A0A3Q0KBW7_SCHMA Loading...

mRNA-decapping enzyme 2

AlphaFold DB , UniProt , Accession A0A3Q0KBW7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 403 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
1M41.3Very low62.9Low239 Ų239125.5 Ų125.5100%1.17766%0.657SS**  0133.60-64.1163.888.400105.7A3M1-A3 PolarHBondContact O-N 3.44Å
2I39.9Very low65.5Low165 Ų165121.6 Ų121.685%0.84664%0.637SS**PPolyproline II helixtrans-69.1117.9164.7-62.2172000103.9Q4I2-Q4 PolarHBondContact O-N 2.9Å; I2-Q4 VanDerWaalsContact O-N 3.11Å
3A42.8Very low67.8Low82 Ų82121.1 Ų121.168%0.67864%0.636SS**PPolyproline II helixtrans-61116.8169.600000106M1 E5M1-A3 PolarHBondContact O-N 3.44Å; A3-E5 PolarHBondContact O-N 3.15Å
4Q42.1Very low69.7Low178 Ų178114.4 Ų114.483%0.83260%0.6SS**PPolyproline II helixtrans-62.4119.3162.8-70.7177.3-58.400104.8I2I2-Q4 PolarHBondContact O-N 2.9Å; I2-Q4 VanDerWaalsContact O-N 3.11Å
5E52.6Low71.6Confident174 Ų174107.2 Ų107.281%0.81356%0.562SS**PPolyproline II helixtrans-53.7137.6171.9-69.7-17816100107.8A3 F7A3-E5 PolarHBondContact O-N 3.15Å; E5-F7 PolarHBondContact O-N 3.43Å; E5-F7 VanDerWaalsContact O-N 3.13Å
6P52.8Low73.2Confident122 Ų122102.1 Ų102.179%0.79254%0.536SS*.PPolyproline II helixtrans-57.1124.8-175.123.4-32.8000108.8H8P6-H8 PolarHBondContact O-N 2.67Å
7F64.7Low74.6Confident154 Ų154100.5 Ų100.568%0.67553%0.525SS*.  trans-53.4115.6176.3-114.1-96.5000108.3E5 I9E5-F7 PolarHBondContact O-N 3.43Å; E5-F7 VanDerWaalsContact O-N 3.13Å; F7-I9 PolarHBondContact O-N 3.19Å; F7-I9 VanDerWaalsContact O-N 3.15Å
8H80.5Confident75.8Confident73 Ų7394.9 Ų94.934%0.33850%0.496SS..PPolyproline II helixtrans-64.1118.3176.8-171.7-64.6000108.3P6 V65 Q73P6-H8 PolarHBondContact O-N 2.67Å; H8-V65 HydrophobicContact CB-CG1 4.08Å; H8-V65 WeakPolarHBondContact O-CG1 3.29Å; H8-Q73 PolarHBondContact O-NE2 2.92Å
9I89Confident77Confident132 Ų13290.5 Ų90.568%0.67747%0.472SS*.PPolyproline II helixtrans-93.6124.8177.4-57.7179.4000107.6F7F7-I9 PolarHBondContact O-N 3.19Å; F7-I9 VanDerWaalsContact O-N 3.15Å
10V92.7Very high78Confident1 Ų187.1 Ų87.11%0.00646%0.455CS..PPolyproline II helixtrans-76.4126.7174.5-1770000108.3I14 L15 Y52 V65 L70V10-I14 HydrophobicContact CG1-CB 3.92Å; V10-I14 HydrophobicContact CG1-CG2 3.55Å; V10-L15 HydrophobicContact CB-CD1 4.49Å; V10-L15 HydrophobicContact CB-CD2 3.9Å; V10-L15 HydrophobicContact CB-CG 3.99Å; V10-L15 HydrophobicContact CG1-CD2 3.86Å; V10-L15 HydrophobicContact CG1-CG 3.87Å; V10-Y52 HydrophobicContact CG1-CD2 4.22Å; V10-Y52 HydrophobicContact CG1-CE2 3.93Å; V10-Y52 HydrophobicContact CG2-CE2 3.95Å; V10-V65 HydrophobicContact CG2-CB 4.43Å; V10-V65 HydrophobicContact CG2-CG1 4.03Å; V10-V65 HydrophobicContact CG2-CG2 3.47Å; V10-V65 VanDerWaalsContact CG2-CG2 3.47Å; V10-L70 HydrophobicContact CG2-CD1 4.03Å
11P93.3Very high78.8Confident60 Ų6086.5 Ų86.539%0.3945%0.447SS..PPolyproline II helixtrans-55.1141177.8-29.636.7000113.6N13 I14 L15P11-N13 VanDerWaalsContact C-N 3.27Å; P11-N13 VanDerWaalsContact CB-OD1 3.23Å; P11-N13 WeakPolarHBondContact CB-OD1 3.45Å; P11-N13 PolarHBondContact O-N 3.35Å; P11-I14 HydrophobicContact CB-CD1 4.15Å; P11-I14 HydrophobicContact CG-CD1 4.01Å; P11-I14 WeakPolarHBondContact O-CA 3.15Å; P11-I14 WeakPolarHBondContact O-CB 3.31Å; P11-I14 PolarHBondContact O-N 3.31Å; P11-L15 PolarHBondContact O-N 2.82Å
12D94.4Very high81.4Confident79 Ų7976.6 Ų76.642%0.42240%0.397SS..Hα-helixtrans-55.6-36.9-175.3-91-19.5000114I14 L15 L16 K77D12-I14 VanDerWaalsContact C-N 3.31Å; D12-I14 PolarHBondContact O-N 3.3Å; D12-L15 PolarHBondContact O-N 3.49Å; D12-L16 WeakPolarHBondContact O-CB 3.49Å; D12-L16 PolarHBondContact O-N 2.83Å; D12-K77 WeakPolarHBondContact OD1-CD 3.45Å; D12-K77 WeakPolarHBondContact OD1-CE 3.49Å; D12-K77 IonicContact OD1-NZ 2.71Å; D12-K77 PolarHBondContact OD1-NZ 3.48Å; D12-K77 IonicContact OD2-NZ 2.66Å; D12-K77 PolarHBondContact OD2-NZ 2.85Å
13N94.8Very high84.1Confident115 Ų11569.4 Ų69.462%0.61536%0.36SS*.Hα-helixtrans-67.2-32.4176.864.7-57.2000112.2P11 H17P11-N13 VanDerWaalsContact C-N 3.27Å; P11-N13 VanDerWaalsContact CB-OD1 3.23Å; P11-N13 WeakPolarHBondContact CB-OD1 3.45Å; P11-N13 PolarHBondContact O-N 3.35Å; N13-H17 WeakPolarHBondContact O-CB 3.39Å; N13-H17 PolarHBondContact O-N 3.36Å
14I95.4Very high86.6Confident27 Ų2766 Ų6614%0.13833%0.33CS..Hα-helixtrans-73.3-47.3173.9-69165.1000109.2V10 P11 D12 L16 H17 L18 Y52 C56V10-I14 HydrophobicContact CG1-CB 3.92Å; V10-I14 HydrophobicContact CG1-CG2 3.55Å; P11-I14 HydrophobicContact CB-CD1 4.15Å; P11-I14 HydrophobicContact CG-CD1 4.01Å; P11-I14 WeakPolarHBondContact O-CA 3.15Å; P11-I14 WeakPolarHBondContact O-CB 3.31Å; P11-I14 PolarHBondContact O-N 3.31Å; D12-I14 VanDerWaalsContact C-N 3.31Å; D12-I14 PolarHBondContact O-N 3.3Å; I14-L16 VanDerWaalsContact C-N 3.27Å; I14-L16 PolarHBondContact O-N 2.89Å; I14-H17 PolarHBondContact O-N 3.45Å; I14-H17 VanDerWaalsContact O-N 3.1Å; I14-L18 HydrophobicContact CG2-CD1 3.89Å; I14-L18 HydrophobicContact CG2-CG 4.23Å; I14-L18 VanDerWaalsContact O-CG 3.27Å; I14-L18 WeakPolarHBondContact O-CG 3.08Å; I14-L18 PolarHBondContact O-N 3.08Å; I14-Y52 HydrophobicContact CG2-CD2 3.99Å; I14-C56 HydrophobicContact CD1-CB 4.09Å; I14-C56 HydrophobicContact CG1-CB 4.36Å; I14-C56 HydrophobicContact CG2-CB 3.86Å
15L97.5Very high89Confident7 Ų757.9 Ų57.94%0.03729%0.293CS..Hα-helixtrans-55.1-42.5174.5-70.7176.3000112.1V10 P11 D12 L18 Y19 L70 Q73 L74 K77 F78V10-L15 HydrophobicContact CB-CD1 4.49Å; V10-L15 HydrophobicContact CB-CD2 3.9Å; V10-L15 HydrophobicContact CB-CG 3.99Å; V10-L15 HydrophobicContact CG1-CD2 3.86Å; V10-L15 HydrophobicContact CG1-CG 3.87Å; P11-L15 PolarHBondContact O-N 2.82Å; D12-L15 PolarHBondContact O-N 3.49Å; L15-L18 PolarHBondContact O-N 2.8Å; L15-Y19 WeakPolarHBondContact O-CB 3.41Å; L15-Y19 PolarHBondContact O-N 2.92Å; L15-L70 HydrophobicContact CD2-CD1 4.03Å; L15-Q73 HydrophobicContact CD1-CB 4.25Å; L15-Q73 HydrophobicContact CD2-CB 4.11Å; L15-L74 HydrophobicContact CB-CD2 4.44Å; L15-L74 HydrophobicContact CD2-CD2 3.85Å; L15-L74 HydrophobicContact CD2-CG 3.98Å; L15-K77 HydrophobicContact CD1-CB 4.31Å; L15-K77 HydrophobicContact CD1-CG 4.45Å; L15-F78 HydrophobicContact CB-CE2 4.26Å
16L97.1Very high90.9Very high26 Ų2650.2 Ų50.214%0.13626%0.257CS..Hα-helixtrans-65.7-41.7175.7-177.762.5000112.7D12 I14 T20 F78 C397 L398D12-L16 WeakPolarHBondContact O-CB 3.49Å; D12-L16 PolarHBondContact O-N 2.83Å; I14-L16 VanDerWaalsContact C-N 3.27Å; I14-L16 PolarHBondContact O-N 2.89Å; L16-T20 HydrophobicContact CD1-CG2 3.86Å; L16-T20 HydrophobicContact CG-CG2 4.32Å; L16-T20 WeakPolarHBondContact O-CB 3.38Å; L16-T20 WeakPolarHBondContact O-CG2 3.49Å; L16-T20 PolarHBondContact O-N 2.96Å; L16-T20 PolarHBondContact O-OG1 3.14Å; L16-F78 HydrophobicContact CB-CZ 4.16Å; L16-F78 HydrophobicContact CD1-CE1 3.96Å; L16-F78 HydrophobicContact CD1-CZ 3.84Å; L16-C397 HydrophobicContact CD1-CB 3.67Å; L16-L398 HydrophobicContact CD2-CD2 3.79Å
17H96.8Very high92.9Very high75 Ų7545.6 Ų45.635%0.34723%0.227SC..Hα-helixtrans-62.7-45.1175.2-179.4-163.9000111.3N13 I14 T20 R21 F51N13-H17 WeakPolarHBondContact O-CB 3.39Å; N13-H17 PolarHBondContact O-N 3.36Å; I14-H17 PolarHBondContact O-N 3.45Å; I14-H17 VanDerWaalsContact O-N 3.1Å; H17-T20 PolarHBondContact O-N 3.21Å; H17-T20 PolarHBondContact O-OG1 2.72Å; H17-T20 VanDerWaalsContact O-OG1 3.14Å; H17-R21 WeakPolarHBondContact O-CB 3.38Å; H17-R21 PolarHBondContact O-N 2.86Å; H17-F51 AromaticContact CE1-CE1 3.53Å; H17-F51 AromaticContact CE1-CZ 3.67Å; H17-F51 AromaticContact ND1-CE1 3.98Å
18L97.6Very high94.2Very high0 Ų042.3 Ų42.30%022%0.217CC..Hα-helixtrans-62.3-48.5177.2-66.4175.1000111.9I14 L15 R21 F22 A48 F51 Y52 L70 L74I14-L18 HydrophobicContact CG2-CD1 3.89Å; I14-L18 HydrophobicContact CG2-CG 4.23Å; I14-L18 VanDerWaalsContact O-CG 3.27Å; I14-L18 WeakPolarHBondContact O-CG 3.08Å; I14-L18 PolarHBondContact O-N 3.08Å; L15-L18 PolarHBondContact O-N 2.8Å; L18-R21 PolarHBondContact O-N 2.79Å; L18-F22 HydrophobicContact CD2-CD2 4.25Å; L18-F22 HydrophobicContact CD2-CE2 4.14Å; L18-F22 WeakPolarHBondContact O-CB 3.42Å; L18-F22 PolarHBondContact O-N 2.7Å; L18-A48 HydrophobicContact CB-CB 4.3Å; L18-A48 HydrophobicContact CD2-CB 4.21Å; L18-A48 WeakPolarHBondContact CD2-O 3.29Å; L18-F51 HydrophobicContact CD2-CB 4.4Å; L18-F51 HydrophobicContact CD2-CD1 3.73Å; L18-F51 HydrophobicContact CD2-CG 4.49Å; L18-Y52 HydrophobicContact CD1-CD2 4.46Å; L18-Y52 HydrophobicContact CD1-CG 4.45Å; L18-L70 HydrophobicContact CD1-CD1 3.89Å; L18-L70 HydrophobicContact CD1-CD2 4.22Å; L18-L74 HydrophobicContact CB-CD2 4.19Å
19Y97.7Very high94.8Very high11 Ų1144.8 Ų44.84%0.04323%0.228CC..Hα-helixtrans-58.9-50.4176.5171.2-116.1000112.1L15 R21 I23 L24 F78 I81L15-Y19 WeakPolarHBondContact O-CB 3.41Å; L15-Y19 PolarHBondContact O-N 2.92Å; Y19-R21 VanDerWaalsContact C-N 3.35Å; Y19-R21 PolarHBondContact O-N 3.29Å; Y19-I23 HydrophobicContact CD2-CB 3.79Å; Y19-I23 HydrophobicContact CD2-CD1 4.43Å; Y19-I23 HydrophobicContact CD2-CG2 3.94Å; Y19-I23 HydrophobicContact CE2-CB 4.2Å; Y19-I23 HydrophobicContact CE2-CG2 3.93Å; Y19-I23 WeakPolarHBondContact O-CA 3.21Å; Y19-I23 WeakPolarHBondContact O-CB 3.37Å; Y19-I23 PolarHBondContact O-N 2.75Å; Y19-L24 HydrophobicContact CD1-CB 4.47Å; Y19-L24 HydrophobicContact CE1-CB 4.07Å; Y19-L24 HydrophobicContact CE1-CD2 4.11Å; Y19-L24 HydrophobicContact CE1-CG 4.45Å; Y19-L24 HydrophobicContact CE2-CB 4.26Å; Y19-L24 PolarHBondContact O-N 3.38Å; Y19-F78 VanDerWaalsContact CB-CE2 3.5Å; Y19-F78 AromaticContact CD1-CD1 3.67Å; Y19-F78 HydrophobicContact CD1-CD1 3.67Å; Y19-F78 HydrophobicContact CD1-CD2 4.08Å; Y19-F78 AromaticContact CD1-CE1 3.75Å; Y19-F78 HydrophobicContact CD1-CE1 3.75Å; Y19-F78 HydrophobicContact CD1-CE2 4.15Å; Y19-F78 AromaticContact CD1-CG 3.85Å; Y19-F78 HydrophobicContact CD1-CG 3.85Å; Y19-F78 HydrophobicContact CD1-CZ 4Å; Y19-F78 HydrophobicContact CD2-CB 4.16Å; Y19-F78 HydrophobicContact CD2-CD2 4.08Å; Y19-F78 HydrophobicContact CD2-CG 4.03Å; Y19-F78 AromaticContact CE1-CD1 3.85Å; Y19-F78 HydrophobicContact CE1-CD1 3.85Å; Y19-F78 HydrophobicContact CE1-CE1 4.25Å; Y19-F78 HydrophobicContact CE1-CG 4.17Å; Y19-F78 HydrophobicContact CE2-CB 4.14Å; Y19-F78 HydrophobicContact CE2-CG 4.35Å; Y19-F78 HydrophobicContact CG-CB 4.39Å; Y19-F78 HydrophobicContact CG-CD1 4.09Å; Y19-F78 AromaticContact CG-CD2 3.65Å; Y19-F78 HydrophobicContact CG-CD2 3.65Å; Y19-F78 HydrophobicContact CG-CE1 4.31Å; Y19-F78 AromaticContact CG-CE2 3.89Å; Y19-F78 HydrophobicContact CG-CE2 3.89Å; Y19-F78 AromaticContact CG-CG 3.77Å; Y19-F78 HydrophobicContact CG-CG 3.77Å; Y19-F78 HydrophobicContact CG-CZ 4.23Å; Y19-I81 HydrophobicContact CD2-CD1 3.7Å; Y19-I81 HydrophobicContact CD2-CG1 4.02Å; Y19-I81 HydrophobicContact CE2-CD1 3.84Å; Y19-I81 HydrophobicContact CE2-CG1 3.61Å
20T96.6Very high94.9Very high21 Ų2141 Ų4113%0.12921%0.209CC..Iπ-helixtrans-67-35.4-176.952.90000112.7L16 H17 L24 N25 L394L16-T20 HydrophobicContact CD1-CG2 3.86Å; L16-T20 HydrophobicContact CG-CG2 4.32Å; L16-T20 WeakPolarHBondContact O-CB 3.38Å; L16-T20 WeakPolarHBondContact O-CG2 3.49Å; L16-T20 PolarHBondContact O-N 2.96Å; L16-T20 PolarHBondContact O-OG1 3.14Å; H17-T20 PolarHBondContact O-N 3.21Å; H17-T20 PolarHBondContact O-OG1 2.72Å; H17-T20 VanDerWaalsContact O-OG1 3.14Å; T20-L24 HydrophobicContact CG2-CD2 4.11Å; T20-N25 PolarHBondContact O-ND2 3.34Å; T20-L394 HydrophobicContact CG2-CD1 3.53Å
21R95.4Very high94.9Very high76 Ų7644.4 Ų44.429%0.28722%0.224SC..Iπ-helixtrans-79.9-42.6-178.2-175.7170.2-178.3147.4-0.2113.7H17 L18 Y19H17-R21 WeakPolarHBondContact O-CB 3.38Å; H17-R21 PolarHBondContact O-N 2.86Å; L18-R21 PolarHBondContact O-N 2.79Å; Y19-R21 VanDerWaalsContact C-N 3.35Å; Y19-R21 PolarHBondContact O-N 3.29Å
22F96.6Very high94.9Very high30 Ų3047 Ų4713%0.13223%0.231CC..Iπ-helixtrans-110.9-12.1-169-62.3-76.6000114.6L18 I26 E44 R47 A48 F51L18-F22 HydrophobicContact CD2-CD2 4.25Å; L18-F22 HydrophobicContact CD2-CE2 4.14Å; L18-F22 WeakPolarHBondContact O-CB 3.42Å; L18-F22 PolarHBondContact O-N 2.7Å; F22-I26 WeakPolarHBondContact O-CG2 3.45Å; F22-E44 VanDerWaalsContact O-CB 3.29Å; F22-E44 WeakPolarHBondContact O-CB 3.47Å; F22-R47 HydrophobicContact CD1-CB 3.8Å; F22-R47 HydrophobicContact CE1-CB 4.02Å; F22-A48 HydrophobicContact CB-CB 3.92Å; F22-A48 HydrophobicContact CD2-CB 3.75Å; F22-A48 HydrophobicContact CG-CB 3.96Å; F22-F51 HydrophobicContact CE2-CB 3.53Å; F22-F51 AromaticContact CE2-CD1 3.93Å; F22-F51 HydrophobicContact CE2-CD1 3.93Å; F22-F51 HydrophobicContact CE2-CD2 4.15Å; F22-F51 AromaticContact CE2-CG 3.58Å; F22-F51 HydrophobicContact CE2-CG 3.58Å; F22-F51 HydrophobicContact CZ-CB 3.48Å; F22-F51 VanDerWaalsContact CZ-CB 3.48Å; F22-F51 HydrophobicContact CZ-CD1 4.39Å; F22-F51 AromaticContact CZ-CD2 3.78Å; F22-F51 HydrophobicContact CZ-CD2 3.78Å; F22-F51 AromaticContact CZ-CG 3.61Å; F22-F51 HydrophobicContact CZ-CG 3.61Å
23I96.3Very high94.8Very high14 Ų1445.5 Ų45.57%0.07222%0.223CC..Iπ-helixtrans-125-47.9-173.5-56.4179.1000111.6Y19 I41 V45 L74 I81Y19-I23 HydrophobicContact CD2-CB 3.79Å; Y19-I23 HydrophobicContact CD2-CD1 4.43Å; Y19-I23 HydrophobicContact CD2-CG2 3.94Å; Y19-I23 HydrophobicContact CE2-CB 4.2Å; Y19-I23 HydrophobicContact CE2-CG2 3.93Å; Y19-I23 WeakPolarHBondContact O-CA 3.21Å; Y19-I23 WeakPolarHBondContact O-CB 3.37Å; Y19-I23 PolarHBondContact O-N 2.75Å; I23-I41 HydrophobicContact CG2-CD1 4.22Å; I23-V45 HydrophobicContact CD1-CG2 4.01Å; I23-L74 HydrophobicContact CD1-CD1 4.18Å; I23-I81 HydrophobicContact CD1-CD1 3.99Å; I23-I81 HydrophobicContact CG2-CD1 4.09Å; I23-I81 HydrophobicContact CG2-CG1 3.9Å; I23-I81 HydrophobicContact CG2-CG2 4.04Å
24L95.3Very high94.8Very high10 Ų1040.7 Ų40.75%0.05220%0.198CC..Iπ-helixtrans-70.1-48.7-176.8177.559.2000112.8Y19 T20 K31 D390 K393Y19-L24 HydrophobicContact CD1-CB 4.47Å; Y19-L24 HydrophobicContact CE1-CB 4.07Å; Y19-L24 HydrophobicContact CE1-CD2 4.11Å; Y19-L24 HydrophobicContact CE1-CG 4.45Å; Y19-L24 HydrophobicContact CE2-CB 4.26Å; Y19-L24 PolarHBondContact O-N 3.38Å; T20-L24 HydrophobicContact CG2-CD2 4.11Å; L24-K31 WeakPolarHBondContact O-CE 3.43Å; L24-D390 HydrophobicContact CD1-CB 4.15Å; L24-D390 HydrophobicContact CG-CB 4.42Å; L24-K393 HydrophobicContact CD1-CB 3.76Å; L24-K393 HydrophobicContact CD1-CD 3.61Å; L24-K393 HydrophobicContact CD1-CG 4.28Å; L24-K393 HydrophobicContact CD2-CB 4.26Å
25N92.2Very high94.6Very high9 Ų943.5 Ų43.55%0.04823%0.225CC..THydrogen-bonded Turntrans-104.626.5-169.4-59.2-50.6000113T20 F387 Q388 I389 D390T20-N25 PolarHBondContact O-ND2 3.34Å; N25-F387 HydrophobicContact CB-CD2 4.31Å; N25-F387 HydrophobicContact CB-CE1 4.35Å; N25-F387 HydrophobicContact CB-CE2 3.7Å; N25-F387 HydrophobicContact CB-CZ 3.72Å; N25-Q388 PolarHBondContact OD1-O 3.48Å; N25-I389 WeakPolarHBondContact OD1-CA 3.32Å; N25-D390 PolarHBondContact OD1-N 3.25Å
26I92.9Very high94.4Very high12 Ų1249.8 Ų49.86%0.06225%0.252CS..SBendtrans-66.9151.6171.165.4-178.2000110.8F22 L30 K31 E44F22-I26 WeakPolarHBondContact O-CG2 3.45Å; I26-L30 HydrophobicContact CB-CB 4.47Å; I26-L30 HydrophobicContact CD1-CB 4.05Å; I26-L30 HydrophobicContact CG1-CB 4.35Å; I26-K31 HydrophobicContact CD1-CG 4.11Å; I26-K31 HydrophobicContact CG1-CG 3.63Å; I26-K31 WeakPolarHBondContact O-CE 3.38Å; I26-K31 PolarHBondContact O-NZ 3.03Å; I26-E44 HydrophobicContact CD1-CG 4.38Å; I26-E44 HydrophobicContact CG2-CG 4.37Å
27P93.4Very high94.3Very high25 Ų2551.6 Ų51.616%0.16226%0.262CS..  trans-49.6147172.7-28.834.5000113.4E29 L30 K31P27-E29 VanDerWaalsContact CB-OE2 3.23Å; P27-E29 WeakPolarHBondContact CB-OE2 3.43Å; P27-E29 PolarHBondContact O-N 3.33Å; P27-L30 PolarHBondContact O-N 3.15Å; P27-K31 PolarHBondContact O-N 3.31Å
28D93.5Very high94.3Very high86 Ų8648.7 Ų48.746%0.4625%0.249SC..Hα-helixtrans-65.6-29-173.6-72.7-32.1000112.5L30 K31 E32D28-L30 VanDerWaalsContact C-N 3.3Å; D28-L30 PolarHBondContact O-N 3.06Å; D28-K31 WeakPolarHBondContact O-CB 3.36Å; D28-K31 PolarHBondContact O-N 2.76Å; D28-K31 VanDerWaalsContact O-N 3.15Å; D28-K31 WeakPolarHBondContact OD1-CD 3.36Å; D28-K31 IonicContact OD1-NZ 3.7Å; D28-K31 PolarHBondContact OD1-NZ 2.82Å; D28-E32 PolarHBondContact O-N 2.92Å
29E91.7Very high94.2Very high124 Ų12449 Ų4958%0.57925%0.25SS*.Hα-helixtrans-60-41.1172.2-54.779.9-177.400111.3P27 E32 D33P27-E29 VanDerWaalsContact CB-OE2 3.23Å; P27-E29 WeakPolarHBondContact CB-OE2 3.43Å; P27-E29 PolarHBondContact O-N 3.33Å; E29-E32 PolarHBondContact O-N 3.01Å; E29-D33 PolarHBondContact O-N 2.81Å
30L91.6Very high94Very high53 Ų5351.5 Ų51.528%0.27726%0.26SS..Hα-helixtrans-73.6-32.9175.4-63.4-175.7000112I26 P27 D28 D33 C34I26-L30 HydrophobicContact CB-CB 4.47Å; I26-L30 HydrophobicContact CD1-CB 4.05Å; I26-L30 HydrophobicContact CG1-CB 4.35Å; P27-L30 PolarHBondContact O-N 3.15Å; D28-L30 VanDerWaalsContact C-N 3.3Å; D28-L30 PolarHBondContact O-N 3.06Å; L30-D33 PolarHBondContact O-N 3.02Å; L30-C34 WeakPolarHBondContact O-CB 3.47Å; L30-C34 PolarHBondContact O-N 2.92Å; L30-C34 PolarHBondContact O-SG 3.35Å
31K92.6Very high94.1Very high73 Ų7351 Ų5132%0.31726%0.256SS..Hα-helixtrans-62.5-44.1171.5-61.2-167.5-172.485.40111L24 I26 P27 D28 C34 A35L24-K31 WeakPolarHBondContact O-CE 3.43Å; I26-K31 HydrophobicContact CD1-CG 4.11Å; I26-K31 HydrophobicContact CG1-CG 3.63Å; I26-K31 WeakPolarHBondContact O-CE 3.38Å; I26-K31 PolarHBondContact O-NZ 3.03Å; P27-K31 PolarHBondContact O-N 3.31Å; D28-K31 WeakPolarHBondContact O-CB 3.36Å; D28-K31 PolarHBondContact O-N 2.76Å; D28-K31 VanDerWaalsContact O-N 3.15Å; D28-K31 WeakPolarHBondContact OD1-CD 3.36Å; D28-K31 IonicContact OD1-NZ 3.7Å; D28-K31 PolarHBondContact OD1-NZ 2.82Å; K31-C34 PolarHBondContact O-N 3.5Å; K31-A35 WeakPolarHBondContact O-CB 3.45Å; K31-A35 PolarHBondContact O-N 2.96Å
32E93.9Very high94.2Very high113 Ų11347.4 Ų47.453%0.52824%0.243SC..Hα-helixtrans-61.3-45.2175.3-77.2-165.8-166.400112.2D28 E29 C34 A35 K36D28-E32 PolarHBondContact O-N 2.92Å; E29-E32 PolarHBondContact O-N 3.01Å; E32-C34 VanDerWaalsContact C-N 3.33Å; E32-C34 PolarHBondContact O-N 3.32Å; E32-A35 WeakPolarHBondContact O-CB 3.35Å; E32-A35 PolarHBondContact O-N 3.36Å; E32-A35 VanDerWaalsContact O-N 3.13Å; E32-K36 WeakPolarHBondContact O-CB 3.43Å; E32-K36 VanDerWaalsContact O-CG 3.24Å; E32-K36 WeakPolarHBondContact O-CG 3.46Å; E32-K36 PolarHBondContact O-N 3.48Å; E32-K36 WeakPolarHBondContact OE2-CE 3.28Å; E32-K36 IonicContact OE2-NZ 2.99Å; E32-K36 PolarHBondContact OE2-NZ 2.84Å
33D92.4Very high94.1Very high49 Ų4947.4 Ų47.426%0.26224%0.243SC..Hα-helixtrans-66.6-34.8179.2-86.410.3000112.6E29 L30 K36 N37E29-D33 PolarHBondContact O-N 2.81Å; L30-D33 PolarHBondContact O-N 3.02Å; D33-K36 IonicContact OD1-NZ 3.13Å; D33-K36 PolarHBondContact OD1-NZ 3.37Å; D33-N37 PolarHBondContact O-N 3.41Å
34C93.7Very high94.1Very high13 Ų1347.5 Ų47.59%0.08824%0.243CC..Hα-helixtrans-66.9-34.8169.6-67.40000112.7L30 K31 E32 N37 F38 I41L30-C34 WeakPolarHBondContact O-CB 3.47Å; L30-C34 PolarHBondContact O-N 2.92Å; L30-C34 PolarHBondContact O-SG 3.35Å; K31-C34 PolarHBondContact O-N 3.5Å; E32-C34 VanDerWaalsContact C-N 3.33Å; E32-C34 PolarHBondContact O-N 3.32Å; C34-N37 CarbonylContact O-C 3.53Å; C34-F38 VanDerWaalsContact O-CA 3.28Å; C34-F38 WeakPolarHBondContact O-CA 3.41Å; C34-F38 PolarHBondContact O-N 3.5Å; C34-F38 VanDerWaalsContact O-N 3.14Å; C34-I41 HydrophobicContact CB-CD1 4.25Å
35A92.2Very high94.2Very high86 Ų8647 Ų4771%0.71124%0.24SC*.Hα-helixtrans-71.9-39.3175.400000112.4K31 E32K31-A35 WeakPolarHBondContact O-CB 3.45Å; K31-A35 PolarHBondContact O-N 2.96Å; E32-A35 WeakPolarHBondContact O-CB 3.35Å; E32-A35 PolarHBondContact O-N 3.36Å; E32-A35 VanDerWaalsContact O-N 3.13Å
36K93.8Very high94.5Very high140 Ų14048 Ų4861%0.60924%0.244SC*.Hα-helixtrans-67.7-40.7174.4-67.3161-162.7156.60111.3E32 D33E32-K36 WeakPolarHBondContact O-CB 3.43Å; E32-K36 VanDerWaalsContact O-CG 3.24Å; E32-K36 WeakPolarHBondContact O-CG 3.46Å; E32-K36 PolarHBondContact O-N 3.48Å; E32-K36 WeakPolarHBondContact OE2-CE 3.28Å; E32-K36 IonicContact OE2-NZ 2.99Å; E32-K36 PolarHBondContact OE2-NZ 2.84Å; D33-K36 IonicContact OD1-NZ 3.13Å; D33-K36 PolarHBondContact OD1-NZ 3.37Å
37N93.8Very high94.6Very high63 Ų6352.2 Ų52.234%0.33726%0.26SS..  trans-144.8103.2176.2-176.63.9000111.9D33 C34 V39 R40D33-N37 PolarHBondContact O-N 3.41Å; C34-N37 CarbonylContact O-C 3.53Å; N37-V39 PolarHBondContact O-N 3.1Å; N37-V39 VanDerWaalsContact OD1-CB 3.29Å; N37-V39 WeakPolarHBondContact OD1-CB 3.41Å; N37-V39 VanDerWaalsContact OD1-CG2 3.25Å; N37-V39 WeakPolarHBondContact OD1-CG2 3.22Å; N37-V39 PolarHBondContact OD1-N 3.22Å; N37-V39 VanDerWaalsContact OD1-N 3.13Å; N37-R40 HydrophobicContact CB-CG 4.48Å; N37-R40 WeakPolarHBondContact O-CB 3.31Å; N37-R40 WeakPolarHBondContact O-CG 3.18Å; N37-R40 PolarHBondContact O-N 2.98Å
38F96.6Very high94.7Very high15 Ų1551 Ų517%0.06625%0.252CS..G310 helixtrans-56.5-20.6-179.2-170.3-107.5000114.6C34 R40 I41 F42 F75 I81 V82 P83 I86 W88 K91C34-F38 VanDerWaalsContact O-CA 3.28Å; C34-F38 WeakPolarHBondContact O-CA 3.41Å; C34-F38 PolarHBondContact O-N 3.5Å; C34-F38 VanDerWaalsContact O-N 3.14Å; F38-R40 PolarHBondContact O-N 3.05Å; F38-R40 VanDerWaalsContact O-N 3.1Å; F38-I41 HydrophobicContact CD1-CG2 4.37Å; F38-I41 HydrophobicContact CD2-CB 4.43Å; F38-I41 HydrophobicContact CD2-CG2 4.21Å; F38-I41 HydrophobicContact CE1-CG2 3.98Å; F38-I41 HydrophobicContact CE2-CB 4.15Å; F38-I41 HydrophobicContact CE2-CG1 4.4Å; F38-I41 HydrophobicContact CE2-CG2 3.77Å; F38-I41 HydrophobicContact CG-CG2 4.5Å; F38-I41 HydrophobicContact CZ-CG2 3.66Å; F38-I41 VanDerWaalsContact O-CG2 3.26Å; F38-I41 WeakPolarHBondContact O-CG2 3.49Å; F38-I41 PolarHBondContact O-N 3.4Å; F38-I41 VanDerWaalsContact O-N 3.12Å; F38-F42 HydrophobicContact CD1-CE2 4.28Å; F38-F42 HydrophobicContact CE1-CE2 4.2Å; F38-F42 HydrophobicContact CE1-CZ 4.01Å; F38-F75 HydrophobicContact CE1-CE2 4.43Å; F38-F75 HydrophobicContact CZ-CE2 4.17Å; F38-F75 HydrophobicContact CZ-CZ 4.27Å; F38-I81 WeakPolarHBondContact CE2-O 3.4Å; F38-V82 HydrophobicContact CE1-CG1 4.43Å; F38-V82 HydrophobicContact CZ-CB 4.29Å; F38-V82 HydrophobicContact CZ-CG1 4.19Å; F38-V82 HydrophobicContact CZ-CG2 4.06Å; F38-P83 VanDerWaalsContact CD2-CD 3.47Å; F38-P83 HydrophobicContact CD2-CG 4Å; F38-P83 HydrophobicContact CE2-CG 4.35Å; F38-I86 HydrophobicContact CD1-CG2 3.58Å; F38-I86 HydrophobicContact CE1-CG2 4Å; F38-I86 HydrophobicContact CG-CG2 4.1Å; F38-W88 HydrophobicContact CE1-CB 3.95Å; F38-K91 HydrophobicContact CD1-CB 4Å; F38-K91 HydrophobicContact CD1-CG 4.14Å
39V96Very high94.8Very high5 Ų547.9 Ų47.93%0.0323%0.234CC..G310 helixtrans-55-26.6171.6176.40000112.5N37 I41 K91 E94 W95N37-V39 PolarHBondContact O-N 3.1Å; N37-V39 VanDerWaalsContact OD1-CB 3.29Å; N37-V39 WeakPolarHBondContact OD1-CB 3.41Å; N37-V39 VanDerWaalsContact OD1-CG2 3.25Å; N37-V39 WeakPolarHBondContact OD1-CG2 3.22Å; N37-V39 PolarHBondContact OD1-N 3.22Å; N37-V39 VanDerWaalsContact OD1-N 3.13Å; V39-I41 VanDerWaalsContact C-N 3.33Å; V39-I41 PolarHBondContact O-N 3.37Å; V39-K91 HydrophobicContact CG2-CD 3.88Å; V39-E94 HydrophobicContact CG2-CB 4.13Å; V39-E94 VanDerWaalsContact CG2-CD 3.46Å; V39-E94 HydrophobicContact CG2-CG 3.87Å; V39-E94 WeakPolarHBondContact CG2-OE1 3.5Å; V39-W95 HydrophobicContact CG1-CB 3.85Å
40R94.7Very high94.9Very high65 Ų6547.8 Ų47.825%0.24523%0.229CC..G310 helixtrans-68.4-26.4179.3-64-59.4-171.1142.510.9113.8N37 F38 F42 F43N37-R40 HydrophobicContact CB-CG 4.48Å; N37-R40 WeakPolarHBondContact O-CB 3.31Å; N37-R40 WeakPolarHBondContact O-CG 3.18Å; N37-R40 PolarHBondContact O-N 2.98Å; F38-R40 PolarHBondContact O-N 3.05Å; F38-R40 VanDerWaalsContact O-N 3.1Å; R40-F42 PolarHBondContact O-N 3.06Å; R40-F42 VanDerWaalsContact O-N 3.14Å; R40-F43 WeakPolarHBondContact O-CD2 3.41Å; R40-F43 PolarHBondContact O-N 3.28Å
41I97Very high95Very high11 Ų1146.6 Ų46.66%0.05622%0.221CC..Hα-helixtrans-60.8-30.6-178.7-155.962.4000112.4I23 C34 F38 V39 F43 E44 V45 F75 I81I23-I41 HydrophobicContact CG2-CD1 4.22Å; C34-I41 HydrophobicContact CB-CD1 4.25Å; F38-I41 HydrophobicContact CD1-CG2 4.37Å; F38-I41 HydrophobicContact CD2-CB 4.43Å; F38-I41 HydrophobicContact CD2-CG2 4.21Å; F38-I41 HydrophobicContact CE1-CG2 3.98Å; F38-I41 HydrophobicContact CE2-CB 4.15Å; F38-I41 HydrophobicContact CE2-CG1 4.4Å; F38-I41 HydrophobicContact CE2-CG2 3.77Å; F38-I41 HydrophobicContact CG-CG2 4.5Å; F38-I41 HydrophobicContact CZ-CG2 3.66Å; F38-I41 VanDerWaalsContact O-CG2 3.26Å; F38-I41 WeakPolarHBondContact O-CG2 3.49Å; F38-I41 PolarHBondContact O-N 3.4Å; F38-I41 VanDerWaalsContact O-N 3.12Å; V39-I41 VanDerWaalsContact C-N 3.33Å; V39-I41 PolarHBondContact O-N 3.37Å; I41-F43 VanDerWaalsContact C-N 3.25Å; I41-F43 PolarHBondContact O-N 3.19Å; I41-E44 WeakPolarHBondContact O-CB 3.46Å; I41-E44 PolarHBondContact O-N 2.96Å; I41-V45 WeakPolarHBondContact O-CG2 3.36Å; I41-V45 PolarHBondContact O-N 3.08Å; I41-F75 HydrophobicContact CG2-CZ 4.12Å; I41-I81 HydrophobicContact CG1-CG2 4.02Å
