N-O 2.71Å; K50-I343 HydrophobicContact CB-CG2 4.46Å; K50-I343 WeakPolarHBondContact O-CA 3.49Å; K50-G344 PolarHBondContact O-N 3.04Å; K50-G344 VanDerWaalsContact O-N 3.12Å
51I80.9Confident80.7Confident37 Ų3746.2 Ų46.219%0.1924%0.237CC..EExtended strand (participates in β ladder)trans-102.5123.4171.9-58.1175000108.2W48 N57 Y58 V60 G344W48-I51 HydrophobicContact CZ3-CD1 4.34Å; W48-I51 HydrophobicContact CZ3-CG1 4.13Å; I51-N57 WeakPolarHBondContact O-CA 3.4Å; I51-Y58 PolarHBondContact N-O 3Å; I51-Y58 PolarHBondContact O-N 3.19Å; I51-V60 HydrophobicContact CD1-CG2 3.9Å; I51-V60 HydrophobicContact CG1-CG2 4.05Å; I51-G344 CarbonylContact C-O 3.55Å; I51-G344 WeakPolarHBondContact CA-O 3.47Å
52L79.8Confident80.4Confident45 Ų4546.3 Ų46.324%0.23623%0.227CC..  trans-79.7131.8176.9-58.1179000110K50 N57 G344 W345K50-L52 HydrophobicContact CD-CD2 4.21Å; K50-L52 HydrophobicContact CG-CD2 4.28Å; L52-N57 WeakPolarHBondContact CA-OD1 3.38Å; L52-N57 WeakPolarHBondContact CD2-OD1 3.41Å; L52-G344 PolarHBondContact N-O 2.8Å; L52-W345 HydrophobicContact CB-CD2 3.92Å; L52-W345 HydrophobicContact CB-CE3 3.86Å; L52-W345 HydrophobicContact CB-CG 4.46Å; L52-W345 HydrophobicContact CB-CH2 4.39Å; L52-W345 HydrophobicContact CB-CZ2 4.43Å; L52-W345 HydrophobicContact CB-CZ3 4.11Å; L52-W345 HydrophobicContact CD1-CD2 4.34Å; L52-W345 HydrophobicContact CD1-CZ2 4.31Å
53G76.6Confident80.2Confident22 Ų2245.7 Ų45.723%0.22722%0.224CC..  trans-123.1168.7175.800000111.6S56 N57G53-S56 WeakPolarHBondContact CA-O 3.4Å; G53-S56 PolarHBondContact N-O 2.81Å; G53-N57 PolarHBondContact N-OD1 3.39Å
54I77.7Confident79.8Confident129 Ų12944.6 Ų44.666%0.66221%0.213SC*.SBendtrans-72.4-46.4-178.9-60172.7000110.4
55E78.5Confident79.2Confident139 Ų13941.4 Ų41.465%0.6520%0.202SC*.SBendtrans-91.8-32.7-179-63-179175.100112.6P174E55-P174 WeakPolarHBondContact OE1-CG 3.37Å
56S74.7Confident78.4Confident30 Ų3048.6 Ų48.621%0.2123%0.229CC..  trans-158.8152.3-176-600000110.9G53 Y58 K135G53-S56 WeakPolarHBondContact CA-O 3.4Å; G53-S56 PolarHBondContact N-O 2.81Å; S56-Y58 VanDerWaalsContact O-CE2 3.31Å; S56-Y58 WeakPolarHBondContact O-CE2 3.48Å; S56-K135 WeakPolarHBondContact OG-CE 3.29Å; S56-K135 PolarHBondContact OG-NZ 2.99Å
57N80.3Confident77.1Confident71 Ų7156.4 Ų56.438%0.3827%0.267SS..  trans-93.4152.6173.3-56.1-48000110K50 I51 L52 G53K50-N57 HydrophobicContact CD-CB 4.5Å; K50-N57 VanDerWaalsContact CE-CB 3.41Å; K50-N57 HydrophobicContact CG-CB 4.42Å; I51-N57 WeakPolarHBondContact O-CA 3.4Å; L52-N57 WeakPolarHBondContact CA-OD1 3.38Å; L52-N57 WeakPolarHBondContact CD2-OD1 3.41Å; G53-N57 PolarHBondContact N-OD1 3.39Å
58Y78.3Confident75.5Confident83 Ų8359 Ų5933%0.32530%0.298SS..EExtended strand (participates in β ladder)trans-120.2130-177.8-58.1-82.9000109.6K50 I51 S56 K135K50-Y58 CarbonylContact C-O 3.58Å; K50-Y58 VanDerWaalsContact CA-O 3.24Å; K50-Y58 WeakPolarHBondContact CA-O 3.41Å; I51-Y58 PolarHBondContact N-O 3Å; I51-Y58 PolarHBondContact O-N 3.19Å; S56-Y58 VanDerWaalsContact O-CE2 3.31Å; S56-Y58 WeakPolarHBondContact O-CE2 3.48Å; Y58-K135 HydrophobicContact CD1-CB 4.45Å; Y58-K135 HydrophobicContact CE1-CD 4.14Å
59I83.2Confident73.8Confident22 Ų2260.3 Ų60.311%0.11331%0.307CS..EExtended strand (participates in β ladder)trans-93.7134.1169.1-57.1-59.2000107.7F21 I29 L47 K50 L134F21-I59 HydrophobicContact CE1-CD1 4.43Å; I29-I59 HydrophobicContact CD1-CD1 3.77Å; I29-I59 HydrophobicContact CD1-CG1 4.31Å; I29-I59 HydrophobicContact CG1-CD1 4.16Å; I29-I59 HydrophobicContact CG1-CG1 4.15Å; I29-I59 HydrophobicContact CG1-CG2 4.33Å; I29-I59 HydrophobicContact CG2-CG2 4.15Å; L47-I59 HydrophobicContact CD1-CG2 3.65Å; K50-I59 HydrophobicContact CB-CD1 3.8Å; K50-I59 HydrophobicContact CD-CD1 3.92Å; K50-I59 HydrophobicContact CG-CD1 3.8Å; I59-L134 HydrophobicContact CB-CB 4.02Å; I59-L134 HydrophobicContact CG2-CD1 4.17Å; I59-L134 PolarHBondContact N-O 2.84Å; I59-L134 PolarHBondContact O-N 2.97Å
60V79Confident72Confident8 Ų867.1 Ų67.15%0.04834%0.338CS..EExtended strand (participates in β ladder)trans-112.5124-176.3-171.80000108.7W48 G49 I51 I131 Y132 L133W48-V60 HydrophobicContact CB-CB 4.12Å; W48-V60 HydrophobicContact CB-CG1 3.97Å; W48-V60 WeakPolarHBondContact CB-O 3.48Å; W48-V60 HydrophobicContact CD2-CB 4.38Å; W48-V60 HydrophobicContact CD2-CG1 4.24Å; W48-V60 HydrophobicContact CE3-CB 3.77Å; W48-V60 HydrophobicContact CE3-CG1 4.03Å; W48-V60 HydrophobicContact CE3-CG2 3.97Å; W48-V60 HydrophobicContact CG-CG1 4.24Å; W48-V60 HydrophobicContact CZ3-CG2 4.3Å; W48-V60 PolarHBondContact N-O 2.87Å; G49-V60 PolarHBondContact N-O 3.15Å; G49-V60 PolarHBondContact O-N 3.04Å; I51-V60 HydrophobicContact CD1-CG2 3.9Å; I51-V60 HydrophobicContact CG1-CG2 4.05Å; V60-I131 HydrophobicContact CG1-CG2 3.62Å; V60-Y132 WeakPolarHBondContact CA-O 3.41Å; V60-L133 HydrophobicContact CG2-CD2 3.94Å
61A80.6Confident69.8Low0 Ų073.6 Ų73.60%037%0.369CS..EExtended strand (participates in β ladder)trans-114.7136.5173.600000110.2L33 L36 R46 I131 Y132 L134L33-A61 HydrophobicContact CD2-CB 3.47Å; L33-A61 VanDerWaalsContact CD2-CB 3.47Å; L36-A61 HydrophobicContact CD2-CB 4.07Å; R46-A61 WeakPolarHBondContact O-CA 3.24Å; A61-I131 WeakPolarHBondContact O-CA 3.38Å; A61-Y132 PolarHBondContact N-O 3.09Å; A61-Y132 PolarHBondContact O-N 3.3Å; A61-L134 HydrophobicContact CB-CD1 3.82Å
62E75.5Confident67.4Low39 Ų3980 Ų8018%0.18240%0.398CS..EExtended strand (participates in β ladder)trans-104.2129.3175.6178.6-175.6-17100107.4C45 R46 F129 C130C45-E62 CarbonylContact C-O 3.56Å; C45-E62 WeakPolarHBondContact CA-O 3.29Å; R46-E62 PolarHBondContact N-O 3.38Å; R46-E62 IonicContact NH1-OE2 2.71Å; R46-E62 PolarHBondContact O-N 3.4Å; E62-F129 HydrophobicContact CG-CB 4.11Å; E62-F129 HydrophobicContact CG-CD1 4.07Å; E62-F129 HydrophobicContact CG-CG 4.29Å; E62-C130 WeakPolarHBondContact CA-O 3.46Å
63A77.9Confident65.5Low1 Ų184.3 Ų84.31%0.00842%0.417CS..EExtended strand (participates in β ladder)trans-135.9146.6179.900000111.7L42 R44 C45 F129 C130 Y132L42-A63 HydrophobicContact CB-CB 4.46Å; L42-A63 HydrophobicContact CD1-CB 3.72Å; L42-A63 HydrophobicContact CD2-CB 4.11Å; L42-A63 HydrophobicContact CG-CB 4.3Å; R44-A63 CarbonylContact O-C 3.46Å; R44-A63 WeakPolarHBondContact O-CA 3.26Å; R44-A63 WeakPolarHBondContact O-CB 3.42Å; C45-A63 HydrophobicContact CB-CB 4.25Å; A63-F129 CarbonylContact O-C 3.58Å; A63-F129 WeakPolarHBondContact O-CA 3.45Å; A63-C130 PolarHBondContact N-O 2.98Å; A63-C130 PolarHBondContact O-N 3.48Å; A63-Y132 HydrophobicContact CB-CD2 4.21Å; A63-Y132 HydrophobicContact CB-CE2 3.92Å
64E72.5Confident63.2Low44 Ų4488 Ų8821%0.20644%0.439CS..EExtended strand (participates in β ladder)trans-74.8141.1176-74.1170.9-171.600110.2P43 R44 L128 F129P43-E64 WeakPolarHBondContact CD-O 3.47Å; P43-E64 HydrophobicContact CG-CB 4.03Å; P43-E64 WeakPolarHBondContact CG-O 3.38Å; R44-E64 HydrophobicContact CB-CB 4.17Å; R44-E64 HydrophobicContact CB-CG 4.09Å; R44-E64 WeakPolarHBondContact CB-OE2 3.31Å; R44-E64 WeakPolarHBondContact CD-OE1 3.16Å; R44-E64 IonicContact CZ-OE1 3.46Å; R44-E64 IonicContact NE-OE1 3.19Å; R44-E64 IonicContact NH1-OE1 2.79Å; R44-E64 PolarHBondContact NH1-OE1 3.32Å; R44-E64 PolarHBondContact O-N 3.11Å; E64-L128 WeakPolarHBondContact CA-O 3.42Å; E64-F129 HydrophobicContact CB-CD1 4.45Å; E64-F129 HydrophobicContact CG-CD1 3.55Å; E64-F129 HydrophobicContact CG-CE1 3.24Å; E64-F129 HydrophobicContact CG-CZ 4.18Å
65Y68.1Low61Low66 Ų6687.9 Ų87.926%0.25944%0.439SS..PPolyproline II helixtrans-64.9152.2173.5-86.5-99.3000111.1P127 L128 F129 C130Y65-P127 WeakPolarHBondContact CD2-O 3.48Å; Y65-P127 HydrophobicContact CE2-CB 4.16Å; Y65-P127 HydrophobicContact CE2-CG 3.81Å; Y65-P127 WeakPolarHBondContact CE2-O 3.34Å; Y65-L128 PolarHBondContact N-O 2.89Å; Y65-F129 VanDerWaalsContact CE2-C 3.43Å; Y65-F129 WeakPolarHBondContact CE2-O 3.17Å; Y65-C130 VanDerWaalsContact CD2-SG 3.54Å; Y65-C130 WeakPolarHBondContact CE1-SG 3.01Å; Y65-C130 HydrophobicContact CE2-CB 4.23Å; Y65-C130 WeakPolarHBondContact CE2-SG 2.79Å
66R67.3Low58.6Low152 Ų15289.6 Ų89.657%0.57445%0.447SS*.PPolyproline II helixtrans-83.6129.8166.5-168.8178.6-179.1114.80.5109G68 E69R66-G68 PolarHBondContact O-N 3.14Å; R66-G68 VanDerWaalsContact O-N 3.08Å; R66-E69 PolarHBondContact O-N 3.5Å
67E53.1Low56.5Low200 Ų20095.7 Ų95.794%0.93548%0.477SS*.THydrogen-bonded Turntrans-55.6115.1172.5-68177.7172.400109.3
68G51.4Low53.9Low72 Ų72100.2 Ų100.274%0.74250%0.496SS*.THydrogen-bonded Turntrans115.6-1176.900000117.8R66 E70R66-G68 PolarHBondContact O-N 3.14Å; R66-G68 VanDerWaalsContact O-N 3.08Å; G68-E70 VanDerWaalsContact C-N 3.32Å
69E49.6Very low51.5Low82 Ų82101.9 Ų101.938%0.38352%0.517SS..  trans-84.83.1174.4-77.1-178.3-163.500114.2R66 E71 R141R66-E69 PolarHBondContact O-N 3.5Å; E69-E71 VanDerWaalsContact C-N 3.33Å; E69-E71 PolarHBondContact O-N 2.8Å; E69-R141 IonicContact OE2-CZ 3.65Å; E69-R141 IonicContact OE2-NH1 3.08Å; E69-R141 PolarHBondContact OE2-NH1 3.06Å; E69-R141 VanDerWaalsContact OE2-NH1 3.08Å; E69-R141 IonicContact OE2-NH2 3.85Å; E69-R141 PolarHBondContact OE2-NH2 3.11Å
70E44.9Very low48.7Very low142 Ų142105.7 Ų105.766%0.66455%0.551SS**THydrogen-bonded Turntrans-71.9-16.8-170.9-65.8-175.2161.200114.9G68 S126G68-E70 VanDerWaalsContact C-N 3.32Å; E70-S126 WeakPolarHBondContact OE1-CB 3.01Å; E70-S126 PolarHBondContact OE1-OG 3.16Å
71E35Very low46.3Very low161 Ų161114.2 Ų114.275%0.75259%0.591SS**THydrogen-bonded Turntrans-100.6-15.5-164.8-69.2-175.8169.700116E69E69-E71 VanDerWaalsContact C-N 3.33Å; E69-E71 PolarHBondContact O-N 2.8Å
72Q32.2Very low43.9Very low171 Ų171122.9 Ų122.980%0.79963%0.631SS**SBendtrans-89.3-23.9-164.9-79.1179.9-10.300116.3
73E39Very low41.6Very low136 Ų136130.6 Ų130.664%0.63667%0.667SS**SBendtrans-102.6-0.6-170.6-68.8-171.6178.200115.1I75 N143E73-I75 VanDerWaalsContact C-N 3.34Å; E73-N143 PolarHBondContact OE2-ND2 3.18Å
74S29.1Very low39.3Very low100 Ų100140 Ų14070%0.69971%0.708SS**SBendtrans-83.9-4.3179.164.40000114.7
75I31.8Very low37.1Very low126 Ų126146.8 Ų146.865%0.64674%0.74SS**SBendtrans-99.8-20.6-171.8-59.2176.2000112.9E73 D77E73-I75 VanDerWaalsContact C-N 3.34Å; I75-D77 VanDerWaalsContact C-N 3.34Å; I75-D77 PolarHBondContact O-N 2.86Å
76E27.8Very low35.2Very low175 Ų175149.8 Ų149.882%0.81877%0.767SS**THydrogen-bonded Turntrans-78.3-9.9-171.2-68.6-169.6160.700115.3
77D30.8Very low33.3Very low158 Ų158152 Ų15285%0.84578%0.784SS**THydrogen-bonded Turntrans-100.519.2-175.3-87.5-19.1000115.2I75 P79I75-D77 VanDerWaalsContact C-N 3.34Å; I75-D77 PolarHBondContact O-N 2.86Å; D77-P79 WeakPolarHBondContact O-CD 3.5Å
78Q25.8Very low32.1Very low167 Ų167150.1 Ų150.178%0.7878%0.78SS**  trans-88.9114.8167.7-67.3-166.220.500110.5A80Q78-A80 PolarHBondContact O-N 2.88Å
79P26.6Very low31.2Very low118 Ų118151.3 Ų151.377%0.76678%0.775SS**PPolyproline II helixtrans-65.9128.7170.626.6-30000108.9D77 E81D77-P79 WeakPolarHBondContact O-CD 3.5Å; P79-E81 PolarHBondContact O-N 3.42Å
80A24.7Very low30.1Very low101 Ų101155.9 Ų155.984%0.83580%0.797SS**PPolyproline II helixtrans-54.7118.3176.200000110.4Q78 E82Q78-A80 PolarHBondContact O-N 2.88Å; A80-E82 PolarHBondContact O-N 2.96Å
81E28.5Very low29.2Very low188 Ų188156.4 Ų156.488%0.87980%0.804SS**PPolyproline II helixtrans-66.6116.7170.7-68.7-176.4162.700108.8P79 E83P79-E81 PolarHBondContact O-N 3.42Å; E81-E83 PolarHBondContact O-N 2.77Å
82E30.5Very low28.8Very low182 Ų182156.5 Ų156.585%0.8580%0.804SS**  trans-67.4115167.2-75.7-179.416100109.1A80 K84A80-E82 PolarHBondContact O-N 2.96Å; E82-K84 PolarHBondContact O-N 3.4Å
83E27.9Very low28.5Very low200 Ų200156.9 Ų156.994%0.93581%0.806SS**  trans-60.9120.5170.6-66.4-179.2159.200110.2E81E81-E83 PolarHBondContact O-N 2.77Å
84K28.7Very low27.8Very low198 Ų198156.3 Ų156.386%0.86181%0.812SS**  trans-105.6125.2163.3-79.5-171.9176.6179.70109.8E82E82-K84 PolarHBondContact O-N 3.4Å
85E26.6Very low27.7Very low187 Ų187161.1 Ų161.187%0.87482%0.823SS**PPolyproline II helixtrans-60.9153.3174.4-67.5-172.1155.300112.4
86P28.9Very low27.3Very low130 Ų130160.7 Ų160.784%0.84483%0.826SS**PPolyproline II helixtrans-89.4128.2-175.833.7-30.7000112.5
87E26.8Very low27.2Very low199 Ų199164.4 Ų164.493%0.9383%0.833SS**PPolyproline II helixtrans-97135.1162.8-78.1-170159.900111.3
88N26.8Very low27Very low159 Ų159164.9 Ų164.985%0.8583%0.83SS**PPolyproline II helixtrans-79.8146.1-176.7-162.437.3000111.1
89P33.9Very low27.1Very low98 Ų98164.4 Ų164.464%0.63683%0.833SS**PPolyproline II helixtrans-92.1154.2-173.836.1-28.6000112.2
90E24.9Very low27.1Very low178 Ų178165.2 Ų165.283%0.83283%0.829SS**  trans145.3103.4146.9-81.3173.4-166.600111
91N27.3Very low27Very low152 Ų152169.3 Ų169.381%0.81383%0.831SS**  174.4143.3101.2-113.2-25.9000112.9
92E25.2Very low26.9Very low164 Ų164170.4 Ų170.477%0.76683%0.828SS**  trans-61.5150-178.4-58.8168.9149.400114
93Q26.2Very low26.7Very low179 Ų179166.8 Ų166.884%0.83682%0.823SS**  173.5115.1108.9-89.1173.818.100113.3
94V25.9Very low26.5Very low124 Ų124163.8 Ų163.875%0.75282%0.818SS**  trans16.9124140.5-172.10000119.4
95E25.5Very low26.4Very low200 Ų200159.3 Ų159.394%0.93581%0.812SS**  -156.7135.5121.4-112.4178.9-16000113.5
96V24.4Very low26.3Very low118 Ų118153.5 Ų153.572%0.71580%0.803SS**  trans-83.9132.2-168.9170.90000110.4
97R26Very low26.3Very low252 Ų252153.9 Ų153.995%0.95180%0.803SS**  trans-147.5127.1143.9-100.4177.8-161.9-148.21.3111.3
98Q26.6Very low26.1Very low169 Ų169151.3 Ų151.379%0.7980%0.795SS**  trans-59.3142.2-175.5-64.3157.5-38.300111.8
99N26.5Very low26.1Very low156 Ų156149.7 Ų149.783%0.83479%0.793SS**  trans-163104.2143.4-93.3-11.2000111.5
100I26.7Very low25.7Very low136 Ų136151.2 Ų151.270%0.69780%0.801SS**  trans42108.1142.7-48.7176.4000117.7Y102I100-Y102 HydrophobicContact CG2-CE2 4.43Å
101H23.5Very low25.7Very low187 Ų187150.3 Ų150.387%0.86680%0.799SS**  trans-60.6124.4165.4-71.2-79.5000112.5
102Y26.5Very low25.6Very low211 Ų211147.2 Ų147.283%0.82779%0.787SS**  trans-111.3116.2140.9-75.3-78.6000108I100 T104I100-Y102 HydrophobicContact CG2-CE2 4.43Å; Y102-T104 PolarHBondContact O-N 2.61Å
103S25.1Very low25.7Very low105 Ų105145.9 Ų145.973%0.73479%0.79SS**  trans-71.5103.5171.7168.70000109.1
104T25.5Very low25.6Very low137 Ų137146.7 Ų146.784%0.8479%0.786SS**  trans-106.775.8159.8-46.30000108.3Y102Y102-T104 PolarHBondContact O-N 2.61Å
105S25.1Very low25.5Very low104 Ų104146.2 Ų146.273%0.72779%0.786SS**  trans-76119.716155.60000108.6
106G25.6Very low25.7Very low66 Ų66142 Ų14268%0.6878%0.778SS**  trans147.961.4172.700000112.4D108G106-D108 PolarHBondContact O-N 3.39Å
