Y701_STAAN Loading...

Uncharacterized membrane protein SA0701

AlphaFold DB (Q2G061), UniProt , Accession Q99VM8, Species STAAN (Staphylococcus aureus (strain N315)), Gene n/a, Length 356 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
1M84.2Confident89.9Confident103 Ų10364.6 Ų64.651%0.50732%0.315SS..  0-64.40-168.2-171.8-68.600112.6E3 A4 F5 I53 Y55M1-E3 PolarHBondContact O-N 2.86Å; M1-A4 PolarHBondContact O-N 2.9Å; M1-A4 VanDerWaalsContact O-N 3.17Å; M1-F5 PolarHBondContact O-N 3.27Å; M1-I53 HydrophobicContact CB-CG2 4.35Å; M1-I53 HydrophobicContact CG-CG2 3.51Å; M1-Y55 HydrophobicContact CE-CD2 3.59Å; M1-Y55 HydrophobicContact CE-CE2 4.36Å
2F85.8Confident89.9Confident154 Ų15459.5 Ų59.568%0.67529%0.29SS*.Hα-helixtrans-59.2-42.4-174.1-174.8-109.6000114A4 F5 I6F2-A4 PolarHBondContact O-N 3.41Å; F2-F5 WeakPolarHBondContact O-CB 3.46Å; F2-F5 PolarHBondContact O-N 2.84Å; F2-I6 HydrophobicContact CD1-CD1 3.73Å; F2-I6 HydrophobicContact CE1-CD1 3.24Å; F2-I6 HydrophobicContact CE1-CG1 4.25Å; F2-I6 HydrophobicContact CE2-CD1 4.32Å; F2-I6 HydrophobicContact CG-CD1 4.47Å; F2-I6 HydrophobicContact CZ-CD1 3.58Å; F2-I6 HydrophobicContact CZ-CG1 4.26Å; F2-I6 PolarHBondContact O-N 3.38Å
3E89.2Confident90Very high136 Ų13658.6 Ų58.664%0.63629%0.29SS*.Hα-helixtrans-59.8-45.4175.1-173.6-178.1-176.100112.3M1 F5 I6 Y7 Y51M1-E3 PolarHBondContact O-N 2.86Å; E3-F5 VanDerWaalsContact C-N 3.31Å; E3-F5 PolarHBondContact O-N 3.29Å; E3-I6 PolarHBondContact O-N 3.38Å; E3-Y7 WeakPolarHBondContact O-CB 3.19Å; E3-Y7 PolarHBondContact O-N 2.77Å; E3-Y51 HydrophobicContact CG-CE1 4.4Å
4A89.9Confident90.1Very high1 Ų158.3 Ų58.31%0.00830%0.302CS..Hα-helixtrans-64.1-37.3176.300000112.1M1 F2 Y7 N8 Y51 I53M1-A4 PolarHBondContact O-N 2.9Å; M1-A4 VanDerWaalsContact O-N 3.17Å; F2-A4 PolarHBondContact O-N 3.41Å; A4-Y7 PolarHBondContact O-N 2.67Å; A4-N8 PolarHBondContact O-N 3.16Å; A4-N8 PolarHBondContact O-ND2 3.39Å; A4-Y51 VanDerWaalsContact CA-CE1 3.43Å; A4-Y51 HydrophobicContact CB-CD1 3.71Å; A4-Y51 HydrophobicContact CB-CE1 3.59Å; A4-I53 HydrophobicContact CB-CB 4.26Å; A4-I53 HydrophobicContact CB-CG1 3.89Å
5F88.1Confident90Very high40 Ų4055.1 Ų55.118%0.17529%0.288CS..Hα-helixtrans-62.4-47174.6178.1-107.5000112.2M1 F2 E3 N8 I9 I53 I159 I162 I163M1-F5 PolarHBondContact O-N 3.27Å; F2-F5 WeakPolarHBondContact O-CB 3.46Å; F2-F5 PolarHBondContact O-N 2.84Å; E3-F5 VanDerWaalsContact C-N 3.31Å; E3-F5 PolarHBondContact O-N 3.29Å; F5-N8 PolarHBondContact O-N 3.3Å; F5-I9 HydrophobicContact CD1-CD1 4.01Å; F5-I9 HydrophobicContact CD2-CD1 4.43Å; F5-I9 HydrophobicContact CE1-CD1 3.39Å; F5-I9 HydrophobicContact CE2-CD1 3.88Å; F5-I9 HydrophobicContact CE2-CG1 4.47Å; F5-I9 HydrophobicContact CZ-CD1 3.34Å; F5-I9 HydrophobicContact CZ-CG1 4.37Å; F5-I9 PolarHBondContact O-N 2.99Å; F5-I9 VanDerWaalsContact O-N 3.08Å; F5-I53 HydrophobicContact CB-CD1 4.12Å; F5-I53 HydrophobicContact CD2-CD1 4.08Å; F5-I159 HydrophobicContact CD2-CG2 3.84Å; F5-I159 HydrophobicContact CE2-CB 4.43Å; F5-I159 HydrophobicContact CE2-CG2 3.9Å; F5-I162 HydrophobicContact CZ-CB 4.3Å; F5-I162 HydrophobicContact CZ-CD1 4.43Å; F5-I162 HydrophobicContact CZ-CG2 3.82Å; F5-I163 HydrophobicContact CD2-CD1 3.94Å; F5-I163 HydrophobicContact CD2-CG1 4.42Å; F5-I163 HydrophobicContact CE2-CD1 3.82Å; F5-I163 HydrophobicContact CE2-CG1 3.83Å
6I90.4Very high89.9Confident78 Ų7851.6 Ų51.640%0.427%0.27SS..Hα-helixtrans-59.9-47.9175.2-70.3172.8000110.1F2 E3 N8 I9 S10F2-I6 HydrophobicContact CD1-CD1 3.73Å; F2-I6 HydrophobicContact CE1-CD1 3.24Å; F2-I6 HydrophobicContact CE1-CG1 4.25Å; F2-I6 HydrophobicContact CE2-CD1 4.32Å; F2-I6 HydrophobicContact CG-CD1 4.47Å; F2-I6 HydrophobicContact CZ-CD1 3.58Å; F2-I6 HydrophobicContact CZ-CG1 4.26Å; F2-I6 PolarHBondContact O-N 3.38Å; E3-I6 PolarHBondContact O-N 3.38Å; I6-N8 VanDerWaalsContact C-N 3.33Å; I6-N8 PolarHBondContact O-N 3.4Å; I6-I9 PolarHBondContact O-N 2.65Å; I6-S10 WeakPolarHBondContact O-CB 3.47Å; I6-S10 PolarHBondContact O-N 3.32Å; I6-S10 PolarHBondContact O-OG 3.47Å; I6-S10 VanDerWaalsContact O-OG 3.04Å
7Y92.3Very high89.6Confident74 Ų7455.7 Ų55.729%0.2928%0.282SS..Hα-helixtrans-53.3-50.1177.6175.6-89.5000111.6E3 A4 I9 S10 V11 Y51E3-Y7 WeakPolarHBondContact O-CB 3.19Å; E3-Y7 PolarHBondContact O-N 2.77Å; A4-Y7 PolarHBondContact O-N 2.67Å; Y7-I9 PolarHBondContact O-N 3.31Å; Y7-S10 PolarHBondContact O-N 2.65Å; Y7-V11 HydrophobicContact CD1-CG2 4Å; Y7-V11 HydrophobicContact CD2-CG2 4.25Å; Y7-V11 HydrophobicContact CE1-CG2 3.6Å; Y7-V11 HydrophobicContact CE2-CG2 3.88Å; Y7-V11 HydrophobicContact CG-CG2 4.31Å; Y7-V11 WeakPolarHBondContact O-CB 3.36Å; Y7-V11 VanDerWaalsContact O-CG2 3.32Å; Y7-V11 WeakPolarHBondContact O-CG2 3.2Å; Y7-V11 PolarHBondContact O-N 3.07Å; Y7-Y51 AromaticContact CD1-CD1 3.92Å; Y7-Y51 HydrophobicContact CD1-CD1 3.92Å; Y7-Y51 HydrophobicContact CD1-CG 4.21Å; Y7-Y51 HydrophobicContact CD2-CD1 4.41Å; Y7-Y51 VanDerWaalsContact CE1-CB 3.49Å; Y7-Y51 AromaticContact CG-CD1 3.79Å; Y7-Y51 HydrophobicContact CG-CD1 3.79Å; Y7-Y51 HydrophobicContact CG-CG 4.42Å
8N92Very high89.2Confident0 Ų057.9 Ų57.90%030%0.295CS..Hα-helixtrans-62.9-43.4-178.2-81.6-84.4000112.1A4 F5 I6 I12 L48 Y51 L63 I163A4-N8 PolarHBondContact O-N 3.16Å; A4-N8 PolarHBondContact O-ND2 3.39Å; F5-N8 PolarHBondContact O-N 3.3Å; I6-N8 VanDerWaalsContact C-N 3.33Å; I6-N8 PolarHBondContact O-N 3.4Å; N8-I12 WeakPolarHBondContact O-CG1 3.25Å; N8-I12 PolarHBondContact O-N 2.93Å; N8-I12 VanDerWaalsContact O-N 3.14Å; N8-L48 HydrophobicContact CB-CD2 3.85Å; N8-L48 WeakPolarHBondContact O-CD2 3.18Å; N8-L48 WeakPolarHBondContact OD1-CB 3.23Å; N8-L48 WeakPolarHBondContact OD1-CD2 3.37Å; N8-Y51 PolarHBondContact ND2-O 3.03Å; N8-L63 HydrophobicContact CB-CD1 4.06Å; N8-I163 HydrophobicContact CB-CD1 4.18Å
9I91.5Very high88.3Confident41 Ų4156.9 Ų56.921%0.2129%0.288CS..Hα-helixtrans-60.8-49.2174.1-72174.3000110.5F5 I6 Y7 V11 I12 V13 I162 I163F5-I9 HydrophobicContact CD1-CD1 4.01Å; F5-I9 HydrophobicContact CD2-CD1 4.43Å; F5-I9 HydrophobicContact CE1-CD1 3.39Å; F5-I9 HydrophobicContact CE2-CD1 3.88Å; F5-I9 HydrophobicContact CE2-CG1 4.47Å; F5-I9 HydrophobicContact CZ-CD1 3.34Å; F5-I9 HydrophobicContact CZ-CG1 4.37Å; F5-I9 PolarHBondContact O-N 2.99Å; F5-I9 VanDerWaalsContact O-N 3.08Å; I6-I9 PolarHBondContact O-N 2.65Å; Y7-I9 PolarHBondContact O-N 3.31Å; I9-V11 PolarHBondContact O-N 2.87Å; I9-I12 PolarHBondContact O-N 3.14Å; I9-V13 HydrophobicContact CG2-CG2 4.19Å; I9-V13 WeakPolarHBondContact O-CB 3.39Å; I9-V13 WeakPolarHBondContact O-CG2 3.33Å; I9-V13 PolarHBondContact O-N 3.48Å; I9-I162 HydrophobicContact CD1-CG2 4.41Å; I9-I163 HydrophobicContact CD1-CG1 4.22Å; I9-I163 HydrophobicContact CG1-CD1 4.21Å; I9-I163 HydrophobicContact CG1-CG1 3.64Å
10S92.1Very high87.5Confident62 Ų6254.2 Ų54.243%0.43427%0.274SS..Hα-helixtrans-60.8-43.9-178.1-65.70000111.7I6 Y7 A14I6-S10 WeakPolarHBondContact O-CB 3.47Å; I6-S10 PolarHBondContact O-N 3.32Å; I6-S10 PolarHBondContact O-OG 3.47Å; I6-S10 VanDerWaalsContact O-OG 3.04Å; Y7-S10 PolarHBondContact O-N 2.65Å; S10-A14 WeakPolarHBondContact O-CA 3.3Å; S10-A14 WeakPolarHBondContact O-CB 3.19Å; S10-A14 PolarHBondContact O-N 3.02Å
11V93.1Very high87Confident22 Ų2258.9 Ų58.913%0.13329%0.288CS..Hα-helixtrans-62.2-44.1178.2165.70000111.4Y7 I9 G15 L47 L48Y7-V11 HydrophobicContact CD1-CG2 4Å; Y7-V11 HydrophobicContact CD2-CG2 4.25Å; Y7-V11 HydrophobicContact CE1-CG2 3.6Å; Y7-V11 HydrophobicContact CE2-CG2 3.88Å; Y7-V11 HydrophobicContact CG-CG2 4.31Å; Y7-V11 WeakPolarHBondContact O-CB 3.36Å; Y7-V11 VanDerWaalsContact O-CG2 3.32Å; Y7-V11 WeakPolarHBondContact O-CG2 3.2Å; Y7-V11 PolarHBondContact O-N 3.07Å; I9-V11 PolarHBondContact O-N 2.87Å; V11-G15 VanDerWaalsContact O-CA 3.32Å; V11-G15 WeakPolarHBondContact O-CA 3.44Å; V11-G15 PolarHBondContact O-N 3.42Å; V11-L47 HydrophobicContact CG1-CB 3.52Å; V11-L47 HydrophobicContact CG1-CD1 4.21Å; V11-L48 HydrophobicContact CB-CD2 4.01Å; V11-L48 HydrophobicContact CG1-CD2 3.85Å; V11-L48 HydrophobicContact CG1-CG 4.45Å
12I90.5Very high86.4Confident3 Ų358.2 Ų58.22%0.01529%0.287CS..Hα-helixtrans-68.1-50.2179.6-62.5174.1000110.8N8 I9 G15 I16 V44 L48 V66 I163N8-I12 WeakPolarHBondContact O-CG1 3.25Å; N8-I12 PolarHBondContact O-N 2.93Å; N8-I12 VanDerWaalsContact O-N 3.14Å; I9-I12 PolarHBondContact O-N 3.14Å; I12-G15 PolarHBondContact O-N 2.63Å; I12-I16 HydrophobicContact CG2-CD1 3.59Å; I12-I16 HydrophobicContact CG2-CG1 4.27Å; I12-I16 WeakPolarHBondContact O-CB 3.33Å; I12-I16 WeakPolarHBondContact O-CG1 2.72Å; I12-I16 PolarHBondContact O-N 3.28Å; I12-V44 HydrophobicContact CB-CG1 4.17Å; I12-V44 HydrophobicContact CG1-CG1 3.71Å; I12-V44 HydrophobicContact CG2-CG1 4.3Å; I12-L48 HydrophobicContact CD1-CD1 3.5Å; I12-L48 VanDerWaalsContact CD1-CD1 3.5Å; I12-L48 HydrophobicContact CD1-CD2 4.07Å; I12-L48 HydrophobicContact CD1-CG 4.37Å; I12-L48 HydrophobicContact CG1-CD1 3.64Å; I12-L48 HydrophobicContact CG1-CD2 3.67Å; I12-L48 HydrophobicContact CG1-CG 4.08Å; I12-V66 HydrophobicContact CD1-CG1 4.43Å; I12-I163 HydrophobicContact CD1-CG2 3.3Å
13V90.9Very high85.6Confident48 Ų4851.8 Ų51.829%0.29126%0.258SS..Hα-helixtrans-62.1-47.9-178.3172.10000110.6I9 Y17 T170I9-V13 HydrophobicContact CG2-CG2 4.19Å; I9-V13 WeakPolarHBondContact O-CB 3.39Å; I9-V13 WeakPolarHBondContact O-CG2 3.33Å; I9-V13 PolarHBondContact O-N 3.48Å; V13-Y17 WeakPolarHBondContact O-CB 3.47Å; V13-Y17 PolarHBondContact O-N 2.83Å; V13-T170 HydrophobicContact CG1-CG2 4.11Å
14A91Very high84.5Confident54 Ų5449.3 Ų49.345%0.44624%0.244SC..Hα-helixtrans-67.5-39178.100000111.9S10 Y17 L18S10-A14 WeakPolarHBondContact O-CA 3.3Å; S10-A14 WeakPolarHBondContact O-CB 3.19Å; S10-A14 PolarHBondContact O-N 3.02Å; A14-Y17 PolarHBondContact O-N 2.82Å; A14-L18 WeakPolarHBondContact O-CB 3.21Å; A14-L18 PolarHBondContact O-N 3.39Å
15G88.9Confident83.3Confident10 Ų1053.9 Ų53.910%0.10328%0.276CS..Hα-helixtrans-60.1-51.1176.500000111.4V11 I12 Y17 F19V11-G15 VanDerWaalsContact O-CA 3.32Å; V11-G15 WeakPolarHBondContact O-CA 3.44Å; V11-G15 PolarHBondContact O-N 3.42Å; I12-G15 PolarHBondContact O-N 2.63Å; G15-Y17 PolarHBondContact O-N 2.88Å; G15-F19 WeakPolarHBondContact O-CB 3.12Å; G15-F19 WeakPolarHBondContact O-CD2 3.24Å; G15-F19 PolarHBondContact O-N 2.86Å
16I88Confident81.7Confident0 Ų059.6 Ų59.60%030%0.303CS..Hα-helixtrans-58.2-50.9175.8-65.3168.1000110I12 H20 M41 T170 F171 I174I12-I16 HydrophobicContact CG2-CD1 3.59Å; I12-I16 HydrophobicContact CG2-CG1 4.27Å; I12-I16 WeakPolarHBondContact O-CB 3.33Å; I12-I16 WeakPolarHBondContact O-CG1 2.72Å; I12-I16 PolarHBondContact O-N 3.28Å; I16-H20 PolarHBondContact O-CD2 2.78Å; I16-H20 PolarHBondContact O-N 3.42Å; I16-H20 VanDerWaalsContact O-N 3.1Å; I16-M41 HydrophobicContact CD1-CE 4.39Å; I16-M41 HydrophobicContact CG1-CE 4.04Å; I16-T170 HydrophobicContact CB-CG2 4.42Å; I16-T170 HydrophobicContact CG2-CG2 4.21Å; I16-F171 HydrophobicContact CD1-CB 4.38Å; I16-F171 HydrophobicContact CG2-CB 4.4Å; I16-F171 HydrophobicContact CG2-CD2 4.07Å; I16-I174 HydrophobicContact CG2-CD1 3.75Å
17Y85.9Confident79.9Confident121 Ų12161.1 Ų61.148%0.47531%0.312SS..Hα-helixtrans-62.1-50.7-178.9174.9-96.1000113.5V13 A14 G15 F19 H20 R21 I174V13-Y17 WeakPolarHBondContact O-CB 3.47Å; V13-Y17 PolarHBondContact O-N 2.83Å; A14-Y17 PolarHBondContact O-N 2.82Å; G15-Y17 PolarHBondContact O-N 2.88Å; Y17-F19 PolarHBondContact O-N 2.97Å; Y17-H20 PolarHBondContact O-N 3.17Å; Y17-R21 PolarHBondContact O-N 3.41Å; Y17-R21 PolarHBondContact OH-NH1 2.9Å; Y17-I174 HydrophobicContact CD2-CD1 4.47Å
18L81Confident78.4Confident96 Ų9664.9 Ų64.950%0.50333%0.33SS..Hα-helixtrans-63.3-44.1-175.3-177.668000110.6A14 H20 R21 L22A14-L18 WeakPolarHBondContact O-CB 3.21Å; A14-L18 PolarHBondContact O-N 3.39Å; L18-H20 VanDerWaalsContact C-N 3.34Å; L18-H20 PolarHBondContact O-N 3.06Å; L18-R21 PolarHBondContact O-N 3.23Å; L18-L22 HydrophobicContact CG-CD1 4.35Å; L18-L22 WeakPolarHBondContact O-CG 3.47Å; L18-L22 PolarHBondContact O-N 3.5Å
19F72.4Confident76.7Confident39 Ų3973.1 Ų73.117%0.17136%0.361CS..Hα-helixtrans-64.3-41.1177.2-93.3-96.2000111.5G15 Y17 R21 L22 Q23 Y36 L40 I43G15-F19 WeakPolarHBondContact O-CB 3.12Å; G15-F19 WeakPolarHBondContact O-CD2 3.24Å; G15-F19 PolarHBondContact O-N 2.86Å; Y17-F19 PolarHBondContact O-N 2.97Å; F19-R21 VanDerWaalsContact C-N 3.32Å; F19-R21 PolarHBondContact O-N 3.24Å; F19-L22 PolarHBondContact O-N 2.68Å; F19-Q23 PolarHBondContact O-N 2.88Å; F19-Y36 AromaticContact CD1-CZ 3.97Å; F19-Y36 PolarHBondContact O-OH 3.24Å; F19-L40 HydrophobicContact CB-CB 4.46Å; F19-L40 HydrophobicContact CB-CD1 3.46Å; F19-L40 VanDerWaalsContact CB-CD1 3.46Å; F19-L40 HydrophobicContact CB-CD2 3.8Å; F19-L40 HydrophobicContact CB-CG 4.08Å; F19-L40 HydrophobicContact CD1-CB 4.1Å; F19-L40 HydrophobicContact CD1-CD1 4.05Å; F19-L40 HydrophobicContact CD2-CD1 3.39Å; F19-L40 HydrophobicContact CE2-CD1 4.09Å; F19-L40 HydrophobicContact CG-CB 4.24Å; F19-L40 HydrophobicContact CG-CD1 3.35Å; F19-L40 HydrophobicContact CG-CD2 4.42Å; F19-L40 HydrophobicContact CG-CG 4.18Å; F19-I43 HydrophobicContact CE1-CD1 4.15Å; F19-I43 HydrophobicContact CE2-CD1 4.44Å; F19-I43 HydrophobicContact CE2-CG2 4.16Å; F19-I43 HydrophobicContact CZ-CB 4.41Å; F19-I43 HydrophobicContact CZ-CD1 3.52Å; F19-I43 HydrophobicContact CZ-CG2 4.26Å
20H73.4Confident75.1Confident1 Ų171.9 Ų71.91%0.00536%0.355CS..Hα-helixtrans-60.2-45.1172.9-79.6-55000111.5I16 Y17 L18 L22 Q23 Y24 M30 F32 I174 F178I16-H20 PolarHBondContact O-CD2 2.78Å; I16-H20 PolarHBondContact O-N 3.42Å; I16-H20 VanDerWaalsContact O-N 3.1Å; Y17-H20 PolarHBondContact O-N 3.17Å; L18-H20 VanDerWaalsContact C-N 3.34Å; L18-H20 PolarHBondContact O-N 3.06Å; H20-L22 VanDerWaalsContact C-N 3.35Å; H20-L22 PolarHBondContact O-N 2.89Å; H20-Q23 PolarHBondContact O-N 3.23Å; H20-Y24 PolarHBondContact O-N 3.35Å; H20-M30 HydrophobicContact CB-CE 4.21Å; H20-M30 WeakPolarHBondContact O-CE 3.32Å; H20-F32 AromaticContact CE1-CD1 3.95Å; H20-F32 AromaticContact CE1-CE1 2.99Å; H20-F32 WeakPolarHBondContact CE1-CE1 3.09Å; H20-F32 AromaticContact CE1-CZ 3.1Å; H20-F32 WeakPolarHBondContact CE1-CZ 3.23Å; H20-F32 AromaticContact ND1-CE1 3.88Å; H20-F32 AromaticContact ND1-CZ 3.57Å; H20-F32 AromaticContact NE2-CE1 3.68Å; H20-F32 AromaticContact NE2-CZ 3.83Å; H20-I174 HydrophobicContact CB-CG2 3.82Å; H20-I174 WeakPolarHBondContact CD2-CG2 3.4Å; H20-I174 VanDerWaalsContact CG-CG2 3.45Å; H20-F178 HydrophobicContact CB-CE2 3.73Å; H20-F178 HydrophobicContact CB-CZ 4.4Å
21R76.7Confident73.8Confident153 Ų15373.9 Ų73.958%0.57736%0.364SS*.Hα-helixtrans-60.4-39.5178.8-171.9170.4178.8173.4-4.3113.7Y17 L18 F19 Q23 Y24 S25Y17-R21 PolarHBondContact O-N 3.41Å; Y17-R21 PolarHBondContact OH-NH1 2.9Å; L18-R21 PolarHBondContact O-N 3.23Å; F19-R21 VanDerWaalsContact C-N 3.32Å; F19-R21 PolarHBondContact O-N 3.24Å; R21-Q23 PolarHBondContact O-N 3.18Å; R21-Y24 PolarHBondContact O-N 2.95Å; R21-S25 PolarHBondContact O-N 3.25Å
22L71.6Confident72.7Confident90 Ų9075 Ų7547%0.47137%0.367SS..Hα-helixtrans-60.4-44.5177.5-75.4170.1000111.6L18 F19 H20 Y24 S25 E26L18-L22 HydrophobicContact CG-CD1 4.35Å; L18-L22 WeakPolarHBondContact O-CG 3.47Å; L18-L22 PolarHBondContact O-N 3.5Å; F19-L22 PolarHBondContact O-N 2.68Å; H20-L22 VanDerWaalsContact C-N 3.35Å; H20-L22 PolarHBondContact O-N 2.89Å; L22-Y24 VanDerWaalsContact C-N 3.3Å; L22-Y24 PolarHBondContact O-N 3.37Å; L22-S25 PolarHBondContact O-N 2.82Å; L22-E26 PolarHBondContact O-N 3.41Å
23Q68.1Low72.3Confident18 Ų1877.2 Ų77.28%0.08438%0.383CS..Hα-helixtrans-62.1-38.3178.7-165.4-177.96.600112.8F19 H20 R21 S25 M30 V31 Y36F19-Q23 PolarHBondContact O-N 2.88Å; H20-Q23 PolarHBondContact O-N 3.23Å; R21-Q23 PolarHBondContact O-N 3.18Å; Q23-S25 VanDerWaalsContact C-N 3.35Å; Q23-M30 HydrophobicContact CB-CE 4.43Å; Q23-M30 HydrophobicContact CB-CG 4.07Å; Q23-M30 HydrophobicContact CB-SD 4.29Å; Q23-M30 HydrophobicContact CG-CG 3.86Å; Q23-V31 VanDerWaalsContact NE2-N 3.13Å; Q23-V31 PolarHBondContact NE2-O 2.85Å; Q23-Y36 HydrophobicContact CB-CE1 4.34Å
24Y67.2Low72.2Confident84 Ų8479.8 Ų79.833%0.32939%0.39SS..Hα-helixtrans-65-40.5177.7-168-105.6000111.9H20 R21 L22 E26 K28 M30 F178 E185H20-Y24 PolarHBondContact O-N 3.35Å; R21-Y24 PolarHBondContact O-N 2.95Å; L22-Y24 VanDerWaalsContact C-N 3.3Å; L22-Y24 PolarHBondContact O-N 3.37Å; Y24-E26 PolarHBondContact O-N 2.92Å; Y24-K28 WeakPolarHBondContact O-CA 3.33Å; Y24-K28 PolarHBondContact O-N 2.84Å; Y24-K28 VanDerWaalsContact O-N 3.13Å; Y24-M30 HydrophobicContact CD2-CE 4.28Å; Y24-M30 HydrophobicContact CG-CE 4.36Å; Y24-F178 HydrophobicContact CD2-CE1 4.18Å; Y24-E185 PolarHBondContact OH-OE1 3.44Å
25S63.2Low72.1Confident97 Ų9779.3 Ų79.368%0.67839%0.386SS*.Hα-helixtrans-65-37.3-174.2-167.90000113R21 L22 Q23R21-S25 PolarHBondContact O-N 3.25Å; L22-S25 PolarHBondContact O-N 2.82Å; Q23-S25 VanDerWaalsContact C-N 3.35Å
26E54.9Low71.9Confident161 Ų16181.2 Ų81.275%0.75239%0.391SS*.Hα-helixtrans-79.5-48.2-174.7-71.7-173.816200112.8L22 Y24L22-E26 PolarHBondContact O-N 3.41Å; Y24-E26 PolarHBondContact O-N 2.92Å
27N53.6Low72Confident109 Ų10981.5 Ų81.558%0.58339%0.393SS*.Hα-helixtrans-106.1-8.6-167.3-71.8-42.7000114.2R29N27-R29 HydrophobicContact CB-CB 4.46Å; N27-R29 WeakPolarHBondContact CB-O 3.38Å; N27-R29 PolarHBondContact O-N 3.22Å
28K60.3Low72.3Confident154 Ų15476.3 Ų76.367%0.6737%0.373SS*.SBendtrans45.120.1-164.3-64.2-174.2178.2-179.60113.3Y24Y24-K28 WeakPolarHBondContact O-CA 3.33Å; Y24-K28 PolarHBondContact O-N 2.84Å; Y24-K28 VanDerWaalsContact O-N 3.13Å
29R55.4Low72.9Confident172 Ų17275.5 Ų75.565%0.64937%0.372SS*.SBendtrans-150.3111.7-176.1-71.7-170.5179.2-169.71.1105.8N27N27-R29 HydrophobicContact CB-CB 4.46Å; N27-R29 WeakPolarHBondContact CB-O 3.38Å; N27-R29 PolarHBondContact O-N 3.22Å
30M59.5Low73.8Confident16 Ų1673.7 Ų73.78%0.07936%0.364CS..  trans-88.2126.3170.6-80.6-158-151.500110.2H20 Q23 Y24 F178H20-M30 HydrophobicContact CB-CE 4.21Å; H20-M30 WeakPolarHBondContact O-CE 3.32Å; Q23-M30 HydrophobicContact CB-CE 4.43Å; Q23-M30 HydrophobicContact CB-CG 4.07Å; Q23-M30 HydrophobicContact CB-SD 4.29Å; Q23-M30 HydrophobicContact CG-CG 3.86Å; Y24-M30 HydrophobicContact CD2-CE 4.28Å; Y24-M30 HydrophobicContact CG-CE 4.36Å; M30-F178 HydrophobicContact CE-CD1 3.7Å; M30-F178 HydrophobicContact CE-CD2 3.79Å; M30-F178 HydrophobicContact CE-CE1 3.34Å; M30-F178 HydrophobicContact CE-CE2 3.43Å; M30-F178 VanDerWaalsContact CE-CE2 3.43Å; M30-F178 HydrophobicContact CE-CG 3.94Å; M30-F178 HydrophobicContact CE-CZ 3.21Å; M30-F178 HydrophobicContact SD-CD1 4.25Å; M30-F178 HydrophobicContact SD-CD2 3.9Å; M30-F178 HydrophobicContact SD-CE1 4.43Å; M30-F178 HydrophobicContact SD-CE2 4.1Å; M30-F178 HydrophobicContact SD-CG 4.01Å; M30-F178 HydrophobicContact SD-CZ 4.37Å
31V64.1Low74.8Confident103 Ų10373.6 Ų73.662%0.62436%0.364SS*.  trans-113.4110.4164.3-174.10000106.4Q23 S33Q23-V31 VanDerWaalsContact NE2-N 3.13Å; Q23-V31 PolarHBondContact NE2-O 2.85Å; V31-S33 PolarHBondContact O-N 3.24Å
32F69.6Low75.7Confident46 Ų4667 Ų6720%0.20234%0.34CS..  trans-68.682.9171.8-89.2-93.3000109.6H20 V37 F171 W175H20-F32 AromaticContact CE1-CD1 3.95Å; H20-F32 AromaticContact CE1-CE1 2.99Å; H20-F32 WeakPolarHBondContact CE1-CE1 3.09Å; H20-F32 AromaticContact CE1-CZ 3.1Å; H20-F32 WeakPolarHBondContact CE1-CZ 3.23Å; H20-F32 AromaticContact ND1-CE1 3.88Å; H20-F32 AromaticContact ND1-CZ 3.57Å; H20-F32 AromaticContact NE2-CE1 3.68Å; H20-F32 AromaticContact NE2-CZ 3.83Å; F32-V37 HydrophobicContact CD1-CG2 4.06Å; F32-F171 HydrophobicContact CE1-CE2 4.42Å; F32-F171 HydrophobicContact CE1-CZ 4.18Å; F32-W175 HydrophobicContact CB-CE3 4.24Å; F32-W175 HydrophobicContact CB-CH2 3.38Å; F32-W175 HydrophobicContact CB-CZ3 3.22Å; F32-W175 AromaticContact CD1-CE3 3.34Å; F32-W175 HydrophobicContact CD1-CE3 3.34Å; F32-W175 HydrophobicContact CD1-CH2 4.09Å; F32-W175 AromaticContact CD1-CZ3 3.05Å; F32-W175 HydrophobicContact CD1-CZ3 3.05Å; F32-W175 HydrophobicContact CD2-CD2 4.19Å; F32-W175 AromaticContact CD2-CE3 3.55Å; F32-W175 HydrophobicContact CD2-CE3 3.55Å; F32-W175 AromaticContact CD2-CH2 3.77Å; F32-W175 HydrophobicContact CD2-CH2 3.77Å; F32-W175 HydrophobicContact CD2-CZ2 4.4Å; F32-W175 AromaticContact CD2-CZ3 3.37Å; F32-W175 HydrophobicContact CD2-CZ3 3.37Å; F32-W175 HydrophobicContact CE1-CD2 4.26Å; F32-W175 AromaticContact CE1-CE3 3.15Å; F32-W175 HydrophobicContact CE1-CE3 3.15Å; F32-W175 AromaticContact CE1-CZ3 3.46Å; F32-W175 HydrophobicContact CE1-CZ3 3.46Å; F32-W175 VanDerWaalsContact CE1-CZ3 3.46Å; F32-W175 AromaticContact CE2-CD2 3.93Å; F32-W175 HydrophobicContact CE2-CD2 3.93Å; F32-W175 AromaticContact CE2-CE3 3.46Å; F32-W175 HydrophobicContact CE2-CE3 3.46Å; F32-W175 VanDerWaalsContact CE2-CE3 3.46Å; F32-W175 HydrophobicContact CE2-CH2 4.47Å; F32-W175 AromaticContact CE2-CZ3 3.82Å; F32-W175 HydrophobicContact CE2-CZ3 3.82Å; F32-W175 AromaticContact CG-CE3 3.49Å; F32-W175 HydrophobicContact CG-CE3 3.49Å; F32-W175 VanDerWaalsContact CG-CE3 3.49Å; F32-W175 AromaticContact CG-CH2 3.54Å; F32-W175 HydrophobicContact CG-CH2 3.54Å; F32-W175 AromaticContact CG-CZ3 2.94Å; F32-W175 HydrophobicContact CG-CZ3 2.94Å; F32-W175 HydrophobicContact CZ-CB 4.27Å; F32-W175 AromaticContact CZ-CD2 3.95Å; F32-W175 HydrophobicContact CZ-CD2 3.95Å; F32-W175 AromaticContact CZ-CE3 3.24Å; F32-W175 HydrophobicContact CZ-CE3 3.24Å; F32-W175 HydrophobicContact CZ-CG 4.44Å; F32-W175 AromaticContact CZ-CZ3 3.85Å; F32-W175 HydrophobicContact CZ-CZ3 3.85Å
33S82.6Confident76.9Confident50 Ų5065.6 Ų65.635%0.3533%0.333SS..  trans-81.2143.6174.478.90000109.2V31 A35 Y36 V37V31-S33 PolarHBondContact O-N 3.24Å; S33-A35 PolarHBondContact O-N 3.1Å; S33-Y36 WeakPolarHBondContact O-CB 3.49Å; S33-Y36 PolarHBondContact O-N 2.95Å; S33-Y36 VanDerWaalsContact OG-CB 3.29Å; S33-Y36 WeakPolarHBondContact OG-CB 3.34Å; S33-Y36 PolarHBondContact OG-N 3.2Å; S33-Y36 VanDerWaalsContact OG-N 3.1Å; S33-V37 PolarHBondContact O-N 2.87Å
34K88.4Confident78.2Confident101 Ų10164.8 Ų64.844%0.43933%0.329SS..Hα-helixtrans-56.7-38.1176.2-63.8-177.6-180-172.70111.3Y36 V37 T38 T75 Y79K34-Y36 PolarHBondContact O-N 3.21Å; K34-V37 PolarHBondContact O-N 3.01Å; K34-T38 WeakPolarHBondContact O-CB 3.45Å; K34-T38 PolarHBondContact O-N 3.36Å; K34-T38 PolarHBondContact O-OG1 2.97Å; K34-T75 HydrophobicContact CB-CG2 4.22Å; K34-Y79 HydrophobicContact CB-CD2 3.91Å; K34-Y79 HydrophobicContact CB-CE2 3.71Å; K34-Y79 HydrophobicContact CB-CG 4.5Å; K34-Y79 HydrophobicContact CD-CD2 4.36Å; K34-Y79 HydrophobicContact CD-CE2 4.18Å
35A88.7Confident79.5Confident45 Ų4560.8 Ų60.837%0.37231%0.313SS..Hα-helixtrans-59.6-44.4175.700000112S33 T38 V39 Y79S33-A35 PolarHBondContact O-N 3.1Å; A35-T38 WeakPolarHBondContact O-CB 3.48Å; A35-T38 PolarHBondContact O-N 3.42Å; A35-V39 WeakPolarHBondContact O-CG2 3.38Å; A35-V39 PolarHBondContact O-N 3.2Å; A35-Y79 HydrophobicContact CB-CE1 4.22Å
36Y85.6Confident81.1Confident49 Ų4958.2 Ų58.219%0.19229%0.292CS..Hα-helixtrans-63.5-48.2179.7-170.4-98.8000112.3F19 Q23 S33 K34 T38 V39 L40F19-Y36 AromaticContact CD1-CZ 3.97Å; F19-Y36 PolarHBondContact O-OH 3.24Å; Q23-Y36 HydrophobicContact CB-CE1 4.34Å; S33-Y36 WeakPolarHBondContact O-CB 3.49Å; S33-Y36 PolarHBondContact O-N 2.95Å; S33-Y36 VanDerWaalsContact OG-CB 3.29Å; S33-Y36 WeakPolarHBondContact OG-CB 3.34Å; S33-Y36 PolarHBondContact OG-N 3.2Å; S33-Y36 VanDerWaalsContact OG-N 3.1Å; K34-Y36 PolarHBondContact O-N 3.21Å; Y36-T38 PolarHBondContact O-N 3.42Å; Y36-V39 PolarHBondContact O-N 3.18Å; Y36-L40 WeakPolarHBondContact O-CB 3.49Å; Y36-L40 PolarHBondContact O-N 2.82Å
37V89.6Confident83Confident7 Ų754 Ų544%0.04227%0.274CS..Hα-helixtrans-60.6-36.6177.1-178.10000110.8F32 S33 K34 L40 M41 L71 T75F32-V37 HydrophobicContact CD1-CG2 4.06Å; S33-V37 PolarHBondContact O-N 2.87Å; K34-V37 PolarHBondContact O-N 3.01Å; V37-L40 PolarHBondContact O-N 3.43Å; V37-M41 HydrophobicContact CG1-CG 4.18Å; V37-M41 WeakPolarHBondContact O-CB 3.45Å; V37-M41 WeakPolarHBondContact O-CG 3.39Å; V37-M41 PolarHBondContact O-N 3.22Å; V37-L71 HydrophobicContact CG1-CD2 3.98Å; V37-T75 HydrophobicContact CB-CG2 4.4Å; V37-T75 HydrophobicContact CG1-CG2 4.4Å
38T93.3Very high84.9Confident11 Ų1148.9 Ų48.97%0.06725%0.247CC..Hα-helixtrans-62-50.7176.1-530000111.9K34 A35 Y36 L40 M41 T42 L71 Y79 A83K34-T38 WeakPolarHBondContact O-CB 3.45Å; K34-T38 PolarHBondContact O-N 3.36Å; K34-T38 PolarHBondContact O-OG1 2.97Å; A35-T38 WeakPolarHBondContact O-CB 3.48Å; A35-T38 PolarHBondContact O-N 3.42Å; Y36-T38 PolarHBondContact O-N 3.42Å; T38-L40 PolarHBondContact O-N 3.46Å; T38-M41 PolarHBondContact O-N 3.07Å; T38-T42 WeakPolarHBondContact O-CB 3.4Å; T38-T42 PolarHBondContact O-N 3.14Å; T38-T42 PolarHBondContact O-OG1 3.34Å; T38-L71 HydrophobicContact CG2-CD1 4.25Å; T38-Y79 HydrophobicContact CG2-CD1 4.1Å; T38-Y79 WeakPolarHBondContact OG1-CB 3.43Å; T38-Y79 VanDerWaalsContact OG1-CD1 3.23Å; T38-Y79 WeakPolarHBondContact OG1-CD1 3.42Å; T38-A83 HydrophobicContact CG2-CB 3.93Å
39V92.5Very high86.5Confident80 Ų8041.6 Ų41.649%0.48522%0.216SC..Hα-helixtrans-59.9-47.7178172.90000110.7A35 Y36 T42 I43A35-V39 WeakPolarHBondContact O-CG2 3.38Å; A35-V39 PolarHBondContact O-N 3.2Å; Y36-V39 PolarHBondContact O-N 3.18Å; V39-T42 PolarHBondContact O-N 3.42Å; V39-I43 HydrophobicContact CG1-CD1 3.75Å; V39-I43 WeakPolarHBondContact O-CG1 3.01Å; V39-I43 PolarHBondContact O-N 2.95Å
40L92Very high88.3Confident0 Ų037.3 Ų37.30%021%0.208CC..Hα-helixtrans-56-56.2178.1165.851.2000112.1F19 Y36 V37 T38 T42 I43 V44F19-L40 HydrophobicContact CB-CB 4.46Å; F19-L40 HydrophobicContact CB-CD1 3.46Å; F19-L40 VanDerWaalsContact CB-CD1 3.46Å; F19-L40 HydrophobicContact CB-CD2 3.8Å; F19-L40 HydrophobicContact CB-CG 4.08Å; F19-L40 HydrophobicContact CD1-CB 4.1Å; F19-L40 HydrophobicContact CD1-CD1 4.05Å; F19-L40 HydrophobicContact CD2-CD1 3.39Å; F19-L40 HydrophobicContact CE2-CD1 4.09Å; F19-L40 HydrophobicContact CG-CB 4.24Å; F19-L40 HydrophobicContact CG-CD1 3.35Å; F19-L40 HydrophobicContact CG-CD2 4.42Å; F19-L40 HydrophobicContact CG-CG 4.18Å; Y36-L40 WeakPolarHBondContact O-CB 3.49Å; Y36-L40 PolarHBondContact O-N 2.82Å; V37-L40 PolarHBondContact O-N 3.43Å; T38-L40 PolarHBondContact O-N 3.46Å; L40-T42 VanDerWaalsContact C-N 3.28Å; L40-T42 PolarHBondContact O-N 3.32Å; L40-I43 PolarHBondContact O-N 2.9Å; L40-V44 HydrophobicContact CD1-CG2 3.75Å; L40-V44 WeakPolarHBondContact O-CG2 3.46Å; L40-V44 PolarHBondContact O-N 3.25Å
41M94.3Very high89.8Confident0 Ų040.7 Ų40.70%022%0.22CC..Hα-helixtrans-69.3-28.7-175.5-65.3-62.5159.900112.4I16 V37 T38 S45 P67 F70 L71 F171I16-M41 HydrophobicContact CD1-CE 4.39Å; I16-M41 HydrophobicContact CG1-CE 4.04Å; V37-M41 HydrophobicContact CG1-CG 4.18Å; V37-M41 WeakPolarHBondContact O-CB 3.45Å; V37-M41 WeakPolarHBondContact O-CG 3.39Å; V37-M41 PolarHBondContact O-N 3.22Å; T38-M41 PolarHBondContact O-N 3.07Å; M41-S45 WeakPolarHBondContact O-CB 3.43Å; M41-S45 PolarHBondContact O-N 3.11Å; M41-P67 HydrophobicContact CB-CB 4.09Å; M41-P67 WeakPolarHBondContact O-CB 3.5Å; M41-P67 HydrophobicContact SD-CB 3.96Å; M41-F70 HydrophobicContact CE-CB 4.15Å; M41-F70 HydrophobicContact CE-CD1 4.04Å; M41-F70 HydrophobicContact CE-CG 4.07Å; M41-F70 HydrophobicContact CG-CB 4.04Å; M41-F70 HydrophobicContact SD-CB 3.96Å; M41-F70 HydrophobicContact SD-CD2 4.31Å; M41-F70 HydrophobicContact SD-CG 4.05Å; M41-L71 HydrophobicContact CB-CD1 4.16Å; M41-L71 HydrophobicContact CB-CD2 3.85Å; M41-L71 HydrophobicContact CB-CG 3.88Å; M41-L71 HydrophobicContact CG-CD2 3.98Å; M41-L71 HydrophobicContact CG-CG 4.32Å; M41-F171 HydrophobicContact CE-CD2 3.78Å; M41-F171 HydrophobicContact CE-CE2 3.82Å
42T96Very high91.2Very high13 Ų1336.8 Ų36.88%0.0820%0.197CC..Hα-helixtrans-64.5-48.4171.6-53.10000110.4T38 V39 L40 V44 S45 L46 A83 I86 V87T38-T42 WeakPolarHBondContact O-CB 3.4Å; T38-T42 PolarHBondContact O-N 3.14Å; T38-T42 PolarHBondContact O-OG1 3.34Å; V39-T42 PolarHBondContact O-N 3.42Å; L40-T42 VanDerWaalsContact C-N 3.28Å; L40-T42 PolarHBondContact O-N 3.32Å; T42-V44 PolarHBondContact O-N 2.85Å; T42-S45 WeakPolarHBondContact O-CB 3.42Å; T42-S45 PolarHBondContact O-N 3.44Å; T42-L46 HydrophobicContact CG2-CD1 4.32Å; T42-L46 VanDerWaalsContact O-CG 3.31Å; T42-L46 WeakPolarHBondContact O-CG 3.42Å; T42-L46 PolarHBondContact O-N 3.45Å; T42-A83 WeakPolarHBondContact OG1-CB 3.48Å; T42-I86 HydrophobicContact CG2-CB 4.42Å; T42-I86 HydrophobicContact CG2-CG2 4.13Å; T42-V87 HydrophobicContact CG2-CG2 4.13Å
43I95.3Very high92.2Very high62 Ų6234.6 Ų34.632%0.31819%0.188SC..Hα-helixtrans-62.8-45.2178.9-70169.1000110.8F19 V39 L40 S45 L46 L47F19-I43 HydrophobicContact CE1-CD1 4.15Å; F19-I43 HydrophobicContact CE2-CD1 4.44Å; F19-I43 HydrophobicContact CE2-CG2 4.16Å; F19-I43 HydrophobicContact CZ-CB 4.41Å; F19-I43 HydrophobicContact CZ-CD1 3.52Å; F19-I43 HydrophobicContact CZ-CG2 4.26Å; V39-I43 HydrophobicContact CG1-CD1 3.75Å; V39-I43 WeakPolarHBondContact O-CG1 3.01Å; V39-I43 PolarHBondContact O-N 2.95Å; L40-I43 PolarHBondContact O-N 2.9Å; I43-S45 VanDerWaalsContact C-N 3.33Å; I43-S45 PolarHBondContact O-N 2.97Å; I43-L46 PolarHBondContact O-N 3.46Å; I43-L47 HydrophobicContact CG2-CD1 4.01Å; I43-L47 HydrophobicContact CG2-CG 4.39Å; I43-L47 VanDerWaalsContact O-CG 3.31Å; I43-L47 WeakPolarHBondContact O-CG 3.45Å; I43-L47 PolarHBondContact O-N 2.85Å
44V95Very high92.4Very high0 Ų034.6 Ų34.60%019%0.186CC..Hα-helixtrans-61.6-44.1176.8173.70000110.6I12 L40 T42 L46 L47 L48 P67I12-V44 HydrophobicContact CB-CG1 4.17Å; I12-V44 HydrophobicContact CG1-CG1 3.71Å; I12-V44 HydrophobicContact CG2-CG1 4.3Å; L40-V44 HydrophobicContact CD1-CG2 3.75Å; L40-V44 WeakPolarHBondContact O-CG2 3.46Å; L40-V44 PolarHBondContact O-N 3.25Å; T42-V44 PolarHBondContact O-N 2.85Å; V44-L46 VanDerWaalsContact C-N 3.35Å; V44-L46 PolarHBondContact O-N 3.32Å; V44-L47 PolarHBondContact O-N 2.84Å; V44-L48 WeakPolarHBondContact O-CG 3.45Å; V44-L48 PolarHBondContact O-N 3.33Å; V44-P67 HydrophobicContact CB-CB 4.47Å; V44-P67 HydrophobicContact CB-CG 4.3Å; V44-P67 HydrophobicContact CG1-CB 4.3Å; V44-P67 HydrophobicContact CG1-CG 3.69Å
