RB11B_RAT Loading...

Ras-related protein Rab-11B

The small GTPases Rab are key regulators of intracellular membrane trafficking, from the formation of transport vesicles to their fusion with membranes. Rabs cycle between an inactive GDP-bound form and an active GTP-bound form that is able to recruit to membranes different set of downstream effectors directly responsible for vesicle formation, movement, tethering and fusion. RAB11B plays a role in endocytic recycling, regulating apical recycling of several transmembrane proteins including cystic fibrosis transmembrane conductance regulator/CFTR, epithelial sodium channel/ENaC, potassium voltage-gated channel, and voltage-dependent L-type calcium channel. May also regulate constitutive and regulated secretion, like insulin granule exocytosis. Required for melanosome transport and release from melanocytes. Also regulates V-ATPase intracellular transport in response to extracellular acidosis. Promotes Rabin8/RAB3IP preciliary vesicular trafficking to mother centriole by forming a ciliary targeting complex containing Rab11, ASAP1, Rabin8/RAB3IP, RAB11FIP3 and ARF4, thereby regulating ciliogenesis initiation. On the contrary, upon LPAR1 receptor signaling pathway activation, interaction with phosphorylated WDR44 prevents Rab11-RAB3IP-RAB11FIP3 complex formation and cilia growth. Also interacts with RABL3 to promote ciliary vesicle formation (By similarity).

AlphaFold DB , UniProt , Accession O35509, Species RAT (Rattus norvegicus, Rat), Gene Rab11b, Length 218 aa.

Structure Viewer
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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
1M39.2Very low71.1Confident243 Ų243119.4 Ų119.4100%1.19761%0.61SS**  098.10-87.5168164.600106.9T3M1-T3 PolarHBondContact O-N 2.73Å
2G46.3Very low73.2Confident76 Ų76110 Ų11078%0.78456%0.562SS**  trans-70.1122.8170.800000108.2R4G2-R4 PolarHBondContact O-N 3.01Å
3T50.9Low74.9Confident95 Ų95104.5 Ų104.558%0.58353%0.531SS*.  trans-63.8130.2173.639.70000108.4M1 D5 D6M1-T3 PolarHBondContact O-N 2.73Å; T3-D5 PolarHBondContact O-N 3.22Å; T3-D6 PolarHBondContact O-N 3Å
4R56.9Low76.5Confident232 Ų23297.1 Ų97.188%0.87549%0.494SS*.G310 helixtrans-55.1-11.2-179.2-75.4179.1174.2166.7-3114.6G2 D6 E7G2-R4 PolarHBondContact O-N 3.01Å; R4-D6 PolarHBondContact O-N 3.13Å; R4-E7 PolarHBondContact O-N 3.35Å
5D58.8Low77.8Confident135 Ų13590.6 Ų90.672%0.72246%0.461SS*.G310 helixtrans-68.2-8.5177-70.1-24.4000114.6T3T3-D5 PolarHBondContact O-N 3.22Å
6D66.6Low78.9Confident101 Ų10184.9 Ų84.954%0.5443%0.432SS..G310 helixtrans-94.2-8.7176.1-75.3-39.2000114.7T3 R4 Y8 K61T3-D6 PolarHBondContact O-N 3Å; R4-D6 PolarHBondContact O-N 3.13Å; D6-Y8 WeakPolarHBondContact O-CD1 3.49Å; D6-K61 IonicContact OD1-NZ 3.69Å; D6-K61 PolarHBondContact OD1-NZ 3.46Å
7E85.5Confident79.9Confident157 Ų15779.9 Ų79.973%0.73441%0.407SS*.  trans-84.2120.4177.5-163.6169.8-171.900110.2R4R4-E7 PolarHBondContact O-N 3.35Å
8Y91.8Very high80.7Confident100 Ų10075.5 Ų75.539%0.39238%0.384SS..  trans-138.8145.1177.156.6-93000110.3D6 Y10 L11 K61D6-Y8 WeakPolarHBondContact O-CD1 3.49Å; Y8-Y10 WeakPolarHBondContact CD2-O 3.27Å; Y8-L11 HydrophobicContact CD2-CB 4.12Å; Y8-L11 HydrophobicContact CE2-CB 3.63Å; Y8-L11 HydrophobicContact CE2-CD1 4.37Å; Y8-L11 HydrophobicContact CE2-CG 4.42Å; Y8-K61 HydrophobicContact CD1-CB 4.06Å; Y8-K61 HydrophobicContact CD1-CD 3.54Å; Y8-K61 HydrophobicContact CD1-CG 4.45Å; Y8-K61 HydrophobicContact CD2-CB 4.37Å; Y8-K61 HydrophobicContact CE1-CD 3.84Å; Y8-K61 HydrophobicContact CG-CB 3.83Å; Y8-K61 HydrophobicContact CG-CD 4.21Å
9D94Very high81.4Confident73 Ų7372.5 Ų72.539%0.3937%0.369SS..SBendtrans-79.3-34.1174.3-63.4-95.2000111.1K58 T59D9-K58 HydrophobicContact CB-CB 4.18Å; D9-K58 HydrophobicContact CB-CD 3.95Å; D9-K58 VanDerWaalsContact CG-CD 3.42Å; D9-K58 VanDerWaalsContact OD1-CD 3.26Å; D9-K58 WeakPolarHBondContact OD1-CD 3.36Å; D9-K58 IonicContact OD1-NZ 2.89Å; D9-K58 PolarHBondContact OD1-NZ 3.32Å; D9-K58 WeakPolarHBondContact OD2-CA 3.21Å; D9-T59 PolarHBondContact N-O 3.48Å; D9-T59 PolarHBondContact OD2-N 3.34Å
10Y95.9Very high82Confident28 Ų2870.8 Ų70.811%0.1136%0.364CS..EExtended strand (participates in β ladder)trans-137.7142.9-176.9-62.3-90.6000111.7Y8 F12 K58 T59 I60 K61 Y173 V176 Q180Y8-Y10 WeakPolarHBondContact CD2-O 3.27Å; Y10-F12 AromaticContact CD1-CE1 3.97Å; Y10-F12 HydrophobicContact CD1-CE1 3.97Å; Y10-F12 AromaticContact CD1-CZ 3.9Å; Y10-F12 HydrophobicContact CD1-CZ 3.9Å; Y10-F12 HydrophobicContact CG-CE1 4.22Å; Y10-F12 AromaticContact CG-CZ 3.93Å; Y10-F12 HydrophobicContact CG-CZ 3.93Å; Y10-K58 HydrophobicContact CD2-CB 4.24Å; Y10-K58 HydrophobicContact CE2-CB 4.11Å; Y10-K58 HydrophobicContact CE2-CD 4.37Å; Y10-K58 HydrophobicContact CE2-CG 4.11Å; Y10-T59 PolarHBondContact N-O 3.44Å; Y10-I60 HydrophobicContact CD2-CG1 4.48Å; Y10-K61 PolarHBondContact O-N 2.95Å; Y10-Y173 HydrophobicContact CD2-CD2 4.04Å; Y10-Y173 HydrophobicContact CD2-CE2 4.03Å; Y10-Y173 AromaticContact CE2-CD2 3.9Å; Y10-Y173 HydrophobicContact CE2-CD2 3.9Å; Y10-Y173 AromaticContact CE2-CE2 3.47Å; Y10-Y173 HydrophobicContact CE2-CE2 3.47Å; Y10-Y173 VanDerWaalsContact CE2-CE2 3.47Å; Y10-Y173 AromaticContact CZ-CE2 3.82Å; Y10-V176 HydrophobicContact CD1-CG1 4.1Å; Y10-V176 HydrophobicContact CE1-CG1 3.95Å; Y10-Q180 PolarHBondContact OH-OE1 2.95Å