42F97.8Very high95Very high0 Ų043.3 Ų43.30%021%0.207CC..Hα-helixtrans-73.1-16-174.8-61.1-73.3000113.5F38 R40 E44 E46 M67 T71 F75 W88 K91 F92 W95F38-F42 HydrophobicContact CD1-CE2 4.28Å; F38-F42 HydrophobicContact CE1-CE2 4.2Å; F38-F42 HydrophobicContact CE1-CZ 4.01Å; R40-F42 PolarHBondContact O-N 3.06Å; R40-F42 VanDerWaalsContact O-N 3.14Å; F42-E44 VanDerWaalsContact C-N 3.31Å; F42-E46 WeakPolarHBondContact O-CB 3.15Å; F42-E46 PolarHBondContact O-N 3.31Å; F42-M67 HydrophobicContact CB-CE 4.5Å; F42-M67 WeakPolarHBondContact O-CE 3.44Å; F42-T71 HydrophobicContact CD1-CG2 4.18Å; F42-T71 HydrophobicContact CE1-CG2 3.7Å; F42-F75 HydrophobicContact CD1-CZ 4.5Å; F42-F75 AromaticContact CE1-CE2 3.77Å; F42-F75 HydrophobicContact CE1-CE2 3.77Å; F42-F75 AromaticContact CE1-CZ 3.95Å; F42-F75 HydrophobicContact CE1-CZ 3.95Å; F42-F75 HydrophobicContact CZ-CE2 4.18Å; F42-W88 WeakPolarHBondContact CZ-O 3.4Å; F42-K91 VanDerWaalsContact CE2-C 3.45Å; F42-K91 HydrophobicContact CE2-CB 3.77Å; F42-K91 HydrophobicContact CZ-CB 4.22Å; F42-F92 AromaticContact CD1-CD2 3.79Å; F42-F92 HydrophobicContact CD1-CD2 3.79Å; F42-F92 HydrophobicContact CE1-CB 3.97Å; F42-F92 AromaticContact CE1-CD2 3.79Å; F42-F92 HydrophobicContact CE1-CD2 3.79Å; F42-F92 HydrophobicContact CE1-CG 4.39Å; F42-F92 HydrophobicContact CZ-CB 3.96Å; F42-W95 HydrophobicContact CB-CB 4.07Å; F42-W95 VanDerWaalsContact CB-CD1 3.47Å; F42-W95 HydrophobicContact CB-CD2 3.43Å; F42-W95 VanDerWaalsContact CB-CD2 3.43Å; F42-W95 HydrophobicContact CB-CE3 4.09Å; F42-W95 HydrophobicContact CB-CG 3.4Å; F42-W95 VanDerWaalsContact CB-CG 3.4Å; F42-W95 HydrophobicContact CB-CZ2 4.24Å; F42-W95 HydrophobicContact CD2-CB 3.72Å; F42-W95 HydrophobicContact CD2-CG 4.02Å; F42-W95 HydrophobicContact CG-CB 4.12Å; F42-W95 HydrophobicContact CG-CD2 4.19Å; F42-W95 AromaticContact CG-CG 3.98Å; F42-W95 HydrophobicContact CG-CG 3.98Å; F42-W95 WeakPolarHBondContact O-CZ2 3.26Å
43F94.9Very high94.8Very high30 Ų3039.3 Ų39.313%0.13219%0.189CC..Hα-helixtrans-68.9-35.8168.2-66.5-108000110.6R40 I41 E46 R47 W95 Y98 R99R40-F43 WeakPolarHBondContact O-CD2 3.41Å; R40-F43 PolarHBondContact O-N 3.28Å; I41-F43 VanDerWaalsContact C-N 3.25Å; I41-F43 PolarHBondContact O-N 3.19Å; F43-E46 PolarHBondContact O-N 3.36Å; F43-R47 PolarHBondContact O-N 2.95Å; F43-W95 AromaticContact CD2-CD1 3.72Å; F43-W95 AromaticContact CD2-NE1 3.45Å; F43-W95 AromaticContact CE2-CD1 3.52Å; F43-W95 AromaticContact CE2-NE1 3.58Å; F43-W95 AromaticContact CG-NE1 3.92Å; F43-Y98 HydrophobicContact CE1-CE1 4.38Å; F43-Y98 AromaticContact CZ-CD1 3.79Å; F43-Y98 HydrophobicContact CZ-CD1 3.79Å; F43-Y98 AromaticContact CZ-CE1 3.62Å; F43-Y98 HydrophobicContact CZ-CE1 3.62Å; F43-R99 VanDerWaalsContact CE1-CD 3.47Å
44E96.7Very high94.6Very high16 Ų1638.1 Ų38.18%0.07518%0.183CC..Hα-helixtrans-76.4-37.6176.3-49.3-46.6140.300112F22 I26 I41 F42 E46 R47 A48F22-E44 VanDerWaalsContact O-CB 3.29Å; F22-E44 WeakPolarHBondContact O-CB 3.47Å; I26-E44 HydrophobicContact CD1-CG 4.38Å; I26-E44 HydrophobicContact CG2-CG 4.37Å; I41-E44 WeakPolarHBondContact O-CB 3.46Å; I41-E44 PolarHBondContact O-N 2.96Å; F42-E44 VanDerWaalsContact C-N 3.31Å; E44-E46 VanDerWaalsContact C-N 3.25Å; E44-E46 PolarHBondContact O-N 2.99Å; E44-R47 PolarHBondContact O-N 3.4Å; E44-R47 IonicContact OE1-CZ 3.49Å; E44-R47 IonicContact OE1-NH1 3.58Å; E44-R47 PolarHBondContact OE1-NH1 3.11Å; E44-R47 IonicContact OE2-CZ 3.61Å; E44-R47 IonicContact OE2-NH1 2.78Å; E44-R47 PolarHBondContact OE2-NH1 2.92Å; E44-A48 PolarHBondContact O-N 3.2Å
45V97.9Very high94.4Very high0 Ų044.4 Ų44.40%021%0.205CC..Hα-helixtrans-63.8-32169.7-176.60000111.3I23 I41 A48 H49 M67 T71 L74 F75I23-V45 HydrophobicContact CD1-CG2 4.01Å; I41-V45 WeakPolarHBondContact O-CG2 3.36Å; I41-V45 PolarHBondContact O-N 3.08Å; V45-A48 CarbonylContact O-C 3.57Å; V45-A48 WeakPolarHBondContact O-CB 3.32Å; V45-A48 PolarHBondContact O-N 3.18Å; V45-H49 WeakPolarHBondContact O-CB 3.32Å; V45-H49 PolarHBondContact O-N 3Å; V45-M67 HydrophobicContact CB-CE 3.84Å; V45-M67 HydrophobicContact CG1-CE 3.7Å; V45-M67 HydrophobicContact CG1-SD 4.19Å; V45-T71 WeakPolarHBondContact CG1-OG1 3.32Å; V45-L74 HydrophobicContact CG1-CD1 4.14Å; V45-F75 HydrophobicContact CG2-CE1 3.95Å; V45-F75 HydrophobicContact CG2-CZ 4.08Å
46E96.5Very high94.3Very high29 Ų2941.4 Ų41.414%0.13618%0.179CC..Hα-helixtrans-70-41.2175.1-178.2-176.6-139.400111.4F42 F43 E44 A48 H49 W50 M67 W95 R99F42-E46 WeakPolarHBondContact O-CB 3.15Å; F42-E46 PolarHBondContact O-N 3.31Å; F43-E46 PolarHBondContact O-N 3.36Å; E44-E46 VanDerWaalsContact C-N 3.25Å; E44-E46 PolarHBondContact O-N 2.99Å; E46-A48 VanDerWaalsContact C-N 3.31Å; E46-A48 PolarHBondContact O-N 3.2Å; E46-H49 WeakPolarHBondContact O-CB 3.24Å; E46-H49 PolarHBondContact O-N 2.91Å; E46-H49 VanDerWaalsContact O-N 3.12Å; E46-W50 PolarHBondContact O-N 3.45Å; E46-M67 HydrophobicContact CB-CE 3.91Å; E46-M67 HydrophobicContact CB-SD 4.32Å; E46-W95 HydrophobicContact CB-CH2 4.23Å; E46-W95 HydrophobicContact CB-CZ2 3.86Å; E46-W95 HydrophobicContact CG-CH2 4.33Å; E46-W95 HydrophobicContact CG-CZ2 4.14Å; E46-R99 IonicContact OE1-CZ 2.69Å; E46-R99 VanDerWaalsContact OE1-CZ 3.31Å; E46-R99 IonicContact OE1-NE 3.82Å; E46-R99 PolarHBondContact OE1-NE 3.4Å; E46-R99 VanDerWaalsContact OE1-NE 3.13Å; E46-R99 IonicContact OE1-NH2 2.77Å; E46-R99 PolarHBondContact OE1-NH2 2.85Å; E46-R99 IonicContact OE2-CZ 3.61Å; E46-R99 IonicContact OE2-NE 3.96Å; E46-R99 PolarHBondContact OE2-NE 3.48Å; E46-R99 IonicContact OE2-NH1 2.8Å; E46-R99 IonicContact OE2-NH2 2.67Å; E46-R99 PolarHBondContact OE2-NH2 2.99Å
47R95Very high94Very high101 Ų10136.2 Ų36.238%0.38116%0.158SC..Hα-helixtrans-61.1-39.7169.7-69-175.4-174.796.60.3112F22 F43 E44 H49 F51F22-R47 HydrophobicContact CD1-CB 3.8Å; F22-R47 HydrophobicContact CE1-CB 4.02Å; F43-R47 PolarHBondContact O-N 2.95Å; E44-R47 PolarHBondContact O-N 3.4Å; E44-R47 IonicContact OE1-CZ 3.49Å; E44-R47 IonicContact OE1-NH1 3.58Å; E44-R47 PolarHBondContact OE1-NH1 3.11Å; E44-R47 IonicContact OE2-CZ 3.61Å; E44-R47 IonicContact OE2-NH1 2.78Å; E44-R47 PolarHBondContact OE2-NH1 2.92Å; R47-H49 VanDerWaalsContact C-N 3.33Å; R47-F51 WeakPolarHBondContact O-CB 3.44Å; R47-F51 PolarHBondContact O-N 3.01Å
48A97.4Very high93.3Very high0 Ų042.8 Ų42.80%019%0.186CC..Hα-helixtrans-64.1-36.5172.600000112.4L18 F22 E44 V45 E46 Y52L18-A48 HydrophobicContact CB-CB 4.3Å; L18-A48 HydrophobicContact CD2-CB 4.21Å; L18-A48 WeakPolarHBondContact CD2-O 3.29Å; F22-A48 HydrophobicContact CB-CB 3.92Å; F22-A48 HydrophobicContact CD2-CB 3.75Å; F22-A48 HydrophobicContact CG-CB 3.96Å; E44-A48 PolarHBondContact O-N 3.2Å; V45-A48 CarbonylContact O-C 3.57Å; V45-A48 WeakPolarHBondContact O-CB 3.32Å; V45-A48 PolarHBondContact O-N 3.18Å; E46-A48 VanDerWaalsContact C-N 3.31Å; E46-A48 PolarHBondContact O-N 3.2Å; A48-Y52 VanDerWaalsContact O-CB 3.28Å; A48-Y52 WeakPolarHBondContact O-CB 3.47Å; A48-Y52 PolarHBondContact O-N 2.85Å
49H95.4Very high92.5Very high20 Ų2045.8 Ų45.89%0.09320%0.203CC..Hα-helixtrans-68.3-44.4178-171.1-126.3000112.5V45 E46 R47 Y52 I53 V65 M67 L70V45-H49 WeakPolarHBondContact O-CB 3.32Å; V45-H49 PolarHBondContact O-N 3Å; E46-H49 WeakPolarHBondContact O-CB 3.24Å; E46-H49 PolarHBondContact O-N 2.91Å; E46-H49 VanDerWaalsContact O-N 3.12Å; R47-H49 VanDerWaalsContact C-N 3.33Å; H49-Y52 WeakPolarHBondContact O-CB 3.16Å; H49-Y52 PolarHBondContact O-N 3.28Å; H49-I53 VanDerWaalsContact CE1-CD1 3.42Å; H49-I53 WeakPolarHBondContact CE1-CD1 3.39Å; H49-I53 WeakPolarHBondContact O-CG1 3.31Å; H49-I53 PolarHBondContact O-N 2.7Å; H49-V65 PolarHBondContact NE2-O 2.88Å; H49-M67 HydrophobicContact CB-SD 3.68Å; H49-M67 PolarHBondContact CE1-N 3.5Å; H49-M67 VanDerWaalsContact CE1-N 3.32Å; H49-M67 PolarHBondContact NE2-N 2.9Å; H49-L70 VanDerWaalsContact CA-CD2 3.45Å; H49-L70 HydrophobicContact CB-CD2 3.79Å
50W92.1Very high91.4Very high121 Ų12150.3 Ų50.346%0.45823%0.232SC..Hα-helixtrans-61.9-47.1172.3-68.7122.3000111.7E46 Y52 I53 D54 Y124E46-W50 PolarHBondContact O-N 3.45Å; W50-Y52 VanDerWaalsContact C-N 3.28Å; W50-Y52 PolarHBondContact O-N 2.81Å; W50-I53 HydrophobicContact CE3-CD1 4.23Å; W50-I53 HydrophobicContact CZ3-CD1 4.28Å; W50-I53 PolarHBondContact O-N 3.04Å; W50-I53 VanDerWaalsContact O-N 3.15Å; W50-D54 WeakPolarHBondContact O-CB 3.42Å; W50-D54 PolarHBondContact O-N 3.09Å; W50-Y124 HydrophobicContact CZ3-CE2 4.42Å
51F93.8Very high90.5Very high29 Ų2952.2 Ų52.213%0.12726%0.256CS..Hα-helixtrans-60-38.5176.5-173.6-86.4000112.8H17 L18 F22 R47 Y55H17-F51 AromaticContact CE1-CE1 3.53Å; H17-F51 AromaticContact CE1-CZ 3.67Å; H17-F51 AromaticContact ND1-CE1 3.98Å; L18-F51 HydrophobicContact CD2-CB 4.4Å; L18-F51 HydrophobicContact CD2-CD1 3.73Å; L18-F51 HydrophobicContact CD2-CG 4.49Å; F22-F51 HydrophobicContact CE2-CB 3.53Å; F22-F51 AromaticContact CE2-CD1 3.93Å; F22-F51 HydrophobicContact CE2-CD1 3.93Å; F22-F51 HydrophobicContact CE2-CD2 4.15Å; F22-F51 AromaticContact CE2-CG 3.58Å; F22-F51 HydrophobicContact CE2-CG 3.58Å; F22-F51 HydrophobicContact CZ-CB 3.48Å; F22-F51 VanDerWaalsContact CZ-CB 3.48Å; F22-F51 HydrophobicContact CZ-CD1 4.39Å; F22-F51 AromaticContact CZ-CD2 3.78Å; F22-F51 HydrophobicContact CZ-CD2 3.78Å; F22-F51 AromaticContact CZ-CG 3.61Å; F22-F51 HydrophobicContact CZ-CG 3.61Å; R47-F51 WeakPolarHBondContact O-CB 3.44Å; R47-F51 PolarHBondContact O-N 3.01Å; F51-Y55 HydrophobicContact CB-CD2 4.48Å; F51-Y55 HydrophobicContact CD1-CD2 4.45Å; F51-Y55 AromaticContact CD2-CD2 3.38Å; F51-Y55 HydrophobicContact CD2-CD2 3.38Å; F51-Y55 AromaticContact CD2-CE2 3.8Å; F51-Y55 HydrophobicContact CD2-CE2 3.8Å; F51-Y55 HydrophobicContact CD2-CG 4.26Å; F51-Y55 AromaticContact CE2-CD2 3.52Å; F51-Y55 HydrophobicContact CE2-CD2 3.52Å; F51-Y55 HydrophobicContact CE2-CE2 4.04Å; F51-Y55 AromaticContact CE2-CG 3.98Å; F51-Y55 HydrophobicContact CE2-CG 3.98Å; F51-Y55 AromaticContact CG-CD2 3.89Å; F51-Y55 HydrophobicContact CG-CD2 3.89Å; F51-Y55 HydrophobicContact CZ-CD2 4.13Å; F51-Y55 HydrophobicContact CZ-CG 4.22Å; F51-Y55 WeakPolarHBondContact O-CB 3.41Å; F51-Y55 WeakPolarHBondContact O-CD2 3.49Å; F51-Y55 PolarHBondContact O-N 3.28Å
52Y93.8Very high89.5Confident3 Ų356.4 Ų56.41%0.01228%0.282CS..Hα-helixtrans-61.1-49.7174.1165.2-109.2000111.6V10 I14 L18 A48 H49 W50 D54 C56 I57 G64 V65V10-Y52 HydrophobicContact CG1-CD2 4.22Å; V10-Y52 HydrophobicContact CG1-CE2 3.93Å; V10-Y52 HydrophobicContact CG2-CE2 3.95Å; I14-Y52 HydrophobicContact CG2-CD2 3.99Å; L18-Y52 HydrophobicContact CD1-CD2 4.46Å; L18-Y52 HydrophobicContact CD1-CG 4.45Å; A48-Y52 VanDerWaalsContact O-CB 3.28Å; A48-Y52 WeakPolarHBondContact O-CB 3.47Å; A48-Y52 PolarHBondContact O-N 2.85Å; H49-Y52 WeakPolarHBondContact O-CB 3.16Å; H49-Y52 PolarHBondContact O-N 3.28Å; W50-Y52 VanDerWaalsContact C-N 3.28Å; W50-Y52 PolarHBondContact O-N 2.81Å; Y52-D54 VanDerWaalsContact C-N 3.35Å; Y52-D54 PolarHBondContact O-N 3.34Å; Y52-C56 HydrophobicContact CD2-CB 3.74Å; Y52-C56 HydrophobicContact CE2-CB 4.35Å; Y52-C56 WeakPolarHBondContact O-CA 3.46Å; Y52-C56 VanDerWaalsContact O-CB 3.32Å; Y52-C56 WeakPolarHBondContact O-CB 3.33Å; Y52-C56 PolarHBondContact O-N 3.09Å; Y52-I57 HydrophobicContact CE1-CD1 3.98Å; Y52-I57 HydrophobicContact CE1-CG1 4.16Å; Y52-I57 HydrophobicContact CE2-CG1 4.12Å; Y52-I57 PolarHBondContact O-N 2.69Å; Y52-G64 WeakPolarHBondContact OH-CA 3.42Å; Y52-V65 HydrophobicContact CD1-CG2 4.17Å; Y52-V65 HydrophobicContact CE1-CG2 3.48Å; Y52-V65 VanDerWaalsContact CE1-CG2 3.48Å; Y52-V65 PolarHBondContact OH-N 3.49Å
53I89.6Confident88.5Confident30 Ų3057.9 Ų57.915%0.15430%0.297CS..Hα-helixtrans-59.8-45.5177.4-72.5169000111.2H49 W50 I57 Y124H49-I53 VanDerWaalsContact CE1-CD1 3.42Å; H49-I53 WeakPolarHBondContact CE1-CD1 3.39Å; H49-I53 WeakPolarHBondContact O-CG1 3.31Å; H49-I53 PolarHBondContact O-N 2.7Å; W50-I53 HydrophobicContact CE3-CD1 4.23Å; W50-I53 HydrophobicContact CZ3-CD1 4.28Å; W50-I53 PolarHBondContact O-N 3.04Å; W50-I53 VanDerWaalsContact O-N 3.15Å; I53-I57 HydrophobicContact CB-CD1 4.47Å; I53-I57 HydrophobicContact CG1-CD1 4.23Å; I53-Y124 HydrophobicContact CG2-CE2 4.28Å; I53-Y124 WeakPolarHBondContact CG2-OH 3.44Å
54D87.1Confident88Confident24 Ų2458 Ų5813%0.12831%0.307CS..Hα-helixtrans-80-31-170.8-72.2-26.8000114.6W50 Y52 K195 N196W50-D54 WeakPolarHBondContact O-CB 3.42Å; W50-D54 PolarHBondContact O-N 3.09Å; Y52-D54 VanDerWaalsContact C-N 3.35Å; Y52-D54 PolarHBondContact O-N 3.34Å; D54-K195 HydrophobicContact CB-CD 4.32Å; D54-K195 PolarHBondContact O-NZ 2.81Å; D54-N196 WeakPolarHBondContact OD1-CB 3.41Å; D54-N196 PolarHBondContact OD1-ND2 3.18Å
55Y90.4Very high87.8Confident144 Ų14457.9 Ų57.957%0.56531%0.307SS*.Hα-helixtrans-130.1-7.9-168.5-55.3-79.8000114.8F51 K195F51-Y55 HydrophobicContact CB-CD2 4.48Å; F51-Y55 HydrophobicContact CD1-CD2 4.45Å; F51-Y55 AromaticContact CD2-CD2 3.38Å; F51-Y55 HydrophobicContact CD2-CD2 3.38Å; F51-Y55 AromaticContact CD2-CE2 3.8Å; F51-Y55 HydrophobicContact CD2-CE2 3.8Å; F51-Y55 HydrophobicContact CD2-CG 4.26Å; F51-Y55 AromaticContact CE2-CD2 3.52Å; F51-Y55 HydrophobicContact CE2-CD2 3.52Å; F51-Y55 HydrophobicContact CE2-CE2 4.04Å; F51-Y55 AromaticContact CE2-CG 3.98Å; F51-Y55 HydrophobicContact CE2-CG 3.98Å; F51-Y55 AromaticContact CG-CD2 3.89Å; F51-Y55 HydrophobicContact CG-CD2 3.89Å; F51-Y55 HydrophobicContact CZ-CD2 4.13Å; F51-Y55 HydrophobicContact CZ-CG 4.22Å; F51-Y55 WeakPolarHBondContact O-CB 3.41Å; F51-Y55 WeakPolarHBondContact O-CD2 3.49Å; F51-Y55 PolarHBondContact O-N 3.28Å; Y55-K195 HydrophobicContact CE1-CD 4.46Å
56C91.1Very high87.6Confident23 Ų2362.8 Ų62.816%0.15533%0.333CS..THydrogen-bonded Turntrans-119.3-13.3-176.7-58.80000114.5I14 Y52I14-C56 HydrophobicContact CD1-CB 4.09Å; I14-C56 HydrophobicContact CG1-CB 4.36Å; I14-C56 HydrophobicContact CG2-CB 3.86Å; Y52-C56 HydrophobicContact CD2-CB 3.74Å; Y52-C56 HydrophobicContact CE2-CB 4.35Å; Y52-C56 WeakPolarHBondContact O-CA 3.46Å; Y52-C56 VanDerWaalsContact O-CB 3.32Å; Y52-C56 WeakPolarHBondContact O-CB 3.33Å; Y52-C56 PolarHBondContact O-N 3.09Å
57I86.3Confident87.5Confident32 Ų3262.5 Ų62.516%0.16433%0.332CS..  trans-87.8110.3170-58.2177.4000108.5Y52 I53 D59Y52-I57 HydrophobicContact CE1-CD1 3.98Å; Y52-I57 HydrophobicContact CE1-CG1 4.16Å; Y52-I57 HydrophobicContact CE2-CG1 4.12Å; Y52-I57 PolarHBondContact O-N 2.69Å; I53-I57 HydrophobicContact CB-CD1 4.47Å; I53-I57 HydrophobicContact CG1-CD1 4.23Å; I57-D59 WeakPolarHBondContact CG2-O 3.28Å
58E79.5Confident87.6Confident201 Ų20161.4 Ų61.494%0.93933%0.33SS*.SBendtrans-73.3-38.2-179.8-64-175.5170.600112.7
59D78.5Confident87.6Confident77 Ų7761.7 Ų61.741%0.41233%0.333SS..  trans-118.1101.8174.6-177.1-8.2000110.2I57 S61 V62I57-D59 WeakPolarHBondContact CG2-O 3.28Å; D59-S61 VanDerWaalsContact CG-OG 3.23Å; D59-S61 PolarHBondContact O-N 2.82Å; D59-S61 WeakPolarHBondContact OD1-CA 3.32Å; D59-S61 VanDerWaalsContact OD1-CB 3.25Å; D59-S61 WeakPolarHBondContact OD1-CB 3.45Å; D59-S61 PolarHBondContact OD1-N 3.28Å; D59-S61 PolarHBondContact OD1-OG 3.14Å; D59-S61 PolarHBondContact OD2-OG 3.45Å; D59-V62 HydrophobicContact CB-CG2 3.99Å; D59-V62 PolarHBondContact O-N 3.49Å; D59-V62 VanDerWaalsContact O-N 3.15Å
60P74.4Confident87.6Confident100 Ų10060.7 Ų60.765%0.64933%0.329SS*.THydrogen-bonded Turntrans-58-19.8177.6-26.635.7000114.6G63P60-G63 PolarHBondContact O-N 2.78Å
61S75.4Confident87.9Confident105 Ų10555 Ų5573%0.73431%0.307SS*.THydrogen-bonded Turntrans-77.9-22.3179.878.50000113.9D59D59-S61 VanDerWaalsContact CG-OG 3.23Å; D59-S61 PolarHBondContact O-N 2.82Å; D59-S61 WeakPolarHBondContact OD1-CA 3.32Å; D59-S61 VanDerWaalsContact OD1-CB 3.25Å; D59-S61 WeakPolarHBondContact OD1-CB 3.45Å; D59-S61 PolarHBondContact OD1-N 3.28Å; D59-S61 PolarHBondContact OD1-OG 3.14Å; D59-S61 PolarHBondContact OD2-OG 3.45Å
62V75.1Confident88.2Confident100 Ų10056.3 Ų56.361%0.60631%0.314SS*.THydrogen-bonded Turntrans-71.9-24.6170.2176.60000110.9D59D59-V62 HydrophobicContact CB-CG2 3.99Å; D59-V62 PolarHBondContact O-N 3.49Å; D59-V62 VanDerWaalsContact O-N 3.15Å
63G76.7Confident88.4Confident31 Ų3157.3 Ų57.332%0.3232%0.319SS..  trans72.2175.7-172.300000112.6P60P60-G63 PolarHBondContact O-N 2.78Å
64G85.6Confident88.8Confident33 Ų3355.9 Ų55.934%0.3431%0.311SS..  trans-131-179.8175.400000111.6Y52Y52-G64 WeakPolarHBondContact OH-CA 3.42Å
65V92Very high89.3Confident12 Ų1255.1 Ų55.17%0.07331%0.307CS..  trans-63.5145.4170.5-68.20000111.5H8 V10 H49 Y52 L70H8-V65 HydrophobicContact CB-CG1 4.08Å; H8-V65 WeakPolarHBondContact O-CG1 3.29Å; V10-V65 HydrophobicContact CG2-CB 4.43Å; V10-V65 HydrophobicContact CG2-CG1 4.03Å; V10-V65 HydrophobicContact CG2-CG2 3.47Å; V10-V65 VanDerWaalsContact CG2-CG2 3.47Å; H49-V65 PolarHBondContact NE2-O 2.88Å; Y52-V65 HydrophobicContact CD1-CG2 4.17Å; Y52-V65 HydrophobicContact CE1-CG2 3.48Å; Y52-V65 VanDerWaalsContact CE1-CG2 3.48Å; Y52-V65 PolarHBondContact OH-N 3.49Å; V65-L70 HydrophobicContact CG2-CB 3.73Å; V65-L70 HydrophobicContact CG2-CD1 4.06Å; V65-L70 HydrophobicContact CG2-CG 4.47Å
66D93Very high89.6Confident103 Ų10354.1 Ų54.155%0.55131%0.307SS*.  trans-73.8172.7169.787.1-14.4000111.3F68 G69 L70D66-F68 PolarHBondContact O-N 3.06Å; D66-F68 PolarHBondContact OD1-N 3.42Å; D66-G69 PolarHBondContact O-N 3.02Å; D66-G69 VanDerWaalsContact O-N 3.14Å; D66-G69 PolarHBondContact OD1-N 3.41Å; D66-L70 PolarHBondContact O-N 2.93Å
67M95.1Very high89.9Confident24 Ų2456.6 Ų56.612%0.11832%0.315CS..Hα-helixtrans-57.1-32.8-178177.157.1-171.500112.6F42 V45 E46 H49 T71 F92 W95F42-M67 HydrophobicContact CB-CE 4.5Å; F42-M67 WeakPolarHBondContact O-CE 3.44Å; V45-M67 HydrophobicContact CB-CE 3.84Å; V45-M67 HydrophobicContact CG1-CE 3.7Å; V45-M67 HydrophobicContact CG1-SD 4.19Å; E46-M67 HydrophobicContact CB-CE 3.91Å; E46-M67 HydrophobicContact CB-SD 4.32Å; H49-M67 HydrophobicContact CB-SD 3.68Å; H49-M67 PolarHBondContact CE1-N 3.5Å; H49-M67 VanDerWaalsContact CE1-N 3.32Å; H49-M67 PolarHBondContact NE2-N 2.9Å; M67-T71 VanDerWaalsContact O-CB 3.32Å; M67-T71 WeakPolarHBondContact O-CB 3.42Å; M67-T71 PolarHBondContact O-N 3.42Å; M67-T71 VanDerWaalsContact O-N 3.15Å; M67-T71 PolarHBondContact O-OG1 3.2Å; M67-F92 HydrophobicContact CE-CE2 4.32Å; M67-F92 HydrophobicContact CG-CE2 3.93Å; M67-F92 HydrophobicContact CG-CZ 4.02Å; M67-W95 HydrophobicContact CE-CH2 3.61Å; M67-W95 HydrophobicContact CE-CZ2 4.09Å; M67-W95 HydrophobicContact CE-CZ3 3.94Å; M67-W95 HydrophobicContact CG-CH2 4.06Å; M67-W95 HydrophobicContact CG-CZ3 4.06Å; M67-W95 HydrophobicContact SD-CH2 4.45Å
68F97.2Very high90.4Very high77 Ų7755.9 Ų55.934%0.33831%0.311SS..Hα-helixtrans-75.5-43.7177.3-175.4-88000111.4D66 T71 Q72 W88 Q89 F92D66-F68 PolarHBondContact O-N 3.06Å; D66-F68 PolarHBondContact OD1-N 3.42Å; F68-T71 WeakPolarHBondContact O-CB 3.5Å; F68-T71 PolarHBondContact O-N 3.42Å; F68-Q72 WeakPolarHBondContact O-CB 3.38Å; F68-Q72 PolarHBondContact O-N 2.64Å; F68-W88 HydrophobicContact CD2-CZ3 4.21Å; F68-W88 HydrophobicContact CE1-CH2 4.22Å; F68-W88 AromaticContact CE2-CH2 3.91Å; F68-W88 HydrophobicContact CE2-CH2 3.91Å; F68-W88 AromaticContact CE2-CZ3 3.7Å; F68-W88 HydrophobicContact CE2-CZ3 3.7Å; F68-W88 AromaticContact CZ-CH2 3.71Å; F68-W88 HydrophobicContact CZ-CH2 3.71Å; F68-W88 HydrophobicContact CZ-CZ3 4.02Å; F68-Q89 HydrophobicContact CE2-CG 4.34Å; F68-Q89 HydrophobicContact CZ-CG 4.17Å; F68-F92 HydrophobicContact CB-CE1 4.21Å; F68-F92 HydrophobicContact CB-CE2 4.39Å; F68-F92 HydrophobicContact CB-CZ 3.85Å; F68-F92 AromaticContact CD2-CD1 3.79Å; F68-F92 HydrophobicContact CD2-CD1 3.79Å; F68-F92 HydrophobicContact CD2-CD2 4.38Å; F68-F92 AromaticContact CD2-CE1 3.73Å; F68-F92 HydrophobicContact CD2-CE1 3.73Å; F68-F92 HydrophobicContact CD2-CE2 4.32Å; F68-F92 HydrophobicContact CD2-CG 4.12Å; F68-F92 HydrophobicContact CD2-CZ 4.01Å; F68-F92 HydrophobicContact CE2-CD1 4.38Å; F68-F92 HydrophobicContact CG-CE1 4.47Å; F68-F92 HydrophobicContact CG-CZ 4.44Å
69G96.7Very high91.1Very high6 Ų650.6 Ų50.66%0.06229%0.294CS..Hα-helixtrans-61.8-41.8176.400000112.9D66 Q72 Q73D66-G69 PolarHBondContact O-N 3.02Å; D66-G69 VanDerWaalsContact O-N 3.14Å; D66-G69 PolarHBondContact OD1-N 3.41Å; G69-Q72 PolarHBondContact O-N 3.16Å; G69-Q73 WeakPolarHBondContact O-CG 3.4Å; G69-Q73 PolarHBondContact O-N 2.89Å
70L97.3Very high91.9Very high0 Ų051.3 Ų51.30%031%0.305CS..Hα-helixtrans-65.9-44.5173.8-173.166.7000111.6V10 L15 L18 H49 V65 D66 Q72 Q73 L74V10-L70 HydrophobicContact CG2-CD1 4.03Å; L15-L70 HydrophobicContact CD2-CD1 4.03Å; L18-L70 HydrophobicContact CD1-CD1 3.89Å; L18-L70 HydrophobicContact CD1-CD2 4.22Å; H49-L70 VanDerWaalsContact CA-CD2 3.45Å; H49-L70 HydrophobicContact CB-CD2 3.79Å; V65-L70 HydrophobicContact CG2-CB 3.73Å; V65-L70 HydrophobicContact CG2-CD1 4.06Å; V65-L70 HydrophobicContact CG2-CG 4.47Å; D66-L70 PolarHBondContact O-N 2.93Å; L70-Q72 VanDerWaalsContact C-N 3.29Å; L70-Q72 PolarHBondContact O-N 3.22Å; L70-Q73 PolarHBondContact O-N 3.18Å; L70-L74 HydrophobicContact CD1-CD1 4.33Å; L70-L74 HydrophobicContact CD1-CG 4.35Å; L70-L74 HydrophobicContact CD2-CD1 4.27Å; L70-L74 HydrophobicContact CG-CD1 3.86Å; L70-L74 HydrophobicContact CG-CG 4.32Å; L70-L74 WeakPolarHBondContact O-CB 3.22Å; L70-L74 WeakPolarHBondContact O-CG 3.25Å; L70-L74 PolarHBondContact O-N 3.18Å
71T98.3Very high92.9Very high0 Ų047.5 Ų47.50%028%0.279CS..Hα-helixtrans-54.3-48.2175.3-62.90000110.7F42 V45 M67 F68 L74 F75 W88 F92F42-T71 HydrophobicContact CD1-CG2 4.18Å; F42-T71 HydrophobicContact CE1-CG2 3.7Å; V45-T71 WeakPolarHBondContact CG1-OG1 3.32Å; M67-T71 VanDerWaalsContact O-CB 3.32Å; M67-T71 WeakPolarHBondContact O-CB 3.42Å; M67-T71 PolarHBondContact O-N 3.42Å; M67-T71 VanDerWaalsContact O-N 3.15Å; M67-T71 PolarHBondContact O-OG1 3.2Å; F68-T71 WeakPolarHBondContact O-CB 3.5Å; F68-T71 PolarHBondContact O-N 3.42Å; T71-L74 PolarHBondContact O-N 3.34Å; T71-F75 HydrophobicContact CG2-CD2 3.86Å; T71-F75 HydrophobicContact CG2-CE1 4.45Å; T71-F75 HydrophobicContact CG2-CE2 3.55Å; T71-F75 HydrophobicContact CG2-CG 4.45Å; T71-F75 HydrophobicContact CG2-CZ 3.89Å; T71-F75 WeakPolarHBondContact O-CB 3.46Å; T71-F75 VanDerWaalsContact O-CG 3.31Å; T71-F75 WeakPolarHBondContact O-CG 3.31Å; T71-F75 PolarHBondContact O-N 2.8Å; T71-W88 HydrophobicContact CG2-CE3 3.69Å; T71-W88 HydrophobicContact CG2-CH2 4.26Å; T71-W88 HydrophobicContact CG2-CZ3 3.52Å; T71-F92 HydrophobicContact CG2-CD2 4.18Å
72Q98.2Very high93.9Very high58 Ų5843.9 Ų43.927%0.27125%0.253SS..Hα-helixtrans-59.7-52.2179.2-177.1173.6-1500111.4F68 G69 L70 L74 F75 E76 W88F68-Q72 WeakPolarHBondContact O-CB 3.38Å; F68-Q72 PolarHBondContact O-N 2.64Å; G69-Q72 PolarHBondContact O-N 3.16Å; L70-Q72 VanDerWaalsContact C-N 3.29Å; L70-Q72 PolarHBondContact O-N 3.22Å; Q72-L74 PolarHBondContact O-N 3.42Å; Q72-F75 PolarHBondContact O-N 3.39Å; Q72-E76 HydrophobicContact CG-CG 4.33Å; Q72-E76 WeakPolarHBondContact CG-OE1 3.44Å; Q72-E76 PolarHBondContact NE2-OE1 2.99Å; Q72-E76 WeakPolarHBondContact O-CB 3.35Å; Q72-E76 WeakPolarHBondContact O-CG 3.5Å; Q72-E76 PolarHBondContact O-N 3.1Å; Q72-W88 HydrophobicContact CB-CH2 3.84Å; Q72-W88 HydrophobicContact CB-CZ2 4.08Å; Q72-W88 HydrophobicContact CG-CH2 4.34Å; Q72-W88 HydrophobicContact CG-CZ2 4.15Å
73Q98Very high94.9Very high24 Ų2442.1 Ų42.111%0.11224%0.244CC..Hα-helixtrans-65.3-37.4-177.5-68.6179.832.800112.5H8 L15 G69 L70 K77H8-Q73 PolarHBondContact O-NE2 2.92Å; L15-Q73 HydrophobicContact CD1-CB 4.25Å; L15-Q73 HydrophobicContact CD2-CB 4.11Å; G69-Q73 WeakPolarHBondContact O-CG 3.4Å; G69-Q73 PolarHBondContact O-N 2.89Å; L70-Q73 PolarHBondContact O-N 3.18Å; Q73-K77 VanDerWaalsContact O-CB 3.26Å; Q73-K77 WeakPolarHBondContact O-CB 3.46Å; Q73-K77 PolarHBondContact O-N 3.27Å
74L98Very high95.7Very high0 Ų051 Ų510%027%0.273CS..Hα-helixtrans-63.3-44.6173.5-78.1169.6000112.2L15 L18 I23 V45 L70 T71 Q72 K77 F78L15-L74 HydrophobicContact CB-CD2 4.44Å; L15-L74 HydrophobicContact CD2-CD2 3.85Å; L15-L74 HydrophobicContact CD2-CG 3.98Å; L18-L74 HydrophobicContact CB-CD2 4.19Å; I23-L74 HydrophobicContact CD1-CD1 4.18Å; V45-L74 HydrophobicContact CG1-CD1 4.14Å; L70-L74 HydrophobicContact CD1-CD1 4.33Å; L70-L74 HydrophobicContact CD1-CG 4.35Å; L70-L74 HydrophobicContact CD2-CD1 4.27Å; L70-L74 HydrophobicContact CG-CD1 3.86Å; L70-L74 HydrophobicContact CG-CG 4.32Å; L70-L74 WeakPolarHBondContact O-CB 3.22Å; L70-L74 WeakPolarHBondContact O-CG 3.25Å; L70-L74 PolarHBondContact O-N 3.18Å; T71-L74 PolarHBondContact O-N 3.34Å; Q72-L74 PolarHBondContact O-N 3.42Å; L74-K77 PolarHBondContact O-N 3.03Å; L74-F78 HydrophobicContact CD2-CD2 4.44Å; L74-F78 HydrophobicContact CD2-CE2 4.47Å; L74-F78 WeakPolarHBondContact O-CD2 3.49Å; L74-F78 PolarHBondContact O-N 3.21Å
75F97.8Very high96.2Very high8 Ų853.6 Ų53.64%0.03530%0.3CS..Hα-helixtrans-77.8-27.7-176.4-66.70.9000112.6F38 I41 F42 V45 T71 Q72 F78 P79 I81 V82 W88F38-F75 HydrophobicContact CE1-CE2 4.43Å; F38-F75 HydrophobicContact CZ-CE2 4.17Å; F38-F75 HydrophobicContact CZ-CZ 4.27Å; I41-F75 HydrophobicContact CG2-CZ 4.12Å; F42-F75 HydrophobicContact CD1-CZ 4.5Å; F42-F75 AromaticContact CE1-CE2 3.77Å; F42-F75 HydrophobicContact CE1-CE2 3.77Å; F42-F75 AromaticContact CE1-CZ 3.95Å; F42-F75 HydrophobicContact CE1-CZ 3.95Å; F42-F75 HydrophobicContact CZ-CE2 4.18Å; V45-F75 HydrophobicContact CG2-CE1 3.95Å; V45-F75 HydrophobicContact CG2-CZ 4.08Å; T71-F75 HydrophobicContact CG2-CD2 3.86Å; T71-F75 HydrophobicContact CG2-CE1 4.45Å; T71-F75 HydrophobicContact CG2-CE2 3.55Å; T71-F75 HydrophobicContact CG2-CG 4.45Å; T71-F75 HydrophobicContact CG2-CZ 3.89Å; T71-F75 WeakPolarHBondContact O-CB 3.46Å; T71-F75 VanDerWaalsContact O-CG 3.31Å; T71-F75 WeakPolarHBondContact O-CG 3.31Å; T71-F75 PolarHBondContact O-N 2.8Å; Q72-F75 PolarHBondContact O-N 3.39Å; F75-F78 CarbonylContact O-C 3.51Å; F75-P79 WeakPolarHBondContact O-CA 3.43Å; F75-I81 HydrophobicContact CD1-CB 4.14Å; F75-I81 HydrophobicContact CD1-CD1 3.78Å; F75-I81 HydrophobicContact CD1-CG2 3.96Å; F75-I81 HydrophobicContact CE1-CB 4.26Å; F75-I81 HydrophobicContact CE1-CD1 4.12Å; F75-I81 HydrophobicContact CE1-CG2 3.55Å; F75-I81 HydrophobicContact CZ-CG2 4.16Å; F75-V82 HydrophobicContact CB-CG2 4Å; F75-V82 HydrophobicContact CD1-CG2 4.42Å; F75-V82 HydrophobicContact CD2-CG2 3.49Å; F75-V82 VanDerWaalsContact CD2-CG2 3.49Å; F75-V82 HydrophobicContact CE2-CG2 4.01Å; F75-V82 HydrophobicContact CG-CG2 3.73Å; F75-W88 HydrophobicContact CD2-CB 3.93Å; F75-W88 AromaticContact CD2-CD1 3.96Å; F75-W88 AromaticContact CD2-CD2 3.66Å; F75-W88 HydrophobicContact CD2-CD2 3.66Å; F75-W88 HydrophobicContact CD2-CE3 4.07Å; F75-W88 AromaticContact CD2-CG 3.6Å; F75-W88 HydrophobicContact CD2-CG 3.6Å; F75-W88 HydrophobicContact CE2-CB 3.89Å; F75-W88 HydrophobicContact CE2-CD2 4.12Å; F75-W88 HydrophobicContact CE2-CE3 4.2Å; F75-W88 HydrophobicContact CE2-CG 4.02Å