45S96.2Very high92.2Very high0 Ų031.3 Ų31.30%017%0.172CC..Hα-helixtrans-56.5-48.2175.8-175.10000111.6M41 T42 I43 L47 L48 S49 T64 V87M41-S45 WeakPolarHBondContact O-CB 3.43Å; M41-S45 PolarHBondContact O-N 3.11Å; T42-S45 WeakPolarHBondContact O-CB 3.42Å; T42-S45 PolarHBondContact O-N 3.44Å; I43-S45 VanDerWaalsContact C-N 3.33Å; I43-S45 PolarHBondContact O-N 2.97Å; S45-L47 VanDerWaalsContact C-N 3.34Å; S45-L47 PolarHBondContact O-N 3.01Å; S45-L48 PolarHBondContact O-N 3.44Å; S45-S49 PolarHBondContact O-N 2.99Å; S45-S49 PolarHBondContact O-OG 3.37Å; S45-T64 PolarHBondContact OG-O 3.48Å; S45-V87 WeakPolarHBondContact OG-CG1 3.44Å
46L96.1Very high91.7Very high43 Ų4337.5 Ų37.523%0.22519%0.185CC..Hα-helixtrans-63.5-35.5177.2-67.6176000113.2T42 I43 V44 L48 S49 V87 V90T42-L46 HydrophobicContact CG2-CD1 4.32Å; T42-L46 VanDerWaalsContact O-CG 3.31Å; T42-L46 WeakPolarHBondContact O-CG 3.42Å; T42-L46 PolarHBondContact O-N 3.45Å; I43-L46 PolarHBondContact O-N 3.46Å; V44-L46 VanDerWaalsContact C-N 3.35Å; V44-L46 PolarHBondContact O-N 3.32Å; L46-L48 VanDerWaalsContact C-N 3.34Å; L46-S49 VanDerWaalsContact O-CB 3.3Å; L46-S49 WeakPolarHBondContact O-CB 3.4Å; L46-S49 PolarHBondContact O-N 3.41Å; L46-V87 HydrophobicContact CD2-CB 4.41Å; L46-V87 HydrophobicContact CD2-CG2 4.09Å; L46-V87 HydrophobicContact CG-CG2 4.28Å; L46-V90 HydrophobicContact CD2-CB 3.68Å; L46-V90 HydrophobicContact CD2-CG1 3.76Å; L46-V90 HydrophobicContact CD2-CG2 3.93Å
47L94.4Very high91.1Very high73 Ų7344.4 Ų44.438%0.38222%0.219SC..Hα-helixtrans-68.9-33.5175.8-71.1172.4000111.9V11 I43 V44 S45 S49 V50V11-L47 HydrophobicContact CG1-CB 3.52Å; V11-L47 HydrophobicContact CG1-CD1 4.21Å; I43-L47 HydrophobicContact CG2-CD1 4.01Å; I43-L47 HydrophobicContact CG2-CG 4.39Å; I43-L47 VanDerWaalsContact O-CG 3.31Å; I43-L47 WeakPolarHBondContact O-CG 3.45Å; I43-L47 PolarHBondContact O-N 2.85Å; V44-L47 PolarHBondContact O-N 2.84Å; S45-L47 VanDerWaalsContact C-N 3.34Å; S45-L47 PolarHBondContact O-N 3.01Å; L47-S49 VanDerWaalsContact C-N 3.28Å; L47-S49 PolarHBondContact O-N 2.87Å; L47-V50 WeakPolarHBondContact O-CB 3.48Å; L47-V50 PolarHBondContact O-N 2.83Å
48L94.4Very high90.3Very high1 Ų150.6 Ų50.61%0.00525%0.252CS..Hα-helixtrans-68.2-29.8172.9-60.3174.7000112.2N8 V11 I12 V44 S45 L46 V50 Y51 T64 P67N8-L48 HydrophobicContact CB-CD2 3.85Å; N8-L48 WeakPolarHBondContact O-CD2 3.18Å; N8-L48 WeakPolarHBondContact OD1-CB 3.23Å; N8-L48 WeakPolarHBondContact OD1-CD2 3.37Å; V11-L48 HydrophobicContact CB-CD2 4.01Å; V11-L48 HydrophobicContact CG1-CD2 3.85Å; V11-L48 HydrophobicContact CG1-CG 4.45Å; I12-L48 HydrophobicContact CD1-CD1 3.5Å; I12-L48 VanDerWaalsContact CD1-CD1 3.5Å; I12-L48 HydrophobicContact CD1-CD2 4.07Å; I12-L48 HydrophobicContact CD1-CG 4.37Å; I12-L48 HydrophobicContact CG1-CD1 3.64Å; I12-L48 HydrophobicContact CG1-CD2 3.67Å; I12-L48 HydrophobicContact CG1-CG 4.08Å; V44-L48 WeakPolarHBondContact O-CG 3.45Å; V44-L48 PolarHBondContact O-N 3.33Å; S45-L48 PolarHBondContact O-N 3.44Å; L46-L48 VanDerWaalsContact C-N 3.34Å; L48-V50 PolarHBondContact O-N 2.97Å; L48-Y51 PolarHBondContact O-N 3.17Å; L48-T64 HydrophobicContact CB-CG2 4.12Å; L48-P67 HydrophobicContact CD1-CG 3.67Å
49S93.1Very high89.6Confident2 Ų253.6 Ų53.61%0.01426%0.263CS..Hα-helixtrans-61.8-26.9175.2-52.60000112.7S45 L46 L47 Y51 T64 E91S45-S49 PolarHBondContact O-N 2.99Å; S45-S49 PolarHBondContact O-OG 3.37Å; L46-S49 VanDerWaalsContact O-CB 3.3Å; L46-S49 WeakPolarHBondContact O-CB 3.4Å; L46-S49 PolarHBondContact O-N 3.41Å; L47-S49 VanDerWaalsContact C-N 3.28Å; L47-S49 PolarHBondContact O-N 2.87Å; S49-Y51 VanDerWaalsContact C-N 3.31Å; S49-Y51 PolarHBondContact O-N 3.47Å; S49-T64 WeakPolarHBondContact OG-CG2 3.35Å; S49-E91 WeakPolarHBondContact CB-OE1 3.35Å; S49-E91 PolarHBondContact OG-OE1 3.17Å
50V92.7Very high89.3Confident81 Ų8154 Ų5449%0.49126%0.262SS..THydrogen-bonded Turntrans-66.3-31.9-177.9178.40000112.3L47 L48 F95L47-V50 WeakPolarHBondContact O-CB 3.48Å; L47-V50 PolarHBondContact O-N 2.83Å; L48-V50 PolarHBondContact O-N 2.97Å; V50-F95 HydrophobicContact CG2-CZ 4Å
51Y92.2Very high89.1Confident87 Ų8754.3 Ų54.334%0.34126%0.263SS..SBendtrans-138.874.3-175.9-155.4-127.6000111.6E3 A4 Y7 N8 L48 S49E3-Y51 HydrophobicContact CG-CE1 4.4Å; A4-Y51 VanDerWaalsContact CA-CE1 3.43Å; A4-Y51 HydrophobicContact CB-CD1 3.71Å; A4-Y51 HydrophobicContact CB-CE1 3.59Å; Y7-Y51 AromaticContact CD1-CD1 3.92Å; Y7-Y51 HydrophobicContact CD1-CD1 3.92Å; Y7-Y51 HydrophobicContact CD1-CG 4.21Å; Y7-Y51 HydrophobicContact CD2-CD1 4.41Å; Y7-Y51 VanDerWaalsContact CE1-CB 3.49Å; Y7-Y51 AromaticContact CG-CD1 3.79Å; Y7-Y51 HydrophobicContact CG-CD1 3.79Å; Y7-Y51 HydrophobicContact CG-CG 4.42Å; N8-Y51 PolarHBondContact ND2-O 3.03Å; L48-Y51 PolarHBondContact O-N 3.17Å; S49-Y51 VanDerWaalsContact C-N 3.31Å; S49-Y51 PolarHBondContact O-N 3.47Å
52P92.2Very high88.9Confident21 Ų2155.4 Ų55.414%0.13627%0.268CS..  trans-64.9157.417529.5-34.7000110.7P54 L60P52-P54 VanDerWaalsContact O-CD 3.23Å; P52-P54 WeakPolarHBondContact O-CD 3.47Å; P52-L60 HydrophobicContact CB-CB 4.13Å; P52-L60 HydrophobicContact CG-CB 4.17Å; P52-L60 HydrophobicContact CG-CD1 4.07Å; P52-L60 HydrophobicContact CG-CD2 4.26Å; P52-L60 HydrophobicContact CG-CG 4.4Å
53I90.7Very high88.7Confident0 Ų054.9 Ų54.90%027%0.265CS..EExtended strand (participates in β ladder)trans-83.1114.9-176-61.7174000109.2M1 A4 F5 Y55 I61 L63 I159M1-I53 HydrophobicContact CB-CG2 4.35Å; M1-I53 HydrophobicContact CG-CG2 3.51Å; A4-I53 HydrophobicContact CB-CB 4.26Å; A4-I53 HydrophobicContact CB-CG1 3.89Å; F5-I53 HydrophobicContact CB-CD1 4.12Å; F5-I53 HydrophobicContact CD2-CD1 4.08Å; I53-Y55 PolarHBondContact O-N 3.45Å; I53-I61 HydrophobicContact CB-CB 4.21Å; I53-I61 PolarHBondContact N-O 3.26Å; I53-I61 PolarHBondContact O-N 3.48Å; I53-L63 HydrophobicContact CD1-CD1 3.43Å; I53-L63 VanDerWaalsContact CD1-CD1 3.43Å; I53-L63 HydrophobicContact CG1-CD1 4.21Å; I53-I159 HydrophobicContact CD1-CD1 4.44Å; I53-I159 HydrophobicContact CD1-CG2 3.67Å
54P87.5Confident88.7Confident50 Ų5051.9 Ų51.933%0.32525%0.25SC..EExtended strand (participates in β ladder)trans-71.7132.8178.829-34000110.6P52 L60P52-P54 VanDerWaalsContact O-CD 3.23Å; P52-P54 WeakPolarHBondContact O-CD 3.47Å; P54-L60 HydrophobicContact CB-CD2 4.21Å
55Y84.4Confident88.7Confident32 Ų3252.2 Ų52.213%0.12525%0.251CS..EExtended strand (participates in β ladder)trans-127.3119.9174.7177.8-114.1000110.3M1 I53 Y59 I61 E152 I155M1-Y55 HydrophobicContact CE-CD2 3.59Å; M1-Y55 HydrophobicContact CE-CE2 4.36Å; I53-Y55 PolarHBondContact O-N 3.45Å; Y55-Y59 PolarHBondContact N-O 2.95Å; Y55-Y59 VanDerWaalsContact O-CB 3.26Å; Y55-Y59 WeakPolarHBondContact O-CB 3.26Å; Y55-Y59 PolarHBondContact O-N 2.64Å; Y55-I61 HydrophobicContact CG-CD1 4.39Å; Y55-E152 HydrophobicContact CD1-CG 4.13Å; Y55-I155 HydrophobicContact CD1-CD1 4.27Å; Y55-I155 HydrophobicContact CD2-CD1 3.5Å; Y55-I155 VanDerWaalsContact CD2-CD1 3.5Å; Y55-I155 HydrophobicContact CE1-CD1 3.78Å; Y55-I155 HydrophobicContact CE2-CD1 2.92Å; Y55-I155 HydrophobicContact CE2-CG1 4.4Å; Y55-I155 HydrophobicContact CG-CD1 4.15Å; Y55-I155 VanDerWaalsContact OH-CD1 3.29Å; Y55-I155 WeakPolarHBondContact OH-CD1 3.24Å
56R77.8Confident88.7Confident176 Ų17652.2 Ų52.266%0.66425%0.251SS*.THydrogen-bonded Turntrans52.8-167.1-169-56.8-176.8177.7-160.1-2.7111.1Y59R56-Y59 HydrophobicContact CB-CD2 4.43Å
57E72.5Confident88.7Confident193 Ų19350.2 Ų50.290%0.90224%0.241SC*.THydrogen-bonded Turntrans-76.5-26-175.2-65.9-171166.400113.4
58D73.6Confident88.8Confident137 Ų13746.9 Ų46.973%0.73322%0.223SC*.THydrogen-bonded Turntrans-114.1-8-167.6-61.4-44.2000115.7
59Y79.5Confident88.9Confident75 Ų7546.8 Ų46.829%0.29422%0.223SC..EExtended strand (participates in β ladder)trans-116.8136.4-168-58.4-73.2000113.7Y55 R56 T149 E152Y55-Y59 PolarHBondContact N-O 2.95Å; Y55-Y59 VanDerWaalsContact O-CB 3.26Å; Y55-Y59 WeakPolarHBondContact O-CB 3.26Å; Y55-Y59 PolarHBondContact O-N 2.64Å; R56-Y59 HydrophobicContact CB-CD2 4.43Å; Y59-T149 HydrophobicContact CD1-CG2 4.43Å; Y59-T149 HydrophobicContact CE1-CG2 3.52Å; Y59-T149 WeakPolarHBondContact OH-CG2 3.36Å; Y59-E152 WeakPolarHBondContact CB-OE1 3.47Å; Y59-E152 HydrophobicContact CD1-CG 4.02Å; Y59-E152 WeakPolarHBondContact CD1-OE1 3.26Å; Y59-E152 WeakPolarHBondContact CD1-OE2 3.37Å; Y59-E152 HydrophobicContact CG-CG 3.87Å
60L85.5Confident89Confident88 Ų8846.7 Ų46.746%0.46122%0.222SC..EExtended strand (participates in β ladder)trans-119.7116.5179.5-63179.4000109.7P52 P54 H62P52-L60 HydrophobicContact CB-CB 4.13Å; P52-L60 HydrophobicContact CG-CB 4.17Å; P52-L60 HydrophobicContact CG-CD1 4.07Å; P52-L60 HydrophobicContact CG-CD2 4.26Å; P52-L60 HydrophobicContact CG-CG 4.4Å; P54-L60 HydrophobicContact CB-CD2 4.21Å; L60-H62 PolarHBondContact O-CD2 3.43Å; L60-H62 PolarHBondContact O-N 3.37Å
61I86.8Confident89.1Confident6 Ų642.9 Ų42.93%0.03120%0.199CC..EExtended strand (participates in β ladder)trans-87.8111.8178.5-58.6177.2000108.7I53 Y55 I155 L156I53-I61 HydrophobicContact CB-CB 4.21Å; I53-I61 PolarHBondContact N-O 3.26Å; I53-I61 PolarHBondContact O-N 3.48Å; Y55-I61 HydrophobicContact CG-CD1 4.39Å; I61-I155 HydrophobicContact CD1-CB 4.23Å; I61-I155 HydrophobicContact CD1-CG2 3.66Å; I61-L156 HydrophobicContact CG2-CB 4.25Å; I61-L156 HydrophobicContact CG2-CD1 3.49Å; I61-L156 VanDerWaalsContact CG2-CD1 3.49Å; I61-L156 HydrophobicContact CG2-CG 4.41Å
62H90.3Very high89.2Confident24 Ų2438.7 Ų38.711%0.11118%0.183CC..  trans-93.4131.6178.3-64.5-95.9000111.8L60 F65 N97 Y101L60-H62 PolarHBondContact O-CD2 3.43Å; L60-H62 PolarHBondContact O-N 3.37Å; H62-F65 WeakPolarHBondContact O-CE1 3.34Å; H62-N97 PolarHBondContact CE1-ND2 3.22Å; H62-Y101 HydrophobicContact CB-CE2 4.01Å; H62-Y101 WeakPolarHBondContact CB-OH 3.46Å
63L93.2Very high89.3Confident1 Ų139.7 Ų39.71%0.00518%0.184CC..  trans-110.414.5-179.8-68159.1000113N8 I53 F65 V66 L156 I159 I163N8-L63 HydrophobicContact CB-CD1 4.06Å; I53-L63 HydrophobicContact CD1-CD1 3.43Å; I53-L63 VanDerWaalsContact CD1-CD1 3.43Å; I53-L63 HydrophobicContact CG1-CD1 4.21Å; L63-F65 PolarHBondContact O-N 2.92Å; L63-V66 HydrophobicContact CB-CG2 4.46Å; L63-V66 HydrophobicContact CD2-CG2 4.33Å; L63-V66 WeakPolarHBondContact O-CB 3.41Å; L63-V66 WeakPolarHBondContact O-CG2 3.43Å; L63-V66 PolarHBondContact O-N 2.83Å; L63-L156 HydrophobicContact CD2-CD1 3.76Å; L63-I159 HydrophobicContact CD1-CG2 3.95Å; L63-I159 HydrophobicContact CD2-CG2 4.01Å; L63-I163 HydrophobicContact CD1-CD1 3.22Å; L63-I163 HydrophobicContact CD2-CD1 4.25Å; L63-I163 HydrophobicContact CG-CD1 4.27Å
64T93.8Very high89.3Confident0 Ų042.1 Ų42.10%019%0.194CC..THydrogen-bonded Turntrans-66.3-21.8-172.656.10000112.1S45 L48 S49 V66 P67 E91 Y101S45-T64 PolarHBondContact OG-O 3.48Å; L48-T64 HydrophobicContact CB-CG2 4.12Å; S49-T64 WeakPolarHBondContact OG-CG2 3.35Å; T64-V66 VanDerWaalsContact C-N 3.31Å; T64-V66 PolarHBondContact O-N 2.95Å; T64-P67 WeakPolarHBondContact O-CD 3.44Å; T64-E91 VanDerWaalsContact CG2-OE1 3.28Å; T64-E91 WeakPolarHBondContact CG2-OE1 3.41Å; T64-Y101 PolarHBondContact OG1-OH 3.35Å
65F95.7Very high89.5Confident6 Ų640.2 Ų40.23%0.02618%0.182CC..Hα-helixtrans-69.1-25171.468.8-94.9000113.5H62 L63 L68 L69 L105 T134 L138 L156H62-F65 WeakPolarHBondContact O-CE1 3.34Å; L63-F65 PolarHBondContact O-N 2.92Å; F65-L68 WeakPolarHBondContact O-CB 3.34Å; F65-L68 PolarHBondContact O-N 3.4Å; F65-L69 HydrophobicContact CD2-CD1 4.38Å; F65-L69 WeakPolarHBondContact O-CG 3.44Å; F65-L69 PolarHBondContact O-N 2.97Å; F65-L105 HydrophobicContact CB-CD2 3.91Å; F65-T134 HydrophobicContact CD2-CG2 3.53Å; F65-T134 HydrophobicContact CE2-CG2 3.72Å; F65-T134 HydrophobicContact CG-CG2 4.03Å; F65-T134 HydrophobicContact CZ-CG2 4.36Å; F65-L138 HydrophobicContact CE1-CD1 4.28Å; F65-L156 HydrophobicContact CE1-CD1 4.06Å; F65-L156 HydrophobicContact CE1-CD2 4.21Å; F65-L156 HydrophobicContact CZ-CD1 4.11Å; F65-L156 HydrophobicContact CZ-CD2 4.32Å
66V96.6Very high89.8Confident0 Ų041.4 Ų41.40%019%0.19CC..Hα-helixtrans-61.3-50.1-173175.40000111.9I12 L63 T64 L68 L69 F70 I163I12-V66 HydrophobicContact CD1-CG1 4.43Å; L63-V66 HydrophobicContact CB-CG2 4.46Å; L63-V66 HydrophobicContact CD2-CG2 4.33Å; L63-V66 WeakPolarHBondContact O-CB 3.41Å; L63-V66 WeakPolarHBondContact O-CG2 3.43Å; L63-V66 PolarHBondContact O-N 2.83Å; T64-V66 VanDerWaalsContact C-N 3.31Å; T64-V66 PolarHBondContact O-N 2.95Å; V66-L68 PolarHBondContact O-N 3.47Å; V66-L69 WeakPolarHBondContact O-CB 3.26Å; V66-L69 PolarHBondContact O-N 3.08Å; V66-L69 VanDerWaalsContact O-N 3.15Å; V66-F70 HydrophobicContact CG1-CE2 4.46Å; V66-F70 WeakPolarHBondContact O-CD2 3.48Å; V66-I163 HydrophobicContact CG1-CG2 4.18Å
67P95.7Very high90.7Very high1 Ų137.2 Ų37.21%0.00618%0.179CC..Hα-helixtrans-60-30.4173.6-25.936.7000113.7M41 V44 L48 T64 L69 F70M41-P67 HydrophobicContact CB-CB 4.09Å; M41-P67 WeakPolarHBondContact O-CB 3.5Å; M41-P67 HydrophobicContact SD-CB 3.96Å; V44-P67 HydrophobicContact CB-CB 4.47Å; V44-P67 HydrophobicContact CB-CG 4.3Å; V44-P67 HydrophobicContact CG1-CB 4.3Å; V44-P67 HydrophobicContact CG1-CG 3.69Å; L48-P67 HydrophobicContact CD1-CG 3.67Å; T64-P67 WeakPolarHBondContact O-CD 3.44Å; P67-L69 VanDerWaalsContact C-N 3.27Å; P67-L69 PolarHBondContact O-N 2.91Å; P67-F70 WeakPolarHBondContact O-CB 3.25Å; P67-F70 PolarHBondContact O-N 2.95Å
68L96.5Very high91.8Very high3 Ų333.2 Ų33.22%0.01617%0.168CC..Hα-helixtrans-68.9-25.9179.2-56.5176.4000112.2F65 V66 F70 L71 G72 A83 T84 V87F65-L68 WeakPolarHBondContact O-CB 3.34Å; F65-L68 PolarHBondContact O-N 3.4Å; V66-L68 PolarHBondContact O-N 3.47Å; L68-F70 PolarHBondContact O-N 2.99Å; L68-L71 HydrophobicContact CD2-CD1 4.18Å; L68-L71 WeakPolarHBondContact O-CB 3.34Å; L68-L71 PolarHBondContact O-N 3.32Å; L68-L71 VanDerWaalsContact O-N 3.11Å; L68-G72 PolarHBondContact O-N 3.31Å; L68-A83 HydrophobicContact CD2-CB 4.27Å; L68-T84 HydrophobicContact CD1-CG2 4.04Å; L68-V87 HydrophobicContact CD2-CG2 4.42Å
69L97Very high92.8Very high0 Ų030.6 Ų30.60%015%0.148CC..Hα-helixtrans-61.7-34.9173.3-53.6-177.3000111.8F65 V66 P67 L71 G72 R73 I108 T112 L127 L130 N131 T134F65-L69 HydrophobicContact CD2-CD1 4.38Å; F65-L69 WeakPolarHBondContact O-CG 3.44Å; F65-L69 PolarHBondContact O-N 2.97Å; V66-L69 WeakPolarHBondContact O-CB 3.26Å; V66-L69 PolarHBondContact O-N 3.08Å; V66-L69 VanDerWaalsContact O-N 3.15Å; P67-L69 VanDerWaalsContact C-N 3.27Å; P67-L69 PolarHBondContact O-N 2.91Å; L69-L71 VanDerWaalsContact C-N 3.29Å; L69-L71 PolarHBondContact O-N 3.25Å; L69-G72 PolarHBondContact O-N 3.04Å; L69-R73 PolarHBondContact O-N 3.23Å; L69-I108 HydrophobicContact CD2-CG2 4.41Å; L69-T112 HydrophobicContact CD2-CG2 3.71Å; L69-L127 HydrophobicContact CB-CD2 4.12Å; L69-L130 HydrophobicContact CD2-CB 4.34Å; L69-N131 HydrophobicContact CD1-CB 3.79Å; L69-T134 WeakPolarHBondContact CD2-OG1 3.41Å
70F95.1Very high93.6Very high0 Ų027 Ų270%013%0.134CC..Hα-helixtrans-63.1-38.8175.1-69.6-105.1000110.9M41 V66 P67 L68 R73 F74 L127 S167 A168 F171M41-F70 HydrophobicContact CE-CB 4.15Å; M41-F70 HydrophobicContact CE-CD1 4.04Å; M41-F70 HydrophobicContact CE-CG 4.07Å; M41-F70 HydrophobicContact CG-CB 4.04Å; M41-F70 HydrophobicContact SD-CB 3.96Å; M41-F70 HydrophobicContact SD-CD2 4.31Å; M41-F70 HydrophobicContact SD-CG 4.05Å; V66-F70 HydrophobicContact CG1-CE2 4.46Å; V66-F70 WeakPolarHBondContact O-CD2 3.48Å; P67-F70 WeakPolarHBondContact O-CB 3.25Å; P67-F70 PolarHBondContact O-N 2.95Å; L68-F70 PolarHBondContact O-N 2.99Å; F70-R73 PolarHBondContact O-N 2.97Å; F70-F74 HydrophobicContact CB-CD2 4.16Å; F70-F74 HydrophobicContact CD1-CD2 4.19Å; F70-F74 AromaticContact CD1-CE2 3.78Å; F70-F74 HydrophobicContact CD1-CE2 3.78Å; F70-F74 HydrophobicContact CE1-CE2 4.49Å; F70-F74 WeakPolarHBondContact O-CB 3.41Å; F70-F74 VanDerWaalsContact O-CD2 3.22Å; F70-F74 WeakPolarHBondContact O-CD2 3.45Å; F70-F74 PolarHBondContact O-N 2.67Å; F70-L127 HydrophobicContact CD1-CD1 3.93Å; F70-L127 HydrophobicContact CD1-CD2 4.4Å; F70-L127 HydrophobicContact CD2-CD2 4.24Å; F70-L127 HydrophobicContact CE1-CD1 3.51Å; F70-L127 HydrophobicContact CE2-CD1 4.35Å; F70-L127 HydrophobicContact CE2-CD2 4.45Å; F70-L127 HydrophobicContact CG-CD1 4.48Å; F70-L127 HydrophobicContact CG-CD2 4.19Å; F70-L127 HydrophobicContact CZ-CD1 3.74Å; F70-S167 WeakPolarHBondContact CZ-OG 3.34Å; F70-A168 HydrophobicContact CZ-CB 4.39Å; F70-F171 HydrophobicContact CD1-CB 4.26Å; F70-F171 HydrophobicContact CD1-CD1 4.19Å; F70-F171 HydrophobicContact CD1-CD2 4.13Å; F70-F171 AromaticContact CD1-CG 3.93Å; F70-F171 HydrophobicContact CD1-CG 3.93Å; F70-F171 HydrophobicContact CE1-CB 3.64Å; F70-F171 HydrophobicContact CE1-CD1 4.26Å; F70-F171 HydrophobicContact CE1-CD2 4.31Å; F70-F171 AromaticContact CE1-CG 3.82Å; F70-F171 HydrophobicContact CE1-CG 3.82Å
71L95.1Very high94.2Very high0 Ų025 Ų250%012%0.124CC..Hα-helixtrans-66.5-43.3175.4-58.2-176.4000111.3V37 T38 M41 L68 L69 R73 T75 T80 A83V37-L71 HydrophobicContact CG1-CD2 3.98Å; T38-L71 HydrophobicContact CG2-CD1 4.25Å; M41-L71 HydrophobicContact CB-CD1 4.16Å; M41-L71 HydrophobicContact CB-CD2 3.85Å; M41-L71 HydrophobicContact CB-CG 3.88Å; M41-L71 HydrophobicContact CG-CD2 3.98Å; M41-L71 HydrophobicContact CG-CG 4.32Å; L68-L71 HydrophobicContact CD2-CD1 4.18Å; L68-L71 WeakPolarHBondContact O-CB 3.34Å; L68-L71 PolarHBondContact O-N 3.32Å; L68-L71 VanDerWaalsContact O-N 3.11Å; L69-L71 VanDerWaalsContact C-N 3.29Å; L69-L71 PolarHBondContact O-N 3.25Å; L71-R73 PolarHBondContact O-N 2.93Å; L71-T75 HydrophobicContact CD2-CG2 3.82Å; L71-T75 WeakPolarHBondContact O-CB 3.35Å; L71-T75 PolarHBondContact O-N 2.89Å; L71-T75 PolarHBondContact O-OG1 2.87Å; L71-T80 HydrophobicContact CB-CG2 3.98Å; L71-T80 WeakPolarHBondContact CB-OG1 3.45Å; L71-T80 PolarHBondContact O-OG1 2.95Å; L71-A83 HydrophobicContact CD1-CB 3.36Å
72G93.5Very high94.7Very high0 Ų027.3 Ų27.30%014%0.14CC..Hα-helixtrans-55.7-34.6173.200000113.4L68 L69 T80 P117L68-G72 PolarHBondContact O-N 3.31Å; L69-G72 PolarHBondContact O-N 3.04Å; G72-T80 PolarHBondContact N-OG1 2.76Å; G72-P117 WeakPolarHBondContact O-CD 3.21Å
73R94.6Very high95Very high41 Ų4126.2 Ų26.216%0.15514%0.135CC..Hα-helixtrans-84.2-48.1178.4177.455.6-177.5175.6-4.2114.1L69 F70 L71 G116 L119 Q121 D123 L127 L130L69-R73 PolarHBondContact O-N 3.23Å; F70-R73 PolarHBondContact O-N 2.97Å; L71-R73 PolarHBondContact O-N 2.93Å; R73-G116 WeakPolarHBondContact CD-O 3.38Å; R73-G116 PolarHBondContact NH1-O 3.38Å; R73-L119 PolarHBondContact NH1-O 3Å; R73-Q121 PolarHBondContact NH2-O 3.37Å; R73-D123 IonicContact CZ-OD1 2.65Å; R73-D123 IonicContact NE-OD1 3.82Å; R73-D123 PolarHBondContact NE-OD1 3.47Å; R73-D123 IonicContact NH2-OD1 2.99Å; R73-D123 PolarHBondContact NH2-OD1 3.11Å; R73-L127 HydrophobicContact CB-CD2 4.06Å; R73-L130 HydrophobicContact CB-CD1 4.15Å
74F91.7Very high95.3Very high51 Ų5126.1 Ų26.122%0.22414%0.135CC..Hα-helixtrans-103.2-8.2-165.1-61.1-65.9000114.7F70 D123 L127 F171F70-F74 HydrophobicContact CB-CD2 4.16Å; F70-F74 HydrophobicContact CD1-CD2 4.19Å; F70-F74 AromaticContact CD1-CE2 3.78Å; F70-F74 HydrophobicContact CD1-CE2 3.78Å; F70-F74 HydrophobicContact CE1-CE2 4.49Å; F70-F74 WeakPolarHBondContact O-CB 3.41Å; F70-F74 VanDerWaalsContact O-CD2 3.22Å; F70-F74 WeakPolarHBondContact O-CD2 3.45Å; F70-F74 PolarHBondContact O-N 2.67Å; F74-D123 HydrophobicContact CE1-CB 4.03Å; F74-D123 HydrophobicContact CZ-CB 3.81Å; F74-L127 HydrophobicContact CE2-CD1 4.17Å; F74-F171 HydrophobicContact CD1-CE1 4.4Å; F74-F171 HydrophobicContact CD2-CD1 4.41Å; F74-F171 AromaticContact CD2-CE1 3.71Å; F74-F171 HydrophobicContact CD2-CE1 3.71Å; F74-F171 HydrophobicContact CD2-CZ 4.08Å; F74-F171 HydrophobicContact CE1-CE1 4.13Å; F74-F171 AromaticContact CE2-CD1 3.7Å; F74-F171 HydrophobicContact CE2-CD1 3.7Å; F74-F171 AromaticContact CE2-CE1 3.4Å; F74-F171 HydrophobicContact CE2-CE1 3.4Å; F74-F171 HydrophobicContact CE2-CZ 4.18Å; F74-F171 HydrophobicContact CG-CE1 4.21Å; F74-F171 AromaticContact CZ-CD1 3.87Å; F74-F171 HydrophobicContact CZ-CD1 3.87Å; F74-F171 AromaticContact CZ-CE1 3.61Å; F74-F171 HydrophobicContact CZ-CE1 3.61Å
75T91.4Very high95.5Very high10 Ų1029.2 Ų29.26%0.06115%0.153CC..SBendtrans-115.8-129-177.772.80000112.2K34 V37 L71 Y79 T80K34-T75 HydrophobicContact CB-CG2 4.22Å; V37-T75 HydrophobicContact CB-CG2 4.4Å; V37-T75 HydrophobicContact CG1-CG2 4.4Å; L71-T75 HydrophobicContact CD2-CG2 3.82Å; L71-T75 WeakPolarHBondContact O-CB 3.35Å; L71-T75 PolarHBondContact O-N 2.89Å; L71-T75 PolarHBondContact O-OG1 2.87Å; T75-Y79 WeakPolarHBondContact OG1-CB 3.25Å; T75-T80 PolarHBondContact OG1-OG1 3.13Å
76N90.7Very high95.6Very high57 Ų5733.1 Ų33.131%0.30517%0.174SC..  trans-145.9171.1170.96627.7000108.5V78 Y79 T80N76-V78 PolarHBondContact O-N 3.09Å; N76-V78 VanDerWaalsContact O-N 3.15Å; N76-V78 WeakPolarHBondContact OD1-CB 3.44Å; N76-V78 PolarHBondContact OD1-N 3.44Å; N76-V78 VanDerWaalsContact OD1-N 3.09Å; N76-Y79 PolarHBondContact O-N 3.18Å; N76-Y79 WeakPolarHBondContact OD1-CD2 3.46Å; N76-Y79 PolarHBondContact OD1-N 3.05Å; N76-T80 PolarHBondContact O-N 3.25Å; N76-T80 PolarHBondContact O-OG1 3.05Å; N76-T80 VanDerWaalsContact O-OG1 3.09Å
77M95.2Very high95.6Very high89 Ų8933.1 Ų33.144%0.43817%0.174SC..Hα-helixtrans-54.7-35.8-178.3-170.7173.4-163.300113.5L81 A110M77-L81 HydrophobicContact CE-CD1 3.99Å; M77-L81 HydrophobicContact CG-CD1 3.74Å; M77-L81 HydrophobicContact CG-CG 4.15Å; M77-L81 VanDerWaalsContact O-CB 3.29Å; M77-L81 WeakPolarHBondContact O-CB 3.49Å; M77-L81 VanDerWaalsContact O-CG 3.26Å; M77-L81 WeakPolarHBondContact O-CG 3.37Å; M77-L81 PolarHBondContact O-N 2.89Å; M77-A110 HydrophobicContact CE-CB 4.18Å
78V95.7Very high95.7Very high109 Ų10933.3 Ų33.366%0.66118%0.176SC*.Hα-helixtrans-65.3-50.1180179.90000111N76 S82N76-V78 PolarHBondContact O-N 3.09Å; N76-V78 VanDerWaalsContact O-N 3.15Å; N76-V78 WeakPolarHBondContact OD1-CB 3.44Å; N76-V78 PolarHBondContact OD1-N 3.44Å; N76-V78 VanDerWaalsContact OD1-N 3.09Å; V78-S82 VanDerWaalsContact O-CB 3.28Å; V78-S82 WeakPolarHBondContact O-CB 3.33Å; V78-S82 PolarHBondContact O-N 3.49Å; V78-S82 PolarHBondContact O-OG 2.66Å; V78-S82 VanDerWaalsContact O-OG 3.11Å
79Y95.7Very high95.8Very high81 Ų8137.8 Ų37.832%0.31820%0.198SC..Hα-helixtrans-62-47.6177.8-76.2-70.1000111.3K34 A35 T38 T75 N76 S82 A83K34-Y79 HydrophobicContact CB-CD2 3.91Å; K34-Y79 HydrophobicContact CB-CE2 3.71Å; K34-Y79 HydrophobicContact CB-CG 4.5Å; K34-Y79 HydrophobicContact CD-CD2 4.36Å; K34-Y79 HydrophobicContact CD-CE2 4.18Å; A35-Y79 HydrophobicContact CB-CE1 4.22Å; T38-Y79 HydrophobicContact CG2-CD1 4.1Å; T38-Y79 WeakPolarHBondContact OG1-CB 3.43Å; T38-Y79 VanDerWaalsContact OG1-CD1 3.23Å; T38-Y79 WeakPolarHBondContact OG1-CD1 3.42Å; T75-Y79 WeakPolarHBondContact OG1-CB 3.25Å; N76-Y79 PolarHBondContact O-N 3.18Å; N76-Y79 WeakPolarHBondContact OD1-CD2 3.46Å; N76-Y79 PolarHBondContact OD1-N 3.05Å; Y79-S82 PolarHBondContact O-N 3.22Å; Y79-S82 PolarHBondContact O-OG 2.93Å; Y79-A83 PolarHBondContact O-N 2.9Å
80T96.9Very high95.8Very high0 Ų039.6 Ų39.60%021%0.209CC..Hα-helixtrans-58.5-52.1178.5-50.60000111.5L71 G72 T75 N76 S82 A83 T84 A109L71-T80 HydrophobicContact CB-CG2 3.98Å; L71-T80 WeakPolarHBondContact CB-OG1 3.45Å; L71-T80 PolarHBondContact O-OG1 2.95Å; G72-T80 PolarHBondContact N-OG1 2.76Å; T75-T80 PolarHBondContact OG1-OG1 3.13Å; N76-T80 PolarHBondContact O-N 3.25Å; N76-T80 PolarHBondContact O-OG1 3.05Å; N76-T80 VanDerWaalsContact O-OG1 3.09Å; T80-S82 PolarHBondContact O-N 2.99Å; T80-A83 PolarHBondContact O-N 2.89Å; T80-T84 WeakPolarHBondContact O-CB 3.48Å; T80-T84 PolarHBondContact O-N 2.95Å; T80-T84 PolarHBondContact O-OG1 2.86Å; T80-A109 HydrophobicContact CG2-CB 3.97Å
81L97.5Very high95.8Very high47 Ų4739.6 Ų39.625%0.24621%0.209CC..Hα-helixtrans-64.7-40.2-179.1-71.7177.4000112.4M77 A83 T84 V85 I106 A109 A110M77-L81 HydrophobicContact CE-CD1 3.99Å; M77-L81 HydrophobicContact CG-CD1 3.74Å; M77-L81 HydrophobicContact CG-CG 4.15Å; M77-L81 VanDerWaalsContact O-CB 3.29Å; M77-L81 WeakPolarHBondContact O-CB 3.49Å; M77-L81 VanDerWaalsContact O-CG 3.26Å; M77-L81 WeakPolarHBondContact O-CG 3.37Å; M77-L81 PolarHBondContact O-N 2.89Å; L81-A83 PolarHBondContact O-N 3.35Å; L81-T84 PolarHBondContact O-N 2.86Å; L81-V85 WeakPolarHBondContact O-CB 3.47Å; L81-V85 VanDerWaalsContact O-CG2 3.29Å; L81-V85 WeakPolarHBondContact O-CG2 3.45Å; L81-V85 PolarHBondContact O-N 2.9Å; L81-I106 HydrophobicContact CD2-CG2 4.37Å; L81-A109 HydrophobicContact CD2-CB 4.11Å; L81-A110 HydrophobicContact CD2-CB 4.25Å
82S96.9Very high95.8Very high54 Ų5442 Ų4238%0.37822%0.222SC..Hα-helixtrans-60.8-45.3178.167.20000112.1V78 Y79 T80 V85 I86V78-S82 VanDerWaalsContact O-CB 3.28Å; V78-S82 WeakPolarHBondContact O-CB 3.33Å; V78-S82 PolarHBondContact O-N 3.49Å; V78-S82 PolarHBondContact O-OG 2.66Å; V78-S82 VanDerWaalsContact O-OG 3.11Å; Y79-S82 PolarHBondContact O-N 3.22Å; Y79-S82 PolarHBondContact O-OG 2.93Å; T80-S82 PolarHBondContact O-N 2.99Å; S82-V85 PolarHBondContact O-N 3.02Å; S82-I86 WeakPolarHBondContact O-CG1 3.39Å; S82-I86 PolarHBondContact O-N 3.26Å
83A97.4Very high95.9Very high0 Ų047.4 Ų47.40%026%0.255CS..Hα-helixtrans-62.2-45.7174.200000111.6T38 T42 L68 L71 Y79 T80 L81 V85 I86 V87T38-A83 HydrophobicContact CG2-CB 3.93Å; T42-A83 WeakPolarHBondContact OG1-CB 3.48Å; L68-A83 HydrophobicContact CD2-CB 4.27Å; L71-A83 HydrophobicContact CD1-CB 3.36Å; Y79-A83 PolarHBondContact O-N 2.9Å; T80-A83 PolarHBondContact O-N 2.89Å; L81-A83 PolarHBondContact O-N 3.35Å; A83-V85 PolarHBondContact O-N 2.81Å; A83-I86 WeakPolarHBondContact O-CB 3.26Å; A83-I86 PolarHBondContact O-N 2.81Å; A83-V87 WeakPolarHBondContact O-CG2 3.5Å; A83-V87 PolarHBondContact O-N 3.45Å
84T98Very high96Very high0 Ų050.3 Ų50.30%028%0.276CS..Hα-helixtrans-64.2-38.1-179.8-570000112.8L68 T80 L81 I86 V87 A88 L105 I106 A109L68-T84 HydrophobicContact CD1-CG2 4.04Å; T80-T84 WeakPolarHBondContact O-CB 3.48Å; T80-T84 PolarHBondContact O-N 2.95Å; T80-T84 PolarHBondContact O-OG1 2.86Å; L81-T84 PolarHBondContact O-N 2.86Å; T84-I86 VanDerWaalsContact C-N 3.33Å; T84-I86 PolarHBondContact O-N 2.86Å; T84-V87 PolarHBondContact O-N 3.36Å; T84-A88 WeakPolarHBondContact O-CB 3.48Å; T84-A88 PolarHBondContact O-N 2.95Å; T84-L105 HydrophobicContact CG2-CB 3.88Å; T84-L105 WeakPolarHBondContact CG2-O 3.43Å; T84-I106 HydrophobicContact CG2-CG1 4.1Å; T84-A109 HydrophobicContact CG2-CB 3.7Å; T84-A109 WeakPolarHBondContact OG1-CB 3.22Å
85V97.9Very high96Very high64 Ų6451.3 Ų51.339%0.38828%0.281SS..Hα-helixtrans-62.2-42.9175.2167.80000110.5L81 S82 A83 A88 I89 I106L81-V85 WeakPolarHBondContact O-CB 3.47Å; L81-V85 VanDerWaalsContact O-CG2 3.29Å; L81-V85 WeakPolarHBondContact O-CG2 3.45Å; L81-V85 PolarHBondContact O-N 2.9Å; S82-V85 PolarHBondContact O-N 3.02Å; A83-V85 PolarHBondContact O-N 2.81Å; V85-A88 PolarHBondContact O-N 2.95Å; V85-I89 HydrophobicContact CG1-CD1 3.76Å; V85-I89 HydrophobicContact CG1-CG1 4.45Å; V85-I89 WeakPolarHBondContact O-CB 3.08Å; V85-I89 VanDerWaalsContact O-CG1 3.24Å; V85-I89 WeakPolarHBondContact O-CG1 3.47Å; V85-I89 PolarHBondContact O-N 2.65Å; V85-I106 HydrophobicContact CG2-CD1 4.46Å
86I97.9Very high96Very high89 Ų8957.9 Ų57.946%0.45632%0.315SS..Hα-helixtrans-60.7-50.4176-65.5165.7000110.4T42 S82 A83 T84 A88 I89 V90T42-I86 HydrophobicContact CG2-CB 4.42Å; T42-I86 HydrophobicContact CG2-CG2 4.13Å; S82-I86 WeakPolarHBondContact O-CG1 3.39Å; S82-I86 PolarHBondContact O-N 3.26Å; A83-I86 WeakPolarHBondContact O-CB 3.26Å; A83-I86 PolarHBondContact O-N 2.81Å; T84-I86 VanDerWaalsContact C-N 3.33Å; T84-I86 PolarHBondContact O-N 2.86Å; I86-A88 PolarHBondContact O-N 2.66Å; I86-I89 PolarHBondContact O-N 3.22Å; I86-V90 WeakPolarHBondContact O-CG2 3.27Å; I86-V90 PolarHBondContact O-N 2.91Å
87V97.8Very high96Very high0 Ų056.9 Ų56.90%031%0.31CS..Hα-helixtrans-59.7-47.2178.5174.80000110.8T42 S45 L46 L68 A83 T84 I89 V90 E91 L105T42-V87 HydrophobicContact CG2-CG2 4.13Å; S45-V87 WeakPolarHBondContact OG-CG1 3.44Å; L46-V87 HydrophobicContact CD2-CB 4.41Å; L46-V87 HydrophobicContact CD2-CG2 4.09Å; L46-V87 HydrophobicContact CG-CG2 4.28Å; L68-V87 HydrophobicContact CD2-CG2 4.42Å; A83-V87 WeakPolarHBondContact O-CG2 3.5Å; A83-V87 PolarHBondContact O-N 3.45Å; T84-V87 PolarHBondContact O-N 3.36Å; V87-I89 VanDerWaalsContact C-N 3.34Å; V87-I89 PolarHBondContact O-N 3.05Å; V87-V90 PolarHBondContact O-N 3.4Å; V87-E91 HydrophobicContact CG1-CG 4.11Å; V87-E91 WeakPolarHBondContact O-CB 3.38Å; V87-E91 WeakPolarHBondContact O-CG 3.29Å; V87-E91 PolarHBondContact O-N 3.08Å; V87-L105 HydrophobicContact CG1-CD1 4.1Å
88A97.5Very high95.9Very high5 Ų555 Ų554%0.04131%0.306CS..Hα-helixtrans-60.6-40.7179.600000112.5T84 V85 I86 E91 I92T84-A88 WeakPolarHBondContact O-CB 3.48Å; T84-A88 PolarHBondContact O-N 2.95Å; V85-A88 PolarHBondContact O-N 2.95Å; I86-A88 PolarHBondContact O-N 2.66Å; A88-E91 PolarHBondContact O-N 2.81Å; A88-I92 WeakPolarHBondContact O-CD1 3.35Å; A88-I92 VanDerWaalsContact O-CG1 3.25Å; A88-I92 WeakPolarHBondContact O-CG1 3.21Å; A88-I92 PolarHBondContact O-N 2.82Å; A88-I92 VanDerWaalsContact O-N 3.08Å
89I97.7Very high95.7Very high97 Ų9756 Ų5650%0.49731%0.306SS..Hα-helixtrans-63.8-46.2176.1-70.7166.6000110.7V85 I86 V87 E91 I92 V93V85-I89 HydrophobicContact CG1-CD1 3.76Å; V85-I89 HydrophobicContact CG1-CG1 4.45Å; V85-I89 WeakPolarHBondContact O-CB 3.08Å; V85-I89 VanDerWaalsContact O-CG1 3.24Å; V85-I89 WeakPolarHBondContact O-CG1 3.47Å; V85-I89 PolarHBondContact O-N 2.65Å; I86-I89 PolarHBondContact O-N 3.22Å; V87-I89 VanDerWaalsContact C-N 3.34Å; V87-I89 PolarHBondContact O-N 3.05Å; I89-E91 VanDerWaalsContact C-N 3.34Å; I89-E91 PolarHBondContact O-N 2.89Å; I89-I92 PolarHBondContact O-N 2.69Å; I89-V93 HydrophobicContact CG2-CG2 4.25Å; I89-V93 WeakPolarHBondContact O-CB 3.43Å; I89-V93 WeakPolarHBondContact O-CG2 3.36Å; I89-V93 PolarHBondContact O-N 3Å