11L95.7Very high82.5Confident73 Ų7370 Ų7038%0.38237%0.373SS..EExtended strand (participates in β ladder)trans-117.2114.1172.3-17569.7000109.1Y8 K61 Q63Y8-L11 HydrophobicContact CD2-CB 4.12Å; Y8-L11 HydrophobicContact CE2-CB 3.63Å; Y8-L11 HydrophobicContact CE2-CD1 4.37Å; Y8-L11 HydrophobicContact CE2-CG 4.42Å; L11-K61 WeakPolarHBondContact CA-O 3.41Å; L11-K61 HydrophobicContact CD1-CB 3.91Å; L11-K61 HydrophobicContact CD1-CD 4.22Å; L11-K61 HydrophobicContact CD1-CG 3.96Å; L11-Q63 HydrophobicContact CD1-CG 3.77Å; L11-Q63 HydrophobicContact CG-CG 4.44Å
12F96.6Very high85.3Confident7 Ų758.4 Ų58.43%0.03132%0.316CS..EExtended strand (participates in β ladder)trans-114.5123-179-64.1-25.1000111.5Y10 I60 K61 A62 Q63 V85 L169 I172 V176Y10-F12 AromaticContact CD1-CE1 3.97Å; Y10-F12 HydrophobicContact CD1-CE1 3.97Å; Y10-F12 AromaticContact CD1-CZ 3.9Å; Y10-F12 HydrophobicContact CD1-CZ 3.9Å; Y10-F12 HydrophobicContact CG-CE1 4.22Å; Y10-F12 AromaticContact CG-CZ 3.93Å; Y10-F12 HydrophobicContact CG-CZ 3.93Å; F12-I60 HydrophobicContact CB-CG2 4.46Å; F12-I60 HydrophobicContact CD2-CD1 4.49Å; F12-I60 HydrophobicContact CD2-CG2 3.32Å; F12-I60 HydrophobicContact CE2-CD1 3.89Å; F12-I60 HydrophobicContact CE2-CG1 4.2Å; F12-I60 HydrophobicContact CE2-CG2 3.67Å; F12-I60 HydrophobicContact CG-CG2 4.04Å; F12-K61 PolarHBondContact N-O 3.1Å; F12-A62 CarbonylContact O-C 3.59Å; F12-A62 WeakPolarHBondContact O-CA 3.18Å; F12-Q63 PolarHBondContact O-N 3.28Å; F12-V85 HydrophobicContact CB-CG2 3.8Å; F12-V85 HydrophobicContact CD1-CG2 4.07Å; F12-V85 HydrophobicContact CG-CG2 4.12Å; F12-L169 HydrophobicContact CB-CD2 4.07Å; F12-L169 HydrophobicContact CD2-CD2 3.98Å; F12-I172 HydrophobicContact CD1-CG2 3.86Å; F12-I172 HydrophobicContact CD2-CB 4.13Å; F12-I172 HydrophobicContact CD2-CG2 3.67Å; F12-I172 HydrophobicContact CE1-CG2 3.87Å; F12-I172 HydrophobicContact CE2-CB 4.11Å; F12-I172 HydrophobicContact CE2-CG2 3.68Å; F12-I172 HydrophobicContact CG-CG2 3.79Å; F12-I172 HydrophobicContact CZ-CG2 3.8Å; F12-V176 HydrophobicContact CE1-CB 4.4Å; F12-V176 HydrophobicContact CE1-CG1 4.4Å; F12-V176 HydrophobicContact CE1-CG2 4.11Å; F12-V176 HydrophobicContact CZ-CB 4.39Å; F12-V176 HydrophobicContact CZ-CG2 4.39Å
13K96Very high87.6Confident38 Ų3855.4 Ų55.417%0.16529%0.285CS..EExtended strand (participates in β ladder)trans-86.5118.7171.4-179.8173.6174.7-171.70110.1Q63 Y80 R82 A84 V85 G86K13-Q63 WeakPolarHBondContact CA-O 3.46Å; K13-Y80 WeakPolarHBondContact CE-O 3.19Å; K13-Y80 PolarHBondContact NZ-O 3.18Å; K13-R82 PolarHBondContact NZ-O 3.05Å; K13-A84 HydrophobicContact CG-CB 4.35Å; K13-A84 WeakPolarHBondContact O-CA 3.12Å; K13-V85 WeakPolarHBondContact O-CG2 3.49Å; K13-V85 PolarHBondContact O-N 3.31Å; K13-G86 PolarHBondContact O-N 3.48Å
14V96.8Very high89.8Confident1 Ų151.3 Ų51.31%0.00626%0.259CS..EExtended strand (participates in β ladder)trans-120.2135178.4-179.20000109.7Q63 I64 W65 G86 L88 L169 I172V14-Q63 PolarHBondContact N-O 2.98Å; V14-I64 CarbonylContact O-C 3.58Å; V14-I64 VanDerWaalsContact O-CA 3.31Å; V14-I64 WeakPolarHBondContact O-CA 3.35Å; V14-W65 PolarHBondContact O-N 3.02Å; V14-G86 VanDerWaalsContact CA-O 3.28Å; V14-G86 WeakPolarHBondContact CA-O 3.33Å; V14-L88 HydrophobicContact CG1-CD1 3.38Å; V14-L169 HydrophobicContact CG2-CD2 3.98Å; V14-I172 HydrophobicContact CG2-CD1 4.19Å
15V95.8Very high91.7Very high0 Ų041.3 Ų41.30%023%0.225CC..EExtended strand (participates in β ladder)trans-109.8140.2177.8-63.40000111I17 W65 Y81 A84 G86 A87 L88 L109V15-I17 HydrophobicContact CB-CG2 4.48Å; V15-I17 HydrophobicContact CG2-CG2 4.19Å; V15-W65 HydrophobicContact CG1-CB 4.21Å; V15-Y81 HydrophobicContact CG1-CD1 4.42Å; V15-Y81 HydrophobicContact CG2-CD1 4.08Å; V15-Y81 HydrophobicContact CG2-CE1 4.36Å; V15-A84 HydrophobicContact CG1-CB 3.87Å; V15-A84 HydrophobicContact CG2-CB 4.24Å; V15-G86 PolarHBondContact N-O 2.83Å; V15-A87 HydrophobicContact CG2-CB 3.68Å; V15-A87 CarbonylContact O-C 3.31Å; V15-A87 VanDerWaalsContact O-CA 3.31Å; V15-A87 WeakPolarHBondContact O-CA 3.41Å; V15-L88 PolarHBondContact O-N 2.86Å; V15-L109 HydrophobicContact CG2-CD1 4.3Å
16L96.4Very high93.5Very high0 Ų035.4 Ų35.40%019%0.193CC..EExtended strand (participates in β ladder)trans-98.5122.7168.7-49.8-178.3000108.5K24 L28 I64 W65 D66 T67 L88 F165L16-K24 HydrophobicContact CB-CB 4.14Å; L16-K24 HydrophobicContact CB-CD 4.17Å; L16-K24 HydrophobicContact CB-CG 4.43Å; L16-K24 HydrophobicContact CD1-CB 4.31Å; L16-K24 WeakPolarHBondContact CD1-O 3.44Å; L16-L28 HydrophobicContact CD1-CB 3.88Å; L16-I64 HydrophobicContact CD1-CG2 4.11Å; L16-I64 HydrophobicContact CD2-CG2 4.04Å; L16-I64 HydrophobicContact CG-CG2 3.86Å; L16-W65 PolarHBondContact N-O 3.08Å; L16-D66 HydrophobicContact CD1-CB 4.17Å; L16-T67 PolarHBondContact O-N 3.3Å; L16-T67 PolarHBondContact O-OG1 3.49Å; L16-L88 HydrophobicContact CD2-CB 3.69Å; L16-L88 HydrophobicContact CD2-CD1 3.97Å; L16-L88 HydrophobicContact CD2-CD2 3.86Å; L16-L88 HydrophobicContact CD2-CG 4.06Å; L16-F165 HydrophobicContact CD2-CE1 4.05Å; L16-F165 HydrophobicContact CD2-CZ 4.01Å
17I94.7Very high95Very high0 Ų030.7 Ų30.70%017%0.168CC..EExtended strand (participates in β ladder)trans-129.6160.5-179.163.9170.1000110.9V15 Y81 L88 L89 V90 W105 L109V15-I17 HydrophobicContact CB-CG2 4.48Å; V15-I17 HydrophobicContact CG2-CG2 4.19Å; I17-Y81 HydrophobicContact CG2-CE1 3.44Å; I17-Y81 VanDerWaalsContact CG2-CE1 3.44Å; I17-L88 PolarHBondContact N-O 3.4Å; I17-L89 HydrophobicContact CD1-CB 4.29Å; I17-L89 HydrophobicContact CD1-CD1 3.84Å; I17-L89 HydrophobicContact CG1-CB 4.11Å; I17-L89 HydrophobicContact CG1-CD1 3.73Å; I17-L89 HydrophobicContact CG1-CG 4.5Å; I17-V90 PolarHBondContact O-N 3.29Å; I17-W105 HydrophobicContact CB-CE3 4.19Å; I17-W105 HydrophobicContact CD1-CB 4.45Å; I17-L109 HydrophobicContact CD1-CB 3.96Å; I17-L109 HydrophobicContact CD1-CD1 4.26Å; I17-L109 HydrophobicContact CD1-CD2 3.86Å; I17-L109 HydrophobicContact CD1-CG 4.25Å