107T27.8Very low25.8Very low138 Ų138138.4 Ų138.485%0.84777%0.766SS**  trans-54.1126.5152.943.20000107.8
108D23.6Very low26.1Very low145 Ų145132.9 Ų132.978%0.77576%0.763SS**  trans-43.6134.9169.1-95.9-34.1000109.5G106 T110G106-D108 PolarHBondContact O-N 3.39Å; D108-T110 PolarHBondContact O-N 2.93Å
109P25.9Very low26.3Very low124 Ų124130.8 Ų130.881%0.80576%0.757SS**  trans-63.2102.2176.224.8-30.4000108.3M111P109-M111 PolarHBondContact O-N 3.47Å; P109-M111 VanDerWaalsContact O-N 3.16Å
110T27.1Very low26.5Very low130 Ų130125.9 Ų125.980%0.79874%0.743SS**PPolyproline II helixtrans-57.3118.3165.4-53.20000106.2D108D108-T110 PolarHBondContact O-N 2.93Å
111M23.9Very low26.7Very low159 Ų159128.4 Ų128.478%0.78375%0.745SS**PPolyproline II helixtrans-54.7137.4173.4-100.5-142.6-66.200109.1P109 V113P109-M111 PolarHBondContact O-N 3.47Å; P109-M111 VanDerWaalsContact O-N 3.16Å; M111-V113 PolarHBondContact O-N 2.92Å; M111-V113 VanDerWaalsContact O-N 3.11Å
112P24.8Very low27Very low87 Ų87123.7 Ų123.757%0.56573%0.733SS**PPolyproline II helixtrans-61.8119.7176.224.5-30.9000109.3Y114P112-Y114 PolarHBondContact O-N 3.3Å; P112-Y114 VanDerWaalsContact O-N 3.15Å
113V27.7Very low27.1Very low136 Ų136121.2 Ų121.282%0.82474%0.735SS**  trans-65.3109.6159.9177.70000105.7M111 P115M111-V113 PolarHBondContact O-N 2.92Å; M111-V113 VanDerWaalsContact O-N 3.11Å; V113-P115 WeakPolarHBondContact O-CD 3.42Å
114Y24.3Very low27.4Very low196 Ų196124 Ų12477%0.76973%0.73SS**  trans-66.4120.5175.5-69.9-83.3000108.6P112 S116P112-Y114 PolarHBondContact O-N 3.3Å; P112-Y114 VanDerWaalsContact O-N 3.15Å; Y114-S116 PolarHBondContact O-N 3.32Å
115P24.3Very low27.8Very low114 Ų114125.1 Ų125.174%0.7472%0.724SS**  trans-65.4137.4174.425.7-30.8000109.2V113 G117V113-P115 WeakPolarHBondContact O-CD 3.42Å; P115-G117 PolarHBondContact O-N 3Å
116S29.7Very low28.3Very low111 Ų111123 Ų12378%0.77671%0.709SS**  trans-57101.9170.8-40.90000108.5Y114Y114-S116 PolarHBondContact O-N 3.32Å
117G26.7Very low29.2Very low44 Ų44122 Ų12245%0.45469%0.69SS.*  trans-60.2152.5171.600000109.7P115 N119 G120P115-G117 PolarHBondContact O-N 3Å; G117-N119 PolarHBondContact O-N 2.96Å; G117-G120 PolarHBondContact O-N 2.91Å; G117-G120 VanDerWaalsContact O-N 3.11Å
118P31.5Very low30.3Very low136 Ų136120.3 Ų120.388%0.88368%0.675SS**THydrogen-bonded Turntrans-63.44.1-174.924.9-32.8000114.8
119N30.6Very low31.7Very low125 Ų125116 Ų11667%0.66865%0.65SS**THydrogen-bonded Turntrans-118.318.9178.3-64-6.6000113.6G117 Y121G117-N119 PolarHBondContact O-N 2.96Å; N119-Y121 HydrophobicContact CB-CD2 4.26Å; N119-Y121 HydrophobicContact CB-CE2 4.2Å; N119-Y121 WeakPolarHBondContact O-CD2 3.18Å; N119-Y121 WeakPolarHBondContact O-CE2 2.88Å; N119-Y121 PolarHBondContact O-N 3.48Å
120G31.2Very low33.2Very low53 Ų53110.2 Ų110.255%0.54661%0.612SS.*  trans51.739.9155.800000118G117 Y124G117-G120 PolarHBondContact O-N 2.91Å; G117-G120 VanDerWaalsContact O-N 3.11Å; G120-Y124 WeakPolarHBondContact O-CE2 3.44Å
121Y30.6Very low34.9Very low188 Ų188106.2 Ų106.274%0.73759%0.585SS**  trans-115.973.5173.8-60.3-72.9000111.1N119 Y124N119-Y121 HydrophobicContact CB-CD2 4.26Å; N119-Y121 HydrophobicContact CB-CE2 4.2Å; N119-Y121 WeakPolarHBondContact O-CD2 3.18Å; N119-Y121 WeakPolarHBondContact O-CE2 2.88Å; N119-Y121 PolarHBondContact O-N 3.48Å; Y121-Y124 HydrophobicContact CD1-CD2 4.17Å; Y121-Y124 AromaticContact CD1-CE2 3.45Å; Y121-Y124 HydrophobicContact CD1-CE2 3.45Å; Y121-Y124 VanDerWaalsContact CD1-CE2 3.45Å; Y121-Y124 HydrophobicContact CE1-CE2 4.06Å; Y121-Y124 HydrophobicContact CG-CE2 4.38Å
122S30Very low36.7Very low88 Ų8898.8 Ų98.862%0.61555%0.549SS*.SBendtrans-151.6128.3155.957.90000108.1
123N29.1Very low38.6Very low160 Ų16096.3 Ų96.386%0.85653%0.531SS*.  trans9059.3-170.8-51.8-30000116.7
124Y30.7Very low40.5Very low164 Ų16490.8 Ų90.864%0.64350%0.496SS*.  trans-103.546.6168.6-82.5-83000113.5G120 Y121G120-Y124 WeakPolarHBondContact O-CE2 3.44Å; Y121-Y124 HydrophobicContact CD1-CD2 4.17Å; Y121-Y124 AromaticContact CD1-CE2 3.45Å; Y121-Y124 HydrophobicContact CD1-CE2 3.45Å; Y121-Y124 VanDerWaalsContact CD1-CE2 3.45Å; Y121-Y124 HydrophobicContact CE1-CE2 4.06Å; Y121-Y124 HydrophobicContact CG-CE2 4.38Å
125F34.1Very low42.7Very low160 Ų16084.9 Ų84.970%0.70248%0.475SS*.  trans-139.275.8157.7-81.4-79.9000107.3
126S34.6Very low44.8Very low59 Ų5987 Ų8741%0.41348%0.48SS..  trans-55.2127.9156.538.40000106.9E70 L128E70-S126 WeakPolarHBondContact OE1-CB 3.01Å; E70-S126 PolarHBondContact OE1-OG 3.16Å; S126-L128 PolarHBondContact O-N 3.15Å
127P45.9Very low46.2Very low44 Ų4493.4 Ų93.429%0.28649%0.487SS..  trans-62.3114.5178.824.1-30.5000106.9Y65 F129 L146Y65-P127 WeakPolarHBondContact CD2-O 3.48Å; Y65-P127 HydrophobicContact CE2-CB 4.16Å; Y65-P127 HydrophobicContact CE2-CG 3.81Å; Y65-P127 WeakPolarHBondContact CE2-O 3.34Å; P127-F129 PolarHBondContact O-N 2.81Å; P127-L146 HydrophobicContact CB-CD1 4.37Å
128L50.2Low47.9Very low103 Ų10398.2 Ų98.254%0.53949%0.492SS..SBendtrans-58.5-16.2176.8-10376.7000112.3E64 Y65 S126E64-L128 WeakPolarHBondContact CA-O 3.42Å; Y65-L128 PolarHBondContact N-O 2.89Å; S126-L128 PolarHBondContact O-N 3.15Å
129F53.1Low49.7Very low55 Ų5594 Ų9424%0.24146%0.462CS..EExtended strand (participates in β ladder)trans-134.2137.9-172.2-54.6-87.7000113.6E62 A63 E64 Y65 P127 Y205E62-F129 HydrophobicContact CG-CB 4.11Å; E62-F129 HydrophobicContact CG-CD1 4.07Å; E62-F129 HydrophobicContact CG-CG 4.29Å; A63-F129 CarbonylContact O-C 3.58Å; A63-F129 WeakPolarHBondContact O-CA 3.45Å; E64-F129 HydrophobicContact CB-CD1 4.45Å; E64-F129 HydrophobicContact CG-CD1 3.55Å; E64-F129 HydrophobicContact CG-CE1 3.24Å; E64-F129 HydrophobicContact CG-CZ 4.18Å; Y65-F129 VanDerWaalsContact CE2-C 3.43Å; Y65-F129 WeakPolarHBondContact CE2-O 3.17Å; P127-F129 PolarHBondContact O-N 2.81Å; F129-Y205 HydrophobicContact CZ-CE2 4.22Å
130C58.1Low51.4Low3 Ų391 Ų912%0.0244%0.443CS..EExtended strand (participates in β ladder)trans-91145.9166.9-72.40000111.2E62 A63 Y65 Y132 R141E62-C130 WeakPolarHBondContact CA-O 3.46Å; A63-C130 PolarHBondContact N-O 2.98Å; A63-C130 PolarHBondContact O-N 3.48Å; Y65-C130 VanDerWaalsContact CD2-SG 3.54Å; Y65-C130 WeakPolarHBondContact CE1-SG 3.01Å; Y65-C130 HydrophobicContact CE2-CB 4.23Å; Y65-C130 WeakPolarHBondContact CE2-SG 2.79Å; C130-Y132 HydrophobicContact CB-CD2 4.24Å; C130-Y132 HydrophobicContact CB-CE2 3.56Å; C130-R141 PolarHBondContact SG-NH2 2.92Å
131I61.8Low52.9Low45 Ų4591.6 Ų91.623%0.23143%0.429CS..EExtended strand (participates in β ladder)trans-110.2126.6171.8-62.4172.2000109.8V60 A61 L142 L144 L149V60-I131 HydrophobicContact CG1-CG2 3.62Å; A61-I131 WeakPolarHBondContact O-CA 3.38Å; I131-L142 HydrophobicContact CB-CD1 4.47Å; I131-L142 HydrophobicContact CG2-CD1 4Å; I131-L142 PolarHBondContact O-N 3.49Å; I131-L144 HydrophobicContact CB-CD1 4.2Å; I131-L144 HydrophobicContact CD1-CD1 3.78Å; I131-L144 HydrophobicContact CG1-CD1 4.37Å; I131-L149 HydrophobicContact CD1-CD2 4.26Å
132Y61.9Low54.1Low3 Ų384 Ų841%0.01240%0.401CS..EExtended strand (participates in β ladder)trans-110.5130.5176.5-67.4-92.3000110.7L36 E40 L42 V60 A61 A63 C130 I139 R141L36-Y132 HydrophobicContact CD1-CD1 3.71Å; L36-Y132 HydrophobicContact CD1-CE1 3.98Å; L36-Y132 HydrophobicContact CD1-CG 4.09Å; L36-Y132 HydrophobicContact CD2-CD1 4.39Å; L36-Y132 HydrophobicContact CD2-CD2 4.18Å; L36-Y132 HydrophobicContact CD2-CG 3.92Å; E40-Y132 HydrophobicContact CG-CE1 4.23Å; L42-Y132 HydrophobicContact CD1-CE2 3.99Å; L42-Y132 HydrophobicContact CD2-CE2 4.27Å; V60-Y132 WeakPolarHBondContact CA-O 3.41Å; A61-Y132 PolarHBondContact N-O 3.09Å; A61-Y132 PolarHBondContact O-N 3.3Å; A63-Y132 HydrophobicContact CB-CD2 4.21Å; A63-Y132 HydrophobicContact CB-CE2 3.92Å; C130-Y132 HydrophobicContact CB-CD2 4.24Å; C130-Y132 HydrophobicContact CB-CE2 3.56Å; Y132-I139 HydrophobicContact CD1-CG2 3.83Å; Y132-I139 HydrophobicContact CE1-CG2 4.49Å; Y132-R141 HydrophobicContact CD1-CB 4.11Å; Y132-R141 HydrophobicContact CE1-CB 3.75Å; Y132-R141 HydrophobicContact CE1-CG 3.93Å
133L65.1Low55Low36 Ų3684 Ų8419%0.18839%0.394CS..EExtended strand (participates in β ladder)trans-97.7121.4169.2-67.5176.9000109.7V60 K140 L142V60-L133 HydrophobicContact CG2-CD2 3.94Å; L133-K140 PolarHBondContact N-O 3.08Å; L133-K140 PolarHBondContact O-N 3.16Å; L133-L142 HydrophobicContact CD1-CD1 3.84Å; L133-L142 HydrophobicContact CD1-CD2 3.93Å; L133-L142 HydrophobicContact CD1-CG 4.1Å; L133-L142 HydrophobicContact CD2-CD1 4.5Å; L133-L142 HydrophobicContact CG-CD1 3.88Å; L133-L142 HydrophobicContact CG-CG 4.18Å
134L68Low55.7Low20 Ų2077.2 Ų77.211%0.10536%0.357CS..EExtended strand (participates in β ladder)trans-107.8120.1179.4-68.5140.8000109L33 L36 I59 A61 I139L33-L134 HydrophobicContact CD2-CD1 4.04Å; L36-L134 HydrophobicContact CD2-CD1 4.49Å; I59-L134 HydrophobicContact CB-CB 4.02Å; I59-L134 HydrophobicContact CG2-CD1 4.17Å; I59-L134 PolarHBondContact N-O 2.84Å; I59-L134 PolarHBondContact O-N 2.97Å; A61-L134 HydrophobicContact CB-CD1 3.82Å; L134-I139 HydrophobicContact CD2-CD1 4.39Å; L134-I139 HydrophobicContact CD2-CG1 3.8Å
135K69.8Low56.2Low71 Ų7174.4 Ų74.431%0.30935%0.354SS..EExtended strand (participates in β ladder)trans-131.5107.7170179.3-179.9168.41770108.8S56 Y58 R137 Y138S56-K135 WeakPolarHBondContact OG-CE 3.29Å; S56-K135 PolarHBondContact OG-NZ 2.99Å; Y58-K135 HydrophobicContact CD1-CB 4.45Å; Y58-K135 HydrophobicContact CE1-CD 4.14Å; K135-R137 PolarHBondContact O-N 3.02Å; K135-Y138 PolarHBondContact N-O 2.91Å; K135-Y138 WeakPolarHBondContact O-CB 3.47Å; K135-Y138 PolarHBondContact O-N 2.86Å
136D67.7Low56.2Low160 Ų16070.6 Ų70.686%0.85634%0.34SS*.THydrogen-bonded Turntrans53.3-102.1-174.8-56.5-44.2000112.7
137R59.5Low56Low244 Ų24472.5 Ų72.592%0.92135%0.351SS*.THydrogen-bonded Turntrans-103.9-4.8175-55.6-166.6-154.1-164.96.5113.7K135K135-R137 PolarHBondContact O-N 3.02Å
138Y63.2Low55.3Low145 Ų14574.8 Ų74.857%0.56936%0.357SS*.EExtended strand (participates in β ladder)trans-87.4122.1-177.6-156.5-89.5000109.5K135 K140K135-Y138 PolarHBondContact N-O 2.91Å; K135-Y138 WeakPolarHBondContact O-CB 3.47Å; K135-Y138 PolarHBondContact O-N 2.86Å; Y138-K140 HydrophobicContact CD1-CB 4.4Å; Y138-K140 HydrophobicContact CE1-CB 4.12Å
139I68.5Low54.5Low49 Ų4972.8 Ų72.825%0.25135%0.346SS..EExtended strand (participates in β ladder)trans-111.7124175.1-63.9167.6000106.5L36 Y132 L134L36-I139 HydrophobicContact CD1-CD1 4.03Å; L36-I139 HydrophobicContact CD1-CG2 3.6Å; Y132-I139 HydrophobicContact CD1-CG2 3.83Å; Y132-I139 HydrophobicContact CE1-CG2 4.49Å; L134-I139 HydrophobicContact CD2-CD1 4.39Å; L134-I139 HydrophobicContact CD2-CG1 3.8Å
140K66.8Low53.4Low61 Ų6172.1 Ų72.127%0.26535%0.347SS..EExtended strand (participates in β ladder)trans-122117.8171.2-171.3173.7-177.6179.30109.4L133 Y138 F175L133-K140 PolarHBondContact N-O 3.08Å; L133-K140 PolarHBondContact O-N 3.16Å; Y138-K140 HydrophobicContact CD1-CB 4.4Å; Y138-K140 HydrophobicContact CE1-CB 4.12Å; K140-F175 HydrophobicContact CD-CE2 4Å; K140-F175 HydrophobicContact CD-CZ 3.97Å
141R62.8Low52Low66 Ų6674.8 Ų74.825%0.24936%0.363CS..EExtended strand (participates in β ladder)trans-71.1131165.2-172176.6179166.30.4108.2E69 C130 Y132E69-R141 IonicContact OE2-CZ 3.65Å; E69-R141 IonicContact OE2-NH1 3.08Å; E69-R141 PolarHBondContact OE2-NH1 3.06Å; E69-R141 VanDerWaalsContact OE2-NH1 3.08Å; E69-R141 IonicContact OE2-NH2 3.85Å; E69-R141 PolarHBondContact OE2-NH2 3.11Å; C130-R141 PolarHBondContact SG-NH2 2.92Å; Y132-R141 HydrophobicContact CD1-CB 4.11Å; Y132-R141 HydrophobicContact CE1-CB 3.75Å; Y132-R141 HydrophobicContact CE1-CG 3.93Å
142L55.1Low50.5Low27 Ų2773.9 Ų73.914%0.14136%0.358CS..EExtended strand (participates in β ladder)trans-94.4113.6173.1-66.2178.3000109.2I131 L133 L144I131-L142 HydrophobicContact CB-CD1 4.47Å; I131-L142 HydrophobicContact CG2-CD1 4Å; I131-L142 PolarHBondContact O-N 3.49Å; L133-L142 HydrophobicContact CD1-CD1 3.84Å; L133-L142 HydrophobicContact CD1-CD2 3.93Å; L133-L142 HydrophobicContact CD1-CG 4.1Å; L133-L142 HydrophobicContact CD2-CD1 4.5Å; L133-L142 HydrophobicContact CG-CD1 3.88Å; L133-L142 HydrophobicContact CG-CG 4.18Å; L142-L144 HydrophobicContact CB-CD1 3.75Å; L142-L144 HydrophobicContact CB-CG 3.98Å; L142-L144 HydrophobicContact CD1-CD1 4.16Å; L142-L144 PolarHBondContact O-N 3.23Å
143N48.7Very low49.1Very low88 Ų8875.2 Ų75.247%0.47137%0.367SS..  trans-78.589.6173.1-71-1.8000108.7E73E73-N143 PolarHBondContact OE2-ND2 3.18Å
144L44.9Very low47.4Very low18 Ų1877.3 Ų77.39%0.09437%0.374CS..  trans-103.5103.6-174.9-76.9160.9000110.2I131 L142 K148 L149 I152I131-L144 HydrophobicContact CB-CD1 4.2Å; I131-L144 HydrophobicContact CD1-CD1 3.78Å; I131-L144 HydrophobicContact CG1-CD1 4.37Å; L142-L144 HydrophobicContact CB-CD1 3.75Å; L142-L144 HydrophobicContact CB-CG 3.98Å; L142-L144 HydrophobicContact CD1-CD1 4.16Å; L142-L144 PolarHBondContact O-N 3.23Å; L144-K148 HydrophobicContact CD2-CB 4.37Å; L144-L149 HydrophobicContact CB-CD1 4.5Å; L144-L149 HydrophobicContact CB-CG 4.31Å; L144-L149 HydrophobicContact CD1-CD1 4.46Å; L144-L149 HydrophobicContact CD1-CD2 3.91Å; L144-L149 HydrophobicContact CD1-CG 3.95Å; L144-L149 HydrophobicContact CD2-CB 4.44Å; L144-L149 HydrophobicContact CD2-CD2 4.24Å; L144-L149 HydrophobicContact CD2-CG 3.77Å; L144-L149 HydrophobicContact CG-CG 4.22Å; L144-I152 HydrophobicContact CD2-CD1 3.42Å; L144-I152 VanDerWaalsContact CD2-CD1 3.42Å; L144-I152 HydrophobicContact CG-CD1 4.48Å
145N40.5Very low45.5Very low106 Ų10677.9 Ų77.957%0.56738%0.382SS*.  trans-71.4135.9155.6-65.7-13000107.2P147 K148N145-P147 WeakPolarHBondContact O-CD 3.44Å; N145-K148 WeakPolarHBondContact O-CB 3.49Å; N145-K148 PolarHBondContact O-N 3.3Å
146L34.3Very low43.7Very low80 Ų8078 Ų7842%0.41939%0.385SS..Hα-helixtrans-40.4-39.1-176.1-102.373.8000115.2P127 K148P127-L146 HydrophobicContact CB-CD1 4.37Å; L146-K148 PolarHBondContact O-N 3.2Å
147P31Very low41.9Very low99 Ų9972.7 Ų72.764%0.64336%0.361SS*.Hα-helixtrans-67.5-25.3176.8-21.133.4000115.4N145N145-P147 WeakPolarHBondContact O-CD 3.44Å
148K30.6Very low40.5Very low92 Ų9264.8 Ų64.840%0.434%0.34SS..Hα-helixtrans-80.2-21.3-176.4-66.6-178.2178.3178.70113.1L144 N145 L146 V150 T151 I152L144-K148 HydrophobicContact CD2-CB 4.37Å; N145-K148 WeakPolarHBondContact O-CB 3.49Å; N145-K148 PolarHBondContact O-N 3.3Å; L146-K148 PolarHBondContact O-N 3.2Å; K148-V150 VanDerWaalsContact C-N 3.31Å; K148-V150 PolarHBondContact O-N 3.43Å; K148-T151 PolarHBondContact O-N 2.96Å; K148-T151 VanDerWaalsContact O-N 3.16Å; K148-I152 PolarHBondContact O-N 3.2Å