90V97Very high95.5Very high38 Ų3856.7 Ų56.723%0.2331%0.313CS..Hα-helixtrans-64.5-40.9179.6175.80000110.9L46 I86 V87 I92 V93 V94 F95L46-V90 HydrophobicContact CD2-CB 3.68Å; L46-V90 HydrophobicContact CD2-CG1 3.76Å; L46-V90 HydrophobicContact CD2-CG2 3.93Å; I86-V90 WeakPolarHBondContact O-CG2 3.27Å; I86-V90 PolarHBondContact O-N 2.91Å; V87-V90 PolarHBondContact O-N 3.4Å; V90-I92 VanDerWaalsContact C-N 3.34Å; V90-I92 PolarHBondContact O-N 2.82Å; V90-V93 PolarHBondContact O-N 2.84Å; V90-V94 HydrophobicContact CG1-CB 4.02Å; V90-V94 HydrophobicContact CG1-CG2 3.95Å; V90-V94 WeakPolarHBondContact O-CA 3.49Å; V90-V94 VanDerWaalsContact O-CB 3.25Å; V90-V94 WeakPolarHBondContact O-CB 3.44Å; V90-V94 PolarHBondContact O-N 2.88Å; V90-F95 HydrophobicContact CG1-CD2 4.12Å; V90-F95 HydrophobicContact CG1-CE2 3.85Å; V90-F95 PolarHBondContact O-N 3.49Å
91E95.2Very high95.3Very high0 Ų057 Ų570%032%0.315CS..Hα-helixtrans-58.5-44.6175.9-72.3-77-168.100112.2S49 T64 V87 A88 I89 F95 N96 N97 Y101S49-E91 WeakPolarHBondContact CB-OE1 3.35Å; S49-E91 PolarHBondContact OG-OE1 3.17Å; T64-E91 VanDerWaalsContact CG2-OE1 3.28Å; T64-E91 WeakPolarHBondContact CG2-OE1 3.41Å; V87-E91 HydrophobicContact CG1-CG 4.11Å; V87-E91 WeakPolarHBondContact O-CB 3.38Å; V87-E91 WeakPolarHBondContact O-CG 3.29Å; V87-E91 PolarHBondContact O-N 3.08Å; A88-E91 PolarHBondContact O-N 2.81Å; I89-E91 VanDerWaalsContact C-N 3.34Å; I89-E91 PolarHBondContact O-N 2.89Å; E91-F95 CarbonylContact O-C 3.34Å; E91-F95 WeakPolarHBondContact O-CA 3.43Å; E91-F95 WeakPolarHBondContact O-CB 3.43Å; E91-F95 PolarHBondContact O-N 3.13Å; E91-N96 PolarHBondContact O-N 3.34Å; E91-N96 VanDerWaalsContact O-N 3.16Å; E91-N97 HydrophobicContact CB-CB 4.34Å; E91-N97 WeakPolarHBondContact O-CB 3.48Å; E91-N97 PolarHBondContact O-N 3.48Å; E91-N97 PolarHBondContact OE2-ND2 3.37Å; E91-Y101 HydrophobicContact CB-CD1 4.14Å; E91-Y101 HydrophobicContact CB-CE1 3.89Å; E91-Y101 HydrophobicContact CG-CE1 3.79Å
92I95.4Very high95.1Very high50 Ų5054.8 Ų54.826%0.25630%0.303SS..Hα-helixtrans-72.7-46.8-179.6-65.4163.7000111.4A88 I89 V90 N96A88-I92 WeakPolarHBondContact O-CD1 3.35Å; A88-I92 VanDerWaalsContact O-CG1 3.25Å; A88-I92 WeakPolarHBondContact O-CG1 3.21Å; A88-I92 PolarHBondContact O-N 2.82Å; A88-I92 VanDerWaalsContact O-N 3.08Å; I89-I92 PolarHBondContact O-N 2.69Å; V90-I92 VanDerWaalsContact C-N 3.34Å; V90-I92 PolarHBondContact O-N 2.82Å; I92-N96 WeakPolarHBondContact O-CA 3.43Å; I92-N96 PolarHBondContact O-N 3.14Å
93V96.4Very high95Very high114 Ų11455.5 Ų55.569%0.69131%0.305SS*.Hα-helixtrans-83.7-41-169.9176.40000112.5I89 V90I89-V93 HydrophobicContact CG2-CG2 4.25Å; I89-V93 WeakPolarHBondContact O-CB 3.43Å; I89-V93 WeakPolarHBondContact O-CG2 3.36Å; I89-V93 PolarHBondContact O-N 3Å; V90-V93 PolarHBondContact O-N 2.84Å
94V95.4Very high94.9Very high101 Ų10155.8 Ų55.861%0.61231%0.307SS*.THydrogen-bonded Turntrans-94.8-44.3-173.6-177.40000111V90V90-V94 HydrophobicContact CG1-CB 4.02Å; V90-V94 HydrophobicContact CG1-CG2 3.95Å; V90-V94 WeakPolarHBondContact O-CA 3.49Å; V90-V94 VanDerWaalsContact O-CB 3.25Å; V90-V94 WeakPolarHBondContact O-CB 3.44Å; V90-V94 PolarHBondContact O-N 2.88Å
95F93Very high94.8Very high72 Ų7256 Ų5632%0.31631%0.308SS..SBendtrans-95.22.4-178.1-61.2-71.4000113.6V50 V90 E91 N97V50-F95 HydrophobicContact CG2-CZ 4Å; V90-F95 HydrophobicContact CG1-CD2 4.12Å; V90-F95 HydrophobicContact CG1-CE2 3.85Å; V90-F95 PolarHBondContact O-N 3.49Å; E91-F95 CarbonylContact O-C 3.34Å; E91-F95 WeakPolarHBondContact O-CA 3.43Å; E91-F95 WeakPolarHBondContact O-CB 3.43Å; E91-F95 PolarHBondContact O-N 3.13Å; F95-N97 PolarHBondContact O-N 2.99Å
96N91.6Very high94.8Very high148 Ų14856 Ų5679%0.79131%0.306SS*.  trans55.832.2176.5-163.746.4000113.7E91 I92E91-N96 PolarHBondContact O-N 3.34Å; E91-N96 VanDerWaalsContact O-N 3.16Å; I92-N96 WeakPolarHBondContact O-CA 3.43Å; I92-N96 PolarHBondContact O-N 3.14Å
97N90.8Very high94.7Very high36 Ų3655 Ų5519%0.19330%0.303CS..  trans-74.1155.1173.5-83.3-52000111.6H62 E91 F95 Y101H62-N97 PolarHBondContact CE1-ND2 3.22Å; E91-N97 HydrophobicContact CB-CB 4.34Å; E91-N97 WeakPolarHBondContact O-CB 3.48Å; E91-N97 PolarHBondContact O-N 3.48Å; E91-N97 PolarHBondContact OE2-ND2 3.37Å; F95-N97 PolarHBondContact O-N 2.99Å; N97-Y101 HydrophobicContact CB-CD1 3.99Å; N97-Y101 HydrophobicContact CB-CG 4.2Å
98S91.6Very high94.7Very high51 Ų5155.1 Ų55.136%0.35730%0.304SS..  trans-64.1150.8-178.6740000112.4M100 Y101 G102S98-M100 PolarHBondContact O-N 3.38Å; S98-Y101 VanDerWaalsContact O-CB 3.26Å; S98-Y101 WeakPolarHBondContact O-CB 3.21Å; S98-Y101 PolarHBondContact O-N 3.33Å; S98-Y101 PolarHBondContact OG-N 3.38Å; S98-Y101 VanDerWaalsContact OG-N 3.15Å; S98-G102 PolarHBondContact O-N 3.11Å
99I92.1Very high94.7Very high128 Ų12855 Ų5566%0.65630%0.302SS*.Hα-helixtrans-55.1-38.2174.5-64.6172.9000110.9Y101 G102 V103I99-Y101 VanDerWaalsContact C-N 3.3Å; I99-Y101 PolarHBondContact O-N 3.23Å; I99-G102 PolarHBondContact O-N 2.85Å; I99-G102 VanDerWaalsContact O-N 3.15Å; I99-V103 HydrophobicContact CG2-CG2 4.39Å; I99-V103 WeakPolarHBondContact O-CG2 3.44Å; I99-V103 PolarHBondContact O-N 2.99Å
100M91.8Very high94.7Very high96 Ų9651.7 Ų51.747%0.47329%0.29SS..Hα-helixtrans-68.2-27.7-179.7-174.471.475.100112.8S98 V103 T104 I147S98-M100 PolarHBondContact O-N 3.38Å; M100-V103 PolarHBondContact O-N 2.89Å; M100-T104 WeakPolarHBondContact O-CB 3.48Å; M100-T104 PolarHBondContact O-N 2.85Å; M100-T104 PolarHBondContact O-OG1 3.46Å; M100-I147 HydrophobicContact CB-CD1 3.26Å; M100-I147 HydrophobicContact CG-CD1 3.15Å
101Y91.8Very high94.7Very high6 Ų652.1 Ų52.12%0.02429%0.293CS..Hα-helixtrans-61.5-48.7168.4176.1-87.6000110.9H62 T64 E91 N97 S98 I99 V103 T104 L105 Y148H62-Y101 HydrophobicContact CB-CE2 4.01Å; H62-Y101 WeakPolarHBondContact CB-OH 3.46Å; T64-Y101 PolarHBondContact OG1-OH 3.35Å; E91-Y101 HydrophobicContact CB-CD1 4.14Å; E91-Y101 HydrophobicContact CB-CE1 3.89Å; E91-Y101 HydrophobicContact CG-CE1 3.79Å; N97-Y101 HydrophobicContact CB-CD1 3.99Å; N97-Y101 HydrophobicContact CB-CG 4.2Å; S98-Y101 VanDerWaalsContact O-CB 3.26Å; S98-Y101 WeakPolarHBondContact O-CB 3.21Å; S98-Y101 PolarHBondContact O-N 3.33Å; S98-Y101 PolarHBondContact OG-N 3.38Å; S98-Y101 VanDerWaalsContact OG-N 3.15Å; I99-Y101 VanDerWaalsContact C-N 3.3Å; I99-Y101 PolarHBondContact O-N 3.23Å; Y101-V103 PolarHBondContact O-N 2.8Å; Y101-T104 WeakPolarHBondContact O-CB 3.42Å; Y101-T104 PolarHBondContact O-N 3.01Å; Y101-T104 VanDerWaalsContact O-N 3.11Å; Y101-L105 HydrophobicContact CD1-CD1 4.15Å; Y101-L105 HydrophobicContact CD1-CG 4.46Å; Y101-L105 HydrophobicContact CE1-CD1 3.48Å; Y101-L105 VanDerWaalsContact CE1-CD1 3.48Å; Y101-L105 HydrophobicContact CE1-CG 3.99Å; Y101-L105 PolarHBondContact O-N 3.46Å; Y101-Y148 WeakPolarHBondContact CD2-OH 3.36Å; Y101-Y148 WeakPolarHBondContact CE2-OH 3.46Å
102G94.5Very high94.7Very high1 Ų152.2 Ų52.21%0.0129%0.293CS..Hα-helixtrans-61.4-41.3176.400000112.9S98 I99 T104 L105 I106S98-G102 PolarHBondContact O-N 3.11Å; I99-G102 PolarHBondContact O-N 2.85Å; I99-G102 VanDerWaalsContact O-N 3.15Å; G102-T104 VanDerWaalsContact C-N 3.31Å; G102-T104 PolarHBondContact O-N 3.49Å; G102-L105 PolarHBondContact O-N 3.4Å; G102-I106 WeakPolarHBondContact O-CG1 3.14Å; G102-I106 PolarHBondContact O-N 2.99Å; G102-I106 VanDerWaalsContact O-N 3.09Å
103V94.9Very high94.7Very high69 Ų6950 Ų5042%0.41828%0.282SS..Hα-helixtrans-60.4-41.7173.2173.90000111.1I99 M100 Y101 L105 I106 V107I99-V103 HydrophobicContact CG2-CG2 4.39Å; I99-V103 WeakPolarHBondContact O-CG2 3.44Å; I99-V103 PolarHBondContact O-N 2.99Å; M100-V103 PolarHBondContact O-N 2.89Å; Y101-V103 PolarHBondContact O-N 2.8Å; V103-L105 PolarHBondContact O-N 2.87Å; V103-I106 PolarHBondContact O-N 2.93Å; V103-V107 HydrophobicContact CG1-CG2 4.44Å; V103-V107 WeakPolarHBondContact O-CG2 3.45Å; V103-V107 PolarHBondContact O-N 3.07Å
104T94.4Very high94.7Very high6 Ų647.1 Ų47.14%0.03727%0.27CS..Hα-helixtrans-62.2-43.4178.1-57.80000111.5M100 Y101 G102 I106 V107 I108 L138 V141 Y148M100-T104 WeakPolarHBondContact O-CB 3.48Å; M100-T104 PolarHBondContact O-N 2.85Å; M100-T104 PolarHBondContact O-OG1 3.46Å; Y101-T104 WeakPolarHBondContact O-CB 3.42Å; Y101-T104 PolarHBondContact O-N 3.01Å; Y101-T104 VanDerWaalsContact O-N 3.11Å; G102-T104 VanDerWaalsContact C-N 3.31Å; G102-T104 PolarHBondContact O-N 3.49Å; T104-I106 VanDerWaalsContact C-N 3.33Å; T104-I106 PolarHBondContact O-N 3.28Å; T104-V107 PolarHBondContact O-N 2.96Å; T104-I108 HydrophobicContact CG2-CD1 3.94Å; T104-I108 VanDerWaalsContact O-CG1 3.28Å; T104-I108 WeakPolarHBondContact O-CG1 3.35Å; T104-I108 PolarHBondContact O-N 2.99Å; T104-L138 HydrophobicContact CG2-CD2 3.68Å; T104-V141 HydrophobicContact CG2-CG2 4.19Å; T104-Y148 HydrophobicContact CG2-CE2 4.4Å
105L96.4Very high94.7Very high5 Ų545.4 Ų45.43%0.02626%0.257CS..Hα-helixtrans-58.6-44.1173.5-74.1-178.8000111.9F65 T84 V87 Y101 G102 V103 V107 I108 A109F65-L105 HydrophobicContact CB-CD2 3.91Å; T84-L105 HydrophobicContact CG2-CB 3.88Å; T84-L105 WeakPolarHBondContact CG2-O 3.43Å; V87-L105 HydrophobicContact CG1-CD1 4.1Å; Y101-L105 HydrophobicContact CD1-CD1 4.15Å; Y101-L105 HydrophobicContact CD1-CG 4.46Å; Y101-L105 HydrophobicContact CE1-CD1 3.48Å; Y101-L105 VanDerWaalsContact CE1-CD1 3.48Å; Y101-L105 HydrophobicContact CE1-CG 3.99Å; Y101-L105 PolarHBondContact O-N 3.46Å; G102-L105 PolarHBondContact O-N 3.4Å; V103-L105 PolarHBondContact O-N 2.87Å; L105-V107 PolarHBondContact O-N 2.86Å; L105-I108 PolarHBondContact O-N 3.23Å; L105-A109 WeakPolarHBondContact O-CB 2.99Å; L105-A109 PolarHBondContact O-N 2.92Å
106I97.2Very high94.7Very high65 Ų6542 Ų4233%0.33324%0.242SC..Hα-helixtrans-63.1-41.6178.4-66.5167.3000111.1L81 T84 V85 G102 V103 T104 A109 A110L81-I106 HydrophobicContact CD2-CG2 4.37Å; T84-I106 HydrophobicContact CG2-CG1 4.1Å; V85-I106 HydrophobicContact CG2-CD1 4.46Å; G102-I106 WeakPolarHBondContact O-CG1 3.14Å; G102-I106 PolarHBondContact O-N 2.99Å; G102-I106 VanDerWaalsContact O-N 3.09Å; V103-I106 PolarHBondContact O-N 2.93Å; T104-I106 VanDerWaalsContact C-N 3.33Å; T104-I106 PolarHBondContact O-N 3.28Å; I106-A109 PolarHBondContact O-N 2.98Å; I106-A110 WeakPolarHBondContact O-CB 3.45Å; I106-A110 PolarHBondContact O-N 2.88Å
107V96.7Very high94.8Very high66 Ų6637.9 Ų37.940%0.422%0.223SC..Hα-helixtrans-63-47175.6172.20000110.8V103 T104 L105 A109 A110 V111 I137V103-V107 HydrophobicContact CG1-CG2 4.44Å; V103-V107 WeakPolarHBondContact O-CG2 3.45Å; V103-V107 PolarHBondContact O-N 3.07Å; T104-V107 PolarHBondContact O-N 2.96Å; L105-V107 PolarHBondContact O-N 2.86Å; V107-A109 VanDerWaalsContact C-N 3.32Å; V107-A109 PolarHBondContact O-N 3.45Å; V107-A110 PolarHBondContact O-N 3.15Å; V107-V111 HydrophobicContact CG1-CG2 4.4Å; V107-V111 WeakPolarHBondContact O-CG2 3.49Å; V107-V111 PolarHBondContact O-N 3.46Å; V107-I137 HydrophobicContact CG1-CG2 4.27Å
108I97Very high94.9Very high4 Ų444.1 Ų44.12%0.02125%0.249CC..Hα-helixtrans-57-48.2176.2-69.3162.4000110.2L69 T104 L105 A110 V111 T112 T134 I137 L138L69-I108 HydrophobicContact CD2-CG2 4.41Å; T104-I108 HydrophobicContact CG2-CD1 3.94Å; T104-I108 VanDerWaalsContact O-CG1 3.28Å; T104-I108 WeakPolarHBondContact O-CG1 3.35Å; T104-I108 PolarHBondContact O-N 2.99Å; L105-I108 PolarHBondContact O-N 3.23Å; I108-A110 PolarHBondContact O-N 3.27Å; I108-V111 PolarHBondContact O-N 3.34Å; I108-T112 HydrophobicContact CG2-CG2 4.09Å; I108-T112 VanDerWaalsContact O-CB 3.3Å; I108-T112 WeakPolarHBondContact O-CB 3.27Å; I108-T112 WeakPolarHBondContact O-CG2 3.49Å; I108-T112 PolarHBondContact O-N 3.26Å; I108-T112 PolarHBondContact O-OG1 3.26Å; I108-T134 HydrophobicContact CB-CG2 4.46Å; I108-T134 HydrophobicContact CD1-CG2 3.66Å; I108-T134 HydrophobicContact CG1-CG2 3.93Å; I108-T134 HydrophobicContact CG2-CG2 3.66Å; I108-I137 HydrophobicContact CG1-CB 4.46Å; I108-I137 HydrophobicContact CG1-CD1 4.31Å; I108-I137 HydrophobicContact CG1-CG2 4.04Å; I108-L138 HydrophobicContact CD1-CD2 3.99Å; I108-L138 HydrophobicContact CD1-CG 4.26Å
109A97.4Very high95Very high1 Ų143 Ų431%0.00824%0.239CC..Hα-helixtrans-61.3-43.1178.600000112.8T80 L81 T84 L105 I106 V107 T112 S113T80-A109 HydrophobicContact CG2-CB 3.97Å; L81-A109 HydrophobicContact CD2-CB 4.11Å; T84-A109 HydrophobicContact CG2-CB 3.7Å; T84-A109 WeakPolarHBondContact OG1-CB 3.22Å; L105-A109 WeakPolarHBondContact O-CB 2.99Å; L105-A109 PolarHBondContact O-N 2.92Å; I106-A109 PolarHBondContact O-N 2.98Å; V107-A109 VanDerWaalsContact C-N 3.32Å; V107-A109 PolarHBondContact O-N 3.45Å; A109-T112 PolarHBondContact O-OG1 2.96Å; A109-S113 VanDerWaalsContact O-CB 3.22Å; A109-S113 WeakPolarHBondContact O-CB 3.3Å; A109-S113 PolarHBondContact O-N 3.32Å; A109-S113 PolarHBondContact O-OG 3.46Å
110A97.4Very high95Very high28 Ų2846.7 Ų46.723%0.23125%0.25CS..Hα-helixtrans-62.7-47.7177.400000111.5M77 L81 I106 V107 I108 S113 A114M77-A110 HydrophobicContact CE-CB 4.18Å; L81-A110 HydrophobicContact CD2-CB 4.25Å; I106-A110 WeakPolarHBondContact O-CB 3.45Å; I106-A110 PolarHBondContact O-N 2.88Å; V107-A110 PolarHBondContact O-N 3.15Å; I108-A110 PolarHBondContact O-N 3.27Å; A110-S113 PolarHBondContact O-OG 2.77Å; A110-A114 VanDerWaalsContact O-CB 3.3Å; A110-A114 WeakPolarHBondContact O-CB 3.41Å; A110-A114 PolarHBondContact O-N 3.45Å
111V97.2Very high95.1Very high48 Ų4845.8 Ų45.829%0.29125%0.245SC..Hα-helixtrans-67.5-47.6-179.4175.10000111.1V107 I108 S113 A114 I115 V133 I137V107-V111 HydrophobicContact CG1-CG2 4.4Å; V107-V111 WeakPolarHBondContact O-CG2 3.49Å; V107-V111 PolarHBondContact O-N 3.46Å; I108-V111 PolarHBondContact O-N 3.34Å; V111-S113 PolarHBondContact O-N 3.46Å; V111-A114 PolarHBondContact O-N 2.93Å; V111-I115 HydrophobicContact CG1-CD1 3.66Å; V111-I115 WeakPolarHBondContact O-CG1 3.31Å; V111-I115 PolarHBondContact O-N 3.15Å; V111-V133 HydrophobicContact CG1-CG1 3.82Å; V111-I137 HydrophobicContact CB-CD1 3.96Å; V111-I137 HydrophobicContact CG1-CD1 4.01Å; V111-I137 HydrophobicContact CG2-CD1 4.11Å
112T95.9Very high95.2Very high1 Ų150.7 Ų50.71%0.00627%0.271CS..Hα-helixtrans-69.2-32.8-176.656.60000112.5L69 I108 A109 G116 L130L69-T112 HydrophobicContact CD2-CG2 3.71Å; I108-T112 HydrophobicContact CG2-CG2 4.09Å; I108-T112 VanDerWaalsContact O-CB 3.3Å; I108-T112 WeakPolarHBondContact O-CB 3.27Å; I108-T112 WeakPolarHBondContact O-CG2 3.49Å; I108-T112 PolarHBondContact O-N 3.26Å; I108-T112 PolarHBondContact O-OG1 3.26Å; A109-T112 PolarHBondContact O-OG1 2.96Å; T112-G116 WeakPolarHBondContact O-CA 3.09Å; T112-G116 PolarHBondContact O-N 2.95Å; T112-L130 HydrophobicContact CG2-CB 4.35Å; T112-L130 HydrophobicContact CG2-CD2 4.23Å
113S95.8Very high95.1Very high5 Ų553.3 Ų53.34%0.03529%0.285CS..Hα-helixtrans-76.2-24.4172.462.60000114A109 A110 V111 P117A109-S113 VanDerWaalsContact O-CB 3.22Å; A109-S113 WeakPolarHBondContact O-CB 3.3Å; A109-S113 PolarHBondContact O-N 3.32Å; A109-S113 PolarHBondContact O-OG 3.46Å; A110-S113 PolarHBondContact O-OG 2.77Å; V111-S113 PolarHBondContact O-N 3.46Å; S113-P117 WeakPolarHBondContact O-CD 3.15Å
114A96.1Very high95.2Very high53 Ų5351.5 Ų51.544%0.43827%0.274SS..Hα-helixtrans-74.8-32.3171.700000112.5A110 V111 F118A110-A114 VanDerWaalsContact O-CB 3.3Å; A110-A114 WeakPolarHBondContact O-CB 3.41Å; A110-A114 PolarHBondContact O-N 3.45Å; V111-A114 PolarHBondContact O-N 2.93Å; A114-F118 WeakPolarHBondContact O-CD2 3.38Å; A114-F118 WeakPolarHBondContact O-CE2 3.35Å
115I95.1Very high95.2Very high65 Ų6555.1 Ų55.133%0.33329%0.293SS..Hα-helixtrans-93.2-43.4-178.1-63.3170.8000111.9V111 F118 L119 L130 V133V111-I115 HydrophobicContact CG1-CD1 3.66Å; V111-I115 WeakPolarHBondContact O-CG1 3.31Å; V111-I115 PolarHBondContact O-N 3.15Å; I115-F118 PolarHBondContact O-N 3.3Å; I115-L119 HydrophobicContact CG2-CD1 4.38Å; I115-L119 HydrophobicContact CG2-CD2 4.04Å; I115-L119 HydrophobicContact CG2-CG 4.14Å; I115-L119 PolarHBondContact O-N 2.87Å; I115-L130 HydrophobicContact CB-CD2 4.27Å; I115-L130 HydrophobicContact CG2-CD2 4.2Å; I115-V133 HydrophobicContact CD1-CG1 4.28Å
116G93.4Very high95.2Very high0 Ų054.9 Ų54.90%029%0.291CS..G310 helixtrans-53.1-45.1-167.400000115.9R73 T112 F118 L119R73-G116 WeakPolarHBondContact CD-O 3.38Å; R73-G116 PolarHBondContact NH1-O 3.38Å; T112-G116 WeakPolarHBondContact O-CA 3.09Å; T112-G116 PolarHBondContact O-N 2.95Å; G116-F118 PolarHBondContact O-N 3.18Å; G116-L119 PolarHBondContact O-N 3.26Å
117P92.7Very high95.2Very high61 Ų6151.8 Ų51.840%0.39628%0.276SS..G310 helixtrans-67.5-20.2179.3-23.336.2000114G72 S113G72-P117 WeakPolarHBondContact O-CD 3.21Å; S113-P117 WeakPolarHBondContact O-CD 3.15Å
118F93.7Very high95.3Very high168 Ų16850.6 Ų50.674%0.73727%0.267SS*.G310 helixtrans-97.4-5.2-176.5-58.3-79.2000113.7A114 I115 G116 K120A114-F118 WeakPolarHBondContact O-CD2 3.38Å; A114-F118 WeakPolarHBondContact O-CE2 3.35Å; I115-F118 PolarHBondContact O-N 3.3Å; G116-F118 PolarHBondContact O-N 3.18Å; F118-K120 PolarHBondContact O-N 2.71Å
119L93.9Very high95.3Very high28 Ų2852.9 Ų52.915%0.14728%0.279CS..  trans-67.6123.6172.8-65.9176.1000109.9R73 I115 G116 I129 L130R73-L119 PolarHBondContact NH1-O 3Å; I115-L119 HydrophobicContact CG2-CD1 4.38Å; I115-L119 HydrophobicContact CG2-CD2 4.04Å; I115-L119 HydrophobicContact CG2-CG 4.14Å; I115-L119 PolarHBondContact O-N 2.87Å; G116-L119 PolarHBondContact O-N 3.26Å; L119-I129 HydrophobicContact CD1-CB 4.24Å; L119-I129 HydrophobicContact CD1-CG2 4.08Å; L119-I129 HydrophobicContact CD2-CG2 4.17Å; L119-L130 HydrophobicContact CD1-CD2 4.01Å; L119-L130 HydrophobicContact CD1-CG 3.98Å
120K92.7Very high95.3Very high204 Ų20452.8 Ų52.889%0.88728%0.278SS*.  trans-87.5-6.6-177.8-65.3-176.3179.5179.70113.5F118F118-K120 PolarHBondContact O-N 2.71Å
121Q92.8Very high95.3Very high78 Ų7851.5 Ų51.536%0.36427%0.267SS..SBendtrans-71.2169.5179.9-64.977.31200111R73 L125 S126 I129R73-Q121 PolarHBondContact NH2-O 3.37Å; Q121-L125 HydrophobicContact CB-CB 4.1Å; Q121-L125 HydrophobicContact CB-CD2 3.95Å; Q121-L125 HydrophobicContact CB-CG 4.09Å; Q121-L125 HydrophobicContact CG-CD2 3.72Å; Q121-L125 HydrophobicContact CG-CG 4.14Å; Q121-S126 PolarHBondContact O-OG 2.94Å; Q121-I129 HydrophobicContact CG-CD1 4.11Å
122N93.8Very high95.3Very high108 Ų10852.5 Ų52.558%0.57827%0.273SS*.  trans-61.7164.2168.570.48.2000110.8V124 L125 S126N122-V124 PolarHBondContact O-N 3.23Å; N122-L125 PolarHBondContact O-N 3.38Å; N122-L125 WeakPolarHBondContact OD1-CB 3.09Å; N122-L125 PolarHBondContact OD1-N 2.9Å; N122-S126 WeakPolarHBondContact O-CB 3.47Å; N122-S126 PolarHBondContact O-N 3.44Å; N122-S126 PolarHBondContact O-OG 2.79Å
123D93.3Very high95.3Very high57 Ų5753.9 Ų53.931%0.30528%0.282SS..Hα-helixtrans-66.5-36.9-170.2-66.9-43.7000113.3R73 F74 S126 L127 V172R73-D123 IonicContact CZ-OD1 2.65Å; R73-D123 IonicContact NE-OD1 3.82Å; R73-D123 PolarHBondContact NE-OD1 3.47Å; R73-D123 IonicContact NH2-OD1 2.99Å; R73-D123 PolarHBondContact NH2-OD1 3.11Å; F74-D123 HydrophobicContact CE1-CB 4.03Å; F74-D123 HydrophobicContact CZ-CB 3.81Å; D123-S126 PolarHBondContact O-N 2.65Å; D123-L127 WeakPolarHBondContact O-CG 3.46Å; D123-L127 PolarHBondContact O-N 3.41Å; D123-V172 HydrophobicContact CB-CG2 3.94Å
124V95.6Very high95.4Very high30 Ų3053.7 Ų53.718%0.18228%0.28CS..Hα-helixtrans-62.1-51.6176.4-179.40000110.9N122 S126 L127 L128 L165 A168 V172N122-V124 PolarHBondContact O-N 3.23Å; V124-S126 VanDerWaalsContact C-N 3.29Å; V124-S126 PolarHBondContact O-N 3.16Å; V124-L127 PolarHBondContact O-N 2.8Å; V124-L128 WeakPolarHBondContact O-CG 3.29Å; V124-L128 PolarHBondContact O-N 3.45Å; V124-L128 VanDerWaalsContact O-N 3.08Å; V124-L165 HydrophobicContact CG1-CD1 3.83Å; V124-A168 HydrophobicContact CB-CB 4.46Å; V124-A168 HydrophobicContact CG1-CB 4.18Å; V124-A168 HydrophobicContact CG2-CB 4.33Å; V124-V172 HydrophobicContact CG2-CB 4.4Å; V124-V172 HydrophobicContact CG2-CG2 3.96Å
125L96.1Very high95.4Very high82 Ų8252 Ų5243%0.42926%0.264SS..Hα-helixtrans-65.7-35.2179.9-175.858.4000111.5Q121 N122 L127 L128 I129Q121-L125 HydrophobicContact CB-CB 4.1Å; Q121-L125 HydrophobicContact CB-CD2 3.95Å; Q121-L125 HydrophobicContact CB-CG 4.09Å; Q121-L125 HydrophobicContact CG-CD2 3.72Å; Q121-L125 HydrophobicContact CG-CG 4.14Å; N122-L125 PolarHBondContact O-N 3.38Å; N122-L125 WeakPolarHBondContact OD1-CB 3.09Å; N122-L125 PolarHBondContact OD1-N 2.9Å; L125-L127 PolarHBondContact O-N 3.04Å; L125-L128 PolarHBondContact O-N 3.08Å; L125-I129 HydrophobicContact CG-CD1 4.14Å; L125-I129 VanDerWaalsContact O-CG1 3.27Å; L125-I129 WeakPolarHBondContact O-CG1 3.47Å; L125-I129 PolarHBondContact O-N 2.84Å
126S96.3Very high95.4Very high0 Ų054.3 Ų54.30%028%0.275CS..Hα-helixtrans-60.8-44.4175.2-60.30000111.6Q121 N122 D123 V124 I129 L130Q121-S126 PolarHBondContact O-OG 2.94Å; N122-S126 WeakPolarHBondContact O-CB 3.47Å; N122-S126 PolarHBondContact O-N 3.44Å; N122-S126 PolarHBondContact O-OG 2.79Å; D123-S126 PolarHBondContact O-N 2.65Å; V124-S126 VanDerWaalsContact C-N 3.29Å; V124-S126 PolarHBondContact O-N 3.16Å; S126-I129 PolarHBondContact O-N 2.81Å; S126-L130 WeakPolarHBondContact O-CG 3.31Å; S126-L130 PolarHBondContact O-N 3.5Å
127L96.9Very high95.4Very high0 Ų055.9 Ų55.90%028%0.283CS..Hα-helixtrans-66-37.7176.7-72.5167000112.5L69 F70 R73 F74 D123 V124 L125 L130 N131 T164 A168L69-L127 HydrophobicContact CB-CD2 4.12Å; F70-L127 HydrophobicContact CD1-CD1 3.93Å; F70-L127 HydrophobicContact CD1-CD2 4.4Å; F70-L127 HydrophobicContact CD2-CD2 4.24Å; F70-L127 HydrophobicContact CE1-CD1 3.51Å; F70-L127 HydrophobicContact CE2-CD1 4.35Å; F70-L127 HydrophobicContact CE2-CD2 4.45Å; F70-L127 HydrophobicContact CG-CD1 4.48Å; F70-L127 HydrophobicContact CG-CD2 4.19Å; F70-L127 HydrophobicContact CZ-CD1 3.74Å; R73-L127 HydrophobicContact CB-CD2 4.06Å; F74-L127 HydrophobicContact CE2-CD1 4.17Å; D123-L127 WeakPolarHBondContact O-CG 3.46Å; D123-L127 PolarHBondContact O-N 3.41Å; V124-L127 PolarHBondContact O-N 2.8Å; L125-L127 PolarHBondContact O-N 3.04Å; L127-L130 PolarHBondContact O-N 3.29Å; L127-N131 WeakPolarHBondContact O-CB 3.41Å; L127-N131 PolarHBondContact O-N 2.84Å; L127-T164 HydrophobicContact CB-CG2 4.07Å; L127-A168 HydrophobicContact CB-CB 4.35Å; L127-A168 HydrophobicContact CD1-CB 3.56Å
128L97.5Very high95.5Very high41 Ų4153.2 Ų53.222%0.21527%0.266CS..Hα-helixtrans-63.8-41.6173.6-66.1176.8000111.8V124 L125 N131 V132 L161 T164 L165V124-L128 WeakPolarHBondContact O-CG 3.29Å; V124-L128 PolarHBondContact O-N 3.45Å; V124-L128 VanDerWaalsContact O-N 3.08Å; L125-L128 PolarHBondContact O-N 3.08Å; L128-N131 WeakPolarHBondContact O-CB 3.16Å; L128-N131 PolarHBondContact O-N 2.83Å; L128-V132 WeakPolarHBondContact O-CG2 3.39Å; L128-V132 PolarHBondContact O-N 2.69Å; L128-L161 HydrophobicContact CD2-CD2 4.31Å; L128-T164 HydrophobicContact CD2-CG2 4.25Å; L128-L165 HydrophobicContact CD1-CD1 4.33Å; L128-L165 HydrophobicContact CD2-CB 4.26Å
129I97.4Very high95.4Very high52 Ų5249.7 Ų49.727%0.26725%0.25SS..Hα-helixtrans-61.1-45.6174.7-68.9164.2000110.4L119 Q121 L125 S126 N131 V132 V133L119-I129 HydrophobicContact CD1-CB 4.24Å; L119-I129 HydrophobicContact CD1-CG2 4.08Å; L119-I129 HydrophobicContact CD2-CG2 4.17Å; Q121-I129 HydrophobicContact CG-CD1 4.11Å; L125-I129 HydrophobicContact CG-CD1 4.14Å; L125-I129 VanDerWaalsContact O-CG1 3.27Å; L125-I129 WeakPolarHBondContact O-CG1 3.47Å; L125-I129 PolarHBondContact O-N 2.84Å; S126-I129 PolarHBondContact O-N 2.81Å; I129-N131 VanDerWaalsContact C-N 3.29Å; I129-N131 PolarHBondContact O-N 3.3Å; I129-V132 PolarHBondContact O-N 3.21Å; I129-V133 WeakPolarHBondContact O-CG2 3.38Å; I129-V133 PolarHBondContact O-N 3.11Å
130L97.5Very high95.3Very high0 Ų050 Ų500%026%0.26CS..Hα-helixtrans-63.1-35.3177.2-67.4178.6000112.6L69 R73 T112 I115 L119 S126 L127 V133 T134L69-L130 HydrophobicContact CD2-CB 4.34Å; R73-L130 HydrophobicContact CB-CD1 4.15Å; T112-L130 HydrophobicContact CG2-CB 4.35Å; T112-L130 HydrophobicContact CG2-CD2 4.23Å; I115-L130 HydrophobicContact CB-CD2 4.27Å; I115-L130 HydrophobicContact CG2-CD2 4.2Å; L119-L130 HydrophobicContact CD1-CD2 4.01Å; L119-L130 HydrophobicContact CD1-CG 3.98Å; S126-L130 WeakPolarHBondContact O-CG 3.31Å; S126-L130 PolarHBondContact O-N 3.5Å; L127-L130 PolarHBondContact O-N 3.29Å; L130-V133 PolarHBondContact O-N 2.82Å; L130-T134 WeakPolarHBondContact O-CB 3.48Å; L130-T134 PolarHBondContact O-N 3.18Å; L130-T134 PolarHBondContact O-OG1 3.36Å
131N97.5Very high95.2Very high0 Ų041.8 Ų41.80%023%0.227CC..Hα-helixtrans-65.4-44.7173.3-178-74.5000111.4L69 L127 L128 I129 V133 T134 I135 S160 T164L69-N131 HydrophobicContact CD1-CB 3.79Å; L127-N131 WeakPolarHBondContact O-CB 3.41Å; L127-N131 PolarHBondContact O-N 2.84Å; L128-N131 WeakPolarHBondContact O-CB 3.16Å; L128-N131 PolarHBondContact O-N 2.83Å; I129-N131 VanDerWaalsContact C-N 3.29Å; I129-N131 PolarHBondContact O-N 3.3Å; N131-V133 PolarHBondContact O-N 3.08Å; N131-T134 WeakPolarHBondContact O-CA 3.42Å; N131-T134 VanDerWaalsContact O-CB 3.28Å; N131-T134 WeakPolarHBondContact O-CB 3.19Å; N131-T134 PolarHBondContact O-N 3.12Å; N131-I135 WeakPolarHBondContact O-CG1 3.46Å; N131-I135 PolarHBondContact O-N 2.89Å; N131-I135 WeakPolarHBondContact OD1-CD1 3.44Å; N131-S160 PolarHBondContact ND2-O 2.81Å; N131-S160 PolarHBondContact OD1-OG 3.02Å; N131-T164 HydrophobicContact CB-CG2 4.09Å; N131-T164 PolarHBondContact ND2-OG1 3.43Å
132V97Very high95.1Very high69 Ų6938.8 Ų38.842%0.41822%0.216SC..Hα-helixtrans-61.1-43.1175.3172.50000111.5L128 I129 T134 I135 I136 L161L128-V132 WeakPolarHBondContact O-CG2 3.39Å; L128-V132 PolarHBondContact O-N 2.69Å; I129-V132 PolarHBondContact O-N 3.21Å; V132-T134 VanDerWaalsContact C-N 3.25Å; V132-T134 PolarHBondContact O-N 2.95Å; V132-I135 PolarHBondContact O-N 3.05Å; V132-I136 HydrophobicContact CG1-CD1 4.16Å; V132-I136 WeakPolarHBondContact O-CG1 3.14Å; V132-I136 PolarHBondContact O-N 3.19Å; V132-L161 HydrophobicContact CG2-CD2 4.31Å
133V96.9Very high94.9Very high31 Ų3139 Ų3919%0.18822%0.217CC..Hα-helixtrans-58.4-41173.2170.90000111V111 I115 I129 L130 N131 I136 I137V111-V133 HydrophobicContact CG1-CG1 3.82Å; I115-V133 HydrophobicContact CD1-CG1 4.28Å; I129-V133 WeakPolarHBondContact O-CG2 3.38Å; I129-V133 PolarHBondContact O-N 3.11Å; L130-V133 PolarHBondContact O-N 2.82Å; N131-V133 PolarHBondContact O-N 3.08Å; V133-I136 PolarHBondContact O-N 3.16Å; V133-I137 HydrophobicContact CG1-CD1 4.16Å; V133-I137 WeakPolarHBondContact O-CG1 3.36Å; V133-I137 PolarHBondContact O-N 3.17Å
134T96.9Very high94.6Very high0 Ų042.8 Ų42.80%024%0.241CC..Hα-helixtrans-63.7-43.8177.2-58.50000112F65 L69 I108 L130 N131 V132 I136 I137 L138F65-T134 HydrophobicContact CD2-CG2 3.53Å; F65-T134 HydrophobicContact CE2-CG2 3.72Å; F65-T134 HydrophobicContact CG-CG2 4.03Å; F65-T134 HydrophobicContact CZ-CG2 4.36Å; L69-T134 WeakPolarHBondContact CD2-OG1 3.41Å; I108-T134 HydrophobicContact CB-CG2 4.46Å; I108-T134 HydrophobicContact CD1-CG2 3.66Å; I108-T134 HydrophobicContact CG1-CG2 3.93Å; I108-T134 HydrophobicContact CG2-CG2 3.66Å; L130-T134 WeakPolarHBondContact O-CB 3.48Å; L130-T134 PolarHBondContact O-N 3.18Å; L130-T134 PolarHBondContact O-OG1 3.36Å; N131-T134 WeakPolarHBondContact O-CA 3.42Å; N131-T134 VanDerWaalsContact O-CB 3.28Å; N131-T134 WeakPolarHBondContact O-CB 3.19Å; N131-T134 PolarHBondContact O-N 3.12Å; V132-T134 VanDerWaalsContact C-N 3.25Å; V132-T134 PolarHBondContact O-N 2.95Å; T134-I136 VanDerWaalsContact C-N 3.3Å; T134-I136 PolarHBondContact O-N 3.25Å; T134-I137 WeakPolarHBondContact O-CB 3.39Å; T134-I137 PolarHBondContact O-N 3.46Å; T134-L138 HydrophobicContact CG2-CD1 4.16Å; T134-L138 HydrophobicContact CG2-CG 4.46Å; T134-L138 WeakPolarHBondContact O-CG 3.42Å; T134-L138 PolarHBondContact O-N 3.47Å
135I95.6Very high94.1Very high18 Ų1842.5 Ų42.59%0.09224%0.24CC..Hα-helixtrans-59.6-41.6175.2-69.4164.2000110.9N131 V132 I137 L138 F139 V153 I157N131-I135 WeakPolarHBondContact O-CG1 3.46Å; N131-I135 PolarHBondContact O-N 2.89Å; N131-I135 WeakPolarHBondContact OD1-CD1 3.44Å; V132-I135 PolarHBondContact O-N 3.05Å; I135-I137 VanDerWaalsContact C-N 3.34Å; I135-I137 PolarHBondContact O-N 2.89Å; I135-L138 PolarHBondContact O-N 2.87Å; I135-F139 WeakPolarHBondContact O-CB 3.48Å; I135-F139 PolarHBondContact O-N 3.44Å; I135-V153 HydrophobicContact CG2-CG1 4.49Å; I135-I157 HydrophobicContact CD1-CB 4.41Å; I135-I157 HydrophobicContact CD1-CG1 4.13Å; I135-I157 HydrophobicContact CD1-CG2 4.38Å; I135-I157 HydrophobicContact CG2-CD1 4.29Å; I135-I157 HydrophobicContact CG2-CG1 3.78Å
136I95.6Very high93.3Very high113 Ų11344.6 Ų44.658%0.57926%0.259SS*.Hα-helixtrans-62.2-42.6177.3-67165.5000110.9V132 V133 T134 F139 G140V132-I136 HydrophobicContact CG1-CD1 4.16Å; V132-I136 WeakPolarHBondContact O-CG1 3.14Å; V132-I136 PolarHBondContact O-N 3.19Å; V133-I136 PolarHBondContact O-N 3.16Å; T134-I136 VanDerWaalsContact C-N 3.3Å; T134-I136 PolarHBondContact O-N 3.25Å; I136-F139 PolarHBondContact O-N 3.08Å; I136-G140 PolarHBondContact O-N 3.13Å
137I94.5Very high92.5Very high33 Ų3346.9 Ų46.917%0.16927%0.271CS..Hα-helixtrans-61.3-48.6175.5-65.8165.9000110.2V107 I108 V111 V133 T134 I135 F139 G140 V141V107-I137 HydrophobicContact CG1-CG2 4.27Å; I108-I137 HydrophobicContact CG1-CB 4.46Å; I108-I137 HydrophobicContact CG1-CD1 4.31Å; I108-I137 HydrophobicContact CG1-CG2 4.04Å; V111-I137 HydrophobicContact CB-CD1 3.96Å; V111-I137 HydrophobicContact CG1-CD1 4.01Å; V111-I137 HydrophobicContact CG2-CD1 4.11Å; V133-I137 HydrophobicContact CG1-CD1 4.16Å; V133-I137 WeakPolarHBondContact O-CG1 3.36Å; V133-I137 PolarHBondContact O-N 3.17Å; T134-I137 WeakPolarHBondContact O-CB 3.39Å; T134-I137 PolarHBondContact O-N 3.46Å; I135-I137 VanDerWaalsContact C-N 3.34Å; I135-I137 PolarHBondContact O-N 2.89Å; I137-F139 VanDerWaalsContact C-N 3.33Å; I137-F139 PolarHBondContact O-N 3.2Å; I137-G140 PolarHBondContact O-N 2.87Å; I137-G140 VanDerWaalsContact O-N 3.13Å; I137-V141 WeakPolarHBondContact O-CG2 3.41Å; I137-V141 PolarHBondContact O-N 2.94Å