18G95.1Very high95.5Very high0 Ų023.3 Ų23.30%013%0.134CC..SBendtrans131.6170.5-175.300000112K24 G69 V90 W105G18-K24 PolarHBondContact O-NZ 2.83Å; G18-G69 WeakPolarHBondContact O-CA 3.49Å; G18-V90 WeakPolarHBondContact CA-O 3.19Å; G18-W105 VanDerWaalsContact C-CE2 3.45Å; G18-W105 WeakPolarHBondContact O-CZ2 3.28Å
19D94.2Very high95.7Very high18 Ų1819 Ų1910%0.09612%0.119CC..  trans-58.5160.7-174.3-82.68.5000113.7V22 K24 T98 N101 W105D19-V22 HydrophobicContact CB-CG1 3.83Å; D19-V22 VanDerWaalsContact O-CG2 3.25Å; D19-V22 WeakPolarHBondContact O-CG2 3.19Å; D19-K24 PolarHBondContact O-NZ 3.45Å; D19-T98 HydrophobicContact CB-CG2 3.98Å; D19-N101 PolarHBondContact OD2-ND2 2.92Å; D19-W105 PolarHBondContact OD1-NE1 3.44Å
20S92.9Very high95.9Very high39 Ų3917.5 Ų17.527%0.27311%0.107SC..THydrogen-bonded Turntrans-63.1139170.3-165.90000110.9V22 S42 G69S20-V22 VanDerWaalsContact C-N 3.34Å; S20-V22 PolarHBondContact O-N 3.05Å; S20-S42 PolarHBondContact OG-OG 3.41Å; S20-G69 PolarHBondContact N-O 2.94Å; S20-G69 VanDerWaalsContact N-O 3.08Å
21G93.2Very high95.9Very high54 Ų5416.3 Ų16.356%0.55710%0.103SC*.THydrogen-bonded Turntrans82-0.4176.400000116.1G23 K125G21-G23 PolarHBondContact O-N 3.46Å; G21-K125 WeakPolarHBondContact O-CE 3.31Å; G21-K125 PolarHBondContact O-NZ 3.38Å
22V96.4Very high95.9Very high0 Ų014.3 Ų14.30%09%0.093CC..SBendtrans-70.3-16.4175.3-56.50000113.3D19 S20 K24 V90 D92 T98 N124D19-V22 HydrophobicContact CB-CG1 3.83Å; D19-V22 VanDerWaalsContact O-CG2 3.25Å; D19-V22 WeakPolarHBondContact O-CG2 3.19Å; S20-V22 VanDerWaalsContact C-N 3.34Å; S20-V22 PolarHBondContact O-N 3.05Å; V22-K24 HydrophobicContact CG2-CD 4.28Å; V22-K24 HydrophobicContact CG2-CG 3.59Å; V22-V90 HydrophobicContact CB-CG1 4.27Å; V22-V90 HydrophobicContact CG2-CB 3.91Å; V22-V90 HydrophobicContact CG2-CG1 3.8Å; V22-D92 HydrophobicContact CB-CB 4.37Å; V22-D92 HydrophobicContact CG1-CB 4.24Å; V22-T98 HydrophobicContact CG1-CG2 3.76Å; V22-N124 PolarHBondContact O-ND2 2.93Å
23G96.3Very high95.7Very high13 Ų1320 Ų2013%0.13412%0.115CC..SBendtrans10321.6174.500000115.9G21 S25 N26 L27G21-G23 PolarHBondContact O-N 3.46Å; G23-S25 PolarHBondContact O-N 3.22Å; G23-N26 PolarHBondContact O-N 3.01Å; G23-L27 PolarHBondContact O-N 3.31Å
24K96.7Very high95.7Very high8 Ų823.7 Ų23.74%0.03514%0.136CC..Hα-helixtrans-53.8-50.2178.1-56.7-172.3-60.8-74.70113.5L16 G18 D19 V22 N26 L27 L28 D66 T67 V90L16-K24 HydrophobicContact CB-CB 4.14Å; L16-K24 HydrophobicContact CB-CD 4.17Å; L16-K24 HydrophobicContact CB-CG 4.43Å; L16-K24 HydrophobicContact CD1-CB 4.31Å; L16-K24 WeakPolarHBondContact CD1-O 3.44Å; G18-K24 PolarHBondContact O-NZ 2.83Å; D19-K24 PolarHBondContact O-NZ 3.45Å; V22-K24 HydrophobicContact CG2-CD 4.28Å; V22-K24 HydrophobicContact CG2-CG 3.59Å; K24-N26 VanDerWaalsContact C-N 3.29Å; K24-N26 PolarHBondContact O-N 2.91Å; K24-L27 WeakPolarHBondContact O-CB 3.32Å; K24-L27 PolarHBondContact O-N 3.29Å; K24-L27 VanDerWaalsContact O-N 3.12Å; K24-L28 PolarHBondContact O-N 3.04Å; K24-D66 WeakPolarHBondContact CB-OD1 3.26Å; K24-T67 WeakPolarHBondContact CE-O 3.41Å; K24-V90 HydrophobicContact CG-CB 4.06Å; K24-V90 HydrophobicContact CG-CG2 4.1Å
25S95.7Very high95.6Very high23 Ų2328.5 Ų28.516%0.16116%0.159CC..Hα-helixtrans-62.6-37.1178.5-35.70000112.3G23 L28 S29 T43 D66G23-S25 PolarHBondContact O-N 3.22Å; S25-L28 WeakPolarHBondContact O-CB 3.48Å; S25-L28 PolarHBondContact O-N 2.85Å; S25-S29 PolarHBondContact O-N 3.16Å; S25-S29 PolarHBondContact O-OG 3.25Å; S25-T43 PolarHBondContact OG-OG1 3.38Å; S25-D66 WeakPolarHBondContact CA-OD2 3.26Å; S25-D66 VanDerWaalsContact CB-OD2 3.27Å; S25-D66 WeakPolarHBondContact CB-OD2 3.32Å; S25-D66 PolarHBondContact OG-OD2 2.99Å
26N97.1Very high95.6Very high10 Ų1031.6 Ų31.65%0.05317%0.172CC..Hα-helixtrans-70.9-34.2175.7-91-52.2000112.1G23 K24 S29 R30 F36 N37 S40 A155G23-N26 PolarHBondContact O-N 3.01Å; K24-N26 VanDerWaalsContact C-N 3.29Å; K24-N26 PolarHBondContact O-N 2.91Å; N26-S29 WeakPolarHBondContact CA-OG 3.37Å; N26-S29 PolarHBondContact O-OG 3.11Å; N26-S29 VanDerWaalsContact O-OG 3.1Å; N26-R30 WeakPolarHBondContact O-CB 3.28Å; N26-R30 PolarHBondContact O-N 2.71Å; N26-F36 HydrophobicContact CB-CD2 3.96Å; N26-F36 HydrophobicContact CB-CE2 4.05Å; N26-F36 WeakPolarHBondContact OD1-CD2 3.35Å; N26-N37 PolarHBondContact ND2-O 3.39Å; N26-N37 PolarHBondContact OD1-N 3.26Å; N26-N37 PolarHBondContact OD1-O 3.32Å; N26-S40 PolarHBondContact ND2-OG 2.84Å; N26-S40 VanDerWaalsContact ND2-OG 3.09Å; N26-A155 HydrophobicContact CB-CB 3.81Å
27L97.6Very high95.4Very high2 Ų235.7 Ų35.71%0.0119%0.194CC..Hα-helixtrans-64.7-43.5169.9-73.8170.2000110.8G23 K24 R30 F31 V90 V122 N124 A155 V161G23-L27 PolarHBondContact O-N 3.31Å; K24-L27 WeakPolarHBondContact O-CB 3.32Å; K24-L27 PolarHBondContact O-N 3.29Å; K24-L27 VanDerWaalsContact O-N 3.12Å; L27-R30 PolarHBondContact O-N 2.93Å; L27-F31 WeakPolarHBondContact O-CB 3.45Å; L27-F31 PolarHBondContact O-N 3.3Å; L27-V90 HydrophobicContact CD1-CG1 3.79Å; L27-V90 HydrophobicContact CD1-CG2 4.08Å; L27-V122 HydrophobicContact CD1-CG1 4.23Å; L27-N124 HydrophobicContact CD1-CB 4.26Å; L27-A155 HydrophobicContact CD2-CB 4.04Å; L27-A155 HydrophobicContact CG-CB 4.29Å; L27-V161 HydrophobicContact CD2-CB 4.49Å; L27-V161 HydrophobicContact CD2-CG1 4.14Å; L27-V161 HydrophobicContact CD2-CG2 3.73Å