76E96.8Very high96.4Very high123 Ų12356 Ų5658%0.57531%0.312SS*.Hα-helixtrans-69.6-41.7169-74.3173.5-177.400111.5Q72Q72-E76 HydrophobicContact CG-CG 4.33Å; Q72-E76 WeakPolarHBondContact CG-OE1 3.44Å; Q72-E76 PolarHBondContact NE2-OE1 2.99Å; Q72-E76 WeakPolarHBondContact O-CB 3.35Å; Q72-E76 WeakPolarHBondContact O-CG 3.5Å; Q72-E76 PolarHBondContact O-N 3.1Å
77K97.1Very high96.6Very high75 Ų7554.1 Ų54.133%0.32630%0.302SS..Hα-helixtrans-73.2-34.8178.6-168.768.3179.2-166.90113.1D12 L15 Q73 L74D12-K77 WeakPolarHBondContact OD1-CD 3.45Å; D12-K77 WeakPolarHBondContact OD1-CE 3.49Å; D12-K77 IonicContact OD1-NZ 2.71Å; D12-K77 PolarHBondContact OD1-NZ 3.48Å; D12-K77 IonicContact OD2-NZ 2.66Å; D12-K77 PolarHBondContact OD2-NZ 2.85Å; L15-K77 HydrophobicContact CD1-CB 4.31Å; L15-K77 HydrophobicContact CD1-CG 4.45Å; Q73-K77 VanDerWaalsContact O-CB 3.26Å; Q73-K77 WeakPolarHBondContact O-CB 3.46Å; Q73-K77 PolarHBondContact O-N 3.27Å; L74-K77 PolarHBondContact O-N 3.03Å
78F97.2Very high96.7Very high16 Ų1654.3 Ų54.37%0.0730%0.301CS..  trans-126.974.3-178.7-52.6-73.6000111.6L15 L16 Y19 L74 F75 S80 I81 C397L15-F78 HydrophobicContact CB-CE2 4.26Å; L16-F78 HydrophobicContact CB-CZ 4.16Å; L16-F78 HydrophobicContact CD1-CE1 3.96Å; L16-F78 HydrophobicContact CD1-CZ 3.84Å; Y19-F78 VanDerWaalsContact CB-CE2 3.5Å; Y19-F78 AromaticContact CD1-CD1 3.67Å; Y19-F78 HydrophobicContact CD1-CD1 3.67Å; Y19-F78 HydrophobicContact CD1-CD2 4.08Å; Y19-F78 AromaticContact CD1-CE1 3.75Å; Y19-F78 HydrophobicContact CD1-CE1 3.75Å; Y19-F78 HydrophobicContact CD1-CE2 4.15Å; Y19-F78 AromaticContact CD1-CG 3.85Å; Y19-F78 HydrophobicContact CD1-CG 3.85Å; Y19-F78 HydrophobicContact CD1-CZ 4Å; Y19-F78 HydrophobicContact CD2-CB 4.16Å; Y19-F78 HydrophobicContact CD2-CD2 4.08Å; Y19-F78 HydrophobicContact CD2-CG 4.03Å; Y19-F78 AromaticContact CE1-CD1 3.85Å; Y19-F78 HydrophobicContact CE1-CD1 3.85Å; Y19-F78 HydrophobicContact CE1-CE1 4.25Å; Y19-F78 HydrophobicContact CE1-CG 4.17Å; Y19-F78 HydrophobicContact CE2-CB 4.14Å; Y19-F78 HydrophobicContact CE2-CG 4.35Å; Y19-F78 HydrophobicContact CG-CB 4.39Å; Y19-F78 HydrophobicContact CG-CD1 4.09Å; Y19-F78 AromaticContact CG-CD2 3.65Å; Y19-F78 HydrophobicContact CG-CD2 3.65Å; Y19-F78 HydrophobicContact CG-CE1 4.31Å; Y19-F78 AromaticContact CG-CE2 3.89Å; Y19-F78 HydrophobicContact CG-CE2 3.89Å; Y19-F78 AromaticContact CG-CG 3.77Å; Y19-F78 HydrophobicContact CG-CG 3.77Å; Y19-F78 HydrophobicContact CG-CZ 4.23Å; L74-F78 HydrophobicContact CD2-CD2 4.44Å; L74-F78 HydrophobicContact CD2-CE2 4.47Å; L74-F78 WeakPolarHBondContact O-CD2 3.49Å; L74-F78 PolarHBondContact O-N 3.21Å; F75-F78 CarbonylContact O-C 3.51Å; F78-S80 PolarHBondContact O-N 2.89Å; F78-I81 HydrophobicContact CB-CD1 3.71Å; F78-I81 HydrophobicContact CB-CG1 4.07Å; F78-I81 VanDerWaalsContact O-CG1 3.3Å; F78-I81 WeakPolarHBondContact O-CG1 3.39Å; F78-I81 PolarHBondContact O-N 2.98Å; F78-I81 VanDerWaalsContact O-N 3.11Å; F78-C397 HydrophobicContact CE1-CB 4.33Å
79P95.7Very high96.8Very high90 Ų9054.6 Ų54.658%0.58430%0.304SS*.G310 helixtrans-60.9-18.5-175.1-25.835.9000115F75 I81 V82F75-P79 WeakPolarHBondContact O-CA 3.43Å; P79-I81 PolarHBondContact O-N 2.54Å; P79-V82 PolarHBondContact O-N 2.8Å
80S94.2Very high96.8Very high93 Ų9360.5 Ų60.565%0.6533%0.329SS*.G310 helixtrans-66.3-14.8176.856.50000114.2F78 V82F78-S80 PolarHBondContact O-N 2.89Å; S80-V82 VanDerWaalsContact C-N 3.35Å
81I95.7Very high96.9Very high19 Ų1963 Ų6310%0.09734%0.34CS..G310 helixtrans-65.7-39.4174.4-58.8165.9000110.8Y19 I23 F38 I41 F75 F78 P79 P83Y19-I81 HydrophobicContact CD2-CD1 3.7Å; Y19-I81 HydrophobicContact CD2-CG1 4.02Å; Y19-I81 HydrophobicContact CE2-CD1 3.84Å; Y19-I81 HydrophobicContact CE2-CG1 3.61Å; I23-I81 HydrophobicContact CD1-CD1 3.99Å; I23-I81 HydrophobicContact CG2-CD1 4.09Å; I23-I81 HydrophobicContact CG2-CG1 3.9Å; I23-I81 HydrophobicContact CG2-CG2 4.04Å; F38-I81 WeakPolarHBondContact CE2-O 3.4Å; I41-I81 HydrophobicContact CG1-CG2 4.02Å; F75-I81 HydrophobicContact CD1-CB 4.14Å; F75-I81 HydrophobicContact CD1-CD1 3.78Å; F75-I81 HydrophobicContact CD1-CG2 3.96Å; F75-I81 HydrophobicContact CE1-CB 4.26Å; F75-I81 HydrophobicContact CE1-CD1 4.12Å; F75-I81 HydrophobicContact CE1-CG2 3.55Å; F75-I81 HydrophobicContact CZ-CG2 4.16Å; F78-I81 HydrophobicContact CB-CD1 3.71Å; F78-I81 HydrophobicContact CB-CG1 4.07Å; F78-I81 VanDerWaalsContact O-CG1 3.3Å; F78-I81 WeakPolarHBondContact O-CG1 3.39Å; F78-I81 PolarHBondContact O-N 2.98Å; F78-I81 VanDerWaalsContact O-N 3.11Å; P79-I81 PolarHBondContact O-N 2.54Å; I81-P83 WeakPolarHBondContact O-CD 3.49Å
82V96.5Very high96.9Very high29 Ų2963.6 Ų63.618%0.17634%0.343CS..SBendtrans-92.6117.5-173-172.40000110F38 F75 P79 S80 I86 W88F38-V82 HydrophobicContact CE1-CG1 4.43Å; F38-V82 HydrophobicContact CZ-CB 4.29Å; F38-V82 HydrophobicContact CZ-CG1 4.19Å; F38-V82 HydrophobicContact CZ-CG2 4.06Å; F75-V82 HydrophobicContact CB-CG2 4Å; F75-V82 HydrophobicContact CD1-CG2 4.42Å; F75-V82 HydrophobicContact CD2-CG2 3.49Å; F75-V82 VanDerWaalsContact CD2-CG2 3.49Å; F75-V82 HydrophobicContact CE2-CG2 4.01Å; F75-V82 HydrophobicContact CG-CG2 3.73Å; P79-V82 PolarHBondContact O-N 2.8Å; S80-V82 VanDerWaalsContact C-N 3.35Å; V82-I86 HydrophobicContact CG1-CB 4.09Å; V82-I86 HydrophobicContact CG1-CG2 4.3Å; V82-W88 HydrophobicContact CG1-CB 4.1Å; V82-W88 HydrophobicContact CG2-CB 4.21Å; V82-W88 HydrophobicContact CG2-CG 4.38Å
83P95Very high96.8Very high64 Ų6465.5 Ų65.542%0.41636%0.358SS..PPolyproline II helixtrans-61.9145.9177.6-21.732.5000112.1F38 I81 G85 I86F38-P83 VanDerWaalsContact CD2-CD 3.47Å; F38-P83 HydrophobicContact CD2-CG 4Å; F38-P83 HydrophobicContact CE2-CG 4.35Å; I81-P83 WeakPolarHBondContact O-CD 3.49Å; P83-G85 PolarHBondContact O-N 2.79Å; P83-I86 HydrophobicContact CB-CG1 3.85Å; P83-I86 HydrophobicContact CG-CG1 4.22Å; P83-I86 WeakPolarHBondContact O-CB 3.25Å; P83-I86 WeakPolarHBondContact O-CG1 3.23Å; P83-I86 PolarHBondContact O-N 3.01Å
84K94.8Very high96.8Very high218 Ų21868.5 Ų68.595%0.94837%0.372SS*.THydrogen-bonded Turntrans-55.6128.9-179-69.4-176.9179.4178.10111.2
85G95.1Very high96.7Very high87 Ų8769.2 Ų69.290%0.89738%0.375SS*.THydrogen-bonded Turntrans86.4-4.2-179.800000115.2P83P83-G85 PolarHBondContact O-N 2.79Å
86I96.4Very high96.5Very high62 Ų6275.5 Ų75.532%0.31840%0.402SS..  trans-82.2122.7174.2-60.8-62.6000110.5F38 V82 P83 W88 K91F38-I86 HydrophobicContact CD1-CG2 3.58Å; F38-I86 HydrophobicContact CE1-CG2 4Å; F38-I86 HydrophobicContact CG-CG2 4.1Å; V82-I86 HydrophobicContact CG1-CB 4.09Å; V82-I86 HydrophobicContact CG1-CG2 4.3Å; P83-I86 HydrophobicContact CB-CG1 3.85Å; P83-I86 HydrophobicContact CG-CG1 4.22Å; P83-I86 WeakPolarHBondContact O-CB 3.25Å; P83-I86 WeakPolarHBondContact O-CG1 3.23Å; P83-I86 PolarHBondContact O-N 3.01Å; I86-W88 PolarHBondContact O-N 3.41Å; I86-K91 HydrophobicContact CG2-CG 3.98Å
87N97.6Very high96.4Very high64 Ų6477.7 Ų77.734%0.34241%0.41SS..  trans-77.5101.2163.6-176.1-23.9000108.7Q89 E90 K91N87-Q89 VanDerWaalsContact C-N 3.3Å; N87-Q89 PolarHBondContact O-N 2.88Å; N87-Q89 WeakPolarHBondContact OD1-CB 3.33Å; N87-Q89 PolarHBondContact OD1-N 3.46Å; N87-Q89 VanDerWaalsContact OD1-N 3.08Å; N87-Q89 PolarHBondContact OD1-OE1 3.09Å; N87-E90 HydrophobicContact CB-CB 4.14Å; N87-E90 HydrophobicContact CB-CG 4.18Å; N87-E90 WeakPolarHBondContact ND2-CG 3.38Å; N87-E90 PolarHBondContact ND2-OE1 2.93Å; N87-E90 PolarHBondContact O-N 2.86Å; N87-E90 PolarHBondContact OD1-N 2.69Å; N87-E90 VanDerWaalsContact OD1-N 3.11Å; N87-K91 PolarHBondContact O-N 3.05Å
88W97.8Very high96.1Very high28 Ų2879.3 Ų79.311%0.10642%0.415CS..Hα-helixtrans-68.9-29-177.271.8-104.7000112.5F38 F42 F68 T71 Q72 F75 V82 I86 K91 F92F38-W88 HydrophobicContact CE1-CB 3.95Å; F42-W88 WeakPolarHBondContact CZ-O 3.4Å; F68-W88 HydrophobicContact CD2-CZ3 4.21Å; F68-W88 HydrophobicContact CE1-CH2 4.22Å; F68-W88 AromaticContact CE2-CH2 3.91Å; F68-W88 HydrophobicContact CE2-CH2 3.91Å; F68-W88 AromaticContact CE2-CZ3 3.7Å; F68-W88 HydrophobicContact CE2-CZ3 3.7Å; F68-W88 AromaticContact CZ-CH2 3.71Å; F68-W88 HydrophobicContact CZ-CH2 3.71Å; F68-W88 HydrophobicContact CZ-CZ3 4.02Å; T71-W88 HydrophobicContact CG2-CE3 3.69Å; T71-W88 HydrophobicContact CG2-CH2 4.26Å; T71-W88 HydrophobicContact CG2-CZ3 3.52Å; Q72-W88 HydrophobicContact CB-CH2 3.84Å; Q72-W88 HydrophobicContact CB-CZ2 4.08Å; Q72-W88 HydrophobicContact CG-CH2 4.34Å; Q72-W88 HydrophobicContact CG-CZ2 4.15Å; F75-W88 HydrophobicContact CD2-CB 3.93Å; F75-W88 AromaticContact CD2-CD1 3.96Å; F75-W88 AromaticContact CD2-CD2 3.66Å; F75-W88 HydrophobicContact CD2-CD2 3.66Å; F75-W88 HydrophobicContact CD2-CE3 4.07Å; F75-W88 AromaticContact CD2-CG 3.6Å; F75-W88 HydrophobicContact CD2-CG 3.6Å; F75-W88 HydrophobicContact CE2-CB 3.89Å; F75-W88 HydrophobicContact CE2-CD2 4.12Å; F75-W88 HydrophobicContact CE2-CE3 4.2Å; F75-W88 HydrophobicContact CE2-CG 4.02Å; V82-W88 HydrophobicContact CG1-CB 4.1Å; V82-W88 HydrophobicContact CG2-CB 4.21Å; V82-W88 HydrophobicContact CG2-CG 4.38Å; I86-W88 PolarHBondContact O-N 3.41Å; W88-K91 CarbonylContact O-C 3.21Å; W88-K91 PolarHBondContact O-N 3Å; W88-F92 HydrophobicContact CE3-CB 4.47Å; W88-F92 WeakPolarHBondContact O-CB 3.4Å; W88-F92 PolarHBondContact O-N 3.11Å
89Q98.2Very high95.7Very high83 Ų8380.5 Ų80.539%0.38842%0.419SS..Hα-helixtrans-67-40.4177.7-64.186.7-2000111.4F68 N87 F92 V93F68-Q89 HydrophobicContact CE2-CG 4.34Å; F68-Q89 HydrophobicContact CZ-CG 4.17Å; N87-Q89 VanDerWaalsContact C-N 3.3Å; N87-Q89 PolarHBondContact O-N 2.88Å; N87-Q89 WeakPolarHBondContact OD1-CB 3.33Å; N87-Q89 PolarHBondContact OD1-N 3.46Å; N87-Q89 VanDerWaalsContact OD1-N 3.08Å; N87-Q89 PolarHBondContact OD1-OE1 3.09Å; Q89-F92 WeakPolarHBondContact O-CB 3.44Å; Q89-F92 PolarHBondContact O-N 3.06Å; Q89-V93 WeakPolarHBondContact O-CG2 3.36Å; Q89-V93 PolarHBondContact O-N 3.05Å; Q89-V93 VanDerWaalsContact O-N 3.15Å
90E98Very high95.4Very high129 Ų12978.5 Ų78.560%0.60341%0.414SS*.Hα-helixtrans-62.1-44171.4-77170.4-151.700111.2N87 F92 V93 E94N87-E90 HydrophobicContact CB-CB 4.14Å; N87-E90 HydrophobicContact CB-CG 4.18Å; N87-E90 WeakPolarHBondContact ND2-CG 3.38Å; N87-E90 PolarHBondContact ND2-OE1 2.93Å; N87-E90 PolarHBondContact O-N 2.86Å; N87-E90 PolarHBondContact OD1-N 2.69Å; N87-E90 VanDerWaalsContact OD1-N 3.11Å; E90-F92 VanDerWaalsContact C-N 3.32Å; E90-F92 PolarHBondContact O-N 3.37Å; E90-V93 WeakPolarHBondContact O-CB 3.34Å; E90-V93 PolarHBondContact O-N 3.38Å; E90-V93 VanDerWaalsContact O-N 3.16Å; E90-E94 PolarHBondContact O-N 2.84Å
91K97.8Very high95.3Very high54 Ų5477.3 Ų77.324%0.23541%0.406CS..Hα-helixtrans-67.8-28.8177.5-66.1-59.4-170.31760113.5F38 V39 F42 I86 N87 W88 E94 W95F38-K91 HydrophobicContact CD1-CB 4Å; F38-K91 HydrophobicContact CD1-CG 4.14Å; V39-K91 HydrophobicContact CG2-CD 3.88Å; F42-K91 VanDerWaalsContact CE2-C 3.45Å; F42-K91 HydrophobicContact CE2-CB 3.77Å; F42-K91 HydrophobicContact CZ-CB 4.22Å; I86-K91 HydrophobicContact CG2-CG 3.98Å; N87-K91 PolarHBondContact O-N 3.05Å; W88-K91 CarbonylContact O-C 3.21Å; W88-K91 PolarHBondContact O-N 3Å; K91-E94 WeakPolarHBondContact CD-OE2 3.33Å; K91-E94 WeakPolarHBondContact CE-OE2 3.28Å; K91-E94 IonicContact NZ-OE1 2.79Å; K91-E94 IonicContact NZ-OE2 3.37Å; K91-E94 PolarHBondContact NZ-OE2 3.17Å; K91-E94 PolarHBondContact O-N 2.97Å; K91-W95 WeakPolarHBondContact O-CB 3.24Å; K91-W95 PolarHBondContact O-N 3.49Å
92F98.3Very high95.2Very high11 Ų1177.1 Ų77.15%0.04841%0.406CS..Hα-helixtrans-66.3-39.7170.1-175.5-83.3000111.6F42 M67 F68 T71 W88 Q89 E90 W95 K96F42-F92 AromaticContact CD1-CD2 3.79Å; F42-F92 HydrophobicContact CD1-CD2 3.79Å; F42-F92 HydrophobicContact CE1-CB 3.97Å; F42-F92 AromaticContact CE1-CD2 3.79Å; F42-F92 HydrophobicContact CE1-CD2 3.79Å; F42-F92 HydrophobicContact CE1-CG 4.39Å; F42-F92 HydrophobicContact CZ-CB 3.96Å; M67-F92 HydrophobicContact CE-CE2 4.32Å; M67-F92 HydrophobicContact CG-CE2 3.93Å; M67-F92 HydrophobicContact CG-CZ 4.02Å; F68-F92 HydrophobicContact CB-CE1 4.21Å; F68-F92 HydrophobicContact CB-CE2 4.39Å; F68-F92 HydrophobicContact CB-CZ 3.85Å; F68-F92 AromaticContact CD2-CD1 3.79Å; F68-F92 HydrophobicContact CD2-CD1 3.79Å; F68-F92 HydrophobicContact CD2-CD2 4.38Å; F68-F92 AromaticContact CD2-CE1 3.73Å; F68-F92 HydrophobicContact CD2-CE1 3.73Å; F68-F92 HydrophobicContact CD2-CE2 4.32Å; F68-F92 HydrophobicContact CD2-CG 4.12Å; F68-F92 HydrophobicContact CD2-CZ 4.01Å; F68-F92 HydrophobicContact CE2-CD1 4.38Å; F68-F92 HydrophobicContact CG-CE1 4.47Å; F68-F92 HydrophobicContact CG-CZ 4.44Å; T71-F92 HydrophobicContact CG2-CD2 4.18Å; W88-F92 HydrophobicContact CE3-CB 4.47Å; W88-F92 WeakPolarHBondContact O-CB 3.4Å; W88-F92 PolarHBondContact O-N 3.11Å; Q89-F92 WeakPolarHBondContact O-CB 3.44Å; Q89-F92 PolarHBondContact O-N 3.06Å; E90-F92 VanDerWaalsContact C-N 3.32Å; E90-F92 PolarHBondContact O-N 3.37Å; F92-W95 HydrophobicContact CD2-CE3 4.45Å; F92-W95 HydrophobicContact CE2-CE3 4.35Å; F92-W95 HydrophobicContact CE2-CZ3 4.17Å; F92-W95 HydrophobicContact CZ-CZ3 4.24Å; F92-W95 PolarHBondContact O-N 3.08Å; F92-K96 HydrophobicContact CE1-CD 4.26Å; F92-K96 VanDerWaalsContact O-CB 3.28Å; F92-K96 WeakPolarHBondContact O-CB 3.45Å; F92-K96 PolarHBondContact O-N 3.14Å
93V97.6Very high95.2Very high99 Ų9976.8 Ų76.860%0.641%0.406SS*.Hα-helixtrans-66.6-40.7174.4174.70000111.2Q89 E90 K96 K97Q89-V93 WeakPolarHBondContact O-CG2 3.36Å; Q89-V93 PolarHBondContact O-N 3.05Å; Q89-V93 VanDerWaalsContact O-N 3.15Å; E90-V93 WeakPolarHBondContact O-CB 3.34Å; E90-V93 PolarHBondContact O-N 3.38Å; E90-V93 VanDerWaalsContact O-N 3.16Å; V93-K96 PolarHBondContact O-N 2.93Å; V93-K97 PolarHBondContact O-N 3.28Å
94E96.9Very high95.4Very high87 Ų8774.1 Ų74.141%0.40739%0.388SS..Hα-helixtrans-60.7-48173.8-169179.2157.300111.5V39 E90 K91 K97 Y98V39-E94 HydrophobicContact CG2-CB 4.13Å; V39-E94 VanDerWaalsContact CG2-CD 3.46Å; V39-E94 HydrophobicContact CG2-CG 3.87Å; V39-E94 WeakPolarHBondContact CG2-OE1 3.5Å; E90-E94 PolarHBondContact O-N 2.84Å; K91-E94 WeakPolarHBondContact CD-OE2 3.33Å; K91-E94 WeakPolarHBondContact CE-OE2 3.28Å; K91-E94 IonicContact NZ-OE1 2.79Å; K91-E94 IonicContact NZ-OE2 3.37Å; K91-E94 PolarHBondContact NZ-OE2 3.17Å; K91-E94 PolarHBondContact O-N 2.97Å; E94-K97 PolarHBondContact O-N 2.92Å; E94-Y98 PolarHBondContact O-N 3.35Å
95W96Very high95.6Very high14 Ų1463.7 Ų63.75%0.05334%0.343CS..Hα-helixtrans-58.6-47.7173.817479000112.6V39 F42 F43 E46 M67 K91 F92 K97 Y98 R99V39-W95 HydrophobicContact CG1-CB 3.85Å; F42-W95 HydrophobicContact CB-CB 4.07Å; F42-W95 VanDerWaalsContact CB-CD1 3.47Å; F42-W95 HydrophobicContact CB-CD2 3.43Å; F42-W95 VanDerWaalsContact CB-CD2 3.43Å; F42-W95 HydrophobicContact CB-CE3 4.09Å; F42-W95 HydrophobicContact CB-CG 3.4Å; F42-W95 VanDerWaalsContact CB-CG 3.4Å; F42-W95 HydrophobicContact CB-CZ2 4.24Å; F42-W95 HydrophobicContact CD2-CB 3.72Å; F42-W95 HydrophobicContact CD2-CG 4.02Å; F42-W95 HydrophobicContact CG-CB 4.12Å; F42-W95 HydrophobicContact CG-CD2 4.19Å; F42-W95 AromaticContact CG-CG 3.98Å; F42-W95 HydrophobicContact CG-CG 3.98Å; F42-W95 WeakPolarHBondContact O-CZ2 3.26Å; F43-W95 AromaticContact CD2-CD1 3.72Å; F43-W95 AromaticContact CD2-NE1 3.45Å; F43-W95 AromaticContact CE2-CD1 3.52Å; F43-W95 AromaticContact CE2-NE1 3.58Å; F43-W95 AromaticContact CG-NE1 3.92Å; E46-W95 HydrophobicContact CB-CH2 4.23Å; E46-W95 HydrophobicContact CB-CZ2 3.86Å; E46-W95 HydrophobicContact CG-CH2 4.33Å; E46-W95 HydrophobicContact CG-CZ2 4.14Å; M67-W95 HydrophobicContact CE-CH2 3.61Å; M67-W95 HydrophobicContact CE-CZ2 4.09Å; M67-W95 HydrophobicContact CE-CZ3 3.94Å; M67-W95 HydrophobicContact CG-CH2 4.06Å; M67-W95 HydrophobicContact CG-CZ3 4.06Å; M67-W95 HydrophobicContact SD-CH2 4.45Å; K91-W95 WeakPolarHBondContact O-CB 3.24Å; K91-W95 PolarHBondContact O-N 3.49Å; F92-W95 HydrophobicContact CD2-CE3 4.45Å; F92-W95 HydrophobicContact CE2-CE3 4.35Å; F92-W95 HydrophobicContact CE2-CZ3 4.17Å; F92-W95 HydrophobicContact CZ-CZ3 4.24Å; F92-W95 PolarHBondContact O-N 3.08Å; W95-K97 VanDerWaalsContact C-N 3.27Å; W95-K97 PolarHBondContact O-N 3.28Å; W95-Y98 WeakPolarHBondContact O-CB 3.06Å; W95-Y98 PolarHBondContact O-N 3.37Å; W95-Y98 VanDerWaalsContact O-N 3.11Å; W95-R99 HydrophobicContact CD2-CG 3.89Å; W95-R99 HydrophobicContact CG-CG 4.18Å; W95-R99 HydrophobicContact CH2-CG 4.45Å; W95-R99 HydrophobicContact CZ2-CG 3.69Å; W95-R99 VanDerWaalsContact NE1-CG 3.33Å; W95-R99 WeakPolarHBondContact O-CB 3.28Å; W95-R99 WeakPolarHBondContact O-CG 3.24Å; W95-R99 PolarHBondContact O-N 2.84Å
96K94.8Very high95.7Very high141 Ų14159.9 Ų59.961%0.61330%0.303SS*.Hα-helixtrans-61.8-36.6-180-172.8169.2-174.4167.60111.7F92 V93 G100F92-K96 HydrophobicContact CE1-CD 4.26Å; F92-K96 VanDerWaalsContact O-CB 3.28Å; F92-K96 WeakPolarHBondContact O-CB 3.45Å; F92-K96 PolarHBondContact O-N 3.14Å; V93-K96 PolarHBondContact O-N 2.93Å; K96-G100 PolarHBondContact O-N 3.14Å; K96-G100 VanDerWaalsContact O-N 3.1Å
97K93.1Very high95.9Very high169 Ų16957 Ų5774%0.73529%0.288SS*.Hα-helixtrans-65.2-50.2171.5-176-179.1176.9-173.40110.9V93 E94 W95 G100 S101V93-K97 PolarHBondContact O-N 3.28Å; E94-K97 PolarHBondContact O-N 2.92Å; W95-K97 VanDerWaalsContact C-N 3.27Å; W95-K97 PolarHBondContact O-N 3.28Å; K97-G100 PolarHBondContact O-N 2.98Å; K97-S101 PolarHBondContact O-N 2.8Å; K97-S101 VanDerWaalsContact O-N 3.09Å; K97-S101 PolarHBondContact O-OG 2.93Å; K97-S101 VanDerWaalsContact O-OG 3.11Å
98Y91.2Very high95.9Very high108 Ų10853.9 Ų53.942%0.42427%0.271SS..Hα-helixtrans-56-55.4178.2179.5-83.8000111.9F43 E94 W95 G100 S101 T102F43-Y98 HydrophobicContact CE1-CE1 4.38Å; F43-Y98 AromaticContact CZ-CD1 3.79Å; F43-Y98 HydrophobicContact CZ-CD1 3.79Å; F43-Y98 AromaticContact CZ-CE1 3.62Å; F43-Y98 HydrophobicContact CZ-CE1 3.62Å; E94-Y98 PolarHBondContact O-N 3.35Å; W95-Y98 WeakPolarHBondContact O-CB 3.06Å; W95-Y98 PolarHBondContact O-N 3.37Å; W95-Y98 VanDerWaalsContact O-N 3.11Å; Y98-G100 PolarHBondContact O-N 2.75Å; Y98-S101 CarbonylContact O-C 3.55Å; Y98-S101 PolarHBondContact O-N 2.94Å; Y98-S101 PolarHBondContact O-OG 2.97Å; Y98-T102 PolarHBondContact O-N 3.03Å; Y98-T102 VanDerWaalsContact O-N 3.08Å; Y98-T102 PolarHBondContact O-OG1 2.85Å
99R89.8Confident95.9Very high42 Ų4252.6 Ų52.616%0.15827%0.266CS..Hα-helixtrans-60.2-26.9177.6-69.5-72.8-72.9167.13.8112.9F43 E46 W95 T102 K134F43-R99 VanDerWaalsContact CE1-CD 3.47Å; E46-R99 IonicContact OE1-CZ 2.69Å; E46-R99 VanDerWaalsContact OE1-CZ 3.31Å; E46-R99 IonicContact OE1-NE 3.82Å; E46-R99 PolarHBondContact OE1-NE 3.4Å; E46-R99 VanDerWaalsContact OE1-NE 3.13Å; E46-R99 IonicContact OE1-NH2 2.77Å; E46-R99 PolarHBondContact OE1-NH2 2.85Å; E46-R99 IonicContact OE2-CZ 3.61Å; E46-R99 IonicContact OE2-NE 3.96Å; E46-R99 PolarHBondContact OE2-NE 3.48Å; E46-R99 IonicContact OE2-NH1 2.8Å; E46-R99 IonicContact OE2-NH2 2.67Å; E46-R99 PolarHBondContact OE2-NH2 2.99Å; W95-R99 HydrophobicContact CD2-CG 3.89Å; W95-R99 HydrophobicContact CG-CG 4.18Å; W95-R99 HydrophobicContact CH2-CG 4.45Å; W95-R99 HydrophobicContact CZ2-CG 3.69Å; W95-R99 VanDerWaalsContact NE1-CG 3.33Å; W95-R99 WeakPolarHBondContact O-CB 3.28Å; W95-R99 WeakPolarHBondContact O-CG 3.24Å; W95-R99 PolarHBondContact O-N 2.84Å; R99-T102 WeakPolarHBondContact CA-OG1 3.36Å; R99-K134 VanDerWaalsContact O-CE 3.31Å; R99-K134 WeakPolarHBondContact O-CE 3.09Å; R99-K134 PolarHBondContact O-NZ 2.84Å
100G88.6Confident95.9Very high47 Ų4748.6 Ų48.649%0.48525%0.248SC..Hα-helixtrans-73.5-33.7174.200000113.1K96 K97 Y98 T174K96-G100 PolarHBondContact O-N 3.14Å; K96-G100 VanDerWaalsContact O-N 3.1Å; K97-G100 PolarHBondContact O-N 2.98Å; Y98-G100 PolarHBondContact O-N 2.75Å; G100-T174 PolarHBondContact O-OG1 2.83Å
101S91.5Very high95.9Very high69 Ų6942.5 Ų42.548%0.48322%0.219SC..Hα-helixtrans-89.1-7.517953.20000115.6K97 Y98 A103K97-S101 PolarHBondContact O-N 2.8Å; K97-S101 VanDerWaalsContact O-N 3.09Å; K97-S101 PolarHBondContact O-OG 2.93Å; K97-S101 VanDerWaalsContact O-OG 3.11Å; Y98-S101 CarbonylContact O-C 3.55Å; Y98-S101 PolarHBondContact O-N 2.94Å; Y98-S101 PolarHBondContact O-OG 2.97Å; S101-A103 PolarHBondContact O-N 3.48Å
102T94.4Very high95.9Very high15 Ų1543.6 Ų43.69%0.09223%0.225CC..  trans-58.3125.5177.1-50.30000111Y98 R99 K134 I135 T174Y98-T102 PolarHBondContact O-N 3.03Å; Y98-T102 VanDerWaalsContact O-N 3.08Å; Y98-T102 PolarHBondContact O-OG1 2.85Å; R99-T102 WeakPolarHBondContact CA-OG1 3.36Å; T102-K134 HydrophobicContact CG2-CB 3.91Å; T102-K134 HydrophobicContact CG2-CD 4.37Å; T102-K134 HydrophobicContact CG2-CG 4.28Å; T102-I135 HydrophobicContact CG2-CG2 3.89Å; T102-I135 WeakPolarHBondContact CG2-O 3.3Å; T102-T174 WeakPolarHBondContact O-CG2 3.38Å
103A97.4Very high95.8Very high21 Ų2148.3 Ų48.317%0.17425%0.247CC..  trans-62.6151.917900000111.7S101 I135 L141 L175S101-A103 PolarHBondContact O-N 3.48Å; A103-I135 HydrophobicContact CB-CG2 4.31Å; A103-I135 WeakPolarHBondContact O-CG2 3.1Å; A103-I135 PolarHBondContact O-N 2.93Å; A103-L141 HydrophobicContact CB-CD2 4.35Å; A103-L175 VanDerWaalsContact CA-O 3.28Å; A103-L175 WeakPolarHBondContact CA-O 3.32Å; A103-L175 HydrophobicContact CB-CB 4.09Å; A103-L175 HydrophobicContact CB-CD2 4.41Å; A103-L175 HydrophobicContact CB-CG 4.45Å
104T98Very high95.8Very high8 Ų845.1 Ų45.15%0.04923%0.226CC..EExtended strand (participates in β ladder)trans-115.8133.7179.464.80000112.5G133 K134 L175 R176 R177T104-G133 CarbonylContact C-O 3.59Å; T104-G133 WeakPolarHBondContact CA-O 3.24Å; T104-G133 WeakPolarHBondContact CB-O 3.49Å; T104-G133 WeakPolarHBondContact CG2-O 3.46Å; T104-K134 HydrophobicContact CG2-CG 4.11Å; T104-L175 PolarHBondContact N-O 2.75Å; T104-R176 WeakPolarHBondContact OG1-CA 3.41Å; T104-R176 WeakPolarHBondContact OG1-CB 3.49Å; T104-R176 VanDerWaalsContact OG1-CG 3.28Å; T104-R176 WeakPolarHBondContact OG1-CG 3.47Å; T104-R177 PolarHBondContact O-N 2.83Å
105G98.5Very high95.8Very high0 Ų046.5 Ų46.50%023%0.23CC..EExtended strand (participates in β ladder)trans-99.8129.3167.200000109.8G132 G133G105-G132 CarbonylContact O-C 3.43Å; G105-G132 VanDerWaalsContact O-CA 3.24Å; G105-G132 WeakPolarHBondContact O-CA 3.42Å; G105-G133 PolarHBondContact N-O 2.74Å; G105-G133 VanDerWaalsContact N-O 3.14Å; G105-G133 PolarHBondContact O-N 3.26Å
106S98.7Very high95.9Very high7 Ų748.4 Ų48.45%0.04924%0.24CC..EExtended strand (participates in β ladder)trans-145.8166.3-177.758.90000111.6P131 R177 A178 F179S106-P131 CarbonylContact C-O 3.47Å; S106-P131 VanDerWaalsContact CA-O 3.26Å; S106-P131 WeakPolarHBondContact CA-O 3.37Å; S106-P131 VanDerWaalsContact CB-O 3.24Å; S106-P131 WeakPolarHBondContact CB-O 3.38Å; S106-R177 PolarHBondContact N-O 2.69Å; S106-R177 PolarHBondContact OG-O 2.92Å; S106-A178 CarbonylContact O-C 3.53Å; S106-A178 WeakPolarHBondContact O-CA 3.43Å; S106-F179 PolarHBondContact O-N 3.34Å
107M98.8Very high96Very high0 Ų041.7 Ų41.70%021%0.211CC..EExtended strand (participates in β ladder)trans-118.4134.3173.5-63.9-168.7-150.300113I109 P131 A145 V149 L157 I161 F179 V181M107-I109 HydrophobicContact CB-CD1 4.4Å; M107-I109 HydrophobicContact CB-CG1 3.77Å; M107-I109 PolarHBondContact O-N 3.15Å; M107-P131 PolarHBondContact N-O 2.94Å; M107-A145 HydrophobicContact CE-CB 4.46Å; M107-A145 WeakPolarHBondContact CE-O 3.41Å; M107-A145 HydrophobicContact CG-CB 4.33Å; M107-V149 HydrophobicContact CB-CG2 3.85Å; M107-V149 HydrophobicContact CE-CB 4.16Å; M107-V149 HydrophobicContact CE-CG1 4.47Å; M107-V149 HydrophobicContact CE-CG2 4.06Å; M107-V149 HydrophobicContact CG-CG2 3.74Å; M107-V149 HydrophobicContact SD-CG1 4.44Å; M107-V149 HydrophobicContact SD-CG2 4.08Å; M107-L157 HydrophobicContact CE-CB 3.93Å; M107-L157 HydrophobicContact SD-CB 3.83Å; M107-L157 HydrophobicContact SD-CD1 3.82Å; M107-L157 HydrophobicContact SD-CG 4.46Å; M107-I161 HydrophobicContact CE-CB 4.23Å; M107-I161 HydrophobicContact CE-CD1 3.63Å; M107-I161 HydrophobicContact CE-CG1 4.47Å; M107-I161 HydrophobicContact CG-CD1 4.17Å; M107-I161 HydrophobicContact SD-CD1 4.15Å; M107-F179 CarbonylContact C-O 3.55Å; M107-F179 VanDerWaalsContact CA-O 3.28Å; M107-F179 WeakPolarHBondContact CA-O 3.41Å; M107-F179 HydrophobicContact CG-CB 4.48Å; M107-V181 HydrophobicContact CG-CG2 4.39Å; M107-V181 HydrophobicContact SD-CG2 3.57Å; M107-V181 VanDerWaalsContact SD-CG2 3.57Å
108I98.8Very high96.3Very high0 Ų033.6 Ų33.60%018%0.176CC..EExtended strand (participates in β ladder)trans-85.893.3158.6-63.7160.2000106.5I110 I117 L130 I167 A178 F179 I180 V181 F235 L239I108-I110 HydrophobicContact CG2-CD1 4.34Å; I108-I110 HydrophobicContact CG2-CG1 3.88Å; I108-I110 PolarHBondContact O-N 3.33Å; I108-I117 HydrophobicContact CG2-CG2 3.71Å; I108-L130 HydrophobicContact CB-CD2 4.44Å; I108-L130 HydrophobicContact CD1-CD1 4.36Å; I108-L130 HydrophobicContact CG1-CD1 3.7Å; I108-L130 HydrophobicContact CG1-CD2 3.67Å; I108-L130 HydrophobicContact CG1-CG 4.34Å; I108-I167 HydrophobicContact CD1-CD1 4.14Å; I108-A178 HydrophobicContact CD1-CB 3.72Å; I108-A178 HydrophobicContact CG1-CB 3.93Å; I108-F179 PolarHBondContact N-O 2.85Å; I108-I180 HydrophobicContact CB-CG1 4.43Å; I108-I180 HydrophobicContact CD1-CG1 4.33Å; I108-V181 PolarHBondContact O-N 2.86Å; I108-F235 HydrophobicContact CD1-CB 4.36Å; I108-F235 HydrophobicContact CD1-CD1 4.39Å; I108-L239 HydrophobicContact CG2-CD1 3.79Å; I108-L239 HydrophobicContact CG2-CD2 3.78Å; I108-L239 HydrophobicContact CG2-CG 4.44Å