138L93.3Very high91.7Very high5 Ų548.5 Ų48.53%0.02628%0.277CS..Hα-helixtrans-62.3-39.2-180-69.9174.7000112.3F65 T104 I108 T134 I135 V141 A142 Y148 L156F65-L138 HydrophobicContact CE1-CD1 4.28Å; T104-L138 HydrophobicContact CG2-CD2 3.68Å; I108-L138 HydrophobicContact CD1-CD2 3.99Å; I108-L138 HydrophobicContact CD1-CG 4.26Å; T134-L138 HydrophobicContact CG2-CD1 4.16Å; T134-L138 HydrophobicContact CG2-CG 4.46Å; T134-L138 WeakPolarHBondContact O-CG 3.42Å; T134-L138 PolarHBondContact O-N 3.47Å; I135-L138 PolarHBondContact O-N 2.87Å; L138-V141 PolarHBondContact O-N 3.22Å; L138-A142 WeakPolarHBondContact O-CB 3.48Å; L138-A142 PolarHBondContact O-N 3.15Å; L138-Y148 HydrophobicContact CD2-CD2 4.43Å; L138-Y148 HydrophobicContact CD2-CE2 3.77Å; L138-L156 HydrophobicContact CD1-CD2 3.44Å; L138-L156 VanDerWaalsContact CD1-CD2 3.44Å
139F92.6Very high91.1Very high94 Ų9448.2 Ų48.241%0.41228%0.277SS..Hα-helixtrans-61.8-44173.2-172.3-92.7000111.6I135 I136 I137 V141 A142 L143 L150 V153I135-F139 WeakPolarHBondContact O-CB 3.48Å; I135-F139 PolarHBondContact O-N 3.44Å; I136-F139 PolarHBondContact O-N 3.08Å; I137-F139 VanDerWaalsContact C-N 3.33Å; I137-F139 PolarHBondContact O-N 3.2Å; F139-V141 VanDerWaalsContact C-N 3.35Å; F139-V141 PolarHBondContact O-N 3.48Å; F139-A142 WeakPolarHBondContact O-CB 3.34Å; F139-A142 PolarHBondContact O-N 3.47Å; F139-L143 HydrophobicContact CD1-CD1 4.12Å; F139-L143 HydrophobicContact CD1-CG 4.46Å; F139-L143 HydrophobicContact CE1-CD1 3.8Å; F139-L143 HydrophobicContact CE1-CD2 4.43Å; F139-L143 HydrophobicContact CE1-CG 4.22Å; F139-L143 WeakPolarHBondContact O-CG 3.39Å; F139-L143 PolarHBondContact O-N 2.84Å; F139-L150 HydrophobicContact CD2-CD2 4Å; F139-L150 HydrophobicContact CE2-CD2 3.41Å; F139-L150 VanDerWaalsContact CE2-CD2 3.41Å; F139-L150 HydrophobicContact CZ-CD2 3.86Å; F139-V153 HydrophobicContact CB-CG1 4.18Å; F139-V153 HydrophobicContact CD2-CG1 4.14Å
140G92.5Very high90.5Very high34 Ų3449.6 Ų49.635%0.35128%0.284SS..Hα-helixtrans-60.3-41.9175.100000112.9I136 I137 L143I136-G140 PolarHBondContact O-N 3.13Å; I137-G140 PolarHBondContact O-N 2.87Å; I137-G140 VanDerWaalsContact O-N 3.13Å; G140-L143 PolarHBondContact O-N 2.9Å
141V90.8Very high89.9Confident33 Ų3351.3 Ų51.320%0.230%0.296CS..Hα-helixtrans-65-41.6175.4176.10000111.1T104 I137 L138 F139 L143 V144 S145 Y148T104-V141 HydrophobicContact CG2-CG2 4.19Å; I137-V141 WeakPolarHBondContact O-CG2 3.41Å; I137-V141 PolarHBondContact O-N 2.94Å; L138-V141 PolarHBondContact O-N 3.22Å; F139-V141 VanDerWaalsContact C-N 3.35Å; F139-V141 PolarHBondContact O-N 3.48Å; V141-L143 PolarHBondContact O-N 3.48Å; V141-V144 PolarHBondContact O-N 3.23Å; V141-V144 VanDerWaalsContact O-N 3.1Å; V141-S145 WeakPolarHBondContact O-CB 3.49Å; V141-S145 PolarHBondContact O-N 3.49Å; V141-Y148 HydrophobicContact CB-CD2 4.43Å; V141-Y148 HydrophobicContact CG1-CD2 3.95Å; V141-Y148 HydrophobicContact CG1-CE2 4.19Å
142A89.3Confident89.3Confident15 Ų1552 Ų5212%0.12430%0.3CS..Hα-helixtrans-61-25.9178.500000113.8L138 F139 Y148 V153L138-A142 WeakPolarHBondContact O-CB 3.48Å; L138-A142 PolarHBondContact O-N 3.15Å; F139-A142 WeakPolarHBondContact O-CB 3.34Å; F139-A142 PolarHBondContact O-N 3.47Å; A142-Y148 WeakPolarHBondContact CA-O 3.39Å; A142-Y148 WeakPolarHBondContact CB-O 3.4Å; A142-V153 HydrophobicContact CB-CG2 3.95Å
143L89.8Confident88.9Confident113 Ų11348.9 Ų48.959%0.59228%0.281SS*.Hα-helixtrans-77.2-26.3176.8-68.6176.2000113.4F139 G140 V141 L150F139-L143 HydrophobicContact CD1-CD1 4.12Å; F139-L143 HydrophobicContact CD1-CG 4.46Å; F139-L143 HydrophobicContact CE1-CD1 3.8Å; F139-L143 HydrophobicContact CE1-CD2 4.43Å; F139-L143 HydrophobicContact CE1-CG 4.22Å; F139-L143 WeakPolarHBondContact O-CG 3.39Å; F139-L143 PolarHBondContact O-N 2.84Å; G140-L143 PolarHBondContact O-N 2.9Å; V141-L143 PolarHBondContact O-N 3.48Å; L143-L150 HydrophobicContact CD2-CD2 4.16Å
144V88.1Confident88.5Confident136 Ų13652.5 Ų52.582%0.82430%0.298SS*.Hα-helixtrans-108.2-23.1-172.9-176.30000111.7V141V141-V144 PolarHBondContact O-N 3.23Å; V141-V144 VanDerWaalsContact O-N 3.1Å
145S84.1Confident88.1Confident23 Ų2354.5 Ų54.516%0.16131%0.308CS..  trans-129.1136.2-173.1-168.70000111.6V141 I147V141-S145 WeakPolarHBondContact O-CB 3.49Å; V141-S145 PolarHBondContact O-N 3.49Å; S145-I147 PolarHBondContact O-N 3.01Å; S145-I147 WeakPolarHBondContact OG-CD1 3.11Å; S145-I147 WeakPolarHBondContact OG-CG1 3.36Å
146P79.9Confident87.9Confident127 Ų12754.1 Ų54.183%0.82531%0.307SS*.THydrogen-bonded Turntrans-73.47.2179.332.5-37.1000113.9Y148P146-Y148 VanDerWaalsContact C-N 3.32Å
147I79.1Confident87.7Confident48 Ų4851.9 Ų51.925%0.24630%0.295CS..THydrogen-bonded Turntrans-70-32.9-179-62.7163.9000111.6M100 S145M100-I147 HydrophobicContact CB-CD1 3.26Å; M100-I147 HydrophobicContact CG-CD1 3.15Å; S145-I147 PolarHBondContact O-N 3.01Å; S145-I147 WeakPolarHBondContact OG-CD1 3.11Å; S145-I147 WeakPolarHBondContact OG-CG1 3.36Å
148Y80.5Confident87.7Confident34 Ų3453.5 Ų53.513%0.13331%0.308CS..SBendtrans-125.2129.2176.8-60-68.3000109.1Y101 T104 L138 V141 A142 P146Y101-Y148 WeakPolarHBondContact CD2-OH 3.36Å; Y101-Y148 WeakPolarHBondContact CE2-OH 3.46Å; T104-Y148 HydrophobicContact CG2-CE2 4.4Å; L138-Y148 HydrophobicContact CD2-CD2 4.43Å; L138-Y148 HydrophobicContact CD2-CE2 3.77Å; V141-Y148 HydrophobicContact CB-CD2 4.43Å; V141-Y148 HydrophobicContact CG1-CD2 3.95Å; V141-Y148 HydrophobicContact CG1-CE2 4.19Å; A142-Y148 WeakPolarHBondContact CA-O 3.39Å; A142-Y148 WeakPolarHBondContact CB-O 3.4Å; P146-Y148 VanDerWaalsContact C-N 3.32Å
149T83.9Confident87.7Confident34 Ų3454.1 Ų54.121%0.20931%0.311CS..  trans-84.5151.4166.964.90000110.4Y59 S151 E152 V153Y59-T149 HydrophobicContact CD1-CG2 4.43Å; Y59-T149 HydrophobicContact CE1-CG2 3.52Å; Y59-T149 WeakPolarHBondContact OH-CG2 3.36Å; T149-S151 PolarHBondContact O-N 3.44Å; T149-S151 PolarHBondContact OG1-OG 3.44Å; T149-E152 WeakPolarHBondContact CA-OE2 3.39Å; T149-E152 WeakPolarHBondContact CB-OE2 3.32Å; T149-E152 PolarHBondContact N-OE2 3.27Å; T149-E152 PolarHBondContact O-N 3.2Å; T149-E152 VanDerWaalsContact O-N 3.09Å; T149-E152 VanDerWaalsContact OG1-CG 3.26Å; T149-E152 WeakPolarHBondContact OG1-CG 3.19Å; T149-E152 PolarHBondContact OG1-N 3.35Å; T149-E152 PolarHBondContact OG1-OE2 3.49Å; T149-V153 PolarHBondContact O-N 3.43Å
150L84.8Confident87.7Confident81 Ų8149.6 Ų49.642%0.42429%0.291SS..Hα-helixtrans-56.9-34.4175.1-68.6171.1000112.1F139 L143 V153 I154F139-L150 HydrophobicContact CD2-CD2 4Å; F139-L150 HydrophobicContact CE2-CD2 3.41Å; F139-L150 VanDerWaalsContact CE2-CD2 3.41Å; F139-L150 HydrophobicContact CZ-CD2 3.86Å; L143-L150 HydrophobicContact CD2-CD2 4.16Å; L150-V153 PolarHBondContact O-N 2.82Å; L150-I154 WeakPolarHBondContact O-CD1 3.44Å; L150-I154 VanDerWaalsContact O-CG1 3.23Å; L150-I154 WeakPolarHBondContact O-CG1 3.34Å; L150-I154 PolarHBondContact O-N 3.39Å
151S85.5Confident87.9Confident36 Ų3650.6 Ų50.625%0.25229%0.288SS..Hα-helixtrans-64.4-39176.639.60000113.6T149 I154 I155T149-S151 PolarHBondContact O-N 3.44Å; T149-S151 PolarHBondContact OG1-OG 3.44Å; S151-I154 PolarHBondContact O-N 2.96Å; S151-I155 PolarHBondContact O-N 3.16Å
152E85.3Confident88Confident14 Ų1453.3 Ų53.37%0.06530%0.301CS..Hα-helixtrans-65.6-45.1176.2-73.4164.5108.400110.9Y55 Y59 T149 I154 I155 L156Y55-E152 HydrophobicContact CD1-CG 4.13Å; Y59-E152 WeakPolarHBondContact CB-OE1 3.47Å; Y59-E152 HydrophobicContact CD1-CG 4.02Å; Y59-E152 WeakPolarHBondContact CD1-OE1 3.26Å; Y59-E152 WeakPolarHBondContact CD1-OE2 3.37Å; Y59-E152 HydrophobicContact CG-CG 3.87Å; T149-E152 WeakPolarHBondContact CA-OE2 3.39Å; T149-E152 WeakPolarHBondContact CB-OE2 3.32Å; T149-E152 PolarHBondContact N-OE2 3.27Å; T149-E152 PolarHBondContact O-N 3.2Å; T149-E152 VanDerWaalsContact O-N 3.09Å; T149-E152 VanDerWaalsContact OG1-CG 3.26Å; T149-E152 WeakPolarHBondContact OG1-CG 3.19Å; T149-E152 PolarHBondContact OG1-N 3.35Å; T149-E152 PolarHBondContact OG1-OE2 3.49Å; E152-I154 VanDerWaalsContact C-N 3.31Å; E152-I154 PolarHBondContact O-N 3.18Å; E152-I155 PolarHBondContact O-N 3.31Å; E152-L156 WeakPolarHBondContact O-CB 3.39Å; E152-L156 PolarHBondContact O-N 2.71Å
153V87.2Confident88.2Confident4 Ų452.7 Ų52.72%0.02430%0.295CS..Hα-helixtrans-61.5-41.7179-178.50000110.7I135 F139 A142 T149 L150 I155 L156 I157I135-V153 HydrophobicContact CG2-CG1 4.49Å; F139-V153 HydrophobicContact CB-CG1 4.18Å; F139-V153 HydrophobicContact CD2-CG1 4.14Å; A142-V153 HydrophobicContact CB-CG2 3.95Å; T149-V153 PolarHBondContact O-N 3.43Å; L150-V153 PolarHBondContact O-N 2.82Å; V153-I155 VanDerWaalsContact C-N 3.33Å; V153-I155 PolarHBondContact O-N 3.22Å; V153-L156 WeakPolarHBondContact O-CB 3.39Å; V153-L156 PolarHBondContact O-N 3.34Å; V153-I157 WeakPolarHBondContact O-CG1 3.18Å; V153-I157 PolarHBondContact O-N 3.37Å
154I88.6Confident88.5Confident108 Ų10847.3 Ų47.355%0.55427%0.267SS*.Hα-helixtrans-60.3-41.5178.2-71.3165.3000111.8L150 S151 E152 I157 P158L150-I154 WeakPolarHBondContact O-CD1 3.44Å; L150-I154 VanDerWaalsContact O-CG1 3.23Å; L150-I154 WeakPolarHBondContact O-CG1 3.34Å; L150-I154 PolarHBondContact O-N 3.39Å; S151-I154 PolarHBondContact O-N 2.96Å; E152-I154 VanDerWaalsContact C-N 3.31Å; E152-I154 PolarHBondContact O-N 3.18Å; I154-I157 PolarHBondContact O-N 3.47Å; I154-P158 WeakPolarHBondContact O-CD 3.5Å
155I89.2Confident88.8Confident41 Ų4144.3 Ų44.321%0.2125%0.246CC..Hα-helixtrans-78.3-29.4-179.2-71.1171.9000112.1Y55 I61 S151 E152 V153 I157 P158 I159Y55-I155 HydrophobicContact CD1-CD1 4.27Å; Y55-I155 HydrophobicContact CD2-CD1 3.5Å; Y55-I155 VanDerWaalsContact CD2-CD1 3.5Å; Y55-I155 HydrophobicContact CE1-CD1 3.78Å; Y55-I155 HydrophobicContact CE2-CD1 2.92Å; Y55-I155 HydrophobicContact CE2-CG1 4.4Å; Y55-I155 HydrophobicContact CG-CD1 4.15Å; Y55-I155 VanDerWaalsContact OH-CD1 3.29Å; Y55-I155 WeakPolarHBondContact OH-CD1 3.24Å; I61-I155 HydrophobicContact CD1-CB 4.23Å; I61-I155 HydrophobicContact CD1-CG2 3.66Å; S151-I155 PolarHBondContact O-N 3.16Å; E152-I155 PolarHBondContact O-N 3.31Å; V153-I155 VanDerWaalsContact C-N 3.33Å; V153-I155 PolarHBondContact O-N 3.22Å; I155-I157 PolarHBondContact O-N 3.06Å; I155-P158 VanDerWaalsContact O-CD 3.32Å; I155-P158 WeakPolarHBondContact O-CD 3.46Å; I155-P158 WeakPolarHBondContact O-CG 3.4Å; I155-I159 HydrophobicContact CG2-CD1 3.74Å; I155-I159 WeakPolarHBondContact O-CG1 3.4Å
156L91.2Very high89.3Confident11 Ų1144.6 Ų44.66%0.05825%0.25CC..Hα-helixtrans-61.7-32.2173.1177.466.2000111.9I61 L63 F65 L138 E152 V153 I159 S160I61-L156 HydrophobicContact CG2-CB 4.25Å; I61-L156 HydrophobicContact CG2-CD1 3.49Å; I61-L156 VanDerWaalsContact CG2-CD1 3.49Å; I61-L156 HydrophobicContact CG2-CG 4.41Å; L63-L156 HydrophobicContact CD2-CD1 3.76Å; F65-L156 HydrophobicContact CE1-CD1 4.06Å; F65-L156 HydrophobicContact CE1-CD2 4.21Å; F65-L156 HydrophobicContact CZ-CD1 4.11Å; F65-L156 HydrophobicContact CZ-CD2 4.32Å; L138-L156 HydrophobicContact CD1-CD2 3.44Å; L138-L156 VanDerWaalsContact CD1-CD2 3.44Å; E152-L156 WeakPolarHBondContact O-CB 3.39Å; E152-L156 PolarHBondContact O-N 2.71Å; V153-L156 WeakPolarHBondContact O-CB 3.39Å; V153-L156 PolarHBondContact O-N 3.34Å; L156-I159 PolarHBondContact O-N 2.98Å; L156-S160 WeakPolarHBondContact O-CB 3.14Å; L156-S160 PolarHBondContact O-N 3.42Å; L156-S160 PolarHBondContact O-OG 3.04Å
157I92.5Very high89.9Confident65 Ų6538.7 Ų38.733%0.33321%0.211SC..Hα-helixtrans-53.6-64.8-177.7-65.8166.6000112.1I135 V153 I154 I155 I159 S160 L161I135-I157 HydrophobicContact CD1-CB 4.41Å; I135-I157 HydrophobicContact CD1-CG1 4.13Å; I135-I157 HydrophobicContact CD1-CG2 4.38Å; I135-I157 HydrophobicContact CG2-CD1 4.29Å; I135-I157 HydrophobicContact CG2-CG1 3.78Å; V153-I157 WeakPolarHBondContact O-CG1 3.18Å; V153-I157 PolarHBondContact O-N 3.37Å; I154-I157 PolarHBondContact O-N 3.47Å; I155-I157 PolarHBondContact O-N 3.06Å; I157-I159 VanDerWaalsContact C-N 3.32Å; I157-I159 PolarHBondContact O-N 2.77Å; I157-S160 PolarHBondContact O-OG 3.36Å; I157-L161 HydrophobicContact CG2-CD1 3.83Å; I157-L161 WeakPolarHBondContact O-CB 3.49Å; I157-L161 VanDerWaalsContact O-CG 3.23Å; I157-L161 WeakPolarHBondContact O-CG 3.42Å; I157-L161 PolarHBondContact O-N 2.73Å
158P93.6Very high90.6Very high67 Ų6736.4 Ų36.444%0.43520%0.199SC..Hα-helixtrans-63.8-39.2-17725-34.9000112I154 I155 L161 I162I154-P158 WeakPolarHBondContact O-CD 3.5Å; I155-P158 VanDerWaalsContact O-CD 3.32Å; I155-P158 WeakPolarHBondContact O-CD 3.46Å; I155-P158 WeakPolarHBondContact O-CG 3.4Å; P158-L161 PolarHBondContact O-N 3.29Å; P158-I162 WeakPolarHBondContact O-CB 2.92Å; P158-I162 WeakPolarHBondContact O-CD1 3.37Å; P158-I162 WeakPolarHBondContact O-CG1 3.41Å; P158-I162 PolarHBondContact O-N 3.44Å
159I92.4Very high91.2Very high18 Ų1838.2 Ų38.29%0.09221%0.211CC..Hα-helixtrans-62.7-51.6-178.2-67.8178000110.8F5 I53 L63 I155 L156 I157 L161 I162 I163F5-I159 HydrophobicContact CD2-CG2 3.84Å; F5-I159 HydrophobicContact CE2-CB 4.43Å; F5-I159 HydrophobicContact CE2-CG2 3.9Å; I53-I159 HydrophobicContact CD1-CD1 4.44Å; I53-I159 HydrophobicContact CD1-CG2 3.67Å; L63-I159 HydrophobicContact CD1-CG2 3.95Å; L63-I159 HydrophobicContact CD2-CG2 4.01Å; I155-I159 HydrophobicContact CG2-CD1 3.74Å; I155-I159 WeakPolarHBondContact O-CG1 3.4Å; L156-I159 PolarHBondContact O-N 2.98Å; I157-I159 VanDerWaalsContact C-N 3.32Å; I157-I159 PolarHBondContact O-N 2.77Å; I159-L161 VanDerWaalsContact C-N 3.35Å; I159-L161 PolarHBondContact O-N 3.15Å; I159-I162 PolarHBondContact O-N 2.57Å; I159-I163 HydrophobicContact CG2-CD1 3.95Å; I159-I163 WeakPolarHBondContact O-CB 3.37Å; I159-I163 WeakPolarHBondContact O-CG1 3.44Å; I159-I163 PolarHBondContact O-N 3.24Å
160S94Very high91.6Very high0 Ų038 Ų380%021%0.209CC..Hα-helixtrans-68.5-34.7-177.968.70000111.9N131 L156 I157 T164N131-S160 PolarHBondContact ND2-O 2.81Å; N131-S160 PolarHBondContact OD1-OG 3.02Å; L156-S160 WeakPolarHBondContact O-CB 3.14Å; L156-S160 PolarHBondContact O-N 3.42Å; L156-S160 PolarHBondContact O-OG 3.04Å; I157-S160 PolarHBondContact O-OG 3.36Å; S160-T164 WeakPolarHBondContact O-CB 3.32Å; S160-T164 PolarHBondContact O-N 2.92Å; S160-T164 PolarHBondContact O-OG1 2.91Å
161L95.3Very high91.9Very high55 Ų5534.2 Ų34.229%0.28819%0.19SC..Hα-helixtrans-65.1-45.3173.5-73.5173.4000111.9L128 V132 I157 P158 I159 T164 L165L128-L161 HydrophobicContact CD2-CD2 4.31Å; V132-L161 HydrophobicContact CG2-CD2 4.31Å; I157-L161 HydrophobicContact CG2-CD1 3.83Å; I157-L161 WeakPolarHBondContact O-CB 3.49Å; I157-L161 VanDerWaalsContact O-CG 3.23Å; I157-L161 WeakPolarHBondContact O-CG 3.42Å; I157-L161 PolarHBondContact O-N 2.73Å; P158-L161 PolarHBondContact O-N 3.29Å; I159-L161 VanDerWaalsContact C-N 3.35Å; I159-L161 PolarHBondContact O-N 3.15Å; L161-T164 PolarHBondContact O-N 3.33Å; L161-L165 VanDerWaalsContact O-CB 3.24Å; L161-L165 WeakPolarHBondContact O-CB 3.29Å; L161-L165 PolarHBondContact O-N 3.18Å
162I94.2Very high92.1Very high90 Ų9034.5 Ų34.546%0.46219%0.189SC..Hα-helixtrans-62.6-45.8178.1-68.5163.6000110.5F5 I9 P158 I159 L165 A166F5-I162 HydrophobicContact CZ-CB 4.3Å; F5-I162 HydrophobicContact CZ-CD1 4.43Å; F5-I162 HydrophobicContact CZ-CG2 3.82Å; I9-I162 HydrophobicContact CD1-CG2 4.41Å; P158-I162 WeakPolarHBondContact O-CB 2.92Å; P158-I162 WeakPolarHBondContact O-CD1 3.37Å; P158-I162 WeakPolarHBondContact O-CG1 3.41Å; P158-I162 PolarHBondContact O-N 3.44Å; I159-I162 PolarHBondContact O-N 2.57Å; I162-L165 PolarHBondContact O-N 2.88Å; I162-A166 WeakPolarHBondContact O-CB 2.95Å; I162-A166 PolarHBondContact O-N 3.29Å
163I92.7Very high92.3Very high2 Ų238.5 Ų38.51%0.0121%0.211CC..Hα-helixtrans-67.6-41-179.1-69.6177.5000111.2F5 N8 I9 I12 L63 V66 I159 L165 A166 S167F5-I163 HydrophobicContact CD2-CD1 3.94Å; F5-I163 HydrophobicContact CD2-CG1 4.42Å; F5-I163 HydrophobicContact CE2-CD1 3.82Å; F5-I163 HydrophobicContact CE2-CG1 3.83Å; N8-I163 HydrophobicContact CB-CD1 4.18Å; I9-I163 HydrophobicContact CD1-CG1 4.22Å; I9-I163 HydrophobicContact CG1-CD1 4.21Å; I9-I163 HydrophobicContact CG1-CG1 3.64Å; I12-I163 HydrophobicContact CD1-CG2 3.3Å; L63-I163 HydrophobicContact CD1-CD1 3.22Å; L63-I163 HydrophobicContact CD2-CD1 4.25Å; L63-I163 HydrophobicContact CG-CD1 4.27Å; V66-I163 HydrophobicContact CG1-CG2 4.18Å; I159-I163 HydrophobicContact CG2-CD1 3.95Å; I159-I163 WeakPolarHBondContact O-CB 3.37Å; I159-I163 WeakPolarHBondContact O-CG1 3.44Å; I159-I163 PolarHBondContact O-N 3.24Å; I163-L165 VanDerWaalsContact C-N 3.35Å; I163-A166 PolarHBondContact O-N 3.38Å; I163-S167 VanDerWaalsContact O-CB 3.27Å; I163-S167 WeakPolarHBondContact O-CB 3.38Å; I163-S167 PolarHBondContact O-N 3.19Å; I163-S167 PolarHBondContact O-OG 2.93Å
164T95.4Very high92.3Very high0 Ų039.3 Ų39.30%022%0.216CC..Hα-helixtrans-63.9-42.3175.1-57.10000110.7L127 L128 N131 S160 L161 S167 A168L127-T164 HydrophobicContact CB-CG2 4.07Å; L128-T164 HydrophobicContact CD2-CG2 4.25Å; N131-T164 HydrophobicContact CB-CG2 4.09Å; N131-T164 PolarHBondContact ND2-OG1 3.43Å; S160-T164 WeakPolarHBondContact O-CB 3.32Å; S160-T164 PolarHBondContact O-N 2.92Å; S160-T164 PolarHBondContact O-OG1 2.91Å; L161-T164 PolarHBondContact O-N 3.33Å; T164-S167 WeakPolarHBondContact CA-OG 3.37Å; T164-S167 PolarHBondContact O-OG 3.34Å; T164-S167 VanDerWaalsContact O-OG 3.04Å; T164-A168 WeakPolarHBondContact O-CB 3.36Å; T164-A168 PolarHBondContact O-N 2.93Å
165L95.7Very high92.1Very high72 Ų7239.9 Ų39.938%0.37721%0.211SC..Hα-helixtrans-63.3-49.8177.1-178.161.9000111.7V124 L128 L161 I162 I163 S167 A168 I169V124-L165 HydrophobicContact CG1-CD1 3.83Å; L128-L165 HydrophobicContact CD1-CD1 4.33Å; L128-L165 HydrophobicContact CD2-CB 4.26Å; L161-L165 VanDerWaalsContact O-CB 3.24Å; L161-L165 WeakPolarHBondContact O-CB 3.29Å; L161-L165 PolarHBondContact O-N 3.18Å; I162-L165 PolarHBondContact O-N 2.88Å; I163-L165 VanDerWaalsContact C-N 3.35Å; L165-S167 PolarHBondContact O-N 3.3Å; L165-A168 PolarHBondContact O-N 3.39Å; L165-I169 HydrophobicContact CD1-CD1 3.8Å; L165-I169 HydrophobicContact CD1-CG1 4.2Å; L165-I169 HydrophobicContact CG-CD1 3.89Å; L165-I169 VanDerWaalsContact O-CG1 3.3Å; L165-I169 WeakPolarHBondContact O-CG1 3.24Å; L165-I169 PolarHBondContact O-N 3.02Å
166A93.4Very high91.9Very high30 Ų3043.5 Ų43.525%0.24823%0.226CC..Hα-helixtrans-61.4-45.1-179.400000111.9I162 I163 T170I162-A166 WeakPolarHBondContact O-CB 2.95Å; I162-A166 PolarHBondContact O-N 3.29Å; I163-A166 PolarHBondContact O-N 3.38Å; A166-T170 WeakPolarHBondContact O-CB 3.47Å; A166-T170 PolarHBondContact O-N 3.25Å; A166-T170 PolarHBondContact O-OG1 3.46Å
167S92.6Very high91.7Very high2 Ų248.8 Ų48.81%0.01425%0.249CC..Hα-helixtrans-67.7-39.1176.858.40000112.4F70 I163 T164 L165 T170 F171F70-S167 WeakPolarHBondContact CZ-OG 3.34Å; I163-S167 VanDerWaalsContact O-CB 3.27Å; I163-S167 WeakPolarHBondContact O-CB 3.38Å; I163-S167 PolarHBondContact O-N 3.19Å; I163-S167 PolarHBondContact O-OG 2.93Å; T164-S167 WeakPolarHBondContact CA-OG 3.37Å; T164-S167 PolarHBondContact O-OG 3.34Å; T164-S167 VanDerWaalsContact O-OG 3.04Å; L165-S167 PolarHBondContact O-N 3.3Å; S167-T170 PolarHBondContact O-N 3.26Å; S167-F171 VanDerWaalsContact O-CB 3.29Å; S167-F171 WeakPolarHBondContact O-CB 3.4Å; S167-F171 PolarHBondContact O-N 3.1Å
168A94.3Very high91.1Very high0 Ų047 Ų470%024%0.239CC..Hα-helixtrans-65.5-46.1178.600000111.7F70 V124 L127 T164 L165 F171 V172F70-A168 HydrophobicContact CZ-CB 4.39Å; V124-A168 HydrophobicContact CB-CB 4.46Å; V124-A168 HydrophobicContact CG1-CB 4.18Å; V124-A168 HydrophobicContact CG2-CB 4.33Å; L127-A168 HydrophobicContact CB-CB 4.35Å; L127-A168 HydrophobicContact CD1-CB 3.56Å; T164-A168 WeakPolarHBondContact O-CB 3.36Å; T164-A168 PolarHBondContact O-N 2.93Å; L165-A168 PolarHBondContact O-N 3.39Å; A168-F171 PolarHBondContact O-N 3.07Å; A168-V172 WeakPolarHBondContact O-CB 3.41Å; A168-V172 VanDerWaalsContact O-CG2 3.27Å; A168-V172 WeakPolarHBondContact O-CG2 3.39Å; A168-V172 PolarHBondContact O-N 3.5Å
169I94.1Very high90.5Very high72 Ų7246.2 Ų46.237%0.36924%0.235SC..Hα-helixtrans-60-50.3175.5-68.6169000109.6L165 F171 V172 D173L165-I169 HydrophobicContact CD1-CD1 3.8Å; L165-I169 HydrophobicContact CD1-CG1 4.2Å; L165-I169 HydrophobicContact CG-CD1 3.89Å; L165-I169 VanDerWaalsContact O-CG1 3.3Å; L165-I169 WeakPolarHBondContact O-CG1 3.24Å; L165-I169 PolarHBondContact O-N 3.02Å; I169-F171 VanDerWaalsContact C-N 3.32Å; I169-F171 PolarHBondContact O-N 3.48Å; I169-V172 PolarHBondContact O-N 2.99Å; I169-D173 WeakPolarHBondContact CG2-OD2 3.24Å; I169-D173 VanDerWaalsContact O-CB 3.3Å; I169-D173 WeakPolarHBondContact O-CB 3.47Å; I169-D173 VanDerWaalsContact O-CG 3.28Å; I169-D173 PolarHBondContact O-N 3.39Å
170T91.8Very high90.1Very high29 Ų2947.7 Ų47.718%0.17824%0.243CC..Hα-helixtrans-57-46.2179.8-600000111.6V13 I16 A166 S167 I174V13-T170 HydrophobicContact CG1-CG2 4.11Å; I16-T170 HydrophobicContact CB-CG2 4.42Å; I16-T170 HydrophobicContact CG2-CG2 4.21Å; A166-T170 WeakPolarHBondContact O-CB 3.47Å; A166-T170 PolarHBondContact O-N 3.25Å; A166-T170 PolarHBondContact O-OG1 3.46Å; S167-T170 PolarHBondContact O-N 3.26Å; T170-I174 HydrophobicContact CG2-CD1 3.68Å; T170-I174 VanDerWaalsContact O-CB 3.27Å; T170-I174 WeakPolarHBondContact O-CB 3.42Å; T170-I174 WeakPolarHBondContact O-CD1 3.41Å; T170-I174 WeakPolarHBondContact O-CG1 3.33Å; T170-I174 PolarHBondContact O-N 3.17Å
171F90.8Very high89.5Confident3 Ų349.2 Ų49.21%0.01325%0.252CS..Hα-helixtrans-64.3-46.4179.2-173.7-92.8000112.2I16 F32 M41 F70 F74 S167 A168 I169 I174 W175I16-F171 HydrophobicContact CD1-CB 4.38Å; I16-F171 HydrophobicContact CG2-CB 4.4Å; I16-F171 HydrophobicContact CG2-CD2 4.07Å; F32-F171 HydrophobicContact CE1-CE2 4.42Å; F32-F171 HydrophobicContact CE1-CZ 4.18Å; M41-F171 HydrophobicContact CE-CD2 3.78Å; M41-F171 HydrophobicContact CE-CE2 3.82Å; F70-F171 HydrophobicContact CD1-CB 4.26Å; F70-F171 HydrophobicContact CD1-CD1 4.19Å; F70-F171 HydrophobicContact CD1-CD2 4.13Å; F70-F171 AromaticContact CD1-CG 3.93Å; F70-F171 HydrophobicContact CD1-CG 3.93Å; F70-F171 HydrophobicContact CE1-CB 3.64Å; F70-F171 HydrophobicContact CE1-CD1 4.26Å; F70-F171 HydrophobicContact CE1-CD2 4.31Å; F70-F171 AromaticContact CE1-CG 3.82Å; F70-F171 HydrophobicContact CE1-CG 3.82Å; F74-F171 HydrophobicContact CD1-CE1 4.4Å; F74-F171 HydrophobicContact CD2-CD1 4.41Å; F74-F171 AromaticContact CD2-CE1 3.71Å; F74-F171 HydrophobicContact CD2-CE1 3.71Å; F74-F171 HydrophobicContact CD2-CZ 4.08Å; F74-F171 HydrophobicContact CE1-CE1 4.13Å; F74-F171 AromaticContact CE2-CD1 3.7Å; F74-F171 HydrophobicContact CE2-CD1 3.7Å; F74-F171 AromaticContact CE2-CE1 3.4Å; F74-F171 HydrophobicContact CE2-CE1 3.4Å; F74-F171 HydrophobicContact CE2-CZ 4.18Å; F74-F171 HydrophobicContact CG-CE1 4.21Å; F74-F171 AromaticContact CZ-CD1 3.87Å; F74-F171 HydrophobicContact CZ-CD1 3.87Å; F74-F171 AromaticContact CZ-CE1 3.61Å; F74-F171 HydrophobicContact CZ-CE1 3.61Å; S167-F171 VanDerWaalsContact O-CB 3.29Å; S167-F171 WeakPolarHBondContact O-CB 3.4Å; S167-F171 PolarHBondContact O-N 3.1Å; A168-F171 PolarHBondContact O-N 3.07Å; I169-F171 VanDerWaalsContact C-N 3.32Å; I169-F171 PolarHBondContact O-N 3.48Å; F171-I174 PolarHBondContact O-N 3.26Å; F171-W175 WeakPolarHBondContact O-CB 3.42Å; F171-W175 PolarHBondContact O-N 3.47Å
172V89Confident88.7Confident41 Ų4148.9 Ų48.925%0.24825%0.251CS..Hα-helixtrans-67.4-42.3-179.3170.70000111.3D123 V124 A168 I169 W175 H176D123-V172 HydrophobicContact CB-CG2 3.94Å; V124-V172 HydrophobicContact CG2-CB 4.4Å; V124-V172 HydrophobicContact CG2-CG2 3.96Å; A168-V172 WeakPolarHBondContact O-CB 3.41Å; A168-V172 VanDerWaalsContact O-CG2 3.27Å; A168-V172 WeakPolarHBondContact O-CG2 3.39Å; A168-V172 PolarHBondContact O-N 3.5Å; I169-V172 PolarHBondContact O-N 2.99Å; V172-W175 PolarHBondContact O-N 3.1Å; V172-H176 WeakPolarHBondContact O-CB 3.43Å; V172-H176 PolarHBondContact O-N 3.48Å
173D89.9Confident88Confident98 Ų9850.9 Ų50.952%0.52425%0.253SS..Hα-helixtrans-63.4-43.8177.6-75.3-10.2000111I169 H176 F177I169-D173 WeakPolarHBondContact CG2-OD2 3.24Å; I169-D173 VanDerWaalsContact O-CB 3.3Å; I169-D173 WeakPolarHBondContact O-CB 3.47Å; I169-D173 VanDerWaalsContact O-CG 3.28Å; I169-D173 PolarHBondContact O-N 3.39Å; D173-H176 PolarHBondContact O-N 3.06Å; D173-F177 VanDerWaalsContact O-CB 3.26Å; D173-F177 WeakPolarHBondContact O-CB 3.42Å; D173-F177 PolarHBondContact O-N 3.47Å
174I87.1Confident87.4Confident22 Ų2257.3 Ų57.311%0.11328%0.278CS..Hα-helixtrans-63-46.4176.3-74.1169.2000110.7I16 Y17 H20 T170 F171 H176 F177 F178I16-I174 HydrophobicContact CG2-CD1 3.75Å; Y17-I174 HydrophobicContact CD2-CD1 4.47Å; H20-I174 HydrophobicContact CB-CG2 3.82Å; H20-I174 WeakPolarHBondContact CD2-CG2 3.4Å; H20-I174 VanDerWaalsContact CG-CG2 3.45Å; T170-I174 HydrophobicContact CG2-CD1 3.68Å; T170-I174 VanDerWaalsContact O-CB 3.27Å; T170-I174 WeakPolarHBondContact O-CB 3.42Å; T170-I174 WeakPolarHBondContact O-CD1 3.41Å; T170-I174 WeakPolarHBondContact O-CG1 3.33Å; T170-I174 PolarHBondContact O-N 3.17Å; F171-I174 PolarHBondContact O-N 3.26Å; I174-H176 VanDerWaalsContact C-N 3.33Å; I174-H176 PolarHBondContact O-N 2.99Å; I174-F177 PolarHBondContact O-N 2.69Å; I174-F178 HydrophobicContact CG2-CD2 3.52Å; I174-F178 HydrophobicContact CG2-CE2 3.37Å; I174-F178 WeakPolarHBondContact O-CD2 2.84Å; I174-F178 PolarHBondContact O-N 3.04Å
175W84.1Confident86.7Confident120 Ų12059.5 Ų59.546%0.45529%0.288SS..Hα-helixtrans-56.6-48.4175.1-179.5-78.4000111.5F32 F171 V172 F178 S179F32-W175 HydrophobicContact CB-CE3 4.24Å; F32-W175 HydrophobicContact CB-CH2 3.38Å; F32-W175 HydrophobicContact CB-CZ3 3.22Å; F32-W175 AromaticContact CD1-CE3 3.34Å; F32-W175 HydrophobicContact CD1-CE3 3.34Å; F32-W175 HydrophobicContact CD1-CH2 4.09Å; F32-W175 AromaticContact CD1-CZ3 3.05Å; F32-W175 HydrophobicContact CD1-CZ3 3.05Å; F32-W175 HydrophobicContact CD2-CD2 4.19Å; F32-W175 AromaticContact CD2-CE3 3.55Å; F32-W175 HydrophobicContact CD2-CE3 3.55Å; F32-W175 AromaticContact CD2-CH2 3.77Å; F32-W175 HydrophobicContact CD2-CH2 3.77Å; F32-W175 HydrophobicContact CD2-CZ2 4.4Å; F32-W175 AromaticContact CD2-CZ3 3.37Å; F32-W175 HydrophobicContact CD2-CZ3 3.37Å; F32-W175 HydrophobicContact CE1-CD2 4.26Å; F32-W175 AromaticContact CE1-CE3 3.15Å; F32-W175 HydrophobicContact CE1-CE3 3.15Å; F32-W175 AromaticContact CE1-CZ3 3.46Å; F32-W175 HydrophobicContact CE1-CZ3 3.46Å; F32-W175 VanDerWaalsContact CE1-CZ3 3.46Å; F32-W175 AromaticContact CE2-CD2 3.93Å; F32-W175 HydrophobicContact CE2-CD2 3.93Å; F32-W175 AromaticContact CE2-CE3 3.46Å; F32-W175 HydrophobicContact CE2-CE3 3.46Å; F32-W175 VanDerWaalsContact CE2-CE3 3.46Å; F32-W175 HydrophobicContact CE2-CH2 4.47Å; F32-W175 AromaticContact CE2-CZ3 3.82Å; F32-W175 HydrophobicContact CE2-CZ3 3.82Å; F32-W175 AromaticContact CG-CE3 3.49Å; F32-W175 HydrophobicContact CG-CE3 3.49Å; F32-W175 VanDerWaalsContact CG-CE3 3.49Å; F32-W175 AromaticContact CG-CH2 3.54Å; F32-W175 HydrophobicContact CG-CH2 3.54Å; F32-W175 AromaticContact CG-CZ3 2.94Å; F32-W175 HydrophobicContact CG-CZ3 2.94Å; F32-W175 HydrophobicContact CZ-CB 4.27Å; F32-W175 AromaticContact CZ-CD2 3.95Å; F32-W175 HydrophobicContact CZ-CD2 3.95Å; F32-W175 AromaticContact CZ-CE3 3.24Å; F32-W175 HydrophobicContact CZ-CE3 3.24Å; F32-W175 HydrophobicContact CZ-CG 4.44Å; F32-W175 AromaticContact CZ-CZ3 3.85Å; F32-W175 HydrophobicContact CZ-CZ3 3.85Å; F171-W175 WeakPolarHBondContact O-CB 3.42Å; F171-W175 PolarHBondContact O-N 3.47Å; V172-W175 PolarHBondContact O-N 3.1Å; W175-F178 PolarHBondContact O-N 3.49Å; W175-S179 PolarHBondContact O-N 3.24Å
176H86.1Confident85.9Confident116 Ų11660.4 Ų60.454%0.53729%0.293SS..Hα-helixtrans-62.3-48.8-179.3-173.177.8000111.4V172 D173 I174 F178 S179 L180V172-H176 WeakPolarHBondContact O-CB 3.43Å; V172-H176 PolarHBondContact O-N 3.48Å; D173-H176 PolarHBondContact O-N 3.06Å; I174-H176 VanDerWaalsContact C-N 3.33Å; I174-H176 PolarHBondContact O-N 2.99Å; H176-F178 VanDerWaalsContact C-N 3.31Å; H176-F178 PolarHBondContact O-N 3.37Å; H176-S179 PolarHBondContact O-N 3.34Å; H176-S179 VanDerWaalsContact O-N 3.17Å; H176-S179 PolarHBondContact O-OG 2.95Å; H176-L180 WeakPolarHBondContact O-CB 3.42Å; H176-L180 PolarHBondContact O-N 3.43Å
177F86Confident85.4Confident123 Ų12364.4 Ų64.454%0.53931%0.307SS..Hα-helixtrans-53.9-47.4176.7178.3-98.4000111.4D173 I174 L180 V181D173-F177 VanDerWaalsContact O-CB 3.26Å; D173-F177 WeakPolarHBondContact O-CB 3.42Å; D173-F177 PolarHBondContact O-N 3.47Å; I174-F177 PolarHBondContact O-N 2.69Å; F177-L180 WeakPolarHBondContact O-CB 3.13Å; F177-L180 PolarHBondContact O-N 3.42Å; F177-V181 HydrophobicContact CD1-CG2 4.24Å; F177-V181 HydrophobicContact CE1-CG2 3.82Å; F177-V181 HydrophobicContact CE2-CG2 4.42Å; F177-V181 HydrophobicContact CZ-CG2 3.92Å; F177-V181 WeakPolarHBondContact O-CG2 3.12Å; F177-V181 PolarHBondContact O-N 3.22Å