28L97Very high95.2Very high2 Ų242.6 Ų42.61%0.0123%0.23CC..Hα-helixtrans-60.4-50.2176.4-178.160.2000111.6L16 K24 S25 F31 T32 E47 A49 I64 D66L16-L28 HydrophobicContact CD1-CB 3.88Å; K24-L28 PolarHBondContact O-N 3.04Å; S25-L28 WeakPolarHBondContact O-CB 3.48Å; S25-L28 PolarHBondContact O-N 2.85Å; L28-F31 PolarHBondContact O-N 2.84Å; L28-T32 HydrophobicContact CD1-CG2 3.88Å; L28-T32 WeakPolarHBondContact O-CB 3.4Å; L28-T32 WeakPolarHBondContact O-CG2 3.4Å; L28-T32 PolarHBondContact O-N 2.89Å; L28-T32 PolarHBondContact O-OG1 3.34Å; L28-E47 HydrophobicContact CD2-CB 4.39Å; L28-A49 HydrophobicContact CD1-CB 3.99Å; L28-A49 HydrophobicContact CD2-CB 4.25Å; L28-A49 HydrophobicContact CG-CB 4.25Å; L28-I64 HydrophobicContact CD1-CB 3.64Å; L28-I64 HydrophobicContact CD1-CD1 4.15Å; L28-I64 HydrophobicContact CD1-CG2 3.5Å; L28-I64 VanDerWaalsContact CD1-CG2 3.5Å; L28-D66 HydrophobicContact CD2-CB 3.66Å
29S95.7Very high94.8Very high11 Ų1150.4 Ų50.48%0.07727%0.267CS..Hα-helixtrans-65.8-40179.465.80000111.8S25 N26 F31 T32 R33 N34 E35S25-S29 PolarHBondContact O-N 3.16Å; S25-S29 PolarHBondContact O-OG 3.25Å; N26-S29 WeakPolarHBondContact CA-OG 3.37Å; N26-S29 PolarHBondContact O-OG 3.11Å; N26-S29 VanDerWaalsContact O-OG 3.1Å; S29-F31 PolarHBondContact O-N 3.12Å; S29-T32 PolarHBondContact O-N 3.12Å; S29-R33 CarbonylContact O-C 3.59Å; S29-R33 WeakPolarHBondContact O-CA 3.47Å; S29-R33 PolarHBondContact O-N 3.34Å; S29-N34 PolarHBondContact O-N 3.48Å; S29-N34 VanDerWaalsContact O-N 3.15Å; S29-E35 CarbonylContact C-O 3.57Å; S29-E35 VanDerWaalsContact C-O 3.31Å; S29-E35 WeakPolarHBondContact CB-O 3.19Å; S29-E35 PolarHBondContact O-N 3.09Å; S29-E35 PolarHBondContact OG-O 3.22Å
30R97.4Very high94.3Very high41 Ų4152 Ų5216%0.15528%0.279CS..Hα-helixtrans-63.7-43.5177.9178.459.371.5-167.36.2110.8N26 L27 N34 E35 A155 L156 V161N26-R30 WeakPolarHBondContact O-CB 3.28Å; N26-R30 PolarHBondContact O-N 2.71Å; L27-R30 PolarHBondContact O-N 2.93Å; R30-N34 WeakPolarHBondContact CD-OD1 3.47Å; R30-N34 VanDerWaalsContact NH1-C 3.32Å; R30-N34 PolarHBondContact NH1-O 3.04Å; R30-N34 PolarHBondContact NH1-OD1 3.33Å; R30-N34 WeakPolarHBondContact O-CA 3.43Å; R30-N34 PolarHBondContact O-N 3.13Å; R30-N34 VanDerWaalsContact O-N 3.12Å; R30-E35 WeakPolarHBondContact CA-O 3.23Å; R30-E35 PolarHBondContact N-O 3.47Å; R30-E35 VanDerWaalsContact N-O 3.09Å; R30-A155 PolarHBondContact NE-O 3.36Å; R30-A155 PolarHBondContact NH2-O 3.12Å; R30-L156 PolarHBondContact NH2-O 3.19Å; R30-L156 VanDerWaalsContact NH2-O 3.09Å; R30-V161 HydrophobicContact CB-CG1 4.1Å; R30-V161 HydrophobicContact CG-CB 4.03Å; R30-V161 HydrophobicContact CG-CG1 3.81Å; R30-V161 HydrophobicContact CG-CG2 3.96Å
31F96.9Very high93.9Very high3 Ų359.1 Ų59.11%0.01331%0.305CS..Hα-helixtrans-69.7-45.6176.2-178.8-112.2000112L27 L28 S29 R51 I53 I64 V161 F165L27-F31 WeakPolarHBondContact O-CB 3.45Å; L27-F31 PolarHBondContact O-N 3.3Å; L28-F31 PolarHBondContact O-N 2.84Å; S29-F31 PolarHBondContact O-N 3.12Å; F31-R51 HydrophobicContact CD1-CB 4.43Å; F31-R51 HydrophobicContact CE1-CB 3.81Å; F31-R51 HydrophobicContact CE1-CG 4.13Å; F31-R51 HydrophobicContact CZ-CB 4.42Å; F31-R51 HydrophobicContact CZ-CG 4.31Å; F31-R51 VanDerWaalsContact O-CD 3.29Å; F31-R51 WeakPolarHBondContact O-CD 3.43Å; F31-R51 PolarHBondContact O-NH1 2.86Å; F31-I53 HydrophobicContact CZ-CG2 4.11Å; F31-I64 HydrophobicContact CD1-CD1 3.49Å; F31-I64 VanDerWaalsContact CD1-CD1 3.49Å; F31-I64 HydrophobicContact CE1-CD1 3.54Å; F31-V161 HydrophobicContact CB-CG1 4.08Å; F31-F165 HydrophobicContact CB-CD2 3.54Å; F31-F165 HydrophobicContact CB-CE2 3.48Å; F31-F165 VanDerWaalsContact CB-CE2 3.48Å; F31-F165 HydrophobicContact CB-CG 4.31Å; F31-F165 HydrophobicContact CB-CZ 4.21Å; F31-F165 HydrophobicContact CD1-CB 4.23Å; F31-F165 AromaticContact CD1-CD1 3.98Å; F31-F165 HydrophobicContact CD1-CD1 3.98Å; F31-F165 AromaticContact CD1-CD2 3.89Å; F31-F165 HydrophobicContact CD1-CD2 3.89Å; F31-F165 HydrophobicContact CD1-CE1 4.3Å; F31-F165 HydrophobicContact CD1-CE2 4.21Å; F31-F165 AromaticContact CD1-CG 3.77Å; F31-F165 HydrophobicContact CD1-CG 3.77Å; F31-F165 HydrophobicContact CD1-CZ 4.41Å; F31-F165 HydrophobicContact CD2-CB 3.63Å; F31-F165 AromaticContact CD2-CD2 3.49Å; F31-F165 HydrophobicContact CD2-CD2 3.49Å; F31-F165 VanDerWaalsContact CD2-CD2 3.49Å; F31-F165 HydrophobicContact CD2-CE2 4.34Å; F31-F165 AromaticContact CD2-CG 3.7Å; F31-F165 HydrophobicContact CD2-CG 3.7Å; F31-F165 HydrophobicContact CE1-CB 3.97Å; F31-F165 HydrophobicContact CE1-CD1 4.09Å; F31-F165 HydrophobicContact CE1-CD2 4.47Å; F31-F165 AromaticContact CE1-CG 3.93Å; F31-F165 HydrophobicContact CE1-CG 3.93Å; F31-F165 HydrophobicContact CE2-CB 3.34Å; F31-F165 HydrophobicContact CE2-CD2 4.15Å; F31-F165 AromaticContact CE2-CG 3.89Å; F31-F165 HydrophobicContact CE2-CG 3.89Å; F31-F165 HydrophobicContact CG-CB 4.08Å; F31-F165 HydrophobicContact CG-CD1 4.29Å; F31-F165 AromaticContact CG-CD2 3.34Å; F31-F165 HydrophobicContact CG-CD2 3.34Å; F31-F165 AromaticContact CG-CE2 3.77Å; F31-F165 HydrophobicContact CG-CE2 3.77Å; F31-F165 AromaticContact CG-CG 3.65Å; F31-F165 HydrophobicContact CG-CG 3.65Å; F31-F165 HydrophobicContact CG-CZ 4.4Å; F31-F165 HydrophobicContact CZ-CB 3.53Å; F31-F165 HydrophobicContact CZ-CD1 4.5Å; F31-F165 AromaticContact CZ-CG 4Å; F31-F165 HydrophobicContact CZ-CG 4Å