149L32.5Very low38.8Very low60 Ų6062.7 Ų62.731%0.31433%0.334SS..Hα-helixtrans-61.3-38.2175.7-101.2162.9000112.3I131 L144 T151I131-L149 HydrophobicContact CD1-CD2 4.26Å; L144-L149 HydrophobicContact CB-CD1 4.5Å; L144-L149 HydrophobicContact CB-CG 4.31Å; L144-L149 HydrophobicContact CD1-CD1 4.46Å; L144-L149 HydrophobicContact CD1-CD2 3.91Å; L144-L149 HydrophobicContact CD1-CG 3.95Å; L144-L149 HydrophobicContact CD2-CB 4.44Å; L144-L149 HydrophobicContact CD2-CD2 4.24Å; L144-L149 HydrophobicContact CD2-CG 3.77Å; L144-L149 HydrophobicContact CG-CG 4.22Å; L149-T151 VanDerWaalsContact C-N 3.27Å; L149-T151 PolarHBondContact O-N 3.25Å
150V31.7Very low37.3Very low42 Ų4266 Ų6626%0.25535%0.346SS..Hα-helixtrans-64.4-33.1176.4171.80000111.7K148 K154 V194K148-V150 VanDerWaalsContact C-N 3.31Å; K148-V150 PolarHBondContact O-N 3.43Å; V150-K154 PolarHBondContact O-N 3.26Å; V150-V194 HydrophobicContact CG1-CB 3.76Å; V150-V194 HydrophobicContact CG1-CG1 3.92Å; V150-V194 HydrophobicContact CG1-CG2 4.41Å
151T27.2Very low35.6Very low59 Ų5967.2 Ų67.236%0.36235%0.353SS..Hα-helixtrans-77.2-35.8-177.6-52.80000112.5K148 L149 V153 K154 A155K148-T151 PolarHBondContact O-N 2.96Å; K148-T151 VanDerWaalsContact O-N 3.16Å; L149-T151 VanDerWaalsContact C-N 3.27Å; L149-T151 PolarHBondContact O-N 3.25Å; T151-V153 VanDerWaalsContact C-N 3.26Å; T151-V153 PolarHBondContact O-N 3.4Å; T151-K154 PolarHBondContact O-N 3.16Å; T151-A155 VanDerWaalsContact O-CB 3.26Å; T151-A155 WeakPolarHBondContact O-CB 3.33Å; T151-A155 PolarHBondContact O-N 3.39Å
152I30.6Very low34Very low26 Ų2666.6 Ų66.613%0.13337%0.367CS..Hα-helixtrans-59.4-39.1178.6-70.8176.7000111.6L144 K148 A155 L156 L182L144-I152 HydrophobicContact CD2-CD1 3.42Å; L144-I152 VanDerWaalsContact CD2-CD1 3.42Å; L144-I152 HydrophobicContact CG-CD1 4.48Å; K148-I152 PolarHBondContact O-N 3.2Å; I152-A155 PolarHBondContact O-N 2.82Å; I152-L156 HydrophobicContact CG2-CD1 4.07Å; I152-L156 WeakPolarHBondContact O-CB 3.49Å; I152-L156 VanDerWaalsContact O-CG 3.29Å; I152-L156 WeakPolarHBondContact O-CG 3.37Å; I152-L156 PolarHBondContact O-N 2.76Å; I152-L182 HydrophobicContact CG1-CD1 4.12Å
153V31.8Very low32.9Very low31 Ų3171.3 Ų71.319%0.18839%0.391CS..Hα-helixtrans-73.4-39.3-178.31730000110.7T151 S157 I197 W326T151-V153 VanDerWaalsContact C-N 3.26Å; T151-V153 PolarHBondContact O-N 3.4Å; V153-S157 PolarHBondContact O-N 3.22Å; V153-I197 HydrophobicContact CB-CD1 3.67Å; V153-I197 HydrophobicContact CG1-CD1 3.18Å; V153-I197 HydrophobicContact CG1-CG1 4.48Å; V153-I197 HydrophobicContact CG2-CD1 3.12Å; V153-I197 HydrophobicContact CG2-CG1 4.45Å; V153-W326 HydrophobicContact CG1-CH2 4.29Å
154K30.3Very low32.1Very low79 Ų7971.8 Ų71.834%0.34340%0.402SS..Hα-helixtrans-67.1-38.6172.8-71.9-176.6-178.4179.80111.5V150 T151 S157 T158 V194V150-K154 PolarHBondContact O-N 3.26Å; T151-K154 PolarHBondContact O-N 3.16Å; K154-S157 PolarHBondContact O-N 3.32Å; K154-S157 PolarHBondContact O-OG 2.8Å; K154-T158 PolarHBondContact O-N 3.5Å; K154-T158 PolarHBondContact O-OG1 3.41Å; K154-V194 HydrophobicContact CD-CG2 4.37Å; K154-V194 HydrophobicContact CG-CG2 4.41Å
155A28.4Very low31.3Very low32 Ų3279.3 Ų79.326%0.26443%0.434SS..Hα-helixtrans-66.1-40.3177.700000111.8T151 I152 S157 T158 F159T151-A155 VanDerWaalsContact O-CB 3.26Å; T151-A155 WeakPolarHBondContact O-CB 3.33Å; T151-A155 PolarHBondContact O-N 3.39Å; I152-A155 PolarHBondContact O-N 2.82Å; A155-S157 VanDerWaalsContact C-N 3.33Å; A155-S157 PolarHBondContact O-N 3.11Å; A155-T158 WeakPolarHBondContact CA-OG1 3.43Å; A155-T158 PolarHBondContact O-N 3.13Å; A155-T158 PolarHBondContact O-OG1 2.93Å; A155-F159 WeakPolarHBondContact O-CB 3.43Å; A155-F159 PolarHBondContact O-N 3.35Å
156L31.3Very low30.8Very low73 Ų7379.7 Ų79.738%0.38244%0.436SS..Hα-helixtrans-66-33.5174.4-73.1168.6000112.6I152 F178I152-L156 HydrophobicContact CG2-CD1 4.07Å; I152-L156 WeakPolarHBondContact O-CB 3.49Å; I152-L156 VanDerWaalsContact O-CG 3.29Å; I152-L156 WeakPolarHBondContact O-CG 3.37Å; I152-L156 PolarHBondContact O-N 2.76Å; L156-F178 HydrophobicContact CD2-CE2 4.43Å
157S30.3Very low30.8Very low50 Ų5081.3 Ų81.335%0.3545%0.451SS..Hα-helixtrans-77-32.5175.376.90000113.2V153 K154 A155V153-S157 PolarHBondContact O-N 3.22Å; K154-S157 PolarHBondContact O-N 3.32Å; K154-S157 PolarHBondContact O-OG 2.8Å; A155-S157 VanDerWaalsContact C-N 3.33Å; A155-S157 PolarHBondContact O-N 3.11Å
158T29.7Very low30.9Very low77 Ų7781.6 Ų81.647%0.47246%0.455SS..Hα-helixtrans-79.4-27.2174.926.60000113.6K154 A155 K160 Q161 G162K154-T158 PolarHBondContact O-N 3.5Å; K154-T158 PolarHBondContact O-OG1 3.41Å; A155-T158 WeakPolarHBondContact CA-OG1 3.43Å; A155-T158 PolarHBondContact O-N 3.13Å; A155-T158 PolarHBondContact O-OG1 2.93Å; T158-K160 PolarHBondContact O-N 2.67Å; T158-Q161 CarbonylContact O-C 3.59Å; T158-Q161 WeakPolarHBondContact O-CA 3.05Å; T158-Q161 PolarHBondContact O-N 2.93Å; T158-G162 PolarHBondContact O-N 3.42Å
159F28.3Very low31.2Very low101 Ų10181.4 Ų81.444%0.44346%0.462SS..Hα-helixtrans-59.2-30.8178.6-162-99.8000112.5A155A155-F159 WeakPolarHBondContact O-CB 3.43Å; A155-F159 PolarHBondContact O-N 3.35Å
160K36.1Very low31.1Very low118 Ų11885.3 Ų85.351%0.51348%0.482SS..Hα-helixtrans-75.5-28.1171.2-98.2-171.2174.8-177.80114.1T158T158-K160 PolarHBondContact O-N 2.67Å
161Q32.5Very low31Very low88 Ų8890.9 Ų90.941%0.41151%0.511SS..Hα-helixtrans-84.6-26.7179.5-64.6177.319.300112T158 Y354T158-Q161 CarbonylContact O-C 3.59Å; T158-Q161 WeakPolarHBondContact O-CA 3.05Å; T158-Q161 PolarHBondContact O-N 2.93Å; Q161-Y354 PolarHBondContact OE1-OH 2.86Å
162G28.7Very low31.1Very low52 Ų5295.4 Ų95.454%0.53653%0.525SS..Hα-helixtrans-79.5-15.9177.900000115.3T158 S164 K165T158-G162 PolarHBondContact O-N 3.42Å; G162-S164 PolarHBondContact O-N 3.4Å; G162-K165 PolarHBondContact O-N 2.93Å
163L31.4Very low31.1Very low126 Ų12697 Ų9766%0.6654%0.539SS*.THydrogen-bonded Turntrans-64.2-4.9172.9-105.5145.2000113.7
164S32.8Very low31.1Very low98 Ų9898 Ų9869%0.68555%0.547SS*.THydrogen-bonded Turntrans-102.4-4.9-177.8-176.10000115.4G162G162-S164 PolarHBondContact O-N 3.4Å
165K28Very low31.2Very low176 Ų17698.7 Ų98.777%0.76555%0.55SS*.THydrogen-bonded Turntrans-132.2-2.7-165.8-74.5-169179.9-177.50120.1G162G162-K165 PolarHBondContact O-N 2.93Å
166N30.3Very low31.2Very low114 Ų114101.9 Ų101.961%0.6156%0.562SS**  trans-148.6116.4172.6-83.5-47000113.4S168 T169N166-S168 VanDerWaalsContact C-N 3.27Å; N166-S168 PolarHBondContact O-N 2.94Å; N166-T169 PolarHBondContact O-OG1 3.3Å
167P33.8Very low31Very low114 Ų114100.1 Ų100.174%0.7455%0.554SS**G310 helixtrans-78.90.9178.229.5-32.2000114.7
168S33.3Very low31.1Very low105 Ų105100.6 Ų100.673%0.73455%0.55SS**G310 helixtrans-88.8-9.4-178.753.50000114.9N166 L170N166-S168 VanDerWaalsContact C-N 3.27Å; N166-S168 PolarHBondContact O-N 2.94Å; S168-L170 VanDerWaalsContact C-N 3.32Å
169T35.4Very low31Very low89 Ų8998.2 Ų98.255%0.54654%0.538SS..G310 helixtrans-87.31.3175.550.70000113.6N166 N171N166-T169 PolarHBondContact O-OG1 3.3Å; T169-N171 PolarHBondContact O-N 3.37Å; T169-N171 VanDerWaalsContact O-N 3.13Å
170L30.8Very low31Very low141 Ų14195.8 Ų95.874%0.73853%0.534SS*.THydrogen-bonded Turntrans-64.1-17.9-173.5-125.286.6000115S168S168-L170 VanDerWaalsContact C-N 3.32Å
171N29.8Very low30.6Very low159 Ų15994.9 Ų94.985%0.8554%0.535SS*.THydrogen-bonded Turntrans-110.415.8-169.4-83.9-11.2000115.4T169T169-N171 PolarHBondContact O-N 3.37Å; T169-N171 VanDerWaalsContact O-N 3.13Å
172K30Very low30.6Very low154 Ų15493.8 Ų93.867%0.6753%0.531SS*.SBendtrans-120.5138.7172.1-67.7-176.6-179.3-179.30109.4V177K172-V177 HydrophobicContact CB-CG2 4.1Å
173S29.3Very low30.7Very low59 Ų5998.6 Ų98.641%0.41354%0.54SS..  trans-54.8142178.378.50000109.5F175 N176S173-F175 PolarHBondContact O-N 2.92Å; S173-N176 PolarHBondContact O-N 3.33Å
174P31.8Very low30.6Very low54 Ų5499.3 Ų99.335%0.35154%0.539SS..Hα-helixtrans-52.8-24.5-178.4-20.924.7000113.2E55 F178E55-P174 WeakPolarHBondContact OE1-CG 3.37Å; P174-F178 VanDerWaalsContact O-CB 3.32Å; P174-F178 WeakPolarHBondContact O-CB 3.42Å; P174-F178 PolarHBondContact O-N 2.83Å
175F33Very low30.4Very low93 Ų9397.7 Ų97.741%0.40853%0.532SS..Hα-helixtrans-71.9-40.2177.8-168-98.3000113.9K140 S173 V177 F178 A179K140-F175 HydrophobicContact CD-CE2 4Å; K140-F175 HydrophobicContact CD-CZ 3.97Å; S173-F175 PolarHBondContact O-N 2.92Å; F175-V177 VanDerWaalsContact C-N 3.28Å; F175-V177 PolarHBondContact O-N 2.84Å; F175-F178 PolarHBondContact O-N 3.37Å; F175-A179 WeakPolarHBondContact O-CB 3.04Å; F175-A179 PolarHBondContact O-N 3.38Å
176N28.2Very low30.3Very low98 Ų9895.7 Ų95.752%0.52454%0.535SS..Hα-helixtrans-71.6-25-177.4-74.9-6.7000112.4S173 S180S173-N176 PolarHBondContact O-N 3.33Å; N176-S180 WeakPolarHBondContact O-CB 3.37Å; N176-S180 PolarHBondContact O-N 2.87Å
177V28.3Very low30.1Very low36 Ų3698 Ų9822%0.21855%0.546CS..Hα-helixtrans-86.1-35.3175.5-178.50000111.3K172 F175 N181K172-V177 HydrophobicContact CB-CG2 4.1Å; F175-V177 VanDerWaalsContact C-N 3.28Å; F175-V177 PolarHBondContact O-N 2.84Å; V177-N181 VanDerWaalsContact CG1-ND2 3.31Å; V177-N181 WeakPolarHBondContact CG1-ND2 3.47Å; V177-N181 VanDerWaalsContact O-CB 3.24Å; V177-N181 WeakPolarHBondContact O-CB 3.43Å; V177-N181 PolarHBondContact O-N 2.97Å; V177-N181 VanDerWaalsContact O-N 3.11Å; V177-N181 PolarHBondContact O-ND2 3.35Å; V177-N181 VanDerWaalsContact O-ND2 3.14Å
178F31.6Very low29.7Very low61 Ų6197.9 Ų97.927%0.26855%0.545SS..Hα-helixtrans-69.2-37.3176.1-176.5-101.1000113.1L156 P174 F175L156-F178 HydrophobicContact CD2-CE2 4.43Å; P174-F178 VanDerWaalsContact O-CB 3.32Å; P174-F178 WeakPolarHBondContact O-CB 3.42Å; P174-F178 PolarHBondContact O-N 2.83Å; F175-F178 PolarHBondContact O-N 3.37Å
179A27.4Very low29.2Very low27 Ų2799.7 Ų99.722%0.22355%0.552CS.*Hα-helixtrans-75.2-46176.200000112.4F175 N181 L182F175-A179 WeakPolarHBondContact O-CB 3.04Å; F175-A179 PolarHBondContact O-N 3.38Å; A179-N181 PolarHBondContact O-N 2.94Å; A179-L182 WeakPolarHBondContact O-CB 3.38Å; A179-L182 PolarHBondContact O-N 2.81Å; A179-L182 VanDerWaalsContact O-N 3.15Å
180S27.9Very low28.7Very low50 Ų50104.2 Ų104.235%0.3556%0.564SS.*Hα-helixtrans-68.4-33.9-178.6177.60000113.5N176 L182 E183 H184N176-S180 WeakPolarHBondContact O-CB 3.37Å; N176-S180 PolarHBondContact O-N 2.87Å; S180-L182 PolarHBondContact O-N 3.44Å; S180-E183 PolarHBondContact O-N 3.42Å; S180-H184 PolarHBondContact O-CD2 3.26Å; S180-H184 VanDerWaalsContact O-CD2 3.3Å; S180-H184 PolarHBondContact O-N 2.93Å
181N28.8Very low28.4Very low99 Ų99107.1 Ų107.153%0.52957%0.574SS.*Hα-helixtrans-75.3-13.4174.6-69.2-21.7000113.3V177 A179 E183 A185V177-N181 VanDerWaalsContact CG1-ND2 3.31Å; V177-N181 WeakPolarHBondContact CG1-ND2 3.47Å; V177-N181 VanDerWaalsContact O-CB 3.24Å; V177-N181 WeakPolarHBondContact O-CB 3.43Å; V177-N181 PolarHBondContact O-N 2.97Å; V177-N181 VanDerWaalsContact O-N 3.11Å; V177-N181 PolarHBondContact O-ND2 3.35Å; V177-N181 VanDerWaalsContact O-ND2 3.14Å; A179-N181 PolarHBondContact O-N 2.94Å; N181-E183 VanDerWaalsContact C-N 3.32Å; N181-A185 WeakPolarHBondContact O-CB 3.37Å; N181-A185 PolarHBondContact O-N 2.83Å
182L32.9Very low28.1Very low64 Ų64107.2 Ų107.234%0.33557%0.569SS.*Hα-helixtrans-75-26173.8-143.892000111.7I152 A179 S180I152-L182 HydrophobicContact CG1-CD1 4.12Å; A179-L182 WeakPolarHBondContact O-CB 3.38Å; A179-L182 PolarHBondContact O-N 2.81Å; A179-L182 VanDerWaalsContact O-N 3.15Å; S180-L182 PolarHBondContact O-N 3.44Å
183E29Very low27.9Very low154 Ų154108.4 Ų108.472%0.7257%0.574SS**Hα-helixtrans-89.3-28.8-178.9-71.6167.6-173.300112.4S180 N181S180-E183 PolarHBondContact O-N 3.42Å; N181-E183 VanDerWaalsContact C-N 3.32Å
184H29.6Very low27.7Very low141 Ų141107.7 Ų107.765%0.65357%0.567SS**SBendtrans-1087.7-174.4-64.6-61.8000115.7S180 T186S180-H184 PolarHBondContact O-CD2 3.26Å; S180-H184 VanDerWaalsContact O-CD2 3.3Å; S180-H184 PolarHBondContact O-N 2.93Å; H184-T186 PolarHBondContact O-N 3.38Å
185A28.3Very low27.3Very low63 Ų63109.5 Ų109.552%0.52157%0.572SS.*  trans-72100.1-178.200000112.3N181N181-A185 WeakPolarHBondContact O-CB 3.37Å; N181-A185 PolarHBondContact O-N 2.83Å
186T25.9Very low27.1Very low135 Ų135106.1 Ų106.183%0.82856%0.564SS**PPolyproline II helixtrans-69135.6168.5-2.50000110.9H184 P188H184-T186 PolarHBondContact O-N 3.38Å; T186-P188 WeakPolarHBondContact O-CD 3.49Å
187L27.2Very low27.1Very low163 Ų163103.9 Ų103.985%0.85355%0.551SS**PPolyproline II helixtrans-58.7124.5-179-67.6161.7000111.5
188P24.2Very low27.1Very low110 Ų110107.1 Ų107.171%0.71456%0.564SS**PPolyproline II helixtrans-80.7123165.328.7-28.3000110.2T186 K190T186-P188 WeakPolarHBondContact O-CD 3.49Å; P188-K190 VanDerWaalsContact C-N 3.32Å; P188-K190 PolarHBondContact O-N 2.9Å
189T24Very low26.8Very low143 Ų143107.6 Ų107.688%0.87757%0.568SS**SBendtrans-6186.2164.9220000110.1
190K23.7Very low26.8Very low184 Ų184107.6 Ų107.680%0.856%0.564SS**  trans-178.4105.7155.1-100.9161.7-168.5-175.90108.2P188 Q192P188-K190 VanDerWaalsContact C-N 3.32Å; P188-K190 PolarHBondContact O-N 2.9Å; K190-Q192 VanDerWaalsContact C-N 3.28Å; K190-Q192 PolarHBondContact O-N 3.08Å
191E26.6Very low26.8Very low203 Ų203109 Ų10995%0.94957%0.565SS**  trans-65.380.4176.9-65.9174.6157.700111.2
192Q22.8Very low26.5Very low160 Ų160109.2 Ų109.275%0.74857%0.569SS**  trans-89.1107.9160.8-74.8-172.3-17.100108.6K190 V194K190-Q192 VanDerWaalsContact C-N 3.28Å; K190-Q192 PolarHBondContact O-N 3.08Å; Q192-V194 WeakPolarHBondContact O-CG2 3.35Å; Q192-V194 PolarHBondContact O-N 3.43Å; Q192-V194 VanDerWaalsContact O-N 3.11Å
193K25.7Very low26.1Very low179 Ų179108.4 Ų108.478%0.77858%0.576SS**  trans-32.8106.1172.2-104.9170.1173.7170.30112.6M195K193-M195 HydrophobicContact CG-CG 4.29Å
194V25.5Very low25.8Very low44 Ų44107.9 Ų107.927%0.26758%0.583SS.*  trans-110.746.7165.5-175.90000109.4V150 K154 Q192 G196V150-V194 HydrophobicContact CG1-CB 3.76Å; V150-V194 HydrophobicContact CG1-CG1 3.92Å; V150-V194 HydrophobicContact CG1-CG2 4.41Å; K154-V194 HydrophobicContact CD-CG2 4.37Å; K154-V194 HydrophobicContact CG-CG2 4.41Å; Q192-V194 WeakPolarHBondContact O-CG2 3.35Å; Q192-V194 PolarHBondContact O-N 3.43Å; Q192-V194 VanDerWaalsContact O-N 3.11Å; V194-G196 PolarHBondContact O-N 3.22Å
195M23.7Very low25.6Very low93 Ų93107 Ų10746%0.45858%0.575SS.*THydrogen-bonded Turntrans-74.16.2168.4-68.8-71.4-66.600112.6K193K193-M195 HydrophobicContact CG-CG 4.29Å