178F79.9Confident85Confident26 Ų2666.6 Ų66.611%0.11432%0.318CS..Hα-helixtrans-69.5-36.6179.1-75.2-58.3000113.6H20 Y24 M30 I174 W175 H176 L180 V181 N182H20-F178 HydrophobicContact CB-CE2 3.73Å; H20-F178 HydrophobicContact CB-CZ 4.4Å; Y24-F178 HydrophobicContact CD2-CE1 4.18Å; M30-F178 HydrophobicContact CE-CD1 3.7Å; M30-F178 HydrophobicContact CE-CD2 3.79Å; M30-F178 HydrophobicContact CE-CE1 3.34Å; M30-F178 HydrophobicContact CE-CE2 3.43Å; M30-F178 VanDerWaalsContact CE-CE2 3.43Å; M30-F178 HydrophobicContact CE-CG 3.94Å; M30-F178 HydrophobicContact CE-CZ 3.21Å; M30-F178 HydrophobicContact SD-CD1 4.25Å; M30-F178 HydrophobicContact SD-CD2 3.9Å; M30-F178 HydrophobicContact SD-CE1 4.43Å; M30-F178 HydrophobicContact SD-CE2 4.1Å; M30-F178 HydrophobicContact SD-CG 4.01Å; M30-F178 HydrophobicContact SD-CZ 4.37Å; I174-F178 HydrophobicContact CG2-CD2 3.52Å; I174-F178 HydrophobicContact CG2-CE2 3.37Å; I174-F178 WeakPolarHBondContact O-CD2 2.84Å; I174-F178 PolarHBondContact O-N 3.04Å; W175-F178 PolarHBondContact O-N 3.49Å; H176-F178 VanDerWaalsContact C-N 3.31Å; H176-F178 PolarHBondContact O-N 3.37Å; F178-L180 PolarHBondContact O-N 3.02Å; F178-V181 PolarHBondContact O-N 2.96Å; F178-N182 WeakPolarHBondContact O-CB 3.47Å; F178-N182 PolarHBondContact O-N 2.82Å; F178-N182 PolarHBondContact O-ND2 2.78Å
179S81Confident84.9Confident52 Ų5269.1 Ų69.136%0.36433%0.329SS..Hα-helixtrans-60.4-36173.576.40000111.5W175 H176 R183W175-S179 PolarHBondContact O-N 3.24Å; H176-S179 PolarHBondContact O-N 3.34Å; H176-S179 VanDerWaalsContact O-N 3.17Å; H176-S179 PolarHBondContact O-OG 2.95Å; S179-R183 WeakPolarHBondContact O-CB 3.4Å; S179-R183 PolarHBondContact O-N 3.34Å
180L84.1Confident84.9Confident49 Ų4970.3 Ų70.326%0.25733%0.33SS..Hα-helixtrans-70.2-46.1176.8-173.464.5000111.3H176 F177 F178 R183 Y184H176-L180 WeakPolarHBondContact O-CB 3.42Å; H176-L180 PolarHBondContact O-N 3.43Å; F177-L180 WeakPolarHBondContact O-CB 3.13Å; F177-L180 PolarHBondContact O-N 3.42Å; F178-L180 PolarHBondContact O-N 3.02Å; L180-R183 PolarHBondContact O-N 2.77Å; L180-Y184 HydrophobicContact CD1-CD2 4Å; L180-Y184 HydrophobicContact CD1-CE2 3.44Å; L180-Y184 VanDerWaalsContact CD1-CE2 3.44Å; L180-Y184 HydrophobicContact CD2-CE2 3.99Å; L180-Y184 HydrophobicContact CG-CD2 3.78Å; L180-Y184 HydrophobicContact CG-CE2 3.44Å; L180-Y184 VanDerWaalsContact CG-CE2 3.44Å; L180-Y184 WeakPolarHBondContact O-CD2 3.34Å; L180-Y184 PolarHBondContact O-N 3.11Å
181V82.2Confident85Confident31 Ų3170 Ų7019%0.18833%0.327CS..Hα-helixtrans-59-48.3174.6174.80000111.1F177 F178 R183 Y184 E185F177-V181 HydrophobicContact CD1-CG2 4.24Å; F177-V181 HydrophobicContact CE1-CG2 3.82Å; F177-V181 HydrophobicContact CE2-CG2 4.42Å; F177-V181 HydrophobicContact CZ-CG2 3.92Å; F177-V181 WeakPolarHBondContact O-CG2 3.12Å; F177-V181 PolarHBondContact O-N 3.22Å; F178-V181 PolarHBondContact O-N 2.96Å; V181-R183 VanDerWaalsContact C-N 3.3Å; V181-R183 PolarHBondContact O-N 3.4Å; V181-Y184 PolarHBondContact O-N 3.17Å; V181-E185 HydrophobicContact CG1-CG 4.37Å; V181-E185 PolarHBondContact O-N 2.81Å
182N78.7Confident85.1Confident48 Ų4879.4 Ų79.426%0.25736%0.364SS..Hα-helixtrans-61.1-38.9179-76.2-27.1000112.1F178 N186F178-N182 WeakPolarHBondContact O-CB 3.47Å; F178-N182 PolarHBondContact O-N 2.82Å; F178-N182 PolarHBondContact O-ND2 2.78Å; N182-N186 WeakPolarHBondContact O-CB 3.45Å; N182-N186 VanDerWaalsContact O-CG 3.29Å; N182-N186 PolarHBondContact O-N 3.39Å; N182-N186 PolarHBondContact O-ND2 3.47Å; N182-N186 VanDerWaalsContact O-ND2 3.15Å
183R79Confident85.4Confident132 Ų13278.2 Ų78.250%0.49836%0.356SS..Hα-helixtrans-64.2-47.6175.2-171.7177.970.3-167.11.5110.9S179 L180 V181 E185 N186 E187S179-R183 WeakPolarHBondContact O-CB 3.4Å; S179-R183 PolarHBondContact O-N 3.34Å; L180-R183 PolarHBondContact O-N 2.77Å; V181-R183 VanDerWaalsContact C-N 3.3Å; V181-R183 PolarHBondContact O-N 3.4Å; R183-E185 VanDerWaalsContact C-N 3.35Å; R183-E185 PolarHBondContact O-N 2.98Å; R183-N186 PolarHBondContact O-N 3.07Å; R183-E187 HydrophobicContact CG-CG 4.46Å; R183-E187 WeakPolarHBondContact CG-OE1 3.48Å; R183-E187 IonicContact NE-OE1 2.84Å; R183-E187 WeakPolarHBondContact O-CB 3.1Å; R183-E187 WeakPolarHBondContact O-CG 3.29Å; R183-E187 PolarHBondContact O-N 2.66Å
184Y81.2Confident85.6Confident138 Ų13874 Ų7454%0.54133%0.334SS..Hα-helixtrans-60.7-41.9176.4-80.3-58.5000112.5L180 V181 N186 E187 D188L180-Y184 HydrophobicContact CD1-CD2 4Å; L180-Y184 HydrophobicContact CD1-CE2 3.44Å; L180-Y184 VanDerWaalsContact CD1-CE2 3.44Å; L180-Y184 HydrophobicContact CD2-CE2 3.99Å; L180-Y184 HydrophobicContact CG-CD2 3.78Å; L180-Y184 HydrophobicContact CG-CE2 3.44Å; L180-Y184 VanDerWaalsContact CG-CE2 3.44Å; L180-Y184 WeakPolarHBondContact O-CD2 3.34Å; L180-Y184 PolarHBondContact O-N 3.11Å; V181-Y184 PolarHBondContact O-N 3.17Å; Y184-N186 VanDerWaalsContact C-N 3.35Å; Y184-N186 PolarHBondContact O-N 3.24Å; Y184-E187 PolarHBondContact O-N 3.31Å; Y184-D188 VanDerWaalsContact O-CB 3.24Å; Y184-D188 WeakPolarHBondContact O-CB 2.99Å; Y184-D188 PolarHBondContact O-N 2.99Å
185E79.7Confident86Confident45 Ų4575 Ų7521%0.2135%0.349CS..Hα-helixtrans-64.3-39.1176.2-77.6-157.5-164.900112.8Y24 V181 R183 D188 K189Y24-E185 PolarHBondContact OH-OE1 3.44Å; V181-E185 HydrophobicContact CG1-CG 4.37Å; V181-E185 PolarHBondContact O-N 2.81Å; R183-E185 VanDerWaalsContact C-N 3.35Å; R183-E185 PolarHBondContact O-N 2.98Å; E185-D188 PolarHBondContact O-N 3.47Å; E185-K189 WeakPolarHBondContact O-CB 3.4Å; E185-K189 WeakPolarHBondContact O-CD 3.34Å; E185-K189 VanDerWaalsContact O-CG 3.24Å; E185-K189 WeakPolarHBondContact O-CG 3.37Å; E185-K189 PolarHBondContact O-N 3.2Å; E185-K189 VanDerWaalsContact O-N 3.11Å; E185-K189 IonicContact OE2-NZ 3.88Å; E185-K189 PolarHBondContact OE2-NZ 3.27Å
186N79.4Confident86.6Confident91 Ų9169.7 Ų69.749%0.48733%0.33SS..Hα-helixtrans-69.9-43178.2-75.5-32.3000111.4N182 R183 Y184 D188 K189 Y190N182-N186 WeakPolarHBondContact O-CB 3.45Å; N182-N186 VanDerWaalsContact O-CG 3.29Å; N182-N186 PolarHBondContact O-N 3.39Å; N182-N186 PolarHBondContact O-ND2 3.47Å; N182-N186 VanDerWaalsContact O-ND2 3.15Å; R183-N186 PolarHBondContact O-N 3.07Å; Y184-N186 VanDerWaalsContact C-N 3.35Å; Y184-N186 PolarHBondContact O-N 3.24Å; N186-D188 VanDerWaalsContact C-N 3.29Å; N186-D188 PolarHBondContact O-N 3.06Å; N186-K189 PolarHBondContact O-N 2.64Å; N186-Y190 HydrophobicContact CB-CD2 4.44Å; N186-Y190 WeakPolarHBondContact O-CD2 3.27Å; N186-Y190 PolarHBondContact O-N 3.49Å
187E82.1Confident87.1Confident115 Ų11564.4 Ų64.454%0.53731%0.307SS..Hα-helixtrans-65.4-32.8174.5-71.7173.3-172.200111.8R183 Y184 K189 N198R183-E187 HydrophobicContact CG-CG 4.46Å; R183-E187 WeakPolarHBondContact CG-OE1 3.48Å; R183-E187 IonicContact NE-OE1 2.84Å; R183-E187 WeakPolarHBondContact O-CB 3.1Å; R183-E187 WeakPolarHBondContact O-CG 3.29Å; R183-E187 PolarHBondContact O-N 2.66Å; Y184-E187 PolarHBondContact O-N 3.31Å; E187-K189 VanDerWaalsContact C-N 3.31Å; E187-K189 PolarHBondContact O-N 2.95Å; E187-N198 PolarHBondContact O-ND2 3.02Å
188D85Confident87.6Confident48 Ų4859.6 Ų59.626%0.25729%0.287SS..Hα-helixtrans-70.6-26.9174.9-169.963.1000112.5Y184 E185 N186 N198 K200 R204Y184-D188 VanDerWaalsContact O-CB 3.24Å; Y184-D188 WeakPolarHBondContact O-CB 2.99Å; Y184-D188 PolarHBondContact O-N 2.99Å; E185-D188 PolarHBondContact O-N 3.47Å; N186-D188 VanDerWaalsContact C-N 3.29Å; N186-D188 PolarHBondContact O-N 3.06Å; D188-N198 PolarHBondContact O-ND2 2.91Å; D188-N198 PolarHBondContact O-OD1 2.93Å; D188-K200 WeakPolarHBondContact OD1-CD 3.01Å; D188-K200 IonicContact OD1-NZ 2.86Å; D188-K200 PolarHBondContact OD1-NZ 2.92Å; D188-R204 IonicContact OD2-CZ 3.96Å; D188-R204 IonicContact OD2-NH1 3.89Å; D188-R204 IonicContact OD2-NH2 2.95Å; D188-R204 PolarHBondContact OD2-NH2 3.14Å
189K91.1Very high88.3Confident53 Ų5361.5 Ų61.523%0.2330%0.301CS..Hα-helixtrans-100.9-35.9-174.6-70.6169.2-174161.40114.3E185 N186 E187 G197 N198 E201E185-K189 WeakPolarHBondContact O-CB 3.4Å; E185-K189 WeakPolarHBondContact O-CD 3.34Å; E185-K189 VanDerWaalsContact O-CG 3.24Å; E185-K189 WeakPolarHBondContact O-CG 3.37Å; E185-K189 PolarHBondContact O-N 3.2Å; E185-K189 VanDerWaalsContact O-N 3.11Å; E185-K189 IonicContact OE2-NZ 3.88Å; E185-K189 PolarHBondContact OE2-NZ 3.27Å; N186-K189 PolarHBondContact O-N 2.64Å; E187-K189 VanDerWaalsContact C-N 3.31Å; E187-K189 PolarHBondContact O-N 2.95Å; K189-G197 CarbonylContact O-C 3.49Å; K189-G197 VanDerWaalsContact O-CA 3.32Å; K189-G197 WeakPolarHBondContact O-CA 3.37Å; K189-N198 PolarHBondContact O-N 3.46Å; K189-E201 HydrophobicContact CB-CG 4.39Å; K189-E201 WeakPolarHBondContact O-CB 3.28Å
190Y94.5Very high89Confident96 Ų9664.7 Ų64.738%0.37631%0.308SS..BIsolated β-bridgetrans-119.2144.8-168.3-56.2-73.7000112.9N186 L196N186-Y190 HydrophobicContact CB-CD2 4.44Å; N186-Y190 WeakPolarHBondContact O-CD2 3.27Å; N186-Y190 PolarHBondContact O-N 3.49Å; Y190-L196 CarbonylContact C-O 3.58Å; Y190-L196 WeakPolarHBondContact CA-O 3.39Å; Y190-L196 WeakPolarHBondContact CB-O 3.48Å
191D95Very high89.5Confident23 Ų2363.3 Ų63.312%0.12330%0.3CS..  trans-72.4122.4168.5173.463.7000109.7L193 T194 G195 L196 N198 R265D191-L193 PolarHBondContact O-N 2.98Å; D191-L193 VanDerWaalsContact O-N 3.15Å; D191-L193 PolarHBondContact OD2-N 3.49Å; D191-T194 PolarHBondContact O-N 2.94Å; D191-T194 WeakPolarHBondContact OD2-CB 3.37Å; D191-T194 WeakPolarHBondContact OD2-CG2 3.46Å; D191-T194 PolarHBondContact OD2-N 3.27Å; D191-T194 PolarHBondContact OD2-OG1 3.19Å; D191-G195 WeakPolarHBondContact O-CA 3.32Å; D191-G195 PolarHBondContact O-N 2.91Å; D191-L196 PolarHBondContact N-O 3.28Å; D191-N198 HydrophobicContact CB-CB 4.46Å; D191-R265 HydrophobicContact CB-CB 4.33Å; D191-R265 IonicContact OD1-NH1 3.38Å; D191-R265 PolarHBondContact OD1-NH1 3.37Å; D191-R265 WeakPolarHBondContact OD2-CD 3.39Å; D191-R265 IonicContact OD2-NH1 3.02Å; D191-R265 PolarHBondContact OD2-NH1 2.89Å; D191-R265 VanDerWaalsContact OD2-NH1 3.08Å
192Y91.6Very high90.2Very high201 Ų20161.9 Ų61.979%0.78829%0.291SS*.THydrogen-bonded Turntrans-61.5-27.3-173.775.5-88000113.3
193L95Very high91Very high16 Ų1663.5 Ų63.58%0.08430%0.3CS..THydrogen-bonded Turntrans-83.5-45.8-174.6-17570.9000111.8D191 D243 L246 K247D191-L193 PolarHBondContact O-N 2.98Å; D191-L193 VanDerWaalsContact O-N 3.15Å; D191-L193 PolarHBondContact OD2-N 3.49Å; L193-D243 HydrophobicContact CD1-CB 3.96Å; L193-D243 HydrophobicContact CD2-CB 4.22Å; L193-D243 WeakPolarHBondContact CD2-OD1 3.44Å; L193-L246 HydrophobicContact CD2-CB 3.95Å; L193-L246 HydrophobicContact CD2-CD1 3.6Å; L193-L246 HydrophobicContact CD2-CG 4.46Å; L193-K247 HydrophobicContact CD1-CD 4.5Å; L193-K247 HydrophobicContact CG-CG 4.36Å; L193-K247 WeakPolarHBondContact O-CE 3.08Å; L193-K247 WeakPolarHBondContact O-CG 3.42Å
194T96.1Very high91.8Very high8 Ų862.4 Ų62.45%0.04930%0.296CS..THydrogen-bonded Turntrans-100.8-19.3-171.761.40000114D191 L196 L246 S250 F271D191-T194 PolarHBondContact O-N 2.94Å; D191-T194 WeakPolarHBondContact OD2-CB 3.37Å; D191-T194 WeakPolarHBondContact OD2-CG2 3.46Å; D191-T194 PolarHBondContact OD2-N 3.27Å; D191-T194 PolarHBondContact OD2-OG1 3.19Å; T194-L196 PolarHBondContact O-N 3.41Å; T194-L196 PolarHBondContact OG1-N 3.43Å; T194-L246 HydrophobicContact CG2-CB 4.13Å; T194-S250 PolarHBondContact O-OG 2.85Å; T194-F271 HydrophobicContact CG2-CE1 4.18Å; T194-F271 HydrophobicContact CG2-CZ 4.32Å
195G94.1Very high92.5Very high43 Ų4356.6 Ų56.644%0.44327%0.274SS..  trans68.714.2-173.600000114.1D191D191-G195 WeakPolarHBondContact O-CA 3.32Å; D191-G195 PolarHBondContact O-N 2.91Å
196L96.6Very high93.3Very high9 Ų954.8 Ų54.85%0.04727%0.265CS..SBendtrans-87.6172.1172.7-60.9-173.8000110.6Y190 D191 T194 K254 I263 F271Y190-L196 CarbonylContact C-O 3.58Å; Y190-L196 WeakPolarHBondContact CA-O 3.39Å; Y190-L196 WeakPolarHBondContact CB-O 3.48Å; D191-L196 PolarHBondContact N-O 3.28Å; T194-L196 PolarHBondContact O-N 3.41Å; T194-L196 PolarHBondContact OG1-N 3.43Å; L196-K254 VanDerWaalsContact CD2-CE 3.45Å; L196-I263 HydrophobicContact CD1-CB 4.2Å; L196-I263 HydrophobicContact CD1-CG2 3.7Å; L196-I263 HydrophobicContact CD2-CB 4.14Å; L196-I263 HydrophobicContact CD2-CG2 4.48Å; L196-F271 HydrophobicContact CD1-CD1 3.61Å; L196-F271 HydrophobicContact CD1-CE1 3.68Å
197G96.8Very high94.1Very high6 Ų653.3 Ų53.36%0.06226%0.258CS..BIsolated β-bridgetrans-61.5140.4171.700000110.9K189 I263 F264 R265K189-G197 CarbonylContact O-C 3.49Å; K189-G197 VanDerWaalsContact O-CA 3.32Å; K189-G197 WeakPolarHBondContact O-CA 3.37Å; G197-I263 PolarHBondContact N-O 3.48Å; G197-I263 VanDerWaalsContact N-O 3.11Å; G197-F264 CarbonylContact O-C 3.59Å; G197-F264 WeakPolarHBondContact O-CA 3.27Å; G197-F264 WeakPolarHBondContact O-CB 3.39Å; G197-R265 PolarHBondContact O-N 3.26Å
198N96.4Very high94.8Very high21 Ų2153.4 Ų53.411%0.11226%0.258CS..  trans-83.2-178.9175.567.526.1000111.3E187 D188 K189 D191 K200 E201 F202 R265E187-N198 PolarHBondContact O-ND2 3.02Å; D188-N198 PolarHBondContact O-ND2 2.91Å; D188-N198 PolarHBondContact O-OD1 2.93Å; K189-N198 PolarHBondContact O-N 3.46Å; D191-N198 HydrophobicContact CB-CB 4.46Å; N198-K200 VanDerWaalsContact C-N 3.28Å; N198-K200 PolarHBondContact O-N 3.24Å; N198-K200 WeakPolarHBondContact OD1-CA 3.16Å; N198-K200 WeakPolarHBondContact OD1-CB 3.26Å; N198-K200 PolarHBondContact OD1-N 3.49Å; N198-E201 PolarHBondContact O-N 3.41Å; N198-E201 PolarHBondContact OD1-N 2.88Å; N198-F202 WeakPolarHBondContact O-CB 3.23Å; N198-F202 PolarHBondContact O-N 2.83Å; N198-R265 CarbonylContact C-O 3.52Å
199V95.7Very high95.3Very high67 Ų6751.7 Ų51.741%0.40625%0.249SC..Hα-helixtrans-57.1-35.5178.268.90000114.1F202 D203 R265 N266V199-F202 WeakPolarHBondContact O-CB 3.41Å; V199-F202 PolarHBondContact O-N 3.33Å; V199-D203 PolarHBondContact O-N 2.82Å; V199-R265 PolarHBondContact N-O 2.89Å; V199-N266 WeakPolarHBondContact CB-O 3.47Å
200K94.3Very high95.5Very high119 Ų11949.2 Ų49.252%0.51724%0.238SC..Hα-helixtrans-70.5-42179.1-60.8177.4177.5176.30111.5D188 N198 F202 D203 R204D188-K200 WeakPolarHBondContact OD1-CD 3.01Å; D188-K200 IonicContact OD1-NZ 2.86Å; D188-K200 PolarHBondContact OD1-NZ 2.92Å; N198-K200 VanDerWaalsContact C-N 3.28Å; N198-K200 PolarHBondContact O-N 3.24Å; N198-K200 WeakPolarHBondContact OD1-CA 3.16Å; N198-K200 WeakPolarHBondContact OD1-CB 3.26Å; N198-K200 PolarHBondContact OD1-N 3.49Å; K200-F202 VanDerWaalsContact C-N 3.34Å; K200-D203 PolarHBondContact O-N 3.31Å; K200-R204 WeakPolarHBondContact O-CB 3.38Å; K200-R204 PolarHBondContact O-N 3.49Å
201E95.4Very high95.5Very high20 Ų2054.3 Ų54.39%0.09326%0.257CS..Hα-helixtrans-72.3-31.3177.7-175.255.9-163.800111.2K189 N198 R204 H205 K262 F264K189-E201 HydrophobicContact CB-CG 4.39Å; K189-E201 WeakPolarHBondContact O-CB 3.28Å; N198-E201 PolarHBondContact O-N 3.41Å; N198-E201 PolarHBondContact OD1-N 2.88Å; E201-R204 IonicContact OE2-CZ 3.08Å; E201-R204 IonicContact OE2-NE 3.91Å; E201-R204 IonicContact OE2-NH1 3.2Å; E201-R204 PolarHBondContact OE2-NH1 3.33Å; E201-H205 WeakPolarHBondContact O-CB 3.49Å; E201-H205 PolarHBondContact O-N 3.31Å; E201-K262 IonicContact OE1-NZ 3.95Å; E201-K262 PolarHBondContact OE1-NZ 2.67Å; E201-F264 HydrophobicContact CB-CE1 4.46Å; E201-F264 HydrophobicContact CG-CE1 4.05Å
202F97.2Very high95.5Very high0 Ų057.4 Ų57.40%027%0.269CS..Hα-helixtrans-57.7-56167.4167.1-106.4000111.2N198 V199 K200 R204 H205 L206 L222 F264 N266 S272 V274 F330N198-F202 WeakPolarHBondContact O-CB 3.23Å; N198-F202 PolarHBondContact O-N 2.83Å; V199-F202 WeakPolarHBondContact O-CB 3.41Å; V199-F202 PolarHBondContact O-N 3.33Å; K200-F202 VanDerWaalsContact C-N 3.34Å; F202-R204 VanDerWaalsContact C-N 3.32Å; F202-R204 PolarHBondContact O-N 3.32Å; F202-H205 PolarHBondContact O-N 2.9Å; F202-L206 HydrophobicContact CE1-CD2 4.28Å; F202-L206 HydrophobicContact CE2-CB 4.45Å; F202-L206 HydrophobicContact CE2-CD2 4.32Å; F202-L206 HydrophobicContact CZ-CD2 3.77Å; F202-L206 WeakPolarHBondContact O-CB 3.43Å; F202-L206 PolarHBondContact O-N 2.95Å; F202-L222 HydrophobicContact CE2-CD1 3.6Å; F202-L222 HydrophobicContact CZ-CD1 3.96Å; F202-L222 HydrophobicContact CZ-CD2 4.17Å; F202-F264 VanDerWaalsContact CA-CD1 3.41Å; F202-F264 HydrophobicContact CB-CB 3.86Å; F202-F264 HydrophobicContact CB-CD1 3.68Å; F202-F264 HydrophobicContact CB-CD2 4.34Å; F202-F264 HydrophobicContact CB-CE1 4.35Å; F202-F264 HydrophobicContact CB-CG 3.69Å; F202-F264 HydrophobicContact CD2-CB 4.31Å; F202-F264 AromaticContact CD2-CD2 3.81Å; F202-F264 HydrophobicContact CD2-CD2 3.81Å; F202-F264 HydrophobicContact CD2-CE2 4.33Å; F202-F264 AromaticContact CD2-CG 4Å; F202-F264 HydrophobicContact CD2-CG 4Å; F202-F264 HydrophobicContact CG-CB 4.45Å; F202-F264 HydrophobicContact CG-CG 4.33Å; F202-N266 VanDerWaalsContact CD1-ND2 3.31Å; F202-N266 WeakPolarHBondContact CD1-ND2 3.38Å; F202-N266 WeakPolarHBondContact CE1-ND2 3.42Å; F202-S272 WeakPolarHBondContact CD2-OG 3.48Å; F202-S272 VanDerWaalsContact CE2-OG 3.27Å; F202-S272 WeakPolarHBondContact CE2-OG 3.11Å; F202-V274 HydrophobicContact CD2-CG2 4.18Å; F202-V274 HydrophobicContact CE2-CG2 3.89Å; F202-F330 AromaticContact CE1-CD2 3.81Å; F202-F330 HydrophobicContact CE1-CD2 3.81Å; F202-F330 AromaticContact CE1-CE2 3.72Å; F202-F330 HydrophobicContact CE1-CE2 3.72Å; F202-F330 AromaticContact CZ-CD2 3.77Å; F202-F330 HydrophobicContact CZ-CD2 3.77Å; F202-F330 AromaticContact CZ-CE2 3.94Å; F202-F330 HydrophobicContact CZ-CE2 3.94Å
203D95.9Very high95.6Very high82 Ų8247.9 Ų47.944%0.43923%0.232SC..Hα-helixtrans-58.6-45.6-179.5-74.7-22.5000111.4V199 K200 H205 N207V199-D203 PolarHBondContact O-N 2.82Å; K200-D203 PolarHBondContact O-N 3.31Å; D203-H205 PolarHBondContact O-N 2.81Å; D203-N207 WeakPolarHBondContact O-CB 3.5Å; D203-N207 PolarHBondContact O-N 2.76Å; D203-N207 VanDerWaalsContact O-N 3.08Å; D203-N207 PolarHBondContact O-ND2 2.82Å
204R94.9Very high95.7Very high109 Ų10951.5 Ų51.541%0.41125%0.248SC..Hα-helixtrans-59.4-47.1177.3-173.3-174.7-65150.1-3.8111.3D188 K200 E201 F202 N207 E208D188-R204 IonicContact OD2-CZ 3.96Å; D188-R204 IonicContact OD2-NH1 3.89Å; D188-R204 IonicContact OD2-NH2 2.95Å; D188-R204 PolarHBondContact OD2-NH2 3.14Å; K200-R204 WeakPolarHBondContact O-CB 3.38Å; K200-R204 PolarHBondContact O-N 3.49Å; E201-R204 IonicContact OE2-CZ 3.08Å; E201-R204 IonicContact OE2-NE 3.91Å; E201-R204 IonicContact OE2-NH1 3.2Å; E201-R204 PolarHBondContact OE2-NH1 3.33Å; F202-R204 VanDerWaalsContact C-N 3.32Å; F202-R204 PolarHBondContact O-N 3.32Å; R204-N207 PolarHBondContact O-N 3.02Å; R204-E208 PolarHBondContact O-N 3.46Å
205H95.8Very high95.6Very high17 Ų1759.5 Ų59.58%0.07928%0.283CS..Hα-helixtrans-71.3-41.2-176.9-170.961.8000112.5E201 F202 D203 N207 E208 I209 F264E201-H205 WeakPolarHBondContact O-CB 3.49Å; E201-H205 PolarHBondContact O-N 3.31Å; F202-H205 PolarHBondContact O-N 2.9Å; D203-H205 PolarHBondContact O-N 2.81Å; H205-N207 VanDerWaalsContact C-N 3.29Å; H205-N207 PolarHBondContact O-N 3.45Å; H205-E208 IonicContact ND1-OE2 3.01Å; H205-E208 PolarHBondContact O-N 3.38Å; H205-I209 VanDerWaalsContact CE1-CG1 3.49Å; H205-I209 WeakPolarHBondContact CE1-CG1 3.46Å; H205-I209 WeakPolarHBondContact O-CB 3.4Å; H205-I209 WeakPolarHBondContact O-CG1 3.31Å; H205-I209 PolarHBondContact O-N 3.26Å; H205-F264 HydrophobicContact CB-CE1 4.07Å; H205-F264 HydrophobicContact CB-CZ 3.65Å; H205-F264 AromaticContact CD2-CE2 3.86Å; H205-F264 AromaticContact CD2-CZ 3.41Å; H205-F264 VanDerWaalsContact CD2-CZ 3.41Å; H205-F264 WeakPolarHBondContact CD2-CZ 3.15Å; H205-F264 AromaticContact CG-CZ 3.72Å
206L96.9Very high95.7Very high6 Ų661.5 Ų61.53%0.03128%0.281CS..Hα-helixtrans-60.2-41.9175.8-178.660.9000110.9F202 S210 I220 V274 Q326 V329F202-L206 HydrophobicContact CE1-CD2 4.28Å; F202-L206 HydrophobicContact CE2-CB 4.45Å; F202-L206 HydrophobicContact CE2-CD2 4.32Å; F202-L206 HydrophobicContact CZ-CD2 3.77Å; F202-L206 WeakPolarHBondContact O-CB 3.43Å; F202-L206 PolarHBondContact O-N 2.95Å; L206-S210 VanDerWaalsContact O-CB 3.22Å; L206-S210 WeakPolarHBondContact O-CB 3.32Å; L206-S210 PolarHBondContact O-N 2.85Å; L206-S210 PolarHBondContact O-OG 3.04Å; L206-I220 HydrophobicContact CD1-CD1 3.93Å; L206-V274 HydrophobicContact CB-CG2 4.31Å; L206-V274 HydrophobicContact CD1-CG1 3.94Å; L206-V274 HydrophobicContact CD1-CG2 4.09Å; L206-Q326 HydrophobicContact CD2-CB 4.06Å; L206-Q326 HydrophobicContact CG-CB 4.01Å; L206-V329 HydrophobicContact CD1-CG1 4.04Å; L206-V329 HydrophobicContact CD2-CG1 4.44Å
207N95.8Very high95.6Very high61 Ų6168 Ų6833%0.32631%0.31SS..Hα-helixtrans-62.7-44.8174.9-75.4-42.6000112.5D203 R204 H205 R211 Q326D203-N207 WeakPolarHBondContact O-CB 3.5Å; D203-N207 PolarHBondContact O-N 2.76Å; D203-N207 VanDerWaalsContact O-N 3.08Å; D203-N207 PolarHBondContact O-ND2 2.82Å; R204-N207 PolarHBondContact O-N 3.02Å; H205-N207 VanDerWaalsContact C-N 3.29Å; H205-N207 PolarHBondContact O-N 3.45Å; N207-R211 WeakPolarHBondContact O-CG 3.19Å; N207-R211 PolarHBondContact O-N 2.98Å; N207-R211 VanDerWaalsContact O-N 3.11Å; N207-Q326 WeakPolarHBondContact OD1-CG 3.37Å; N207-Q326 PolarHBondContact OD1-NE2 3.44Å; N207-Q326 PolarHBondContact OD1-OE1 2.96Å
208E95.8Very high95.6Very high116 Ų11669.6 Ų69.654%0.54232%0.316SS..Hα-helixtrans-61.8-50178.1-178.6-177.8-167.800111.5R204 H205 R211 K212R204-E208 PolarHBondContact O-N 3.46Å; H205-E208 IonicContact ND1-OE2 3.01Å; H205-E208 PolarHBondContact O-N 3.38Å; E208-R211 PolarHBondContact O-N 2.93Å; E208-K212 WeakPolarHBondContact O-CB 3.47Å; E208-K212 PolarHBondContact O-N 3.2Å
209I95.5Very high95.6Very high12 Ų1269.1 Ų69.16%0.06231%0.314CS..Hα-helixtrans-66.8-39.2-179.1-65.2-59.7000111.3H205 R211 K212 A213 I220 V274 H276H205-I209 VanDerWaalsContact CE1-CG1 3.49Å; H205-I209 WeakPolarHBondContact CE1-CG1 3.46Å; H205-I209 WeakPolarHBondContact O-CB 3.4Å; H205-I209 WeakPolarHBondContact O-CG1 3.31Å; H205-I209 PolarHBondContact O-N 3.26Å; I209-R211 PolarHBondContact O-N 3.48Å; I209-K212 PolarHBondContact O-N 3.09Å; I209-A213 VanDerWaalsContact O-CB 3.26Å; I209-A213 WeakPolarHBondContact O-CB 3.3Å; I209-A213 PolarHBondContact O-N 3.15Å; I209-I220 HydrophobicContact CB-CD1 4.37Å; I209-I220 HydrophobicContact CG2-CD1 3.72Å; I209-I220 HydrophobicContact CG2-CG1 4.09Å; I209-V274 HydrophobicContact CB-CG1 4.06Å; I209-V274 HydrophobicContact CG1-CG1 4.27Å; I209-V274 HydrophobicContact CG2-CG1 3.92Å; I209-H276 HydrophobicContact CG2-CB 3.7Å
210S95.3Very high95.6Very high2 Ų265.9 Ų65.91%0.01430%0.295CS..Hα-helixtrans-60.3-46176-60.40000111.4L206 K212 A213 E214 I220 K324L206-S210 VanDerWaalsContact O-CB 3.22Å; L206-S210 WeakPolarHBondContact O-CB 3.32Å; L206-S210 PolarHBondContact O-N 2.85Å; L206-S210 PolarHBondContact O-OG 3.04Å; S210-K212 VanDerWaalsContact C-N 3.35Å; S210-K212 PolarHBondContact O-N 2.91Å; S210-A213 PolarHBondContact O-N 3.09Å; S210-E214 WeakPolarHBondContact O-CB 3.38Å; S210-E214 PolarHBondContact O-N 3.38Å; S210-I220 WeakPolarHBondContact OG-CD1 3.42Å; S210-K324 WeakPolarHBondContact CB-O 3.33Å; S210-K324 WeakPolarHBondContact O-CB 3.42Å
211R95.5Very high95.7Very high202 Ų20260.3 Ų60.376%0.76227%0.271SS*.Hα-helixtrans-62.9-39.9175.4-77.9-179.953.6171.7-4.3112.9N207 E208 I209 K215N207-R211 WeakPolarHBondContact O-CG 3.19Å; N207-R211 PolarHBondContact O-N 2.98Å; N207-R211 VanDerWaalsContact O-N 3.11Å; E208-R211 PolarHBondContact O-N 2.93Å; I209-R211 PolarHBondContact O-N 3.48Å; R211-K215 PolarHBondContact O-N 3.5Å
212K94.9Very high95.8Very high89 Ų8959.3 Ų59.339%0.38727%0.266SS..Hα-helixtrans-65.5-49178-175.9-176.7174.1-172.80110.7E208 I209 S210 E214 K215 E216E208-K212 WeakPolarHBondContact O-CB 3.47Å; E208-K212 PolarHBondContact O-N 3.2Å; I209-K212 PolarHBondContact O-N 3.09Å; S210-K212 VanDerWaalsContact C-N 3.35Å; S210-K212 PolarHBondContact O-N 2.91Å; K212-E214 VanDerWaalsContact C-N 3.31Å; K212-E214 PolarHBondContact O-N 3.32Å; K212-K215 PolarHBondContact O-N 3.22Å; K212-E216 WeakPolarHBondContact CE-OE1 3.22Å; K212-E216 WeakPolarHBondContact CE-OE2 3.45Å; K212-E216 WeakPolarHBondContact CG-OE1 3.42Å; K212-E216 WeakPolarHBondContact O-CB 3.35Å; K212-E216 WeakPolarHBondContact O-CG 3.31Å; K212-E216 PolarHBondContact O-N 3.42Å
213A94.7Very high95.8Very high1 Ų159.3 Ų59.31%0.00827%0.266CS..Hα-helixtrans-61.2-38.617900000112.2I209 S210 E216 H217 Q218 I220 K324I209-A213 VanDerWaalsContact O-CB 3.26Å; I209-A213 WeakPolarHBondContact O-CB 3.3Å; I209-A213 PolarHBondContact O-N 3.15Å; S210-A213 PolarHBondContact O-N 3.09Å; A213-E216 PolarHBondContact O-N 3.44Å; A213-H217 PolarHBondContact O-N 2.87Å; A213-Q218 PolarHBondContact O-N 2.97Å; A213-I220 HydrophobicContact CB-CB 4.46Å; A213-K324 HydrophobicContact CB-CD 4.35Å; A213-K324 HydrophobicContact CB-CG 4.12Å
214E95.7Very high96Very high91 Ų9156.1 Ų56.143%0.42525%0.249SC..Hα-helixtrans-60.8-48.5174.1-174.672.8-162.500111.1S210 K212 E216 H217 K324S210-E214 WeakPolarHBondContact O-CB 3.38Å; S210-E214 PolarHBondContact O-N 3.38Å; K212-E214 VanDerWaalsContact C-N 3.31Å; K212-E214 PolarHBondContact O-N 3.32Å; E214-E216 VanDerWaalsContact C-N 3.31Å; E214-E216 PolarHBondContact O-N 2.95Å; E214-H217 PolarHBondContact O-N 2.94Å; E214-K324 HydrophobicContact CB-CB 4.1Å; E214-K324 HydrophobicContact CB-CG 3.97Å; E214-K324 WeakPolarHBondContact OE2-CB 3.42Å; E214-K324 VanDerWaalsContact OE2-CG 3.26Å; E214-K324 WeakPolarHBondContact OE2-CG 3.2Å; E214-K324 PolarHBondContact OE2-N 2.95Å
215K95.5Very high96.1Very high177 Ų17751 Ų5177%0.7723%0.23SC*.Hα-helixtrans-65.6-34.6-179.5-175.7-175.4175-170.20112.5R211 K212R211-K215 PolarHBondContact O-N 3.5Å; K212-K215 PolarHBondContact O-N 3.22Å
216E95.9Very high96.2Very high85 Ų8550.4 Ų50.440%0.39723%0.227SC..Hα-helixtrans-94.81.7-175-66.8179.4-166.400113.4K212 A213 E214 Q218K212-E216 WeakPolarHBondContact CE-OE1 3.22Å; K212-E216 WeakPolarHBondContact CE-OE2 3.45Å; K212-E216 WeakPolarHBondContact CG-OE1 3.42Å; K212-E216 WeakPolarHBondContact O-CB 3.35Å; K212-E216 WeakPolarHBondContact O-CG 3.31Å; K212-E216 PolarHBondContact O-N 3.42Å; A213-E216 PolarHBondContact O-N 3.44Å; E214-E216 VanDerWaalsContact C-N 3.31Å; E214-E216 PolarHBondContact O-N 2.95Å; E216-Q218 VanDerWaalsContact C-N 3.29Å; E216-Q218 HydrophobicContact CB-CG 4Å; E216-Q218 PolarHBondContact O-N 2.8Å; E216-Q218 PolarHBondContact OE2-NE2 3.45Å; E216-Q218 PolarHBondContact OE2-OE1 3.36Å
217H94.6Very high96.3Very high145 Ų14550.2 Ų50.267%0.67123%0.226SC*.THydrogen-bonded Turntrans49.848.7-173.4-58.8-69000112.4A213 E214 D320A213-H217 PolarHBondContact O-N 2.87Å; E214-H217 PolarHBondContact O-N 2.94Å; H217-D320 VanDerWaalsContact O-CB 3.3Å; H217-D320 WeakPolarHBondContact O-CB 3.36Å
218Q96Very high96.4Very high40 Ų4047.8 Ų47.819%0.18721%0.213CC..  trans-115.8154.1-179.1-73.1171.86.500110.8A213 E216 N277 K324A213-Q218 PolarHBondContact O-N 2.97Å; E216-Q218 VanDerWaalsContact C-N 3.29Å; E216-Q218 HydrophobicContact CB-CG 4Å; E216-Q218 PolarHBondContact O-N 2.8Å; E216-Q218 PolarHBondContact OE2-NE2 3.45Å; E216-Q218 PolarHBondContact OE2-OE1 3.36Å; Q218-N277 HydrophobicContact CB-CB 4.24Å; Q218-N277 HydrophobicContact CG-CB 4.21Å; Q218-K324 WeakPolarHBondContact O-CE 3.39Å
219S95.5Very high96.3Very high10 Ų1043.7 Ų43.77%0.0720%0.202CC..  trans-67.7157173.660.10000113.3N277 Y278 Y317 L318S219-N277 PolarHBondContact O-N 3.41Å; S219-Y278 WeakPolarHBondContact CB-O 3.37Å; S219-Y278 PolarHBondContact OG-N 3.29Å; S219-Y278 VanDerWaalsContact OG-N 3.16Å; S219-Y278 PolarHBondContact OG-O 3.14Å; S219-Y317 WeakPolarHBondContact CB-OH 3.49Å; S219-Y317 PolarHBondContact OG-OH 3.48Å; S219-L318 WeakPolarHBondContact CA-O 3.47Å; S219-L318 WeakPolarHBondContact CB-O 3.39Å
220I96.2Very high96.3Very high0 Ų043.5 Ų43.50%020%0.201CC..EExtended strand (participates in β ladder)trans-131.9139.4167.4-167.5177.8000109.5L206 I209 S210 A213 V274 I275 L318 K324 V329L206-I220 HydrophobicContact CD1-CD1 3.93Å; I209-I220 HydrophobicContact CB-CD1 4.37Å; I209-I220 HydrophobicContact CG2-CD1 3.72Å; I209-I220 HydrophobicContact CG2-CG1 4.09Å; S210-I220 WeakPolarHBondContact OG-CD1 3.42Å; A213-I220 HydrophobicContact CB-CB 4.46Å; I220-V274 HydrophobicContact CD1-CG1 4.19Å; I220-V274 HydrophobicContact CG1-CG1 4.39Å; I220-I275 WeakPolarHBondContact CA-O 3.29Å; I220-I275 WeakPolarHBondContact CG1-O 3.35Å; I220-L318 HydrophobicContact CG2-CB 3.89Å; I220-L318 HydrophobicContact CG2-CD1 4.06Å; I220-L318 HydrophobicContact CG2-CG 4.26Å; I220-L318 PolarHBondContact N-O 2.92Å; I220-L318 VanDerWaalsContact N-O 3.07Å; I220-L318 PolarHBondContact O-N 2.99Å; I220-K324 HydrophobicContact CG2-CD 3.81Å; I220-V329 HydrophobicContact CG2-CG2 4.5Å
221A96.4Very high96.2Very high1 Ų150 Ų501%0.00823%0.229CC..EExtended strand (participates in β ladder)trans-126.9146.117100000110.6I275 S283 G316 Y317A221-I275 HydrophobicContact CB-CB 4.11Å; A221-I275 PolarHBondContact N-O 2.67Å; A221-I275 PolarHBondContact O-N 3.32Å; A221-S283 WeakPolarHBondContact CB-OG 3.4Å; A221-G316 CarbonylContact C-O 3.58Å; A221-G316 VanDerWaalsContact CA-O 3.23Å; A221-G316 WeakPolarHBondContact CA-O 3.45Å; A221-Y317 HydrophobicContact CB-CD2 3.64Å; A221-Y317 HydrophobicContact CB-CE2 4.18Å
222L97.7Very high96.2Very high0 Ų045.2 Ų45.20%022%0.218CC..EExtended strand (participates in β ladder)trans-121.4122.8172176.565.6000108.7F202 L224 V274 V315 G316 V329 F330 A333F202-L222 HydrophobicContact CE2-CD1 3.6Å; F202-L222 HydrophobicContact CZ-CD1 3.96Å; F202-L222 HydrophobicContact CZ-CD2 4.17Å; L222-L224 HydrophobicContact CD1-CD2 4.26Å; L222-L224 HydrophobicContact CD2-CD2 4.02Å; L222-L224 HydrophobicContact CD2-CG 4.06Å; L222-L224 HydrophobicContact CG-CD2 4.15Å; L222-L224 HydrophobicContact CG-CG 4.19Å; L222-V274 HydrophobicContact CD1-CG2 4.07Å; L222-V315 WeakPolarHBondContact O-CA 3.27Å; L222-G316 PolarHBondContact N-O 2.91Å; L222-G316 PolarHBondContact O-N 3.26Å; L222-V329 HydrophobicContact CB-CG2 3.88Å; L222-F330 HydrophobicContact CD2-CB 4.24Å; L222-F330 HydrophobicContact CD2-CD2 3.9Å; L222-F330 HydrophobicContact CD2-CG 4.43Å; L222-A333 HydrophobicContact CB-CB 4.25Å; L222-A333 HydrophobicContact CD2-CB 3.86Å; L222-A333 HydrophobicContact CG-CB 4.01Å