32T94.8Very high93.6Very high30 Ų3059.5 Ų59.518%0.18430%0.299CS..Hα-helixtrans-84.4-30.1-170560000114.2L28 S29 A49 R51 I64L28-T32 HydrophobicContact CD1-CG2 3.88Å; L28-T32 WeakPolarHBondContact O-CB 3.4Å; L28-T32 WeakPolarHBondContact O-CG2 3.4Å; L28-T32 PolarHBondContact O-N 2.89Å; L28-T32 PolarHBondContact O-OG1 3.34Å; S29-T32 PolarHBondContact O-N 3.12Å; T32-A49 HydrophobicContact CG2-CB 3.79Å; T32-R51 HydrophobicContact CG2-CB 4.34Å; T32-I64 HydrophobicContact CG2-CD1 4.4Å
33R93.9Very high92.8Very high127 Ų12760.1 Ų60.148%0.47930%0.303SS..Hα-helixtrans-130.9-2.2-172.7-60.3-173.1-61.2-836.1114.2S29 E35S29-R33 CarbonylContact O-C 3.59Å; S29-R33 WeakPolarHBondContact O-CA 3.47Å; S29-R33 PolarHBondContact O-N 3.34Å; R33-E35 HydrophobicContact CB-CB 4.28Å; R33-E35 HydrophobicContact CB-CG 3.9Å; R33-E35 IonicContact CZ-OE2 2.8Å; R33-E35 IonicContact NE-OE2 2.99Å; R33-E35 PolarHBondContact NE-OE2 2.93Å; R33-E35 IonicContact NH2-OE2 3.07Å; R33-E35 PolarHBondContact O-N 3.13Å
34N95Very high91.9Very high115 Ų11566 Ų6662%0.61533%0.33SS*.SBendtrans5538.3-170.1-163.424.6000113.2S29 R30S29-N34 PolarHBondContact O-N 3.48Å; S29-N34 VanDerWaalsContact O-N 3.15Å; R30-N34 WeakPolarHBondContact CD-OD1 3.47Å; R30-N34 VanDerWaalsContact NH1-C 3.32Å; R30-N34 PolarHBondContact NH1-O 3.04Å; R30-N34 PolarHBondContact NH1-OD1 3.33Å; R30-N34 WeakPolarHBondContact O-CA 3.43Å; R30-N34 PolarHBondContact O-N 3.13Å; R30-N34 VanDerWaalsContact O-N 3.12Å
35E95.6Very high90.9Very high102 Ų10266.7 Ų66.748%0.47734%0.339SS..  trans-114.4146.7-179.5-71.8172.5178.500111.4S29 R30 R33S29-E35 CarbonylContact C-O 3.57Å; S29-E35 VanDerWaalsContact C-O 3.31Å; S29-E35 WeakPolarHBondContact CB-O 3.19Å; S29-E35 PolarHBondContact O-N 3.09Å; S29-E35 PolarHBondContact OG-O 3.22Å; R30-E35 WeakPolarHBondContact CA-O 3.23Å; R30-E35 PolarHBondContact N-O 3.47Å; R30-E35 VanDerWaalsContact N-O 3.09Å; R33-E35 HydrophobicContact CB-CB 4.28Å; R33-E35 HydrophobicContact CB-CG 3.9Å; R33-E35 IonicContact CZ-OE2 2.8Å; R33-E35 IonicContact NE-OE2 2.99Å; R33-E35 PolarHBondContact NE-OE2 2.93Å; R33-E35 IonicContact NH2-OE2 3.07Å; R33-E35 PolarHBondContact O-N 3.13Å
36F95Very high90.3Very high65 Ų6567.2 Ų67.229%0.28534%0.341SS..  trans-134.6137.5171.8174.9-92000110N26 L38 A155 L156N26-F36 HydrophobicContact CB-CD2 3.96Å; N26-F36 HydrophobicContact CB-CE2 4.05Å; N26-F36 WeakPolarHBondContact OD1-CD2 3.35Å; F36-L38 HydrophobicContact CE1-CB 3.97Å; F36-L38 HydrophobicContact CE1-CD1 4.07Å; F36-L38 HydrophobicContact CZ-CD1 4.24Å; F36-A155 HydrophobicContact CD2-CB 4.02Å; F36-A155 WeakPolarHBondContact CD2-O 3.25Å; F36-A155 HydrophobicContact CE2-CB 4.17Å; F36-L156 HydrophobicContact CD1-CD1 3.73Å; F36-L156 HydrophobicContact CE1-CB 4.48Å; F36-L156 HydrophobicContact CE1-CD1 3.27Å; F36-L156 HydrophobicContact CE1-CG 4.47Å; F36-L156 HydrophobicContact CE2-CB 4.06Å; F36-L156 HydrophobicContact CE2-CD1 4.35Å; F36-L156 HydrophobicContact CG-CD1 4.43Å; F36-L156 HydrophobicContact CZ-CB 4.05Å; F36-L156 HydrophobicContact CZ-CD1 3.63Å; F36-L156 HydrophobicContact CZ-CG 4.44Å
37N93Very high89.9Confident86 Ų8671 Ų7146%0.4636%0.359SS..  trans-124.2111.5177-175.6-0.1000110.2N26 E39 S40N26-N37 PolarHBondContact ND2-O 3.39Å; N26-N37 PolarHBondContact OD1-N 3.26Å; N26-N37 PolarHBondContact OD1-O 3.32Å; N37-E39 VanDerWaalsContact C-N 3.26Å; N37-E39 PolarHBondContact O-N 2.81Å; N37-E39 PolarHBondContact OD1-N 2.89Å; N37-S40 WeakPolarHBondContact O-CB 3.32Å; N37-S40 PolarHBondContact O-N 2.94Å
38L89.6Confident89.5Confident145 Ų14575.8 Ų75.876%0.75938%0.379SS*.THydrogen-bonded Turntrans-64.4-32.9177.1-170.967.2000112F36 S40F36-L38 HydrophobicContact CE1-CB 3.97Å; F36-L38 HydrophobicContact CE1-CD1 4.07Å; F36-L38 HydrophobicContact CZ-CD1 4.24Å; L38-S40 VanDerWaalsContact C-N 3.29Å; L38-S40 PolarHBondContact O-N 3.42Å
39E86.5Confident89.4Confident165 Ų16576.4 Ų76.477%0.77139%0.385SS*.THydrogen-bonded Turntrans-94.223.7-179.5-58.5-173.9168.900112.2N37 K41N37-E39 VanDerWaalsContact C-N 3.26Å; N37-E39 PolarHBondContact O-N 2.81Å; N37-E39 PolarHBondContact OD1-N 2.89Å; E39-K41 PolarHBondContact O-N 2.69Å; E39-K41 VanDerWaalsContact O-N 3.08Å
40S84.7Confident89.4Confident51 Ų5179 Ų7936%0.35740%0.4SS..PPolyproline II helixtrans-55.9117.8178.664.50000110.5N26 N37 L38N26-S40 PolarHBondContact ND2-OG 2.84Å; N26-S40 VanDerWaalsContact ND2-OG 3.09Å; N37-S40 WeakPolarHBondContact O-CB 3.32Å; N37-S40 PolarHBondContact O-N 2.94Å; L38-S40 VanDerWaalsContact C-N 3.29Å; L38-S40 PolarHBondContact O-N 3.42Å
41K84.3Confident89.3Confident189 Ų18980.4 Ų80.482%0.82241%0.406SS*.PPolyproline II helixtrans-71.3162174.6-65.5-177.6-178.5176.50110.1E39 T43E39-K41 PolarHBondContact O-N 2.69Å; E39-K41 VanDerWaalsContact O-N 3.08Å; K41-T43 PolarHBondContact O-N 2.95Å
42S86.2Confident89.2Confident61 Ų6182.7 Ų82.743%0.42742%0.422SS..PPolyproline II helixtrans-59.8128.3172.1-67.30000110.3S20 I44S20-S42 PolarHBondContact OG-OG 3.41Å; S42-I44 PolarHBondContact O-N 3.33Å
43T79.3Confident89.2Confident13 Ų1381.8 Ų81.88%0.0842%0.416CS..PPolyproline II helixtrans-54.6128.3174.2-40.50000110S25 K41 E47 D66 A68S25-T43 PolarHBondContact OG-OG1 3.38Å; K41-T43 PolarHBondContact O-N 2.95Å; T43-E47 HydrophobicContact CG2-CB 4.49Å; T43-E47 HydrophobicContact CG2-CG 3.96Å; T43-D66 PolarHBondContact OG1-OD2 3.13Å; T43-D66 VanDerWaalsContact OG1-OD2 3.06Å; T43-A68 VanDerWaalsContact O-CB 3.28Å; T43-A68 WeakPolarHBondContact O-CB 3.33Å