109I98.3Very high96.5Very high0 Ų028.5 Ų28.50%016%0.156CC..EExtended strand (participates in β ladder)trans-85.2109.3177.6-54.8174000107.7M107 I117 L118 P131 V149 L155 L157 L184 W203M107-I109 HydrophobicContact CB-CD1 4.4Å; M107-I109 HydrophobicContact CB-CG1 3.77Å; M107-I109 PolarHBondContact O-N 3.15Å; I109-I117 WeakPolarHBondContact O-CA 3.48Å; I109-L118 HydrophobicContact CB-CB 4.03Å; I109-L118 HydrophobicContact CD1-CD2 4.11Å; I109-L118 HydrophobicContact CG2-CB 4.43Å; I109-L118 PolarHBondContact O-N 2.82Å; I109-P131 HydrophobicContact CD1-CG 3.98Å; I109-V149 HydrophobicContact CD1-CG1 3.91Å; I109-L155 HydrophobicContact CD1-CD1 3.91Å; I109-L157 HydrophobicContact CD1-CD1 3.65Å; I109-L157 HydrophobicContact CG1-CD1 3.85Å; I109-L157 HydrophobicContact CG2-CD1 4.37Å; I109-L184 HydrophobicContact CG2-CB 3.91Å; I109-L184 HydrophobicContact CG2-CD2 3.82Å; I109-L184 HydrophobicContact CG2-CG 3.62Å; I109-W203 HydrophobicContact CG2-CH2 4.07Å
110I98.4Very high96.8Very high0 Ų026.5 Ų26.50%015%0.148CC..EExtended strand (participates in β ladder)trans-97.8137.2-178-51.8179.5000110I108 H114 I117 I180 V181 E182 G183 L184 I206 L239 Y242 I243I108-I110 HydrophobicContact CG2-CD1 4.34Å; I108-I110 HydrophobicContact CG2-CG1 3.88Å; I108-I110 PolarHBondContact O-N 3.33Å; I110-H114 HydrophobicContact CG2-CB 4.33Å; I110-I117 HydrophobicContact CG1-CG2 4.03Å; I110-I180 HydrophobicContact CD1-CG2 3.65Å; I110-I180 HydrophobicContact CG1-CG2 4.32Å; I110-V181 PolarHBondContact N-O 3.4Å; I110-E182 HydrophobicContact CD1-CG 4.37Å; I110-G183 PolarHBondContact O-N 3.17Å; I110-L184 PolarHBondContact O-N 3.08Å; I110-L184 VanDerWaalsContact O-N 3.11Å; I110-I206 HydrophobicContact CG2-CD1 4.48Å; I110-L239 HydrophobicContact CD1-CD1 3.83Å; I110-Y242 HydrophobicContact CD1-CD1 4.41Å; I110-Y242 HydrophobicContact CD1-CE1 4.19Å; I110-I243 HydrophobicContact CD1-CD1 4.44Å; I110-I243 HydrophobicContact CD1-CG1 4.4Å
111D97.5Very high97Very high0 Ų025.7 Ų25.70%013%0.132CC..EExtended strand (participates in β ladder)trans-67.3168.2179.781.8-51.5000114H113 H114 K115 M116 L184 R186 W203D111-H113 PolarHBondContact O-N 2.77Å; D111-H113 VanDerWaalsContact O-N 3.09Å; D111-H113 WeakPolarHBondContact OD2-CB 3.47Å; D111-H113 PolarHBondContact OD2-N 2.91Å; D111-H114 PolarHBondContact O-N 2.73Å; D111-H114 WeakPolarHBondContact OD1-CA 3.02Å; D111-H114 PolarHBondContact OD1-N 3.49Å; D111-K115 PolarHBondContact OD1-N 2.78Å; D111-M116 HydrophobicContact CB-CB 4.22Å; D111-M116 PolarHBondContact N-O 2.93Å; D111-M116 PolarHBondContact OD1-N 3.47Å; D111-L184 CarbonylContact C-O 3.54Å; D111-L184 VanDerWaalsContact CA-O 3.25Å; D111-L184 WeakPolarHBondContact CA-O 3.43Å; D111-R186 HydrophobicContact CB-CG 3.93Å; D111-R186 IonicContact OD2-CZ 2.91Å; D111-R186 IonicContact OD2-NE 2.82Å; D111-R186 PolarHBondContact OD2-NE 2.86Å; D111-R186 IonicContact OD2-NH2 2.97Å; D111-R186 PolarHBondContact OD2-NH2 3.36Å; D111-W203 HydrophobicContact CB-CE3 4.1Å; D111-W203 HydrophobicContact CB-CH2 4.17Å; D111-W203 HydrophobicContact CB-CZ3 3.72Å
112E96.4Very high96.9Very high77 Ų7723.6 Ų23.636%0.3612%0.121SC..THydrogen-bonded Turntrans-57.1-22.8177.469.4-87.1-127.600114.2L184 P185 R186E112-L184 PolarHBondContact N-O 2.97Å; E112-P185 WeakPolarHBondContact OE1-CA 3.48Å; E112-R186 PolarHBondContact OE1-N 3.19Å; E112-R186 WeakPolarHBondContact OE2-CG 3.39Å; E112-R186 PolarHBondContact OE2-N 2.53Å; E112-R186 VanDerWaalsContact OE2-N 3.17Å
113H97Very high96.3Very high111 Ų11127.5 Ų27.551%0.51414%0.137SC..THydrogen-bonded Turntrans-104.62.1-178.8-55.9-48.9000115D111 K115D111-H113 PolarHBondContact O-N 2.77Å; D111-H113 VanDerWaalsContact O-N 3.09Å; D111-H113 WeakPolarHBondContact OD2-CB 3.47Å; D111-H113 PolarHBondContact OD2-N 2.91Å; H113-K115 VanDerWaalsContact C-N 3.27Å; H113-K115 HydrophobicContact CB-CG 4.12Å; H113-K115 PolarHBondContact O-N 3.49Å
114H97.7Very high95.3Very high31 Ų3133 Ų3314%0.14415%0.154CC..SBendtrans53.840.8-175.9-59.453.4000113.2I110 D111 E182 I243 L247I110-H114 HydrophobicContact CG2-CB 4.33Å; D111-H114 PolarHBondContact O-N 2.73Å; D111-H114 WeakPolarHBondContact OD1-CA 3.02Å; D111-H114 PolarHBondContact OD1-N 3.49Å; H114-E182 IonicContact NE2-OE2 2.78Å; H114-I243 HydrophobicContact CB-CG2 4.06Å; H114-L247 HydrophobicContact CB-CD2 4.4Å
115K97.6Very high94.4Very high117 Ų11734.1 Ų34.151%0.50917%0.167SC..SBendtrans-118.8-25.3178.1-59.2-55174.5-168.80113.7D111 H113 I206D111-K115 PolarHBondContact OD1-N 2.78Å; H113-K115 VanDerWaalsContact C-N 3.27Å; H113-K115 HydrophobicContact CB-CG 4.12Å; H113-K115 PolarHBondContact O-N 3.49Å; K115-I206 WeakPolarHBondContact O-CG1 3.44Å; K115-I206 PolarHBondContact O-N 3.16Å
116M97.4Very high93.7Very high53 Ų5338.1 Ų38.126%0.26119%0.189SC..EExtended strand (participates in β ladder)trans-131.5149.3-172.8-65.9-175.9170.700112.1D111 R186 W203 F204D111-M116 HydrophobicContact CB-CB 4.22Å; D111-M116 PolarHBondContact N-O 2.93Å; D111-M116 PolarHBondContact OD1-N 3.47Å; M116-R186 VanDerWaalsContact SD-CZ 3.58Å; M116-W203 HydrophobicContact CB-CB 4.25Å; M116-W203 HydrophobicContact CB-CE3 3.97Å; M116-W203 HydrophobicContact SD-CB 4Å; M116-F204 CarbonylContact C-O 3.59Å; M116-F204 WeakPolarHBondContact CA-O 3.44Å
117I98Very high93.4Very high0 Ų044.1 Ų44.10%021%0.211CC..EExtended strand (participates in β ladder)trans-118.8150.2166.757172.6000111.6I108 I109 I110 L119 L130 W203 F204 I206 L209 I236 L239I108-I117 HydrophobicContact CG2-CG2 3.71Å; I109-I117 WeakPolarHBondContact O-CA 3.48Å; I110-I117 HydrophobicContact CG1-CG2 4.03Å; I117-L119 HydrophobicContact CD1-CD2 3.89Å; I117-L119 HydrophobicContact CD1-CG 4.44Å; I117-L119 HydrophobicContact CG1-CD2 4.31Å; I117-L119 HydrophobicContact CG1-CG 4.4Å; I117-L130 HydrophobicContact CD1-CD2 4.18Å; I117-W203 VanDerWaalsContact C-CE3 3.47Å; I117-W203 CarbonylContact O-C 3.59Å; I117-W203 WeakPolarHBondContact O-CA 3.25Å; I117-F204 PolarHBondContact N-O 2.77Å; I117-F204 PolarHBondContact O-N 2.82Å; I117-I206 HydrophobicContact CB-CG1 4.45Å; I117-I206 HydrophobicContact CG1-CG1 4.26Å; I117-I206 HydrophobicContact CG2-CD1 3.71Å; I117-I206 HydrophobicContact CG2-CG1 3.88Å; I117-L209 HydrophobicContact CD1-CD1 3.64Å; I117-L209 HydrophobicContact CG1-CD1 3.74Å; I117-I236 HydrophobicContact CD1-CD1 4.03Å; I117-L239 HydrophobicContact CD1-CD2 4.07Å; I117-L239 HydrophobicContact CG2-CD2 3.95Å
118L97.5Very high93.2Very high0 Ų045 Ų450%021%0.214CC..EExtended strand (participates in β ladder)trans-78.5129.4171.6-156.673.7000110.6I109 P131 T153 L155 L190 I201 W203I109-L118 HydrophobicContact CB-CB 4.03Å; I109-L118 HydrophobicContact CD1-CD2 4.11Å; I109-L118 HydrophobicContact CG2-CB 4.43Å; I109-L118 PolarHBondContact O-N 2.82Å; L118-P131 WeakPolarHBondContact O-CD 3.34Å; L118-T153 HydrophobicContact CD2-CG2 4.12Å; L118-L155 HydrophobicContact CD2-CD1 4.07Å; L118-L190 HydrophobicContact CD1-CD1 3.5Å; L118-L190 VanDerWaalsContact CD1-CD1 3.5Å; L118-L190 HydrophobicContact CD2-CD1 4.07Å; L118-L190 HydrophobicContact CD2-CD2 3.97Å; L118-L190 HydrophobicContact CG-CD1 4.41Å; L118-I201 HydrophobicContact CD1-CG2 3.93Å; L118-I201 HydrophobicContact CD2-CG2 3.83Å; L118-I201 HydrophobicContact CG-CG2 3.85Å; L118-W203 HydrophobicContact CB-CD2 4.48Å; L118-W203 HydrophobicContact CB-CE3 4.22Å; L118-W203 HydrophobicContact CB-CH2 4.35Å; L118-W203 HydrophobicContact CB-CZ3 4.14Å; L118-W203 HydrophobicContact CD1-CD2 3.64Å; L118-W203 VanDerWaalsContact CD1-CE2 3.48Å; L118-W203 HydrophobicContact CD1-CE3 4.22Å; L118-W203 HydrophobicContact CD1-CG 3.92Å; L118-W203 HydrophobicContact CD1-CZ2 3.97Å
119L97.2Very high93.1Very high0 Ų046.3 Ų46.30%022%0.223CC..EExtended strand (participates in β ladder)trans-124.4153.5170.8-59.4-178.2000110I117 W128 S129 L130 T202 F204 L209 F229 V232I117-L119 HydrophobicContact CD1-CD2 3.89Å; I117-L119 HydrophobicContact CD1-CG 4.44Å; I117-L119 HydrophobicContact CG1-CD2 4.31Å; I117-L119 HydrophobicContact CG1-CG 4.4Å; L119-W128 HydrophobicContact CB-CB 4.5Å; L119-W128 HydrophobicContact CB-CE3 3.78Å; L119-W128 HydrophobicContact CB-CZ3 4.49Å; L119-W128 HydrophobicContact CD1-CB 4.2Å; L119-S129 VanDerWaalsContact CA-O 3.31Å; L119-S129 WeakPolarHBondContact CA-O 3.05Å; L119-S129 WeakPolarHBondContact CB-O 3.09Å; L119-S129 WeakPolarHBondContact CD2-O 3.28Å; L119-L130 HydrophobicContact CD2-CD2 3.82Å; L119-T202 PolarHBondContact N-O 2.9Å; L119-T202 PolarHBondContact O-N 3.07Å; L119-F204 HydrophobicContact CB-CD2 3.82Å; L119-F204 HydrophobicContact CB-CE2 4.05Å; L119-F204 HydrophobicContact CD1-CB 4.13Å; L119-F204 HydrophobicContact CD1-CD2 3.59Å; L119-F204 HydrophobicContact CD1-CE2 4.11Å; L119-F204 HydrophobicContact CD1-CG 3.85Å; L119-F204 HydrophobicContact CG-CD2 3.86Å; L119-F204 HydrophobicContact CG-CE2 4.48Å; L119-F204 HydrophobicContact CG-CG 4.45Å; L119-L209 HydrophobicContact CD1-CD1 4.36Å; L119-L209 HydrophobicContact CD1-CD2 3.95Å; L119-F229 HydrophobicContact CD1-CD1 4.12Å; L119-F229 HydrophobicContact CD1-CE1 4.04Å; L119-V232 HydrophobicContact CD1-CG1 4.32Å; L119-V232 HydrophobicContact CD1-CG2 4.25Å; L119-V232 HydrophobicContact CD2-CG1 4.11Å; L119-V232 HydrophobicContact CD2-CG2 3.84Å
120V95.7Very high93.1Very high0 Ų046.7 Ų46.70%023%0.225CC..EExtended strand (participates in β ladder)trans-115.7154174.7-63.20000110.9W128 S129 P131 E152 T153 I198 A200 I201V120-W128 VanDerWaalsContact C-CE3 3.46Å; V120-W128 VanDerWaalsContact O-CA 3.32Å; V120-W128 WeakPolarHBondContact O-CA 3.01Å; V120-S129 PolarHBondContact N-O 2.92Å; V120-S129 PolarHBondContact O-N 3.18Å; V120-P131 HydrophobicContact CG1-CB 3.79Å; V120-P131 HydrophobicContact CG1-CG 4.25Å; V120-P131 HydrophobicContact CG2-CB 4.3Å; V120-E152 HydrophobicContact CG1-CB 4.5Å; V120-T153 HydrophobicContact CG1-CG2 3.85Å; V120-I198 HydrophobicContact CB-CD1 4.2Å; V120-I198 HydrophobicContact CB-CG2 4.21Å; V120-I198 HydrophobicContact CG1-CG2 4.44Å; V120-I198 HydrophobicContact CG2-CD1 4.31Å; V120-A200 CarbonylContact C-O 3.5Å; V120-A200 WeakPolarHBondContact CA-O 3.47Å; V120-I201 HydrophobicContact CG1-CG1 4.32Å; V120-I201 HydrophobicContact CG1-CG2 4.23Å
121Q93.4Very high93.1Very high31 Ų3146.7 Ų46.715%0.14523%0.225CC..EExtended strand (participates in β ladder)trans-130.6126.8175.7173.4167.354.100109.6N126 W128 I198 E199 A200Q121-N126 PolarHBondContact NE2-O 2.96Å; Q121-W128 HydrophobicContact CB-CD2 3.89Å; Q121-W128 HydrophobicContact CB-CE3 3.7Å; Q121-W128 HydrophobicContact CB-CH2 3.84Å; Q121-W128 HydrophobicContact CB-CZ2 4.02Å; Q121-W128 HydrophobicContact CB-CZ3 3.67Å; Q121-W128 VanDerWaalsContact OE1-CZ2 3.28Å; Q121-I198 WeakPolarHBondContact O-CA 3.5Å; Q121-E199 PolarHBondContact O-N 2.91Å; Q121-A200 HydrophobicContact CB-CB 4.28Å; Q121-A200 PolarHBondContact N-O 2.97Å; Q121-A200 PolarHBondContact O-N 2.88Å
122G88.3Confident93Very high24 Ų2447.3 Ų47.325%0.24723%0.232CC..EExtended strand (participates in β ladder)trans-82.3144-177.100000113.6Y124 G125 E197G122-Y124 VanDerWaalsContact C-N 3.27Å; G122-Y124 PolarHBondContact O-N 2.9Å; G122-Y124 VanDerWaalsContact O-N 3.15Å; G122-G125 CarbonylContact O-C 3.56Å; G122-G125 PolarHBondContact O-N 2.85Å; G122-E197 CarbonylContact C-O 3.1Å; G122-E197 WeakPolarHBondContact CA-O 3.43Å
123F81.8Confident93Very high97 Ų9744.4 Ų44.443%0.42522%0.222SC..THydrogen-bonded Turntrans-58.1-32.9-171.3-160.8-88.6000114.9N196 E197 E199F123-N196 WeakPolarHBondContact CB-O 3.27Å; F123-E197 PolarHBondContact N-O 2.92Å; F123-E199 HydrophobicContact CB-CB 4.32Å; F123-E199 HydrophobicContact CD2-CB 3.97Å; F123-E199 HydrophobicContact CG-CB 4.47Å
124Y76.2Confident92.9Very high136 Ų13642.5 Ų42.553%0.53321%0.212SC..THydrogen-bonded Turntrans-98.217.9178.8-56.8-74.4000113.1W50 I53 G122 N196W50-Y124 HydrophobicContact CZ3-CE2 4.42Å; I53-Y124 HydrophobicContact CG2-CE2 4.28Å; I53-Y124 WeakPolarHBondContact CG2-OH 3.44Å; G122-Y124 VanDerWaalsContact C-N 3.27Å; G122-Y124 PolarHBondContact O-N 2.9Å; G122-Y124 VanDerWaalsContact O-N 3.15Å; Y124-N196 HydrophobicContact CE2-CB 4.38Å; Y124-N196 WeakPolarHBondContact CE2-O 3.31Å
125G78.6Confident92.9Very high32 Ų3243 Ų4333%0.3322%0.215SC..  trans-158.7125.3-174.400000115.5G122 R127G122-G125 CarbonylContact O-C 3.56Å; G122-G125 PolarHBondContact O-N 2.85Å; G125-R127 PolarHBondContact O-N 2.96Å
126N84.9Confident92.6Very high84 Ų8440.9 Ų40.945%0.44921%0.21SC..SBendtrans-68.916.6177.477.4-18.4000115.7Q121 N228Q121-N126 PolarHBondContact NE2-O 2.96Å; N126-N228 PolarHBondContact ND2-OD1 3.11Å; N126-N228 WeakPolarHBondContact O-CB 3.46Å; N126-N228 PolarHBondContact O-ND2 3Å; N126-N228 VanDerWaalsContact O-ND2 3.09Å
127R91.7Very high92.1Very high134 Ų13443 Ų4351%0.50622%0.219SC..  trans-99.5140.1-175.3-66.5-179.8-178.5155.82.6110.9G125 N228G125-R127 PolarHBondContact O-N 2.96Å; R127-N228 CarbonylContact C-O 3.54Å; R127-N228 VanDerWaalsContact CA-O 3.28Å; R127-N228 WeakPolarHBondContact CA-O 3.18Å
128W95.1Very high91.7Very high18 Ų1850.4 Ų50.47%0.06826%0.259CS..EExtended strand (participates in β ladder)trans-95.7138.6171-67.596.1000110L119 V120 Q121 A200 F204 N228 F229 V232L119-W128 HydrophobicContact CB-CB 4.5Å; L119-W128 HydrophobicContact CB-CE3 3.78Å; L119-W128 HydrophobicContact CB-CZ3 4.49Å; L119-W128 HydrophobicContact CD1-CB 4.2Å; V120-W128 VanDerWaalsContact C-CE3 3.46Å; V120-W128 VanDerWaalsContact O-CA 3.32Å; V120-W128 WeakPolarHBondContact O-CA 3.01Å; Q121-W128 HydrophobicContact CB-CD2 3.89Å; Q121-W128 HydrophobicContact CB-CE3 3.7Å; Q121-W128 HydrophobicContact CB-CH2 3.84Å; Q121-W128 HydrophobicContact CB-CZ2 4.02Å; Q121-W128 HydrophobicContact CB-CZ3 3.67Å; Q121-W128 VanDerWaalsContact OE1-CZ2 3.28Å; W128-A200 HydrophobicContact CH2-CB 3.73Å; W128-A200 HydrophobicContact CZ3-CB 4.37Å; W128-F204 AromaticContact CD2-CE2 3.74Å; W128-F204 HydrophobicContact CD2-CE2 3.74Å; W128-F204 AromaticContact CD2-CZ 3.73Å; W128-F204 HydrophobicContact CD2-CZ 3.73Å; W128-F204 AromaticContact CE2-CE2 3.95Å; W128-F204 AromaticContact CE2-CZ 3.55Å; W128-F204 AromaticContact CE3-CE2 3.61Å; W128-F204 HydrophobicContact CE3-CE2 3.61Å; W128-F204 HydrophobicContact CE3-CZ 4.09Å; W128-F204 HydrophobicContact CG-CE2 4.45Å; W128-F204 HydrophobicContact CG-CZ 4.26Å; W128-F204 AromaticContact CH2-CE2 3.96Å; W128-F204 HydrophobicContact CH2-CE2 3.96Å; W128-F204 HydrophobicContact CH2-CZ 4.13Å; W128-F204 HydrophobicContact CZ2-CE2 4.07Å; W128-F204 AromaticContact CZ2-CZ 3.77Å; W128-F204 HydrophobicContact CZ2-CZ 3.77Å; W128-F204 AromaticContact CZ3-CE2 3.74Å; W128-F204 HydrophobicContact CZ3-CE2 3.74Å; W128-F204 HydrophobicContact CZ3-CZ 4.28Å; W128-F204 AromaticContact NE1-CZ 3.92Å; W128-N228 PolarHBondContact N-O 2.82Å; W128-F229 HydrophobicContact CB-CD1 3.77Å; W128-F229 HydrophobicContact CB-CE1 3.76Å; W128-F229 AromaticContact CD1-CE1 3.6Å; W128-F229 AromaticContact CD1-CZ 3.71Å; W128-F229 HydrophobicContact CG-CD1 4.24Å; W128-F229 AromaticContact CG-CE1 3.73Å; W128-F229 HydrophobicContact CG-CE1 3.73Å; W128-F229 HydrophobicContact CG-CZ 4.29Å; W128-V232 WeakPolarHBondContact O-CG2 3.44Å
129S96.7Very high91.6Very high28 Ų2852.4 Ų52.420%0.19627%0.268CS..EExtended strand (participates in β ladder)trans-131.8162.3173.840.40000111.2L119 V120L119-S129 VanDerWaalsContact CA-O 3.31Å; L119-S129 WeakPolarHBondContact CA-O 3.05Å; L119-S129 WeakPolarHBondContact CB-O 3.09Å; L119-S129 WeakPolarHBondContact CD2-O 3.28Å; V120-S129 PolarHBondContact N-O 2.92Å; V120-S129 PolarHBondContact O-N 3.18Å
130L98.3Very high91.6Very high8 Ų854.5 Ų54.54%0.04228%0.282CS..  trans-63139.8159.5-61.9171.2000107.8I108 I117 L119 G132 A178 F235I108-L130 HydrophobicContact CB-CD2 4.44Å; I108-L130 HydrophobicContact CD1-CD1 4.36Å; I108-L130 HydrophobicContact CG1-CD1 3.7Å; I108-L130 HydrophobicContact CG1-CD2 3.67Å; I108-L130 HydrophobicContact CG1-CG 4.34Å; I117-L130 HydrophobicContact CD1-CD2 4.18Å; L119-L130 HydrophobicContact CD2-CD2 3.82Å; L130-G132 PolarHBondContact O-N 2.98Å; L130-A178 HydrophobicContact CD1-CB 3.63Å; L130-F235 HydrophobicContact CD1-CD1 4.47Å; L130-F235 HydrophobicContact CD1-CD2 3.9Å; L130-F235 HydrophobicContact CD1-CE2 4.06Å; L130-F235 HydrophobicContact CD1-CG 4.12Å; L130-F235 HydrophobicContact CD1-CZ 4.41Å
131P97.6Very high91.8Very high0 Ų055.7 Ų55.70%029%0.289CS..SBendtrans-61.9131174.713.5-17.1000110.8S106 M107 I109 L118 V120 V149 E152 T153S106-P131 CarbonylContact C-O 3.47Å; S106-P131 VanDerWaalsContact CA-O 3.26Å; S106-P131 WeakPolarHBondContact CA-O 3.37Å; S106-P131 VanDerWaalsContact CB-O 3.24Å; S106-P131 WeakPolarHBondContact CB-O 3.38Å; M107-P131 PolarHBondContact N-O 2.94Å; I109-P131 HydrophobicContact CD1-CG 3.98Å; L118-P131 WeakPolarHBondContact O-CD 3.34Å; V120-P131 HydrophobicContact CG1-CB 3.79Å; V120-P131 HydrophobicContact CG1-CG 4.25Å; V120-P131 HydrophobicContact CG2-CB 4.3Å; P131-V149 HydrophobicContact CB-CG2 4.12Å; P131-E152 WeakPolarHBondContact CA-OE2 3.48Å; P131-E152 WeakPolarHBondContact CB-OE2 3.49Å; P131-T153 HydrophobicContact CB-CG2 3.77Å; P131-T153 HydrophobicContact CG-CG2 4.19Å
132G97.1Very high92Very high13 Ų1355.5 Ų55.513%0.13429%0.29CS..  trans138.6141.6-169.800000114.7G105 L130 E152G105-G132 CarbonylContact O-C 3.43Å; G105-G132 VanDerWaalsContact O-CA 3.24Å; G105-G132 WeakPolarHBondContact O-CA 3.42Å; L130-G132 PolarHBondContact O-N 2.98Å; G132-E152 PolarHBondContact N-OE2 3.24Å
133G95.8Very high92.5Very high15 Ų1558.7 Ų58.716%0.15530%0.301CS..  trans-125.7-141.9-17900000113.6T104 G105 E148T104-G133 CarbonylContact C-O 3.59Å; T104-G133 WeakPolarHBondContact CA-O 3.24Å; T104-G133 WeakPolarHBondContact CB-O 3.49Å; T104-G133 WeakPolarHBondContact CG2-O 3.46Å; G105-G133 PolarHBondContact N-O 2.74Å; G105-G133 VanDerWaalsContact N-O 3.14Å; G105-G133 PolarHBondContact O-N 3.26Å; G133-E148 WeakPolarHBondContact CA-OE2 3.5Å; G133-E148 VanDerWaalsContact N-CG 3.33Å; G133-E148 PolarHBondContact N-OE2 2.79Å
134K95.5Very high93.3Very high71 Ų7154 Ų5431%0.30928%0.281SS..BIsolated β-bridgetrans-97.1140.9-166.1-73.2176.9-170.41770111.2R99 T102 T104 N136 C144 R147 E148R99-K134 VanDerWaalsContact O-CE 3.31Å; R99-K134 WeakPolarHBondContact O-CE 3.09Å; R99-K134 PolarHBondContact O-NZ 2.84Å; T102-K134 HydrophobicContact CG2-CB 3.91Å; T102-K134 HydrophobicContact CG2-CD 4.37Å; T102-K134 HydrophobicContact CG2-CG 4.28Å; T104-K134 HydrophobicContact CG2-CG 4.11Å; K134-N136 PolarHBondContact O-N 2.62Å; K134-C144 VanDerWaalsContact C-SG 3.56Å; K134-R147 PolarHBondContact O-NH2 3.11Å; K134-E148 PolarHBondContact N-OE1 3.37Å; K134-E148 VanDerWaalsContact O-OE1 3.13Å
135I96.4Very high94.4Very high42 Ų4247.6 Ų47.622%0.21526%0.255CS..PPolyproline II helixtrans-63.9130.6173.7-155.8176.2000110.4T102 A103 E139 L141 C144T102-I135 HydrophobicContact CG2-CG2 3.89Å; T102-I135 WeakPolarHBondContact CG2-O 3.3Å; A103-I135 HydrophobicContact CB-CG2 4.31Å; A103-I135 WeakPolarHBondContact O-CG2 3.1Å; A103-I135 PolarHBondContact O-N 2.93Å; I135-E139 WeakPolarHBondContact CD1-O 3.06Å; I135-E139 HydrophobicContact CG1-CB 4.12Å; I135-E139 HydrophobicContact CG1-CG 4.39Å; I135-E139 WeakPolarHBondContact CG1-O 3.16Å; I135-L141 HydrophobicContact CB-CD2 4.3Å; I135-L141 HydrophobicContact CD1-CD2 3.82Å; I135-L141 HydrophobicContact CD1-CG 3.82Å; I135-L141 HydrophobicContact CG1-CD2 4.39Å; I135-C144 HydrophobicContact CB-CB 4.45Å; I135-C144 HydrophobicContact CG1-CB 4.11Å
136N91.4Very high95.3Very high73 Ų7346.8 Ų46.839%0.3925%0.245SC..PPolyproline II helixtrans-73.7172.1168.2-74.6-48.5000110.7K134 E139 R147K134-N136 PolarHBondContact O-N 2.62Å; N136-E139 HydrophobicContact CB-CB 3.94Å; N136-E139 WeakPolarHBondContact CB-OE2 3.35Å; N136-E139 PolarHBondContact N-OE2 3.38Å; N136-R147 VanDerWaalsContact ND2-CZ 3.32Å; N136-R147 PolarHBondContact ND2-NE 2.83Å; N136-R147 PolarHBondContact ND2-NH2 2.97Å; N136-R147 VanDerWaalsContact ND2-NH2 3.16Å
137Q86.4Confident95.9Very high96 Ų9645 Ų4545%0.44923%0.232SC..THydrogen-bonded Turntrans-66.7136.4173.2172.4171-30.900110.2E139Q137-E139 PolarHBondContact O-N 3Å
138D89.6Confident96.2Very high157 Ų15739.5 Ų39.584%0.8421%0.212SC*.THydrogen-bonded Turntrans58.65.2178.8-51.2-39.8000115.5
139E96.3Very high96.3Very high41 Ų4138.7 Ų38.719%0.19221%0.209CC..  trans-76.6146.3170.3-175.4177.7-120.200110.4I135 N136 Q137 D143 C144 R147I135-E139 WeakPolarHBondContact CD1-O 3.06Å; I135-E139 HydrophobicContact CG1-CB 4.12Å; I135-E139 HydrophobicContact CG1-CG 4.39Å; I135-E139 WeakPolarHBondContact CG1-O 3.16Å; N136-E139 HydrophobicContact CB-CB 3.94Å; N136-E139 WeakPolarHBondContact CB-OE2 3.35Å; N136-E139 PolarHBondContact N-OE2 3.38Å; Q137-E139 PolarHBondContact O-N 3Å; E139-D143 HydrophobicContact CG-CB 4.15Å; E139-C144 HydrophobicContact CG-CB 4.04Å; E139-C144 VanDerWaalsContact OE2-CB 3.3Å; E139-C144 WeakPolarHBondContact OE2-CB 3.17Å; E139-R147 IonicContact OE1-CZ 3.01Å; E139-R147 IonicContact OE1-NE 2.73Å; E139-R147 PolarHBondContact OE1-NE 3.32Å; E139-R147 IonicContact OE1-NH2 3.68Å; E139-R147 PolarHBondContact OE1-NH2 3.42Å; E139-R147 IonicContact OE2-CZ 2.7Å; E139-R147 IonicContact OE2-NE 3.74Å; E139-R147 IonicContact OE2-NH2 2.7Å; E139-R147 PolarHBondContact OE2-NH2 3.19Å
140S97.9Very high96.2Very high44 Ų4441.3 Ų41.331%0.30822%0.219SC..  trans-87156171.889.90000111.4V142 D143 C144S140-V142 PolarHBondContact O-N 3.27Å; S140-V142 WeakPolarHBondContact OG-CG1 3.32Å; S140-V142 PolarHBondContact OG-N 3.45Å; S140-D143 VanDerWaalsContact CB-OD2 3.23Å; S140-D143 WeakPolarHBondContact CB-OD2 3.4Å; S140-D143 PolarHBondContact O-N 3.18Å; S140-D143 PolarHBondContact OG-N 2.85Å; S140-D143 PolarHBondContact OG-OD2 3.27Å; S140-C144 VanDerWaalsContact O-CB 3.3Å; S140-C144 WeakPolarHBondContact O-CB 3.3Å; S140-C144 PolarHBondContact O-N 3.07Å
141L98.4Very high96Very high25 Ų2543.4 Ų43.413%0.13123%0.229CC..Hα-helixtrans-62.2-26.2178.3-78.2170000113.3A103 I135 A145 L175 R177 F179A103-L141 HydrophobicContact CB-CD2 4.35Å; I135-L141 HydrophobicContact CB-CD2 4.3Å; I135-L141 HydrophobicContact CD1-CD2 3.82Å; I135-L141 HydrophobicContact CD1-CG 3.82Å; I135-L141 HydrophobicContact CG1-CD2 4.39Å; L141-A145 WeakPolarHBondContact O-CB 3.37Å; L141-A145 PolarHBondContact O-N 3.16Å; L141-L175 HydrophobicContact CD1-CD2 4.19Å; L141-R177 HydrophobicContact CD1-CB 4.06Å; L141-F179 HydrophobicContact CB-CE2 4.25Å; L141-F179 HydrophobicContact CB-CZ 4.24Å; L141-F179 VanDerWaalsContact O-CE2 3.27Å; L141-F179 WeakPolarHBondContact O-CE2 3.43Å
142V98.4Very high95.9Very high28 Ų2844.1 Ų44.117%0.1723%0.232CC..Hα-helixtrans-77.9-37.6178.1600000111.7S140 S146 I161 P163 F179S140-V142 PolarHBondContact O-N 3.27Å; S140-V142 WeakPolarHBondContact OG-CG1 3.32Å; S140-V142 PolarHBondContact OG-N 3.45Å; V142-S146 WeakPolarHBondContact O-CB 3.38Å; V142-S146 PolarHBondContact O-N 3.33Å; V142-S146 VanDerWaalsContact O-N 3.09Å; V142-S146 PolarHBondContact O-OG 3.15Å; V142-I161 HydrophobicContact CG2-CB 4.45Å; V142-I161 HydrophobicContact CG2-CD1 3.69Å; V142-I161 HydrophobicContact CG2-CG1 3.82Å; V142-I161 HydrophobicContact CG2-CG2 3.76Å; V142-P163 HydrophobicContact CG2-CG 4.28Å; V142-F179 HydrophobicContact CB-CE1 4.16Å; V142-F179 HydrophobicContact CB-CE2 4.37Å; V142-F179 HydrophobicContact CB-CZ 3.8Å; V142-F179 HydrophobicContact CG2-CE1 4.46Å; V142-F179 HydrophobicContact CG2-CZ 4.47Å
143D98.4Very high95.7Very high90 Ų9043.5 Ų43.548%0.48123%0.225SC..Hα-helixtrans-69.1-45.5175-52.7-44.3000110.2E139 S140 A145 S146 R147E139-D143 HydrophobicContact CG-CB 4.15Å; S140-D143 VanDerWaalsContact CB-OD2 3.23Å; S140-D143 WeakPolarHBondContact CB-OD2 3.4Å; S140-D143 PolarHBondContact O-N 3.18Å; S140-D143 PolarHBondContact OG-N 2.85Å; S140-D143 PolarHBondContact OG-OD2 3.27Å; D143-A145 PolarHBondContact O-N 2.65Å; D143-S146 PolarHBondContact O-N 3.29Å; D143-S146 VanDerWaalsContact O-N 3.08Å; D143-R147 WeakPolarHBondContact O-CB 3.4Å; D143-R147 PolarHBondContact O-N 2.99Å
144C98.5Very high95.5Very high0 Ų044.9 Ų44.90%024%0.24CC..Hα-helixtrans-51.6-53.6171.31710000111.7K134 I135 E139 S140 S146 R147 E148K134-C144 VanDerWaalsContact C-SG 3.56Å; I135-C144 HydrophobicContact CB-CB 4.45Å; I135-C144 HydrophobicContact CG1-CB 4.11Å; E139-C144 HydrophobicContact CG-CB 4.04Å; E139-C144 VanDerWaalsContact OE2-CB 3.3Å; E139-C144 WeakPolarHBondContact OE2-CB 3.17Å; S140-C144 VanDerWaalsContact O-CB 3.3Å; S140-C144 WeakPolarHBondContact O-CB 3.3Å; S140-C144 PolarHBondContact O-N 3.07Å; C144-S146 PolarHBondContact O-N 2.84Å; C144-R147 PolarHBondContact O-N 3.09Å; C144-E148 WeakPolarHBondContact O-CB 3.33Å; C144-E148 WeakPolarHBondContact O-CG 3.49Å; C144-E148 PolarHBondContact O-N 3.19Å
145A98.7Very high95.5Very high0 Ų042.5 Ų42.50%023%0.23CC..Hα-helixtrans-60.5-33.9179.100000112.6M107 L141 D143 V149 I161 F179M107-A145 HydrophobicContact CE-CB 4.46Å; M107-A145 WeakPolarHBondContact CE-O 3.41Å; M107-A145 HydrophobicContact CG-CB 4.33Å; L141-A145 WeakPolarHBondContact O-CB 3.37Å; L141-A145 PolarHBondContact O-N 3.16Å; D143-A145 PolarHBondContact O-N 2.65Å; A145-V149 VanDerWaalsContact O-CB 3.3Å; A145-V149 WeakPolarHBondContact O-CB 3.48Å; A145-V149 WeakPolarHBondContact O-CG2 3.37Å; A145-V149 PolarHBondContact O-N 3.18Å; A145-I161 HydrophobicContact CB-CD1 3.98Å; A145-F179 HydrophobicContact CB-CD2 3.69Å; A145-F179 HydrophobicContact CB-CE2 3.93Å
146S98.2Very high95.4Very high16 Ų1645 Ų4511%0.11224%0.244CC..Hα-helixtrans-73.7-45.5179.4-55.30000112.3V142 D143 C144 M150V142-S146 WeakPolarHBondContact O-CB 3.38Å; V142-S146 PolarHBondContact O-N 3.33Å; V142-S146 VanDerWaalsContact O-N 3.09Å; V142-S146 PolarHBondContact O-OG 3.15Å; D143-S146 PolarHBondContact O-N 3.29Å; D143-S146 VanDerWaalsContact O-N 3.08Å; C144-S146 PolarHBondContact O-N 2.84Å; S146-M150 PolarHBondContact O-N 3.43Å