196G27Very low25.4Very low22 Ų22111.7 Ų111.723%0.22759%0.586CS.*THydrogen-bonded Turntrans-83.6-18.8-165.200000115.5V194 W326V194-G196 PolarHBondContact O-N 3.22Å; G196-W326 PolarHBondContact O-NE1 3.29Å
197I29.3Very low25.3Very low50 Ų50114.3 Ų114.326%0.25659%0.586SS.*SBendtrans-109-18.3-178.1-69174.4000112.1V153 I199 W326V153-I197 HydrophobicContact CB-CD1 3.67Å; V153-I197 HydrophobicContact CG1-CD1 3.18Å; V153-I197 HydrophobicContact CG1-CG1 4.48Å; V153-I197 HydrophobicContact CG2-CD1 3.12Å; V153-I197 HydrophobicContact CG2-CG1 4.45Å; I197-I199 PolarHBondContact O-N 3.24Å; I197-W326 HydrophobicContact CD1-CH2 3.34Å; I197-W326 HydrophobicContact CD1-CZ2 3.71Å; I197-W326 HydrophobicContact CD1-CZ3 3.94Å; I197-W326 HydrophobicContact CG1-CH2 3.46Å; I197-W326 VanDerWaalsContact CG1-CH2 3.46Å; I197-W326 HydrophobicContact CG1-CZ2 3.23Å; I197-W326 HydrophobicContact CG1-CZ3 4.17Å
198E27.3Very low25.2Very low105 Ų105115.5 Ų115.549%0.49159%0.585SS.*SBendtrans-66.93.2175.7-91.6-176.8153.800114.7
199I26.9Very low25.2Very low70 Ų70117 Ų11736%0.35959%0.587SS.*  trans-135.578.7173.6-48.2177.8000109.6I197I197-I199 PolarHBondContact O-N 3.24Å
200I27.1Very low25.6Very low27 Ų27119 Ų11914%0.13859%0.586CS.*SBendtrans-122.576.2150.8-55.3-179.2000106.4W48 A329W48-I200 HydrophobicContact CZ2-CD1 4.44Å; I200-A329 HydrophobicContact CD1-CB 4.35Å
201F27.1Very low25.8Very low81 Ų81118.8 Ų118.836%0.35559%0.588SS.*  trans52.376.4161.1-68.5-86.8000116.4T292 W304 N340F201-T292 HydrophobicContact CZ-CG2 4.11Å; F201-W304 HydrophobicContact CE2-CH2 4.29Å; F201-N340 WeakPolarHBondContact CB-ND2 3.38Å; F201-N340 HydrophobicContact CD2-CB 4.33Å
202T23.1Very low25.8Very low103 Ų103113.8 Ų113.863%0.63258%0.575SS**  trans-59.1134.2150.342.10000109.3
203G25.2Very low26.2Very low46 Ų46113.4 Ų113.447%0.47458%0.577SS.*  trans-52158.417500000112.7Y205G203-Y205 VanDerWaalsContact O-CD2 3.25Å; G203-Y205 WeakPolarHBondContact O-CD2 3.15Å; G203-Y205 PolarHBondContact O-N 2.99Å
204V22.5Very low26.3Very low144 Ų144112 Ų11287%0.87358%0.578SS**  trans-59.5104.2177.2-1790000108.9
205Y25.6Very low26.4Very low122 Ų122118.4 Ų118.448%0.47860%0.604SS.*  trans-113.3121167.6-72-75000108.4F129 G203F129-Y205 HydrophobicContact CZ-CE2 4.22Å; G203-Y205 VanDerWaalsContact O-CD2 3.25Å; G203-Y205 WeakPolarHBondContact O-CD2 3.15Å; G203-Y205 PolarHBondContact O-N 2.99Å
206E23.2Very low26.6Very low161 Ų161117.8 Ų117.875%0.75260%0.602SS**PPolyproline II helixtrans-82.1140.4172.1-165.6174-168.300109.6F208E206-F208 PolarHBondContact O-N 3.11Å
207K24.2Very low26.6Very low190 Ų190125.6 Ų125.683%0.82663%0.632SS**PPolyproline II helixtrans-74.9117-177.8-163.3-179.9-174.3-177.50109.7
208F23.9Very low26.4Very low188 Ų188129.1 Ų129.183%0.82566%0.656SS**PPolyproline II helixtrans-84.6125.1171.1-76.8-85.1000110.5E206E206-F208 PolarHBondContact O-N 3.11Å
209N24.1Very low26.3Very low142 Ų142127.2 Ų127.276%0.75966%0.655SS**PPolyproline II helixtrans-86138.2166.5-87.7-9000109.8H211N209-H211 PolarHBondContact O-N 3.02Å
210E32.9Very low26.3Very low186 Ų186127.9 Ų127.987%0.86966%0.658SS**SBendtrans-66.713.6-167.1-77.9-176.8140.700118.5
211H28.3Very low26.1Very low179 Ų179134.6 Ų134.683%0.82969%0.686SS**SBendtrans-131.588.2177.2-86.1-64.7000111N209N209-H211 PolarHBondContact O-N 3.02Å
212S25.7Very low25.9Very low97 Ų97133.4 Ų133.468%0.67869%0.692SS**  trans167.459.9146.4-73.70000111.5N214S212-N214 PolarHBondContact O-N 3.16Å
213I32.1Very low25.9Very low153 Ų153132.3 Ų132.379%0.78569%0.685SS**THydrogen-bonded Turntrans-78.6106.6167.1-56173.2000105.9
214N27.8Very low25.8Very low149 Ų149138.3 Ų138.380%0.79770%0.698SS**THydrogen-bonded Turntrans154.5-1.9147.8-75.2-30.8000116.4S212S212-N214 PolarHBondContact O-N 3.16Å
215H27.1Very low26Very low179 Ų179136.7 Ų136.783%0.82968%0.684SS**SBendtrans-118.56.2-178.2-108.7-67.6000117.7
216I28.4Very low25.9Very low80 Ų80137 Ų13741%0.4169%0.693SS.*  trans-10914.2-168.6-33.8-176.8000113.7T218 I220I216-T218 PolarHBondContact O-N 3.15Å; I216-I220 HydrophobicContact CB-CD1 4.3Å; I216-I220 HydrophobicContact CB-CG1 4.35Å; I216-I220 HydrophobicContact CG2-CD1 4.26Å; I216-I220 HydrophobicContact CG2-CG1 3.76Å; I216-I220 WeakPolarHBondContact O-CB 3.15Å; I216-I220 WeakPolarHBondContact O-CD1 2.81Å; I216-I220 WeakPolarHBondContact O-CG1 3.49Å; I216-I220 PolarHBondContact O-N 3.02Å
217Q26.7Very low25.9Very low185 Ų185134.9 Ų134.986%0.86469%0.687SS**THydrogen-bonded Turntrans-69.3-17.1177.2-136.3173.8-2.500113
218T25.2Very low26.1Very low124 Ų124131.4 Ų131.476%0.76167%0.67SS**THydrogen-bonded Turntrans-103.1-28.2179.5-350000113.4I216I216-T218 PolarHBondContact O-N 3.15Å
219S24.6Very low26.1Very low66 Ų66128 Ų12846%0.46266%0.659SS.*THydrogen-bonded Turntrans-82-23.8176.1-76.70000113.6K221 A222 T223S219-K221 VanDerWaalsContact C-N 3.26Å; S219-K221 PolarHBondContact O-N 2.85Å; S219-A222 PolarHBondContact O-N 2.97Å; S219-T223 PolarHBondContact O-N 3.39Å; S219-T223 PolarHBondContact O-OG1 3.34Å; S219-T223 VanDerWaalsContact O-OG1 3.08Å
220I26.7Very low26.3Very low83 Ų83126.5 Ų126.543%0.42665%0.646SS.*Hα-helixtrans-58.9-37.7176.1-73.6163.5000111.1I216 A222 F224I216-I220 HydrophobicContact CB-CD1 4.3Å; I216-I220 HydrophobicContact CB-CG1 4.35Å; I216-I220 HydrophobicContact CG2-CD1 4.26Å; I216-I220 HydrophobicContact CG2-CG1 3.76Å; I216-I220 WeakPolarHBondContact O-CB 3.15Å; I216-I220 WeakPolarHBondContact O-CD1 2.81Å; I216-I220 WeakPolarHBondContact O-CG1 3.49Å; I216-I220 PolarHBondContact O-N 3.02Å; I220-A222 VanDerWaalsContact C-N 3.31Å; I220-A222 PolarHBondContact O-N 3.4Å; I220-F224 HydrophobicContact CG2-CD2 3.88Å; I220-F224 HydrophobicContact CG2-CE2 4.26Å; I220-F224 VanDerWaalsContact O-CB 3.27Å; I220-F224 WeakPolarHBondContact O-CB 3.32Å; I220-F224 PolarHBondContact O-N 2.86Å
221K23.6Very low25.8Very low168 Ų168122.6 Ų122.673%0.7364%0.638SS**Hα-helixtrans-68.1-25.7176-84.9-179177.3174.30113.9S219 I225S219-K221 VanDerWaalsContact C-N 3.26Å; S219-K221 PolarHBondContact O-N 2.85Å; K221-I225 WeakPolarHBondContact O-CD1 3.37Å; K221-I225 WeakPolarHBondContact O-CG1 3.39Å
222A22.3Very low25.7Very low56 Ų56122.7 Ų122.746%0.46364%0.636SS.*Hα-helixtrans-87-33.8-179.700000112.2S219 I220S219-A222 PolarHBondContact O-N 2.97Å; I220-A222 VanDerWaalsContact C-N 3.31Å; I220-A222 PolarHBondContact O-N 3.4Å
223T24.4Very low25.8Very low80 Ų80122.3 Ų122.349%0.49163%0.625SS.*Hα-helixtrans-83.2-30.3178.6-34.90000112.6S219 I225 N226 N227S219-T223 PolarHBondContact O-N 3.39Å; S219-T223 PolarHBondContact O-OG1 3.34Å; S219-T223 VanDerWaalsContact O-OG1 3.08Å; T223-I225 PolarHBondContact O-N 3.39Å; T223-I225 VanDerWaalsContact O-N 3.09Å; T223-N226 PolarHBondContact O-N 3.33Å; T223-N226 VanDerWaalsContact O-N 3.08Å; T223-N227 PolarHBondContact O-N 2.91Å
224F23.1Very low25.6Very low172 Ų172120 Ų12075%0.75462%0.621SS**THydrogen-bonded Turntrans-57-22.6169.1-116.9-99000113.2I220I220-F224 HydrophobicContact CG2-CD2 3.88Å; I220-F224 HydrophobicContact CG2-CE2 4.26Å; I220-F224 VanDerWaalsContact O-CB 3.27Å; I220-F224 WeakPolarHBondContact O-CB 3.32Å; I220-F224 PolarHBondContact O-N 2.86Å
225I25.9Very low25.8Very low111 Ų111117.9 Ų117.957%0.56961%0.609SS**THydrogen-bonded Turntrans-92.6-15.8-177.9-65173.6000111.9K221 T223 Y228K221-I225 WeakPolarHBondContact O-CD1 3.37Å; K221-I225 WeakPolarHBondContact O-CG1 3.39Å; T223-I225 PolarHBondContact O-N 3.39Å; T223-I225 VanDerWaalsContact O-N 3.09Å; I225-Y228 WeakPolarHBondContact O-CD2 3.47Å
226N22.6Very low26Very low128 Ų128114 Ų11468%0.68460%0.6SS**THydrogen-bonded Turntrans-114.6-16.5-168.2-81.6-22.5000116.6T223 Y228T223-N226 PolarHBondContact O-N 3.33Å; T223-N226 VanDerWaalsContact O-N 3.08Å; N226-Y228 PolarHBondContact O-N 2.84Å
227N24Very low26.2Very low116 Ų116120.1 Ų120.162%0.6263%0.627SS**  trans-86.249.3168.9-83.9-22.6000112.2T223 I229T223-N227 PolarHBondContact O-N 2.91Å; N227-I229 PolarHBondContact O-N 2.88Å
228Y28Very low26.5Very low117 Ų117114.8 Ų114.846%0.45961%0.61SS.*  trans-73.772.3159.2-89.5-91.5000109.4I225 N226 K336I225-Y228 WeakPolarHBondContact O-CD2 3.47Å; N226-Y228 PolarHBondContact O-N 2.84Å; Y228-K336 HydrophobicContact CE1-CD 3.81Å; Y228-K336 VanDerWaalsContact CE1-CE 3.46Å; Y228-K336 HydrophobicContact CE1-CG 4.33Å; Y228-K336 PolarHBondContact OH-NZ 3.02Å
229I25.3Very low27Very low118 Ų118110.8 Ų110.861%0.60559%0.589SS**  trans-99.942.4163.5-45.5179.2000109.1N227N227-I229 PolarHBondContact O-N 2.88Å
230F27.2Very low27.2Very low110 Ų110115 Ų11548%0.48261%0.606SS.*SBend-112.2100.7126-105.8-93.1000104.3K232 L250F230-K232 PolarHBondContact O-N 3.34Å; F230-L250 HydrophobicContact CE1-CD2 4.49Å; F230-L250 HydrophobicContact CZ-CD2 4Å
231C22.9Very low27.3Very low103 Ų103114.4 Ų114.470%0.69661%0.609SS**  trans-47136.4178.1-152.20000108.3I233C231-I233 VanDerWaalsContact C-N 3.33Å; C231-I233 WeakPolarHBondContact O-CG1 3.38Å; C231-I233 PolarHBondContact O-N 2.77Å
232K25.3Very low27.7Very low182 Ų182109.2 Ų109.279%0.79159%0.587SS**  trans-44103165-86.9173.1171.9171.70107.3F230 C234F230-K232 PolarHBondContact O-N 3.34Å; K232-C234 PolarHBondContact O-N 2.82Å
233I29.1Very low28.1Very low88 Ų88109.7 Ų109.745%0.45158%0.584SS.*  trans-7580.9173.8-56.3178.2000105.1C231 I235 F242 L246C231-I233 VanDerWaalsContact C-N 3.33Å; C231-I233 WeakPolarHBondContact O-CG1 3.38Å; C231-I233 PolarHBondContact O-N 2.77Å; I233-I235 PolarHBondContact O-N 3.12Å; I233-F242 HydrophobicContact CG2-CE2 4.34Å; I233-L246 HydrophobicContact CD1-CD1 4.23Å
234C28.3Very low28.3Very low104 Ų104111.7 Ų111.770%0.70359%0.591SS**  trans-63.7110.9163.4-84.40000106.3K232 P236K232-C234 PolarHBondContact O-N 2.82Å; C234-P236 WeakPolarHBondContact O-CD 3.29Å; C234-P236 WeakPolarHBondContact O-CG 3.41Å
235I32.1Very low28.6Very low106 Ų106108.5 Ų108.554%0.54458%0.578SS.*  trans-61.3113.9179.8-59160.5000109.5I233 Q315I233-I235 PolarHBondContact O-N 3.12Å; I235-Q315 HydrophobicContact CD1-CB 4.19Å; I235-Q315 HydrophobicContact CD1-CG 4.19Å; I235-Q315 HydrophobicContact CG2-CG 4.19Å
236P30Very low28.9Very low98 Ų98104.7 Ų104.764%0.63656%0.559SS**  trans-106.2161.1163.914.510.8000110.5C234 S238C234-P236 WeakPolarHBondContact O-CD 3.29Å; C234-P236 WeakPolarHBondContact O-CG 3.41Å; P236-S238 PolarHBondContact O-N 3.26Å
237Q33.6Very low29.3Very low207 Ų207100.6 Ų100.697%0.96754%0.538SS*.SBendtrans-8226.7-152.3-130.3173.8-7.900116.7
238S32.5Very low29.6Very low73 Ų73100.5 Ų100.551%0.5154%0.535SS..  trans-138.8131.8-175.463.30000116.1P236 S241P236-S238 PolarHBondContact O-N 3.26Å; S238-S241 PolarHBondContact OG-OG 2.84Å
239A35.5Very low29.9Very low40 Ų4099.6 Ų99.633%0.33154%0.535SS..Hα-helixtrans-88.6-27.4-159.600000116.6F314A239-F314 HydrophobicContact CB-CD2 4.19Å; A239-F314 HydrophobicContact CB-CE1 4.49Å; A239-F314 HydrophobicContact CB-CE2 3.25Å; A239-F314 HydrophobicContact CB-CZ 3.45Å; A239-F314 VanDerWaalsContact CB-CZ 3.45Å
240L28.5Very low30.3Very low154 Ų15497.2 Ų97.281%0.80652%0.522SS*.Hα-helixtrans-93.7-33.7-174.5-95.793.4000113.8F242L240-F242 VanDerWaalsContact C-N 3.27Å; L240-F242 PolarHBondContact O-N 3.4Å
241S28.5Very low30.5Very low71 Ų7196.4 Ų96.450%0.49752%0.523SS..Hα-helixtrans-68.7-28.1175.318.50000111.8S238 H245S238-S241 PolarHBondContact OG-OG 2.84Å; S241-H245 VanDerWaalsContact O-CB 3.24Å; S241-H245 WeakPolarHBondContact O-CB 3.42Å; S241-H245 PolarHBondContact O-N 2.83Å
242F33.3Very low31Very low59 Ų5994.8 Ų94.826%0.25951%0.51SS..Hα-helixtrans-66.6-43.3-177.8-176.4-106.1000113.7I233 L240 L244 H245 L246 F314I233-F242 HydrophobicContact CG2-CE2 4.34Å; L240-F242 VanDerWaalsContact C-N 3.27Å; L240-F242 PolarHBondContact O-N 3.4Å; F242-L244 PolarHBondContact O-N 2.74Å; F242-H245 PolarHBondContact O-N 2.73Å; F242-L246 HydrophobicContact CD2-CD1 4.43Å; F242-L246 HydrophobicContact CE1-CD1 4.23Å; F242-L246 HydrophobicContact CE2-CD1 3.67Å; F242-L246 HydrophobicContact CZ-CD1 3.57Å; F242-L246 WeakPolarHBondContact O-CB 3.42Å; F242-L246 PolarHBondContact O-N 3.34Å; F242-F314 HydrophobicContact CD1-CD1 4.37Å
243T30.2Very low31.3Very low67 Ų6789.3 Ų89.341%0.41149%0.489SS..Hα-helixtrans-67.6-38.6-175.8-36.40000112T247T243-T247 WeakPolarHBondContact O-CB 3.08Å; T243-T247 VanDerWaalsContact O-CG2 3.24Å; T243-T247 WeakPolarHBondContact O-CG2 3.43Å; T243-T247 PolarHBondContact O-N 2.95Å; T243-T247 PolarHBondContact O-OG1 3.16Å
244L28.4Very low31.4Very low121 Ų12188.2 Ų88.263%0.63448%0.484SS*.Hα-helixtrans-75.2-36.9176.2-84.8157.7000112.1F242 T247 Q248F242-L244 PolarHBondContact O-N 2.74Å; L244-T247 PolarHBondContact O-OG1 2.79Å; L244-Q248 WeakPolarHBondContact O-CB 2.99Å; L244-Q248 PolarHBondContact O-N 2.76Å
245H30.4Very low31.4Very low105 Ų10587.7 Ų87.749%0.48647%0.474SS..Hα-helixtrans-79.9-32.9-179.4-136.454000113.2S241 F242 Q249S241-H245 VanDerWaalsContact O-CB 3.24Å; S241-H245 WeakPolarHBondContact O-CB 3.42Å; S241-H245 PolarHBondContact O-N 2.83Å; F242-H245 PolarHBondContact O-N 2.73Å; H245-Q249 WeakPolarHBondContact O-CB 3.37Å; H245-Q249 WeakPolarHBondContact O-CG 3.42Å; H245-Q249 PolarHBondContact O-N 3.17Å
246L30.8Very low31.2Very low31 Ų3188.2 Ų88.216%0.16247%0.474CS..Hα-helixtrans-71.5-38.6175.6-160.9103.1000111.1I233 F242 L250 A319I233-L246 HydrophobicContact CD1-CD1 4.23Å; F242-L246 HydrophobicContact CD2-CD1 4.43Å; F242-L246 HydrophobicContact CE1-CD1 4.23Å; F242-L246 HydrophobicContact CE2-CD1 3.67Å; F242-L246 HydrophobicContact CZ-CD1 3.57Å; F242-L246 WeakPolarHBondContact O-CB 3.42Å; F242-L246 PolarHBondContact O-N 3.34Å; L246-L250 HydrophobicContact CD2-CD1 4.36Å; L246-L250 VanDerWaalsContact O-CB 3.28Å; L246-L250 WeakPolarHBondContact O-CB 3.41Å; L246-L250 WeakPolarHBondContact O-CD1 3.45Å; L246-L250 VanDerWaalsContact O-CG 3.26Å; L246-L250 WeakPolarHBondContact O-CG 3.45Å; L246-L250 PolarHBondContact O-N 2.97Å; L246-A319 HydrophobicContact CD2-CB 4.3Å
247T30.8Very low31.1Very low42 Ų4287.3 Ų87.326%0.25847%0.469SS..Hα-helixtrans-71.4-44.5172.853.10000111.2T243 L244 L250 L251T243-T247 WeakPolarHBondContact O-CB 3.08Å; T243-T247 VanDerWaalsContact O-CG2 3.24Å; T243-T247 WeakPolarHBondContact O-CG2 3.43Å; T243-T247 PolarHBondContact O-N 2.95Å; T243-T247 PolarHBondContact O-OG1 3.16Å; L244-T247 PolarHBondContact O-OG1 2.79Å; T247-L250 PolarHBondContact O-N 2.95Å; T247-L251 WeakPolarHBondContact O-CD1 3.27Å; T247-L251 PolarHBondContact O-N 2.72Å; T247-L251 VanDerWaalsContact O-N 3.08Å