44I77.8Confident89.2Confident138 Ų13881.6 Ų81.671%0.70842%0.421SS*.PPolyproline II helixtrans-99.7116.8173.1-60.2175.3000106.9S42 V46S42-I44 PolarHBondContact O-N 3.33Å; I44-V46 PolarHBondContact O-N 3.48Å
45G76.2Confident89.1Confident21 Ų2176.6 Ų76.622%0.21639%0.394CS..SBendtrans74.7-118.4-174.900000111.6A68G45-A68 WeakPolarHBondContact O-CB 3.5Å; G45-A68 PolarHBondContact O-N 2.83Å
46V83.8Confident89Confident34 Ų3477.6 Ų77.621%0.20640%0.403CS..EExtended strand (participates in β ladder)trans-143.2135.6-175.5177.20000110.8I44 W65 D66 T67 Y80I44-V46 PolarHBondContact O-N 3.48Å; V46-W65 HydrophobicContact CG1-CB 4.23Å; V46-W65 HydrophobicContact CG1-CE3 3.7Å; V46-D66 CarbonylContact C-O 3.47Å; V46-D66 VanDerWaalsContact CA-O 3.24Å; V46-D66 WeakPolarHBondContact CA-O 3.46Å; V46-D66 WeakPolarHBondContact CG1-O 3.4Å; V46-T67 HydrophobicContact CG2-CG2 4.25Å; V46-Y80 HydrophobicContact CB-CE1 3.98Å; V46-Y80 HydrophobicContact CB-CE2 4.14Å; V46-Y80 HydrophobicContact CG1-CD1 4.13Å; V46-Y80 HydrophobicContact CG1-CE1 3.96Å; V46-Y80 HydrophobicContact CG2-CD1 4.18Å; V46-Y80 HydrophobicContact CG2-CD2 3.58Å; V46-Y80 HydrophobicContact CG2-CE1 3.86Å; V46-Y80 HydrophobicContact CG2-CE2 3.19Å; V46-Y80 HydrophobicContact CG2-CG 4.05Å
47E87.7Confident88.8Confident91 Ų9177.7 Ų77.743%0.42542%0.422SS..EExtended strand (participates in β ladder)trans-99.4146.2168.6-74.2-178-163.600110.5L28 T43 W65 D66L28-E47 HydrophobicContact CD2-CB 4.39Å; T43-E47 HydrophobicContact CG2-CB 4.49Å; T43-E47 HydrophobicContact CG2-CG 3.96Å; E47-W65 CarbonylContact O-C 3.59Å; E47-W65 WeakPolarHBondContact O-CA 3.21Å; E47-D66 HydrophobicContact CB-CB 4.16Å; E47-D66 PolarHBondContact N-O 2.81Å; E47-D66 PolarHBondContact O-N 3.18Å
48F90.2Very high88.9Confident101 Ų10177.2 Ų77.244%0.44342%0.416SS..EExtended strand (participates in β ladder)trans-127.2132.3-177.8172.3-100.7000110T50 Q63 W65F48-T50 HydrophobicContact CE1-CG2 3.68Å; F48-T50 HydrophobicContact CE2-CG2 4.2Å; F48-T50 HydrophobicContact CZ-CG2 3.36Å; F48-Q63 HydrophobicContact CE2-CB 3.87Å; F48-Q63 HydrophobicContact CE2-CG 3.94Å; F48-Q63 HydrophobicContact CZ-CB 4.42Å; F48-Q63 HydrophobicContact CZ-CG 4Å; F48-W65 HydrophobicContact CB-CE3 4.43Å; F48-W65 AromaticContact CD2-CD2 3.82Å; F48-W65 HydrophobicContact CD2-CD2 3.82Å; F48-W65 AromaticContact CD2-CE2 3.58Å; F48-W65 HydrophobicContact CD2-CE3 4.13Å; F48-W65 HydrophobicContact CD2-CG 4.35Å; F48-W65 HydrophobicContact CD2-CH2 4.13Å; F48-W65 AromaticContact CD2-CZ2 3.78Å; F48-W65 HydrophobicContact CD2-CZ2 3.78Å; F48-W65 HydrophobicContact CD2-CZ3 4.29Å; F48-W65 AromaticContact CD2-NE1 3.91Å; F48-W65 HydrophobicContact CE2-CD2 4.49Å; F48-W65 AromaticContact CE2-CE2 3.82Å; F48-W65 AromaticContact CE2-CZ2 3.86Å; F48-W65 HydrophobicContact CE2-CZ2 3.86Å; F48-W65 AromaticContact CE2-NE1 3.88Å
49A94.7Very high89.2Confident15 Ų1571.7 Ų71.712%0.12439%0.389CS..EExtended strand (participates in β ladder)trans-144.4155.2170.200000111.3L28 T32 I64L28-A49 HydrophobicContact CD1-CB 3.99Å; L28-A49 HydrophobicContact CD2-CB 4.25Å; L28-A49 HydrophobicContact CG-CB 4.25Å; T32-A49 HydrophobicContact CG2-CB 3.79Å; A49-I64 PolarHBondContact N-O 3.42Å; A49-I64 PolarHBondContact O-N 2.85Å
50T95Very high89.7Confident65 Ų6563.9 Ų63.940%0.39935%0.352SS..EExtended strand (participates in β ladder)trans-120.7143177.661.40000111.5F48 A62 Q63F48-T50 HydrophobicContact CE1-CG2 3.68Å; F48-T50 HydrophobicContact CE2-CG2 4.2Å; F48-T50 HydrophobicContact CZ-CG2 3.36Å; T50-A62 WeakPolarHBondContact CA-O 3.44Å; T50-Q63 HydrophobicContact CG2-CG 4.07Å
51R94.7Very high90.2Very high71 Ų7163 Ų6327%0.26834%0.342SS..EExtended strand (participates in β ladder)trans-144134.5168.7-173.6168.4176.9-148.8-11.2110.3F31 T32 A62 E162F31-R51 HydrophobicContact CD1-CB 4.43Å; F31-R51 HydrophobicContact CE1-CB 3.81Å; F31-R51 HydrophobicContact CE1-CG 4.13Å; F31-R51 HydrophobicContact CZ-CB 4.42Å; F31-R51 HydrophobicContact CZ-CG 4.31Å; F31-R51 VanDerWaalsContact O-CD 3.29Å; F31-R51 WeakPolarHBondContact O-CD 3.43Å; F31-R51 PolarHBondContact O-NH1 2.86Å; T32-R51 HydrophobicContact CG2-CB 4.34Å; R51-A62 PolarHBondContact N-O 3.37Å; R51-A62 WeakPolarHBondContact O-CB 3.46Å; R51-A62 PolarHBondContact O-N 3.44Å; R51-E162 IonicContact CZ-OE1 3.39Å; R51-E162 IonicContact CZ-OE2 3.4Å; R51-E162 IonicContact NH1-OE1 2.67Å; R51-E162 IonicContact NH1-OE2 2.69Å; R51-E162 PolarHBondContact NH1-OE2 3.07Å; R51-E162 IonicContact NH2-OE1 3.19Å; R51-E162 PolarHBondContact NH2-OE1 2.8Å; R51-E162 IonicContact NH2-OE2 3.57Å; R51-E162 PolarHBondContact NH2-OE2 3.25Å
52S94.9Very high90.8Very high52 Ų5254 Ų5436%0.36430%0.303SS..EExtended strand (participates in β ladder)trans-91.4136173.4-59.30000110.2I60S52-I60 CarbonylContact C-O 3.55Å; S52-I60 VanDerWaalsContact CA-O 3.27Å; S52-I60 WeakPolarHBondContact CA-O 3.27Å
53I94.5Very high91.3Very high11 Ų1153.5 Ų53.56%0.05629%0.293CS..EExtended strand (participates in β ladder)trans-128.8160173.166.5161.7000110.2F31 V55 I60 K166 L169F31-I53 HydrophobicContact CZ-CG2 4.11Å; I53-V55 HydrophobicContact CD1-CG2 3.74Å; I53-V55 HydrophobicContact CG1-CG2 4.26Å; I53-I60 HydrophobicContact CG1-CB 4.14Å; I53-I60 PolarHBondContact N-O 2.92Å; I53-I60 PolarHBondContact O-N 3.2Å; I53-K166 HydrophobicContact CD1-CG 4.21Å; I53-L169 HydrophobicContact CD1-CB 3.74Å; I53-L169 HydrophobicContact CD1-CD1 3.42Å; I53-L169 VanDerWaalsContact CD1-CD1 3.42Å; I53-L169 HydrophobicContact CD1-CG 4.22Å; I53-L169 HydrophobicContact CG1-CD1 3.97Å