147R97.6Very high95.6Very high46 Ų4641.8 Ų41.817%0.17423%0.227CC..Hα-helixtrans-60-53.8175.5175.3-177.555.570.43.7111.4K134 N136 E139 D143 C144 V149 M150 E151K134-R147 PolarHBondContact O-NH2 3.11Å; N136-R147 VanDerWaalsContact ND2-CZ 3.32Å; N136-R147 PolarHBondContact ND2-NE 2.83Å; N136-R147 PolarHBondContact ND2-NH2 2.97Å; N136-R147 VanDerWaalsContact ND2-NH2 3.16Å; E139-R147 IonicContact OE1-CZ 3.01Å; E139-R147 IonicContact OE1-NE 2.73Å; E139-R147 PolarHBondContact OE1-NE 3.32Å; E139-R147 IonicContact OE1-NH2 3.68Å; E139-R147 PolarHBondContact OE1-NH2 3.42Å; E139-R147 IonicContact OE2-CZ 2.7Å; E139-R147 IonicContact OE2-NE 3.74Å; E139-R147 IonicContact OE2-NH2 2.7Å; E139-R147 PolarHBondContact OE2-NH2 3.19Å; D143-R147 WeakPolarHBondContact O-CB 3.4Å; D143-R147 PolarHBondContact O-N 2.99Å; C144-R147 PolarHBondContact O-N 3.09Å; R147-V149 PolarHBondContact O-N 3.14Å; R147-M150 WeakPolarHBondContact O-CB 3.34Å; R147-M150 PolarHBondContact O-N 3.06Å; R147-M150 VanDerWaalsContact O-N 3.16Å; R147-E151 WeakPolarHBondContact CD-OE1 3.2Å; R147-E151 VanDerWaalsContact CG-CD 3.44Å; R147-E151 HydrophobicContact CG-CG 4.37Å; R147-E151 WeakPolarHBondContact CG-OE1 3.37Å; R147-E151 IonicContact CZ-OE2 3.28Å; R147-E151 IonicContact NH1-OE1 3.53Å; R147-E151 IonicContact NH1-OE2 2.69Å; R147-E151 PolarHBondContact NH1-OE2 3.01Å; R147-E151 WeakPolarHBondContact O-CG 3.42Å; R147-E151 PolarHBondContact O-N 2.78Å
148E97.7Very high96Very high19 Ų1939.7 Ų39.79%0.08923%0.226CC..Hα-helixtrans-65.5-38-174.5-61.1-89177.700111.7G133 K134 C144 M150 E151 E152G133-E148 WeakPolarHBondContact CA-OE2 3.5Å; G133-E148 VanDerWaalsContact N-CG 3.33Å; G133-E148 PolarHBondContact N-OE2 2.79Å; K134-E148 PolarHBondContact N-OE1 3.37Å; K134-E148 VanDerWaalsContact O-OE1 3.13Å; C144-E148 WeakPolarHBondContact O-CB 3.33Å; C144-E148 WeakPolarHBondContact O-CG 3.49Å; C144-E148 PolarHBondContact O-N 3.19Å; E148-M150 PolarHBondContact O-N 3.44Å; E148-E151 PolarHBondContact O-N 3.09Å; E148-E152 WeakPolarHBondContact O-CB 3.11Å; E148-E152 WeakPolarHBondContact O-CG 3.28Å; E148-E152 PolarHBondContact O-N 3.22Å
149V96.7Very high96.4Very high0 Ų039.5 Ų39.50%023%0.225CC..Hα-helixtrans-65.2-38.9174.7166.90000111.8M107 I109 P131 A145 R147 T153 L155 L157M107-V149 HydrophobicContact CB-CG2 3.85Å; M107-V149 HydrophobicContact CE-CB 4.16Å; M107-V149 HydrophobicContact CE-CG1 4.47Å; M107-V149 HydrophobicContact CE-CG2 4.06Å; M107-V149 HydrophobicContact CG-CG2 3.74Å; M107-V149 HydrophobicContact SD-CG1 4.44Å; M107-V149 HydrophobicContact SD-CG2 4.08Å; I109-V149 HydrophobicContact CD1-CG1 3.91Å; P131-V149 HydrophobicContact CB-CG2 4.12Å; A145-V149 VanDerWaalsContact O-CB 3.3Å; A145-V149 WeakPolarHBondContact O-CB 3.48Å; A145-V149 WeakPolarHBondContact O-CG2 3.37Å; A145-V149 PolarHBondContact O-N 3.18Å; R147-V149 PolarHBondContact O-N 3.14Å; V149-T153 WeakPolarHBondContact O-CB 3.3Å; V149-T153 PolarHBondContact O-N 3.41Å; V149-T153 PolarHBondContact O-OG1 2.95Å; V149-L155 HydrophobicContact CG1-CB 4.18Å; V149-L157 HydrophobicContact CG1-CD1 4.13Å; V149-L157 HydrophobicContact CG1-CG 4.48Å
150M95.4Very high96.4Very high83 Ų8343 Ų4341%0.40924%0.236SC..Hα-helixtrans-63.3-48173.2179.373.199.700110.8S146 R147 E148 G154 D156S146-M150 PolarHBondContact O-N 3.43Å; R147-M150 WeakPolarHBondContact O-CB 3.34Å; R147-M150 PolarHBondContact O-N 3.06Å; R147-M150 VanDerWaalsContact O-N 3.16Å; E148-M150 PolarHBondContact O-N 3.44Å; M150-G154 VanDerWaalsContact O-CA 3.3Å; M150-G154 WeakPolarHBondContact O-CA 3.44Å; M150-G154 PolarHBondContact O-N 3.34Å; M150-D156 HydrophobicContact CE-CB 3.52Å; M150-D156 HydrophobicContact SD-CB 4.42Å
151E94Very high96.4Very high53 Ų5341.6 Ų41.625%0.24823%0.225CC..Hα-helixtrans-60.5-48.1179.9-73.2165.4174.500112R147 E148 G193 T194R147-E151 WeakPolarHBondContact CD-OE1 3.2Å; R147-E151 VanDerWaalsContact CG-CD 3.44Å; R147-E151 HydrophobicContact CG-CG 4.37Å; R147-E151 WeakPolarHBondContact CG-OE1 3.37Å; R147-E151 IonicContact CZ-OE2 3.28Å; R147-E151 IonicContact NH1-OE1 3.53Å; R147-E151 IonicContact NH1-OE2 2.69Å; R147-E151 PolarHBondContact NH1-OE2 3.01Å; R147-E151 WeakPolarHBondContact O-CG 3.42Å; R147-E151 PolarHBondContact O-N 2.78Å; E148-E151 PolarHBondContact O-N 3.09Å; E151-G193 PolarHBondContact O-N 3.39Å; E151-T194 HydrophobicContact CB-CG2 4.34Å
152E94.9Very high96.4Very high14 Ų1444.6 Ų44.67%0.06524%0.241CC..Hα-helixtrans-80.2-25.3-176.7-69.3-173.214600114.6V120 P131 G132 E148 P192 I198 I201V120-E152 HydrophobicContact CG1-CB 4.5Å; P131-E152 WeakPolarHBondContact CA-OE2 3.48Å; P131-E152 WeakPolarHBondContact CB-OE2 3.49Å; G132-E152 PolarHBondContact N-OE2 3.24Å; E148-E152 WeakPolarHBondContact O-CB 3.11Å; E148-E152 WeakPolarHBondContact O-CG 3.28Å; E148-E152 PolarHBondContact O-N 3.22Å; E152-P192 WeakPolarHBondContact O-CA 3.14Å; E152-I198 HydrophobicContact CB-CD1 4.27Å; E152-I198 HydrophobicContact CB-CG1 3.93Å; E152-I198 HydrophobicContact CG-CD1 3.9Å; E152-I198 HydrophobicContact CG-CG1 3.95Å; E152-I201 WeakPolarHBondContact O-CD1 3.23Å
153T93.7Very high96.4Very high0 Ų047.2 Ų47.20%026%0.258CS..Hα-helixtrans-129.4-14.5-170.475.10000116.6L118 V120 P131 V149 L155 K191 I201L118-T153 HydrophobicContact CD2-CG2 4.12Å; V120-T153 HydrophobicContact CG1-CG2 3.85Å; P131-T153 HydrophobicContact CB-CG2 3.77Å; P131-T153 HydrophobicContact CG-CG2 4.19Å; V149-T153 WeakPolarHBondContact O-CB 3.3Å; V149-T153 PolarHBondContact O-N 3.41Å; V149-T153 PolarHBondContact O-OG1 2.95Å; T153-L155 VanDerWaalsContact C-N 3.29Å; T153-L155 WeakPolarHBondContact OG1-CB 3.3Å; T153-L155 WeakPolarHBondContact OG1-CG 3.44Å; T153-L155 PolarHBondContact OG1-N 3.36Å; T153-K191 CarbonylContact C-O 3.5Å; T153-K191 PolarHBondContact O-N 2.86Å; T153-K191 VanDerWaalsContact O-O 3.13Å; T153-I201 HydrophobicContact CG2-CG2 4.33Å
154G92.5Very high96.4Very high44 Ų4447.5 Ų47.545%0.45427%0.268SS..  trans73.117-173.100000114.1M150 K191M150-G154 VanDerWaalsContact O-CA 3.3Å; M150-G154 WeakPolarHBondContact O-CA 3.44Å; M150-G154 PolarHBondContact O-N 3.34Å; G154-K191 PolarHBondContact N-O 3.13Å
155L93.4Very high96.4Very high21 Ų2148 Ų4811%0.1127%0.27CS..  trans-98.2114178.6-65.5178.4000111.9I109 L118 V149 T153 L157 L190I109-L155 HydrophobicContact CD1-CD1 3.91Å; L118-L155 HydrophobicContact CD2-CD1 4.07Å; V149-L155 HydrophobicContact CG1-CB 4.18Å; T153-L155 VanDerWaalsContact C-N 3.29Å; T153-L155 WeakPolarHBondContact OG1-CB 3.3Å; T153-L155 WeakPolarHBondContact OG1-CG 3.44Å; T153-L155 PolarHBondContact OG1-N 3.36Å; L155-L157 HydrophobicContact CB-CD1 4.41Å; L155-L157 HydrophobicContact CB-CD2 4.48Å; L155-L157 HydrophobicContact CB-CG 4.06Å; L155-L157 HydrophobicContact CD1-CD1 4.35Å; L155-L157 PolarHBondContact O-N 2.86Å; L155-L190 HydrophobicContact CD1-CD2 3.7Å; L155-L190 HydrophobicContact CD2-CD2 3.79Å; L155-L190 HydrophobicContact CG-CD2 3.64Å
156D94.3Very high96.4Very high96 Ų9651.5 Ų51.551%0.51328%0.284SS..  trans-74.2104.4162.7-169.1-9.5000110.5M150 A158M150-D156 HydrophobicContact CE-CB 3.52Å; M150-D156 HydrophobicContact SD-CB 4.42Å; D156-A158 WeakPolarHBondContact OD1-CB 3.45Å; D156-A158 PolarHBondContact OD1-N 3.26Å
157L96.1Very high96.4Very high5 Ų550.9 Ų50.93%0.02628%0.279CS..  trans-115.512.1173.3-57.6-176.7000113M107 I109 V149 L155 N159 R160 I161 V181 L184M107-L157 HydrophobicContact CE-CB 3.93Å; M107-L157 HydrophobicContact SD-CB 3.83Å; M107-L157 HydrophobicContact SD-CD1 3.82Å; M107-L157 HydrophobicContact SD-CG 4.46Å; I109-L157 HydrophobicContact CD1-CD1 3.65Å; I109-L157 HydrophobicContact CG1-CD1 3.85Å; I109-L157 HydrophobicContact CG2-CD1 4.37Å; V149-L157 HydrophobicContact CG1-CD1 4.13Å; V149-L157 HydrophobicContact CG1-CG 4.48Å; L155-L157 HydrophobicContact CB-CD1 4.41Å; L155-L157 HydrophobicContact CB-CD2 4.48Å; L155-L157 HydrophobicContact CB-CG 4.06Å; L155-L157 HydrophobicContact CD1-CD1 4.35Å; L155-L157 PolarHBondContact O-N 2.86Å; L157-N159 PolarHBondContact O-N 3.18Å; L157-R160 PolarHBondContact O-N 3.08Å; L157-I161 PolarHBondContact O-N 2.88Å; L157-V181 HydrophobicContact CD1-CG1 4.4Å; L157-L184 HydrophobicContact CD2-CD1 3.85Å; L157-L184 HydrophobicContact CD2-CD2 4.39Å; L157-L184 HydrophobicContact CD2-CG 4.36Å
158A96.1Very high96.4Very high51 Ų5151 Ų5142%0.42128%0.283SS..THydrogen-bonded Turntrans-59.3-32.1-179.100000112.3D156 I161D156-A158 WeakPolarHBondContact OD1-CB 3.45Å; D156-A158 PolarHBondContact OD1-N 3.26Å; A158-I161 WeakPolarHBondContact O-CG2 3.4Å
159N96.7Very high96.4Very high153 Ų15352.6 Ų52.682%0.81829%0.289SS*.THydrogen-bonded Turntrans-86.2-1.5175.5-66.9-60.6000114.4L157L157-N159 PolarHBondContact O-N 3.18Å
160R97.2Very high96.4Very high114 Ų11460.5 Ų60.543%0.4332%0.32SS..THydrogen-bonded Turntrans-116.6-18.5-179.2-55.1-160.875.2-163.1-3.7113.9L157 V181 E182 G183L157-R160 PolarHBondContact O-N 3.08Å; R160-V181 HydrophobicContact CB-CG1 3.73Å; R160-E182 PolarHBondContact NH2-O 2.82Å; R160-G183 PolarHBondContact NH1-O 2.81Å; R160-G183 PolarHBondContact NH2-O 3.15Å
161I98Very high96.2Very high15 Ų1557.1 Ų57.18%0.07730%0.303CS..  trans-70.4137.5175.8-171.1160.5000111.2M107 V142 A145 L157 A158 F179 V181M107-I161 HydrophobicContact CE-CB 4.23Å; M107-I161 HydrophobicContact CE-CD1 3.63Å; M107-I161 HydrophobicContact CE-CG1 4.47Å; M107-I161 HydrophobicContact CG-CD1 4.17Å; M107-I161 HydrophobicContact SD-CD1 4.15Å; V142-I161 HydrophobicContact CG2-CB 4.45Å; V142-I161 HydrophobicContact CG2-CD1 3.69Å; V142-I161 HydrophobicContact CG2-CG1 3.82Å; V142-I161 HydrophobicContact CG2-CG2 3.76Å; A145-I161 HydrophobicContact CB-CD1 3.98Å; L157-I161 PolarHBondContact O-N 2.88Å; A158-I161 WeakPolarHBondContact O-CG2 3.4Å; I161-F179 HydrophobicContact CD1-CB 3.55Å; I161-F179 HydrophobicContact CD1-CD1 4.01Å; I161-F179 HydrophobicContact CD1-CD2 3.68Å; I161-F179 HydrophobicContact CD1-CE2 4.35Å; I161-F179 HydrophobicContact CD1-CG 3.48Å; I161-F179 VanDerWaalsContact CD1-CG 3.48Å; I161-F179 HydrophobicContact CG1-CB 3.77Å; I161-F179 HydrophobicContact CG1-CD1 4.04Å; I161-F179 HydrophobicContact CG1-CG 3.9Å; I161-V181 HydrophobicContact CB-CG2 4.44Å
162L97.9Very high96Very high88 Ų8858.2 Ų58.246%0.46133%0.328SS..  trans-111.4116.6175.7-65.7178.3000109.3S164 L165L162-S164 PolarHBondContact O-N 3.19Å; L162-L165 HydrophobicContact CB-CB 3.84Å; L162-L165 HydrophobicContact CD1-CB 4.47Å; L162-L165 HydrophobicContact CD1-CD2 4.28Å; L162-L165 PolarHBondContact O-N 3Å
163P98.2Very high95.8Very high83 Ų8360.6 Ų60.654%0.53936%0.357SS..THydrogen-bonded Turntrans-56.6-20.2-176.8-27.533.2000115.5V142 Y166V142-P163 HydrophobicContact CG2-CG 4.28Å; P163-Y166 WeakPolarHBondContact O-CD1 3.11Å; P163-Y166 WeakPolarHBondContact O-CE1 3.47Å
164S98Very high95.9Very high97 Ų9761.2 Ų61.268%0.67836%0.36SS*.THydrogen-bonded Turntrans-96.9-8.5179.155.40000114.8L162L162-S164 PolarHBondContact O-N 3.19Å
165L98.6Very high96.1Very high9 Ų960.6 Ų60.65%0.04735%0.347CS..  trans-10779.4-174.1-165.976.5000110.5L162 F179 I180 Y242 P252 L256L162-L165 HydrophobicContact CB-CB 3.84Å; L162-L165 HydrophobicContact CD1-CB 4.47Å; L162-L165 HydrophobicContact CD1-CD2 4.28Å; L162-L165 PolarHBondContact O-N 3Å; L165-F179 CarbonylContact O-C 3.49Å; L165-F179 WeakPolarHBondContact O-CA 3.5Å; L165-I180 HydrophobicContact CD2-CB 3.94Å; L165-I180 HydrophobicContact CD2-CG2 4.3Å; L165-I180 HydrophobicContact CG-CB 4.08Å; L165-I180 PolarHBondContact O-N 3.1Å; L165-Y242 HydrophobicContact CD1-CE2 4.37Å; L165-P252 HydrophobicContact CD1-CB 3.69Å; L165-P252 HydrophobicContact CD2-CB 3.78Å; L165-P252 HydrophobicContact CG-CB 4.43Å; L165-L256 HydrophobicContact CD1-CB 4.05Å; L165-L256 HydrophobicContact CD1-CD2 3.92Å
166Y98.7Very high96.3Very high75 Ų7562.4 Ų62.429%0.29435%0.352SS..EExtended strand (participates in β ladder)trans-141.9162.8-17862.7-93.2000113.4P163 D168 R177 A178 F179 L256P163-Y166 WeakPolarHBondContact O-CD1 3.11Å; P163-Y166 WeakPolarHBondContact O-CE1 3.47Å; Y166-D168 WeakPolarHBondContact CD2-OD1 3.42Å; Y166-D168 WeakPolarHBondContact CE2-OD2 3.46Å; Y166-R177 HydrophobicContact CD2-CG 3.87Å; Y166-R177 VanDerWaalsContact CE2-NH2 3.34Å; Y166-R177 HydrophobicContact CG-CG 3.91Å; Y166-R177 VanDerWaalsContact CZ-CZ 3.47Å; Y166-R177 PolarHBondContact OH-NH2 2.99Å; Y166-A178 CarbonylContact C-O 3.59Å; Y166-A178 VanDerWaalsContact CA-O 3.24Å; Y166-A178 WeakPolarHBondContact CA-O 3.48Å; Y166-A178 WeakPolarHBondContact CB-O 3.47Å; Y166-F179 HydrophobicContact CD1-CD1 4.28Å; Y166-F179 AromaticContact CD1-CE1 4Å; Y166-F179 HydrophobicContact CD1-CE1 4Å; Y166-F179 HydrophobicContact CG-CD1 4.42Å; Y166-F179 HydrophobicContact CG-CE1 4.36Å; Y166-L256 WeakPolarHBondContact O-CD2 3.34Å
167I98.6Very high96.6Very high3 Ų360.1 Ų60.12%0.01534%0.336CS..EExtended strand (participates in β ladder)trans-116.4123.9169.2-60.9175.7000107.8I108 R169 A178 I180 F235 Q238 L256I108-I167 HydrophobicContact CD1-CD1 4.14Å; I167-R169 HydrophobicContact CG2-CG 4.39Å; I167-R169 VanDerWaalsContact CG2-NH1 3.27Å; I167-A178 PolarHBondContact N-O 2.62Å; I167-A178 PolarHBondContact O-N 3.32Å; I167-I180 HydrophobicContact CD1-CD1 4.17Å; I167-I180 HydrophobicContact CG1-CD1 4.26Å; I167-F235 HydrophobicContact CB-CD1 4.04Å; I167-F235 HydrophobicContact CB-CE1 4.47Å; I167-F235 HydrophobicContact CG2-CD1 3.7Å; I167-F235 HydrophobicContact CG2-CE1 4.19Å; I167-F235 WeakPolarHBondContact O-CE1 3.44Å; I167-Q238 HydrophobicContact CD1-CB 4.25Å; I167-Q238 HydrophobicContact CD1-CG 4Å; I167-L256 HydrophobicContact CG1-CD1 3.94Å
168D98.2Very high96.7Very high47 Ų4759.9 Ų59.925%0.25134%0.335SS..EExtended strand (participates in β ladder)trans-95.7138.5172.5-81.4-7000111.4Y166 L175 R177Y166-D168 WeakPolarHBondContact CD2-OD1 3.42Å; Y166-D168 WeakPolarHBondContact CE2-OD2 3.46Å; D168-L175 HydrophobicContact CB-CD1 3.99Å; D168-R177 WeakPolarHBondContact OD1-CA 3.42Å; D168-R177 VanDerWaalsContact OD1-CB 3.23Å; D168-R177 WeakPolarHBondContact OD1-CB 3.48Å; D168-R177 VanDerWaalsContact OD1-CG 3.25Å; D168-R177 WeakPolarHBondContact OD1-CG 3Å; D168-R177 IonicContact OD1-CZ 3.8Å; D168-R177 IonicContact OD1-NE 3.93Å; D168-R177 PolarHBondContact OD1-NE 2.86Å; D168-R177 IonicContact OD1-NH2 2.77Å; D168-R177 IonicContact OD2-CZ 3.5Å; D168-R177 IonicContact OD2-NE 2.81Å; D168-R177 PolarHBondContact OD2-NE 3.33Å; D168-R177 IonicContact OD2-NH2 3.35Å; D168-R177 PolarHBondContact OD2-NH2 2.91Å
169R97.5Very high96.8Very high54 Ų5457.6 Ų57.620%0.20432%0.316CS..EExtended strand (participates in β ladder)trans-139.7145.1172.2-67.2-63.5-177.4-95.7-0.8111.3I167 R176 P234 F235I167-R169 HydrophobicContact CG2-CG 4.39Å; I167-R169 VanDerWaalsContact CG2-NH1 3.27Å; R169-R176 PolarHBondContact N-O 2.87Å; R169-R176 PolarHBondContact O-N 3.5Å; R169-P234 HydrophobicContact CB-CB 4.24Å; R169-P234 HydrophobicContact CG-CB 3.89Å; R169-P234 PolarHBondContact NE-O 3.44Å; R169-F235 HydrophobicContact CB-CE1 3.91Å; R169-F235 HydrophobicContact CB-CE2 4.4Å; R169-F235 HydrophobicContact CB-CZ 3.79Å; R169-F235 HydrophobicContact CG-CD1 3.82Å; R169-F235 HydrophobicContact CG-CE1 3.55Å; R169-F235 HydrophobicContact CG-CE2 4.38Å; R169-F235 HydrophobicContact CG-CG 4.34Å; R169-F235 HydrophobicContact CG-CZ 3.86Å
170Y95.9Very high96.9Very high166 Ų16650.4 Ų50.465%0.65128%0.277SS*.EExtended strand (participates in β ladder)trans-101.1117.9170.1-73.9-93.8000109.5T174 L175Y170-T174 WeakPolarHBondContact CA-O 3.28Å; Y170-L175 HydrophobicContact CD1-CB 4.36Å; Y170-L175 HydrophobicContact CE1-CB 3.86Å; Y170-L175 HydrophobicContact CE1-CD1 4.44Å; Y170-L175 HydrophobicContact CE2-CD1 4.01Å
171I92.6Very high97Very high11 Ų1145.1 Ų45.16%0.05626%0.258CS..EExtended strand (participates in β ladder)trans-120.3114.2177.3-52.7-171000108.2G173 T174 R176 Y230 L231 P234I171-G173 PolarHBondContact O-N 3.16Å; I171-T174 PolarHBondContact N-O 3.01Å; I171-T174 PolarHBondContact O-N 3.13Å; I171-R176 HydrophobicContact CG1-CG 4.48Å; I171-Y230 HydrophobicContact CG2-CD1 4.35Å; I171-Y230 HydrophobicContact CG2-CE1 3.39Å; I171-Y230 WeakPolarHBondContact CG2-OH 3.26Å; I171-L231 HydrophobicContact CD1-CD2 4.38Å; I171-L231 HydrophobicContact CG2-CD2 4.46Å; I171-P234 HydrophobicContact CD1-CB 4.42Å; I171-P234 HydrophobicContact CD1-CG 3.72Å; I171-P234 HydrophobicContact CG1-CG 4.16Å
172G89Confident97Very high76 Ų7645.8 Ų45.878%0.78426%0.26SS*.THydrogen-bonded Turntrans66.722.4-177.300000114.3T174G172-T174 VanDerWaalsContact C-N 3.32Å
173G91.4Very high96.9Very high64 Ų6442.9 Ų42.966%0.6625%0.251SS*.THydrogen-bonded Turntrans89.2-11.6-173.800000114.5I171I171-G173 PolarHBondContact O-N 3.16Å
174T94.7Very high96.8Very high13 Ų1339.6 Ų39.68%0.0823%0.229CC..EExtended strand (participates in β ladder)trans-90130.2-179.8-54.10000111G100 T102 Y170 I171 G172G100-T174 PolarHBondContact O-OG1 2.83Å; T102-T174 WeakPolarHBondContact O-CG2 3.38Å; Y170-T174 WeakPolarHBondContact CA-O 3.28Å; I171-T174 PolarHBondContact N-O 3.01Å; I171-T174 PolarHBondContact O-N 3.13Å; G172-T174 VanDerWaalsContact C-N 3.32Å
175L97.8Very high96.6Very high31 Ų3138.1 Ų38.116%0.16222%0.217CC..EExtended strand (participates in β ladder)trans-66.3132.1171.8174.163.6000110.4A103 T104 L141 D168 Y170A103-L175 VanDerWaalsContact CA-O 3.28Å; A103-L175 WeakPolarHBondContact CA-O 3.32Å; A103-L175 HydrophobicContact CB-CB 4.09Å; A103-L175 HydrophobicContact CB-CD2 4.41Å; A103-L175 HydrophobicContact CB-CG 4.45Å; T104-L175 PolarHBondContact N-O 2.75Å; L141-L175 HydrophobicContact CD1-CD2 4.19Å; D168-L175 HydrophobicContact CB-CD1 3.99Å; Y170-L175 HydrophobicContact CD1-CB 4.36Å; Y170-L175 HydrophobicContact CE1-CB 3.86Å; Y170-L175 HydrophobicContact CE1-CD1 4.44Å; Y170-L175 HydrophobicContact CE2-CD1 4.01Å
176R98Very high96.2Very high60 Ų6041.8 Ų41.823%0.22623%0.23CC..EExtended strand (participates in β ladder)trans-127.2113.2170.9-54.8-161.8178.2-109.2-2.9109T104 R169 I171 F235T104-R176 WeakPolarHBondContact OG1-CA 3.41Å; T104-R176 WeakPolarHBondContact OG1-CB 3.49Å; T104-R176 VanDerWaalsContact OG1-CG 3.28Å; T104-R176 WeakPolarHBondContact OG1-CG 3.47Å; R169-R176 PolarHBondContact N-O 2.87Å; R169-R176 PolarHBondContact O-N 3.5Å; I171-R176 HydrophobicContact CG1-CG 4.48Å; R176-F235 HydrophobicContact CB-CZ 4Å
177R98.6Very high95.1Very high48 Ų4844.2 Ų44.218%0.18125%0.254CS..EExtended strand (participates in β ladder)trans-97.4128.4174.9-178.9161-67-178.3-2.3109.5T104 S106 L141 Y166 D168 F179T104-R177 PolarHBondContact O-N 2.83Å; S106-R177 PolarHBondContact N-O 2.69Å; S106-R177 PolarHBondContact OG-O 2.92Å; L141-R177 HydrophobicContact CD1-CB 4.06Å; Y166-R177 HydrophobicContact CD2-CG 3.87Å; Y166-R177 VanDerWaalsContact CE2-NH2 3.34Å; Y166-R177 HydrophobicContact CG-CG 3.91Å; Y166-R177 VanDerWaalsContact CZ-CZ 3.47Å; Y166-R177 PolarHBondContact OH-NH2 2.99Å; D168-R177 WeakPolarHBondContact OD1-CA 3.42Å; D168-R177 VanDerWaalsContact OD1-CB 3.23Å; D168-R177 WeakPolarHBondContact OD1-CB 3.48Å; D168-R177 VanDerWaalsContact OD1-CG 3.25Å; D168-R177 WeakPolarHBondContact OD1-CG 3Å; D168-R177 IonicContact OD1-CZ 3.8Å; D168-R177 IonicContact OD1-NE 3.93Å; D168-R177 PolarHBondContact OD1-NE 2.86Å; D168-R177 IonicContact OD1-NH2 2.77Å; D168-R177 IonicContact OD2-CZ 3.5Å; D168-R177 IonicContact OD2-NE 2.81Å; D168-R177 PolarHBondContact OD2-NE 3.33Å; D168-R177 IonicContact OD2-NH2 3.35Å; D168-R177 PolarHBondContact OD2-NH2 2.91Å; R177-F179 HydrophobicContact CG-CD2 4.08Å; R177-F179 HydrophobicContact CG-CE1 4.44Å; R177-F179 HydrophobicContact CG-CE2 3.65Å; R177-F179 HydrophobicContact CG-CZ 3.88Å
178A98.8Very high93.6Very high0 Ų045.7 Ų45.70%026%0.264CS..EExtended strand (participates in β ladder)trans-121.3102.5178.300000109.8S106 I108 L130 Y166 I167 F235S106-A178 CarbonylContact O-C 3.53Å; S106-A178 WeakPolarHBondContact O-CA 3.43Å; I108-A178 HydrophobicContact CD1-CB 3.72Å; I108-A178 HydrophobicContact CG1-CB 3.93Å; L130-A178 HydrophobicContact CD1-CB 3.63Å; Y166-A178 CarbonylContact C-O 3.59Å; Y166-A178 VanDerWaalsContact CA-O 3.24Å; Y166-A178 WeakPolarHBondContact CA-O 3.48Å; Y166-A178 WeakPolarHBondContact CB-O 3.47Å; I167-A178 PolarHBondContact N-O 2.62Å; I167-A178 PolarHBondContact O-N 3.32Å; A178-F235 HydrophobicContact CB-CD1 3.74Å; A178-F235 HydrophobicContact CB-CE1 3.45Å; A178-F235 VanDerWaalsContact CB-CE1 3.45Å; A178-F235 HydrophobicContact CB-CZ 4.07Å
179F98.9Very high92.5Very high3 Ų355.2 Ų55.21%0.01330%0.296CS..EExtended strand (participates in β ladder)trans-74141.6175.9-62.6-91.8000110.4S106 M107 I108 L141 V142 A145 I161 L165 Y166 R177S106-F179 PolarHBondContact O-N 3.34Å; M107-F179 CarbonylContact C-O 3.55Å; M107-F179 VanDerWaalsContact CA-O 3.28Å; M107-F179 WeakPolarHBondContact CA-O 3.41Å; M107-F179 HydrophobicContact CG-CB 4.48Å; I108-F179 PolarHBondContact N-O 2.85Å; L141-F179 HydrophobicContact CB-CE2 4.25Å; L141-F179 HydrophobicContact CB-CZ 4.24Å; L141-F179 VanDerWaalsContact O-CE2 3.27Å; L141-F179 WeakPolarHBondContact O-CE2 3.43Å; V142-F179 HydrophobicContact CB-CE1 4.16Å; V142-F179 HydrophobicContact CB-CE2 4.37Å; V142-F179 HydrophobicContact CB-CZ 3.8Å; V142-F179 HydrophobicContact CG2-CE1 4.46Å; V142-F179 HydrophobicContact CG2-CZ 4.47Å; A145-F179 HydrophobicContact CB-CD2 3.69Å; A145-F179 HydrophobicContact CB-CE2 3.93Å; I161-F179 HydrophobicContact CD1-CB 3.55Å; I161-F179 HydrophobicContact CD1-CD1 4.01Å; I161-F179 HydrophobicContact CD1-CD2 3.68Å; I161-F179 HydrophobicContact CD1-CE2 4.35Å; I161-F179 HydrophobicContact CD1-CG 3.48Å; I161-F179 VanDerWaalsContact CD1-CG 3.48Å; I161-F179 HydrophobicContact CG1-CB 3.77Å; I161-F179 HydrophobicContact CG1-CD1 4.04Å; I161-F179 HydrophobicContact CG1-CG 3.9Å; L165-F179 CarbonylContact O-C 3.49Å; L165-F179 WeakPolarHBondContact O-CA 3.5Å; Y166-F179 HydrophobicContact CD1-CD1 4.28Å; Y166-F179 AromaticContact CD1-CE1 4Å; Y166-F179 HydrophobicContact CD1-CE1 4Å; Y166-F179 HydrophobicContact CG-CD1 4.42Å; Y166-F179 HydrophobicContact CG-CE1 4.36Å; R177-F179 HydrophobicContact CG-CD2 4.08Å; R177-F179 HydrophobicContact CG-CE1 4.44Å; R177-F179 HydrophobicContact CG-CE2 3.65Å; R177-F179 HydrophobicContact CG-CZ 3.88Å
180I98.8Very high91.9Very high2 Ų254.4 Ų54.41%0.0130%0.296CS..EExtended strand (participates in β ladder)trans-94.5128.6179.6-58.1171.7000108.8I108 I110 L165 I167 E182 Y242 L256I108-I180 HydrophobicContact CB-CG1 4.43Å; I108-I180 HydrophobicContact CD1-CG1 4.33Å; I110-I180 HydrophobicContact CD1-CG2 3.65Å; I110-I180 HydrophobicContact CG1-CG2 4.32Å; L165-I180 HydrophobicContact CD2-CB 3.94Å; L165-I180 HydrophobicContact CD2-CG2 4.3Å; L165-I180 HydrophobicContact CG-CB 4.08Å; L165-I180 PolarHBondContact O-N 3.1Å; I167-I180 HydrophobicContact CD1-CD1 4.17Å; I167-I180 HydrophobicContact CG1-CD1 4.26Å; I180-E182 HydrophobicContact CG2-CG 4.14Å; I180-Y242 HydrophobicContact CD1-CD1 4.09Å; I180-Y242 HydrophobicContact CD1-CD2 4.12Å; I180-Y242 HydrophobicContact CD1-CE1 3.99Å; I180-Y242 HydrophobicContact CD1-CE2 3.99Å; I180-Y242 HydrophobicContact CD1-CG 4.17Å; I180-Y242 HydrophobicContact CG2-CE1 3.87Å; I180-L256 HydrophobicContact CD1-CD1 4.23Å
181V98.4Very high91.4Very high3 Ų354 Ų542%0.01830%0.297CS..EExtended strand (participates in β ladder)trans-125.1124.2170.6-172.30000108.6M107 I108 I110 L157 R160 I161 L184M107-V181 HydrophobicContact CG-CG2 4.39Å; M107-V181 HydrophobicContact SD-CG2 3.57Å; M107-V181 VanDerWaalsContact SD-CG2 3.57Å; I108-V181 PolarHBondContact O-N 2.86Å; I110-V181 PolarHBondContact N-O 3.4Å; L157-V181 HydrophobicContact CD1-CG1 4.4Å; R160-V181 HydrophobicContact CB-CG1 3.73Å; I161-V181 HydrophobicContact CB-CG2 4.44Å; V181-L184 HydrophobicContact CB-CD2 4.42Å; V181-L184 HydrophobicContact CG1-CD2 3.68Å
182E97.8Very high90.9Very high29 Ų2955.8 Ų55.814%0.13631%0.31CS..EExtended strand (participates in β ladder)trans-104.1152.6-173.2-64-178.2171.700113.2I110 H114 R160 I180 Y242 R246I110-E182 HydrophobicContact CD1-CG 4.37Å; H114-E182 IonicContact NE2-OE2 2.78Å; R160-E182 PolarHBondContact NH2-O 2.82Å; I180-E182 HydrophobicContact CG2-CG 4.14Å; E182-Y242 WeakPolarHBondContact OE1-CE1 3.49Å; E182-Y242 PolarHBondContact OE1-OH 3.11Å; E182-R246 VanDerWaalsContact CD-NE 3.31Å; E182-R246 VanDerWaalsContact OE1-CD 3.31Å; E182-R246 WeakPolarHBondContact OE1-CD 3.44Å; E182-R246 WeakPolarHBondContact OE1-CG 3.33Å; E182-R246 IonicContact OE1-CZ 2.77Å; E182-R246 IonicContact OE1-NE 3.92Å; E182-R246 PolarHBondContact OE1-NE 3.21Å; E182-R246 IonicContact OE1-NH2 3.31Å; E182-R246 IonicContact OE2-CZ 3.17Å; E182-R246 VanDerWaalsContact OE2-CZ 3.28Å; E182-R246 IonicContact OE2-NE 2.82Å; E182-R246 PolarHBondContact OE2-NE 3.41Å; E182-R246 IonicContact OE2-NH2 3.73Å; E182-R246 PolarHBondContact OE2-NH2 3.37Å
183G96.2Very high90.4Very high26 Ų2655.3 Ų55.327%0.26831%0.305SS..EExtended strand (participates in β ladder)trans71.552.6167.100000112.6I110 R160I110-G183 PolarHBondContact O-N 3.17Å; R160-G183 PolarHBondContact NH1-O 2.81Å; R160-G183 PolarHBondContact NH2-O 3.15Å
184L95.9Very high89.7Confident14 Ų1454.4 Ų54.47%0.07329%0.287CS..EExtended strand (participates in β ladder)trans-99132.2168.6-85-56.6000110.2I109 I110 D111 E112 L157 V181 W203I109-L184 HydrophobicContact CG2-CB 3.91Å; I109-L184 HydrophobicContact CG2-CD2 3.82Å; I109-L184 HydrophobicContact CG2-CG 3.62Å; I110-L184 PolarHBondContact O-N 3.08Å; I110-L184 VanDerWaalsContact O-N 3.11Å; D111-L184 CarbonylContact C-O 3.54Å; D111-L184 VanDerWaalsContact CA-O 3.25Å; D111-L184 WeakPolarHBondContact CA-O 3.43Å; E112-L184 PolarHBondContact N-O 2.97Å; L157-L184 HydrophobicContact CD2-CD1 3.85Å; L157-L184 HydrophobicContact CD2-CD2 4.39Å; L157-L184 HydrophobicContact CD2-CG 4.36Å; V181-L184 HydrophobicContact CB-CD2 4.42Å; V181-L184 HydrophobicContact CG1-CD2 3.68Å; L184-W203 HydrophobicContact CB-CH2 3.98Å; L184-W203 HydrophobicContact CB-CZ2 4.5Å
185P94.3Very high88.9Confident67 Ų6758.8 Ų58.844%0.43531%0.305SS..  trans-61.1138.1174.3-2233.1000112.1E112 T187 S188E112-P185 WeakPolarHBondContact OE1-CA 3.48Å; P185-T187 PolarHBondContact O-N 2.93Å; P185-T187 VanDerWaalsContact O-N 3.08Å; P185-S188 PolarHBondContact O-N 3.11Å