248Q31.4Very low30.8Very low115 Ų11581.5 Ų81.554%0.53745%0.448SS..Hα-helixtrans-60.2-50.6171.9-91.2179.8-31.300111.8L244 L250 L251 T252L244-Q248 WeakPolarHBondContact O-CB 2.99Å; L244-Q248 PolarHBondContact O-N 2.76Å; Q248-L250 PolarHBondContact O-N 2.97Å; Q248-L251 CarbonylContact O-C 3.43Å; Q248-L251 WeakPolarHBondContact O-CA 3.32Å; Q248-L251 WeakPolarHBondContact O-CB 3.23Å; Q248-L251 PolarHBondContact O-N 3.23Å; Q248-T252 PolarHBondContact O-N 3.2Å; Q248-T252 PolarHBondContact O-OG1 2.89Å
249Q33.8Very low30.4Very low98 Ų9881.7 Ų81.746%0.45845%0.449SS..Hα-helixtrans-65.7-33.1-179.3-81.2178.3-36.300113.4H245 L251 T252 N253H245-Q249 WeakPolarHBondContact O-CB 3.37Å; H245-Q249 WeakPolarHBondContact O-CG 3.42Å; H245-Q249 PolarHBondContact O-N 3.17Å; Q249-L251 VanDerWaalsContact C-N 3.31Å; Q249-T252 PolarHBondContact O-N 3.13Å; Q249-N253 VanDerWaalsContact O-CB 3.26Å; Q249-N253 WeakPolarHBondContact O-CB 3.17Å; Q249-N253 PolarHBondContact O-N 3.08Å; Q249-N253 PolarHBondContact O-ND2 3.12Å
250L33.9Very low29.9Very low67 Ų6785 Ų8535%0.35147%0.465SS..Hα-helixtrans-61.4-43.2169-82.4163.8000110.4F230 L246 T247 Q248 L254F230-L250 HydrophobicContact CE1-CD2 4.49Å; F230-L250 HydrophobicContact CZ-CD2 4Å; L246-L250 HydrophobicContact CD2-CD1 4.36Å; L246-L250 VanDerWaalsContact O-CB 3.28Å; L246-L250 WeakPolarHBondContact O-CB 3.41Å; L246-L250 WeakPolarHBondContact O-CD1 3.45Å; L246-L250 VanDerWaalsContact O-CG 3.26Å; L246-L250 WeakPolarHBondContact O-CG 3.45Å; L246-L250 PolarHBondContact O-N 2.97Å; T247-L250 PolarHBondContact O-N 2.95Å; Q248-L250 PolarHBondContact O-N 2.97Å; L250-L254 WeakPolarHBondContact O-CB 3.32Å; L250-L254 VanDerWaalsContact O-CD1 3.25Å; L250-L254 WeakPolarHBondContact O-CD1 3.32Å; L250-L254 WeakPolarHBondContact O-CG 3.36Å; L250-L254 PolarHBondContact O-N 3.4Å
251L32.2Very low29.8Very low94 Ų9483.1 Ų83.149%0.49246%0.46SS..Hα-helixtrans-70.9-36175.1-85.1106.7000114T247 Q248 Q249 N255T247-L251 WeakPolarHBondContact O-CD1 3.27Å; T247-L251 PolarHBondContact O-N 2.72Å; T247-L251 VanDerWaalsContact O-N 3.08Å; Q248-L251 CarbonylContact O-C 3.43Å; Q248-L251 WeakPolarHBondContact O-CA 3.32Å; Q248-L251 WeakPolarHBondContact O-CB 3.23Å; Q248-L251 PolarHBondContact O-N 3.23Å; Q249-L251 VanDerWaalsContact C-N 3.31Å; L251-N255 VanDerWaalsContact O-CG 3.28Å; L251-N255 PolarHBondContact O-N 3.01Å; L251-N255 VanDerWaalsContact O-N 3.11Å; L251-N255 PolarHBondContact O-ND2 2.96Å
252T31.6Very low29.7Very low68 Ų6883 Ų8342%0.41747%0.47SS..Hα-helixtrans-77.8-38.2-178.1-32.40000112.2Q248 Q249 L254 N255 E256Q248-T252 PolarHBondContact O-N 3.2Å; Q248-T252 PolarHBondContact O-OG1 2.89Å; Q249-T252 PolarHBondContact O-N 3.13Å; T252-L254 VanDerWaalsContact C-N 3.31Å; T252-N255 CarbonylContact O-C 3.5Å; T252-N255 WeakPolarHBondContact O-CA 3.44Å; T252-N255 PolarHBondContact O-N 3.02Å; T252-E256 PolarHBondContact O-N 2.78Å
253N32.1Very low29.2Very low68 Ų6884.1 Ų84.136%0.36449%0.49SS..Hα-helixtrans-70.3-30.8174.7-73-62.9000111.7Q249 N255 C257Q249-N253 VanDerWaalsContact O-CB 3.26Å; Q249-N253 WeakPolarHBondContact O-CB 3.17Å; Q249-N253 PolarHBondContact O-N 3.08Å; Q249-N253 PolarHBondContact O-ND2 3.12Å; N253-N255 VanDerWaalsContact C-N 3.29Å; N253-C257 PolarHBondContact O-N 3.41Å; N253-C257 PolarHBondContact O-SG 3.19Å
254L31.2Very low29.1Very low64 Ų6487.5 Ų87.534%0.33551%0.51SS..Hα-helixtrans-64.1-35.6166.7-74.5172.6000111.4L250 T252 I291L250-L254 WeakPolarHBondContact O-CB 3.32Å; L250-L254 VanDerWaalsContact O-CD1 3.25Å; L250-L254 WeakPolarHBondContact O-CD1 3.32Å; L250-L254 WeakPolarHBondContact O-CG 3.36Å; L250-L254 PolarHBondContact O-N 3.4Å; T252-L254 VanDerWaalsContact C-N 3.31Å; L254-I291 HydrophobicContact CB-CD1 4.34Å; L254-I291 HydrophobicContact CB-CG2 4.1Å; L254-I291 HydrophobicContact CD1-CG2 3.91Å; L254-I291 HydrophobicContact CD2-CG2 3.77Å; L254-I291 HydrophobicContact CG-CG2 4.13Å; L254-I291 WeakPolarHBondContact O-CD1 3.12Å
255N28.7Very low29.2Very low94 Ų9485.3 Ų85.350%0.50352%0.517SS..Hα-helixtrans-79.8-32.5178.2-75.2-18.5000115.2L251 T252 N253 V258L251-N255 VanDerWaalsContact O-CG 3.28Å; L251-N255 PolarHBondContact O-N 3.01Å; L251-N255 VanDerWaalsContact O-N 3.11Å; L251-N255 PolarHBondContact O-ND2 2.96Å; T252-N255 CarbonylContact O-C 3.5Å; T252-N255 WeakPolarHBondContact O-CA 3.44Å; T252-N255 PolarHBondContact O-N 3.02Å; N253-N255 VanDerWaalsContact C-N 3.29Å; N255-V258 WeakPolarHBondContact O-CB 3.29Å; N255-V258 PolarHBondContact O-N 2.89Å
256E28.4Very low29Very low117 Ų11786.3 Ų86.355%0.54753%0.534SS..Hα-helixtrans-74.2-24.1176.7-79.3-176.2171.200113.2T252 V258 S259T252-E256 PolarHBondContact O-N 2.78Å; E256-V258 PolarHBondContact O-N 2.85Å; E256-S259 PolarHBondContact O-N 2.81Å; E256-S259 PolarHBondContact O-OG 2.79Å; E256-S259 VanDerWaalsContact O-OG 3.05Å
257C27.1Very low28.7Very low79 Ų7993.8 Ų93.853%0.53457%0.569SS.*Hα-helixtrans-61.9-19.1168-68.20000112.5N253 V261N253-C257 PolarHBondContact O-N 3.41Å; N253-C257 PolarHBondContact O-SG 3.19Å; C257-V261 WeakPolarHBondContact O-CG2 3.41Å
258V28.3Very low28.4Very low84 Ų8498.6 Ų98.651%0.50960%0.598SS.*Hα-helixtrans-86.3-35.2177.7178.40000112.1N255 E256 T260 V261 G262 I291N255-V258 WeakPolarHBondContact O-CB 3.29Å; N255-V258 PolarHBondContact O-N 2.89Å; E256-V258 PolarHBondContact O-N 2.85Å; V258-T260 PolarHBondContact O-N 2.87Å; V258-V261 PolarHBondContact O-N 2.96Å; V258-G262 PolarHBondContact O-N 3.05Å; V258-G262 VanDerWaalsContact O-N 3.11Å; V258-I291 HydrophobicContact CG2-CD1 3.87Å
259S23.6Very low28.1Very low77 Ų7799.1 Ų99.154%0.53861%0.614SS.*Hα-helixtrans-73.2-27.3-174.957.30000113.4E256E256-S259 PolarHBondContact O-N 2.81Å; E256-S259 PolarHBondContact O-OG 2.79Å; E256-S259 VanDerWaalsContact O-OG 3.05Å
260T24.4Very low27.6Very low109 Ų109103.9 Ų103.967%0.66963%0.634SS**THydrogen-bonded Turntrans-80-18.7175.951.80000113.5V258V258-T260 PolarHBondContact O-N 2.87Å
261V27.2Very low27.4Very low115 Ų115106.4 Ų106.470%0.69766%0.657SS**THydrogen-bonded Turntrans-89.3-27.8173.7-179.50000111.6C257 V258 A263C257-V261 WeakPolarHBondContact O-CG2 3.41Å; V258-V261 PolarHBondContact O-N 2.96Å; V261-A263 VanDerWaalsContact C-N 3.33Å; V261-A263 PolarHBondContact O-N 2.92Å
262G25Very low27Very low69 Ų69104.3 Ų104.371%0.71166%0.658SS**THydrogen-bonded Turntrans-77-5.6-178.700000116.5V258V258-G262 PolarHBondContact O-N 3.05Å; V258-G262 VanDerWaalsContact O-N 3.11Å
263A24.8Very low27.1Very low82 Ų82110.5 Ų110.568%0.67869%0.685SS**THydrogen-bonded Turntrans-96.2-6.8-174.600000114.9V261V261-A263 VanDerWaalsContact C-N 3.33Å; V261-A263 PolarHBondContact O-N 2.92Å
264V27.5Very low26.8Very low138 Ų138116.2 Ų116.284%0.83671%0.707SS**SBendtrans-114.881.3-179.9-169.80000109.8
265G31.1Very low26.4Very low75 Ų75120 Ų12077%0.77373%0.727SS**SBendtrans146.953.3167.900000115.4
266C25.3Very low26.4Very low126 Ų126124.4 Ų124.485%0.85175%0.747SS**  trans-15477.8159.8-150.40000111.6
267Q25.4Very low26.4Very low189 Ų189128.1 Ų128.188%0.88377%0.765SS**  trans-141.496.9150.3-70.6-163.16.500108.2
268T22.6Very low26.3Very low143 Ų143128 Ų12888%0.87777%0.765SS**  trans-170108.3141.528.20000108
269S26.6Very low26.2Very low125 Ų125130 Ų13087%0.87478%0.777SS**  trans-66121.1170.247.10000110
270F22.1Very low26.4Very low199 Ų199137.5 Ų137.587%0.87379%0.794SS**  trans-125.3110163.9-166.8-103.2000109.2
271S30.1Very low26.4Very low119 Ų119141.2 Ų141.283%0.83280%0.804SS**  trans-83.8112.8173.957.20000109.4
272G24.5Very low26.3Very low51 Ų51139.3 Ų139.353%0.52680%0.8SS.*  trans-156.1120.217100000109.7F274G272-F274 PolarHBondContact O-N 2.86Å
273M34.2Very low26.3Very low197 Ų197144.2 Ų144.297%0.9780%0.804SS**  trans-64.2122.9176-165132.481.300108.9
274F25.3Very low26.3Very low189 Ų189150.7 Ų150.783%0.82981%0.813SS**  trans-126.4135.3176.3-108.6-89.4000110.7G272G272-F274 PolarHBondContact O-N 2.86Å
275D22.7Very low26.2Very low143 Ų143154.1 Ų154.177%0.76582%0.817SS**  trans-64.2150.7-170.1-69.2-53.8000114.8E277D275-E277 VanDerWaalsContact C-N 3.26Å; D275-E277 PolarHBondContact O-N 2.89Å
276M29Very low25.9Very low187 Ų187156.5 Ų156.592%0.92181%0.807SS**THydrogen-bonded Turntrans-81.452-170.5-147.5-140.1-60.500113.1
277E28Very low25.9Very low195 Ų195155.1 Ų155.191%0.91180%0.798SS**THydrogen-bonded Turntrans-144.910.2174.8-141.3160-158.400115.5D275D275-E277 VanDerWaalsContact C-N 3.26Å; D275-E277 PolarHBondContact O-N 2.89Å
278S25.3Very low25.9Very low76 Ų76153.4 Ų153.453%0.53179%0.794SS.*  trans-113.713178.669.80000115.5R280S278-R280 PolarHBondContact O-N 3.35Å
279T25.2Very low26Very low127 Ų127153.4 Ų153.478%0.77979%0.788SS**THydrogen-bonded Turntrans-71.94.3-175.920.50000115.4
280R27.9Very low26Very low233 Ų233148.9 Ų148.988%0.87976%0.755SS**THydrogen-bonded Turntrans-100.8-13.2-178-73.4-169.3169.2155.50.7115.7S278S278-R280 PolarHBondContact O-N 3.35Å
281E25.6Very low26.2Very low188 Ų188141 Ų14188%0.87972%0.722SS**THydrogen-bonded Turntrans-106.3-10-176.5-68.3-176.816500114Q283E281-Q283 VanDerWaalsContact C-N 3.3Å; E281-Q283 PolarHBondContact O-N 2.97Å
282A24.7Very low26.6Very low75 Ų75137 Ų13762%0.6269%0.693SS**  trans-91.550.8174.500000112.3Y284A282-Y284 PolarHBondContact O-N 2.93Å
283Q24.9Very low26.9Very low172 Ų172137 Ų13780%0.80468%0.684SS**  trans-87.791.3164.6-85.1-178.53.300109.2E281 F285E281-Q283 VanDerWaalsContact C-N 3.3Å; E281-Q283 PolarHBondContact O-N 2.97Å; Q283-F285 PolarHBondContact O-N 3.46Å
284Y24.8Very low26.8Very low217 Ų217132.4 Ų132.485%0.85167%0.667SS**  trans-26.2124.4167.4-80.7-98.4000113.3A282 H286A282-Y284 PolarHBondContact O-N 2.93Å; Y284-H286 PolarHBondContact O-N 3.21Å
285F24.3Very low27.5Very low210 Ų210125.2 Ų125.292%0.92164%0.64SS**  trans-37.6102.6159.5-86.2-95.2000109.9Q283 C287Q283-F285 PolarHBondContact O-N 3.46Å; F285-C287 PolarHBondContact O-N 3.09Å
286H26.5Very low28.7Very low125 Ų125123.1 Ų123.158%0.57964%0.637SS**  trans-69.4113.1175.2-16565000107Y284 L288 T290Y284-H286 PolarHBondContact O-N 3.21Å; H286-L288 PolarHBondContact O-N 2.83Å; H286-T290 PolarHBondContact CD2-OG1 3.48Å; H286-T290 VanDerWaalsContact CD2-OG1 3.25Å; H286-T290 VanDerWaalsContact CE1-CG2 3.43Å; H286-T290 WeakPolarHBondContact CE1-CG2 3.31Å; H286-T290 PolarHBondContact CE1-OG1 2.86Å; H286-T290 VanDerWaalsContact NE2-CB 3.34Å; H286-T290 WeakPolarHBondContact NE2-CB 3.3Å; H286-T290 VanDerWaalsContact NE2-CG2 3.35Å; H286-T290 WeakPolarHBondContact NE2-CG2 3.36Å; H286-T290 PolarHBondContact NE2-OG1 3.47Å
287C23.5Very low29.8Very low97 Ų97121.1 Ų121.166%0.65563%0.625SS**  trans-50.2131.7179-870000110.8F285 L289 T290F285-C287 PolarHBondContact O-N 3.09Å; C287-L289 PolarHBondContact O-N 3.18Å; C287-T290 PolarHBondContact O-N 3.25Å; C287-T290 PolarHBondContact O-OG1 3.32Å
288L27.1Very low31Very low154 Ų154113.9 Ų113.981%0.80659%0.592SS**THydrogen-bonded Turntrans-55.5-3.4174.4-87.8147.1000114.8H286H286-L288 PolarHBondContact O-N 2.83Å
289L24Very low32.5Very low143 Ų143115.2 Ų115.275%0.74959%0.588SS**THydrogen-bonded Turntrans-118.834.6176.8-80.2158.1000111.6C287 I291C287-L289 PolarHBondContact O-N 3.18Å; L289-I291 PolarHBondContact O-N 2.99Å; L289-I291 VanDerWaalsContact O-N 3.09Å
290T26.8Very low34.2Very low30 Ų30116.6 Ų116.618%0.18459%0.591CS.*  trans-65.1117.4173.5-58.10000109.1H286 C287 V294H286-T290 PolarHBondContact CD2-OG1 3.48Å; H286-T290 VanDerWaalsContact CD2-OG1 3.25Å; H286-T290 VanDerWaalsContact CE1-CG2 3.43Å; H286-T290 WeakPolarHBondContact CE1-CG2 3.31Å; H286-T290 PolarHBondContact CE1-OG1 2.86Å; H286-T290 VanDerWaalsContact NE2-CB 3.34Å; H286-T290 WeakPolarHBondContact NE2-CB 3.3Å; H286-T290 VanDerWaalsContact NE2-CG2 3.35Å; H286-T290 WeakPolarHBondContact NE2-CG2 3.36Å; H286-T290 PolarHBondContact NE2-OG1 3.47Å; C287-T290 PolarHBondContact O-N 3.25Å; C287-T290 PolarHBondContact O-OG1 3.32Å; T290-V294 HydrophobicContact CG2-CB 4.4Å
291I26.6Very low35.7Very low34 Ų34108.7 Ų108.717%0.17457%0.568CS.*  trans-61.1138.3-174.5-59165.1000110.1L254 V258 L289 C293 V294L254-I291 HydrophobicContact CB-CD1 4.34Å; L254-I291 HydrophobicContact CB-CG2 4.1Å; L254-I291 HydrophobicContact CD1-CG2 3.91Å; L254-I291 HydrophobicContact CD2-CG2 3.77Å; L254-I291 HydrophobicContact CG-CG2 4.13Å; L254-I291 WeakPolarHBondContact O-CD1 3.12Å; V258-I291 HydrophobicContact CG2-CD1 3.87Å; L289-I291 PolarHBondContact O-N 2.99Å; L289-I291 VanDerWaalsContact O-N 3.09Å; I291-C293 HydrophobicContact CG2-CB 4.41Å; I291-C293 WeakPolarHBondContact CG2-SG 2.97Å; I291-C293 PolarHBondContact O-N 3.16Å; I291-V294 PolarHBondContact O-N 2.87Å
292T37Very low37.7Very low35 Ų35102.8 Ų102.822%0.21555%0.548CS..THydrogen-bonded Turntrans-54-14.5178.553.60000115.8F201 S295 W304F201-T292 HydrophobicContact CZ-CG2 4.11Å; T292-S295 PolarHBondContact O-OG 3.3Å; T292-S295 VanDerWaalsContact O-OG 3.11Å; T292-W304 HydrophobicContact CG2-CZ2 4.39Å; T292-W304 VanDerWaalsContact O-CD1 3.27Å; T292-W304 PolarHBondContact O-NE1 2.88Å
293C31.6Very low39.5Very low51 Ų5199.5 Ų99.535%0.34552%0.52SS..THydrogen-bonded Turntrans-88.4-15.1175.959.30000113.8I291I291-C293 HydrophobicContact CG2-CB 4.41Å; I291-C293 WeakPolarHBondContact CG2-SG 2.97Å; I291-C293 PolarHBondContact O-N 3.16Å
294V32.3Very low41.7Very low99 Ų9993.3 Ų93.360%0.649%0.49SS*.SBendtrans-98.510174.5-163.90000110.8T290 I291 S296T290-V294 HydrophobicContact CG2-CB 4.4Å; I291-V294 PolarHBondContact O-N 2.87Å; V294-S296 PolarHBondContact O-N 3.44Å; V294-S296 VanDerWaalsContact O-N 3.09Å
295S40Very low44.2Very low38 Ų3885.5 Ų85.527%0.26647%0.466SS..SBendtrans-65.2116.7163.860.20000106.9T292 E297 P303T292-S295 PolarHBondContact O-OG 3.3Å; T292-S295 VanDerWaalsContact O-OG 3.11Å; S295-E297 PolarHBondContact O-N 2.81Å; S295-P303 WeakPolarHBondContact OG-CB 3.04Å; S295-P303 WeakPolarHBondContact OG-CG 3.35Å
296S48.3Very low46.7Very low100 Ų10079.1 Ų79.170%0.69945%0.448SS*.  trans-40.1121.7-173.6-44.30000110.5V294 M298V294-S296 PolarHBondContact O-N 3.44Å; V294-S296 VanDerWaalsContact O-N 3.09Å; S296-M298 WeakPolarHBondContact O-CG 3.49Å; S296-M298 PolarHBondContact O-N 3.48Å
297E52.3Low49.2Very low145 Ų14578.2 Ų78.268%0.67844%0.442SS*.  trans-51.8107.7172.6-71.4-178.5168.900107.7S295 F299S295-E297 PolarHBondContact O-N 2.81Å; E297-F299 PolarHBondContact O-N 3.44Å