54Q94.6Very high92.1Very high122 Ų12252.9 Ų52.957%0.5729%0.29SS*.EExtended strand (participates in β ladder)trans-100.3128.3173-66-63.9-30.200109.7K58 T59Q54-K58 WeakPolarHBondContact CA-O 3.35Å; Q54-K58 PolarHBondContact OE1-O 3.21Å; Q54-T59 PolarHBondContact NE2-OG1 2.86Å
55V93.4Very high92.9Very high11 Ų1149.1 Ų49.17%0.06727%0.267CS..EExtended strand (participates in β ladder)trans-134.9122.3172.1177.70000107.5I53 G57 K58 I60 T170 Y173I53-V55 HydrophobicContact CD1-CG2 3.74Å; I53-V55 HydrophobicContact CG1-CG2 4.26Å; V55-G57 PolarHBondContact O-N 2.79Å; V55-G57 VanDerWaalsContact O-N 3.12Å; V55-K58 PolarHBondContact N-O 3.48Å; V55-K58 WeakPolarHBondContact O-CA 3.29Å; V55-K58 WeakPolarHBondContact O-CB 3.09Å; V55-K58 PolarHBondContact O-N 2.82Å; V55-I60 HydrophobicContact CB-CD1 3.6Å; V55-I60 HydrophobicContact CG1-CD1 4.34Å; V55-I60 HydrophobicContact CG2-CD1 3.57Å; V55-T170 HydrophobicContact CG1-CG2 3.94Å; V55-Y173 HydrophobicContact CG1-CD1 3.62Å; V55-Y173 HydrophobicContact CG1-CE1 4.15Å; V55-Y173 HydrophobicContact CG1-CG 4.16Å
56D92.2Very high93.7Very high123 Ų12348.1 Ų48.166%0.65826%0.256SS*.THydrogen-bonded Turntrans50.238.2-179.9-58.8-15.8000114.2K58 Y173D56-K58 PolarHBondContact O-N 3.34Å; D56-Y173 HydrophobicContact CB-CE1 3.92Å
57G92.1Very high93.8Very high67 Ų6746.5 Ų46.569%0.69125%0.246SC*.THydrogen-bonded Turntrans73.97.7-178.100000114.7V55V55-G57 PolarHBondContact O-N 2.79Å; V55-G57 VanDerWaalsContact O-N 3.12Å
58K94.3Very high93.5Very high75 Ų7542.2 Ų42.233%0.32623%0.227SC..EExtended strand (participates in β ladder)trans-103.1136.5175.3-61.4-61.2-172.4179.80111.2D9 Y10 Q54 V55 D56 I60 Y173D9-K58 HydrophobicContact CB-CB 4.18Å; D9-K58 HydrophobicContact CB-CD 3.95Å; D9-K58 VanDerWaalsContact CG-CD 3.42Å; D9-K58 VanDerWaalsContact OD1-CD 3.26Å; D9-K58 WeakPolarHBondContact OD1-CD 3.36Å; D9-K58 IonicContact OD1-NZ 2.89Å; D9-K58 PolarHBondContact OD1-NZ 3.32Å; D9-K58 WeakPolarHBondContact OD2-CA 3.21Å; Y10-K58 HydrophobicContact CD2-CB 4.24Å; Y10-K58 HydrophobicContact CE2-CB 4.11Å; Y10-K58 HydrophobicContact CE2-CD 4.37Å; Y10-K58 HydrophobicContact CE2-CG 4.11Å; Q54-K58 WeakPolarHBondContact CA-O 3.35Å; Q54-K58 PolarHBondContact OE1-O 3.21Å; V55-K58 PolarHBondContact N-O 3.48Å; V55-K58 WeakPolarHBondContact O-CA 3.29Å; V55-K58 WeakPolarHBondContact O-CB 3.09Å; V55-K58 PolarHBondContact O-N 2.82Å; D56-K58 PolarHBondContact O-N 3.34Å; K58-I60 PolarHBondContact O-N 2.91Å; K58-Y173 HydrophobicContact CB-CE2 4.13Å; K58-Y173 HydrophobicContact CG-CE2 3.99Å
59T95.8Very high92.8Very high30 Ų3037.7 Ų37.718%0.18421%0.209CC..EExtended strand (participates in β ladder)trans-86.4111.3176.8-52.80000109.2D9 Y10 Q54D9-T59 PolarHBondContact N-O 3.48Å; D9-T59 PolarHBondContact OD2-N 3.34Å; Y10-T59 PolarHBondContact N-O 3.44Å; Q54-T59 PolarHBondContact NE2-OG1 2.86Å
60I96.4Very high91.7Very high0 Ų038.6 Ų38.60%021%0.21CC..EExtended strand (participates in β ladder)trans-101.9116.9176.4-59.5171.4000108.4Y10 F12 S52 I53 V55 K58 L169 Y173Y10-I60 HydrophobicContact CD2-CG1 4.48Å; F12-I60 HydrophobicContact CB-CG2 4.46Å; F12-I60 HydrophobicContact CD2-CD1 4.49Å; F12-I60 HydrophobicContact CD2-CG2 3.32Å; F12-I60 HydrophobicContact CE2-CD1 3.89Å; F12-I60 HydrophobicContact CE2-CG1 4.2Å; F12-I60 HydrophobicContact CE2-CG2 3.67Å; F12-I60 HydrophobicContact CG-CG2 4.04Å; S52-I60 CarbonylContact C-O 3.55Å; S52-I60 VanDerWaalsContact CA-O 3.27Å; S52-I60 WeakPolarHBondContact CA-O 3.27Å; I53-I60 HydrophobicContact CG1-CB 4.14Å; I53-I60 PolarHBondContact N-O 2.92Å; I53-I60 PolarHBondContact O-N 3.2Å; V55-I60 HydrophobicContact CB-CD1 3.6Å; V55-I60 HydrophobicContact CG1-CD1 4.34Å; V55-I60 HydrophobicContact CG2-CD1 3.57Å; K58-I60 PolarHBondContact O-N 2.91Å; I60-L169 HydrophobicContact CG2-CD2 4.26Å; I60-Y173 HydrophobicContact CD1-CD2 4.2Å; I60-Y173 HydrophobicContact CD1-CG 4.07Å
61K96.7Very high90.2Very high33 Ų3340.6 Ų40.614%0.14322%0.215CC..EExtended strand (participates in β ladder)trans-87.9107.3169.8-168.7165.7-172.4163.60108.8D6 Y8 Y10 L11 F12D6-K61 IonicContact OD1-NZ 3.69Å; D6-K61 PolarHBondContact OD1-NZ 3.46Å; Y8-K61 HydrophobicContact CD1-CB 4.06Å; Y8-K61 HydrophobicContact CD1-CD 3.54Å; Y8-K61 HydrophobicContact CD1-CG 4.45Å; Y8-K61 HydrophobicContact CD2-CB 4.37Å; Y8-K61 HydrophobicContact CE1-CD 3.84Å; Y8-K61 HydrophobicContact CG-CB 3.83Å; Y8-K61 HydrophobicContact CG-CD 4.21Å; Y10-K61 PolarHBondContact O-N 2.95Å; L11-K61 WeakPolarHBondContact CA-O 3.41Å; L11-K61 HydrophobicContact CD1-CB 3.91Å; L11-K61 HydrophobicContact CD1-CD 4.22Å; L11-K61 HydrophobicContact CD1-CG 3.96Å; F12-K61 PolarHBondContact N-O 3.1Å
62A96.6Very high88.9Confident0 Ų045.8 Ų45.80%024%0.235CC..EExtended strand (participates in β ladder)trans-83.5126.3174.700000110F12 T50 R51 I64 L169F12-A62 CarbonylContact O-C 3.59Å; F12-A62 WeakPolarHBondContact O-CA 3.18Å; T50-A62 WeakPolarHBondContact CA-O 3.44Å; R51-A62 PolarHBondContact N-O 3.37Å; R51-A62 WeakPolarHBondContact O-CB 3.46Å; R51-A62 PolarHBondContact O-N 3.44Å; A62-I64 HydrophobicContact CB-CD1 4.39Å; A62-I64 HydrophobicContact CB-CG1 4.2Å; A62-L169 HydrophobicContact CB-CD1 3.74Å; A62-L169 HydrophobicContact CB-CD2 3.77Å; A62-L169 HydrophobicContact CB-CG 4.42Å