186R89.9Confident88.1Confident85 Ų8559.4 Ų59.432%0.32131%0.308SS..THydrogen-bonded Turntrans-62.8-16.2177.7-63.9-175.8-165.8169.63.9114.8D111 E112 M116 W203D111-R186 HydrophobicContact CB-CG 3.93Å; D111-R186 IonicContact OD2-CZ 2.91Å; D111-R186 IonicContact OD2-NE 2.82Å; D111-R186 PolarHBondContact OD2-NE 2.86Å; D111-R186 IonicContact OD2-NH2 2.97Å; D111-R186 PolarHBondContact OD2-NH2 3.36Å; E112-R186 PolarHBondContact OE1-N 3.19Å; E112-R186 WeakPolarHBondContact OE2-CG 3.39Å; E112-R186 PolarHBondContact OE2-N 2.53Å; E112-R186 VanDerWaalsContact OE2-N 3.17Å; M116-R186 VanDerWaalsContact SD-CZ 3.58Å; R186-W203 HydrophobicContact CG-CD2 4.38Å; R186-W203 PolarHBondContact O-NE1 3.18Å
187T75.4Confident87.4Confident127 Ų12760.4 Ų60.478%0.77932%0.315SS*.THydrogen-bonded Turntrans-103.920.8-172.852.80000114.4P185P185-T187 PolarHBondContact O-N 2.93Å; P185-T187 VanDerWaalsContact O-N 3.08Å
188S67.3Low86.9Confident34 Ų3458.9 Ų58.924%0.23831%0.311CS..  trans-53.9144.8169.344.10000111.4P185 L190P185-S188 PolarHBondContact O-N 3.11Å; S188-L190 PolarHBondContact O-N 3.25Å; S188-L190 WeakPolarHBondContact OG-CD2 3.4Å; S188-L190 WeakPolarHBondContact OG-CG 3.37Å
189R76.5Confident86.4Confident246 Ų24664.5 Ų64.593%0.92834%0.337SS*.  trans-76.170.7177.1-72.9-177.3173.7-175.4-0.5110.3K191R189-K191 PolarHBondContact O-N 2.99Å
190L84.9Confident86Confident38 Ų3865.6 Ų65.620%0.19935%0.347CS..  trans-71.7123.5-177.6-60.4169.8000110.8L118 L155 S188 I201L118-L190 HydrophobicContact CD1-CD1 3.5Å; L118-L190 VanDerWaalsContact CD1-CD1 3.5Å; L118-L190 HydrophobicContact CD2-CD1 4.07Å; L118-L190 HydrophobicContact CD2-CD2 3.97Å; L118-L190 HydrophobicContact CG-CD1 4.41Å; L155-L190 HydrophobicContact CD1-CD2 3.7Å; L155-L190 HydrophobicContact CD2-CD2 3.79Å; L155-L190 HydrophobicContact CG-CD2 3.64Å; S188-L190 PolarHBondContact O-N 3.25Å; S188-L190 WeakPolarHBondContact OG-CD2 3.4Å; S188-L190 WeakPolarHBondContact OG-CG 3.37Å; L190-I201 HydrophobicContact CB-CD1 4.06Å; L190-I201 HydrophobicContact CB-CG2 4.32Å; L190-I201 HydrophobicContact CD1-CG2 3.91Å
191K83.9Confident85.8Confident156 Ų15667.1 Ų67.168%0.67835%0.354SS*.  trans-150.4137.6170.6-67-173.3178.9-177.90108T153 G154 R189T153-K191 CarbonylContact C-O 3.5Å; T153-K191 PolarHBondContact O-N 2.86Å; T153-K191 VanDerWaalsContact O-O 3.13Å; G154-K191 PolarHBondContact N-O 3.13Å; R189-K191 PolarHBondContact O-N 2.99Å
192P82.7Confident85.6Confident49 Ų4969.8 Ų69.832%0.31837%0.371SS..  trans-64.5142.9170.428.8-33.2000110.3E152 T194 I198E152-P192 WeakPolarHBondContact O-CA 3.14Å; P192-T194 VanDerWaalsContact C-N 3.34Å; P192-I198 HydrophobicContact CB-CB 3.95Å; P192-I198 HydrophobicContact CB-CG1 4.35Å; P192-I198 HydrophobicContact CG-CB 4.29Å
193G78.4Confident85.5Confident66 Ų6670.2 Ų70.268%0.6837%0.371SS*.SBendtrans-79.8-20.416900000112.5E151E151-G193 PolarHBondContact O-N 3.39Å
194T76.5Confident85.4Confident45 Ų4569.9 Ų69.928%0.27636%0.362SS..SBendtrans-96.8151.3-178.554.40000112.6E151 P192 E197E151-T194 HydrophobicContact CB-CG2 4.34Å; P192-T194 VanDerWaalsContact C-N 3.34Å; T194-E197 WeakPolarHBondContact CB-OE2 3.19Å; T194-E197 WeakPolarHBondContact CG2-OE2 3.19Å; T194-E197 WeakPolarHBondContact OG1-CB 3.32Å; T194-E197 PolarHBondContact OG1-OE2 3.24Å
195K77.8Confident85.4Confident105 Ų10569.7 Ų69.746%0.45736%0.364SS..SBendtrans-88.9139.9179.1-166.4-168.6174.8-173.10109.6D54 Y55 E197D54-K195 HydrophobicContact CB-CD 4.32Å; D54-K195 PolarHBondContact O-NZ 2.81Å; Y55-K195 HydrophobicContact CE1-CD 4.46Å; K195-E197 PolarHBondContact O-N 3.22Å
196N80.5Confident85.4Confident44 Ų4466.9 Ų66.924%0.23535%0.345CS..SBendtrans52.213.2174.7-51.8-34.9000116.1D54 F123 Y124D54-N196 WeakPolarHBondContact OD1-CB 3.41Å; D54-N196 PolarHBondContact OD1-ND2 3.18Å; F123-N196 WeakPolarHBondContact CB-O 3.27Å; Y124-N196 HydrophobicContact CE2-CB 4.38Å; Y124-N196 WeakPolarHBondContact CE2-O 3.31Å
197E83.4Confident85.6Confident81 Ų8166.6 Ų66.638%0.37936%0.361SS..SBendtrans-89.9-54.6178.1-176165.5-140.400110.5G122 F123 T194 K195G122-E197 CarbonylContact C-O 3.1Å; G122-E197 WeakPolarHBondContact CA-O 3.43Å; F123-E197 PolarHBondContact N-O 2.92Å; T194-E197 WeakPolarHBondContact CB-OE2 3.19Å; T194-E197 WeakPolarHBondContact CG2-OE2 3.19Å; T194-E197 WeakPolarHBondContact OG1-CB 3.32Å; T194-E197 PolarHBondContact OG1-OE2 3.24Å; K195-E197 PolarHBondContact O-N 3.22Å
198I88.1Confident86.3Confident16 Ų1662.8 Ų62.88%0.08234%0.336CS..EExtended strand (participates in β ladder)trans-108.3120.4-179.3-53.5-55.4000110.3V120 Q121 E152 P192 A200 I201V120-I198 HydrophobicContact CB-CD1 4.2Å; V120-I198 HydrophobicContact CB-CG2 4.21Å; V120-I198 HydrophobicContact CG1-CG2 4.44Å; V120-I198 HydrophobicContact CG2-CD1 4.31Å; Q121-I198 WeakPolarHBondContact O-CA 3.5Å; E152-I198 HydrophobicContact CB-CD1 4.27Å; E152-I198 HydrophobicContact CB-CG1 3.93Å; E152-I198 HydrophobicContact CG-CD1 3.9Å; E152-I198 HydrophobicContact CG-CG1 3.95Å; P192-I198 HydrophobicContact CB-CB 3.95Å; P192-I198 HydrophobicContact CB-CG1 4.35Å; P192-I198 HydrophobicContact CG-CB 4.29Å; I198-A200 WeakPolarHBondContact CG2-O 3.42Å; I198-I201 HydrophobicContact CG2-CG1 3.78Å
199E88.8Confident87.5Confident118 Ų11861.2 Ų61.255%0.55133%0.325SS*.EExtended strand (participates in β ladder)trans-85.1-39.6174.5167.4179.2-148.100111.7Q121 F123Q121-E199 PolarHBondContact O-N 2.91Å; F123-E199 HydrophobicContact CB-CB 4.32Å; F123-E199 HydrophobicContact CD2-CB 3.97Å; F123-E199 HydrophobicContact CG-CB 4.47Å
200A91.2Very high88.3Confident27 Ų2749.5 Ų49.522%0.22328%0.281CS..EExtended strand (participates in β ladder)trans-143.2143.8-176.600000112.8V120 Q121 W128 I198V120-A200 CarbonylContact C-O 3.5Å; V120-A200 WeakPolarHBondContact CA-O 3.47Å; Q121-A200 HydrophobicContact CB-CB 4.28Å; Q121-A200 PolarHBondContact N-O 2.97Å; Q121-A200 PolarHBondContact O-N 2.88Å; W128-A200 HydrophobicContact CH2-CB 3.73Å; W128-A200 HydrophobicContact CZ3-CB 4.37Å; I198-A200 WeakPolarHBondContact CG2-O 3.42Å
201I93.7Very high88.5Confident33 Ų3350 Ų5017%0.16929%0.285CS..EExtended strand (participates in β ladder)trans-124.2127.6172-48.1168.6000106.1L118 V120 E152 T153 L190 I198L118-I201 HydrophobicContact CD1-CG2 3.93Å; L118-I201 HydrophobicContact CD2-CG2 3.83Å; L118-I201 HydrophobicContact CG-CG2 3.85Å; V120-I201 HydrophobicContact CG1-CG1 4.32Å; V120-I201 HydrophobicContact CG1-CG2 4.23Å; E152-I201 WeakPolarHBondContact O-CD1 3.23Å; T153-I201 HydrophobicContact CG2-CG2 4.33Å; L190-I201 HydrophobicContact CB-CD1 4.06Å; L190-I201 HydrophobicContact CB-CG2 4.32Å; L190-I201 HydrophobicContact CD1-CG2 3.91Å; I198-I201 HydrophobicContact CG2-CG1 3.78Å
202T93.9Very high88.7Confident59 Ų5946.6 Ų46.636%0.36227%0.272SS..EExtended strand (participates in β ladder)trans-151.4143.7-171.9-68.20000112.5L119 F204L119-T202 PolarHBondContact N-O 2.9Å; L119-T202 PolarHBondContact O-N 3.07Å; T202-F204 HydrophobicContact CG2-CD2 4.01Å; T202-F204 HydrophobicContact CG2-CE2 3.63Å; T202-F204 HydrophobicContact CG2-CZ 4.12Å; T202-F204 WeakPolarHBondContact O-CD2 3.41Å
203W95.6Very high88.7Confident39 Ų3947.7 Ų47.715%0.14827%0.274CS..EExtended strand (participates in β ladder)trans-82.9124.3171.9-69.4100.6000111.1I109 D111 M116 I117 L118 L184 R186I109-W203 HydrophobicContact CG2-CH2 4.07Å; D111-W203 HydrophobicContact CB-CE3 4.1Å; D111-W203 HydrophobicContact CB-CH2 4.17Å; D111-W203 HydrophobicContact CB-CZ3 3.72Å; M116-W203 HydrophobicContact CB-CB 4.25Å; M116-W203 HydrophobicContact CB-CE3 3.97Å; M116-W203 HydrophobicContact SD-CB 4Å; I117-W203 VanDerWaalsContact C-CE3 3.47Å; I117-W203 CarbonylContact O-C 3.59Å; I117-W203 WeakPolarHBondContact O-CA 3.25Å; L118-W203 HydrophobicContact CB-CD2 4.48Å; L118-W203 HydrophobicContact CB-CE3 4.22Å; L118-W203 HydrophobicContact CB-CH2 4.35Å; L118-W203 HydrophobicContact CB-CZ3 4.14Å; L118-W203 HydrophobicContact CD1-CD2 3.64Å; L118-W203 VanDerWaalsContact CD1-CE2 3.48Å; L118-W203 HydrophobicContact CD1-CE3 4.22Å; L118-W203 HydrophobicContact CD1-CG 3.92Å; L118-W203 HydrophobicContact CD1-CZ2 3.97Å; L184-W203 HydrophobicContact CB-CH2 3.98Å; L184-W203 HydrophobicContact CB-CZ2 4.5Å; R186-W203 HydrophobicContact CG-CD2 4.38Å; R186-W203 PolarHBondContact O-NE1 3.18Å
204F95.2Very high88.8Confident18 Ų1850.9 Ų50.98%0.07927%0.272CS..EExtended strand (participates in β ladder)trans-112.5134.9179.7-78.5-95.7000112.3M116 I117 L119 W128 T202 I206 L209 L222 F229M116-F204 CarbonylContact C-O 3.59Å; M116-F204 WeakPolarHBondContact CA-O 3.44Å; I117-F204 PolarHBondContact N-O 2.77Å; I117-F204 PolarHBondContact O-N 2.82Å; L119-F204 HydrophobicContact CB-CD2 3.82Å; L119-F204 HydrophobicContact CB-CE2 4.05Å; L119-F204 HydrophobicContact CD1-CB 4.13Å; L119-F204 HydrophobicContact CD1-CD2 3.59Å; L119-F204 HydrophobicContact CD1-CE2 4.11Å; L119-F204 HydrophobicContact CD1-CG 3.85Å; L119-F204 HydrophobicContact CG-CD2 3.86Å; L119-F204 HydrophobicContact CG-CE2 4.48Å; L119-F204 HydrophobicContact CG-CG 4.45Å; W128-F204 AromaticContact CD2-CE2 3.74Å; W128-F204 HydrophobicContact CD2-CE2 3.74Å; W128-F204 AromaticContact CD2-CZ 3.73Å; W128-F204 HydrophobicContact CD2-CZ 3.73Å; W128-F204 AromaticContact CE2-CE2 3.95Å; W128-F204 AromaticContact CE2-CZ 3.55Å; W128-F204 AromaticContact CE3-CE2 3.61Å; W128-F204 HydrophobicContact CE3-CE2 3.61Å; W128-F204 HydrophobicContact CE3-CZ 4.09Å; W128-F204 HydrophobicContact CG-CE2 4.45Å; W128-F204 HydrophobicContact CG-CZ 4.26Å; W128-F204 AromaticContact CH2-CE2 3.96Å; W128-F204 HydrophobicContact CH2-CE2 3.96Å; W128-F204 HydrophobicContact CH2-CZ 4.13Å; W128-F204 HydrophobicContact CZ2-CE2 4.07Å; W128-F204 AromaticContact CZ2-CZ 3.77Å; W128-F204 HydrophobicContact CZ2-CZ 3.77Å; W128-F204 AromaticContact CZ3-CE2 3.74Å; W128-F204 HydrophobicContact CZ3-CE2 3.74Å; W128-F204 HydrophobicContact CZ3-CZ 4.28Å; W128-F204 AromaticContact NE1-CZ 3.92Å; T202-F204 HydrophobicContact CG2-CD2 4.01Å; T202-F204 HydrophobicContact CG2-CE2 3.63Å; T202-F204 HydrophobicContact CG2-CZ 4.12Å; T202-F204 WeakPolarHBondContact O-CD2 3.41Å; F204-I206 PolarHBondContact O-N 3.35Å; F204-L209 HydrophobicContact CB-CD1 3.94Å; F204-L209 HydrophobicContact CB-CD2 3.86Å; F204-L209 HydrophobicContact CB-CG 3.98Å; F204-L209 HydrophobicContact CD1-CD2 3.98Å; F204-L209 HydrophobicContact CG-CD2 4.1Å; F204-L222 HydrophobicContact CD1-CD1 4.07Å; F204-L222 HydrophobicContact CD1-CD2 3.92Å; F204-L222 HydrophobicContact CE1-CD1 4.3Å; F204-L222 HydrophobicContact CE1-CD2 4.16Å; F204-F229 HydrophobicContact CD1-CE1 4.08Å; F204-F229 HydrophobicContact CD1-CZ 4.26Å; F204-F229 AromaticContact CE1-CE1 3.8Å; F204-F229 HydrophobicContact CE1-CE1 3.8Å; F204-F229 AromaticContact CE1-CZ 3.72Å; F204-F229 HydrophobicContact CE1-CZ 3.72Å; F204-F229 HydrophobicContact CZ-CE1 4.15Å; F204-F229 HydrophobicContact CZ-CZ 4.28Å
205G95.6Very high88.9Confident11 Ų1149.9 Ų49.911%0.11326%0.264CS..EExtended strand (participates in β ladder)trans-60.5118.7173.100000112.1A207 D208 L209G205-A207 PolarHBondContact O-N 2.81Å; G205-D208 WeakPolarHBondContact O-CA 3.32Å; G205-D208 PolarHBondContact O-N 2.77Å; G205-L209 PolarHBondContact O-N 3.39Å
206I95.3Very high88.4Confident7 Ų750.6 Ų50.64%0.03627%0.272CS..THydrogen-bonded Turntrans-66.9-30.2-174.7-58.4165.2000111.1I110 K115 I117 F204 D208 L239 R240 I243I110-I206 HydrophobicContact CG2-CD1 4.48Å; K115-I206 WeakPolarHBondContact O-CG1 3.44Å; K115-I206 PolarHBondContact O-N 3.16Å; I117-I206 HydrophobicContact CB-CG1 4.45Å; I117-I206 HydrophobicContact CG1-CG1 4.26Å; I117-I206 HydrophobicContact CG2-CD1 3.71Å; I117-I206 HydrophobicContact CG2-CG1 3.88Å; F204-I206 PolarHBondContact O-N 3.35Å; I206-D208 VanDerWaalsContact C-N 3.27Å; I206-L239 HydrophobicContact CG2-CD2 4.21Å; I206-L239 HydrophobicContact CG2-CG 4.31Å; I206-R240 HydrophobicContact CG2-CG 4.02Å; I206-R240 VanDerWaalsContact O-CZ 3.28Å; I206-R240 PolarHBondContact O-NE 3.3Å; I206-R240 PolarHBondContact O-NH2 3.2Å; I206-I243 HydrophobicContact CD1-CD1 3.34Å; I206-I243 HydrophobicContact CG1-CD1 4.45Å; I206-I243 HydrophobicContact CG2-CD1 4Å
207A92.1Very high87.6Confident79 Ų7952 Ų5265%0.65329%0.29SS*.THydrogen-bonded Turntrans-72.1-18.4172.600000113.6G205 R240G205-A207 PolarHBondContact O-N 2.81Å; A207-R240 PolarHBondContact O-NH2 2.89Å; A207-R240 VanDerWaalsContact O-NH2 3.08Å
208D91.3Very high86.5Confident48 Ų4848.6 Ų48.626%0.25727%0.274SS..THydrogen-bonded Turntrans-100.9-25.5-177.4-54.3-59000112.5G205 I206 T218 K221 L222G205-D208 WeakPolarHBondContact O-CA 3.32Å; G205-D208 PolarHBondContact O-N 2.77Å; I206-D208 VanDerWaalsContact C-N 3.27Å; D208-T218 WeakPolarHBondContact O-CB 3.42Å; D208-T218 WeakPolarHBondContact O-CG2 3.36Å; D208-T218 PolarHBondContact O-OG1 2.97Å; D208-K221 HydrophobicContact CB-CD 4.14Å; D208-K221 WeakPolarHBondContact OD1-CD 3.27Å; D208-K221 WeakPolarHBondContact OD1-CE 3.39Å; D208-K221 IonicContact OD1-NZ 2.67Å; D208-K221 PolarHBondContact OD1-NZ 3.29Å; D208-L222 HydrophobicContact CB-CD2 4.5Å
209L93.2Very high85Confident0 Ų051 Ų510%029%0.286CS..SBendtrans-58.9145.1176.9-75.5170.6000112.9I117 L119 F204 G205 L222 F229 I236 R240I117-L209 HydrophobicContact CD1-CD1 3.64Å; I117-L209 HydrophobicContact CG1-CD1 3.74Å; L119-L209 HydrophobicContact CD1-CD1 4.36Å; L119-L209 HydrophobicContact CD1-CD2 3.95Å; F204-L209 HydrophobicContact CB-CD1 3.94Å; F204-L209 HydrophobicContact CB-CD2 3.86Å; F204-L209 HydrophobicContact CB-CG 3.98Å; F204-L209 HydrophobicContact CD1-CD2 3.98Å; F204-L209 HydrophobicContact CG-CD2 4.1Å; G205-L209 PolarHBondContact O-N 3.39Å; L209-L222 HydrophobicContact CD2-CD1 4.15Å; L209-F229 HydrophobicContact CD2-CD1 3.75Å; L209-F229 HydrophobicContact CD2-CE1 3.69Å; L209-F229 HydrophobicContact CD2-CZ 4.42Å; L209-I236 HydrophobicContact CB-CD1 4.17Å; L209-I236 HydrophobicContact CB-CG1 4.17Å; L209-I236 HydrophobicContact CB-CG2 4.29Å; L209-I236 HydrophobicContact CD1-CD1 3.74Å; L209-R240 PolarHBondContact O-NH2 2.7Å
210P91.8Very high83.7Confident0 Ų053.3 Ų53.30%030%0.297CS..  trans-75.3145.9-174.429.7-29.3000111.3D215 T218 P226 F229 I233P210-D215 HydrophobicContact CB-CB 3.78Å; P210-T218 HydrophobicContact CB-CG2 4.05Å; P210-T218 HydrophobicContact CG-CG2 4.22Å; P210-P226 HydrophobicContact CB-CB 4.36Å; P210-F229 HydrophobicContact CG-CB 3.67Å; P210-F229 HydrophobicContact CG-CD2 3.9Å; P210-F229 HydrophobicContact CG-CG 3.93Å; P210-I233 HydrophobicContact CB-CD1 4.29Å; P210-I233 HydrophobicContact CB-CG1 4.16Å; P210-I233 HydrophobicContact CG-CD1 4.01Å; P210-I233 HydrophobicContact CG-CG1 3.78Å; P210-I233 WeakPolarHBondContact O-CG1 3.4Å
211T90.3Very high82.8Confident48 Ų4858.3 Ų58.329%0.29431%0.313SS..SBendtrans-100.1-13.9178.555.70000113.8D215 I236 R240T211-D215 PolarHBondContact N-OD2 3.32Å; T211-D215 PolarHBondContact OG1-OD2 2.84Å; T211-I236 HydrophobicContact CG2-CG2 4.09Å; T211-R240 VanDerWaalsContact CG2-NH1 3.33Å
212H87.6Confident82Confident86 Ų8658.3 Ų58.340%0.39831%0.314SS..SBendtrans-155.8168.4177.763.8-67.2000110.1Q214 D215H212-Q214 PolarHBondContact O-N 3.14Å; H212-D215 IonicContact CE1-OD2 3.79Å; H212-D215 IonicContact ND1-OD2 3.49Å; H212-D215 PolarHBondContact ND1-OD2 2.89Å; H212-D215 PolarHBondContact NE2-N 2.78Å; H212-D215 VanDerWaalsContact O-CB 3.31Å; H212-D215 WeakPolarHBondContact O-CB 3.41Å; H212-D215 PolarHBondContact O-N 3.39Å
213I83.2Confident81.3Confident72 Ų7262.8 Ų62.837%0.36934%0.335SS..THydrogen-bonded Turntrans-70.6-20.4-172.1-63.6172.4000112.5P226 Y230 I233I213-P226 WeakPolarHBondContact O-CB 3.27Å; I213-Y230 HydrophobicContact CD1-CD2 3.97Å; I213-Y230 HydrophobicContact CD1-CE2 4.23Å; I213-I233 HydrophobicContact CG1-CD1 4.25Å
214Q80.5Confident80.4Confident133 Ų13362.1 Ų62.162%0.62134%0.337SS*.THydrogen-bonded Turntrans-101.717.5180-62.374.32000112.9H212 I216H212-Q214 PolarHBondContact O-N 3.14Å; Q214-I216 VanDerWaalsContact C-N 3.29Å; Q214-I216 PolarHBondContact O-N 3.15Å
215D77.1Confident79.7Confident23 Ų2369.2 Ų69.212%0.12336%0.363CS..  trans-73.578.1-179.2-151.1-23.9000111.5P210 T211 H212 A217 T218P210-D215 HydrophobicContact CB-CB 3.78Å; T211-D215 PolarHBondContact N-OD2 3.32Å; T211-D215 PolarHBondContact OG1-OD2 2.84Å; H212-D215 IonicContact CE1-OD2 3.79Å; H212-D215 IonicContact ND1-OD2 3.49Å; H212-D215 PolarHBondContact ND1-OD2 2.89Å; H212-D215 PolarHBondContact NE2-N 2.78Å; H212-D215 VanDerWaalsContact O-CB 3.31Å; H212-D215 WeakPolarHBondContact O-CB 3.41Å; H212-D215 PolarHBondContact O-N 3.39Å; D215-A217 VanDerWaalsContact C-N 3.3Å; D215-A217 PolarHBondContact O-N 3.12Å; D215-T218 PolarHBondContact O-N 3.15Å
216I68Low78.8Confident121 Ų12169.2 Ų69.262%0.62136%0.361SS*.G310 helixtrans-66-32.5-176-64.8164.6000111.4Q214 T218 M219Q214-I216 VanDerWaalsContact C-N 3.29Å; Q214-I216 PolarHBondContact O-N 3.15Å; I216-T218 PolarHBondContact O-N 3.46Å; I216-T218 VanDerWaalsContact O-N 3.15Å; I216-M219 VanDerWaalsContact O-CB 3.29Å; I216-M219 WeakPolarHBondContact O-CB 3.39Å; I216-M219 PolarHBondContact O-N 2.95Å
217A63Low78.3Confident73 Ų7372.6 Ų72.660%0.60338%0.379SS*.G310 helixtrans-62.6-23.3-17800000113.4D215D215-A217 VanDerWaalsContact C-N 3.3Å; D215-A217 PolarHBondContact O-N 3.12Å
218T60.1Low78.3Confident9 Ų969.6 Ų69.66%0.05535%0.352CS..G310 helixtrans-75-28.7171.9-71.90000113D208 P210 D215 I216 E220 K221 L222D208-T218 WeakPolarHBondContact O-CB 3.42Å; D208-T218 WeakPolarHBondContact O-CG2 3.36Å; D208-T218 PolarHBondContact O-OG1 2.97Å; P210-T218 HydrophobicContact CB-CG2 4.05Å; P210-T218 HydrophobicContact CG-CG2 4.22Å; D215-T218 PolarHBondContact O-N 3.15Å; I216-T218 PolarHBondContact O-N 3.46Å; I216-T218 VanDerWaalsContact O-N 3.15Å; T218-E220 PolarHBondContact O-N 2.97Å; T218-K221 PolarHBondContact O-N 3.15Å; T218-L222 HydrophobicContact CG2-CD1 3.63Å; T218-L222 HydrophobicContact CG2-CG 4.08Å; T218-L222 PolarHBondContact O-N 2.9Å
219M58.1Low78.3Confident68 Ų6867.3 Ų67.334%0.33534%0.34SS..Hα-helixtrans-63.1-39.1-169.1-67.2-159.761.100113.6I216 K221 N223 R225 P226I216-M219 VanDerWaalsContact O-CB 3.29Å; I216-M219 WeakPolarHBondContact O-CB 3.39Å; I216-M219 PolarHBondContact O-N 2.95Å; M219-K221 VanDerWaalsContact C-N 3.28Å; M219-K221 PolarHBondContact O-N 3.33Å; M219-N223 PolarHBondContact O-N 3.41Å; M219-N223 VanDerWaalsContact O-N 3.14Å; M219-R225 HydrophobicContact CE-CG 4.21Å; M219-P226 HydrophobicContact CG-CG 3.79Å; M219-P226 VanDerWaalsContact SD-CD 3.5Å; M219-P226 HydrophobicContact SD-CG 4Å
220E61.7Low78.3Confident166 Ų16671.7 Ų71.778%0.77636%0.357SS*.Hα-helixtrans-67.2-29.3-179.9-61.9-178.3166.600112.5T218T218-E220 PolarHBondContact O-N 2.97Å
221K71.2Confident78.4Confident131 Ų13173.3 Ų73.357%0.5737%0.366SS*.Hα-helixtrans-84.7-41.7-177.2-64.6-177.3175.4179.50113.3D208 T218 M219D208-K221 HydrophobicContact CB-CD 4.14Å; D208-K221 WeakPolarHBondContact OD1-CD 3.27Å; D208-K221 WeakPolarHBondContact OD1-CE 3.39Å; D208-K221 IonicContact OD1-NZ 2.67Å; D208-K221 PolarHBondContact OD1-NZ 3.29Å; T218-K221 PolarHBondContact O-N 3.15Å; M219-K221 VanDerWaalsContact C-N 3.28Å; M219-K221 PolarHBondContact O-N 3.33Å
222L78.2Confident78.7Confident34 Ų3471 Ų7118%0.17835%0.352CS..Hα-helixtrans-96.9-1.4-174.3-60-175.5000113.6F204 D208 L209 T218 S224 F229F204-L222 HydrophobicContact CD1-CD1 4.07Å; F204-L222 HydrophobicContact CD1-CD2 3.92Å; F204-L222 HydrophobicContact CE1-CD1 4.3Å; F204-L222 HydrophobicContact CE1-CD2 4.16Å; D208-L222 HydrophobicContact CB-CD2 4.5Å; L209-L222 HydrophobicContact CD2-CD1 4.15Å; T218-L222 HydrophobicContact CG2-CD1 3.63Å; T218-L222 HydrophobicContact CG2-CG 4.08Å; T218-L222 PolarHBondContact O-N 2.9Å; L222-S224 VanDerWaalsContact O-CB 3.31Å; L222-S224 WeakPolarHBondContact O-CB 3.44Å; L222-S224 PolarHBondContact O-N 2.85Å; L222-S224 PolarHBondContact O-OG 3Å; L222-F229 HydrophobicContact CD1-CE1 4.42Å; L222-F229 HydrophobicContact CD1-CE2 3.95Å; L222-F229 HydrophobicContact CD1-CZ 3.73Å
223N77.3Confident79Confident152 Ų15267.8 Ų67.881%0.81334%0.337SS*.SBendtrans4828.3-174.1-71.7-51.4000113.7M219M219-N223 PolarHBondContact O-N 3.41Å; M219-N223 VanDerWaalsContact O-N 3.14Å
224S76.7Confident79.6Confident26 Ų2666.4 Ų66.418%0.18233%0.333CS..SBendtrans-136.3145.8-165.7-71.20000111L222L222-S224 VanDerWaalsContact O-CB 3.31Å; L222-S224 WeakPolarHBondContact O-CB 3.44Å; L222-S224 PolarHBondContact O-N 2.85Å; L222-S224 PolarHBondContact O-OG 3Å
225R80.8Confident80.5Confident167 Ų16760.2 Ų60.263%0.6330%0.304SS*.  trans-73.1138.9178.5-62.2179-176.1145.53.1109.9M219 N227 N228M219-R225 HydrophobicContact CE-CG 4.21Å; R225-N227 PolarHBondContact O-N 3.47Å; R225-N227 VanDerWaalsContact O-N 3.11Å; R225-N228 VanDerWaalsContact O-CB 3.22Å; R225-N228 WeakPolarHBondContact O-CB 3.23Å; R225-N228 PolarHBondContact O-N 3.03Å
226P76.9Confident81.4Confident11 Ų1159.1 Ų59.17%0.07130%0.298CS..G310 helixtrans-58.6-30.1179.1-25.835.1000112.9P210 I213 M219 N228 F229 I233P210-P226 HydrophobicContact CB-CB 4.36Å; I213-P226 WeakPolarHBondContact O-CB 3.27Å; M219-P226 HydrophobicContact CG-CG 3.79Å; M219-P226 VanDerWaalsContact SD-CD 3.5Å; M219-P226 HydrophobicContact SD-CG 4Å; P226-N228 PolarHBondContact O-N 3.24Å; P226-F229 WeakPolarHBondContact O-CA 3.49Å; P226-F229 PolarHBondContact O-N 2.99Å; P226-I233 WeakPolarHBondContact O-CD1 3.44Å
227N85.4Confident82.7Confident77 Ų7757.6 Ų57.641%0.41228%0.284SS..G310 helixtrans-61.8-20.7174.3-167.370.1000114R225 F229 Y230R225-N227 PolarHBondContact O-N 3.47Å; R225-N227 VanDerWaalsContact O-N 3.11Å; N227-F229 PolarHBondContact O-N 2.96Å; N227-Y230 WeakPolarHBondContact O-CB 3.29Å; N227-Y230 PolarHBondContact O-N 2.94Å
228N90.7Very high84.3Confident17 Ų1754.3 Ų54.39%0.09126%0.257CS..G310 helixtrans-68.4-26.1171.9-63.112.5000111N126 R127 W128 R225 P226N126-N228 PolarHBondContact ND2-OD1 3.11Å; N126-N228 WeakPolarHBondContact O-CB 3.46Å; N126-N228 PolarHBondContact O-ND2 3Å; N126-N228 VanDerWaalsContact O-ND2 3.09Å; R127-N228 CarbonylContact C-O 3.54Å; R127-N228 VanDerWaalsContact CA-O 3.28Å; R127-N228 WeakPolarHBondContact CA-O 3.18Å; W128-N228 PolarHBondContact N-O 2.82Å; R225-N228 VanDerWaalsContact O-CB 3.22Å; R225-N228 WeakPolarHBondContact O-CB 3.23Å; R225-N228 PolarHBondContact O-N 3.03Å; P226-N228 PolarHBondContact O-N 3.24Å
229F92.8Very high86.2Confident0 Ų053.9 Ų53.90%025%0.254CS..G310 helixtrans-98.816.8178.4-58.8-83.4000113L119 W128 F204 L209 P210 L222 P226 N227 L231 V232 I233L119-F229 HydrophobicContact CD1-CD1 4.12Å; L119-F229 HydrophobicContact CD1-CE1 4.04Å; W128-F229 HydrophobicContact CB-CD1 3.77Å; W128-F229 HydrophobicContact CB-CE1 3.76Å; W128-F229 AromaticContact CD1-CE1 3.6Å; W128-F229 AromaticContact CD1-CZ 3.71Å; W128-F229 HydrophobicContact CG-CD1 4.24Å; W128-F229 AromaticContact CG-CE1 3.73Å; W128-F229 HydrophobicContact CG-CE1 3.73Å; W128-F229 HydrophobicContact CG-CZ 4.29Å; F204-F229 HydrophobicContact CD1-CE1 4.08Å; F204-F229 HydrophobicContact CD1-CZ 4.26Å; F204-F229 AromaticContact CE1-CE1 3.8Å; F204-F229 HydrophobicContact CE1-CE1 3.8Å; F204-F229 AromaticContact CE1-CZ 3.72Å; F204-F229 HydrophobicContact CE1-CZ 3.72Å; F204-F229 HydrophobicContact CZ-CE1 4.15Å; F204-F229 HydrophobicContact CZ-CZ 4.28Å; L209-F229 HydrophobicContact CD2-CD1 3.75Å; L209-F229 HydrophobicContact CD2-CE1 3.69Å; L209-F229 HydrophobicContact CD2-CZ 4.42Å; P210-F229 HydrophobicContact CG-CB 3.67Å; P210-F229 HydrophobicContact CG-CD2 3.9Å; P210-F229 HydrophobicContact CG-CG 3.93Å; L222-F229 HydrophobicContact CD1-CE1 4.42Å; L222-F229 HydrophobicContact CD1-CE2 3.95Å; L222-F229 HydrophobicContact CD1-CZ 3.73Å; P226-F229 WeakPolarHBondContact O-CA 3.49Å; P226-F229 PolarHBondContact O-N 2.99Å; N227-F229 PolarHBondContact O-N 2.96Å; F229-L231 PolarHBondContact O-N 3.43Å; F229-L231 VanDerWaalsContact O-N 3.09Å; F229-V232 HydrophobicContact CB-CB 4.43Å; F229-V232 WeakPolarHBondContact O-CA 3.25Å; F229-V232 PolarHBondContact O-N 3.22Å; F229-I233 HydrophobicContact CB-CD1 4.38Å; F229-I233 HydrophobicContact CB-CG1 4.26Å; F229-I233 WeakPolarHBondContact O-CG1 3.31Å; F229-I233 PolarHBondContact O-N 3.26Å
230Y92Very high88Confident91 Ų9153.9 Ų53.936%0.35725%0.25SS..THydrogen-bonded Turntrans-52.6-33.8-177.9172.1-100.8000113.8I171 I213 N227 V232 P234I171-Y230 HydrophobicContact CG2-CD1 4.35Å; I171-Y230 HydrophobicContact CG2-CE1 3.39Å; I171-Y230 WeakPolarHBondContact CG2-OH 3.26Å; I213-Y230 HydrophobicContact CD1-CD2 3.97Å; I213-Y230 HydrophobicContact CD1-CE2 4.23Å; N227-Y230 WeakPolarHBondContact O-CB 3.29Å; N227-Y230 PolarHBondContact O-N 2.94Å; Y230-V232 VanDerWaalsContact C-N 3.34Å; Y230-P234 WeakPolarHBondContact O-CD 3.5Å
231L94.1Very high89.8Confident35 Ų3547.2 Ų47.218%0.18322%0.22CC..THydrogen-bonded Turntrans-79.7-14.4178.1-62.9-179.8000113.8I171 F229 F235I171-L231 HydrophobicContact CD1-CD2 4.38Å; I171-L231 HydrophobicContact CG2-CD2 4.46Å; F229-L231 PolarHBondContact O-N 3.43Å; F229-L231 VanDerWaalsContact O-N 3.09Å; L231-F235 WeakPolarHBondContact O-CE2 3.33Å
232V96.6Very high91.1Very high0 Ų041 Ų410%019%0.193CC..THydrogen-bonded Turntrans-104.8-39.8-174.9178.80000111.2L119 W128 F229 Y230 P234 F235 I236L119-V232 HydrophobicContact CD1-CG1 4.32Å; L119-V232 HydrophobicContact CD1-CG2 4.25Å; L119-V232 HydrophobicContact CD2-CG1 4.11Å; L119-V232 HydrophobicContact CD2-CG2 3.84Å; W128-V232 WeakPolarHBondContact O-CG2 3.44Å; F229-V232 HydrophobicContact CB-CB 4.43Å; F229-V232 WeakPolarHBondContact O-CA 3.25Å; F229-V232 PolarHBondContact O-N 3.22Å; Y230-V232 VanDerWaalsContact C-N 3.34Å; V232-P234 VanDerWaalsContact C-CD 3.43Å; V232-P234 VanDerWaalsContact C-N 3.33Å; V232-P234 VanDerWaalsContact O-N 3.11Å; V232-F235 PolarHBondContact O-N 2.98Å; V232-I236 HydrophobicContact CG1-CD1 3.62Å; V232-I236 HydrophobicContact CG1-CG1 3.89Å