298M51.7Low51.9Low43 Ų4375 Ų7521%0.21242%0.42CS..BIsolated β-bridgetrans-86.6114.7176.6-69.9-174.958.700105.7S296 N300 T301 L325 V350S296-M298 WeakPolarHBondContact O-CG 3.49Å; S296-M298 PolarHBondContact O-N 3.48Å; M298-N300 PolarHBondContact O-N 3.43Å; M298-T301 PolarHBondContact O-N 3.47Å; M298-T301 PolarHBondContact O-OG1 3.11Å; M298-L325 HydrophobicContact CB-CD2 3.96Å; M298-L325 HydrophobicContact CE-CD2 4.34Å; M298-L325 HydrophobicContact CG-CD2 4.01Å; M298-L325 HydrophobicContact SD-CD1 4.17Å; M298-L325 HydrophobicContact SD-CD2 3.41Å; M298-L325 WeakPolarHBondContact SD-CD2 3.41Å; M298-L325 HydrophobicContact SD-CG 4.45Å; M298-V350 HydrophobicContact CE-CB 4.37Å; M298-V350 HydrophobicContact CE-CG1 3.94Å
299F57Low54.4Low103 Ų10368.9 Ų68.945%0.45239%0.39SS..THydrogen-bonded Turntrans59.348.4173.1-47.5-83.7000113.9E297 T301 V350 E352E297-F299 PolarHBondContact O-N 3.44Å; F299-T301 PolarHBondContact O-N 3.11Å; F299-T301 PolarHBondContact O-OG1 3.22Å; F299-V350 WeakPolarHBondContact CE2-O 3.27Å; F299-V350 VanDerWaalsContact CZ-O 3.32Å; F299-V350 WeakPolarHBondContact CZ-O 3.35Å; F299-E352 HydrophobicContact CE1-CG 3.78Å; F299-E352 HydrophobicContact CZ-CG 3.65Å
300N60.4Low56.9Low157 Ų15763.7 Ų63.784%0.8436%0.364SS*.THydrogen-bonded Turntrans53.419.9-179-67-19.3000114.3M298M298-N300 PolarHBondContact O-N 3.43Å
301T61.3Low59.4Low67 Ų6768.2 Ų68.241%0.41139%0.386SS..BIsolated β-bridgetrans-109.5126.1178.6-35.60000107.8M298 F299M298-T301 PolarHBondContact O-N 3.47Å; M298-T301 PolarHBondContact O-OG1 3.11Å; F299-T301 PolarHBondContact O-N 3.11Å; F299-T301 PolarHBondContact O-OG1 3.22Å
302S67.4Low61.9Low63 Ų6374 Ų7444%0.44142%0.416SS..  trans-55.9136.2174.4172.80000109.4W304 N324S302-W304 WeakPolarHBondContact CB-O 3.25Å; S302-W304 PolarHBondContact O-N 3.36Å; S302-W304 PolarHBondContact OG-N 2.86Å; S302-W304 PolarHBondContact OG-O 3.45Å; S302-N324 WeakPolarHBondContact O-CB 3.43Å; S302-N324 PolarHBondContact O-ND2 2.85Å
303P62.6Low63.9Low7 Ų775.8 Ų75.85%0.04543%0.427CS..SBendtrans-61.7-23.1177.724.8-36.2000113.3S295 N324 L325S295-P303 WeakPolarHBondContact OG-CB 3.04Å; S295-P303 WeakPolarHBondContact OG-CG 3.35Å; P303-N324 PolarHBondContact O-N 2.87Å; P303-L325 HydrophobicContact CB-CD1 4.11Å; P303-L325 HydrophobicContact CB-CG 4.41Å
304W70.2Confident65.9Low42 Ų4276.3 Ų76.316%0.15942%0.424CS..EExtended strand (participates in β ladder)trans-132.3142.5-178.9-60.591.7000111.4F201 T292 S302 L321 R322F201-W304 HydrophobicContact CE2-CH2 4.29Å; T292-W304 HydrophobicContact CG2-CZ2 4.39Å; T292-W304 VanDerWaalsContact O-CD1 3.27Å; T292-W304 PolarHBondContact O-NE1 2.88Å; S302-W304 WeakPolarHBondContact CB-O 3.25Å; S302-W304 PolarHBondContact O-N 3.36Å; S302-W304 PolarHBondContact OG-N 2.86Å; S302-W304 PolarHBondContact OG-O 3.45Å; W304-L321 HydrophobicContact CE3-CB 4.35Å; W304-R322 CarbonylContact C-O 3.4Å; W304-R322 WeakPolarHBondContact CA-O 3.28Å
305S76.6Confident67.9Low52 Ų5278.4 Ų78.436%0.36443%0.427SS..EExtended strand (participates in β ladder)trans-109.5130.4169.6-55.40000109L321 R322 N324S305-L321 WeakPolarHBondContact O-CA 2.99Å; S305-R322 PolarHBondContact N-O 2.97Å; S305-R322 PolarHBondContact O-N 3.26Å; S305-N324 VanDerWaalsContact OG-CG 3.29Å; S305-N324 PolarHBondContact OG-ND2 2.89Å; S305-N324 PolarHBondContact OG-OD1 2.83Å
306S77.3Confident69.6Low77 Ų7783.1 Ų83.154%0.53845%0.445SS..EExtended strand (participates in β ladder)trans-102.6141.9176.861.20000111.8V320S306-V320 WeakPolarHBondContact CA-O 3.21Å
307K79.1Confident71Confident105 Ų10579.3 Ų79.346%0.45742%0.419SS..EExtended strand (participates in β ladder)trans-144.8154.8177.6179.6172.5171.2-174.40110E18 V320E18-K307 IonicContact OE1-NZ 3.8Å; E18-K307 PolarHBondContact OE1-NZ 3.24Å; E18-K307 IonicContact OE2-NZ 2.81Å; E18-K307 PolarHBondContact OE2-NZ 2.93Å; K307-V320 PolarHBondContact N-O 3.35Å; K307-V320 PolarHBondContact O-N 3.07Å
308V79.4Confident72.4Confident30 Ų3072.6 Ų72.618%0.18239%0.388CS..EExtended strand (participates in β ladder)trans-107.3139.7168-178.80000108.3T310 A317 I318V308-T310 WeakPolarHBondContact CG1-O 3.34Å; V308-T310 PolarHBondContact O-N 3.39Å; V308-A317 HydrophobicContact CG1-CB 3.62Å; V308-I318 WeakPolarHBondContact CA-O 3.17Å
309S80.4Confident73.6Confident25 Ų2571.7 Ų71.718%0.17539%0.388CS..SBendtrans-62.5-38.7-176.360.10000113.9Q16 I318Q16-S309 WeakPolarHBondContact O-CB 3.41Å; S309-I318 PolarHBondContact N-O 3.45Å; S309-I318 WeakPolarHBondContact OG-CG1 3.43Å; S309-I318 PolarHBondContact OG-N 3.24Å
310T77.4Confident74.6Confident34 Ų3467.3 Ų67.321%0.20937%0.369CS..  trans-144.8142-179.6-179.20000111.8V308 L312 T313 A317V308-T310 WeakPolarHBondContact CG1-O 3.34Å; V308-T310 PolarHBondContact O-N 3.39Å; T310-L312 PolarHBondContact OG1-N 2.85Å; T310-T313 WeakPolarHBondContact CG2-OG1 3.39Å; T310-A317 HydrophobicContact CG2-CB 3.85Å
311I78.2Confident75.4Confident126 Ų12662.8 Ų62.865%0.64635%0.345SS*.SBendtrans-102.2-5.2174.161170.7000112.5F314I311-F314 HydrophobicContact CB-CE1 4.49Å; I311-F314 HydrophobicContact CB-CZ 4.18Å; I311-F314 WeakPolarHBondContact O-CE2 3.42Å; I311-F314 WeakPolarHBondContact O-CZ 3.45Å
312L78.9Confident76.2Confident154 Ų15465.4 Ų65.481%0.80635%0.347SS*.SBendtrans-94-36.6-176.9-62.2177.4000111.7T310T310-L312 PolarHBondContact OG1-N 2.85Å
313T79.9Confident76.6Confident74 Ų7462.5 Ų62.545%0.45433%0.327SS..  trans-125.971.3-176.954.50000110.7T310 Q315 H316 A317T310-T313 WeakPolarHBondContact CG2-OG1 3.39Å; T313-Q315 PolarHBondContact O-N 3.27Å; T313-H316 PolarHBondContact O-N 3.23Å; T313-A317 PolarHBondContact O-N 3.25Å
314F72.8Confident77.3Confident62 Ų6263.9 Ų63.927%0.27233%0.334SS..G310 helixtrans-54.6-28.4-176.9-67.9-74.1000114.5A239 F242 I311 H316 A317A239-F314 HydrophobicContact CB-CD2 4.19Å; A239-F314 HydrophobicContact CB-CE1 4.49Å; A239-F314 HydrophobicContact CB-CE2 3.25Å; A239-F314 HydrophobicContact CB-CZ 3.45Å; A239-F314 VanDerWaalsContact CB-CZ 3.45Å; F242-F314 HydrophobicContact CD1-CD1 4.37Å; I311-F314 HydrophobicContact CB-CE1 4.49Å; I311-F314 HydrophobicContact CB-CZ 4.18Å; I311-F314 WeakPolarHBondContact O-CE2 3.42Å; I311-F314 WeakPolarHBondContact O-CZ 3.45Å; F314-H316 PolarHBondContact O-N 3.29Å; F314-A317 WeakPolarHBondContact O-CB 3.46Å; F314-A317 PolarHBondContact O-N 3.47Å
315Q74.1Confident77.3Confident142 Ų14263 Ų6366%0.66433%0.332SS*.G310 helixtrans-62.7-25.1178.2-58.9-179.31.500113.5I235 T313I235-Q315 HydrophobicContact CD1-CB 4.19Å; I235-Q315 HydrophobicContact CD1-CG 4.19Å; I235-Q315 HydrophobicContact CG2-CG 4.19Å; T313-Q315 PolarHBondContact O-N 3.27Å
316H76.9Confident77.4Confident137 Ų13761.7 Ų61.763%0.63432%0.319SS*.G310 helixtrans-114.37.7179.8-56.398.1000112T313 F314T313-H316 PolarHBondContact O-N 3.23Å; F314-H316 PolarHBondContact O-N 3.29Å
317A78.1Confident77.5Confident20 Ų2060.4 Ų60.417%0.16531%0.309CS..  trans-73.4143.4-17800000110.9V308 T310 T313 F314V308-A317 HydrophobicContact CG1-CB 3.62Å; T310-A317 HydrophobicContact CG2-CB 3.85Å; T313-A317 PolarHBondContact O-N 3.25Å; F314-A317 WeakPolarHBondContact O-CB 3.46Å; F314-A317 PolarHBondContact O-N 3.47Å
318I80.7Confident77.5Confident4 Ų455.9 Ų55.92%0.02129%0.292CS..  trans-112.9147.7173.966.2162.3000110Y13 Q16 A17 V308 S309 V320 C334Y13-I318 HydrophobicContact CD1-CG2 4.02Å; Y13-I318 HydrophobicContact CE1-CG2 4.32Å; Y13-I318 VanDerWaalsContact O-CD1 3.29Å; Y13-I318 WeakPolarHBondContact O-CD1 3.5Å; Q16-I318 HydrophobicContact CB-CD1 3.59Å; Q16-I318 HydrophobicContact CB-CG1 4.11Å; A17-I318 HydrophobicContact CB-CD1 3.93Å; V308-I318 WeakPolarHBondContact CA-O 3.17Å; S309-I318 PolarHBondContact N-O 3.45Å; S309-I318 WeakPolarHBondContact OG-CG1 3.43Å; S309-I318 PolarHBondContact OG-N 3.24Å; I318-V320 HydrophobicContact CD1-CG2 3.96Å; I318-V320 HydrophobicContact CG1-CG2 4.01Å; I318-C334 HydrophobicContact CB-CB 4.38Å; I318-C334 HydrophobicContact CG2-CB 3.69Å
319A77.3Confident77.5Confident25 Ų2554.6 Ų54.621%0.20729%0.285CS..EExtended strand (participates in β ladder)trans-86.8134.117100000109L246 Y332 A333L246-A319 HydrophobicContact CD2-CB 4.3Å; A319-Y332 CarbonylContact O-C 3.58Å; A319-Y332 WeakPolarHBondContact O-CA 3.25Å; A319-A333 PolarHBondContact N-O 3.16Å; A319-A333 PolarHBondContact O-N 2.86Å
320V76.9Confident77.4Confident11 Ų1155.2 Ų55.27%0.06728%0.284CS..EExtended strand (participates in β ladder)trans-127.6133.3-177.5-174.30000109A17 S306 K307 I318 F330 A331A17-V320 HydrophobicContact CB-CB 4.45Å; A17-V320 HydrophobicContact CB-CG1 3.91Å; A17-V320 HydrophobicContact CB-CG2 3.64Å; S306-V320 WeakPolarHBondContact CA-O 3.21Å; K307-V320 PolarHBondContact N-O 3.35Å; K307-V320 PolarHBondContact O-N 3.07Å; I318-V320 HydrophobicContact CD1-CG2 3.96Å; I318-V320 HydrophobicContact CG1-CG2 4.01Å; V320-F330 HydrophobicContact CG1-CD1 4.28Å; V320-A331 CarbonylContact C-O 3.57Å; V320-A331 WeakPolarHBondContact CA-O 3.29Å
321L77.3Confident77.5Confident61 Ų6154.2 Ų54.232%0.31928%0.28SS..EExtended strand (participates in β ladder)trans-116.8134.1171.9-66.3176.7000109.1W304 S305 F330 A331W304-L321 HydrophobicContact CE3-CB 4.35Å; S305-L321 WeakPolarHBondContact O-CA 2.99Å; L321-F330 CarbonylContact O-C 3.51Å; L321-F330 VanDerWaalsContact O-CA 3.31Å; L321-F330 WeakPolarHBondContact O-CA 3.48Å; L321-A331 HydrophobicContact CB-CB 4.43Å; L321-A331 PolarHBondContact N-O 3.18Å; L321-A331 PolarHBondContact O-N 2.96Å
322R79.5Confident77.5Confident122 Ų12248.8 Ų48.846%0.4625%0.251SS..EExtended strand (participates in β ladder)trans-120.9133.5175.5175.8-175.9167-172.2-2.1109.5W304 S305 F330W304-R322 CarbonylContact C-O 3.4Å; W304-R322 WeakPolarHBondContact CA-O 3.28Å; S305-R322 PolarHBondContact N-O 2.97Å; S305-R322 PolarHBondContact O-N 3.26Å; R322-F330 HydrophobicContact CB-CD1 4Å; R322-F330 HydrophobicContact CB-CE1 3.86Å; R322-F330 HydrophobicContact CB-CZ 4.49Å; R322-F330 HydrophobicContact CG-CD1 4.23Å; R322-F330 HydrophobicContact CG-CE1 3.77Å; R322-F330 HydrophobicContact CG-CE2 4.46Å; R322-F330 HydrophobicContact CG-CZ 3.9Å
323S74.4Confident77.4Confident3 Ų342.7 Ų42.72%0.02122%0.223CC..EExtended strand (participates in β ladder)trans-76133.1172.8-168.90000111.1L325 W326 A329S323-L325 PolarHBondContact OG-N 2.94Å; S323-W326 PolarHBondContact OG-N 2.73Å; S323-A329 PolarHBondContact N-O 3.11Å
324N77.1Confident77.1Confident35 Ų3540.8 Ų40.819%0.18721%0.212CC..SBendtrans-86.9-26.3170.2-68.2-18.3000111.4S302 P303 S305 Y349S302-N324 WeakPolarHBondContact O-CB 3.43Å; S302-N324 PolarHBondContact O-ND2 2.85Å; P303-N324 PolarHBondContact O-N 2.87Å; S305-N324 VanDerWaalsContact OG-CG 3.29Å; S305-N324 PolarHBondContact OG-ND2 2.89Å; S305-N324 PolarHBondContact OG-OD1 2.83Å; N324-Y349 WeakPolarHBondContact O-CB 3.04Å
325L71.9Confident77.1Confident25 Ų2540.5 Ų40.513%0.13123%0.226CC..SBendtrans-80.2-32.4176.5-66.2-179.6000113M298 P303 S323 P327 K348 Y349M298-L325 HydrophobicContact CB-CD2 3.96Å; M298-L325 HydrophobicContact CE-CD2 4.34Å; M298-L325 HydrophobicContact CG-CD2 4.01Å; M298-L325 HydrophobicContact SD-CD1 4.17Å; M298-L325 HydrophobicContact SD-CD2 3.41Å; M298-L325 WeakPolarHBondContact SD-CD2 3.41Å; M298-L325 HydrophobicContact SD-CG 4.45Å; P303-L325 HydrophobicContact CB-CD1 4.11Å; P303-L325 HydrophobicContact CB-CG 4.41Å; S323-L325 PolarHBondContact OG-N 2.94Å; L325-P327 WeakPolarHBondContact O-CD 3.22Å; L325-K348 CarbonylContact O-C 3.4Å; L325-K348 WeakPolarHBondContact O-CA 3.28Å; L325-Y349 PolarHBondContact O-N 2.72Å
326W77Confident76.8Confident23 Ų2341 Ų419%0.08723%0.226CC..SBendtrans-121.284.2176.8-68.8103.3000109.7V153 G196 I197 S323 G328 A329 Y342 K348V153-W326 HydrophobicContact CG1-CH2 4.29Å; G196-W326 PolarHBondContact O-NE1 3.29Å; I197-W326 HydrophobicContact CD1-CH2 3.34Å; I197-W326 HydrophobicContact CD1-CZ2 3.71Å; I197-W326 HydrophobicContact CD1-CZ3 3.94Å; I197-W326 HydrophobicContact CG1-CH2 3.46Å; I197-W326 VanDerWaalsContact CG1-CH2 3.46Å; I197-W326 HydrophobicContact CG1-CZ2 3.23Å; I197-W326 HydrophobicContact CG1-CZ3 4.17Å; S323-W326 PolarHBondContact OG-N 2.73Å; W326-G328 PolarHBondContact O-N 3.18Å; W326-G328 VanDerWaalsContact O-N 3.08Å; W326-A329 HydrophobicContact CB-CB 4.05Å; W326-A329 WeakPolarHBondContact O-CB 3.19Å; W326-A329 PolarHBondContact O-N 2.95Å; W326-Y342 HydrophobicContact CB-CE2 4.38Å; W326-K348 HydrophobicContact CD2-CB 4.43Å; W326-K348 HydrophobicContact CD2-CG 4.36Å; W326-K348 HydrophobicContact CE3-CB 4.27Å; W326-K348 HydrophobicContact CH2-CB 3.45Å; W326-K348 VanDerWaalsContact CH2-CB 3.45Å; W326-K348 HydrophobicContact CH2-CD 4.41Å; W326-K348 HydrophobicContact CH2-CG 4.03Å; W326-K348 HydrophobicContact CZ2-CB 3.64Å; W326-K348 HydrophobicContact CZ2-CD 3.8Å; W326-K348 HydrophobicContact CZ2-CG 3.65Å; W326-K348 HydrophobicContact CZ3-CB 3.82Å
327P80Confident76.5Confident51 Ų5138.7 Ų38.733%0.33122%0.215SC..THydrogen-bonded Turntrans-54.4120.2175.1-24.634.3000110.1L325 Y342L325-P327 WeakPolarHBondContact O-CD 3.22Å; P327-Y342 PolarHBondContact O-OH 3.39Å
328G78.5Confident76.4Confident10 Ų1044 Ų4410%0.10323%0.234CC..THydrogen-bonded Turntrans110.1-13.5-173.800000114.9W326 F330 Y342 I343W326-G328 PolarHBondContact O-N 3.18Å; W326-G328 VanDerWaalsContact O-N 3.08Å; G328-F330 WeakPolarHBondContact O-CD2 3.43Å; G328-Y342 CarbonylContact O-C 2.92Å; G328-Y342 WeakPolarHBondContact O-CA 3.48Å; G328-I343 WeakPolarHBondContact CA-O 3.39Å; G328-I343 PolarHBondContact O-N 2.57Å
329A79.3Confident76.1Confident2 Ų246 Ų462%0.01724%0.244CC..EExtended strand (participates in β ladder)trans-85.6123.6173.600000111.1I200 S323 W326 Y342I200-A329 HydrophobicContact CD1-CB 4.35Å; S323-A329 PolarHBondContact N-O 3.11Å; W326-A329 HydrophobicContact CB-CB 4.05Å; W326-A329 WeakPolarHBondContact O-CB 3.19Å; W326-A329 PolarHBondContact O-N 2.95Å; A329-Y342 HydrophobicContact CB-CD2 3.87Å; A329-Y342 HydrophobicContact CB-CE2 4.41Å
330F79Confident76.2Confident39 Ų3945.7 Ų45.717%0.17124%0.238CC..EExtended strand (participates in β ladder)trans-131.7150.4178.8-69.9-102.4000110.9V19 V320 L321 R322 G328 N340 I341V19-F330 HydrophobicContact CB-CD1 4.07Å; V19-F330 HydrophobicContact CB-CD2 4.05Å; V19-F330 HydrophobicContact CB-CE1 4.18Å; V19-F330 HydrophobicContact CB-CE2 4.17Å; V19-F330 HydrophobicContact CB-CG 3.99Å; V19-F330 HydrophobicContact CB-CZ 4.23Å; V19-F330 HydrophobicContact CG1-CB 3.79Å; V19-F330 HydrophobicContact CG1-CD1 3.75Å; V19-F330 HydrophobicContact CG1-CD2 4.19Å; V19-F330 HydrophobicContact CG1-CE1 4.33Å; V19-F330 HydrophobicContact CG1-CG 3.67Å; V19-F330 HydrophobicContact CG2-CB 4.46Å; V19-F330 HydrophobicContact CG2-CD1 4.48Å; V19-F330 HydrophobicContact CG2-CD2 3.56Å; V19-F330 HydrophobicContact CG2-CE2 3.77Å; V19-F330 HydrophobicContact CG2-CG 3.95Å; V19-F330 HydrophobicContact CG2-CZ 4.31Å; V320-F330 HydrophobicContact CG1-CD1 4.28Å; L321-F330 CarbonylContact O-C 3.51Å; L321-F330 VanDerWaalsContact O-CA 3.31Å; L321-F330 WeakPolarHBondContact O-CA 3.48Å; R322-F330 HydrophobicContact CB-CD1 4Å; R322-F330 HydrophobicContact CB-CE1 3.86Å; R322-F330 HydrophobicContact CB-CZ 4.49Å; R322-F330 HydrophobicContact CG-CD1 4.23Å; R322-F330 HydrophobicContact CG-CE1 3.77Å; R322-F330 HydrophobicContact CG-CE2 4.46Å; R322-F330 HydrophobicContact CG-CZ 3.9Å; G328-F330 WeakPolarHBondContact O-CD2 3.43Å; F330-N340 CarbonylContact O-C 3.55Å; F330-N340 VanDerWaalsContact O-CA 3.29Å; F330-N340 WeakPolarHBondContact O-CA 3.42Å; F330-I341 HydrophobicContact CB-CG2 4.28Å; F330-I341 PolarHBondContact N-O 2.66Å; F330-I341 PolarHBondContact O-N 3.33Å