223L98.3Very high96.2Very high0 Ų041.2 Ų41.20%020%0.202CC..EExtended strand (participates in β ladder)trans-94.1117.7166.2-54.7179.7000107.8I225 S272 V273 I275 L286 A287 I290 I313 V315L223-I225 HydrophobicContact CB-CG1 4.4Å; L223-S272 CarbonylContact O-C 3.45Å; L223-S272 WeakPolarHBondContact O-CA 3.43Å; L223-S272 WeakPolarHBondContact O-CB 3.34Å; L223-V273 HydrophobicContact CB-CB 4.16Å; L223-V273 HydrophobicContact CD1-CB 4.21Å; L223-V273 HydrophobicContact CG-CB 4.44Å; L223-V273 PolarHBondContact N-O 3.19Å; L223-V273 PolarHBondContact O-N 3.43Å; L223-I275 HydrophobicContact CD1-CD1 3.72Å; L223-I275 HydrophobicContact CD2-CD1 4.41Å; L223-I275 HydrophobicContact CG-CD1 3.8Å; L223-L286 HydrophobicContact CD1-CD2 4.22Å; L223-L286 HydrophobicContact CD1-CG 4.22Å; L223-A287 HydrophobicContact CD1-CB 4.45Å; L223-A287 HydrophobicContact CD2-CB 3.82Å; L223-I290 HydrophobicContact CD1-CD1 4.1Å; L223-I313 HydrophobicContact CB-CG2 4.32Å; L223-I313 HydrophobicContact CD2-CG2 4.37Å; L223-V315 HydrophobicContact CD2-CB 4.18Å; L223-V315 HydrophobicContact CD2-CG1 3.94Å; L223-V315 HydrophobicContact CD2-CG2 3.56Å
224L98.2Very high96.2Very high15 Ų1542.5 Ų42.58%0.07921%0.208CC..EExtended strand (participates in β ladder)trans-99.7125.8163.1-68.4-175000108.4L222 I313 G314 F330 A333 D334 V337L222-L224 HydrophobicContact CD1-CD2 4.26Å; L222-L224 HydrophobicContact CD2-CD2 4.02Å; L222-L224 HydrophobicContact CD2-CG 4.06Å; L222-L224 HydrophobicContact CG-CD2 4.15Å; L222-L224 HydrophobicContact CG-CG 4.19Å; L224-I313 CarbonylContact O-C 3.51Å; L224-I313 VanDerWaalsContact O-CA 3.25Å; L224-I313 WeakPolarHBondContact O-CA 3.44Å; L224-I313 WeakPolarHBondContact O-CG2 3.34Å; L224-G314 PolarHBondContact N-O 2.8Å; L224-G314 PolarHBondContact O-N 2.74Å; L224-F330 HydrophobicContact CD1-CE2 4.14Å; L224-F330 HydrophobicContact CD1-CZ 4.22Å; L224-F330 HydrophobicContact CD2-CE2 4.19Å; L224-A333 HydrophobicContact CB-CB 4.25Å; L224-A333 HydrophobicContact CD1-CB 3.78Å; L224-A333 HydrophobicContact CG-CB 3.67Å; L224-D334 HydrophobicContact CD1-CB 3.94Å; L224-V337 HydrophobicContact CB-CG2 3.61Å; L224-V337 WeakPolarHBondContact O-CG2 3.37Å
225I98.5Very high96.2Very high1 Ų143.5 Ų43.51%0.00522%0.216CC..EExtended strand (participates in β ladder)trans-122.3118.7-170.6-54.9166.2000107.4L223 L253 E270 F271 V273 I290 V311 I313L223-I225 HydrophobicContact CB-CG1 4.4Å; I225-L253 HydrophobicContact CD1-CD2 3.89Å; I225-E270 WeakPolarHBondContact O-CA 3.3Å; I225-F271 HydrophobicContact CB-CB 4.19Å; I225-F271 PolarHBondContact N-O 3.09Å; I225-F271 PolarHBondContact O-N 3Å; I225-V273 HydrophobicContact CD1-CG2 4.15Å; I225-I290 HydrophobicContact CD1-CD1 4.3Å; I225-I290 HydrophobicContact CD1-CG2 4.31Å; I225-V311 HydrophobicContact CG2-CB 3.94Å; I225-V311 HydrophobicContact CG2-CG1 3.85Å; I225-V311 HydrophobicContact CG2-CG2 4.28Å; I225-I313 HydrophobicContact CB-CG1 4.41Å; I225-I313 HydrophobicContact CG1-CD1 4.21Å; I225-I313 HydrophobicContact CG1-CG1 4.12Å; I225-I313 HydrophobicContact CG1-CG2 4.09Å; I225-I313 HydrophobicContact CG2-CD1 4.43Å; I225-I313 HydrophobicContact CG2-CG1 4.15Å
226D98.1Very high96.2Very high5 Ų539.7 Ų39.73%0.02721%0.208CC..EExtended strand (participates in β ladder)trans-119.3130.7-178.7-173.5-76.3000110.2D228 V311 S312 V337 K341D226-D228 PolarHBondContact O-N 3.26Å; D226-V311 CarbonylContact O-C 3.56Å; D226-V311 WeakPolarHBondContact O-CA 3.4Å; D226-V311 WeakPolarHBondContact O-CB 3.28Å; D226-S312 PolarHBondContact N-O 3.46Å; D226-S312 PolarHBondContact O-N 3.26Å; D226-V337 HydrophobicContact CB-CG1 3.96Å; D226-K341 WeakPolarHBondContact OD1-CE 3.48Å; D226-K341 IonicContact OD1-NZ 3.3Å; D226-K341 PolarHBondContact OD1-NZ 3.25Å; D226-K341 WeakPolarHBondContact OD2-CE 3.35Å; D226-K341 IonicContact OD2-NZ 2.83Å; D226-K341 PolarHBondContact OD2-NZ 3.39Å
227I98Very high96.1Very high1 Ų139 Ų391%0.00520%0.202CC..EExtended strand (participates in β ladder)trans-77.5115.9179-52.2-178.4000109.8G229 F230 V245 L246 M249 E269 F271 L309 V311I227-G229 PolarHBondContact O-N 2.83Å; I227-F230 HydrophobicContact CB-CB 4.11Å; I227-F230 HydrophobicContact CD1-CD2 4.3Å; I227-F230 HydrophobicContact CG2-CB 4.16Å; I227-F230 HydrophobicContact CG2-CD2 4.34Å; I227-F230 PolarHBondContact O-N 3.06Å; I227-V245 HydrophobicContact CD1-CG1 4.24Å; I227-L246 HydrophobicContact CD1-CD2 4.07Å; I227-M249 HydrophobicContact CD1-CB 4.19Å; I227-M249 HydrophobicContact CD1-CE 3.91Å; I227-M249 HydrophobicContact CD1-CG 4Å; I227-M249 HydrophobicContact CG1-CE 3.96Å; I227-E269 HydrophobicContact CB-CB 4.09Å; I227-E269 HydrophobicContact CG1-CB 4.35Å; I227-E269 PolarHBondContact N-O 3.44Å; I227-F271 HydrophobicContact CD1-CE2 3.92Å; I227-F271 HydrophobicContact CG1-CE2 4.36Å; I227-L309 HydrophobicContact CG2-CD1 4.19Å; I227-V311 HydrophobicContact CG1-CG1 4.25Å
228D97.3Very high96Very high10 Ų1034.9 Ų34.95%0.05319%0.19CC..THydrogen-bonded Turntrans-65.3127.4179.2-64.4-44.1000111.1D226 F230 S310 V311 S312 R345 N346D226-D228 PolarHBondContact O-N 3.26Å; D228-F230 VanDerWaalsContact C-N 3.29Å; D228-F230 PolarHBondContact O-N 2.83Å; D228-S310 WeakPolarHBondContact CB-O 3.32Å; D228-S310 WeakPolarHBondContact CB-OG 3.39Å; D228-S310 PolarHBondContact N-O 3.43Å; D228-S310 WeakPolarHBondContact OD2-CB 3.3Å; D228-S310 PolarHBondContact OD2-OG 3.47Å; D228-V311 VanDerWaalsContact OD2-C 3.26Å; D228-V311 PolarHBondContact OD2-N 2.92Å; D228-S312 WeakPolarHBondContact OD1-CB 3.36Å; D228-S312 PolarHBondContact OD1-OG 3.15Å; D228-S312 PolarHBondContact OD2-N 2.85Å; D228-S312 PolarHBondContact OD2-OG 3Å; D228-R345 HydrophobicContact CB-CB 4.44Å; D228-R345 WeakPolarHBondContact OD1-CB 3.33Å; D228-R345 WeakPolarHBondContact OD1-CD 3.43Å; D228-R345 WeakPolarHBondContact OD1-CG 3.44Å; D228-N346 PolarHBondContact OD2-N 3.25Å
229G93.7Very high95.9Very high30 Ų3039.3 Ų39.331%0.30921%0.21SC..THydrogen-bonded Turntrans70.919.3175.800000114.4I227 K231 D232 V233I227-G229 PolarHBondContact O-N 2.83Å; G229-K231 PolarHBondContact O-N 3.49Å; G229-D232 WeakPolarHBondContact O-CB 3.29Å; G229-D232 PolarHBondContact O-N 2.9Å; G229-V233 PolarHBondContact O-N 2.88Å
230F95.9Very high95.9Very high9 Ų946.4 Ų46.44%0.03924%0.24CC..Hα-helixtrans-58.4-34.7-178.9-174.9-107.5000113.7I227 D228 D232 V233 N234 V245 L246 E269I227-F230 HydrophobicContact CB-CB 4.11Å; I227-F230 HydrophobicContact CD1-CD2 4.3Å; I227-F230 HydrophobicContact CG2-CB 4.16Å; I227-F230 HydrophobicContact CG2-CD2 4.34Å; I227-F230 PolarHBondContact O-N 3.06Å; D228-F230 VanDerWaalsContact C-N 3.29Å; D228-F230 PolarHBondContact O-N 2.83Å; F230-D232 VanDerWaalsContact C-N 3.32Å; F230-D232 PolarHBondContact O-N 3.08Å; F230-V233 WeakPolarHBondContact O-CB 3.24Å; F230-V233 PolarHBondContact O-N 3.31Å; F230-N234 WeakPolarHBondContact CE1-ND2 3.5Å; F230-N234 PolarHBondContact O-N 3.42Å; F230-N234 VanDerWaalsContact O-N 3.16Å; F230-V245 HydrophobicContact CD2-CG1 4.23Å; F230-V245 HydrophobicContact CE2-CB 4.26Å; F230-V245 HydrophobicContact CE2-CG1 4.05Å; F230-L246 HydrophobicContact CE1-CD1 4.26Å; F230-L246 HydrophobicContact CE2-CD1 4.25Å; F230-L246 HydrophobicContact CE2-CD2 3.99Å; F230-L246 HydrophobicContact CE2-CG 3.77Å; F230-L246 HydrophobicContact CZ-CD1 3.53Å; F230-L246 HydrophobicContact CZ-CD2 3.9Å; F230-L246 HydrophobicContact CZ-CG 3.58Å; F230-E269 HydrophobicContact CB-CB 3.64Å; F230-E269 HydrophobicContact CB-CG 4.08Å; F230-E269 HydrophobicContact CD1-CB 3.59Å; F230-E269 HydrophobicContact CD1-CG 4.35Å; F230-E269 HydrophobicContact CD2-CB 4.4Å; F230-E269 HydrophobicContact CE1-CB 4.34Å; F230-E269 HydrophobicContact CG-CB 3.62Å; F230-E269 HydrophobicContact CG-CG 4.47Å
231K94.4Very high95.9Very high137 Ų13746.6 Ų46.660%0.59624%0.241SC*.Hα-helixtrans-59.2-43.3173.3-173.9178.9176-175.10112G229 V233 N234 D235G229-K231 PolarHBondContact O-N 3.49Å; K231-V233 PolarHBondContact O-N 3.21Å; K231-N234 PolarHBondContact O-N 3.42Å; K231-N234 VanDerWaalsContact O-N 3.08Å; K231-D235 WeakPolarHBondContact CE-OD2 3.21Å; K231-D235 WeakPolarHBondContact O-CB 3.29Å; K231-D235 VanDerWaalsContact O-CG 3.31Å; K231-D235 PolarHBondContact O-N 3.33Å
232D94.6Very high95.9Very high102 Ų10246.6 Ų46.655%0.54524%0.241SC..Hα-helixtrans-63.2-32.5178.4-55.5-39.7000111.2G229 F230 T236G229-D232 WeakPolarHBondContact O-CB 3.29Å; G229-D232 PolarHBondContact O-N 2.9Å; F230-D232 VanDerWaalsContact C-N 3.32Å; F230-D232 PolarHBondContact O-N 3.08Å; D232-T236 WeakPolarHBondContact O-CB 3.26Å; D232-T236 PolarHBondContact O-N 3.49Å; D232-T236 PolarHBondContact O-OG1 3.48Å
233V94.7Very high95.9Very high6 Ų649.4 Ų49.44%0.03626%0.256CS..Hα-helixtrans-63.8-46.2173.1179.30000111.1G229 F230 K231 Y237 V245 I307 L309G229-V233 PolarHBondContact O-N 2.88Å; F230-V233 WeakPolarHBondContact O-CB 3.24Å; F230-V233 PolarHBondContact O-N 3.31Å; K231-V233 PolarHBondContact O-N 3.21Å; V233-Y237 HydrophobicContact CG1-CD2 4.13Å; V233-Y237 WeakPolarHBondContact O-CB 3.13Å; V233-Y237 PolarHBondContact O-N 2.67Å; V233-V245 HydrophobicContact CG1-CG2 4.13Å; V233-I307 HydrophobicContact CG1-CD1 4.01Å; V233-I307 HydrophobicContact CG2-CD1 3.93Å; V233-L309 HydrophobicContact CG2-CD2 3.72Å
234N94.6Very high95.9Very high28 Ų2850.2 Ų50.215%0.1526%0.263CS..Hα-helixtrans-64.5-44.3178.3-75.8-38.4000111.7F230 K231 S238 G242F230-N234 WeakPolarHBondContact CE1-ND2 3.5Å; F230-N234 PolarHBondContact O-N 3.42Å; F230-N234 VanDerWaalsContact O-N 3.16Å; K231-N234 PolarHBondContact O-N 3.42Å; K231-N234 VanDerWaalsContact O-N 3.08Å; N234-S238 CarbonylContact O-C 3.56Å; N234-S238 VanDerWaalsContact O-CA 3.24Å; N234-S238 WeakPolarHBondContact O-CA 3.49Å; N234-S238 PolarHBondContact O-N 3.11Å; N234-G242 WeakPolarHBondContact OD1-CA 3.48Å
235D95.6Very high95.8Very high111 Ų11149.5 Ų49.559%0.59426%0.259SS*.Hα-helixtrans-70.1-35.1-176.6-68-9.9000111.3K231K231-D235 WeakPolarHBondContact CE-OD2 3.21Å; K231-D235 WeakPolarHBondContact O-CB 3.29Å; K231-D235 VanDerWaalsContact O-CG 3.31Å; K231-D235 PolarHBondContact O-N 3.33Å
236T95.8Very high95.8Very high97 Ų9749.6 Ų49.660%0.59526%0.26SS*.Hα-helixtrans-86-41.8-178.7-52.80000112.9D232D232-T236 WeakPolarHBondContact O-CB 3.26Å; D232-T236 PolarHBondContact O-N 3.49Å; D232-T236 PolarHBondContact O-OG1 3.48Å
237Y94.2Very high95.8Very high70 Ų7054.4 Ų54.428%0.27528%0.28SS..Hα-helixtrans-116.61.8-166.3-56.3-69.4000114.9V233 S241 L301 E305 I307V233-Y237 HydrophobicContact CG1-CD2 4.13Å; V233-Y237 WeakPolarHBondContact O-CB 3.13Å; V233-Y237 PolarHBondContact O-N 2.67Å; Y237-S241 VanDerWaalsContact O-CB 3.29Å; Y237-S241 WeakPolarHBondContact O-CB 3.45Å; Y237-S241 PolarHBondContact O-OG 3.45Å; Y237-L301 HydrophobicContact CD1-CD1 3.9Å; Y237-L301 HydrophobicContact CD2-CD1 3.93Å; Y237-L301 HydrophobicContact CE1-CD1 4.41Å; Y237-L301 HydrophobicContact CE2-CD1 4.44Å; Y237-L301 HydrophobicContact CG-CD1 3.62Å; Y237-E305 WeakPolarHBondContact CD1-OE2 3.39Å; Y237-E305 WeakPolarHBondContact CE1-OE2 3.36Å; Y237-I307 HydrophobicContact CE2-CG2 3.87Å
238S93.2Very high95.8Very high59 Ų5956.9 Ų56.941%0.41329%0.292SS..  trans81.5157.1-172.584.60000115.9N234 K240 S241 G242N234-S238 CarbonylContact O-C 3.56Å; N234-S238 VanDerWaalsContact O-CA 3.24Å; N234-S238 WeakPolarHBondContact O-CA 3.49Å; N234-S238 PolarHBondContact O-N 3.11Å; S238-K240 PolarHBondContact O-N 3.37Å; S238-K240 PolarHBondContact OG-N 3.05Å; S238-S241 VanDerWaalsContact O-CB 3.32Å; S238-S241 WeakPolarHBondContact O-CB 3.4Å; S238-S241 PolarHBondContact O-N 3.26Å; S238-G242 PolarHBondContact O-N 3.16Å; S238-G242 VanDerWaalsContact O-N 3.17Å
239H93.7Very high95.9Very high133 Ų13356.4 Ų56.462%0.61629%0.289SS*.Hα-helixtrans-56.4-32.7174.4-69.6-65.6000114.3S241 G242 D243H239-S241 PolarHBondContact O-N 3.38Å; H239-G242 PolarHBondContact O-N 3.21Å; H239-D243 PolarHBondContact O-N 3.37Å
240K95.5Very high96.1Very high160 Ų16055 Ų5570%0.69628%0.275SS*.Hα-helixtrans-65.1-31176.5-71-173178.8179.60112S238 A244S238-K240 PolarHBondContact O-N 3.37Å; S238-K240 PolarHBondContact OG-N 3.05Å; K240-A244 PolarHBondContact O-N 2.96Å
241S96.2Very high96.1Very high4 Ų459.7 Ų59.73%0.02830%0.297CS..Hα-helixtrans-74.9-40.8174.9-61.70000111Y237 S238 H239 D243 A244 V245Y237-S241 VanDerWaalsContact O-CB 3.29Å; Y237-S241 WeakPolarHBondContact O-CB 3.45Å; Y237-S241 PolarHBondContact O-OG 3.45Å; S238-S241 VanDerWaalsContact O-CB 3.32Å; S238-S241 WeakPolarHBondContact O-CB 3.4Å; S238-S241 PolarHBondContact O-N 3.26Å; H239-S241 PolarHBondContact O-N 3.38Å; S241-D243 VanDerWaalsContact C-N 3.34Å; S241-D243 PolarHBondContact O-N 3.19Å; S241-A244 WeakPolarHBondContact O-CB 3.43Å; S241-A244 PolarHBondContact O-N 2.73Å; S241-A244 VanDerWaalsContact O-N 3.16Å; S241-V245 WeakPolarHBondContact O-CG2 3.37Å; S241-V245 PolarHBondContact O-N 3.21Å
242G96.9Very high96.3Very high0 Ų053.8 Ų53.80%027%0.272CS..Hα-helixtrans-57.9-44.4170.400000112.7N234 S238 H239 A244 V245 L246N234-G242 WeakPolarHBondContact OD1-CA 3.48Å; S238-G242 PolarHBondContact O-N 3.16Å; S238-G242 VanDerWaalsContact O-N 3.17Å; H239-G242 PolarHBondContact O-N 3.21Å; G242-A244 VanDerWaalsContact C-N 3.29Å; G242-A244 PolarHBondContact O-N 2.55Å; G242-V245 WeakPolarHBondContact O-CB 3.36Å; G242-V245 PolarHBondContact O-N 3.49Å; G242-V245 VanDerWaalsContact O-N 3.12Å; G242-L246 WeakPolarHBondContact O-CG 3.33Å; G242-L246 PolarHBondContact O-N 3.4Å
243D97.4Very high96.4Very high59 Ų5949 Ų4932%0.31625%0.246SC..Hα-helixtrans-59.5-39.7174.7-81.3-3.5000112.6L193 H239 S241 L246 K247L193-D243 HydrophobicContact CD1-CB 3.96Å; L193-D243 HydrophobicContact CD2-CB 4.22Å; L193-D243 WeakPolarHBondContact CD2-OD1 3.44Å; H239-D243 PolarHBondContact O-N 3.37Å; S241-D243 VanDerWaalsContact C-N 3.34Å; S241-D243 PolarHBondContact O-N 3.19Å; D243-L246 PolarHBondContact O-N 3.37Å; D243-K247 WeakPolarHBondContact O-CG 3.25Å; D243-K247 PolarHBondContact O-N 3.27Å; D243-K247 VanDerWaalsContact O-N 3.08Å
244A97.1Very high96.6Very high18 Ų1852.7 Ų52.715%0.14926%0.262CS..Hα-helixtrans-67-37175.900000112K240 S241 G242 Q248 P302K240-A244 PolarHBondContact O-N 2.96Å; S241-A244 WeakPolarHBondContact O-CB 3.43Å; S241-A244 PolarHBondContact O-N 2.73Å; S241-A244 VanDerWaalsContact O-N 3.16Å; G242-A244 VanDerWaalsContact C-N 3.29Å; G242-A244 PolarHBondContact O-N 2.55Å; A244-Q248 WeakPolarHBondContact O-CB 3.42Å; A244-Q248 WeakPolarHBondContact O-CG 3.25Å; A244-Q248 PolarHBondContact O-N 3.04Å; A244-Q248 PolarHBondContact O-NE2 3.47Å; A244-P302 HydrophobicContact CB-CG 4.1Å
245V97.6Very high96.7Very high0 Ų057.8 Ų57.80%029%0.289CS..Hα-helixtrans-63.5-47.5173.4165.70000110.7I227 F230 V233 S241 G242 K247 Q248 M249 F299 L301 I307 L309I227-V245 HydrophobicContact CD1-CG1 4.24Å; F230-V245 HydrophobicContact CD2-CG1 4.23Å; F230-V245 HydrophobicContact CE2-CB 4.26Å; F230-V245 HydrophobicContact CE2-CG1 4.05Å; V233-V245 HydrophobicContact CG1-CG2 4.13Å; S241-V245 WeakPolarHBondContact O-CG2 3.37Å; S241-V245 PolarHBondContact O-N 3.21Å; G242-V245 WeakPolarHBondContact O-CB 3.36Å; G242-V245 PolarHBondContact O-N 3.49Å; G242-V245 VanDerWaalsContact O-N 3.12Å; V245-K247 VanDerWaalsContact C-N 3.32Å; V245-K247 PolarHBondContact O-N 3.18Å; V245-Q248 PolarHBondContact O-N 3.18Å; V245-Q248 VanDerWaalsContact O-N 3.15Å; V245-M249 WeakPolarHBondContact O-CB 3.17Å; V245-M249 PolarHBondContact O-N 3.43Å; V245-F299 HydrophobicContact CB-CD1 4.46Å; V245-F299 HydrophobicContact CG1-CD1 4.14Å; V245-F299 HydrophobicContact CG1-CE1 4.35Å; V245-F299 HydrophobicContact CG2-CB 4.28Å; V245-F299 HydrophobicContact CG2-CD1 4.36Å; V245-L301 HydrophobicContact CG2-CD2 3.79Å; V245-I307 HydrophobicContact CG2-CD1 4.08Å; V245-L309 HydrophobicContact CB-CD1 4.38Å; V245-L309 HydrophobicContact CG1-CD1 3.39Å; V245-L309 HydrophobicContact CG2-CD1 4.03Å
246L98.2Very high96.7Very high2 Ų256.8 Ų56.81%0.0128%0.278CS..Hα-helixtrans-61.3-40.1179.8-68.1166.2000112.3L193 T194 I227 F230 G242 D243 M249 S250 F271L193-L246 HydrophobicContact CD2-CB 3.95Å; L193-L246 HydrophobicContact CD2-CD1 3.6Å; L193-L246 HydrophobicContact CD2-CG 4.46Å; T194-L246 HydrophobicContact CG2-CB 4.13Å; I227-L246 HydrophobicContact CD1-CD2 4.07Å; F230-L246 HydrophobicContact CE1-CD1 4.26Å; F230-L246 HydrophobicContact CE2-CD1 4.25Å; F230-L246 HydrophobicContact CE2-CD2 3.99Å; F230-L246 HydrophobicContact CE2-CG 3.77Å; F230-L246 HydrophobicContact CZ-CD1 3.53Å; F230-L246 HydrophobicContact CZ-CD2 3.9Å; F230-L246 HydrophobicContact CZ-CG 3.58Å; G242-L246 WeakPolarHBondContact O-CG 3.33Å; G242-L246 PolarHBondContact O-N 3.4Å; D243-L246 PolarHBondContact O-N 3.37Å; L246-M249 PolarHBondContact O-N 3.04Å; L246-S250 PolarHBondContact O-N 2.93Å; L246-F271 HydrophobicContact CD2-CE2 3.84Å; L246-F271 HydrophobicContact CD2-CZ 3.85Å
247K98Very high96.8Very high106 Ų10652.4 Ų52.446%0.46125%0.251SS..Hα-helixtrans-64.4-42173.8-74.5175.6-177.1175.90112.6L193 D243 V245 S250 Q251L193-K247 HydrophobicContact CD1-CD 4.5Å; L193-K247 HydrophobicContact CG-CG 4.36Å; L193-K247 WeakPolarHBondContact O-CE 3.08Å; L193-K247 WeakPolarHBondContact O-CG 3.42Å; D243-K247 WeakPolarHBondContact O-CG 3.25Å; D243-K247 PolarHBondContact O-N 3.27Å; D243-K247 VanDerWaalsContact O-N 3.08Å; V245-K247 VanDerWaalsContact C-N 3.32Å; V245-K247 PolarHBondContact O-N 3.18Å; K247-S250 PolarHBondContact O-N 3.3Å; K247-S250 PolarHBondContact O-OG 2.86Å; K247-Q251 WeakPolarHBondContact O-CG 3.46Å; K247-Q251 PolarHBondContact O-N 2.76Å
248Q98.1Very high96.9Very high53 Ų5351.2 Ų51.225%0.24825%0.251CS..Hα-helixtrans-69.3-38.8177.3-78171.39100111.4A244 V245 S250 Q251 L252 F299 H300A244-Q248 WeakPolarHBondContact O-CB 3.42Å; A244-Q248 WeakPolarHBondContact O-CG 3.25Å; A244-Q248 PolarHBondContact O-N 3.04Å; A244-Q248 PolarHBondContact O-NE2 3.47Å; V245-Q248 PolarHBondContact O-N 3.18Å; V245-Q248 VanDerWaalsContact O-N 3.15Å; Q248-S250 VanDerWaalsContact C-N 3.33Å; Q248-S250 PolarHBondContact O-N 2.7Å; Q248-Q251 PolarHBondContact O-N 2.94Å; Q248-L252 WeakPolarHBondContact O-CB 3.36Å; Q248-L252 PolarHBondContact O-N 3.34Å; Q248-F299 HydrophobicContact CB-CD1 3.73Å; Q248-F299 HydrophobicContact CB-CE1 4Å; Q248-H300 PolarHBondContact NE2-O 2.95Å
249M98.1Very high96.9Very high0 Ų056.4 Ų56.40%028%0.275CS..Hα-helixtrans-59.1-45.7173.9-174.758.271.300110.5I227 V245 L246 Q251 L252 L253 F271 V294 F299 V311I227-M249 HydrophobicContact CD1-CB 4.19Å; I227-M249 HydrophobicContact CD1-CE 3.91Å; I227-M249 HydrophobicContact CD1-CG 4Å; I227-M249 HydrophobicContact CG1-CE 3.96Å; V245-M249 WeakPolarHBondContact O-CB 3.17Å; V245-M249 PolarHBondContact O-N 3.43Å; L246-M249 PolarHBondContact O-N 3.04Å; M249-Q251 VanDerWaalsContact C-N 3.31Å; M249-Q251 PolarHBondContact O-N 2.96Å; M249-L252 WeakPolarHBondContact O-CB 3.36Å; M249-L252 PolarHBondContact O-N 3.24Å; M249-L252 VanDerWaalsContact O-N 3.15Å; M249-L252 HydrophobicContact SD-CD2 4.48Å; M249-L253 HydrophobicContact CG-CD1 4.2Å; M249-L253 HydrophobicContact CG-CG 4.3Å; M249-L253 VanDerWaalsContact O-CG 3.31Å; M249-L253 WeakPolarHBondContact O-CG 3.22Å; M249-L253 PolarHBondContact O-N 3.4Å; M249-L253 HydrophobicContact SD-CD2 4.42Å; M249-L253 HydrophobicContact SD-CG 4.23Å; M249-F271 HydrophobicContact CB-CE2 4.34Å; M249-F271 HydrophobicContact CB-CZ 4.19Å; M249-F271 HydrophobicContact CG-CD2 4.2Å; M249-F271 HydrophobicContact CG-CE2 3.82Å; M249-F271 HydrophobicContact CG-CZ 4.02Å; M249-V294 HydrophobicContact CE-CB 4.49Å; M249-V294 HydrophobicContact CE-CG1 3.77Å; M249-V294 HydrophobicContact CE-CG2 3.83Å; M249-V294 HydrophobicContact SD-CG2 3.7Å; M249-F299 HydrophobicContact CB-CE1 4.42Å; M249-F299 HydrophobicContact CE-CE1 4.09Å; M249-F299 HydrophobicContact CE-CZ 3.63Å; M249-V311 HydrophobicContact CE-CG1 3.83Å; M249-V311 HydrophobicContact SD-CG1 4.48Å
250S97.7Very high96.9Very high2 Ų255.6 Ų55.61%0.01427%0.271CS..Hα-helixtrans-62.1-37.7179.379.70000113.1T194 L246 K247 Q248 K254T194-S250 PolarHBondContact O-OG 2.85Å; L246-S250 PolarHBondContact O-N 2.93Å; K247-S250 PolarHBondContact O-N 3.3Å; K247-S250 PolarHBondContact O-OG 2.86Å; Q248-S250 VanDerWaalsContact C-N 3.33Å; Q248-S250 PolarHBondContact O-N 2.7Å; S250-K254 WeakPolarHBondContact O-CG 3.46Å; S250-K254 PolarHBondContact O-N 2.85Å
251Q97.6Very high96.8Very high106 Ų10648.4 Ų48.450%0.49524%0.24SC..Hα-helixtrans-69.6-39.8174.3-63.6-60.5-21.800112K247 Q248 M249 K254 N255K247-Q251 WeakPolarHBondContact O-CG 3.46Å; K247-Q251 PolarHBondContact O-N 2.76Å; Q248-Q251 PolarHBondContact O-N 2.94Å; M249-Q251 VanDerWaalsContact C-N 3.31Å; M249-Q251 PolarHBondContact O-N 2.96Å; Q251-K254 PolarHBondContact O-N 3.36Å; Q251-N255 PolarHBondContact O-N 3.27Å; Q251-N255 PolarHBondContact O-ND2 2.89Å
252L97.2Very high96.8Very high14 Ų1452.2 Ų52.27%0.07326%0.256CS..Hα-helixtrans-61-48.3176.1-173.6154000110.7Q248 M249 K254 N255 Y256 V294 S297 F299Q248-L252 WeakPolarHBondContact O-CB 3.36Å; Q248-L252 PolarHBondContact O-N 3.34Å; M249-L252 WeakPolarHBondContact O-CB 3.36Å; M249-L252 PolarHBondContact O-N 3.24Å; M249-L252 VanDerWaalsContact O-N 3.15Å; M249-L252 HydrophobicContact SD-CD2 4.48Å; L252-K254 VanDerWaalsContact C-N 3.29Å; L252-K254 PolarHBondContact O-N 3.46Å; L252-N255 WeakPolarHBondContact O-CB 3.49Å; L252-N255 PolarHBondContact O-N 3.08Å; L252-Y256 HydrophobicContact CD2-CD2 3.73Å; L252-Y256 HydrophobicContact CD2-CE2 3.71Å; L252-Y256 HydrophobicContact CG-CD2 4.34Å; L252-Y256 HydrophobicContact CG-CE2 4.02Å; L252-Y256 VanDerWaalsContact O-CD2 3.29Å; L252-Y256 WeakPolarHBondContact O-CD2 3.28Å; L252-V294 HydrophobicContact CD1-CG2 4.19Å; L252-V294 HydrophobicContact CD2-CG2 3.5Å; L252-V294 VanDerWaalsContact CD2-CG2 3.5Å; L252-S297 VanDerWaalsContact CD1-CB 3.44Å; L252-S297 WeakPolarHBondContact CD1-OG 3.34Å; L252-F299 HydrophobicContact CD1-CZ 4.38Å
253L98.1Very high96.9Very high0 Ų053.1 Ų53.10%026%0.261CS..Hα-helixtrans-58.7-40178.1-66.7177.2000111.9I225 M249 N255 Y256 V257 I263 F271 I290I225-L253 HydrophobicContact CD1-CD2 3.89Å; M249-L253 HydrophobicContact CG-CD1 4.2Å; M249-L253 HydrophobicContact CG-CG 4.3Å; M249-L253 VanDerWaalsContact O-CG 3.31Å; M249-L253 WeakPolarHBondContact O-CG 3.22Å; M249-L253 PolarHBondContact O-N 3.4Å; M249-L253 HydrophobicContact SD-CD2 4.42Å; M249-L253 HydrophobicContact SD-CG 4.23Å; L253-N255 PolarHBondContact O-N 3.04Å; L253-Y256 PolarHBondContact O-N 3.48Å; L253-Y256 VanDerWaalsContact O-N 3.13Å; L253-V257 WeakPolarHBondContact O-CB 3.46Å; L253-V257 WeakPolarHBondContact O-CG2 3.37Å; L253-V257 PolarHBondContact O-N 3.17Å; L253-I263 HydrophobicContact CB-CD1 3.92Å; L253-I263 HydrophobicContact CB-CG2 4.21Å; L253-I263 HydrophobicContact CD1-CG2 3.88Å; L253-F271 HydrophobicContact CD1-CB 3.81Å; L253-F271 HydrophobicContact CD1-CD1 3.67Å; L253-F271 HydrophobicContact CD1-CD2 4.47Å; L253-F271 HydrophobicContact CD1-CE1 4.36Å; L253-F271 HydrophobicContact CD1-CG 3.73Å; L253-I290 HydrophobicContact CD2-CG2 3.52Å
254K97.8Very high96.9Very high85 Ų8550.3 Ų50.337%0.3725%0.246SC..Hα-helixtrans-61-25175.2-73.8174.6-175.81780113.9L196 S250 Q251 L252 I263L196-K254 VanDerWaalsContact CD2-CE 3.45Å; S250-K254 WeakPolarHBondContact O-CG 3.46Å; S250-K254 PolarHBondContact O-N 2.85Å; Q251-K254 PolarHBondContact O-N 3.36Å; L252-K254 VanDerWaalsContact C-N 3.29Å; L252-K254 PolarHBondContact O-N 3.46Å; K254-I263 HydrophobicContact CG-CD1 3.95Å
255N96.7Very high96.9Very high135 Ų13550.8 Ų50.872%0.72224%0.244SC*.Hα-helixtrans-79.5-24.4177.6-64.7-26.5000112.9Q251 L252 L253Q251-N255 PolarHBondContact O-N 3.27Å; Q251-N255 PolarHBondContact O-ND2 2.89Å; L252-N255 WeakPolarHBondContact O-CB 3.49Å; L252-N255 PolarHBondContact O-N 3.08Å; L253-N255 PolarHBondContact O-N 3.04Å
256Y96.6Very high96.7Very high89 Ų8951.9 Ų51.935%0.34925%0.25SC..Hα-helixtrans-101.2-34.3-178.4-70.8-78.8000113.2L252 L253 P258 L286 N289 I290 G293L252-Y256 HydrophobicContact CD2-CD2 3.73Å; L252-Y256 HydrophobicContact CD2-CE2 3.71Å; L252-Y256 HydrophobicContact CG-CD2 4.34Å; L252-Y256 HydrophobicContact CG-CE2 4.02Å; L252-Y256 VanDerWaalsContact O-CD2 3.29Å; L252-Y256 WeakPolarHBondContact O-CD2 3.28Å; L253-Y256 PolarHBondContact O-N 3.48Å; L253-Y256 VanDerWaalsContact O-N 3.13Å; Y256-P258 WeakPolarHBondContact O-CD 3.4Å; Y256-L286 WeakPolarHBondContact O-CD1 3.17Å; Y256-N289 HydrophobicContact CD1-CB 4.21Å; Y256-N289 WeakPolarHBondContact CE1-O 3.15Å; Y256-I290 HydrophobicContact CG-CG1 4.38Å; Y256-G293 VanDerWaalsContact CZ-CA 3.44Å; Y256-G293 WeakPolarHBondContact OH-CA 3.32Å
257V97.3Very high96.2Very high6 Ų653.5 Ų53.54%0.03627%0.266CS..SBendtrans-82.7122.8-177.3179.20000109.9L253 F261 I263 V273 I290L253-V257 WeakPolarHBondContact O-CB 3.46Å; L253-V257 WeakPolarHBondContact O-CG2 3.37Å; L253-V257 PolarHBondContact O-N 3.17Å; V257-F261 HydrophobicContact CG1-CB 3.8Å; V257-F261 HydrophobicContact CG1-CD2 4.47Å; V257-I263 HydrophobicContact CB-CD1 3.79Å; V257-I263 HydrophobicContact CB-CG1 4Å; V257-I263 HydrophobicContact CG1-CD1 4.22Å; V257-I263 HydrophobicContact CG1-CG1 3.88Å; V257-I263 HydrophobicContact CG2-CD1 3.98Å; V257-I263 HydrophobicContact CG2-CG1 4.12Å; V257-V273 HydrophobicContact CG1-CG1 3.85Å; V257-V273 HydrophobicContact CG2-CG1 4.44Å; V257-V273 HydrophobicContact CG2-CG2 3.87Å; V257-I290 HydrophobicContact CG2-CD1 3.93Å
258P95.3Very high95.9Very high44 Ų4450.3 Ų50.329%0.28626%0.263SS..  trans-54.8140.9174.3-27.634.5000113Y256 Q260 F261Y256-P258 WeakPolarHBondContact O-CD 3.4Å; P258-Q260 HydrophobicContact CB-CG 4.17Å; P258-Q260 PolarHBondContact O-N 2.97Å; P258-F261 HydrophobicContact CB-CD2 4.09Å; P258-F261 HydrophobicContact CB-CE2 4.29Å; P258-F261 HydrophobicContact CG-CD2 4.09Å; P258-F261 HydrophobicContact CG-CE2 4.1Å; P258-F261 PolarHBondContact O-N 3.3Å
259N93.5Very high95.7Very high169 Ų16950.5 Ų50.590%0.90426%0.264SS*.THydrogen-bonded Turntrans-55.4-20.2-177.6-72.6-22.2000115.3F261N259-F261 VanDerWaalsContact C-N 3.29Å
260Q93.2Very high95.6Very high115 Ų11554.8 Ų54.854%0.53728%0.284SS..THydrogen-bonded Turntrans-74.1-19.4177.172.2-160.126.500113.1P258 Y278P258-Q260 HydrophobicContact CB-CG 4.17Å; P258-Q260 PolarHBondContact O-N 2.97Å; Q260-Y278 PolarHBondContact NE2-OH 3.21Å
261F95.2Very high95.7Very high10 Ų1054.7 Ų54.74%0.04428%0.284CS..SBendtrans-101.5142.4177.5-54.2-44.2000110.8V257 P258 N259 V273 I275 H276 Y278V257-F261 HydrophobicContact CG1-CB 3.8Å; V257-F261 HydrophobicContact CG1-CD2 4.47Å; P258-F261 HydrophobicContact CB-CD2 4.09Å; P258-F261 HydrophobicContact CB-CE2 4.29Å; P258-F261 HydrophobicContact CG-CD2 4.09Å; P258-F261 HydrophobicContact CG-CE2 4.1Å; P258-F261 PolarHBondContact O-N 3.3Å; N259-F261 VanDerWaalsContact C-N 3.29Å; F261-V273 HydrophobicContact CB-CG1 4.05Å; F261-I275 HydrophobicContact CD2-CG1 4.43Å; F261-I275 HydrophobicContact CE1-CG2 3.95Å; F261-I275 HydrophobicContact CE2-CG2 3.96Å; F261-I275 HydrophobicContact CZ-CG2 3.61Å; F261-H276 AromaticContact CE1-CD2 3.99Å; F261-H276 AromaticContact CE1-NE2 3.99Å; F261-Y278 HydrophobicContact CE2-CD1 4.43Å; F261-Y278 AromaticContact CE2-CE1 3.93Å; F261-Y278 HydrophobicContact CE2-CE1 3.93Å; F261-Y278 HydrophobicContact CE2-CE2 4.09Å; F261-Y278 AromaticContact CE2-CZ 3.75Å; F261-Y278 HydrophobicContact CZ-CD1 4.37Å; F261-Y278 AromaticContact CZ-CD2 3.74Å; F261-Y278 HydrophobicContact CZ-CD2 3.74Å; F261-Y278 HydrophobicContact CZ-CE1 4.08Å; F261-Y278 AromaticContact CZ-CE2 3.45Å; F261-Y278 HydrophobicContact CZ-CE2 3.45Å; F261-Y278 VanDerWaalsContact CZ-CE2 3.45Å; F261-Y278 HydrophobicContact CZ-CG 4.24Å; F261-Y278 AromaticContact CZ-CZ 3.61Å
262K95.5Very high95.7Very high84 Ų8449.7 Ų49.737%0.36526%0.26SS..EExtended strand (participates in β ladder)trans-90.4142.7175.9-69.4-173-179.7175.80110.4E201 F264E201-K262 IonicContact OE1-NZ 3.95Å; E201-K262 PolarHBondContact OE1-NZ 2.67Å; K262-F264 HydrophobicContact CB-CE1 4.15Å; K262-F264 HydrophobicContact CB-CE2 3.58Å; K262-F264 HydrophobicContact CB-CZ 3.31Å; K262-F264 HydrophobicContact CD-CE1 4.31Å; K262-F264 HydrophobicContact CD-CZ 3.88Å; K262-F264 HydrophobicContact CG-CZ 4.27Å; K262-F264 WeakPolarHBondContact O-CE2 3.41Å
263I98.2Very high95.7Very high18 Ų1849 Ų499%0.09226%0.257CS..EExtended strand (participates in β ladder)trans-109.6138174.7-41.6171.3000107.5L196 G197 L253 K254 V257 S272 V273L196-I263 HydrophobicContact CD1-CB 4.2Å; L196-I263 HydrophobicContact CD1-CG2 3.7Å; L196-I263 HydrophobicContact CD2-CB 4.14Å; L196-I263 HydrophobicContact CD2-CG2 4.48Å; G197-I263 PolarHBondContact N-O 3.48Å; G197-I263 VanDerWaalsContact N-O 3.11Å; L253-I263 HydrophobicContact CB-CD1 3.92Å; L253-I263 HydrophobicContact CB-CG2 4.21Å; L253-I263 HydrophobicContact CD1-CG2 3.88Å; K254-I263 HydrophobicContact CG-CD1 3.95Å; V257-I263 HydrophobicContact CB-CD1 3.79Å; V257-I263 HydrophobicContact CB-CG1 4Å; V257-I263 HydrophobicContact CG1-CD1 4.22Å; V257-I263 HydrophobicContact CG1-CG1 3.88Å; V257-I263 HydrophobicContact CG2-CD1 3.98Å; V257-I263 HydrophobicContact CG2-CG1 4.12Å; I263-S272 WeakPolarHBondContact CA-O 3.33Å; I263-V273 HydrophobicContact CG1-CG2 4.44Å; I263-V273 HydrophobicContact CG2-CG2 4.16Å
264F98.3Very high95.7Very high1 Ų149 Ų490%0.00426%0.257CS..EExtended strand (participates in β ladder)trans-126.7157.3-178.9-48.7-93.4000111G197 E201 F202 H205 K262 F271 S272 V274G197-F264 CarbonylContact O-C 3.59Å; G197-F264 WeakPolarHBondContact O-CA 3.27Å; G197-F264 WeakPolarHBondContact O-CB 3.39Å; E201-F264 HydrophobicContact CB-CE1 4.46Å; E201-F264 HydrophobicContact CG-CE1 4.05Å; F202-F264 VanDerWaalsContact CA-CD1 3.41Å; F202-F264 HydrophobicContact CB-CB 3.86Å; F202-F264 HydrophobicContact CB-CD1 3.68Å; F202-F264 HydrophobicContact CB-CD2 4.34Å; F202-F264 HydrophobicContact CB-CE1 4.35Å; F202-F264 HydrophobicContact CB-CG 3.69Å; F202-F264 HydrophobicContact CD2-CB 4.31Å; F202-F264 AromaticContact CD2-CD2 3.81Å; F202-F264 HydrophobicContact CD2-CD2 3.81Å; F202-F264 HydrophobicContact CD2-CE2 4.33Å; F202-F264 AromaticContact CD2-CG 4Å; F202-F264 HydrophobicContact CD2-CG 4Å; F202-F264 HydrophobicContact CG-CB 4.45Å; F202-F264 HydrophobicContact CG-CG 4.33Å; H205-F264 HydrophobicContact CB-CE1 4.07Å; H205-F264 HydrophobicContact CB-CZ 3.65Å; H205-F264 AromaticContact CD2-CE2 3.86Å; H205-F264 AromaticContact CD2-CZ 3.41Å; H205-F264 VanDerWaalsContact CD2-CZ 3.41Å; H205-F264 WeakPolarHBondContact CD2-CZ 3.15Å; H205-F264 AromaticContact CG-CZ 3.72Å; K262-F264 HydrophobicContact CB-CE1 4.15Å; K262-F264 HydrophobicContact CB-CE2 3.58Å; K262-F264 HydrophobicContact CB-CZ 3.31Å; K262-F264 HydrophobicContact CD-CE1 4.31Å; K262-F264 HydrophobicContact CD-CZ 3.88Å; K262-F264 HydrophobicContact CG-CZ 4.27Å; K262-F264 WeakPolarHBondContact O-CE2 3.41Å; F264-F271 CarbonylContact O-C 3.58Å; F264-F271 WeakPolarHBondContact O-CA 3.3Å; F264-F271 WeakPolarHBondContact O-CB 3.46Å; F264-S272 WeakPolarHBondContact CB-OG 3.41Å; F264-S272 PolarHBondContact N-O 2.89Å; F264-S272 PolarHBondContact O-N 3.39Å; F264-V274 HydrophobicContact CE2-CG2 3.98Å