233I95.1Very high92Very high17 Ų1740 Ų409%0.08719%0.187CC..Hα-helixtrans-40.5-48.4180-80.9165.8000113.9P210 I213 P226 F229 F235 I236P210-I233 HydrophobicContact CB-CD1 4.29Å; P210-I233 HydrophobicContact CB-CG1 4.16Å; P210-I233 HydrophobicContact CG-CD1 4.01Å; P210-I233 HydrophobicContact CG-CG1 3.78Å; P210-I233 WeakPolarHBondContact O-CG1 3.4Å; I213-I233 HydrophobicContact CG1-CD1 4.25Å; P226-I233 WeakPolarHBondContact O-CD1 3.44Å; F229-I233 HydrophobicContact CB-CD1 4.38Å; F229-I233 HydrophobicContact CB-CG1 4.26Å; F229-I233 WeakPolarHBondContact O-CG1 3.31Å; F229-I233 PolarHBondContact O-N 3.26Å; I233-F235 PolarHBondContact O-N 2.88Å; I233-F235 VanDerWaalsContact O-N 3.1Å; I233-I236 PolarHBondContact O-N 3.16Å
234P95.9Very high93Very high43 Ų4337.8 Ų37.828%0.27917%0.172SC..Hα-helixtrans-62.3-20.6-176.4-28.640.5000115.2R169 I171 Y230 V232R169-P234 HydrophobicContact CB-CB 4.24Å; R169-P234 HydrophobicContact CG-CB 3.89Å; R169-P234 PolarHBondContact NE-O 3.44Å; I171-P234 HydrophobicContact CD1-CB 4.42Å; I171-P234 HydrophobicContact CD1-CG 3.72Å; I171-P234 HydrophobicContact CG1-CG 4.16Å; Y230-P234 WeakPolarHBondContact O-CD 3.5Å; V232-P234 VanDerWaalsContact C-CD 3.43Å; V232-P234 VanDerWaalsContact C-N 3.33Å; V232-P234 VanDerWaalsContact O-N 3.11Å
235F97.8Very high94Very high3 Ų337.7 Ų37.71%0.01317%0.169CC..Hα-helixtrans-90.2-34.3-179.7-58.4-85.1000112.5I108 L130 I167 R169 R176 A178 L231 V232 I233 R237 Q238 L239I108-F235 HydrophobicContact CD1-CB 4.36Å; I108-F235 HydrophobicContact CD1-CD1 4.39Å; L130-F235 HydrophobicContact CD1-CD1 4.47Å; L130-F235 HydrophobicContact CD1-CD2 3.9Å; L130-F235 HydrophobicContact CD1-CE2 4.06Å; L130-F235 HydrophobicContact CD1-CG 4.12Å; L130-F235 HydrophobicContact CD1-CZ 4.41Å; I167-F235 HydrophobicContact CB-CD1 4.04Å; I167-F235 HydrophobicContact CB-CE1 4.47Å; I167-F235 HydrophobicContact CG2-CD1 3.7Å; I167-F235 HydrophobicContact CG2-CE1 4.19Å; I167-F235 WeakPolarHBondContact O-CE1 3.44Å; R169-F235 HydrophobicContact CB-CE1 3.91Å; R169-F235 HydrophobicContact CB-CE2 4.4Å; R169-F235 HydrophobicContact CB-CZ 3.79Å; R169-F235 HydrophobicContact CG-CD1 3.82Å; R169-F235 HydrophobicContact CG-CE1 3.55Å; R169-F235 HydrophobicContact CG-CE2 4.38Å; R169-F235 HydrophobicContact CG-CG 4.34Å; R169-F235 HydrophobicContact CG-CZ 3.86Å; R176-F235 HydrophobicContact CB-CZ 4Å; A178-F235 HydrophobicContact CB-CD1 3.74Å; A178-F235 HydrophobicContact CB-CE1 3.45Å; A178-F235 VanDerWaalsContact CB-CE1 3.45Å; A178-F235 HydrophobicContact CB-CZ 4.07Å; L231-F235 WeakPolarHBondContact O-CE2 3.33Å; V232-F235 PolarHBondContact O-N 2.98Å; I233-F235 PolarHBondContact O-N 2.88Å; I233-F235 VanDerWaalsContact O-N 3.1Å; F235-R237 VanDerWaalsContact C-N 3.34Å; F235-R237 PolarHBondContact O-N 3.08Å; F235-Q238 PolarHBondContact O-N 2.79Å; F235-L239 WeakPolarHBondContact O-CB 3.46Å; F235-L239 PolarHBondContact O-N 2.65Å
236I96.3Very high94.9Very high1 Ų132.2 Ų32.21%0.00515%0.148CC..Hα-helixtrans-58-39.5-165.8-62.4-51.1000113.8I117 L209 T211 V232 I233 L239 R240I117-I236 HydrophobicContact CD1-CD1 4.03Å; L209-I236 HydrophobicContact CB-CD1 4.17Å; L209-I236 HydrophobicContact CB-CG1 4.17Å; L209-I236 HydrophobicContact CB-CG2 4.29Å; L209-I236 HydrophobicContact CD1-CD1 3.74Å; T211-I236 HydrophobicContact CG2-CG2 4.09Å; V232-I236 HydrophobicContact CG1-CD1 3.62Å; V232-I236 HydrophobicContact CG1-CG1 3.89Å; I233-I236 PolarHBondContact O-N 3.16Å; I236-L239 HydrophobicContact CD1-CD2 4.15Å; I236-L239 PolarHBondContact O-N 3.47Å; I236-R240 HydrophobicContact CG2-CG 4.47Å; I236-R240 WeakPolarHBondContact O-CG 3.48Å; I236-R240 PolarHBondContact O-N 3.42Å
237R95.5Very high95.8Very high88 Ų8836.7 Ų36.733%0.33217%0.171SC..Hα-helixtrans-64.6-44.9-178.8-178.6168.6175.1-91-22.1112.7F235 L241 L262 C263 S266F235-R237 VanDerWaalsContact C-N 3.34Å; F235-R237 PolarHBondContact O-N 3.08Å; R237-L241 PolarHBondContact O-N 3.15Å; R237-L262 PolarHBondContact NH2-O 3.39Å; R237-C263 PolarHBondContact NH1-O 2.94Å; R237-C263 PolarHBondContact NH1-SG 3.37Å; R237-S266 PolarHBondContact NH1-OG 2.89Å; R237-S266 VanDerWaalsContact NH2-CB 3.29Å; R237-S266 PolarHBondContact NH2-OG 3.29Å
238Q97.9Very high96.4Very high4 Ų436.7 Ų36.72%0.01918%0.177CC..Hα-helixtrans-70.9-38176.4-177.5175.4-3.800110.7I167 F235 R240 L241 Y242 S259 C263I167-Q238 HydrophobicContact CD1-CB 4.25Å; I167-Q238 HydrophobicContact CD1-CG 4Å; F235-Q238 PolarHBondContact O-N 2.79Å; Q238-R240 VanDerWaalsContact C-N 3.33Å; Q238-R240 PolarHBondContact O-N 2.94Å; Q238-L241 PolarHBondContact O-N 2.7Å; Q238-Y242 WeakPolarHBondContact O-CB 3.38Å; Q238-Y242 PolarHBondContact O-N 3.05Å; Q238-S259 VanDerWaalsContact CG-OG 3.32Å; Q238-S259 WeakPolarHBondContact CG-OG 3.3Å; Q238-S259 PolarHBondContact NE2-OG 2.88Å; Q238-C263 HydrophobicContact CB-CB 4.45Å
239L98.3Very high96.8Very high1 Ų138.9 Ų38.91%0.00520%0.204CC..Hα-helixtrans-59.6-39.3177.3179.160.5000113I108 I110 I117 I206 F235 I236 Y242 I243I108-L239 HydrophobicContact CG2-CD1 3.79Å; I108-L239 HydrophobicContact CG2-CD2 3.78Å; I108-L239 HydrophobicContact CG2-CG 4.44Å; I110-L239 HydrophobicContact CD1-CD1 3.83Å; I117-L239 HydrophobicContact CD1-CD2 4.07Å; I117-L239 HydrophobicContact CG2-CD2 3.95Å; I206-L239 HydrophobicContact CG2-CD2 4.21Å; I206-L239 HydrophobicContact CG2-CG 4.31Å; F235-L239 WeakPolarHBondContact O-CB 3.46Å; F235-L239 PolarHBondContact O-N 2.65Å; I236-L239 HydrophobicContact CD1-CD2 4.15Å; I236-L239 PolarHBondContact O-N 3.47Å; L239-Y242 HydrophobicContact CD1-CD1 4.35Å; L239-Y242 WeakPolarHBondContact O-CB 3.29Å; L239-Y242 PolarHBondContact O-N 3.31Å; L239-I243 HydrophobicContact CD1-CD1 3.95Å; L239-I243 HydrophobicContact CD1-CG1 4.37Å; L239-I243 HydrophobicContact CG-CD1 3.99Å; L239-I243 WeakPolarHBondContact O-CD1 2.99Å; L239-I243 WeakPolarHBondContact O-CG1 3.26Å; L239-I243 PolarHBondContact O-N 3.03Å
240R97.7Very high97Very high68 Ų6841.8 Ų41.826%0.25722%0.217SC..Hα-helixtrans-61.2-50.3173.5-75.4179.7-179.1171.76111.8I206 A207 L209 T211 I236 Q238 Y242 I243 E244I206-R240 HydrophobicContact CG2-CG 4.02Å; I206-R240 VanDerWaalsContact O-CZ 3.28Å; I206-R240 PolarHBondContact O-NE 3.3Å; I206-R240 PolarHBondContact O-NH2 3.2Å; A207-R240 PolarHBondContact O-NH2 2.89Å; A207-R240 VanDerWaalsContact O-NH2 3.08Å; L209-R240 PolarHBondContact O-NH2 2.7Å; T211-R240 VanDerWaalsContact CG2-NH1 3.33Å; I236-R240 HydrophobicContact CG2-CG 4.47Å; I236-R240 WeakPolarHBondContact O-CG 3.48Å; I236-R240 PolarHBondContact O-N 3.42Å; Q238-R240 VanDerWaalsContact C-N 3.33Å; Q238-R240 PolarHBondContact O-N 2.94Å; R240-Y242 VanDerWaalsContact C-N 3.29Å; R240-Y242 PolarHBondContact O-N 3.44Å; R240-I243 PolarHBondContact O-N 3.06Å; R240-E244 WeakPolarHBondContact O-CG 3.14Å; R240-E244 PolarHBondContact O-N 3.41Å
241L98.1Very high97.3Very high26 Ų2640.8 Ų40.814%0.13622%0.221CC..Hα-helixtrans-59.8-40.2177.2-65.8168.6000111.8R237 Q238 E244 Q245 L262 C263R237-L241 PolarHBondContact O-N 3.15Å; Q238-L241 PolarHBondContact O-N 2.7Å; L241-E244 WeakPolarHBondContact O-CB 3.33Å; L241-E244 PolarHBondContact O-N 2.77Å; L241-Q245 VanDerWaalsContact O-CG 3.32Å; L241-Q245 WeakPolarHBondContact O-CG 3.44Å; L241-Q245 PolarHBondContact O-N 3.5Å; L241-Q245 PolarHBondContact O-NE2 3.36Å; L241-L262 HydrophobicContact CD1-CB 3.96Å; L241-L262 HydrophobicContact CD2-CB 4.33Å; L241-L262 HydrophobicContact CD2-CD1 4.5Å; L241-C263 HydrophobicContact CD1-CB 4.09Å
242Y98.6Very high97.5Very high0 Ų040.9 Ų40.90%022%0.224CC..Hα-helixtrans-58-49.8174.4175.3-96.9000111.6I110 L165 I180 E182 Q238 L239 R240 E244 Q245 R246 P252 A255 L256I110-Y242 HydrophobicContact CD1-CD1 4.41Å; I110-Y242 HydrophobicContact CD1-CE1 4.19Å; L165-Y242 HydrophobicContact CD1-CE2 4.37Å; I180-Y242 HydrophobicContact CD1-CD1 4.09Å; I180-Y242 HydrophobicContact CD1-CD2 4.12Å; I180-Y242 HydrophobicContact CD1-CE1 3.99Å; I180-Y242 HydrophobicContact CD1-CE2 3.99Å; I180-Y242 HydrophobicContact CD1-CG 4.17Å; I180-Y242 HydrophobicContact CG2-CE1 3.87Å; E182-Y242 WeakPolarHBondContact OE1-CE1 3.49Å; E182-Y242 PolarHBondContact OE1-OH 3.11Å; Q238-Y242 WeakPolarHBondContact O-CB 3.38Å; Q238-Y242 PolarHBondContact O-N 3.05Å; L239-Y242 HydrophobicContact CD1-CD1 4.35Å; L239-Y242 WeakPolarHBondContact O-CB 3.29Å; L239-Y242 PolarHBondContact O-N 3.31Å; R240-Y242 VanDerWaalsContact C-N 3.29Å; R240-Y242 PolarHBondContact O-N 3.44Å; Y242-E244 VanDerWaalsContact C-N 3.35Å; Y242-E244 PolarHBondContact O-N 2.88Å; Y242-Q245 WeakPolarHBondContact O-CB 3.09Å; Y242-Q245 PolarHBondContact O-N 3.3Å; Y242-Q245 VanDerWaalsContact O-N 3.1Å; Y242-R246 HydrophobicContact CD1-CG 4.08Å; Y242-R246 HydrophobicContact CE1-CG 3.6Å; Y242-R246 HydrophobicContact CE2-CG 4.32Å; Y242-R246 WeakPolarHBondContact O-CG 3.38Å; Y242-R246 PolarHBondContact O-N 2.93Å; Y242-P252 WeakPolarHBondContact CE2-O 3.43Å; Y242-P252 WeakPolarHBondContact OH-CB 3.45Å; Y242-A255 HydrophobicContact CD2-CB 3.82Å; Y242-A255 HydrophobicContact CE2-CB 3.65Å; Y242-L256 HydrophobicContact CD2-CB 4.13Å; Y242-L256 HydrophobicContact CD2-CD1 4.43Å; Y242-L256 HydrophobicContact CE2-CB 3.97Å
243I98.3Very high97.6Very high12 Ų1243.3 Ų43.36%0.06225%0.249CC..Hα-helixtrans-64-39.5178.9-72.2161.9000111.5I110 H114 I206 L239 R240 Q245 R246 L247I110-I243 HydrophobicContact CD1-CD1 4.44Å; I110-I243 HydrophobicContact CD1-CG1 4.4Å; H114-I243 HydrophobicContact CB-CG2 4.06Å; I206-I243 HydrophobicContact CD1-CD1 3.34Å; I206-I243 HydrophobicContact CG1-CD1 4.45Å; I206-I243 HydrophobicContact CG2-CD1 4Å; L239-I243 HydrophobicContact CD1-CD1 3.95Å; L239-I243 HydrophobicContact CD1-CG1 4.37Å; L239-I243 HydrophobicContact CG-CD1 3.99Å; L239-I243 WeakPolarHBondContact O-CD1 2.99Å; L239-I243 WeakPolarHBondContact O-CG1 3.26Å; L239-I243 PolarHBondContact O-N 3.03Å; R240-I243 PolarHBondContact O-N 3.06Å; I243-Q245 VanDerWaalsContact C-N 3.29Å; I243-Q245 PolarHBondContact O-N 2.91Å; I243-R246 PolarHBondContact O-N 3.31Å; I243-L247 HydrophobicContact CG2-CD1 3.76Å; I243-L247 HydrophobicContact CG2-CG 4.17Å; I243-L247 WeakPolarHBondContact O-CB 3.5Å; I243-L247 VanDerWaalsContact O-CG 3.28Å; I243-L247 WeakPolarHBondContact O-CG 3.49Å; I243-L247 PolarHBondContact O-N 3.39Å
244E97.9Very high97.7Very high107 Ų10747.5 Ų47.550%0.527%0.271SS..Hα-helixtrans-57.7-42.3172.3-70164-161.700111.6R240 L241 Y242 S248R240-E244 WeakPolarHBondContact O-CG 3.14Å; R240-E244 PolarHBondContact O-N 3.41Å; L241-E244 WeakPolarHBondContact O-CB 3.33Å; L241-E244 PolarHBondContact O-N 2.77Å; Y242-E244 VanDerWaalsContact C-N 3.35Å; Y242-E244 PolarHBondContact O-N 2.88Å; E244-S248 WeakPolarHBondContact O-CB 3.37Å; E244-S248 PolarHBondContact O-N 3.02Å
245Q98.1Very high97.9Very high23 Ų2345.4 Ų45.411%0.10726%0.258CS..Hα-helixtrans-67.5-38.5175.5-61.3-34.9-7900112.6L241 Y242 I243 S248 K250 A255 E258L241-Q245 VanDerWaalsContact O-CG 3.32Å; L241-Q245 WeakPolarHBondContact O-CG 3.44Å; L241-Q245 PolarHBondContact O-N 3.5Å; L241-Q245 PolarHBondContact O-NE2 3.36Å; Y242-Q245 WeakPolarHBondContact O-CB 3.09Å; Y242-Q245 PolarHBondContact O-N 3.3Å; Y242-Q245 VanDerWaalsContact O-N 3.1Å; I243-Q245 VanDerWaalsContact C-N 3.29Å; I243-Q245 PolarHBondContact O-N 2.91Å; Q245-S248 PolarHBondContact O-N 2.83Å; Q245-S248 PolarHBondContact O-OG 2.99Å; Q245-S248 VanDerWaalsContact O-OG 3.06Å; Q245-K250 HydrophobicContact CB-CB 4.48Å; Q245-K250 HydrophobicContact CB-CD 4.04Å; Q245-K250 HydrophobicContact CG-CD 4.38Å; Q245-K250 WeakPolarHBondContact O-CB 3.36Å; Q245-K250 PolarHBondContact O-N 3.18Å; Q245-K250 VanDerWaalsContact O-N 3.08Å; Q245-A255 HydrophobicContact CB-CB 3.62Å; Q245-E258 HydrophobicContact CG-CB 3.94Å
246R98.1Very high97.9Very high53 Ų5346.1 Ų46.120%0.226%0.261CS..Hα-helixtrans-64.7-44.6176-67.9-64-68.8103.69.4111.6E182 Y242 I243 S248 G249 K250 A255E182-R246 VanDerWaalsContact CD-NE 3.31Å; E182-R246 VanDerWaalsContact OE1-CD 3.31Å; E182-R246 WeakPolarHBondContact OE1-CD 3.44Å; E182-R246 WeakPolarHBondContact OE1-CG 3.33Å; E182-R246 IonicContact OE1-CZ 2.77Å; E182-R246 IonicContact OE1-NE 3.92Å; E182-R246 PolarHBondContact OE1-NE 3.21Å; E182-R246 IonicContact OE1-NH2 3.31Å; E182-R246 IonicContact OE2-CZ 3.17Å; E182-R246 VanDerWaalsContact OE2-CZ 3.28Å; E182-R246 IonicContact OE2-NE 2.82Å; E182-R246 PolarHBondContact OE2-NE 3.41Å; E182-R246 IonicContact OE2-NH2 3.73Å; E182-R246 PolarHBondContact OE2-NH2 3.37Å; Y242-R246 HydrophobicContact CD1-CG 4.08Å; Y242-R246 HydrophobicContact CE1-CG 3.6Å; Y242-R246 HydrophobicContact CE2-CG 4.32Å; Y242-R246 WeakPolarHBondContact O-CG 3.38Å; Y242-R246 PolarHBondContact O-N 2.93Å; I243-R246 PolarHBondContact O-N 3.31Å; R246-S248 VanDerWaalsContact C-N 3.26Å; R246-S248 PolarHBondContact O-N 3.15Å; R246-G249 PolarHBondContact O-N 2.91Å; R246-K250 PolarHBondContact NH1-O 2.94Å; R246-A255 VanDerWaalsContact CD-CB 3.48Å; R246-A255 HydrophobicContact CG-CB 3.8Å
247L97.5Very high98Very high104 Ų10448.8 Ų48.855%0.54528%0.28SS..Hα-helixtrans-67.9-24176-67175.2000112.6H114 I243 G249H114-L247 HydrophobicContact CB-CD2 4.4Å; I243-L247 HydrophobicContact CG2-CD1 3.76Å; I243-L247 HydrophobicContact CG2-CG 4.17Å; I243-L247 WeakPolarHBondContact O-CB 3.5Å; I243-L247 VanDerWaalsContact O-CG 3.28Å; I243-L247 WeakPolarHBondContact O-CG 3.49Å; I243-L247 PolarHBondContact O-N 3.39Å; L247-G249 PolarHBondContact O-N 2.8Å
248S97.8Very high98.1Very high77 Ų7746.9 Ų46.954%0.53828%0.275SS..THydrogen-bonded Turntrans-79.78.8168.795.70000113.9E244 Q245 R246E244-S248 WeakPolarHBondContact O-CB 3.37Å; E244-S248 PolarHBondContact O-N 3.02Å; Q245-S248 PolarHBondContact O-N 2.83Å; Q245-S248 PolarHBondContact O-OG 2.99Å; Q245-S248 VanDerWaalsContact O-OG 3.06Å; R246-S248 VanDerWaalsContact C-N 3.26Å; R246-S248 PolarHBondContact O-N 3.15Å
249G97.6Very high98.1Very high64 Ų6446.7 Ų46.766%0.6627%0.274SS*.THydrogen-bonded Turntrans83.54.7177.100000116.1R246 L247R246-G249 PolarHBondContact O-N 2.91Å; L247-G249 PolarHBondContact O-N 2.8Å
250K98.2Very high98Very high61 Ų6151.9 Ų51.927%0.26530%0.298SS..  trans-72.3138.7176-67.5174.6176174.10110.5Q245 R246 L254 A255 E258Q245-K250 HydrophobicContact CB-CB 4.48Å; Q245-K250 HydrophobicContact CB-CD 4.04Å; Q245-K250 HydrophobicContact CG-CD 4.38Å; Q245-K250 WeakPolarHBondContact O-CB 3.36Å; Q245-K250 PolarHBondContact O-N 3.18Å; Q245-K250 VanDerWaalsContact O-N 3.08Å; R246-K250 PolarHBondContact NH1-O 2.94Å; K250-L254 HydrophobicContact CB-CB 4.47Å; K250-A255 HydrophobicContact CB-CB 4.41Å; K250-E258 IonicContact NZ-OE2 3.86Å; K250-E258 PolarHBondContact NZ-OE2 2.93Å
251P98.1Very high98Very high70 Ų7054.2 Ų54.246%0.45531%0.307SS..  trans-67.9157.6174.929.7-35.8000111.5G253 L254 A255P251-G253 PolarHBondContact O-N 2.98Å; P251-L254 HydrophobicContact CG-CB 4.14Å; P251-L254 HydrophobicContact CG-CD1 3.84Å; P251-L254 HydrophobicContact CG-CG 4.03Å; P251-L254 PolarHBondContact O-N 2.74Å; P251-A255 PolarHBondContact O-N 3.13Å
252P98.4Very high97.9Very high37 Ų3755.5 Ų55.524%0.2431%0.314CS..Hα-helixtrans-46.2-51.4-172.1-33.236.8000116.1L165 Y242 L254 A255 L256L165-P252 HydrophobicContact CD1-CB 3.69Å; L165-P252 HydrophobicContact CD2-CB 3.78Å; L165-P252 HydrophobicContact CG-CB 4.43Å; Y242-P252 WeakPolarHBondContact CE2-O 3.43Å; Y242-P252 WeakPolarHBondContact OH-CB 3.45Å; P252-L254 VanDerWaalsContact C-N 3.34Å; P252-L254 PolarHBondContact O-N 3.43Å; P252-A255 PolarHBondContact O-N 3.03Å; P252-L256 PolarHBondContact O-N 3.28Å
253G98.2Very high97.6Very high51 Ų5156.7 Ų56.753%0.52632%0.322SS..Hα-helixtrans-63.2-34.9-179.200000114.4P251 S257P251-G253 PolarHBondContact O-N 2.98Å; G253-S257 PolarHBondContact O-N 2.95Å; G253-S257 PolarHBondContact O-OG 3.12Å; G253-S257 VanDerWaalsContact O-OG 3.14Å
254L98.3Very high97Very high104 Ų10459.9 Ų59.955%0.54534%0.344SS..Hα-helixtrans-78.7-31.2175.2-65.4-176.8000112.1K250 P251 P252 S257 E258K250-L254 HydrophobicContact CB-CB 4.47Å; P251-L254 HydrophobicContact CG-CB 4.14Å; P251-L254 HydrophobicContact CG-CD1 3.84Å; P251-L254 HydrophobicContact CG-CG 4.03Å; P251-L254 PolarHBondContact O-N 2.74Å; P252-L254 VanDerWaalsContact C-N 3.34Å; P252-L254 PolarHBondContact O-N 3.43Å; L254-S257 PolarHBondContact O-OG 2.67Å; L254-E258 VanDerWaalsContact O-CB 3.29Å; L254-E258 WeakPolarHBondContact O-CB 3.28Å; L254-E258 VanDerWaalsContact O-CG 3.32Å; L254-E258 WeakPolarHBondContact O-CG 3.4Å; L254-E258 PolarHBondContact O-N 3.1Å
255A98.6Very high96.1Very high0 Ų059.1 Ų59.10%034%0.344CS..Hα-helixtrans-65.9-39.6172.100000111.5Y242 Q245 R246 K250 P251 P252 S259Y242-A255 HydrophobicContact CD2-CB 3.82Å; Y242-A255 HydrophobicContact CE2-CB 3.65Å; Q245-A255 HydrophobicContact CB-CB 3.62Å; R246-A255 VanDerWaalsContact CD-CB 3.48Å; R246-A255 HydrophobicContact CG-CB 3.8Å; K250-A255 HydrophobicContact CB-CB 4.41Å; P251-A255 PolarHBondContact O-N 3.13Å; P252-A255 PolarHBondContact O-N 3.03Å; A255-S259 VanDerWaalsContact O-CB 3.24Å; A255-S259 WeakPolarHBondContact O-CB 3.39Å; A255-S259 PolarHBondContact O-N 3.14Å; A255-S259 PolarHBondContact O-OG 3.25Å
256L98.5Very high94.4Very high17 Ų1760.6 Ų60.69%0.08936%0.356CS..Hα-helixtrans-65.4-53.3178.4-177.260.6000112L165 Y166 I167 I180 Y242 P252 E258 S259 E260L165-L256 HydrophobicContact CD1-CB 4.05Å; L165-L256 HydrophobicContact CD1-CD2 3.92Å; Y166-L256 WeakPolarHBondContact O-CD2 3.34Å; I167-L256 HydrophobicContact CG1-CD1 3.94Å; I180-L256 HydrophobicContact CD1-CD1 4.23Å; Y242-L256 HydrophobicContact CD2-CB 4.13Å; Y242-L256 HydrophobicContact CD2-CD1 4.43Å; Y242-L256 HydrophobicContact CE2-CB 3.97Å; P252-L256 PolarHBondContact O-N 3.28Å; L256-E258 PolarHBondContact O-N 3.45Å; L256-S259 PolarHBondContact O-N 3.01Å; L256-S259 VanDerWaalsContact O-N 3.16Å; L256-S259 PolarHBondContact O-OG 3.43Å; L256-E260 PolarHBondContact O-N 2.88Å
257S98Very high92.4Very high58 Ų5865 Ų6541%0.40638%0.381SS..Hα-helixtrans-62.8-39.5-179.854.30000112.9G253 L254 E260 R261G253-S257 PolarHBondContact O-N 2.95Å; G253-S257 PolarHBondContact O-OG 3.12Å; G253-S257 VanDerWaalsContact O-OG 3.14Å; L254-S257 PolarHBondContact O-OG 2.67Å; S257-E260 PolarHBondContact O-N 3.46Å; S257-R261 PolarHBondContact O-N 3.39Å
258E98Very high89.4Confident48 Ų4864.5 Ų64.522%0.22439%0.386CS..Hα-helixtrans-67.5-38.2173.8-75.7-72.5105.400112.5Q245 K250 L254 L256 E260 R261 L262Q245-E258 HydrophobicContact CG-CB 3.94Å; K250-E258 IonicContact NZ-OE2 3.86Å; K250-E258 PolarHBondContact NZ-OE2 2.93Å; L254-E258 VanDerWaalsContact O-CB 3.29Å; L254-E258 WeakPolarHBondContact O-CB 3.28Å; L254-E258 VanDerWaalsContact O-CG 3.32Å; L254-E258 WeakPolarHBondContact O-CG 3.4Å; L254-E258 PolarHBondContact O-N 3.1Å; L256-E258 PolarHBondContact O-N 3.45Å; E258-E260 VanDerWaalsContact C-N 3.3Å; E258-E260 PolarHBondContact O-N 2.97Å; E258-R261 PolarHBondContact O-N 2.99Å; E258-R261 IonicContact OE1-CZ 3.46Å; E258-R261 IonicContact OE1-NE 3.36Å; E258-R261 PolarHBondContact OE1-NE 3.48Å; E258-R261 IonicContact OE1-NH2 3.31Å; E258-R261 PolarHBondContact OE1-NH2 2.96Å; E258-R261 IonicContact OE2-CZ 3.67Å; E258-R261 IonicContact OE2-NE 2.69Å; E258-R261 IonicContact OE2-NH2 2.76Å; E258-R261 PolarHBondContact OE2-NH2 3.46Å; E258-L262 WeakPolarHBondContact O-CB 3.47Å; E258-L262 WeakPolarHBondContact O-CG 3.47Å; E258-L262 PolarHBondContact O-N 3.24Å
259S98.1Very high86.1Confident0 Ų069.8 Ų69.80%040%0.396CS..Hα-helixtrans-62.5-37.4175.776.40000112.5Q238 A255 L256 C263Q238-S259 VanDerWaalsContact CG-OG 3.32Å; Q238-S259 WeakPolarHBondContact CG-OG 3.3Å; Q238-S259 PolarHBondContact NE2-OG 2.88Å; A255-S259 VanDerWaalsContact O-CB 3.24Å; A255-S259 WeakPolarHBondContact O-CB 3.39Å; A255-S259 PolarHBondContact O-N 3.14Å; A255-S259 PolarHBondContact O-OG 3.25Å; L256-S259 PolarHBondContact O-N 3.01Å; L256-S259 VanDerWaalsContact O-N 3.16Å; L256-S259 PolarHBondContact O-OG 3.43Å; S259-C263 WeakPolarHBondContact O-CB 3.22Å; S259-C263 PolarHBondContact O-N 2.97Å
260E96.9Very high83.2Confident109 Ų10973 Ų7351%0.50941%0.405SS..Hα-helixtrans-68.3-49.8177.1-171.4171.8-166.300110.8L256 S257 E258 L262 C263 C264L256-E260 PolarHBondContact O-N 2.88Å; S257-E260 PolarHBondContact O-N 3.46Å; E258-E260 VanDerWaalsContact C-N 3.3Å; E258-E260 PolarHBondContact O-N 2.97Å; E260-L262 VanDerWaalsContact C-N 3.33Å; E260-L262 PolarHBondContact O-N 3.29Å; E260-C263 WeakPolarHBondContact O-CA 3.35Å; E260-C263 WeakPolarHBondContact O-CB 3.34Å; E260-C263 PolarHBondContact O-N 3.36Å; E260-C264 PolarHBondContact O-N 3.49Å; E260-C264 PolarHBondContact O-SG 3.14Å
261R97Very high80Confident117 Ų11774.9 Ų74.944%0.44242%0.422SS..Hα-helixtrans-55.7-45.5176.5-171.2-1796876.42.2112.1S257 E258 C264 N265S257-R261 PolarHBondContact O-N 3.39Å; E258-R261 PolarHBondContact O-N 2.99Å; E258-R261 IonicContact OE1-CZ 3.46Å; E258-R261 IonicContact OE1-NE 3.36Å; E258-R261 PolarHBondContact OE1-NE 3.48Å; E258-R261 IonicContact OE1-NH2 3.31Å; E258-R261 PolarHBondContact OE1-NH2 2.96Å; E258-R261 IonicContact OE2-CZ 3.67Å; E258-R261 IonicContact OE2-NE 2.69Å; E258-R261 IonicContact OE2-NH2 2.76Å; E258-R261 PolarHBondContact OE2-NH2 3.46Å; R261-C264 PolarHBondContact O-N 2.91Å; R261-N265 WeakPolarHBondContact O-CB 3.24Å; R261-N265 VanDerWaalsContact O-CG 3.28Å; R261-N265 PolarHBondContact O-N 2.69Å
262L96Very high77.1Confident54 Ų5480 Ų8028%0.28344%0.439SS..Hα-helixtrans-68.4-33.9176.1-68.2170.9000112.4R237 L241 E258 E260R237-L262 PolarHBondContact NH2-O 3.39Å; L241-L262 HydrophobicContact CD1-CB 3.96Å; L241-L262 HydrophobicContact CD2-CB 4.33Å; L241-L262 HydrophobicContact CD2-CD1 4.5Å; E258-L262 WeakPolarHBondContact O-CB 3.47Å; E258-L262 WeakPolarHBondContact O-CG 3.47Å; E258-L262 PolarHBondContact O-N 3.24Å; E260-L262 VanDerWaalsContact C-N 3.33Å; E260-L262 PolarHBondContact O-N 3.29Å
263C92.1Very high74.2Confident24 Ų2485.7 Ų85.716%0.16247%0.466CS..Hα-helixtrans-66.1-42.7175.8-171.90000111.4R237 Q238 L241 S259 E260 S266R237-C263 PolarHBondContact NH1-O 2.94Å; R237-C263 PolarHBondContact NH1-SG 3.37Å; Q238-C263 HydrophobicContact CB-CB 4.45Å; L241-C263 HydrophobicContact CD1-CB 4.09Å; S259-C263 WeakPolarHBondContact O-CB 3.22Å; S259-C263 PolarHBondContact O-N 2.97Å; E260-C263 WeakPolarHBondContact O-CA 3.35Å; E260-C263 WeakPolarHBondContact O-CB 3.34Å; E260-C263 PolarHBondContact O-N 3.36Å; C263-S266 PolarHBondContact O-OG 3.41Å
264C86.5Confident71.3Confident79 Ų7990 Ų9053%0.53447%0.473SS..Hα-helixtrans-69.2-44.1177.1-66.30000112.8E260 R261 S266 M267E260-C264 PolarHBondContact O-N 3.49Å; E260-C264 PolarHBondContact O-SG 3.14Å; R261-C264 PolarHBondContact O-N 2.91Å; C264-S266 PolarHBondContact O-N 2.77Å; C264-S266 VanDerWaalsContact O-N 3.15Å; C264-M267 WeakPolarHBondContact O-CB 3.48Å; C264-M267 PolarHBondContact O-N 3.49Å
265N77.7Confident68.2Low92 Ų9293.2 Ų93.249%0.49249%0.485SS..Hα-helixtrans-61.5-27.6-173-81.1-0.1000114.4R261 M267 S268R261-N265 WeakPolarHBondContact O-CB 3.24Å; R261-N265 VanDerWaalsContact O-CG 3.28Å; R261-N265 PolarHBondContact O-N 2.69Å; N265-M267 PolarHBondContact O-N 2.88Å; N265-S268 PolarHBondContact O-N 3.1Å; N265-S268 PolarHBondContact O-OG 3.14Å
266S63.4Low65Low53 Ų5399.7 Ų99.737%0.37152%0.52SS..G310 helixtrans-69.4-19176.564.40000114.2R237 C263 C264 S268R237-S266 PolarHBondContact NH1-OG 2.89Å; R237-S266 VanDerWaalsContact NH2-CB 3.29Å; R237-S266 PolarHBondContact NH2-OG 3.29Å; C263-S266 PolarHBondContact O-OG 3.41Å; C264-S266 PolarHBondContact O-N 2.77Å; C264-S266 VanDerWaalsContact O-N 3.15Å; S266-S268 PolarHBondContact O-N 3.06Å
267M56.1Low62Low146 Ų146102.5 Ų102.572%0.71955%0.545SS*.G310 helixtrans-78.6-2.3-177.5-148.576.389.500112.5C264 N265C264-M267 WeakPolarHBondContact O-CB 3.48Å; C264-M267 PolarHBondContact O-N 3.49Å; N265-M267 PolarHBondContact O-N 2.88Å
268S33.2Very low59.1Low94 Ų94105.5 Ų105.566%0.65756%0.561SS**G310 helixtrans-861.4-175.563.10000115.1N265 S266N265-S268 PolarHBondContact O-N 3.1Å; N265-S268 PolarHBondContact O-OG 3.14Å; S266-S268 PolarHBondContact O-N 3.06Å
269Y30.2Very low55.9Low188 Ų188108.4 Ų108.474%0.73758%0.578SS**SBendtrans-77.7122.8164.8-75.6-76.7000110V271Y269-V271 VanDerWaalsContact C-N 3.33Å; Y269-V271 PolarHBondContact O-N 3.05Å
270P35.4Very low52.9Low131 Ų131112.5 Ų112.585%0.85161%0.606SS**  trans-7582.1-173.330.5-35.8000111.8H272P270-H272 PolarHBondContact O-N 3.14Å
271V32.3Very low50.1Low101 Ų101113.7 Ų113.761%0.61262%0.616SS**  trans-87.293.5169.3-177.40000108.9Y269 L273Y269-V271 VanDerWaalsContact C-N 3.33Å; Y269-V271 PolarHBondContact O-N 3.05Å; V271-L273 PolarHBondContact O-N 2.87Å
272H37.1Very low47.1Very low177 Ų177112.3 Ų112.382%0.81962%0.624SS**SBendtrans-49.7132.4153.9-132.9-82.4000107.5P270P270-H272 PolarHBondContact O-N 3.14Å
273L37.8Very low43.8Very low156 Ų156116.2 Ų116.282%0.81765%0.645SS**  trans79.271.2-168.1-5986.9000117.3V271V271-L273 PolarHBondContact O-N 2.87Å
274Q36.6Very low40.7Very low141 Ų141122.6 Ų122.666%0.65967%0.674SS**  trans-135.9-16.2145.8-104.8-176.331.200116.1N276 A277Q274-N276 PolarHBondContact O-N 2.83Å; Q274-N276 VanDerWaalsContact O-N 3.14Å; Q274-A277 PolarHBondContact O-N 3.28Å
275H33.3Very low37.9Very low173 Ų173128 Ų12880%0.80169%0.689SS**THydrogen-bonded Turntrans-65.3-16.5-180-101.9-75.5000116
276N31.7Very low35.6Very low136 Ų136130 Ų13073%0.72770%0.704SS**THydrogen-bonded Turntrans-94.3-15.6-176.1-74.7-3.2000114.9Q274 S280Q274-N276 PolarHBondContact O-N 2.83Å; Q274-N276 VanDerWaalsContact O-N 3.14Å; N276-S280 PolarHBondContact O-N 2.92Å
277A34.8Very low33.6Very low75 Ų75134.8 Ų134.862%0.6273%0.725SS**THydrogen-bonded Turntrans-70.3-36.8-176.800000112.6Q274Q274-A277 PolarHBondContact O-N 3.28Å
278V36.2Very low32.3Very low122 Ų122131.8 Ų131.874%0.73972%0.724SS**THydrogen-bonded Turntrans-77.3-33.7-176.2-162.10000112
279N31Very low31.9Very low109 Ų109134.2 Ų134.258%0.58374%0.735SS**THydrogen-bonded Turntrans-83.7-7.7-178.8-80-10.8000114.5S282N279-S282 PolarHBondContact O-OG 3.13Å
280S36.7Very low31.7Very low86 Ų86130.5 Ų130.560%0.60174%0.736SS**THydrogen-bonded Turntrans-82.3-17.4-179.6-165.80000114.1N276N276-S280 PolarHBondContact O-N 2.92Å