331A79.1Confident76.3Confident13 Ų1345.4 Ų45.411%0.10724%0.236CC..EExtended strand (participates in β ladder)trans-136.4144.616800000109.5V320 L321 E339 N340V320-A331 CarbonylContact C-O 3.57Å; V320-A331 WeakPolarHBondContact CA-O 3.29Å; L321-A331 HydrophobicContact CB-CB 4.43Å; L321-A331 PolarHBondContact N-O 3.18Å; L321-A331 PolarHBondContact O-N 2.96Å; A331-E339 VanDerWaalsContact CA-O 3.3Å; A331-E339 WeakPolarHBondContact CA-O 3.12Å; A331-N340 HydrophobicContact CB-CB 4.2Å
332Y78.9Confident76.5Confident11 Ų1142.7 Ų42.74%0.04322%0.222CC..EExtended strand (participates in β ladder)trans-127.2156.6172.472.8-98.5000111.5Y13 L14 A319 F338 E339Y13-Y332 HydrophobicContact CD1-CE2 4.44Å; Y13-Y332 AromaticContact CD2-CE2 3.95Å; Y13-Y332 HydrophobicContact CD2-CE2 3.95Å; Y13-Y332 HydrophobicContact CG-CD2 4.29Å; Y13-Y332 AromaticContact CG-CE2 3.67Å; Y13-Y332 HydrophobicContact CG-CE2 3.67Å; L14-Y332 HydrophobicContact CD2-CD1 3.86Å; L14-Y332 HydrophobicContact CD2-CE1 3.83Å; L14-Y332 HydrophobicContact CG-CD1 4.45Å; L14-Y332 HydrophobicContact CG-CE1 4Å; A319-Y332 CarbonylContact O-C 3.58Å; A319-Y332 WeakPolarHBondContact O-CA 3.25Å; Y332-F338 VanDerWaalsContact O-CA 3.22Å; Y332-F338 WeakPolarHBondContact O-CA 3.11Å; Y332-F338 WeakPolarHBondContact O-CB 3.17Å; Y332-E339 HydrophobicContact CD1-CB 4.39Å; Y332-E339 HydrophobicContact CE1-CB 3.61Å; Y332-E339 HydrophobicContact CE1-CG 4.37Å; Y332-E339 PolarHBondContact N-O 3.14Å; Y332-E339 PolarHBondContact O-N 3.1Å; Y332-E339 WeakPolarHBondContact OH-CG 3.08Å
333A75.9Confident76.8Confident27 Ų2738.6 Ų38.622%0.22321%0.209CC..EExtended strand (participates in β ladder)trans-137.8133.5171.300000110.9A319 K337 F338A319-A333 PolarHBondContact N-O 3.16Å; A319-A333 PolarHBondContact O-N 2.86Å; A333-K337 WeakPolarHBondContact CA-O 3.26Å; A333-F338 HydrophobicContact CB-CB 4.38Å
334C74.9Confident77.2Confident34 Ų3438.7 Ų38.723%0.2321%0.21CC..EExtended strand (participates in β ladder)trans-142100.5175.1-174.30000109.7Y13 I318 K336 K337Y13-C334 HydrophobicContact CD1-CB 4.18Å; Y13-C334 HydrophobicContact CE1-CB 3.8Å; I318-C334 HydrophobicContact CB-CB 4.38Å; I318-C334 HydrophobicContact CG2-CB 3.69Å; C334-K336 PolarHBondContact O-N 3.09Å; C334-K336 VanDerWaalsContact O-N 3.1Å; C334-K337 PolarHBondContact N-O 3.45Å; C334-K337 PolarHBondContact O-N 2.95Å
335G71.4Confident77.1Confident55 Ų5543.6 Ų43.657%0.56723%0.226SC*.THydrogen-bonded Turntrans62-111.7-177.800000112
336K69.3Low77.2Confident152 Ų15243.4 Ų43.466%0.66123%0.23SC*.THydrogen-bonded Turntrans-93.5-4.8177.6-54.8-175.2-165.7-173.50113.6Y228 C334Y228-K336 HydrophobicContact CE1-CD 3.81Å; Y228-K336 VanDerWaalsContact CE1-CE 3.46Å; Y228-K336 HydrophobicContact CE1-CG 4.33Å; Y228-K336 PolarHBondContact OH-NZ 3.02Å; C334-K336 PolarHBondContact O-N 3.09Å; C334-K336 VanDerWaalsContact O-N 3.1Å
337K70.7Confident76.7Confident89 Ų8945.8 Ų45.839%0.38724%0.244SC..EExtended strand (participates in β ladder)trans-102.4131.3-174.6-59176.3-167.91650108.9E9 Y13 A333 C334E9-K337 VanDerWaalsContact OE1-CD 3.28Å; E9-K337 WeakPolarHBondContact OE1-CD 3.32Å; E9-K337 WeakPolarHBondContact OE1-CE 3.34Å; E9-K337 IonicContact OE1-NZ 2.57Å; E9-K337 PolarHBondContact OE1-NZ 3.35Å; Y13-K337 HydrophobicContact CE2-CD 3.58Å; Y13-K337 PolarHBondContact OH-NZ 2.93Å; Y13-K337 VanDerWaalsContact OH-NZ 3.15Å; A333-K337 WeakPolarHBondContact CA-O 3.26Å; C334-K337 PolarHBondContact N-O 3.45Å; C334-K337 PolarHBondContact O-N 2.95Å
338F76Confident76.3Confident132 Ų13247.2 Ų47.258%0.57925%0.245SC*.EExtended strand (participates in β ladder)trans-149145.5175.762.3-88.2000108.6Y332 A333Y332-F338 VanDerWaalsContact O-CA 3.22Å; Y332-F338 WeakPolarHBondContact O-CA 3.11Å; Y332-F338 WeakPolarHBondContact O-CB 3.17Å; A333-F338 HydrophobicContact CB-CB 4.38Å
339E74.3Confident75.8Confident47 Ų4753.1 Ų53.122%0.2227%0.265CS..EExtended strand (participates in β ladder)trans-148.4161.3172.1-73.5-65.516900109.5I10 R46 A331 Y332I10-E339 HydrophobicContact CD1-CG 4.06Å; I10-E339 HydrophobicContact CG1-CG 3.99Å; I10-E339 HydrophobicContact CG2-CG 4.38Å; R46-E339 IonicContact CZ-OE2 2.67Å; R46-E339 IonicContact NE-OE2 3.76Å; R46-E339 PolarHBondContact NE-OE2 3.3Å; R46-E339 IonicContact NH2-OE2 3.85Å; R46-E339 PolarHBondContact NH2-OE2 3.44Å; A331-E339 VanDerWaalsContact CA-O 3.3Å; A331-E339 WeakPolarHBondContact CA-O 3.12Å; Y332-E339 HydrophobicContact CD1-CB 4.39Å; Y332-E339 HydrophobicContact CE1-CB 3.61Å; Y332-E339 HydrophobicContact CE1-CG 4.37Å; Y332-E339 PolarHBondContact N-O 3.14Å; Y332-E339 PolarHBondContact O-N 3.1Å; Y332-E339 WeakPolarHBondContact OH-CG 3.08Å
340N78.6Confident75.2Confident17 Ų1756 Ų569%0.09128%0.283CS..EExtended strand (participates in β ladder)trans-123.5152.2170.461.162000110R46 F201 F330 A331R46-N340 PolarHBondContact NH1-OD1 3.39Å; R46-N340 PolarHBondContact NH2-ND2 3.35Å; R46-N340 PolarHBondContact NH2-O 3.2Å; R46-N340 PolarHBondContact NH2-OD1 3.03Å; F201-N340 WeakPolarHBondContact CB-ND2 3.38Å; F201-N340 HydrophobicContact CD2-CB 4.33Å; F330-N340 CarbonylContact O-C 3.55Å; F330-N340 VanDerWaalsContact O-CA 3.29Å; F330-N340 WeakPolarHBondContact O-CA 3.42Å; A331-N340 HydrophobicContact CB-CB 4.2Å
341I78.4Confident74.4Confident5 Ų555.8 Ų55.83%0.02629%0.291CS..EExtended strand (participates in β ladder)trans-149.8144.9176.9-169.2168.1000110.5L14 F21 F330 I343L14-I341 HydrophobicContact CD1-CD1 3.74Å; L14-I341 HydrophobicContact CD1-CG2 4.39Å; L14-I341 HydrophobicContact CD2-CB 4.35Å; L14-I341 HydrophobicContact CD2-CG2 3.51Å; F21-I341 HydrophobicContact CD2-CD1 4.28Å; F21-I341 HydrophobicContact CE2-CD1 3.4Å; F21-I341 VanDerWaalsContact CE2-CD1 3.4Å; F21-I341 HydrophobicContact CZ-CD1 3.81Å; F330-I341 HydrophobicContact CB-CG2 4.28Å; F330-I341 PolarHBondContact N-O 2.66Å; F330-I341 PolarHBondContact O-N 3.33Å; I341-I343 HydrophobicContact CD1-CD1 3.93Å; I341-I343 HydrophobicContact CD1-CG1 4.02Å; I341-I343 HydrophobicContact CG1-CD1 4.45Å; I341-I343 HydrophobicContact CG1-CG1 4.05Å
342Y82.4Confident73.6Confident5 Ų561.7 Ų61.72%0.0232%0.316CS..EExtended strand (participates in β ladder)trans-108.7127.1167.1-174.3-99.8000111.5W48 G49 K50 W326 P327 G328 A329 W345 G346W48-Y342 AromaticContact CH2-CD1 3.54Å; W48-Y342 HydrophobicContact CH2-CD1 3.54Å; W48-Y342 HydrophobicContact CH2-CE1 4.43Å; W48-Y342 AromaticContact CH2-CG 3.59Å; W48-Y342 HydrophobicContact CH2-CG 3.59Å; W48-Y342 HydrophobicContact CZ2-CG 4.39Å; W48-Y342 AromaticContact CZ3-CD1 3.49Å; W48-Y342 HydrophobicContact CZ3-CD1 3.49Å; W48-Y342 VanDerWaalsContact CZ3-CD1 3.49Å; W48-Y342 AromaticContact CZ3-CG 3.81Å; W48-Y342 HydrophobicContact CZ3-CG 3.81Å; W48-Y342 PolarHBondContact O-N 3.33Å; W48-Y342 VanDerWaalsContact O-N 3.16Å; G49-Y342 CarbonylContact C-O 3.53Å; G49-Y342 WeakPolarHBondContact CA-O 3.24Å; K50-Y342 PolarHBondContact N-O 2.71Å; W326-Y342 HydrophobicContact CB-CE2 4.38Å; P327-Y342 PolarHBondContact O-OH 3.39Å; G328-Y342 CarbonylContact O-C 2.92Å; G328-Y342 WeakPolarHBondContact O-CA 3.48Å; A329-Y342 HydrophobicContact CB-CD2 3.87Å; A329-Y342 HydrophobicContact CB-CE2 4.41Å; Y342-W345 PolarHBondContact OH-N 2.85Å; Y342-G346 WeakPolarHBondContact OH-CA 3.26Å; Y342-G346 PolarHBondContact OH-N 2.88Å
343I86.1Confident72.9Confident35 Ų3567.7 Ų67.718%0.17935%0.354CS..EExtended strand (participates in β ladder)trans-134.5101.6170.5-54.2179.9000108.1V19 F21 K50 G328 I341V19-I343 HydrophobicContact CG2-CD1 4.15Å; F21-I343 HydrophobicContact CD1-CD1 4.13Å; F21-I343 HydrophobicContact CE1-CD1 3.69Å; F21-I343 HydrophobicContact CE1-CG1 3.98Å; F21-I343 HydrophobicContact CE2-CD1 4.24Å; F21-I343 HydrophobicContact CZ-CD1 3.77Å; F21-I343 HydrophobicContact CZ-CG1 3.9Å; K50-I343 HydrophobicContact CB-CG2 4.46Å; K50-I343 WeakPolarHBondContact O-CA 3.49Å; G328-I343 WeakPolarHBondContact CA-O 3.39Å; G328-I343 PolarHBondContact O-N 2.57Å; I341-I343 HydrophobicContact CD1-CD1 3.93Å; I341-I343 HydrophobicContact CD1-CG1 4.02Å; I341-I343 HydrophobicContact CG1-CD1 4.45Å; I341-I343 HydrophobicContact CG1-CG1 4.05Å
344G82.4Confident72.4Confident5 Ų572.8 Ų72.85%0.05237%0.368CS..EExtended strand (participates in β ladder)trans179.7-167.9-175.900000115K50 I51 L52K50-G344 PolarHBondContact O-N 3.04Å; K50-G344 VanDerWaalsContact O-N 3.12Å; I51-G344 CarbonylContact C-O 3.55Å; I51-G344 WeakPolarHBondContact CA-O 3.47Å; L52-G344 PolarHBondContact N-O 2.8Å
345W74.7Confident72.1Confident139 Ų13975.9 Ų75.953%0.52739%0.39SS..  trans-85.6-2.5-172.7-68.396.8000114.9L52 Y342 L347L52-W345 HydrophobicContact CB-CD2 3.92Å; L52-W345 HydrophobicContact CB-CE3 3.86Å; L52-W345 HydrophobicContact CB-CG 4.46Å; L52-W345 HydrophobicContact CB-CH2 4.39Å; L52-W345 HydrophobicContact CB-CZ2 4.43Å; L52-W345 HydrophobicContact CB-CZ3 4.11Å; L52-W345 HydrophobicContact CD1-CD2 4.34Å; L52-W345 HydrophobicContact CD1-CZ2 4.31Å; Y342-W345 PolarHBondContact OH-N 2.85Å; W345-L347 VanDerWaalsContact C-N 3.26Å; W345-L347 HydrophobicContact CB-CD1 4.15Å; W345-L347 HydrophobicContact CB-CG 4.11Å; W345-L347 PolarHBondContact O-N 2.81Å
346G73.8Confident72.4Confident20 Ų2077.1 Ų77.121%0.20639%0.388CS..SBendtrans68.623.2-172.700000113.6Y342Y342-G346 WeakPolarHBondContact OH-CA 3.26Å; Y342-G346 PolarHBondContact OH-N 2.88Å
347L67.9Low72.8Confident73 Ų7375.1 Ų75.138%0.38239%0.391SS..  trans-105.9126.4-178.4-64.4176.6000111W345W345-L347 VanDerWaalsContact C-N 3.26Å; W345-L347 HydrophobicContact CB-CD1 4.15Å; W345-L347 HydrophobicContact CB-CG 4.11Å; W345-L347 PolarHBondContact O-N 2.81Å
348K70.8Confident73.3Confident81 Ų8178.2 Ų78.235%0.35241%0.41SS..  trans-71.4130.8172.4-162.3176.8177.2-175.10109.3L325 W326 V350L325-K348 CarbonylContact O-C 3.4Å; L325-K348 WeakPolarHBondContact O-CA 3.28Å; W326-K348 HydrophobicContact CD2-CB 4.43Å; W326-K348 HydrophobicContact CD2-CG 4.36Å; W326-K348 HydrophobicContact CE3-CB 4.27Å; W326-K348 HydrophobicContact CH2-CB 3.45Å; W326-K348 VanDerWaalsContact CH2-CB 3.45Å; W326-K348 HydrophobicContact CH2-CD 4.41Å; W326-K348 HydrophobicContact CH2-CG 4.03Å; W326-K348 HydrophobicContact CZ2-CB 3.64Å; W326-K348 HydrophobicContact CZ2-CD 3.8Å; W326-K348 HydrophobicContact CZ2-CG 3.65Å; W326-K348 HydrophobicContact CZ3-CB 3.82Å; K348-V350 HydrophobicContact CB-CG2 4.14Å; K348-V350 HydrophobicContact CD-CG2 4.21Å; K348-V350 HydrophobicContact CG-CG2 4.11Å; K348-V350 PolarHBondContact O-N 2.78Å
349Y68.3Low73.7Confident134 Ų13476.8 Ų76.853%0.52541%0.414SS..  trans-78.5110.3166-172.9-105.2000108.9N324 L325N324-Y349 WeakPolarHBondContact O-CB 3.04Å; L325-Y349 PolarHBondContact O-N 2.72Å
350V66.3Low74.2Confident64 Ų6480 Ų8039%0.38844%0.439SS..  trans-103.35.9-177.9-173.10000111.1M298 F299 K348 E352M298-V350 HydrophobicContact CE-CB 4.37Å; M298-V350 HydrophobicContact CE-CG1 3.94Å; F299-V350 WeakPolarHBondContact CE2-O 3.27Å; F299-V350 VanDerWaalsContact CZ-O 3.32Å; F299-V350 WeakPolarHBondContact CZ-O 3.35Å; K348-V350 HydrophobicContact CB-CG2 4.14Å; K348-V350 HydrophobicContact CD-CG2 4.21Å; K348-V350 HydrophobicContact CG-CG2 4.11Å; K348-V350 PolarHBondContact O-N 2.78Å; V350-E352 PolarHBondContact O-N 3.3Å
351G62.7Low74.6Confident34 Ų3484.5 Ų84.535%0.35147%0.469SS..SBendtrans67.8-26.1176.500000115.7
352E62Low75.1Confident136 Ų13690.1 Ų90.164%0.63651%0.506SS*.SBendtrans-84.7136.6174.5-66.4-180177.700110.7F299 V350 Y354F299-E352 HydrophobicContact CE1-CG 3.78Å; F299-E352 HydrophobicContact CZ-CG 3.65Å; V350-E352 PolarHBondContact O-N 3.3Å; E352-Y354 PolarHBondContact O-N 3.38Å
353V64.3Low75.3Confident138 Ų13898 Ų9884%0.83655%0.548SS*.  trans-60.4124.9163.7179.50000106.5S355V353-S355 PolarHBondContact O-N 3.42Å
354Y65.7Low75.3Confident133 Ų133104.1 Ų104.152%0.52258%0.578SS.*  trans-49.7114.5179.3170.7-102.6000110.1Q161 E352 P356Q161-Y354 PolarHBondContact OE1-OH 2.86Å; E352-Y354 PolarHBondContact O-N 3.38Å; Y354-P356 HydrophobicContact CE1-CB 4.1Å
355S67.3Low75.5Confident99 Ų99112.2 Ų112.269%0.69261%0.614SS**  trans-103.2115.1173.4-169.90000107.5V353V353-S355 PolarHBondContact O-N 3.42Å
356P78.1Confident75.8Confident81 Ų81114.8 Ų114.853%0.52663%0.625SS.*PPolyproline II helixtrans-60.6142.8178.226.3-33.2000109.4Y354 I358Y354-P356 HydrophobicContact CE1-CB 4.1Å; P356-I358 PolarHBondContact O-N 3Å
357P77.4Confident76Confident111 Ų111121.1 Ų121.172%0.72165%0.649SS**PPolyproline II helixtrans-60133.5177.325.7-33.2000109.6
358I82.6Confident76.6Confident153 Ų153124 Ų12479%0.78567%0.665SS**PPolyproline II helixtrans-62.2137.1173.1-57.3173.3000107.1P356P356-I358 PolarHBondContact O-N 3Å
359P84.1Confident76.8Confident102 Ų102121.3 Ų121.366%0.66266%0.66SS**PPolyproline II helixtrans-54.7150.6174.524-34.7000110.7
360P84.7Confident76.8Confident114 Ų114120.8 Ų120.874%0.7467%0.673SS**PPolyproline II helixtrans-57.2146.3174.226.6-33.9000109.6
361P86.6Confident77Confident112 Ų112126.2 Ų126.273%0.72770%0.695SS**PPolyproline II helixtrans-58.1146.6174.826.4-33.6000109.3L363P361-L363 PolarHBondContact O-N 2.99Å
362P89.1Confident77Confident124 Ų124130.2 Ų130.281%0.80571%0.707SS**PPolyproline II helixtrans-51.7142.2172.3-24.733.8000110.7M364P362-M364 PolarHBondContact O-N 3.15Å
363L87.7Confident77.3Confident169 Ų169129 Ų12989%0.88571%0.709SS**PPolyproline II helixtrans-63138.6170.8-66.9173.1000108.5P361 E365P361-L363 PolarHBondContact O-N 2.99Å; L363-E365 PolarHBondContact O-N 3.02Å
364M85.4Confident78Confident165 Ų165130.8 Ų130.881%0.81371%0.708SS**PPolyproline II helixtrans-67.6133.5176.2-165.3138.760.800108.7P362P362-M364 PolarHBondContact O-N 3.15Å
365E85.7Confident78.5Confident174 Ų174127.4 Ų127.481%0.81371%0.714SS**PPolyproline II helixtrans-60.5153.8173.3-66.7178.4-177.100110.1L363 Q367L363-E365 PolarHBondContact O-N 3.02Å; E365-Q367 PolarHBondContact O-N 3Å