265R97.8Very high95.7Very high28 Ų2845 Ų4511%0.10624%0.239CC..EExtended strand (participates in β ladder)trans-113.3112.7163.9-174.6-176.7175-150.7-3.2107.8D191 G197 N198 V199 G268 E270 F271D191-R265 HydrophobicContact CB-CB 4.33Å; D191-R265 IonicContact OD1-NH1 3.38Å; D191-R265 PolarHBondContact OD1-NH1 3.37Å; D191-R265 WeakPolarHBondContact OD2-CD 3.39Å; D191-R265 IonicContact OD2-NH1 3.02Å; D191-R265 PolarHBondContact OD2-NH1 2.89Å; D191-R265 VanDerWaalsContact OD2-NH1 3.08Å; G197-R265 PolarHBondContact O-N 3.26Å; N198-R265 CarbonylContact C-O 3.52Å; V199-R265 PolarHBondContact N-O 2.89Å; R265-G268 PolarHBondContact NE-O 3Å; R265-G268 PolarHBondContact NH2-O 3.29Å; R265-E270 CarbonylContact C-O 3.47Å; R265-E270 WeakPolarHBondContact CA-O 3.06Å; R265-F271 HydrophobicContact CB-CD1 4.1Å; R265-F271 HydrophobicContact CB-CE1 4.08Å; R265-F271 HydrophobicContact CG-CD1 4.37Å; R265-F271 HydrophobicContact CG-CE1 4.12Å; R265-F271 HydrophobicContact CG-CZ 4.35Å
266N92.5Very high95.5Very high23 Ų2340.7 Ų40.712%0.12322%0.215CC..EExtended strand (participates in β ladder)trans-78.1-27.6-174.8-67.651.3000111.1V199 F202 E270 S272V199-N266 WeakPolarHBondContact CB-O 3.47Å; F202-N266 VanDerWaalsContact CD1-ND2 3.31Å; F202-N266 WeakPolarHBondContact CD1-ND2 3.38Å; F202-N266 WeakPolarHBondContact CE1-ND2 3.42Å; N266-E270 HydrophobicContact CB-CB 4.24Å; N266-E270 PolarHBondContact N-O 3.21Å; N266-S272 VanDerWaalsContact OD1-CB 3.3Å; N266-S272 WeakPolarHBondContact OD1-CB 3.13Å; N266-S272 PolarHBondContact OD1-OG 3.42Å
267G87.4Confident95.5Very high35 Ų3540.9 Ų40.936%0.36122%0.222SC..EExtended strand (participates in β ladder)trans152.5158.4177.400000110.1E269 E270G267-E269 PolarHBondContact O-N 3.07Å; G267-E269 VanDerWaalsContact O-N 3.07Å; G267-E270 WeakPolarHBondContact O-CB 3.27Å; G267-E270 PolarHBondContact O-N 3.32Å
268G91.3Very high95.3Very high39 Ų3943.5 Ų43.540%0.40223%0.232SC..THydrogen-bonded Turntrans52.6-118.617900000112.4R265R265-G268 PolarHBondContact NE-O 3Å; R265-G268 PolarHBondContact NH2-O 3.29Å
269E93.9Very high95.3Very high57 Ų5743.7 Ų43.727%0.26623%0.234SC..THydrogen-bonded Turntrans-97.13.1176.959.4-95.3-135.500115.7I227 F230 G267 F271I227-E269 HydrophobicContact CB-CB 4.09Å; I227-E269 HydrophobicContact CG1-CB 4.35Å; I227-E269 PolarHBondContact N-O 3.44Å; F230-E269 HydrophobicContact CB-CB 3.64Å; F230-E269 HydrophobicContact CB-CG 4.08Å; F230-E269 HydrophobicContact CD1-CB 3.59Å; F230-E269 HydrophobicContact CD1-CG 4.35Å; F230-E269 HydrophobicContact CD2-CB 4.4Å; F230-E269 HydrophobicContact CE1-CB 4.34Å; F230-E269 HydrophobicContact CG-CB 3.62Å; F230-E269 HydrophobicContact CG-CG 4.47Å; G267-E269 PolarHBondContact O-N 3.07Å; G267-E269 VanDerWaalsContact O-N 3.07Å; E269-F271 WeakPolarHBondContact O-CD2 3.22Å
270E96.8Very high95.4Very high90 Ų9037.3 Ų37.342%0.42120%0.199SC..EExtended strand (participates in β ladder)trans-94.7129.5-172.1-63.6175.5174.700111.9I225 R265 N266 G267I225-E270 WeakPolarHBondContact O-CA 3.3Å; R265-E270 CarbonylContact C-O 3.47Å; R265-E270 WeakPolarHBondContact CA-O 3.06Å; N266-E270 HydrophobicContact CB-CB 4.24Å; N266-E270 PolarHBondContact N-O 3.21Å; G267-E270 WeakPolarHBondContact O-CB 3.27Å; G267-E270 PolarHBondContact O-N 3.32Å
271F98.6Very high95.5Very high1 Ų137.4 Ų37.40%0.00420%0.204CC..EExtended strand (participates in β ladder)trans-119.7158.2174.1-63.2-98.9000110.2T194 L196 I225 I227 L246 M249 L253 F264 R265 E269T194-F271 HydrophobicContact CG2-CE1 4.18Å; T194-F271 HydrophobicContact CG2-CZ 4.32Å; L196-F271 HydrophobicContact CD1-CD1 3.61Å; L196-F271 HydrophobicContact CD1-CE1 3.68Å; I225-F271 HydrophobicContact CB-CB 4.19Å; I225-F271 PolarHBondContact N-O 3.09Å; I225-F271 PolarHBondContact O-N 3Å; I227-F271 HydrophobicContact CD1-CE2 3.92Å; I227-F271 HydrophobicContact CG1-CE2 4.36Å; L246-F271 HydrophobicContact CD2-CE2 3.84Å; L246-F271 HydrophobicContact CD2-CZ 3.85Å; M249-F271 HydrophobicContact CB-CE2 4.34Å; M249-F271 HydrophobicContact CB-CZ 4.19Å; M249-F271 HydrophobicContact CG-CD2 4.2Å; M249-F271 HydrophobicContact CG-CE2 3.82Å; M249-F271 HydrophobicContact CG-CZ 4.02Å; L253-F271 HydrophobicContact CD1-CB 3.81Å; L253-F271 HydrophobicContact CD1-CD1 3.67Å; L253-F271 HydrophobicContact CD1-CD2 4.47Å; L253-F271 HydrophobicContact CD1-CE1 4.36Å; L253-F271 HydrophobicContact CD1-CG 3.73Å; F264-F271 CarbonylContact O-C 3.58Å; F264-F271 WeakPolarHBondContact O-CA 3.3Å; F264-F271 WeakPolarHBondContact O-CB 3.46Å; R265-F271 HydrophobicContact CB-CD1 4.1Å; R265-F271 HydrophobicContact CB-CE1 4.08Å; R265-F271 HydrophobicContact CG-CD1 4.37Å; R265-F271 HydrophobicContact CG-CE1 4.12Å; R265-F271 HydrophobicContact CG-CZ 4.35Å; E269-F271 WeakPolarHBondContact O-CD2 3.22Å
272S98.3Very high95.6Very high0 Ų041.3 Ų41.30%022%0.222CC..EExtended strand (participates in β ladder)trans-144156.1174.764.70000113.7F202 L223 I263 F264 N266F202-S272 WeakPolarHBondContact CD2-OG 3.48Å; F202-S272 VanDerWaalsContact CE2-OG 3.27Å; F202-S272 WeakPolarHBondContact CE2-OG 3.11Å; L223-S272 CarbonylContact O-C 3.45Å; L223-S272 WeakPolarHBondContact O-CA 3.43Å; L223-S272 WeakPolarHBondContact O-CB 3.34Å; I263-S272 WeakPolarHBondContact CA-O 3.33Å; F264-S272 WeakPolarHBondContact CB-OG 3.41Å; F264-S272 PolarHBondContact N-O 2.89Å; F264-S272 PolarHBondContact O-N 3.39Å; N266-S272 VanDerWaalsContact OD1-CB 3.3Å; N266-S272 WeakPolarHBondContact OD1-CB 3.13Å; N266-S272 PolarHBondContact OD1-OG 3.42Å
273V98.4Very high95.6Very high0 Ų037.3 Ų37.30%021%0.205CC..EExtended strand (participates in β ladder)trans-134.9123.3175.2-1750000108.6L223 I225 V257 F261 I263 I275L223-V273 HydrophobicContact CB-CB 4.16Å; L223-V273 HydrophobicContact CD1-CB 4.21Å; L223-V273 HydrophobicContact CG-CB 4.44Å; L223-V273 PolarHBondContact N-O 3.19Å; L223-V273 PolarHBondContact O-N 3.43Å; I225-V273 HydrophobicContact CD1-CG2 4.15Å; V257-V273 HydrophobicContact CG1-CG1 3.85Å; V257-V273 HydrophobicContact CG2-CG1 4.44Å; V257-V273 HydrophobicContact CG2-CG2 3.87Å; F261-V273 HydrophobicContact CB-CG1 4.05Å; I263-V273 HydrophobicContact CG1-CG2 4.44Å; I263-V273 HydrophobicContact CG2-CG2 4.16Å; V273-I275 HydrophobicContact CG1-CG1 4Å
274V97.4Very high95.5Very high0 Ų037.5 Ų37.50%021%0.207CC..EExtended strand (participates in β ladder)trans-95.4122.2174.5-174.60000108.5F202 L206 I209 I220 L222 F264F202-V274 HydrophobicContact CD2-CG2 4.18Å; F202-V274 HydrophobicContact CE2-CG2 3.89Å; L206-V274 HydrophobicContact CB-CG2 4.31Å; L206-V274 HydrophobicContact CD1-CG1 3.94Å; L206-V274 HydrophobicContact CD1-CG2 4.09Å; I209-V274 HydrophobicContact CB-CG1 4.06Å; I209-V274 HydrophobicContact CG1-CG1 4.27Å; I209-V274 HydrophobicContact CG2-CG1 3.92Å; I220-V274 HydrophobicContact CD1-CG1 4.19Å; I220-V274 HydrophobicContact CG1-CG1 4.39Å; L222-V274 HydrophobicContact CD1-CG2 4.07Å; F264-V274 HydrophobicContact CE2-CG2 3.98Å
275I96.5Very high95.5Very high0 Ų043.6 Ų43.60%023%0.233CC..EExtended strand (participates in β ladder)trans-116.6132.7-175.9-54.5172.7000108I220 A221 L223 F261 V273 Y278 L286I220-I275 WeakPolarHBondContact CA-O 3.29Å; I220-I275 WeakPolarHBondContact CG1-O 3.35Å; A221-I275 HydrophobicContact CB-CB 4.11Å; A221-I275 PolarHBondContact N-O 2.67Å; A221-I275 PolarHBondContact O-N 3.32Å; L223-I275 HydrophobicContact CD1-CD1 3.72Å; L223-I275 HydrophobicContact CD2-CD1 4.41Å; L223-I275 HydrophobicContact CG-CD1 3.8Å; F261-I275 HydrophobicContact CD2-CG1 4.43Å; F261-I275 HydrophobicContact CE1-CG2 3.95Å; F261-I275 HydrophobicContact CE2-CG2 3.96Å; F261-I275 HydrophobicContact CZ-CG2 3.61Å; V273-I275 HydrophobicContact CG1-CG1 4Å; I275-Y278 HydrophobicContact CG2-CD1 3.91Å; I275-Y278 HydrophobicContact CG2-CD2 4.14Å; I275-Y278 HydrophobicContact CG2-CG 3.59Å; I275-L286 HydrophobicContact CD1-CD2 3.79Å
276H94Very high95.5Very high46 Ų4643 Ų4321%0.21323%0.232CC..EExtended strand (participates in β ladder)trans-119.7145.1177.265.480.6000110.6I209 F261 Y278I209-H276 HydrophobicContact CG2-CB 3.7Å; F261-H276 AromaticContact CE1-CD2 3.99Å; F261-H276 AromaticContact CE1-NE2 3.99Å; H276-Y278 VanDerWaalsContact C-N 3.33Å; H276-Y278 PolarHBondContact O-N 3.48Å
277N95.2Very high95.8Very high93 Ų9341.9 Ų41.950%0.49723%0.226SC..SBendtrans56.640.9175.4-165.729.1000114.4Q218 S219Q218-N277 HydrophobicContact CB-CB 4.24Å; Q218-N277 HydrophobicContact CG-CB 4.21Å; S219-N277 PolarHBondContact O-N 3.41Å
278Y94.8Very high96.3Very high61 Ų6143.3 Ų43.324%0.23922%0.223CC..  trans-119.3145.7174.1-92.4-137.7000109.8S219 Q260 F261 I275 H276 Q282 Y317S219-Y278 WeakPolarHBondContact CB-O 3.37Å; S219-Y278 PolarHBondContact OG-N 3.29Å; S219-Y278 VanDerWaalsContact OG-N 3.16Å; S219-Y278 PolarHBondContact OG-O 3.14Å; Q260-Y278 PolarHBondContact NE2-OH 3.21Å; F261-Y278 HydrophobicContact CE2-CD1 4.43Å; F261-Y278 AromaticContact CE2-CE1 3.93Å; F261-Y278 HydrophobicContact CE2-CE1 3.93Å; F261-Y278 HydrophobicContact CE2-CE2 4.09Å; F261-Y278 AromaticContact CE2-CZ 3.75Å; F261-Y278 HydrophobicContact CZ-CD1 4.37Å; F261-Y278 AromaticContact CZ-CD2 3.74Å; F261-Y278 HydrophobicContact CZ-CD2 3.74Å; F261-Y278 HydrophobicContact CZ-CE1 4.08Å; F261-Y278 AromaticContact CZ-CE2 3.45Å; F261-Y278 HydrophobicContact CZ-CE2 3.45Å; F261-Y278 VanDerWaalsContact CZ-CE2 3.45Å; F261-Y278 HydrophobicContact CZ-CG 4.24Å; F261-Y278 AromaticContact CZ-CZ 3.61Å; I275-Y278 HydrophobicContact CG2-CD1 3.91Å; I275-Y278 HydrophobicContact CG2-CD2 4.14Å; I275-Y278 HydrophobicContact CG2-CG 3.59Å; H276-Y278 VanDerWaalsContact C-N 3.33Å; H276-Y278 PolarHBondContact O-N 3.48Å; Y278-Q282 HydrophobicContact CD1-CB 3.61Å; Y278-Q282 HydrophobicContact CE1-CB 4.23Å; Y278-Q282 HydrophobicContact CG-CB 4.28Å; Y278-Y317 VanDerWaalsContact O-CE2 3.25Å; Y278-Y317 WeakPolarHBondContact O-CE2 3.17Å; Y278-Y317 PolarHBondContact O-OH 2.97Å
279S95.2Very high96.6Very high47 Ų4745.2 Ų45.233%0.32922%0.224SC..  trans-67.8158.6169.362.20000111.2D281 Q282 S283 Y317S279-D281 VanDerWaalsContact C-N 3.28Å; S279-D281 PolarHBondContact O-N 2.79Å; S279-Q282 PolarHBondContact O-N 3.01Å; S279-Q282 WeakPolarHBondContact OG-CB 3.41Å; S279-Q282 VanDerWaalsContact OG-CD 3.26Å; S279-Q282 WeakPolarHBondContact OG-CG 3.33Å; S279-Q282 PolarHBondContact OG-N 2.97Å; S279-Q282 PolarHBondContact OG-OE1 3.45Å; S279-S283 PolarHBondContact O-N 3.44Å; S279-S283 PolarHBondContact O-OG 2.69Å; S279-Y317 WeakPolarHBondContact CA-OH 3.35Å
280L94.8Very high96.8Very high35 Ų3542.5 Ų42.518%0.18321%0.212CC..Hα-helixtrans-55.7-45.2174.8176.160.9000111.3Q282 S283 V284 Y317 F350L280-Q282 PolarHBondContact O-N 3.27Å; L280-S283 PolarHBondContact O-N 2.91Å; L280-V284 HydrophobicContact CD1-CG2 3.87Å; L280-V284 HydrophobicContact CG-CG2 4.26Å; L280-V284 WeakPolarHBondContact O-CG2 3.44Å; L280-V284 PolarHBondContact O-N 3.47Å; L280-Y317 HydrophobicContact CB-CD1 4.06Å; L280-Y317 HydrophobicContact CB-CD2 4.18Å; L280-Y317 HydrophobicContact CB-CE1 3.99Å; L280-Y317 HydrophobicContact CB-CE2 4.14Å; L280-Y317 HydrophobicContact CB-CG 4.16Å; L280-Y317 HydrophobicContact CD1-CD1 4.33Å; L280-Y317 HydrophobicContact CD1-CD2 4.05Å; L280-Y317 HydrophobicContact CD1-CG 3.8Å; L280-Y317 VanDerWaalsContact N-CZ 3.34Å; L280-Y317 PolarHBondContact N-OH 3.34Å; L280-F350 HydrophobicContact CD1-CB 4.47Å; L280-F350 HydrophobicContact CD1-CD2 4.36Å; L280-F350 HydrophobicContact CD2-CD2 4.26Å
281D95.4Very high96.9Very high117 Ų11739.9 Ų39.963%0.62620%0.198SC*.Hα-helixtrans-57.8-45.5177.8179.974.7000112.2S279 S283 V284 K285S279-D281 VanDerWaalsContact C-N 3.28Å; S279-D281 PolarHBondContact O-N 2.79Å; D281-S283 VanDerWaalsContact C-N 3.33Å; D281-S283 PolarHBondContact O-N 3.02Å; D281-V284 PolarHBondContact O-N 2.84Å; D281-K285 WeakPolarHBondContact O-CB 3.34Å; D281-K285 PolarHBondContact O-N 3Å
282Q96.4Very high96.9Very high92 Ų9241 Ų4143%0.4321%0.206SC..Hα-helixtrans-63-40.4177.3-72.8166.8-45.200112.2Y278 S279 L280 L286Y278-Q282 HydrophobicContact CD1-CB 3.61Å; Y278-Q282 HydrophobicContact CE1-CB 4.23Å; Y278-Q282 HydrophobicContact CG-CB 4.28Å; S279-Q282 PolarHBondContact O-N 3.01Å; S279-Q282 WeakPolarHBondContact OG-CB 3.41Å; S279-Q282 VanDerWaalsContact OG-CD 3.26Å; S279-Q282 WeakPolarHBondContact OG-CG 3.33Å; S279-Q282 PolarHBondContact OG-N 2.97Å; S279-Q282 PolarHBondContact OG-OE1 3.45Å; L280-Q282 PolarHBondContact O-N 3.27Å; Q282-L286 WeakPolarHBondContact O-CB 3.26Å; Q282-L286 PolarHBondContact O-N 3.01Å
283S96.4Very high96.8Very high0 Ų041 Ų410%021%0.206CC..Hα-helixtrans-66.8-44.2177.6-63.40000112A221 S279 L280 D281 L286 A287A221-S283 WeakPolarHBondContact CB-OG 3.4Å; S279-S283 PolarHBondContact O-N 3.44Å; S279-S283 PolarHBondContact O-OG 2.69Å; L280-S283 PolarHBondContact O-N 2.91Å; D281-S283 VanDerWaalsContact C-N 3.33Å; D281-S283 PolarHBondContact O-N 3.02Å; S283-L286 PolarHBondContact O-N 3.5Å; S283-A287 PolarHBondContact O-N 2.84Å
284V96.9Very high96.8Very high23 Ų2341 Ų4114%0.13921%0.206CC..Hα-helixtrans-65.1-41.6175.8172.50000110.8L280 D281 L286 A287 E288 F350L280-V284 HydrophobicContact CD1-CG2 3.87Å; L280-V284 HydrophobicContact CG-CG2 4.26Å; L280-V284 WeakPolarHBondContact O-CG2 3.44Å; L280-V284 PolarHBondContact O-N 3.47Å; D281-V284 PolarHBondContact O-N 2.84Å; V284-L286 VanDerWaalsContact C-N 3.34Å; V284-L286 PolarHBondContact O-N 3.26Å; V284-A287 WeakPolarHBondContact O-CB 3.48Å; V284-A287 PolarHBondContact O-N 3.41Å; V284-E288 PolarHBondContact O-N 3.39Å; V284-F350 HydrophobicContact CG1-CD1 4.08Å; V284-F350 HydrophobicContact CG1-CE1 4.01Å; V284-F350 HydrophobicContact CG2-CB 4.08Å; V284-F350 HydrophobicContact CG2-CD1 3.65Å; V284-F350 HydrophobicContact CG2-CD2 4.32Å; V284-F350 HydrophobicContact CG2-CE1 4.13Å; V284-F350 HydrophobicContact CG2-CG 3.77Å
285K97.3Very high96.8Very high129 Ų12944.6 Ų44.656%0.56122%0.223SC*.Hα-helixtrans-62.5-40175.6-173.4174.4-175.5173.30112.2D281 E288 N289D281-K285 WeakPolarHBondContact O-CB 3.34Å; D281-K285 PolarHBondContact O-N 3Å; K285-E288 PolarHBondContact O-N 3.22Å; K285-N289 WeakPolarHBondContact O-CB 3.37Å; K285-N289 PolarHBondContact O-N 3.15Å; K285-N289 PolarHBondContact O-ND2 2.91Å
286L97.8Very high96.9Very high15 Ų1551.8 Ų51.88%0.07925%0.254CS..Hα-helixtrans-63-44.8173.2177.458.5000111.1L223 Y256 I275 Q282 S283 V284 N289 I290L223-L286 HydrophobicContact CD1-CD2 4.22Å; L223-L286 HydrophobicContact CD1-CG 4.22Å; Y256-L286 WeakPolarHBondContact O-CD1 3.17Å; I275-L286 HydrophobicContact CD1-CD2 3.79Å; Q282-L286 WeakPolarHBondContact O-CB 3.26Å; Q282-L286 PolarHBondContact O-N 3.01Å; S283-L286 PolarHBondContact O-N 3.5Å; V284-L286 VanDerWaalsContact C-N 3.34Å; V284-L286 PolarHBondContact O-N 3.26Å; L286-N289 PolarHBondContact O-N 3.38Å; L286-I290 HydrophobicContact CD1-CD1 4.24Å; L286-I290 HydrophobicContact CD1-CG1 4.43Å; L286-I290 HydrophobicContact CG-CD1 4.13Å; L286-I290 WeakPolarHBondContact O-CG1 3.39Å; L286-I290 PolarHBondContact O-N 3.48Å
287A98Very high97Very high0 Ų051.4 Ų51.40%026%0.257CS..Hα-helixtrans-59-46.3175.700000112.2L223 S283 V284 N289 I290 R291 I313 V315 V348L223-A287 HydrophobicContact CD1-CB 4.45Å; L223-A287 HydrophobicContact CD2-CB 3.82Å; S283-A287 PolarHBondContact O-N 2.84Å; V284-A287 WeakPolarHBondContact O-CB 3.48Å; V284-A287 PolarHBondContact O-N 3.41Å; A287-N289 VanDerWaalsContact C-N 3.35Å; A287-N289 PolarHBondContact O-N 3.39Å; A287-I290 WeakPolarHBondContact O-CB 3.36Å; A287-I290 PolarHBondContact O-N 2.8Å; A287-R291 WeakPolarHBondContact O-CB 3.2Å; A287-R291 PolarHBondContact O-N 2.66Å; A287-I313 HydrophobicContact CB-CD1 4.43Å; A287-I313 HydrophobicContact CB-CG2 3.98Å; A287-I313 WeakPolarHBondContact O-CD1 3.15Å; A287-V315 HydrophobicContact CB-CG2 4.1Å; A287-V348 HydrophobicContact CB-CB 4.37Å; A287-V348 HydrophobicContact CB-CG1 3.62Å; A287-V348 HydrophobicContact CB-CG2 3.75Å
288E98.1Very high97.1Very high64 Ų6449.4 Ų49.430%0.29925%0.25SC..Hα-helixtrans-65.5-37.3178.4-84.2-60.515100112.4V284 K285 R291 S292 V348V284-E288 PolarHBondContact O-N 3.39Å; K285-E288 PolarHBondContact O-N 3.22Å; E288-R291 PolarHBondContact O-N 2.79Å; E288-R291 IonicContact OE1-NE 2.85Å; E288-R291 IonicContact OE2-CZ 3.81Å; E288-R291 IonicContact OE2-NE 3.39Å; E288-R291 PolarHBondContact OE2-NE 2.82Å; E288-R291 IonicContact OE2-NH2 3.64Å; E288-R291 PolarHBondContact OE2-NH2 2.93Å; E288-S292 VanDerWaalsContact O-CB 3.26Å; E288-S292 WeakPolarHBondContact O-CB 3.43Å; E288-S292 PolarHBondContact O-N 3.3Å; E288-V348 HydrophobicContact CB-CG2 4.48Å; E288-V348 HydrophobicContact CG-CB 4.29Å; E288-V348 HydrophobicContact CG-CG2 3.85Å; E288-V348 VanDerWaalsContact OE1-CB 3.24Å; E288-V348 WeakPolarHBondContact OE1-CB 3.41Å; E288-V348 WeakPolarHBondContact OE1-CG2 3.47Å
289N98.1Very high97.2Very high80 Ų8046.6 Ų46.643%0.42824%0.239SC..Hα-helixtrans-62.6-43.5173.4-72.7-23.5000111.6Y256 K285 L286 A287 G293Y256-N289 HydrophobicContact CD1-CB 4.21Å; Y256-N289 WeakPolarHBondContact CE1-O 3.15Å; K285-N289 WeakPolarHBondContact O-CB 3.37Å; K285-N289 PolarHBondContact O-N 3.15Å; K285-N289 PolarHBondContact O-ND2 2.91Å; L286-N289 PolarHBondContact O-N 3.38Å; A287-N289 VanDerWaalsContact C-N 3.35Å; A287-N289 PolarHBondContact O-N 3.39Å; N289-G293 WeakPolarHBondContact O-CA 3.47Å; N289-G293 PolarHBondContact O-N 3.48Å
290I98.4Very high97.4Very high0 Ų049.9 Ų49.90%025%0.249CC..Hα-helixtrans-60.6-53.1174.9-69.6165.2000109.8L223 I225 L253 Y256 V257 L286 A287 S292 G293 V294 I313L223-I290 HydrophobicContact CD1-CD1 4.1Å; I225-I290 HydrophobicContact CD1-CD1 4.3Å; I225-I290 HydrophobicContact CD1-CG2 4.31Å; L253-I290 HydrophobicContact CD2-CG2 3.52Å; Y256-I290 HydrophobicContact CG-CG1 4.38Å; V257-I290 HydrophobicContact CG2-CD1 3.93Å; L286-I290 HydrophobicContact CD1-CD1 4.24Å; L286-I290 HydrophobicContact CD1-CG1 4.43Å; L286-I290 HydrophobicContact CG-CD1 4.13Å; L286-I290 WeakPolarHBondContact O-CG1 3.39Å; L286-I290 PolarHBondContact O-N 3.48Å; A287-I290 WeakPolarHBondContact O-CB 3.36Å; A287-I290 PolarHBondContact O-N 2.8Å; I290-S292 PolarHBondContact O-N 3.2Å; I290-G293 WeakPolarHBondContact O-CA 3.35Å; I290-G293 PolarHBondContact O-N 2.95Å; I290-G293 VanDerWaalsContact O-N 3.13Å; I290-V294 WeakPolarHBondContact O-CG2 3.4Å; I290-V294 PolarHBondContact O-N 2.95Å; I290-I313 HydrophobicContact CB-CD1 4.1Å; I290-I313 HydrophobicContact CG2-CD1 3.85Å
291R98.5Very high97.5Very high34 Ų3448.7 Ų48.713%0.12824%0.243CC..Hα-helixtrans-57.3-52.8-178.3-173-156.364.771.70.6111.9A287 E288 G293 V294 E295 V311 I313 N346 V348A287-R291 WeakPolarHBondContact O-CB 3.2Å; A287-R291 PolarHBondContact O-N 2.66Å; E288-R291 PolarHBondContact O-N 2.79Å; E288-R291 IonicContact OE1-NE 2.85Å; E288-R291 IonicContact OE2-CZ 3.81Å; E288-R291 IonicContact OE2-NE 3.39Å; E288-R291 PolarHBondContact OE2-NE 2.82Å; E288-R291 IonicContact OE2-NH2 3.64Å; E288-R291 PolarHBondContact OE2-NH2 2.93Å; R291-G293 PolarHBondContact O-N 3.33Å; R291-V294 PolarHBondContact O-N 2.85Å; R291-E295 IonicContact CZ-OE2 2.81Å; R291-E295 IonicContact NH1-OE1 3.66Å; R291-E295 IonicContact NH1-OE2 2.83Å; R291-E295 PolarHBondContact NH1-OE2 3.5Å; R291-E295 IonicContact NH2-OE2 3.72Å; R291-E295 PolarHBondContact O-N 3.44Å; R291-V311 HydrophobicContact CB-CG2 4.27Å; R291-V311 HydrophobicContact CG-CG2 4.21Å; R291-I313 HydrophobicContact CB-CD1 3.99Å; R291-N346 VanDerWaalsContact CD-C 3.49Å; R291-N346 WeakPolarHBondContact CD-O 3.05Å; R291-N346 PolarHBondContact NH1-OD1 3.08Å; R291-V348 HydrophobicContact CB-CG2 4.21Å
292S98.2Very high97.4Very high24 Ų2447.2 Ų47.217%0.16824%0.24CC..Hα-helixtrans-62.5-34.7177.8-1700000111.7E288 I290 K296E288-S292 VanDerWaalsContact O-CB 3.26Å; E288-S292 WeakPolarHBondContact O-CB 3.43Å; E288-S292 PolarHBondContact O-N 3.3Å; I290-S292 PolarHBondContact O-N 3.2Å; S292-K296 WeakPolarHBondContact O-CB 3.24Å; S292-K296 WeakPolarHBondContact O-CD 3.42Å; S292-K296 VanDerWaalsContact O-CG 3.27Å; S292-K296 WeakPolarHBondContact O-CG 3.23Å; S292-K296 PolarHBondContact O-N 3.01Å; S292-K296 WeakPolarHBondContact OG-CE 2.99Å; S292-K296 PolarHBondContact OG-NZ 3.21Å
293G97.8Very high97.1Very high1 Ų146.5 Ų46.51%0.0124%0.239CC..Hα-helixtrans-63.9-43.6175.700000113.7Y256 N289 I290 R291 S297Y256-G293 VanDerWaalsContact CZ-CA 3.44Å; Y256-G293 WeakPolarHBondContact OH-CA 3.32Å; N289-G293 WeakPolarHBondContact O-CA 3.47Å; N289-G293 PolarHBondContact O-N 3.48Å; I290-G293 WeakPolarHBondContact O-CA 3.35Å; I290-G293 PolarHBondContact O-N 2.95Å; I290-G293 VanDerWaalsContact O-N 3.13Å; R291-G293 PolarHBondContact O-N 3.33Å; G293-S297 VanDerWaalsContact O-CB 3.29Å; G293-S297 WeakPolarHBondContact O-CB 3.39Å; G293-S297 PolarHBondContact O-N 2.96Å; G293-S297 VanDerWaalsContact O-N 3.14Å; G293-S297 PolarHBondContact O-OG 3.4Å
294V98.1Very high96.9Very high0 Ų056 Ų560%028%0.28CS..Hα-helixtrans-62.6-52173.8171.70000110.7M249 L252 I290 R291 K296 S297 F299 V311M249-V294 HydrophobicContact CE-CB 4.49Å; M249-V294 HydrophobicContact CE-CG1 3.77Å; M249-V294 HydrophobicContact CE-CG2 3.83Å; M249-V294 HydrophobicContact SD-CG2 3.7Å; L252-V294 HydrophobicContact CD1-CG2 4.19Å; L252-V294 HydrophobicContact CD2-CG2 3.5Å; L252-V294 VanDerWaalsContact CD2-CG2 3.5Å; I290-V294 WeakPolarHBondContact O-CG2 3.4Å; I290-V294 PolarHBondContact O-N 2.95Å; R291-V294 PolarHBondContact O-N 2.85Å; V294-K296 VanDerWaalsContact C-N 3.25Å; V294-K296 PolarHBondContact O-N 2.88Å; V294-S297 WeakPolarHBondContact O-CB 3.3Å; V294-S297 PolarHBondContact O-N 3.43Å; V294-F299 HydrophobicContact CG1-CE2 4.29Å; V294-F299 HydrophobicContact CG1-CZ 4.28Å; V294-V311 HydrophobicContact CB-CG2 3.99Å; V294-V311 HydrophobicContact CG1-CG1 4.04Å; V294-V311 HydrophobicContact CG1-CG2 4.24Å; V294-V311 HydrophobicContact CG2-CG1 4.18Å; V294-V311 HydrophobicContact CG2-CG2 3.89Å
295E97.8Very high96.8Very high76 Ų7659 Ų5936%0.35529%0.292SS..Hα-helixtrans-55.5-40.2-179.4175.2178.1-134.200112.3R291 N346R291-E295 IonicContact CZ-OE2 2.81Å; R291-E295 IonicContact NH1-OE1 3.66Å; R291-E295 IonicContact NH1-OE2 2.83Å; R291-E295 PolarHBondContact NH1-OE2 3.5Å; R291-E295 IonicContact NH2-OE2 3.72Å; R291-E295 PolarHBondContact O-N 3.44Å; E295-N346 PolarHBondContact OE1-ND2 2.87Å
296K97.3Very high96.7Very high151 Ų15156.7 Ų56.766%0.65729%0.289SS*.Hα-helixtrans-77.4-22.4179.1-72.5168-179.5157.50113.3S292 V294 K308S292-K296 WeakPolarHBondContact O-CB 3.24Å; S292-K296 WeakPolarHBondContact O-CD 3.42Å; S292-K296 VanDerWaalsContact O-CG 3.27Å; S292-K296 WeakPolarHBondContact O-CG 3.23Å; S292-K296 PolarHBondContact O-N 3.01Å; S292-K296 WeakPolarHBondContact OG-CE 2.99Å; S292-K296 PolarHBondContact OG-NZ 3.21Å; V294-K296 VanDerWaalsContact C-N 3.25Å; V294-K296 PolarHBondContact O-N 2.88Å; K296-K308 PolarHBondContact O-NZ 3.22Å
297S97.2Very high96.7Very high37 Ų3756.8 Ų56.826%0.25929%0.289SS..  trans-78.2154.9-177.3-69.20000112.3L252 G293 V294 K308L252-S297 VanDerWaalsContact CD1-CB 3.44Å; L252-S297 WeakPolarHBondContact CD1-OG 3.34Å; G293-S297 VanDerWaalsContact O-CB 3.29Å; G293-S297 WeakPolarHBondContact O-CB 3.39Å; G293-S297 PolarHBondContact O-N 2.96Å; G293-S297 VanDerWaalsContact O-N 3.14Å; G293-S297 PolarHBondContact O-OG 3.4Å; V294-S297 WeakPolarHBondContact O-CB 3.3Å; V294-S297 PolarHBondContact O-N 3.43Å; S297-K308 WeakPolarHBondContact O-CD 3.39Å; S297-K308 PolarHBondContact O-NZ 3.37Å
298S97.1Very high96.6Very high51 Ų5162.5 Ų62.536%0.35731%0.314SS..  trans-113.8133.1176.4-64.30000108.4K308S298-K308 WeakPolarHBondContact OG-CE 3.22Å; S298-K308 PolarHBondContact OG-NZ 2.93Å
299F97.4Very high96.6Very high3 Ų360.4 Ų60.41%0.01331%0.305CS..EExtended strand (participates in β ladder)trans-101.5121.1-179.7-67.1-97.3000109.4V245 Q248 M249 L252 V294 V306 I307 L309V245-F299 HydrophobicContact CB-CD1 4.46Å; V245-F299 HydrophobicContact CG1-CD1 4.14Å; V245-F299 HydrophobicContact CG1-CE1 4.35Å; V245-F299 HydrophobicContact CG2-CB 4.28Å; V245-F299 HydrophobicContact CG2-CD1 4.36Å; Q248-F299 HydrophobicContact CB-CD1 3.73Å; Q248-F299 HydrophobicContact CB-CE1 4Å; M249-F299 HydrophobicContact CB-CE1 4.42Å; M249-F299 HydrophobicContact CE-CE1 4.09Å; M249-F299 HydrophobicContact CE-CZ 3.63Å; L252-F299 HydrophobicContact CD1-CZ 4.38Å; V294-F299 HydrophobicContact CG1-CE2 4.29Å; V294-F299 HydrophobicContact CG1-CZ 4.28Å; F299-V306 WeakPolarHBondContact O-CA 3.28Å; F299-I307 HydrophobicContact CB-CG1 3.87Å; F299-I307 PolarHBondContact N-O 3.48Å; F299-I307 PolarHBondContact O-N 2.9Å; F299-L309 HydrophobicContact CD1-CD1 4.39Å; F299-L309 HydrophobicContact CD2-CB 4.12Å; F299-L309 HydrophobicContact CD2-CD1 3.96Å; F299-L309 HydrophobicContact CD2-CG 4.15Å; F299-L309 HydrophobicContact CE2-CB 3.91Å; F299-L309 HydrophobicContact CE2-CD1 4.2Å; F299-L309 HydrophobicContact CE2-CG 4.39Å; F299-L309 HydrophobicContact CG-CD1 4.07Å
300H97.4Very high96.6Very high115 Ų11557.8 Ų57.853%0.53229%0.293SS..EExtended strand (participates in β ladder)trans-92.7123.4-178.4-65.6-93.2000110.3Q248Q248-H300 PolarHBondContact NE2-O 2.95Å
301L96.9Very high96.6Very high11 Ų1157.8 Ų57.86%0.05829%0.293CS..PPolyproline II helixtrans-95.3157-177.4-57.7-171.7000111.8Y237 V245 N303 K304 E305 I307Y237-L301 HydrophobicContact CD1-CD1 3.9Å; Y237-L301 HydrophobicContact CD2-CD1 3.93Å; Y237-L301 HydrophobicContact CE1-CD1 4.41Å; Y237-L301 HydrophobicContact CE2-CD1 4.44Å; Y237-L301 HydrophobicContact CG-CD1 3.62Å; V245-L301 HydrophobicContact CG2-CD2 3.79Å; L301-N303 WeakPolarHBondContact CB-OD1 3.14Å; L301-N303 PolarHBondContact O-N 3.02Å; L301-N303 VanDerWaalsContact O-N 3.16Å; L301-K304 PolarHBondContact O-N 3.38Å; L301-E305 HydrophobicContact CB-CB 4.49Å; L301-E305 HydrophobicContact CD1-CB 4.29Å; L301-E305 PolarHBondContact N-O 2.97Å; L301-I307 HydrophobicContact CD1-CD1 4.2Å; L301-I307 HydrophobicContact CD1-CG1 4.43Å; L301-I307 HydrophobicContact CD1-CG2 3.92Å; L301-I307 HydrophobicContact CD2-CD1 4.07Å; L301-I307 HydrophobicContact CD2-CG1 4.29Å; L301-I307 HydrophobicContact CG-CD1 4.45Å; L301-I307 HydrophobicContact CG-CG1 4.4Å; L301-I307 HydrophobicContact CG-CG2 4.5Å
302P93.9Very high96.5Very high86 Ų8656.2 Ų56.256%0.55829%0.287SS*.THydrogen-bonded Turntrans-59-26.7178.9-24.934.9000114.4A244 K304A244-P302 HydrophobicContact CB-CG 4.1Å; P302-K304 PolarHBondContact O-N 3.17Å
303N91.3Very high96.6Very high77 Ų7755 Ų5541%0.41228%0.279SS..THydrogen-bonded Turntrans-83.210.7176.266.8-8.7000113.4L301 E305L301-N303 WeakPolarHBondContact CB-OD1 3.14Å; L301-N303 PolarHBondContact O-N 3.02Å; L301-N303 VanDerWaalsContact O-N 3.16Å; N303-E305 PolarHBondContact ND2-OE2 3.11Å; N303-E305 PolarHBondContact O-N 3.41Å; N303-E305 WeakPolarHBondContact OD1-CB 3.43Å; N303-E305 PolarHBondContact OD1-N 3.15Å
304K91Very high96.6Very high198 Ų19855 Ų5586%0.86128%0.278SS*.SBendtrans70.57-178.8-51.6177.8178.6178.20115.4L301 P302L301-K304 PolarHBondContact O-N 3.38Å; P302-K304 PolarHBondContact O-N 3.17Å
305E94.5Very high96.5Very high87 Ų8755 Ų5541%0.40728%0.278SS..  trans-74154.3169.7-67.7179.7138.300110.9Y237 L301 N303Y237-E305 WeakPolarHBondContact CD1-OE2 3.39Å; Y237-E305 WeakPolarHBondContact CE1-OE2 3.36Å; L301-E305 HydrophobicContact CB-CB 4.49Å; L301-E305 HydrophobicContact CD1-CB 4.29Å; L301-E305 PolarHBondContact N-O 2.97Å; N303-E305 PolarHBondContact ND2-OE2 3.11Å; N303-E305 PolarHBondContact O-N 3.41Å; N303-E305 WeakPolarHBondContact OD1-CB 3.43Å; N303-E305 PolarHBondContact OD1-N 3.15Å
306V96.4Very high96.5Very high80 Ų8051.4 Ų51.449%0.48526%0.261SS..EExtended strand (participates in β ladder)trans-124.1119.4177.8-1770000107.9F299F299-V306 WeakPolarHBondContact O-CA 3.28Å
307I97Very high96.4Very high17 Ų1745.7 Ų45.79%0.08724%0.236CC..EExtended strand (participates in β ladder)trans-114.9158.5-178.667.2171.7000111.2V233 Y237 V245 F299 L301 L309V233-I307 HydrophobicContact CG1-CD1 4.01Å; V233-I307 HydrophobicContact CG2-CD1 3.93Å; Y237-I307 HydrophobicContact CE2-CG2 3.87Å; V245-I307 HydrophobicContact CG2-CD1 4.08Å; F299-I307 HydrophobicContact CB-CG1 3.87Å; F299-I307 PolarHBondContact N-O 3.48Å; F299-I307 PolarHBondContact O-N 2.9Å; L301-I307 HydrophobicContact CD1-CD1 4.2Å; L301-I307 HydrophobicContact CD1-CG1 4.43Å; L301-I307 HydrophobicContact CD1-CG2 3.92Å; L301-I307 HydrophobicContact CD2-CD1 4.07Å; L301-I307 HydrophobicContact CD2-CG1 4.29Å; L301-I307 HydrophobicContact CG-CD1 4.45Å; L301-I307 HydrophobicContact CG-CG1 4.4Å; L301-I307 HydrophobicContact CG-CG2 4.5Å; I307-L309 HydrophobicContact CD1-CD1 4.1Å; I307-L309 HydrophobicContact CD1-CD2 4.23Å; I307-L309 HydrophobicContact CD1-CG 4.16Å; I307-L309 HydrophobicContact CG1-CG 4.47Å
308K96.8Very high96.3Very high120 Ų12044 Ų4452%0.52222%0.224SC..  trans-110138.5171.1-70.8-60.8-160.4-178.20108.8K296 S297 S298K296-K308 PolarHBondContact O-NZ 3.22Å; S297-K308 WeakPolarHBondContact O-CD 3.39Å; S297-K308 PolarHBondContact O-NZ 3.37Å; S298-K308 WeakPolarHBondContact OG-CE 3.22Å; S298-K308 PolarHBondContact OG-NZ 2.93Å