281L38Very low31.1Very low134 Ų134130.4 Ų130.470%0.70273%0.734SS**SBendtrans-91.8-21.2179.8-99.670.4000113.9N283L281-N283 PolarHBondContact O-N 3.48Å
282S34Very low30.8Very low88 Ų88131.5 Ų131.562%0.61574%0.743SS**THydrogen-bonded Turntrans-69.3-15.4175.652.10000113.6N279N279-S282 PolarHBondContact O-OG 3.13Å
283N26.5Very low30Very low136 Ų136129 Ų12973%0.72775%0.745SS**THydrogen-bonded Turntrans-103.515.6-178.4-86.5-26.9000114.9L281 K285L281-N283 PolarHBondContact O-N 3.48Å; N283-K285 VanDerWaalsContact C-N 3.29Å; N283-K285 PolarHBondContact O-N 3.4Å
284M26.3Very low29.2Very low158 Ų158131.2 Ų131.278%0.77875%0.748SS**  trans-70.591.2162-69.6-141.477.900109.3V286M284-V286 PolarHBondContact O-N 2.94Å
285K28.1Very low28.5Very low193 Ų193133.4 Ų133.484%0.83976%0.755SS**  trans-52112.4174.1-78.1-178.5173.5179.30110N283 N287N283-K285 VanDerWaalsContact C-N 3.29Å; N283-K285 PolarHBondContact O-N 3.4Å; K285-N287 PolarHBondContact O-N 3.04Å
286V28.5Very low27.9Very low134 Ų134133.8 Ų133.881%0.81276%0.757SS**  trans-58.5128.6159.9179.40000107M284 A288M284-V286 PolarHBondContact O-N 2.94Å; V286-A288 VanDerWaalsContact C-N 3.29Å; V286-A288 PolarHBondContact O-N 3.42Å
287N22.8Very low27.3Very low153 Ų153137.1 Ų137.182%0.81877%0.766SS**  trans-68.986.3180-78.8-29.8000110.2K285 T289K285-N287 PolarHBondContact O-N 3.04Å; N287-T289 PolarHBondContact O-N 3.32Å
288A28.1Very low26.6Very low83 Ų83142.8 Ų142.869%0.68678%0.776SS**  trans-67.8110165.400000108.6V286 S290V286-A288 VanDerWaalsContact C-N 3.29Å; V286-A288 PolarHBondContact O-N 3.42Å; A288-S290 PolarHBondContact O-N 3.46Å; A288-S290 PolarHBondContact O-OG 3.27Å
289T24.5Very low25.9Very low145 Ų145144.1 Ų144.189%0.8978%0.779SS**  trans-54.299.9-178.5-470000111N287N287-T289 PolarHBondContact O-N 3.32Å
290S25.4Very low25.3Very low109 Ų109148.8 Ų148.876%0.76279%0.794SS**  trans-105.1129.1173.234.50000110A288A288-S290 PolarHBondContact O-N 3.46Å; A288-S290 PolarHBondContact O-OG 3.27Å
291T23.2Very low24.6Very low130 Ų130154.1 Ų154.180%0.79881%0.807SS**  trans-69.1155.8-173.120.50000112.8S293T291-S293 PolarHBondContact O-N 3.11Å
292P25.6Very low23.7Very low124 Ų124152.1 Ų152.181%0.80580%0.804SS**  trans-84.3123.9-151.831-35.9000114.2
293S22.1Very low23.3Very low123 Ų123154.8 Ų154.886%0.8681%0.811SS**  trans-109.9125.2165.7-74.70000111.7T291T291-S293 PolarHBondContact O-N 3.11Å
294K20.7Very low23Very low203 Ų203154 Ų15488%0.88381%0.811SS**  trans-70.4132.9-174-58.7160.1180169.80111.8
295K21.7Very low22.8Very low187 Ų187152 Ų15281%0.81381%0.813SS**  trans-172.2122.1130-105.8163.4-175.2179.20116.1
296Q21.1Very low22.5Very low181 Ų181154.1 Ų154.185%0.84682%0.815SS**  trans59.5110.7136.6-67179.8-5.100122.6
297K17.6Very low22.2Very low207 Ų207152.8 Ų152.890%0.981%0.812SS**  trans-36141.1149.8-61.1167.2173.4175.10114.4
298K21.5Very low22.4Very low193 Ų193150.5 Ų150.584%0.83981%0.806SS**  trans-158.4124.8132.8-113.3169.8-174.5179.30114
299N20.8Very low22.2Very low151 Ų151154.7 Ų154.781%0.80782%0.816SS**  trans59108.9149.2-62.71.4000123.1
300K18.6Very low22Very low206 Ų206155.9 Ų155.990%0.89681%0.812SS**  trans-59.2147146.6-68.6170.5167.3178.70112.4
301K21.9Very low21.9Very low199 Ų199155.9 Ų155.987%0.86581%0.812SS**  trans-173.1110.2140-99.2-176.5179.9-175.90106.3
302S19.6Very low21.7Very low91 Ų91157 Ų15764%0.63681%0.812SS**  76.7112.876.2730000114.4
303N23.9Very low21.5Very low145 Ų145155.3 Ų155.378%0.77580%0.803SS**  trans165.6113.5138.4-82.5-0.3000107.4
304T20.2Very low21.5Very low119 Ų119157.3 Ų157.373%0.7380%0.798SS**  84.2135.358.959.50000115.6
305S22.6Very low21.5Very low115 Ų115154.9 Ų154.980%0.80480%0.795SS**  trans74.6145.1175.581.50000115.7
306R22.6Very low21.6Very low238 Ų238149.2 Ų149.290%0.89879%0.79SS**  cis-155.8144.15.7-141.7170.7-173.5169-0.8111.1
307S22.1Very low21.6Very low106 Ų106149.4 Ų149.474%0.74179%0.788SS**  trans-69.9176.4158.2-48.40000110.1
308P26.8Very low21.6Very low105 Ų105146.2 Ų146.268%0.68279%0.786SS**  cis-142.3177.614.543.4-24.8000117.4
309N24.3Very low21.6Very low171 Ų171140.3 Ų140.391%0.91478%0.78SS**  trans-150.3140.2131.3-106.9-13.9000110.3
310Q20.4Very low21.6Very low171 Ų171141.7 Ų141.780%0.79978%0.781SS**  trans-130.8137-178.4-72.1177.8-55.500109.8
311S22.4Very low21.6Very low109 Ų109141 Ų14176%0.76278%0.778SS**  trans174.7120.5153.651.90000106.2
312I19.6Very low21.7Very low154 Ų154136.8 Ų136.879%0.7977%0.774SS**  cis58.7124.248.9-49170.1000109.3
313S21.7Very low21.8Very low88 Ų88143.3 Ų143.362%0.61579%0.785SS**  cis-125.6-153.37.445.90000109.9
314E22.2Very low21.6Very low165 Ų165143.5 Ų143.577%0.77179%0.786SS**  cis-152.6174.45.2-151.2141.4-77.500114.3
315D20.6Very low21.6Very low151 Ų151149 Ų14981%0.80779%0.793SS**  trans-49.7167.3-178.3-73.9-74.4000122
316G22.3Very low21.4Very low69 Ų69149.3 Ų149.371%0.71179%0.791SS**  trans147.963.3161.600000116.4
317K20.9Very low21.4Very low184 Ų184143.4 Ų143.480%0.879%0.786SS**  47.7101.4104.2-84.1-177.1-178171.70117.1
318T19.2Very low21.5Very low140 Ų140144.1 Ų144.186%0.85979%0.791SS**  84.5130.598.553.30000118
319G22Very low21.2Very low69 Ų69146.5 Ų146.571%0.71180%0.798SS**  trans150.286.6169.400000111.7
320E20.9Very low21.3Very low180 Ų180144.7 Ų144.784%0.84179%0.792SS**  56.2106.2100-66.4-153.1117.900115.3
321K18.3Very low21.4Very low191 Ų191140.6 Ų140.683%0.8379%0.788SS**  6395.185.7-80.3-173.9176.7171.90115.8
322S24.3Very low21.5Very low111 Ų111143 Ų14378%0.77679%0.792SS**  trans-165.2121.1136-860000108.7
323R20.3Very low21.5Very low229 Ų229143.7 Ų143.786%0.86480%0.798SS**  79.3107.170.6-83.6-175.9169.9163.4-2.7114.4
324N19.4Very low21.7Very low149 Ų149144 Ų14480%0.79781%0.805SS**  trans39.1116.1138.4-57.84.6000120.6
325R21.8Very low21.6Very low233 Ų233145.3 Ų145.388%0.87981%0.811SS**  -174.5118.3108.4-100165.9167.2175.4-5.2109.1
326T18.4Very low21.7Very low123 Ų123143.9 Ų143.976%0.75581%0.813SS**  45.5126.686.528.60000117.6
327S20.6Very low21.8Very low114 Ų114150 Ų15080%0.79782%0.82SS**  trans77.3106.4152.6-53.90000119.6
328S25.2Very low21.8Very low120 Ų120151.3 Ų151.384%0.83983%0.826SS**  -157.9139.5109.457.70000112.9
329N21Very low21.9Very low155 Ų155150.4 Ų150.483%0.82982%0.824SS**  trans-63.1145.7178-51.1-42.4000112.7
330V26.5Very low21.9Very low133 Ų133149.7 Ų149.781%0.80682%0.817SS**  -136.4117.8125.7179.20000107.6
331A21.6Very low22.1Very low86 Ų86150.7 Ų150.771%0.71182%0.821SS**  trans-87.4141164.100000108.6
332N24.5Very low22.5Very low158 Ų158149.8 Ų149.885%0.84582%0.82SS**  trans-143.7129155.8-100.2-28.6000109.4
333N19.8Very low22.5Very low169 Ų169149 Ų14990%0.90481%0.814SS**  trans-67.2141.7175.1-74.7-30.4000110.8
334A25.4Very low22.8Very low94 Ų94142.3 Ų142.378%0.77781%0.808SS**  trans-154.3131.7132.400000108.7
335E20.1Very low23.1Very low193 Ų193144.1 Ų144.190%0.90281%0.809SS**  trans-66.3135.5-179.9-61164.5124.700110.5
336S24Very low23.3Very low121 Ų121142.9 Ų142.985%0.84681%0.81SS**  trans-129.4115.9163.5-79.10000109
337K24Very low23.5Very low197 Ų197141.7 Ų141.786%0.85781%0.807SS**  trans-63.6131.9-169.6-69.2168.1175.61710110.9C339K337-C339 PolarHBondContact O-N 3.15Å
338K19.9Very low23.6Very low213 Ų213145.6 Ų145.693%0.92681%0.81SS**  trans-58.7121.3152.6-80.7-179.7171-179.20108.1
339C21.5Very low23.6Very low121 Ų121145.4 Ų145.482%0.81880%0.804SS**  trans-152.2120165.1-139.50000112K337K337-C339 PolarHBondContact O-N 3.15Å
340G23.4Very low23.6Very low54 Ų54142 Ų14256%0.55779%0.792SS**  trans64.7101.8146.200000119.2H342G340-H342 VanDerWaalsContact C-N 3.29Å; G340-H342 PolarHBondContact O-N 3.06Å
341E24.5Very low23.6Very low200 Ų200143.5 Ų143.594%0.93579%0.793SS**  trans-62.490150-67.3172148.100109.5S343E341-S343 VanDerWaalsContact C-N 3.29Å; E341-S343 PolarHBondContact O-N 3.15Å
342H25.5Very low23.7Very low173 Ų173144.4 Ų144.480%0.80179%0.79SS**  trans-79.479.2172.3-83.4-78.9000110.6G340 A344G340-H342 VanDerWaalsContact C-N 3.29Å; G340-H342 PolarHBondContact O-N 3.06Å; H342-A344 PolarHBondContact O-N 3.42Å
343S25Very low23.7Very low94 Ų94144.3 Ų144.366%0.65779%0.789SS**  trans-62.4106.2158.5690000108.2E341 K345E341-S343 VanDerWaalsContact C-N 3.29Å; E341-S343 PolarHBondContact O-N 3.15Å; S343-K345 PolarHBondContact O-N 3.04Å
344A27.6Very low24.1Very low88 Ų88139.8 Ų139.873%0.72778%0.783SS**  trans-74.873.4-17900000110.4H342 F346H342-A344 PolarHBondContact O-N 3.42Å; A344-F346 PolarHBondContact O-N 3Å
345K24.7Very low24.1Very low187 Ų187144.6 Ų144.681%0.81379%0.786SS**  trans-64.597.7166.5-73.8-175.2176.4177.40108.4S343 S347S343-K345 PolarHBondContact O-N 3.04Å; K345-S347 PolarHBondContact O-N 3.3Å
346F26.1Very low24.3Very low207 Ų207144.7 Ų144.791%0.90878%0.784SS**  trans-56.4106.3168.1-101.1-93.7000109.1A344A344-F346 PolarHBondContact O-N 3Å
347S23Very low24.3Very low99 Ų99146.2 Ų146.269%0.69278%0.783SS**  trans-76.9128.3168.7490000109K345 V349K345-S347 PolarHBondContact O-N 3.3Å; S347-V349 PolarHBondContact O-N 2.98Å
348F22.8Very low24.2Very low195 Ų195141.3 Ų141.386%0.85577%0.773SS**  trans-70.1101.4174.8-173.1-94.4000108.8S350F348-S350 PolarHBondContact O-N 2.86Å; F348-S350 VanDerWaalsContact O-N 3.08Å
349V23.8Very low24.4Very low117 Ų117138.8 Ų138.871%0.70977%0.77SS**  trans-70.5104.3171.4177.80000107.6S347 I351S347-V349 PolarHBondContact O-N 2.98Å; V349-I351 PolarHBondContact O-N 2.92Å
350S22.8Very low24.4Very low83 Ų83137.4 Ų137.458%0.5876%0.761SS**  trans-66.9100.3174.555.30000110F348 V352F348-S350 PolarHBondContact O-N 2.86Å; F348-S350 VanDerWaalsContact O-N 3.08Å; S350-V352 PolarHBondContact O-N 3.5Å
351I26.1Very low24.4Very low164 Ų164141 Ų14184%0.84177%0.768SS**  trans-73.796.6168.3-60.8176000107.4V349V349-I351 PolarHBondContact O-N 2.92Å
352V23Very low24.3Very low106 Ų106137.8 Ų137.864%0.64276%0.757SS**  trans-120.8131.1168.3-150.80000107.1S350S350-V352 PolarHBondContact O-N 3.5Å
353D25.6Very low24.3Very low155 Ų155135.4 Ų135.483%0.82975%0.75SS**  trans59.675.8169.3-56-25.4000118.5
354G27.4Very low24.2Very low74 Ų74137 Ų13776%0.76375%0.751SS**  trans-108.898.9153.600000110.3
355K26Very low24.1Very low196 Ų196139.2 Ų139.285%0.85275%0.751SS**  trans-67.2137.8178.3-78.9178.6176.6174.80111.4D357K355-D357 PolarHBondContact O-N 3.43Å
356F22.8Very low24.1Very low194 Ų194136.3 Ų136.385%0.85175%0.745SS**  trans-77.9105.1172.9-135.9-95.5000108.5
357D25Very low24.1Very low154 Ų154132.7 Ų132.782%0.82474%0.735SS**  trans-117.4130.3168.7-93.4-42.7000110.1K355K355-D357 PolarHBondContact O-N 3.43Å
358S21.2Very low24.2Very low94 Ų94134.1 Ų134.166%0.65774%0.735SS**  trans-105.6119.4-170.5-58.20000111.4
359N23.8Very low24.3Very low160 Ų160132.6 Ų132.686%0.85674%0.735SS**  trans-170.1123.8148.1-99.7-29.4000107.5
360S22Very low24.7Very low91 Ų91133.3 Ų133.364%0.63674%0.74SS**  91.3132.755.1-169.80000112.5
361N22.7Very low24.9Very low129 Ų129136 Ų13669%0.6975%0.747SS**  trans77.8105.7167.7-65.7-18000120.6
362N23.4Very low25.2Very low133 Ų133135.7 Ų135.771%0.71175%0.748SS**  94.3135.1110.5-74.34.6000122.7
363N24.5Very low25.6Very low123 Ų123138.1 Ų138.166%0.65876%0.757SS**  trans83.8110.4146-72.239.3000120.9
364D24.8Very low26.1Very low128 Ų128136.3 Ų136.368%0.68475%0.751SS**  77.3135.9120.5-52.4-22.7000122.6
365D25.4Very low26.6Very low135 Ų135137 Ų13772%0.72274%0.738SS**  trans78.9106.7143.9-78.92.9000122.6
366N24.4Very low27.4Very low126 Ų126134.5 Ų134.567%0.67474%0.739SS**  89129.5124.4-73.4-48.5000121.9
367N25.2Very low27.8Very low131 Ų131127 Ų12770%0.70172%0.716SS**  trans87.5117.1143.3-79.8-26.6000122.5
368N25.7Very low28.2Very low129 Ų129124.8 Ų124.869%0.6970%0.703SS**  trans82.3113.4131-64.9-25.6000121.4
369N24.6Very low29Very low162 Ų162126.6 Ų126.687%0.86670%0.701SS**  trans36.998.2136.8-70.7-0.4000118.5
370V31.6Very low29.5Very low133 Ų133124 Ų12481%0.80669%0.685SS**  trans-133.6137.8148.3-178.80000108.8
371N28Very low30Very low139 Ų139123 Ų12374%0.74368%0.676SS**  trans-46.3140-169.8-52.2-50.9000116.3D373N371-D373 VanDerWaalsContact C-N 3.29Å; N371-D373 PolarHBondContact O-N 2.78Å
372D32.5Very low30.8Very low158 Ų158120 Ų12085%0.84567%0.665SS**  trans-72.873.4168.6-61-56.7000112.1
373D31.6Very low31.5Very low157 Ų157120 Ų12084%0.8466%0.656SS**  trans-101.260.2160.3-88.5-41.5000109.5N371N371-D373 VanDerWaalsContact C-N 3.29Å; N371-D373 PolarHBondContact O-N 2.78Å
374V35Very low32.2Very low116 Ų116120 Ų12070%0.70365%0.647SS**  trans-143.7125.4171.8-149.80000104.3
375D38.5Very low32.9Very low90 Ų90122.7 Ų122.748%0.48165%0.652SS.*  -163.910456.6177.430.4000113.6G377 L378D375-G377 PolarHBondContact OD1-N 2.96Å; D375-G377 VanDerWaalsContact OD1-N 3.15Å; D375-L378 VanDerWaalsContact OD1-CB 3.27Å; D375-L378 WeakPolarHBondContact OD1-CB 3.48Å; D375-L378 WeakPolarHBondContact OD1-CG 3.44Å; D375-L378 PolarHBondContact OD1-N 3.21Å; D375-L378 WeakPolarHBondContact OD2-CB 3.49Å; D375-L378 WeakPolarHBondContact OD2-CD1 3.44Å
376T42.3Very low33.9Very low143 Ų143121.4 Ų121.488%0.87765%0.645SS**SBendtrans-114.15.9155.350.80000111.7
377G32Very low34.8Very low36 Ų36118.3 Ų118.337%0.37163%0.625SS.*SBendtrans-91-35.9-175.400000113.5D375 Q379 M380 V381D375-G377 PolarHBondContact OD1-N 2.96Å; D375-G377 VanDerWaalsContact OD1-N 3.15Å; G377-Q379 PolarHBondContact O-N 3.31Å; G377-M380 PolarHBondContact O-N 3.32Å; G377-M380 VanDerWaalsContact O-N 3.14Å; G377-V381 WeakPolarHBondContact O-CG2 3.23Å; G377-V381 PolarHBondContact O-N 3.28Å
378L32.5Very low36.3Very low107 Ų107119.2 Ų119.256%0.5663%0.625SS**Hα-helixtrans-67.9-31.9-170.9-73.5171.5000113.3D375 M380 V381 S382D375-L378 VanDerWaalsContact OD1-CB 3.27Å; D375-L378 WeakPolarHBondContact OD1-CB 3.48Å; D375-L378 WeakPolarHBondContact OD1-CG 3.44Å; D375-L378 PolarHBondContact OD1-N 3.21Å; D375-L378 WeakPolarHBondContact OD2-CB 3.49Å; D375-L378 WeakPolarHBondContact OD2-CD1 3.44Å; L378-M380 PolarHBondContact O-N 3.38Å; L378-V381 PolarHBondContact O-N 2.72Å; L378-S382 WeakPolarHBondContact O-CB 3.44Å; L378-S382 PolarHBondContact O-N 2.89Å; L378-S382 PolarHBondContact O-OG 3.03Å
379Q38.5Very low38.3Very low132 Ų132117.1 Ų117.162%0.61761%0.613SS**Hα-helixtrans-63.5-38172.4-78.2-160.71500112.7G377 S382 Y383G377-Q379 PolarHBondContact O-N 3.31Å; Q379-S382 PolarHBondContact O-OG 3.05Å; Q379-Y383 WeakPolarHBondContact O-CD2 3.42Å
380M33.2Very low40.7Very low105 Ų105111.7 Ų111.752%0.51758%0.584SS.*Hα-helixtrans-73.5-41.1172.9-91.6-166.961.400112G377 L378 S382 Y383 W384G377-M380 PolarHBondContact O-N 3.32Å; G377-M380 VanDerWaalsContact O-N 3.14Å; L378-M380 PolarHBondContact O-N 3.38Å; M380-S382 VanDerWaalsContact C-N 3.31Å; M380-S382 PolarHBondContact O-N 3.15Å; M380-Y383 PolarHBondContact O-N 3.36Å; M380-W384 HydrophobicContact CE-CZ2 4.48Å; M380-W384 PolarHBondContact O-N 3.45Å
381V32.9Very low42.7Very low72 Ų72114.4 Ų114.444%0.43658%0.58SS.*Hα-helixtrans-66.2-30.9-176.4171.70000112.6G377 L378 W384 K385G377-V381 WeakPolarHBondContact O-CG2 3.23Å; G377-V381 PolarHBondContact O-N 3.28Å; L378-V381 PolarHBondContact O-N 2.72Å; V381-W384 PolarHBondContact O-N 2.85Å; V381-K385 PolarHBondContact O-N 3.21Å
382S40.2Very low44.9Very low65 Ų65113.9 Ų113.946%0.45558%0.577SS.*Hα-helixtrans-63.1-42.8174.664.70000112.2L378 Q379 M380 K385L378-S382 WeakPolarHBondContact O-CB 3.44Å; L378-S382 PolarHBondContact O-N 2.89Å; L378-S382 PolarHBondContact O-OG 3.03Å; Q379-S382 PolarHBondContact O-OG 3.05Å; M380-S382 VanDerWaalsContact C-N 3.31Å; M380-S382 PolarHBondContact O-N 3.15Å; S382-K385 PolarHBondContact O-N 3.13Å
383Y38.3Very low46.7Very low134 Ų134110.7 Ų110.753%0.52556%0.556SS.*Hα-helixtrans-62.8-40.2173.1-82.7-80.8000112.6Q379 M380 K385 L386 F387Q379-Y383 WeakPolarHBondContact O-CD2 3.42Å; M380-Y383 PolarHBondContact O-N 3.36Å; Y383-K385 VanDerWaalsContact C-N 3.32Å; Y383-K385 PolarHBondContact O-N 3.08Å; Y383-L386 PolarHBondContact O-N 2.79Å; Y383-L386 VanDerWaalsContact O-N 3.15Å; Y383-F387 PolarHBondContact O-N 3.37Å
384W38.3Very low48.6Very low123 Ų123105.6 Ų105.647%0.46653%0.528SS..Hα-helixtrans-64.8-31.3-179.5-73.8111.3000113.8M380 V381 L386 F387M380-W384 HydrophobicContact CE-CZ2 4.48Å; M380-W384 PolarHBondContact O-N 3.45Å; V381-W384 PolarHBondContact O-N 2.85Å; W384-L386 PolarHBondContact O-N 2.66Å; W384-F387 HydrophobicContact CE3-CB 4.16Å; W384-F387 HydrophobicContact CE3-CD1 4.09Å; W384-F387 HydrophobicContact CE3-CD2 4.45Å; W384-F387 AromaticContact CE3-CG 3.99Å; W384-F387 HydrophobicContact CE3-CG 3.99Å; W384-F387 AromaticContact CZ3-CD1 3.88Å; W384-F387 HydrophobicContact CZ3-CD1 3.88Å; W384-F387 HydrophobicContact CZ3-CD2 4.43Å; W384-F387 AromaticContact CZ3-CE1 3.97Å; W384-F387 HydrophobicContact CZ3-CE1 3.97Å; W384-F387 HydrophobicContact CZ3-CG 4.12Å; W384-F387 HydrophobicContact CZ3-CZ 4.29Å; W384-F387 WeakPolarHBondContact O-CB 3.36Å; W384-F387 PolarHBondContact O-N 2.72Å
385K39.9Very low50.4Low183 Ų183104.9 Ų104.980%0.79652%0.52SS*.Hα-helixtrans-65.8-22.6175.3-80-176.6175.3177.20113.7V381 S382 Y383V381-K385 PolarHBondContact O-N 3.21Å; S382-K385 PolarHBondContact O-N 3.13Å; Y383-K385 VanDerWaalsContact C-N 3.32Å; Y383-K385 PolarHBondContact O-N 3.08Å
386L47.3Very low52.1Low109 Ų109106.5 Ų106.557%0.57153%0.525SS*.THydrogen-bonded Turntrans-97.5-0.1177.7-67.6168.2000113Y383 W384 Q388Y383-L386 PolarHBondContact O-N 2.79Å; Y383-L386 VanDerWaalsContact O-N 3.15Å; W384-L386 PolarHBondContact O-N 2.66Å; L386-Q388 PolarHBondContact O-N 3.35Å
387F42Very low53.4Low61 Ų61100.5 Ų100.527%0.26849%0.488SS..  trans-76.580.1-170.4-162-101.1000112.6N25 Y383 W384 I389N25-F387 HydrophobicContact CB-CD2 4.31Å; N25-F387 HydrophobicContact CB-CE1 4.35Å; N25-F387 HydrophobicContact CB-CE2 3.7Å; N25-F387 HydrophobicContact CB-CZ 3.72Å; Y383-F387 PolarHBondContact O-N 3.37Å; W384-F387 HydrophobicContact CE3-CB 4.16Å; W384-F387 HydrophobicContact CE3-CD1 4.09Å; W384-F387 HydrophobicContact CE3-CD2 4.45Å; W384-F387 AromaticContact CE3-CG 3.99Å; W384-F387 HydrophobicContact CE3-CG 3.99Å; W384-F387 AromaticContact CZ3-CD1 3.88Å; W384-F387 HydrophobicContact CZ3-CD1 3.88Å; W384-F387 HydrophobicContact CZ3-CD2 4.43Å; W384-F387 AromaticContact CZ3-CE1 3.97Å; W384-F387 HydrophobicContact CZ3-CE1 3.97Å; W384-F387 HydrophobicContact CZ3-CG 4.12Å; W384-F387 HydrophobicContact CZ3-CZ 4.29Å; W384-F387 WeakPolarHBondContact O-CB 3.36Å; W384-F387 PolarHBondContact O-N 2.72Å; F387-I389 HydrophobicContact CD1-CD1 4.28Å; F387-I389 HydrophobicContact CD1-CG1 3.75Å; F387-I389 HydrophobicContact CE1-CD1 4.05Å; F387-I389 HydrophobicContact CE1-CG1 3.6Å; F387-I389 PolarHBondContact O-N 2.95Å
388Q57.8Low55.2Low150 Ų150102.6 Ų102.670%0.70149%0.491SS*.  trans-75.9117.5168.8-65.1-165.321.400110.5N25 L386N25-Q388 PolarHBondContact OD1-O 3.48Å; L386-Q388 PolarHBondContact O-N 3.35Å
389I67.5Low57.2Low85 Ų85101.2 Ų101.244%0.43649%0.489SS..  trans-83.6116.1175.1-60.3175.2000109.5N25 F387 R391 L394N25-I389 WeakPolarHBondContact OD1-CA 3.32Å; F387-I389 HydrophobicContact CD1-CD1 4.28Å; F387-I389 HydrophobicContact CD1-CG1 3.75Å; F387-I389 HydrophobicContact CE1-CD1 4.05Å; F387-I389 HydrophobicContact CE1-CG1 3.6Å; F387-I389 PolarHBondContact O-N 2.95Å; I389-R391 VanDerWaalsContact C-N 3.27Å; I389-R391 HydrophobicContact CG2-CG 4.23Å; I389-R391 PolarHBondContact O-N 3.44Å; I389-L394 HydrophobicContact CG2-CD2 4.1Å
390D74.1Confident58.5Low47 Ų4798.9 Ų98.925%0.25148%0.481SS..  trans-71.285.4167.5-172.8-22.6000109.6L24 N25 N392 K393 L394L24-D390 HydrophobicContact CD1-CB 4.15Å; L24-D390 HydrophobicContact CG-CB 4.42Å; N25-D390 PolarHBondContact OD1-N 3.25Å; D390-N392 PolarHBondContact O-N 2.99Å; D390-N392 PolarHBondContact OD1-N 3.45Å; D390-K393 HydrophobicContact CB-CB 4.41Å; D390-K393 PolarHBondContact O-N 2.95Å; D390-K393 PolarHBondContact OD1-N 3.41Å; D390-K393 WeakPolarHBondContact OD2-CD 3.38Å; D390-K393 WeakPolarHBondContact OD2-CE 3.46Å; D390-K393 WeakPolarHBondContact OD2-CG 3.39Å; D390-K393 IonicContact OD2-NZ 3.87Å; D390-K393 PolarHBondContact OD2-NZ 2.89Å; D390-L394 WeakPolarHBondContact O-CB 3.37Å; D390-L394 PolarHBondContact O-N 3.25Å
391R74.7Confident59.5Low190 Ų19096.4 Ų96.472%0.71747%0.474SS*.Hα-helixtrans-59.1-31.7-178-63.1-177-177.6-172.6-0.6112.4I389 L395I389-R391 VanDerWaalsContact C-N 3.27Å; I389-R391 HydrophobicContact CG2-CG 4.23Å; I389-R391 PolarHBondContact O-N 3.44Å; R391-L395 WeakPolarHBondContact O-CB 3.49Å; R391-L395 VanDerWaalsContact O-CG 3.25Å; R391-L395 WeakPolarHBondContact O-CG 3.32Å; R391-L395 PolarHBondContact O-N 3.27Å
392N72.7Confident60.4Low129 Ų12997.2 Ų97.269%0.6949%0.488SS*.Hα-helixtrans-73.3-48-176.7-69-22.6000110.9D390 L394 L395 E396D390-N392 PolarHBondContact O-N 2.99Å; D390-N392 PolarHBondContact OD1-N 3.45Å; N392-L394 VanDerWaalsContact C-N 3.33Å; N392-L394 PolarHBondContact O-N 2.87Å; N392-L395 PolarHBondContact O-N 3.34Å; N392-E396 PolarHBondContact O-N 2.92Å
393K72Confident60.8Low90 Ų90104.4 Ų104.439%0.39151%0.511SS..Hα-helixtrans-66.2-34.7173.6-70.4-165.2-162.798.20112.4L24 D390 E396 C397L24-K393 HydrophobicContact CD1-CB 3.76Å; L24-K393 HydrophobicContact CD1-CD 3.61Å; L24-K393 HydrophobicContact CD1-CG 4.28Å; L24-K393 HydrophobicContact CD2-CB 4.26Å; D390-K393 HydrophobicContact CB-CB 4.41Å; D390-K393 PolarHBondContact O-N 2.95Å; D390-K393 PolarHBondContact OD1-N 3.41Å; D390-K393 WeakPolarHBondContact OD2-CD 3.38Å; D390-K393 WeakPolarHBondContact OD2-CE 3.46Å; D390-K393 WeakPolarHBondContact OD2-CG 3.39Å; D390-K393 IonicContact OD2-NZ 3.87Å; D390-K393 PolarHBondContact OD2-NZ 2.89Å; K393-E396 PolarHBondContact O-N 3.23Å; K393-C397 PolarHBondContact O-N 3.04Å; K393-C397 PolarHBondContact O-SG 3.29Å
394L71Confident61.9Low50 Ų50103 Ų10326%0.26251%0.51SS..Hα-helixtrans-61.2-45174.6-178.464.5000111.6T20 I389 D390 N392 C397 L398T20-L394 HydrophobicContact CG2-CD1 3.53Å; I389-L394 HydrophobicContact CG2-CD2 4.1Å; D390-L394 WeakPolarHBondContact O-CB 3.37Å; D390-L394 PolarHBondContact O-N 3.25Å; N392-L394 VanDerWaalsContact C-N 3.33Å; N392-L394 PolarHBondContact O-N 2.87Å; L394-C397 PolarHBondContact O-N 3.31Å; L394-L398 HydrophobicContact CD1-CD1 4.44Å; L394-L398 HydrophobicContact CG-CD1 4.15Å; L394-L398 WeakPolarHBondContact O-CG 3.35Å; L394-L398 PolarHBondContact O-N 2.71Å
395L72.5Confident63.2Low102 Ų102101.9 Ų101.953%0.53451%0.513SS..Hα-helixtrans-63.8-43.2175.1-74168.6000111.9R391 N392 C397 L398 C399R391-L395 WeakPolarHBondContact O-CB 3.49Å; R391-L395 VanDerWaalsContact O-CG 3.25Å; R391-L395 WeakPolarHBondContact O-CG 3.32Å; R391-L395 PolarHBondContact O-N 3.27Å; N392-L395 PolarHBondContact O-N 3.34Å; L395-C397 VanDerWaalsContact C-N 3.3Å; L395-C397 PolarHBondContact O-N 3.39Å; L395-L398 PolarHBondContact O-N 3Å; L395-C399 WeakPolarHBondContact O-CB 3.25Å; L395-C399 PolarHBondContact O-N 3.35Å; L395-C399 PolarHBondContact O-SG 3Å; L395-C399 VanDerWaalsContact O-SG 3.33Å
396E73.8Confident64.5Low123 Ų12397.4 Ų97.458%0.57550%0.497SS*.Hα-helixtrans-57.3-43.7174.9-174.3179.3-17400111.7N392 K393 N400N392-E396 PolarHBondContact O-N 2.92Å; K393-E396 PolarHBondContact O-N 3.23Å; E396-N400 WeakPolarHBondContact O-CB 3.46Å; E396-N400 VanDerWaalsContact O-CG 3.31Å; E396-N400 PolarHBondContact O-N 3.49Å; E396-N400 PolarHBondContact O-ND2 2.87Å
397C69Low65.5Low17 Ų1796.7 Ų96.712%0.11549%0.493CS..Hα-helixtrans-64-46.3176.6-66.20000112.3L16 F78 K393 L394 L395 N400 S401L16-C397 HydrophobicContact CD1-CB 3.67Å; F78-C397 HydrophobicContact CE1-CB 4.33Å; K393-C397 PolarHBondContact O-N 3.04Å; K393-C397 PolarHBondContact O-SG 3.29Å; L394-C397 PolarHBondContact O-N 3.31Å; L395-C397 VanDerWaalsContact C-N 3.3Å; L395-C397 PolarHBondContact O-N 3.39Å; C397-N400 PolarHBondContact O-N 3Å; C397-S401 PolarHBondContact O-N 3.33Å; C397-S401 PolarHBondContact O-OG 3.36Å
398L71Confident66.9Low81 Ų8198.9 Ų98.942%0.42451%0.507SS..Hα-helixtrans-62.9-42.7178.6-72167.6000111.9L16 L394 L395 N400 S401 A402L16-L398 HydrophobicContact CD2-CD2 3.79Å; L394-L398 HydrophobicContact CD1-CD1 4.44Å; L394-L398 HydrophobicContact CG-CD1 4.15Å; L394-L398 WeakPolarHBondContact O-CG 3.35Å; L394-L398 PolarHBondContact O-N 2.71Å; L395-L398 PolarHBondContact O-N 3Å; L398-N400 VanDerWaalsContact C-N 3.29Å; L398-N400 PolarHBondContact O-N 3.23Å; L398-S401 WeakPolarHBondContact CA-OG 3.37Å; L398-S401 PolarHBondContact O-N 3.01Å; L398-S401 PolarHBondContact O-OG 3.05Å; L398-A402 PolarHBondContact O-N 3.36Å
399C73.7Confident67.6Low78 Ų7895.5 Ų95.553%0.52749%0.494SS..Hα-helixtrans-67.7-26176.6-70.80000113.6L395L395-C399 WeakPolarHBondContact O-CB 3.25Å; L395-C399 PolarHBondContact O-N 3.35Å; L395-C399 PolarHBondContact O-SG 3Å; L395-C399 VanDerWaalsContact O-SG 3.33Å
400N66.3Low67.6Low83 Ų8396.3 Ų96.344%0.44450%0.498SS..Hα-helixtrans-87.6-23.6175.1-72.7-27.9000113.1E396 C397 L398 A402E396-N400 WeakPolarHBondContact O-CB 3.46Å; E396-N400 VanDerWaalsContact O-CG 3.31Å; E396-N400 PolarHBondContact O-N 3.49Å; E396-N400 PolarHBondContact O-ND2 2.87Å; C397-N400 PolarHBondContact O-N 3Å; L398-N400 VanDerWaalsContact C-N 3.29Å; L398-N400 PolarHBondContact O-N 3.23Å; N400-A402 VanDerWaalsContact C-N 3.31Å
401S53.7Low67.1Low52 Ų52100.1 Ų100.136%0.36452%0.517SS..Hα-helixtrans-78.1-12.4170.7600000114.6C397 L398 K403C397-S401 PolarHBondContact O-N 3.33Å; C397-S401 PolarHBondContact O-OG 3.36Å; L398-S401 WeakPolarHBondContact CA-OG 3.37Å; L398-S401 PolarHBondContact O-N 3.01Å; L398-S401 PolarHBondContact O-OG 3.05Å; S401-K403 VanDerWaalsContact C-N 3.34Å
402A53.4Low66.4Low89 Ų8992.6 Ų92.674%0.73650%0.5SS*.THydrogen-bonded Turntrans-928.1177.900000113.6L398 N400L398-A402 PolarHBondContact O-N 3.36Å; N400-A402 VanDerWaalsContact C-N 3.31Å
403K47.9Very low65.8Low217 Ų21789.3 Ų89.394%0.94348%0.483SS*.  trans-117.70176.8-65.1174.1-172.9160.50109.7S401S401-K403 VanDerWaalsContact C-N 3.34Å

Retrieved 403 of 403 residues in 742.7 ms (Link to these results)

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