366Y80.7Confident79Confident193 Ų193130.9 Ų130.976%0.75772%0.723SS**PPolyproline II helixtrans-58.6125174.5-174.2-96.8000108.8N368Y366-N368 PolarHBondContact O-N 3.1Å
367Q80Confident79.3Confident153 Ų153134 Ų13472%0.71574%0.736SS**PPolyproline II helixtrans-68.2121.2175.6-69.3-178.7-9.600108E365 G369E365-Q367 PolarHBondContact O-N 3Å; Q367-G369 PolarHBondContact O-N 3.49Å
368N78.6Confident79.6Confident135 Ų135133 Ų13372%0.72273%0.729SS**  trans-53.1105174.7-74.5-10.1000109.5Y366 I372Y366-N368 PolarHBondContact O-N 3.1Å; N368-I372 HydrophobicContact CB-CD1 3.52Å; N368-I372 HydrophobicContact CB-CG1 4.46Å; N368-I372 VanDerWaalsContact CG-CD1 3.43Å
369G76.9Confident79.8Confident24 Ų24128.9 Ų128.925%0.24771%0.711CS.*  trans-73168.6175.300000111.3Q367 E371 I372Q367-G369 PolarHBondContact O-N 3.49Å; G369-E371 PolarHBondContact O-N 3.08Å; G369-I372 VanDerWaalsContact O-CG1 3.27Å; G369-I372 WeakPolarHBondContact O-CG1 3.47Å
370P67.9Low79.7Confident123 Ų123128.5 Ų128.580%0.79971%0.709SS**G310 helixtrans-64.1-2.6174.727.2-34000114I372 T373P370-I372 VanDerWaalsContact C-N 3.29Å; P370-I372 PolarHBondContact O-N 3.05Å; P370-T373 PolarHBondContact O-N 3.48Å; P370-T373 PolarHBondContact O-OG1 2.71Å
371E68.8Low79.6Confident178 Ų178130.5 Ų130.583%0.83271%0.708SS**G310 helixtrans-70.1-20.1179.8-165.9169.3-167.700113.8G369G369-E371 PolarHBondContact O-N 3.08Å
372I63.6Low79.5Confident118 Ų118130.7 Ų130.761%0.60570%0.699SS**G310 helixtrans-100.923.5178.432.7169.5000113.2N368 G369 P370 E374N368-I372 HydrophobicContact CB-CD1 3.52Å; N368-I372 HydrophobicContact CB-CG1 4.46Å; N368-I372 VanDerWaalsContact CG-CD1 3.43Å; G369-I372 VanDerWaalsContact O-CG1 3.27Å; G369-I372 WeakPolarHBondContact O-CG1 3.47Å; P370-I372 VanDerWaalsContact C-N 3.29Å; P370-I372 PolarHBondContact O-N 3.05Å; I372-E374 PolarHBondContact O-N 3.01Å
373T68.5Low79.3Confident111 Ų111131 Ų13168%0.68169%0.69SS**  trans-75.7110.9174.5-37.20000109P370 G375P370-T373 PolarHBondContact O-N 3.48Å; P370-T373 PolarHBondContact O-OG1 2.71Å; T373-G375 PolarHBondContact O-N 3.3Å
374E78Confident79.1Confident175 Ų175128.6 Ų128.682%0.81867%0.674SS**PPolyproline II helixtrans-55.9128.7172-172.7171.8-157.700109.3I372I372-E374 PolarHBondContact O-N 3.01Å
375G77Confident79.2Confident62 Ų62123 Ų12364%0.63965%0.654SS**PPolyproline II helixtrans-63.7140.3174.700000109.7T373 D377T373-G375 PolarHBondContact O-N 3.3Å; G375-D377 PolarHBondContact O-N 3.39Å
376L78.9Confident79.3Confident172 Ų172120 Ų12090%0.90164%0.643SS**PPolyproline II helixtrans-66.6134175-62.3175.4000109.2
377D83.6Confident79.6Confident146 Ų146117.6 Ų117.678%0.78164%0.637SS**PPolyproline II helixtrans-58.5139.9170.9-72.2-28.2000109.7G375G375-D377 PolarHBondContact O-N 3.39Å
378P84.1Confident80Confident91 Ų91116.5 Ų116.559%0.59163%0.631SS**PPolyproline II helixtrans-59146178.325-33.1000110.3
379T86.6Confident80.5Confident65 Ų65114.3 Ų114.340%0.39962%0.619SS.*PPolyproline II helixtrans-71.9155.4178.8580000110.9E381 E382 E383T379-E381 PolarHBondContact O-N 3.3Å; T379-E381 VanDerWaalsContact O-N 3.12Å; T379-E382 PolarHBondContact N-OE2 3.11Å; T379-E382 PolarHBondContact O-N 3.39Å; T379-E382 VanDerWaalsContact OG1-CD 3.23Å; T379-E382 VanDerWaalsContact OG1-CG 3.31Å; T379-E382 WeakPolarHBondContact OG1-CG 3.4Å; T379-E382 PolarHBondContact OG1-OE2 3.44Å; T379-E383 PolarHBondContact O-N 3.01Å; T379-E383 VanDerWaalsContact O-N 3.09Å
380P80.6Confident81Confident94 Ų94117.8 Ų117.861%0.6163%0.632SS**Hα-helixtrans-59.1-26.8178.3-22.131.7000113.5Q384P380-Q384 VanDerWaalsContact O-CG 3.26Å; P380-Q384 WeakPolarHBondContact O-CG 3.49Å; P380-Q384 PolarHBondContact O-N 3.08Å; P380-Q384 VanDerWaalsContact O-N 3.12Å
381E83.5Confident81.9Confident156 Ų156118.2 Ų118.273%0.72962%0.623SS**Hα-helixtrans-72.1-40.3177.2-64.3-179-179.200111.3T379 Q384 A385T379-E381 PolarHBondContact O-N 3.3Å; T379-E381 VanDerWaalsContact O-N 3.12Å; E381-Q384 PolarHBondContact O-N 3.16Å; E381-A385 PolarHBondContact O-N 3.43Å
382E84.6Confident82.8Confident116 Ų116116.5 Ų116.554%0.54262%0.615SS.*Hα-helixtrans-69.5-35.3176.2-70165.1151.600111.9T379 L386T379-E382 PolarHBondContact N-OE2 3.11Å; T379-E382 PolarHBondContact O-N 3.39Å; T379-E382 VanDerWaalsContact OG1-CD 3.23Å; T379-E382 VanDerWaalsContact OG1-CG 3.31Å; T379-E382 WeakPolarHBondContact OG1-CG 3.4Å; T379-E382 PolarHBondContact OG1-OE2 3.44Å; E382-L386 WeakPolarHBondContact O-CB 3.45Å; E382-L386 PolarHBondContact O-N 2.82Å
383E83.9Confident83.8Confident131 Ų131117 Ų11761%0.61262%0.615SS**Hα-helixtrans-66.7-39.2173.4-169-174.9176.400111.8T379 K387T379-E383 PolarHBondContact O-N 3.01Å; T379-E383 VanDerWaalsContact O-N 3.09Å; E383-K387 WeakPolarHBondContact O-CB 3.46Å; E383-K387 PolarHBondContact O-N 3.23Å
384Q84.4Confident84.5Confident119 Ų119117.4 Ų117.456%0.55661%0.609SS**Hα-helixtrans-64.9-46175.3-77.7172.511.700111.8P380 E381 L386 K387 E388P380-Q384 VanDerWaalsContact O-CG 3.26Å; P380-Q384 WeakPolarHBondContact O-CG 3.49Å; P380-Q384 PolarHBondContact O-N 3.08Å; P380-Q384 VanDerWaalsContact O-N 3.12Å; E381-Q384 PolarHBondContact O-N 3.16Å; Q384-L386 PolarHBondContact O-N 3.05Å; Q384-K387 WeakPolarHBondContact O-CB 3.35Å; Q384-K387 PolarHBondContact O-N 3.08Å; Q384-K387 VanDerWaalsContact O-N 3.15Å; Q384-E388 WeakPolarHBondContact O-CG 3.36Å; Q384-E388 PolarHBondContact O-N 3.19Å
385A87.5Confident84.9Confident46 Ų46111.7 Ų111.738%0.3859%0.592SS.*Hα-helixtrans-60.6-44.5176.400000111.7E381 K387 E388 D389E381-A385 PolarHBondContact O-N 3.43Å; A385-K387 PolarHBondContact O-N 3.05Å; A385-E388 PolarHBondContact O-N 3.19Å; A385-D389 WeakPolarHBondContact O-CB 3.48Å; A385-D389 PolarHBondContact O-N 3.34Å
386L87.1Confident85.3Confident112 Ų112111.4 Ų111.459%0.58658%0.583SS**Hα-helixtrans-61.2-36.3176.2-164.890.4000111.9E382 Q384 L390E382-L386 WeakPolarHBondContact O-CB 3.45Å; E382-L386 PolarHBondContact O-N 2.82Å; Q384-L386 PolarHBondContact O-N 3.05Å; L386-L390 WeakPolarHBondContact O-CB 3.07Å; L386-L390 WeakPolarHBondContact O-CG 2.97Å; L386-L390 PolarHBondContact O-N 3.19Å
387K86.7Confident85.4Confident143 Ų143108.3 Ų108.362%0.62257%0.568SS**Hα-helixtrans-71.1-41.8178.7-169.7179.9-179-172.30112E383 Q384 A385 L390 E391E383-K387 WeakPolarHBondContact O-CB 3.46Å; E383-K387 PolarHBondContact O-N 3.23Å; Q384-K387 WeakPolarHBondContact O-CB 3.35Å; Q384-K387 PolarHBondContact O-N 3.08Å; Q384-K387 VanDerWaalsContact O-N 3.15Å; A385-K387 PolarHBondContact O-N 3.05Å; K387-L390 PolarHBondContact O-N 3.31Å; K387-E391 WeakPolarHBondContact O-CB 3.44Å; K387-E391 PolarHBondContact O-N 3.11Å
388E89.1Confident85.4Confident129 Ų129106.6 Ų106.660%0.60356%0.555SS**Hα-helixtrans-63.1-44.7174.6-72.3176.4-174.600110.9Q384 A385 L390 E391 E392Q384-E388 WeakPolarHBondContact O-CG 3.36Å; Q384-E388 PolarHBondContact O-N 3.19Å; A385-E388 PolarHBondContact O-N 3.19Å; E388-L390 VanDerWaalsContact C-N 3.3Å; E388-L390 PolarHBondContact O-N 3.45Å; E388-E391 PolarHBondContact O-N 3.19Å; E388-E392 WeakPolarHBondContact O-CB 3.4Å; E388-E392 PolarHBondContact O-N 3.33Å
389D89.1Confident85.1Confident89 Ų89109.5 Ų109.548%0.47656%0.56SS.*Hα-helixtrans-60.1-39.1175.2-75.5-7.6000112A385 Q393A385-D389 WeakPolarHBondContact O-CB 3.48Å; A385-D389 PolarHBondContact O-N 3.34Å; D389-Q393 WeakPolarHBondContact O-CB 3.12Å; D389-Q393 VanDerWaalsContact O-CG 3.25Å; D389-Q393 WeakPolarHBondContact O-CG 3.39Å; D389-Q393 PolarHBondContact O-N 3.2Å
390L87.4Confident84.6Confident98 Ų98108.7 Ų108.751%0.51356%0.56SS.*Hα-helixtrans-68-39.9175.5-88.1162.7000112.3L386 K387 E388 Q393 Q394L386-L390 WeakPolarHBondContact O-CB 3.07Å; L386-L390 WeakPolarHBondContact O-CG 2.97Å; L386-L390 PolarHBondContact O-N 3.19Å; K387-L390 PolarHBondContact O-N 3.31Å; E388-L390 VanDerWaalsContact C-N 3.3Å; E388-L390 PolarHBondContact O-N 3.45Å; L390-Q393 PolarHBondContact O-N 3Å; L390-Q394 WeakPolarHBondContact O-CB 3.15Å; L390-Q394 PolarHBondContact O-N 3.45Å
391E87.6Confident84.3Confident131 Ų131110 Ų11061%0.61256%0.558SS**Hα-helixtrans-69.4-38178-169.1169.3-172.900111.2K387 E388 Q394 A395K387-E391 WeakPolarHBondContact O-CB 3.44Å; K387-E391 PolarHBondContact O-N 3.11Å; E388-E391 PolarHBondContact O-N 3.19Å; E391-Q394 PolarHBondContact O-N 2.65Å; E391-A395 WeakPolarHBondContact O-CB 3.36Å; E391-A395 PolarHBondContact O-N 2.77Å
392E86.9Confident83.6Confident142 Ų142105.6 Ų105.666%0.66455%0.548SS*.Hα-helixtrans-65.8-42.7172.6-171.5174.4-170.100111.6E388 Q394 A395 A396E388-E392 WeakPolarHBondContact O-CB 3.4Å; E388-E392 PolarHBondContact O-N 3.33Å; E392-Q394 VanDerWaalsContact C-N 3.33Å; E392-Q394 PolarHBondContact O-N 3.32Å; E392-A395 PolarHBondContact O-N 3.37Å; E392-A396 WeakPolarHBondContact O-CB 3.2Å; E392-A396 PolarHBondContact O-N 3.41Å
393Q84.1Confident82.5Confident129 Ų129103.6 Ų103.660%0.60355%0.547SS*.Hα-helixtrans-61.8-41173.4-77.3174.532.400112.1D389 L390 A396 L397D389-Q393 WeakPolarHBondContact O-CB 3.12Å; D389-Q393 VanDerWaalsContact O-CG 3.25Å; D389-Q393 WeakPolarHBondContact O-CG 3.39Å; D389-Q393 PolarHBondContact O-N 3.2Å; L390-Q393 PolarHBondContact O-N 3Å; Q393-A396 PolarHBondContact O-N 3.23Å; Q393-L397 WeakPolarHBondContact O-CB 3.2Å; Q393-L397 PolarHBondContact O-N 3.06Å
394Q84.6Confident81.3Confident119 Ų119104.7 Ų104.756%0.55655%0.552SS**Hα-helixtrans-68.3-42.5178.2-171.1178-2100111.4L390 E391 E392 A396 L397 E398L390-Q394 WeakPolarHBondContact O-CB 3.15Å; L390-Q394 PolarHBondContact O-N 3.45Å; E391-Q394 PolarHBondContact O-N 2.65Å; E392-Q394 VanDerWaalsContact C-N 3.33Å; E392-Q394 PolarHBondContact O-N 3.32Å; Q394-A396 VanDerWaalsContact C-N 3.35Å; Q394-A396 PolarHBondContact O-N 3.38Å; Q394-L397 WeakPolarHBondContact O-CB 3.35Å; Q394-L397 PolarHBondContact O-N 2.81Å; Q394-E398 PolarHBondContact NE2-OE1 3.14Å; Q394-E398 VanDerWaalsContact NE2-OE1 3.15Å; Q394-E398 WeakPolarHBondContact O-CG 3.21Å; Q394-E398 PolarHBondContact O-N 2.75Å
395A85.9Confident80.1Confident55 Ų55106 Ų10646%0.45556%0.563SS.*Hα-helixtrans-62.4-41.3174.800000111.8E391 E392 L397 E398 E399E391-A395 WeakPolarHBondContact O-CB 3.36Å; E391-A395 PolarHBondContact O-N 2.77Å; E392-A395 PolarHBondContact O-N 3.37Å; A395-L397 VanDerWaalsContact C-N 3.29Å; A395-L397 PolarHBondContact O-N 2.98Å; A395-E398 PolarHBondContact O-N 2.89Å; A395-E399 WeakPolarHBondContact O-CB 3.26Å; A395-E399 PolarHBondContact O-N 3.09Å
396A84.8Confident78.6Confident56 Ų56110.8 Ų110.846%0.46358%0.582SS.*Hα-helixtrans-64.5-34.1174.400000112.3E392 Q393 Q394 A400E392-A396 WeakPolarHBondContact O-CB 3.2Å; E392-A396 PolarHBondContact O-N 3.41Å; Q393-A396 PolarHBondContact O-N 3.23Å; Q394-A396 VanDerWaalsContact C-N 3.35Å; Q394-A396 PolarHBondContact O-N 3.38Å; A396-A400 WeakPolarHBondContact O-CB 3.02Å; A396-A400 PolarHBondContact O-N 2.78Å
397L82.4Confident77.1Confident108 Ų108113.7 Ų113.757%0.56559%0.593SS**Hα-helixtrans-69.6-44.2174.4-146100.2000111.5Q393 Q394 A395 A400 E401Q393-L397 WeakPolarHBondContact O-CB 3.2Å; Q393-L397 PolarHBondContact O-N 3.06Å; Q394-L397 WeakPolarHBondContact O-CB 3.35Å; Q394-L397 PolarHBondContact O-N 2.81Å; A395-L397 VanDerWaalsContact C-N 3.29Å; A395-L397 PolarHBondContact O-N 2.98Å; L397-A400 PolarHBondContact O-N 2.93Å; L397-E401 WeakPolarHBondContact O-CG 3.48Å; L397-E401 PolarHBondContact O-N 3.18Å
398E81.6Confident75.6Confident110 Ų110114.1 Ų114.151%0.51460%0.602SS.*Hα-helixtrans-65.5-36.8177.1-74.4178-164.500111.9Q394 A395 A402Q394-E398 PolarHBondContact NE2-OE1 3.14Å; Q394-E398 VanDerWaalsContact NE2-OE1 3.15Å; Q394-E398 WeakPolarHBondContact O-CG 3.21Å; Q394-E398 PolarHBondContact O-N 2.75Å; A395-E398 PolarHBondContact O-N 2.89Å; E398-A402 VanDerWaalsContact O-CB 3.3Å; E398-A402 WeakPolarHBondContact O-CB 3.24Å; E398-A402 PolarHBondContact O-N 3.06Å
399E77.9Confident73.7Confident151 Ų151117 Ų11771%0.70662%0.615SS**Hα-helixtrans-68.9-37.3173.6-169.4172.9-169.400111.7A395 S403A395-E399 WeakPolarHBondContact O-CB 3.26Å; A395-E399 PolarHBondContact O-N 3.09Å; E399-S403 PolarHBondContact O-N 3.25Å; E399-S403 VanDerWaalsContact O-N 3.12Å; E399-S403 PolarHBondContact O-OG 3.06Å
400A77.3Confident71.3Confident48 Ų48124.5 Ų124.540%0.39766%0.656SS.*Hα-helixtrans-65.6-45.6172.900000111.9A396 L397 A402 S403 E404A396-A400 WeakPolarHBondContact O-CB 3.02Å; A396-A400 PolarHBondContact O-N 2.78Å; L397-A400 PolarHBondContact O-N 2.93Å; A400-A402 PolarHBondContact O-N 2.75Å; A400-S403 PolarHBondContact O-N 3.02Å; A400-S403 VanDerWaalsContact O-N 3.17Å; A400-S403 PolarHBondContact O-OG 3.04Å; A400-E404 PolarHBondContact O-N 2.78Å
401E74.1Confident70.5Confident123 Ų123125.9 Ų125.958%0.57566%0.663SS**Hα-helixtrans-64-37.8176.6-74.9-175.4178.700112L397 S403 E404 D405L397-E401 WeakPolarHBondContact O-CG 3.48Å; L397-E401 PolarHBondContact O-N 3.18Å; E401-S403 VanDerWaalsContact C-N 3.29Å; E401-S403 PolarHBondContact O-N 2.74Å; E401-E404 PolarHBondContact O-N 3.48Å; E401-D405 PolarHBondContact O-N 3.06Å
402A69Low69.6Low62 Ų62125.6 Ų125.651%0.51267%0.665SS.*Hα-helixtrans-67.5-27.9174.600000113.2E398 A400E398-A402 VanDerWaalsContact O-CB 3.3Å; E398-A402 WeakPolarHBondContact O-CB 3.24Å; E398-A402 PolarHBondContact O-N 3.06Å; A400-A402 PolarHBondContact O-N 2.75Å
403S61Low68.6Low74 Ų74124.7 Ų124.752%0.51767%0.666SS.*Hα-helixtrans-80.7-18.517671.20000114.1E399 A400 E401E399-S403 PolarHBondContact O-N 3.25Å; E399-S403 VanDerWaalsContact O-N 3.12Å; E399-S403 PolarHBondContact O-OG 3.06Å; A400-S403 PolarHBondContact O-N 3.02Å; A400-S403 VanDerWaalsContact O-N 3.17Å; A400-S403 PolarHBondContact O-OG 3.04Å; E401-S403 VanDerWaalsContact C-N 3.29Å; E401-S403 PolarHBondContact O-N 2.74Å
404E59.3Low67.7Low154 Ų154124.4 Ų124.472%0.7267%0.669SS**Hα-helixtrans-84.3-18.8174.7-73-172.916800112.9A400 E401A400-E404 PolarHBondContact O-N 2.78Å; E401-E404 PolarHBondContact O-N 3.48Å
405D57.9Low66.7Low147 Ų147124.8 Ų124.879%0.78668%0.676SS**THydrogen-bonded Turntrans-88.5-3.9-178.1-128.78.6000113.8E401E401-D405 PolarHBondContact O-N 3.06Å
406D56Low65.4Low146 Ų146129.4 Ų129.478%0.78169%0.691SS**THydrogen-bonded Turntrans-101.91.6179.2-90.8-23.3000113.6
407E55.5Low64Low173 Ų173134.6 Ų134.681%0.80871%0.707SS**SBendtrans-98.27179-72.8-161.5167.100115.2
408D55.7Low62.6Low153 Ų153136.7 Ų136.782%0.81872%0.718SS**SBendtrans-12635.1-177.6-87.9-28.8000115.3
409E49.4Very low61Low189 Ų189138.9 Ų138.988%0.88374%0.735SS**  trans-145115.2157.7-72.9-164.4162.400112.9
410D38.4Very low59.4Low247 Ų247137.8 Ų137.8100%1.32174%0.738SS**  trans78.40164.4-71.4-22.7000123.1

Retrieved 410 of 410 residues in 133.4 ms (Link to these results)

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