309L97Very high96.2Very high21 Ų2143.9 Ų43.911%0.1122%0.222CC..  trans-132.7161.2178.5-64.8171.2000109.1I227 V233 V245 F299 I307I227-L309 HydrophobicContact CG2-CD1 4.19Å; V233-L309 HydrophobicContact CG2-CD2 3.72Å; V245-L309 HydrophobicContact CB-CD1 4.38Å; V245-L309 HydrophobicContact CG1-CD1 3.39Å; V245-L309 HydrophobicContact CG2-CD1 4.03Å; F299-L309 HydrophobicContact CD1-CD1 4.39Å; F299-L309 HydrophobicContact CD2-CB 4.12Å; F299-L309 HydrophobicContact CD2-CD1 3.96Å; F299-L309 HydrophobicContact CD2-CG 4.15Å; F299-L309 HydrophobicContact CE2-CB 3.91Å; F299-L309 HydrophobicContact CE2-CD1 4.2Å; F299-L309 HydrophobicContact CE2-CG 4.39Å; F299-L309 HydrophobicContact CG-CD1 4.07Å; I307-L309 HydrophobicContact CD1-CD1 4.1Å; I307-L309 HydrophobicContact CD1-CD2 4.23Å; I307-L309 HydrophobicContact CD1-CG 4.16Å; I307-L309 HydrophobicContact CG1-CG 4.47Å
310S97.9Very high95.9Very high25 Ų2547.9 Ų47.918%0.17524%0.243CC..  trans-125.5170.1169.360.20000110.1D228D228-S310 WeakPolarHBondContact CB-O 3.32Å; D228-S310 WeakPolarHBondContact CB-OG 3.39Å; D228-S310 PolarHBondContact N-O 3.43Å; D228-S310 WeakPolarHBondContact OD2-CB 3.3Å; D228-S310 PolarHBondContact OD2-OG 3.47Å
311V98.3Very high95.5Very high0 Ų049.4 Ų49.40%026%0.255CS..EExtended strand (participates in β ladder)trans-128.1144.6172.3-740000110I225 D226 I227 D228 M249 R291 V294 I313 N346I225-V311 HydrophobicContact CG2-CB 3.94Å; I225-V311 HydrophobicContact CG2-CG1 3.85Å; I225-V311 HydrophobicContact CG2-CG2 4.28Å; D226-V311 CarbonylContact O-C 3.56Å; D226-V311 WeakPolarHBondContact O-CA 3.4Å; D226-V311 WeakPolarHBondContact O-CB 3.28Å; I227-V311 HydrophobicContact CG1-CG1 4.25Å; D228-V311 VanDerWaalsContact OD2-C 3.26Å; D228-V311 PolarHBondContact OD2-N 2.92Å; M249-V311 HydrophobicContact CE-CG1 3.83Å; M249-V311 HydrophobicContact SD-CG1 4.48Å; R291-V311 HydrophobicContact CB-CG2 4.27Å; R291-V311 HydrophobicContact CG-CG2 4.21Å; V294-V311 HydrophobicContact CB-CG2 3.99Å; V294-V311 HydrophobicContact CG1-CG1 4.04Å; V294-V311 HydrophobicContact CG1-CG2 4.24Å; V294-V311 HydrophobicContact CG2-CG1 4.18Å; V294-V311 HydrophobicContact CG2-CG2 3.89Å; V311-I313 HydrophobicContact CB-CG1 4.44Å; V311-I313 HydrophobicContact CG2-CD1 4.04Å; V311-I313 HydrophobicContact CG2-CG1 4.06Å; V311-N346 WeakPolarHBondContact O-CA 3.32Å
312S98.3Very high95.2Very high0 Ų051 Ų510%026%0.264CS..EExtended strand (participates in β ladder)trans-99128.9165.7-66.90000108.3D226 D228 R345 N346D226-S312 PolarHBondContact N-O 3.46Å; D226-S312 PolarHBondContact O-N 3.26Å; D228-S312 WeakPolarHBondContact OD1-CB 3.36Å; D228-S312 PolarHBondContact OD1-OG 3.15Å; D228-S312 PolarHBondContact OD2-N 2.85Å; D228-S312 PolarHBondContact OD2-OG 3Å; S312-R345 WeakPolarHBondContact OG-CA 3.49Å; S312-N346 PolarHBondContact OG-N 2.84Å
313I98.3Very high95Very high0 Ų051.2 Ų51.20%027%0.265CS..EExtended strand (participates in β ladder)trans-122.5126.3-176.2-51.9-179.8000110L223 L224 I225 A287 I290 R291 V311 K347 V348 M349L223-I313 HydrophobicContact CB-CG2 4.32Å; L223-I313 HydrophobicContact CD2-CG2 4.37Å; L224-I313 CarbonylContact O-C 3.51Å; L224-I313 VanDerWaalsContact O-CA 3.25Å; L224-I313 WeakPolarHBondContact O-CA 3.44Å; L224-I313 WeakPolarHBondContact O-CG2 3.34Å; I225-I313 HydrophobicContact CB-CG1 4.41Å; I225-I313 HydrophobicContact CG1-CD1 4.21Å; I225-I313 HydrophobicContact CG1-CG1 4.12Å; I225-I313 HydrophobicContact CG1-CG2 4.09Å; I225-I313 HydrophobicContact CG2-CD1 4.43Å; I225-I313 HydrophobicContact CG2-CG1 4.15Å; A287-I313 HydrophobicContact CB-CD1 4.43Å; A287-I313 HydrophobicContact CB-CG2 3.98Å; A287-I313 WeakPolarHBondContact O-CD1 3.15Å; I290-I313 HydrophobicContact CB-CD1 4.1Å; I290-I313 HydrophobicContact CG2-CD1 3.85Å; R291-I313 HydrophobicContact CB-CD1 3.99Å; V311-I313 HydrophobicContact CB-CG1 4.44Å; V311-I313 HydrophobicContact CG2-CD1 4.04Å; V311-I313 HydrophobicContact CG2-CG1 4.06Å; I313-K347 PolarHBondContact N-O 3.22Å; I313-V348 HydrophobicContact CB-CG2 4.18Å; I313-V348 HydrophobicContact CD1-CG2 4.45Å; I313-V348 CarbonylContact O-C 3.53Å; I313-V348 WeakPolarHBondContact O-CA 3.46Å; I313-M349 PolarHBondContact O-N 3.24Å
314G97.9Very high95Very high0 Ų048.2 Ų48.20%025%0.248CC..EExtended strand (participates in β ladder)trans-104.3131.4170.600000111L224 A333 M349L224-G314 PolarHBondContact N-O 2.8Å; L224-G314 PolarHBondContact O-N 2.74Å; G314-A333 WeakPolarHBondContact CA-O 3.39Å; G314-M349 CarbonylContact C-O 3.38Å; G314-M349 WeakPolarHBondContact CA-O 3.4Å
315V97.9Very high95Very high0 Ų041 Ų410%022%0.223CC..EExtended strand (participates in β ladder)trans-109111.2177.5-170.30000109.7L222 L223 A287 V348 M349 F350 N351L222-V315 WeakPolarHBondContact O-CA 3.27Å; L223-V315 HydrophobicContact CD2-CB 4.18Å; L223-V315 HydrophobicContact CD2-CG1 3.94Å; L223-V315 HydrophobicContact CD2-CG2 3.56Å; A287-V315 HydrophobicContact CB-CG2 4.1Å; V315-V348 HydrophobicContact CG2-CG1 3.68Å; V315-M349 PolarHBondContact N-O 3.4Å; V315-F350 HydrophobicContact CB-CB 3.71Å; V315-F350 HydrophobicContact CG1-CB 4.47Å; V315-F350 HydrophobicContact CG2-CB 4.2Å; V315-F350 WeakPolarHBondContact O-CA 3.16Å; V315-N351 PolarHBondContact O-N 3.46Å
316G96.1Very high94.9Very high0 Ų041 Ų410%022%0.223CC..EExtended strand (participates in β ladder)trans-88132.2164.100000109.2A221 L222A221-G316 CarbonylContact C-O 3.58Å; A221-G316 VanDerWaalsContact CA-O 3.23Å; A221-G316 WeakPolarHBondContact CA-O 3.45Å; L222-G316 PolarHBondContact N-O 2.91Å; L222-G316 PolarHBondContact O-N 3.26Å
317Y96.4Very high94.8Very high31 Ų3147.2 Ų47.212%0.12224%0.238CC..EExtended strand (participates in β ladder)trans-136.5131.1-177.2-170.1-96.4000111S219 A221 Y278 S279 L280 T319S219-Y317 WeakPolarHBondContact CB-OH 3.49Å; S219-Y317 PolarHBondContact OG-OH 3.48Å; A221-Y317 HydrophobicContact CB-CD2 3.64Å; A221-Y317 HydrophobicContact CB-CE2 4.18Å; Y278-Y317 VanDerWaalsContact O-CE2 3.25Å; Y278-Y317 WeakPolarHBondContact O-CE2 3.17Å; Y278-Y317 PolarHBondContact O-OH 2.97Å; S279-Y317 WeakPolarHBondContact CA-OH 3.35Å; L280-Y317 HydrophobicContact CB-CD1 4.06Å; L280-Y317 HydrophobicContact CB-CD2 4.18Å; L280-Y317 HydrophobicContact CB-CE1 3.99Å; L280-Y317 HydrophobicContact CB-CE2 4.14Å; L280-Y317 HydrophobicContact CB-CG 4.16Å; L280-Y317 HydrophobicContact CD1-CD1 4.33Å; L280-Y317 HydrophobicContact CD1-CD2 4.05Å; L280-Y317 HydrophobicContact CD1-CG 3.8Å; L280-Y317 VanDerWaalsContact N-CZ 3.34Å; L280-Y317 PolarHBondContact N-OH 3.34Å; Y317-T319 HydrophobicContact CD1-CG2 4.36Å; Y317-T319 HydrophobicContact CE1-CG2 3.98Å
318L95.1Very high94.7Very high1 Ų150.7 Ų50.71%0.00525%0.252CS..EExtended strand (participates in β ladder)trans-120.5125.8170.3-57.1176.5000108.3S219 I220 D322 K324 K328 V329S219-L318 WeakPolarHBondContact CA-O 3.47Å; S219-L318 WeakPolarHBondContact CB-O 3.39Å; I220-L318 HydrophobicContact CG2-CB 3.89Å; I220-L318 HydrophobicContact CG2-CD1 4.06Å; I220-L318 HydrophobicContact CG2-CG 4.26Å; I220-L318 PolarHBondContact N-O 2.92Å; I220-L318 VanDerWaalsContact N-O 3.07Å; I220-L318 PolarHBondContact O-N 2.99Å; L318-D322 HydrophobicContact CB-CB 3.86Å; L318-D322 HydrophobicContact CD2-CB 4.23Å; L318-K324 HydrophobicContact CB-CD 4.16Å; L318-K324 HydrophobicContact CD1-CD 4.46Å; L318-K328 HydrophobicContact CD2-CD 3.78Å; L318-K328 HydrophobicContact CD2-CG 4.1Å; L318-V329 HydrophobicContact CD1-CB 3.87Å; L318-V329 HydrophobicContact CG-CB 4.08Å; L318-V329 HydrophobicContact CG-CG2 4.31Å
319T94.3Very high94.6Very high50 Ų5045 Ų4531%0.30723%0.228SC..  trans-64.7170.8176.661.10000110.9Y317 D321 D322 K324Y317-T319 HydrophobicContact CD1-CG2 4.36Å; Y317-T319 HydrophobicContact CE1-CG2 3.98Å; T319-D321 PolarHBondContact O-N 3.31Å; T319-D322 WeakPolarHBondContact CB-OD2 3.17Å; T319-D322 PolarHBondContact N-OD2 3.35Å; T319-D322 PolarHBondContact O-N 3.21Å; T319-D322 VanDerWaalsContact OG1-CG 3.25Å; T319-D322 PolarHBondContact OG1-N 2.93Å; T319-D322 PolarHBondContact OG1-OD2 3.4Å; T319-K324 WeakPolarHBondContact O-CE 3.23Å; T319-K324 PolarHBondContact O-NZ 3.3Å
320D90.9Very high94.5Very high86 Ų8647.3 Ų47.346%0.4624%0.237SC..SBendtrans-56-37.6170.248.2-12.1000112.8H217 K324H217-D320 VanDerWaalsContact O-CB 3.3Å; H217-D320 WeakPolarHBondContact O-CB 3.36Å; D320-K324 PolarHBondContact O-NZ 3.27Å
321D89.4Confident94.4Very high148 Ų14852 Ų5279%0.79125%0.254SS*.SBendtrans-76.7-21.8178.9-68.8-35.1000114.6T319T319-D321 PolarHBondContact O-N 3.31Å
322D89.8Confident94.3Very high45 Ų4553 Ų5324%0.24126%0.259CS..SBendtrans-72.2141.6-179.7-79.7-61.8000112.4L318 T319 K324 K328L318-D322 HydrophobicContact CB-CB 3.86Å; L318-D322 HydrophobicContact CD2-CB 4.23Å; T319-D322 WeakPolarHBondContact CB-OD2 3.17Å; T319-D322 PolarHBondContact N-OD2 3.35Å; T319-D322 PolarHBondContact O-N 3.21Å; T319-D322 VanDerWaalsContact OG1-CG 3.25Å; T319-D322 PolarHBondContact OG1-N 2.93Å; T319-D322 PolarHBondContact OG1-OD2 3.4Å; D322-K324 PolarHBondContact O-N 3.4Å; D322-K324 PolarHBondContact O-NZ 2.76Å; D322-K328 IonicContact OD1-NZ 3.72Å
323P90.7Very high94.2Very high90 Ų9053 Ų5358%0.58426%0.259SS*.  trans-60126.1165.9-22.132.7000111.2S325P323-S325 PolarHBondContact O-N 2.89Å
324K90.9Very high94.1Very high13 Ų1355.4 Ų55.46%0.05727%0.272CS..  trans-78.464.4-175.2-54.8-56.5-179.7-81.70112.8S210 A213 E214 Q218 I220 L318 T319 D320 D322 Q326S210-K324 WeakPolarHBondContact CB-O 3.33Å; S210-K324 WeakPolarHBondContact O-CB 3.42Å; A213-K324 HydrophobicContact CB-CD 4.35Å; A213-K324 HydrophobicContact CB-CG 4.12Å; E214-K324 HydrophobicContact CB-CB 4.1Å; E214-K324 HydrophobicContact CB-CG 3.97Å; E214-K324 WeakPolarHBondContact OE2-CB 3.42Å; E214-K324 VanDerWaalsContact OE2-CG 3.26Å; E214-K324 WeakPolarHBondContact OE2-CG 3.2Å; E214-K324 PolarHBondContact OE2-N 2.95Å; Q218-K324 WeakPolarHBondContact O-CE 3.39Å; I220-K324 HydrophobicContact CG2-CD 3.81Å; L318-K324 HydrophobicContact CB-CD 4.16Å; L318-K324 HydrophobicContact CD1-CD 4.46Å; T319-K324 WeakPolarHBondContact O-CE 3.23Å; T319-K324 PolarHBondContact O-NZ 3.3Å; D320-K324 PolarHBondContact O-NZ 3.27Å; D322-K324 PolarHBondContact O-N 3.4Å; D322-K324 PolarHBondContact O-NZ 2.76Å; K324-Q326 PolarHBondContact O-N 2.84Å
325S91.8Very high94Very high48 Ų4858.4 Ų58.434%0.33629%0.288SS..  trans-78.3115.9176.1173.60000111.1P323 R327 K328 V329P323-S325 PolarHBondContact O-N 2.89Å; S325-R327 PolarHBondContact O-N 2.8Å; S325-K328 PolarHBondContact O-N 3.36Å; S325-K328 PolarHBondContact OG-N 3.38Å; S325-V329 PolarHBondContact O-N 3.49Å; S325-V329 VanDerWaalsContact O-N 3.11Å
326Q92Very high93.9Very high87 Ų8759 Ų5941%0.40729%0.291SS..Hα-helixtrans-57.7-35.4176.568.1-90.9800112.4L206 N207 K324 K328 V329 F330L206-Q326 HydrophobicContact CD2-CB 4.06Å; L206-Q326 HydrophobicContact CG-CB 4.01Å; N207-Q326 WeakPolarHBondContact OD1-CG 3.37Å; N207-Q326 PolarHBondContact OD1-NE2 3.44Å; N207-Q326 PolarHBondContact OD1-OE1 2.96Å; K324-Q326 PolarHBondContact O-N 2.84Å; Q326-K328 VanDerWaalsContact C-N 3.34Å; Q326-V329 WeakPolarHBondContact O-CG1 3.14Å; Q326-F330 VanDerWaalsContact O-CB 3.26Å; Q326-F330 WeakPolarHBondContact O-CB 3.47Å; Q326-F330 PolarHBondContact O-N 3.05Å
327R94Very high93.9Very high209 Ų20959.3 Ų59.379%0.78929%0.293SS*.Hα-helixtrans-69-36.1179.9-174.2177.6-179.6178.41111.3S325 K331S325-R327 PolarHBondContact O-N 2.8Å; R327-K331 VanDerWaalsContact O-CB 3.25Å; R327-K331 WeakPolarHBondContact O-CB 3.4Å; R327-K331 PolarHBondContact O-N 3.48Å; R327-K331 VanDerWaalsContact O-N 3.09Å
328K94Very high93.8Very high91 Ų9162.5 Ų62.540%0.39631%0.309SS..Hα-helixtrans-69.2-53.9178.8-176.2177.6173.3-1750110.3L318 D322 S325 Q326 F330 K331 D332L318-K328 HydrophobicContact CD2-CD 3.78Å; L318-K328 HydrophobicContact CD2-CG 4.1Å; D322-K328 IonicContact OD1-NZ 3.72Å; S325-K328 PolarHBondContact O-N 3.36Å; S325-K328 PolarHBondContact OG-N 3.38Å; Q326-K328 VanDerWaalsContact C-N 3.34Å; K328-F330 VanDerWaalsContact C-N 3.29Å; K328-F330 PolarHBondContact O-N 3.48Å; K328-K331 PolarHBondContact O-N 2.82Å; K328-K331 VanDerWaalsContact O-N 3.14Å; K328-D332 WeakPolarHBondContact CG-OD2 3.44Å; K328-D332 PolarHBondContact O-N 3.29Å
329V95.3Very high93.9Very high0 Ų064.2 Ų64.20%032%0.32CS..Hα-helixtrans-62.8-36.1-178.372.30000112.4L206 I220 L222 L318 S325 Q326 A333L206-V329 HydrophobicContact CD1-CG1 4.04Å; L206-V329 HydrophobicContact CD2-CG1 4.44Å; I220-V329 HydrophobicContact CG2-CG2 4.5Å; L222-V329 HydrophobicContact CB-CG2 3.88Å; L318-V329 HydrophobicContact CD1-CB 3.87Å; L318-V329 HydrophobicContact CG-CB 4.08Å; L318-V329 HydrophobicContact CG-CG2 4.31Å; S325-V329 PolarHBondContact O-N 3.49Å; S325-V329 VanDerWaalsContact O-N 3.11Å; Q326-V329 WeakPolarHBondContact O-CG1 3.14Å; V329-A333 WeakPolarHBondContact O-CB 3.39Å; V329-A333 PolarHBondContact O-N 3.44Å; V329-A333 VanDerWaalsContact O-N 3.1Å
330F96Very high93.9Very high70 Ų7061.9 Ų61.931%0.30731%0.305SS..Hα-helixtrans-62.2-51.3172.9-173.1-86.7000111.7F202 L222 L224 Q326 K328 D332 A333 D334F202-F330 AromaticContact CE1-CD2 3.81Å; F202-F330 HydrophobicContact CE1-CD2 3.81Å; F202-F330 AromaticContact CE1-CE2 3.72Å; F202-F330 HydrophobicContact CE1-CE2 3.72Å; F202-F330 AromaticContact CZ-CD2 3.77Å; F202-F330 HydrophobicContact CZ-CD2 3.77Å; F202-F330 AromaticContact CZ-CE2 3.94Å; F202-F330 HydrophobicContact CZ-CE2 3.94Å; L222-F330 HydrophobicContact CD2-CB 4.24Å; L222-F330 HydrophobicContact CD2-CD2 3.9Å; L222-F330 HydrophobicContact CD2-CG 4.43Å; L224-F330 HydrophobicContact CD1-CE2 4.14Å; L224-F330 HydrophobicContact CD1-CZ 4.22Å; L224-F330 HydrophobicContact CD2-CE2 4.19Å; Q326-F330 VanDerWaalsContact O-CB 3.26Å; Q326-F330 WeakPolarHBondContact O-CB 3.47Å; Q326-F330 PolarHBondContact O-N 3.05Å; K328-F330 VanDerWaalsContact C-N 3.29Å; K328-F330 PolarHBondContact O-N 3.48Å; F330-D332 VanDerWaalsContact C-N 3.34Å; F330-D332 PolarHBondContact O-N 3.42Å; F330-A333 PolarHBondContact O-N 2.86Å; F330-D334 HydrophobicContact CE1-CB 4.31Å; F330-D334 WeakPolarHBondContact O-CB 3.33Å; F330-D334 PolarHBondContact O-N 3.33Å
331K95.1Very high94.1Very high123 Ų12360.4 Ų60.454%0.53529%0.294SS..Hα-helixtrans-60.6-43.9179.7-176.5-179.7176.4-172.10111.8R327 K328 A333 D334 D335R327-K331 VanDerWaalsContact O-CB 3.25Å; R327-K331 WeakPolarHBondContact O-CB 3.4Å; R327-K331 PolarHBondContact O-N 3.48Å; R327-K331 VanDerWaalsContact O-N 3.09Å; K328-K331 PolarHBondContact O-N 2.82Å; K328-K331 VanDerWaalsContact O-N 3.14Å; K331-A333 VanDerWaalsContact C-N 3.31Å; K331-A333 PolarHBondContact O-N 2.91Å; K331-D334 PolarHBondContact O-N 3.3Å; K331-D335 WeakPolarHBondContact CE-OD2 3.35Å; K331-D335 WeakPolarHBondContact O-CB 3.5Å; K331-D335 VanDerWaalsContact O-CG 3.29Å; K331-D335 PolarHBondContact O-N 2.93Å
332D95.2Very high94.3Very high21 Ų2160.1 Ų60.111%0.11229%0.293CS..Hα-helixtrans-61.2-41.5178.5-71.6-33.1000111.2K328 F330 M336 N351K328-D332 WeakPolarHBondContact CG-OD2 3.44Å; K328-D332 PolarHBondContact O-N 3.29Å; F330-D332 VanDerWaalsContact C-N 3.34Å; F330-D332 PolarHBondContact O-N 3.42Å; D332-M336 WeakPolarHBondContact O-CB 3.41Å; D332-M336 WeakPolarHBondContact O-CG 3.04Å; D332-M336 PolarHBondContact O-N 2.96Å; D332-N351 PolarHBondContact OD1-ND2 3.02Å; D332-N351 VanDerWaalsContact OD1-ND2 3.14Å
333A96.4Very high94.5Very high0 Ų062.8 Ų62.80%030%0.304CS..Hα-helixtrans-66.7-42.417600000112.3L222 L224 G314 V329 F330 K331 M336 V337L222-A333 HydrophobicContact CB-CB 4.25Å; L222-A333 HydrophobicContact CD2-CB 3.86Å; L222-A333 HydrophobicContact CG-CB 4.01Å; L224-A333 HydrophobicContact CB-CB 4.25Å; L224-A333 HydrophobicContact CD1-CB 3.78Å; L224-A333 HydrophobicContact CG-CB 3.67Å; G314-A333 WeakPolarHBondContact CA-O 3.39Å; V329-A333 WeakPolarHBondContact O-CB 3.39Å; V329-A333 PolarHBondContact O-N 3.44Å; V329-A333 VanDerWaalsContact O-N 3.1Å; F330-A333 PolarHBondContact O-N 2.86Å; K331-A333 VanDerWaalsContact C-N 3.31Å; K331-A333 PolarHBondContact O-N 2.91Å; A333-M336 PolarHBondContact O-N 3.2Å; A333-V337 PolarHBondContact O-N 3.41Å
334D96Very high94.6Very high50 Ų5061.3 Ų61.327%0.26731%0.305SS..Hα-helixtrans-64.9-47.1-179.2-173.253000111.7L224 F330 K331 M336 V337 H338L224-D334 HydrophobicContact CD1-CB 3.94Å; F330-D334 HydrophobicContact CE1-CB 4.31Å; F330-D334 WeakPolarHBondContact O-CB 3.33Å; F330-D334 PolarHBondContact O-N 3.33Å; K331-D334 PolarHBondContact O-N 3.3Å; D334-M336 PolarHBondContact O-N 3.06Å; D334-V337 WeakPolarHBondContact O-CB 3.35Å; D334-V337 PolarHBondContact O-N 3.29Å; D334-V337 VanDerWaalsContact O-N 3.08Å; D334-H338 PolarHBondContact O-CD2 3.44Å; D334-H338 VanDerWaalsContact O-CD2 3.31Å; D334-H338 PolarHBondContact O-N 3.06Å; D334-H338 IonicContact OD2-NE2 3.99Å
335D96.1Very high94.9Very high63 Ų6366.9 Ų66.934%0.33733%0.326SS..Hα-helixtrans-56.3-39.1173.6-73.1-21000110.4K331 H338 V339K331-D335 WeakPolarHBondContact CE-OD2 3.35Å; K331-D335 WeakPolarHBondContact O-CB 3.5Å; K331-D335 VanDerWaalsContact O-CG 3.29Å; K331-D335 PolarHBondContact O-N 2.93Å; D335-H338 WeakPolarHBondContact O-CB 3.38Å; D335-H338 PolarHBondContact O-N 3.13Å; D335-V339 WeakPolarHBondContact O-CG2 3.48Å; D335-V339 PolarHBondContact O-N 3.24Å
336M96.4Very high95.2Very high12 Ų1266.8 Ų66.86%0.05932%0.321CS..Hα-helixtrans-72.1-33.4177.6-69.3-56.299.600113.6D332 A333 D334 H338 V339 A340 M349 N351 I353D332-M336 WeakPolarHBondContact O-CB 3.41Å; D332-M336 WeakPolarHBondContact O-CG 3.04Å; D332-M336 PolarHBondContact O-N 2.96Å; A333-M336 PolarHBondContact O-N 3.2Å; D334-M336 PolarHBondContact O-N 3.06Å; M336-H338 VanDerWaalsContact C-N 3.31Å; M336-V339 HydrophobicContact CE-CG2 4Å; M336-V339 PolarHBondContact O-N 3.48Å; M336-A340 WeakPolarHBondContact O-CB 3.35Å; M336-A340 PolarHBondContact O-N 2.68Å; M336-M349 HydrophobicContact CB-CB 4Å; M336-M349 WeakPolarHBondContact CB-O 3.45Å; M336-M349 HydrophobicContact CG-CB 4.48Å; M336-M349 WeakPolarHBondContact O-CB 3.33Å; M336-M349 HydrophobicContact SD-CB 4.06Å; M336-N351 HydrophobicContact CE-CB 4.44Å; M336-N351 HydrophobicContact CG-CB 4.19Å; M336-N351 HydrophobicContact SD-CB 4.26Å; M336-I353 HydrophobicContact CE-CD1 4.22Å; M336-I353 HydrophobicContact CE-CG1 4.31Å; M336-I353 HydrophobicContact SD-CD1 4.37Å; M336-I353 HydrophobicContact SD-CG1 3.98Å
337V96.4Very high95.4Very high8 Ų865.3 Ų65.35%0.04831%0.313CS..Hα-helixtrans-61.3-43.9170.1172.60000110L224 D226 A333 D334 V339 A340 K341L224-V337 HydrophobicContact CB-CG2 3.61Å; L224-V337 WeakPolarHBondContact O-CG2 3.37Å; D226-V337 HydrophobicContact CB-CG1 3.96Å; A333-V337 PolarHBondContact O-N 3.41Å; D334-V337 WeakPolarHBondContact O-CB 3.35Å; D334-V337 PolarHBondContact O-N 3.29Å; D334-V337 VanDerWaalsContact O-N 3.08Å; V337-V339 PolarHBondContact O-N 3.01Å; V337-A340 WeakPolarHBondContact O-CB 3.21Å; V337-A340 PolarHBondContact O-N 3.3Å; V337-K341 HydrophobicContact CG1-CD 4.26Å; V337-K341 WeakPolarHBondContact O-CG 3.26Å; V337-K341 PolarHBondContact O-N 3.3Å
338H95Very high95.6Very high97 Ų9755.9 Ų55.945%0.44928%0.279SS..Hα-helixtrans-60.9-43.8176.5-75.9-58000112.4D334 D335 M336 K341 N342D334-H338 PolarHBondContact O-CD2 3.44Å; D334-H338 VanDerWaalsContact O-CD2 3.31Å; D334-H338 PolarHBondContact O-N 3.06Å; D334-H338 IonicContact OD2-NE2 3.99Å; D335-H338 WeakPolarHBondContact O-CB 3.38Å; D335-H338 PolarHBondContact O-N 3.13Å; M336-H338 VanDerWaalsContact C-N 3.31Å; H338-K341 PolarHBondContact O-N 2.89Å; H338-N342 WeakPolarHBondContact O-CB 3.41Å; H338-N342 VanDerWaalsContact O-CG 3.27Å; H338-N342 PolarHBondContact O-N 3.27Å; H338-N342 PolarHBondContact O-ND2 3.37Å
339V95.5Very high95.7Very high38 Ų3852.6 Ų52.623%0.2327%0.265CS..Hα-helixtrans-62.4-43.4174.8177.30000111D335 M336 V337 K341 N342 Q343 M349D335-V339 WeakPolarHBondContact O-CG2 3.48Å; D335-V339 PolarHBondContact O-N 3.24Å; M336-V339 HydrophobicContact CE-CG2 4Å; M336-V339 PolarHBondContact O-N 3.48Å; V337-V339 PolarHBondContact O-N 3.01Å; V339-K341 VanDerWaalsContact C-N 3.34Å; V339-K341 PolarHBondContact O-N 3.04Å; V339-N342 PolarHBondContact O-N 2.69Å; V339-Q343 HydrophobicContact CG1-CG 4.2Å; V339-Q343 WeakPolarHBondContact O-CB 3.33Å; V339-Q343 WeakPolarHBondContact O-CG 3.26Å; V339-Q343 PolarHBondContact O-N 3.41Å; V339-M349 HydrophobicContact CB-CG 4.32Å; V339-M349 HydrophobicContact CG1-CE 3.7Å; V339-M349 HydrophobicContact CG1-CG 4.04Å; V339-M349 HydrophobicContact CG1-SD 4.42Å
340A95.5Very high95.7Very high0 Ų053.8 Ų53.80%027%0.271CS..Hα-helixtrans-57.7-46.9178.100000111.5M336 V337 Q343 R345 K347 M349M336-A340 WeakPolarHBondContact O-CB 3.35Å; M336-A340 PolarHBondContact O-N 2.68Å; V337-A340 WeakPolarHBondContact O-CB 3.21Å; V337-A340 PolarHBondContact O-N 3.3Å; A340-Q343 PolarHBondContact O-N 3.09Å; A340-R345 WeakPolarHBondContact O-CA 3.29Å; A340-R345 PolarHBondContact O-N 3.49Å; A340-K347 HydrophobicContact CB-CD 4.48Å; A340-K347 HydrophobicContact CB-CG 3.74Å; A340-M349 HydrophobicContact CB-CB 4.29Å; A340-M349 HydrophobicContact CB-CG 3.65Å
341K94.5Very high94.9Very high55 Ų5553.2 Ų53.224%0.23927%0.271CS..Hα-helixtrans-62.2-45.1177-73.4-179.2174.4-178.20112.2D226 V337 H338 V339 Q343 G344 R345D226-K341 WeakPolarHBondContact OD1-CE 3.48Å; D226-K341 IonicContact OD1-NZ 3.3Å; D226-K341 PolarHBondContact OD1-NZ 3.25Å; D226-K341 WeakPolarHBondContact OD2-CE 3.35Å; D226-K341 IonicContact OD2-NZ 2.83Å; D226-K341 PolarHBondContact OD2-NZ 3.39Å; V337-K341 HydrophobicContact CG1-CD 4.26Å; V337-K341 WeakPolarHBondContact O-CG 3.26Å; V337-K341 PolarHBondContact O-N 3.3Å; H338-K341 PolarHBondContact O-N 2.89Å; V339-K341 VanDerWaalsContact C-N 3.34Å; V339-K341 PolarHBondContact O-N 3.04Å; K341-Q343 VanDerWaalsContact C-N 3.33Å; K341-Q343 PolarHBondContact O-N 3.22Å; K341-G344 PolarHBondContact O-N 3.4Å; K341-R345 HydrophobicContact CB-CG 4.45Å; K341-R345 HydrophobicContact CG-CG 4.44Å; K341-R345 PolarHBondContact O-N 3.37Å
342N94.5Very high93.7Very high142 Ų14251.1 Ų51.176%0.75927%0.27SS*.Hα-helixtrans-69.7-28.3-178.2-72.7-21.1000113.5H338 V339 G344H338-N342 WeakPolarHBondContact O-CB 3.41Å; H338-N342 VanDerWaalsContact O-CG 3.27Å; H338-N342 PolarHBondContact O-N 3.27Å; H338-N342 PolarHBondContact O-ND2 3.37Å; V339-N342 PolarHBondContact O-N 2.69Å; N342-G344 PolarHBondContact O-N 3.23Å
343Q92.8Very high92Very high102 Ų10254 Ų5448%0.47728%0.284SS..THydrogen-bonded Turntrans-84.811.5176.4-68-171.5-1.800113.6V339 A340 K341 K347 M349V339-Q343 HydrophobicContact CG1-CG 4.2Å; V339-Q343 WeakPolarHBondContact O-CB 3.33Å; V339-Q343 WeakPolarHBondContact O-CG 3.26Å; V339-Q343 PolarHBondContact O-N 3.41Å; A340-Q343 PolarHBondContact O-N 3.09Å; K341-Q343 VanDerWaalsContact C-N 3.33Å; K341-Q343 PolarHBondContact O-N 3.22Å; Q343-K347 HydrophobicContact CB-CD 3.85Å; Q343-K347 VanDerWaalsContact O-CE 3.23Å; Q343-K347 WeakPolarHBondContact O-CE 3.49Å; Q343-K347 PolarHBondContact O-NZ 3.37Å; Q343-M349 PolarHBondContact OE1-SD 3.25Å
344G94.1Very high89.8Confident58 Ų5858.7 Ų58.760%0.59831%0.309SS*.THydrogen-bonded Turntrans10616.7175.400000115.3K341 N342K341-G344 PolarHBondContact O-N 3.4Å; N342-G344 PolarHBondContact O-N 3.23Å
345R96.4Very high87.3Confident131 Ų13163.1 Ų63.149%0.49433%0.332SS..SBendtrans63.1-171175.1-62.6-179.5-179.587-1.2113.6D228 S312 A340 K341 K347D228-R345 HydrophobicContact CB-CB 4.44Å; D228-R345 WeakPolarHBondContact OD1-CB 3.33Å; D228-R345 WeakPolarHBondContact OD1-CD 3.43Å; D228-R345 WeakPolarHBondContact OD1-CG 3.44Å; S312-R345 WeakPolarHBondContact OG-CA 3.49Å; A340-R345 WeakPolarHBondContact O-CA 3.29Å; A340-R345 PolarHBondContact O-N 3.49Å; K341-R345 HydrophobicContact CB-CG 4.45Å; K341-R345 HydrophobicContact CG-CG 4.44Å; K341-R345 PolarHBondContact O-N 3.37Å; R345-K347 VanDerWaalsContact C-N 3.28Å; R345-K347 WeakPolarHBondContact O-CE 3.47Å; R345-K347 PolarHBondContact O-N 3.1Å
346N97.8Very high84.6Confident46 Ų4670.3 Ų70.325%0.24637%0.369CS..SBendtrans45.750.1177.6-171.423.8000112.9D228 R291 E295 V311 S312D228-N346 PolarHBondContact OD2-N 3.25Å; R291-N346 VanDerWaalsContact CD-C 3.49Å; R291-N346 WeakPolarHBondContact CD-O 3.05Å; R291-N346 PolarHBondContact NH1-OD1 3.08Å; E295-N346 PolarHBondContact OE1-ND2 2.87Å; V311-N346 WeakPolarHBondContact O-CA 3.32Å; S312-N346 PolarHBondContact OG-N 2.84Å
347K97.3Very high84Confident55 Ų5573.2 Ų73.224%0.23939%0.385CS..  trans-153.2159.7-17965.3-175.274-155.50112.4I313 A340 Q343 R345 M349I313-K347 PolarHBondContact N-O 3.22Å; A340-K347 HydrophobicContact CB-CD 4.48Å; A340-K347 HydrophobicContact CB-CG 3.74Å; Q343-K347 HydrophobicContact CB-CD 3.85Å; Q343-K347 VanDerWaalsContact O-CE 3.23Å; Q343-K347 WeakPolarHBondContact O-CE 3.49Å; Q343-K347 PolarHBondContact O-NZ 3.37Å; R345-K347 VanDerWaalsContact C-N 3.28Å; R345-K347 WeakPolarHBondContact O-CE 3.47Å; R345-K347 PolarHBondContact O-N 3.1Å; K347-M349 HydrophobicContact CD-CG 4.35Å; K347-M349 HydrophobicContact CD-SD 4.02Å; K347-M349 HydrophobicContact CG-CG 4.33Å; K347-M349 HydrophobicContact CG-SD 4.43Å
348V97.6Very high83.4Confident12 Ų1276.6 Ų76.67%0.07340%0.403CS..EExtended strand (participates in β ladder)trans-98.7129.9169.3-177.30000108.9A287 E288 R291 I313 V315A287-V348 HydrophobicContact CB-CB 4.37Å; A287-V348 HydrophobicContact CB-CG1 3.62Å; A287-V348 HydrophobicContact CB-CG2 3.75Å; E288-V348 HydrophobicContact CB-CG2 4.48Å; E288-V348 HydrophobicContact CG-CB 4.29Å; E288-V348 HydrophobicContact CG-CG2 3.85Å; E288-V348 VanDerWaalsContact OE1-CB 3.24Å; E288-V348 WeakPolarHBondContact OE1-CB 3.41Å; E288-V348 WeakPolarHBondContact OE1-CG2 3.47Å; R291-V348 HydrophobicContact CB-CG2 4.21Å; I313-V348 HydrophobicContact CB-CG2 4.18Å; I313-V348 HydrophobicContact CD1-CG2 4.45Å; I313-V348 CarbonylContact O-C 3.53Å; I313-V348 WeakPolarHBondContact O-CA 3.46Å; V315-V348 HydrophobicContact CG2-CG1 3.68Å
349M96.9Very high82.7Confident21 Ų2175.5 Ų75.510%0.10340%0.4CS..EExtended strand (participates in β ladder)trans-120.8149169.3-61.7-57.7-59.300109.6I313 G314 V315 M336 V339 A340 Q343 K347 I353I313-M349 PolarHBondContact O-N 3.24Å; G314-M349 CarbonylContact C-O 3.38Å; G314-M349 WeakPolarHBondContact CA-O 3.4Å; V315-M349 PolarHBondContact N-O 3.4Å; M336-M349 HydrophobicContact CB-CB 4Å; M336-M349 WeakPolarHBondContact CB-O 3.45Å; M336-M349 HydrophobicContact CG-CB 4.48Å; M336-M349 WeakPolarHBondContact O-CB 3.33Å; M336-M349 HydrophobicContact SD-CB 4.06Å; V339-M349 HydrophobicContact CB-CG 4.32Å; V339-M349 HydrophobicContact CG1-CE 3.7Å; V339-M349 HydrophobicContact CG1-CG 4.04Å; V339-M349 HydrophobicContact CG1-SD 4.42Å; A340-M349 HydrophobicContact CB-CB 4.29Å; A340-M349 HydrophobicContact CB-CG 3.65Å; Q343-M349 PolarHBondContact OE1-SD 3.25Å; K347-M349 HydrophobicContact CD-CG 4.35Å; K347-M349 HydrophobicContact CD-SD 4.02Å; K347-M349 HydrophobicContact CG-CG 4.33Å; K347-M349 HydrophobicContact CG-SD 4.43Å; M349-I353 HydrophobicContact CE-CG2 4.36Å
350F94Very high82Confident25 Ų2577.7 Ų77.711%0.1141%0.41CS..EExtended strand (participates in β ladder)trans-147.2151.6-176.256.6-91.5000111.4L280 V284 V315 P352 I353 I354L280-F350 HydrophobicContact CD1-CB 4.47Å; L280-F350 HydrophobicContact CD1-CD2 4.36Å; L280-F350 HydrophobicContact CD2-CD2 4.26Å; V284-F350 HydrophobicContact CG1-CD1 4.08Å; V284-F350 HydrophobicContact CG1-CE1 4.01Å; V284-F350 HydrophobicContact CG2-CB 4.08Å; V284-F350 HydrophobicContact CG2-CD1 3.65Å; V284-F350 HydrophobicContact CG2-CD2 4.32Å; V284-F350 HydrophobicContact CG2-CE1 4.13Å; V284-F350 HydrophobicContact CG2-CG 3.77Å; V315-F350 HydrophobicContact CB-CB 3.71Å; V315-F350 HydrophobicContact CG1-CB 4.47Å; V315-F350 HydrophobicContact CG2-CB 4.2Å; V315-F350 WeakPolarHBondContact O-CA 3.16Å; F350-P352 WeakPolarHBondContact CD2-O 3.46Å; F350-P352 CarbonylContact O-C 3.58Å; F350-I353 WeakPolarHBondContact O-CA 3.23Å; F350-I353 PolarHBondContact O-N 3.2Å; F350-I354 HydrophobicContact CE2-CB 4.06Å; F350-I354 HydrophobicContact CE2-CD1 4.38Å; F350-I354 HydrophobicContact CE2-CG1 4.22Å; F350-I354 HydrophobicContact CZ-CB 4.39Å
351N79.2Confident81.1Confident58 Ų5882.6 Ų82.631%0.3144%0.436SS..SBendtrans-110.4131.3177.3-171.85.7000110V315 D332 M336V315-N351 PolarHBondContact O-N 3.46Å; D332-N351 PolarHBondContact OD1-ND2 3.02Å; D332-N351 VanDerWaalsContact OD1-ND2 3.14Å; M336-N351 HydrophobicContact CE-CB 4.44Å; M336-N351 HydrophobicContact CG-CB 4.19Å; M336-N351 HydrophobicContact SD-CB 4.26Å
352P69.6Low80.2Confident80 Ų8084.4 Ų84.452%0.51945%0.449SS..SBendcis-62.4137.1-4.527.2-33.5000112.4F350 I354F350-P352 WeakPolarHBondContact CD2-O 3.46Å; F350-P352 CarbonylContact O-C 3.58Å; P352-I354 VanDerWaalsContact C-N 3.34Å; P352-I354 PolarHBondContact O-N 2.97Å
353I60.2Low79.2Confident80 Ų8080.3 Ų80.341%0.4143%0.427SS..  trans-6798.1174.6-55.1173.7000106.7M336 M349 F350 N355M336-I353 HydrophobicContact CE-CD1 4.22Å; M336-I353 HydrophobicContact CE-CG1 4.31Å; M336-I353 HydrophobicContact SD-CD1 4.37Å; M336-I353 HydrophobicContact SD-CG1 3.98Å; M349-I353 HydrophobicContact CE-CG2 4.36Å; F350-I353 WeakPolarHBondContact O-CA 3.23Å; F350-I353 PolarHBondContact O-N 3.2Å; I353-N355 PolarHBondContact O-N 3.02Å
354I49.1Very low78.2Confident100 Ų10078.6 Ų78.651%0.51342%0.423SS..  trans-82.5104.6163.1-56.2173.7000104.1F350 P352 L356F350-I354 HydrophobicContact CE2-CB 4.06Å; F350-I354 HydrophobicContact CE2-CD1 4.38Å; F350-I354 HydrophobicContact CE2-CG1 4.22Å; F350-I354 HydrophobicContact CZ-CB 4.39Å; P352-I354 VanDerWaalsContact C-N 3.34Å; P352-I354 PolarHBondContact O-N 2.97Å; I354-L356 VanDerWaalsContact C-N 3.27Å; I354-L356 PolarHBondContact O-N 3.49Å
355N43.7Very low76.8Confident142 Ų14280.3 Ų80.376%0.75941%0.408SS*.  trans-60.699.3164.3-75.6-22.4000106.4I353I353-N355 PolarHBondContact O-N 3.02Å
356L40.3Very low75.1Confident214 Ų21475.7 Ų75.7100%1.1240%0.4SS*.  trans-63.20159.8-69.4168000108.4I354I354-L356 VanDerWaalsContact C-N 3.27Å; I354-L356 PolarHBondContact O-N 3.49Å

Retrieved 356 of 356 residues in 543.1 ms (Link to these results)

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