63Q96.4Very high87.9Confident50 Ų5046.3 Ų46.323%0.23423%0.229CC..EExtended strand (participates in β ladder)trans-101.8105.1168.8-77.4-170.3-12.500108.7L11 F12 K13 V14 F48 T50L11-Q63 HydrophobicContact CD1-CG 3.77Å; L11-Q63 HydrophobicContact CG-CG 4.44Å; F12-Q63 PolarHBondContact O-N 3.28Å; K13-Q63 WeakPolarHBondContact CA-O 3.46Å; V14-Q63 PolarHBondContact N-O 2.98Å; F48-Q63 HydrophobicContact CE2-CB 3.87Å; F48-Q63 HydrophobicContact CE2-CG 3.94Å; F48-Q63 HydrophobicContact CZ-CB 4.42Å; F48-Q63 HydrophobicContact CZ-CG 4Å; T50-Q63 HydrophobicContact CG2-CG 4.07Å
64I96.1Very high86.6Confident0 Ų047.4 Ų47.40%023%0.233CC..EExtended strand (participates in β ladder)trans-106.7125.3-172.6-51.9161.8000109.4V14 L16 L28 F31 T32 A49 A62 F165V14-I64 CarbonylContact O-C 3.58Å; V14-I64 VanDerWaalsContact O-CA 3.31Å; V14-I64 WeakPolarHBondContact O-CA 3.35Å; L16-I64 HydrophobicContact CD1-CG2 4.11Å; L16-I64 HydrophobicContact CD2-CG2 4.04Å; L16-I64 HydrophobicContact CG-CG2 3.86Å; L28-I64 HydrophobicContact CD1-CB 3.64Å; L28-I64 HydrophobicContact CD1-CD1 4.15Å; L28-I64 HydrophobicContact CD1-CG2 3.5Å; L28-I64 VanDerWaalsContact CD1-CG2 3.5Å; F31-I64 HydrophobicContact CD1-CD1 3.49Å; F31-I64 VanDerWaalsContact CD1-CD1 3.49Å; F31-I64 HydrophobicContact CE1-CD1 3.54Å; T32-I64 HydrophobicContact CG2-CD1 4.4Å; A49-I64 PolarHBondContact N-O 3.42Å; A49-I64 PolarHBondContact O-N 2.85Å; A62-I64 HydrophobicContact CB-CD1 4.39Å; A62-I64 HydrophobicContact CB-CG1 4.2Å; I64-F165 HydrophobicContact CD1-CD1 3.84Å; I64-F165 HydrophobicContact CD1-CE1 3.61Å; I64-F165 HydrophobicContact CD1-CZ 4.4Å; I64-F165 HydrophobicContact CG1-CE1 4.22Å; I64-F165 HydrophobicContact CG2-CE1 4.02Å
65W94.2Very high85.3Confident59 Ų5945.7 Ų45.722%0.22324%0.239CC..EExtended strand (participates in β ladder)trans-110.9110.3-178.2-60.977.3000109.2V14 V15 L16 V46 E47 F48 Y80V14-W65 PolarHBondContact O-N 3.02Å; V15-W65 HydrophobicContact CG1-CB 4.21Å; L16-W65 PolarHBondContact N-O 3.08Å; V46-W65 HydrophobicContact CG1-CB 4.23Å; V46-W65 HydrophobicContact CG1-CE3 3.7Å; E47-W65 CarbonylContact O-C 3.59Å; E47-W65 WeakPolarHBondContact O-CA 3.21Å; F48-W65 HydrophobicContact CB-CE3 4.43Å; F48-W65 AromaticContact CD2-CD2 3.82Å; F48-W65 HydrophobicContact CD2-CD2 3.82Å; F48-W65 AromaticContact CD2-CE2 3.58Å; F48-W65 HydrophobicContact CD2-CE3 4.13Å; F48-W65 HydrophobicContact CD2-CG 4.35Å; F48-W65 HydrophobicContact CD2-CH2 4.13Å; F48-W65 AromaticContact CD2-CZ2 3.78Å; F48-W65 HydrophobicContact CD2-CZ2 3.78Å; F48-W65 HydrophobicContact CD2-CZ3 4.29Å; F48-W65 AromaticContact CD2-NE1 3.91Å; F48-W65 HydrophobicContact CE2-CD2 4.49Å; F48-W65 AromaticContact CE2-CE2 3.82Å; F48-W65 AromaticContact CE2-CZ2 3.86Å; F48-W65 HydrophobicContact CE2-CZ2 3.86Å; F48-W65 AromaticContact CE2-NE1 3.88Å; W65-Y80 HydrophobicContact CD2-CD1 4.31Å; W65-Y80 AromaticContact CE3-CD1 3.59Å; W65-Y80 HydrophobicContact CE3-CD1 3.59Å; W65-Y80 AromaticContact CE3-CE1 3.78Å; W65-Y80 HydrophobicContact CE3-CE1 3.78Å; W65-Y80 AromaticContact CZ3-CD1 3.83Å; W65-Y80 HydrophobicContact CZ3-CD1 3.83Å; W65-Y80 AromaticContact CZ3-CE1 3.66Å; W65-Y80 HydrophobicContact CZ3-CE1 3.66Å
66D92.7Very high84.3Confident0 Ų049 Ų490%026%0.256CS..EExtended strand (participates in β ladder)trans-86.5116.3173175.642000110.3L16 K24 S25 L28 T43 V46 E47L16-D66 HydrophobicContact CD1-CB 4.17Å; K24-D66 WeakPolarHBondContact CB-OD1 3.26Å; S25-D66 WeakPolarHBondContact CA-OD2 3.26Å; S25-D66 VanDerWaalsContact CB-OD2 3.27Å; S25-D66 WeakPolarHBondContact CB-OD2 3.32Å; S25-D66 PolarHBondContact OG-OD2 2.99Å; L28-D66 HydrophobicContact CD2-CB 3.66Å; T43-D66 PolarHBondContact OG1-OD2 3.13Å; T43-D66 VanDerWaalsContact OG1-OD2 3.06Å; V46-D66 CarbonylContact C-O 3.47Å; V46-D66 VanDerWaalsContact CA-O 3.24Å; V46-D66 WeakPolarHBondContact CA-O 3.46Å; V46-D66 WeakPolarHBondContact CG1-O 3.4Å; E47-D66 HydrophobicContact CB-CB 4.16Å; E47-D66 PolarHBondContact N-O 2.81Å; E47-D66 PolarHBondContact O-N 3.18Å
67T87.2Confident83.4Confident0 Ų043.3 Ų43.30%023%0.226CC..EExtended strand (participates in β ladder)trans-96.4146.2-176.765.50000112.5L16 K24 V46 G69L16-T67 PolarHBondContact O-N 3.3Å; L16-T67 PolarHBondContact O-OG1 3.49Å; K24-T67 WeakPolarHBondContact CE-O 3.41Å; V46-T67 HydrophobicContact CG2-CG2 4.25Å; T67-G69 PolarHBondContact O-N 2.89Å
68A81.5Confident82.7Confident1 Ų141.8 Ų41.81%0.00820%0.204CC..PPolyproline II helixtrans-58.9124.1169.600000110.6T43 G45 Q70 Y73T43-A68 VanDerWaalsContact O-CB 3.28Å; T43-A68 WeakPolarHBondContact O-CB 3.33Å; G45-A68 WeakPolarHBondContact O-CB 3.5Å; G45-A68 PolarHBondContact O-N 2.83Å; A68-Q70 PolarHBondContact O-N 2.88Å; A68-Y73 HydrophobicContact CB-CD2 3.79Å; A68-Y73 HydrophobicContact CB-CG 4.18Å
69G73.9Confident82.2Confident7 Ų741.5 Ų41.57%0.07222%0.216CC..  trans-84.29.6178.400000114.5G18 S20 T67G18-G69 WeakPolarHBondContact O-CA 3.49Å; S20-G69 PolarHBondContact N-O 2.94Å; S20-G69 VanDerWaalsContact N-O 3.08Å; T67-G69 PolarHBondContact O-N 2.89Å
70Q72.5Confident81.7Confident33 Ų3343 Ų4315%0.15422%0.219CC..SBendtrans-89.3138.8178.5-73.5-177.964.800110.4A68 R72 Y73A68-Q70 PolarHBondContact O-N 2.88Å; Q70-R72 PolarHBondContact O-N 3.24Å; Q70-Y73 HydrophobicContact CB-CD2 4.03Å; Q70-Y73 PolarHBondContact O-N 3.45Å
71E63.9Low81.4Confident108 Ų10843 Ų4351%0.50522%0.219SC..G310 helixtrans-56.7-34.4178.967-59.8137.900114.3Y73 R74E71-Y73 PolarHBondContact O-N 3.49Å; E71-Y73 VanDerWaalsContact O-N 3.14Å; E71-R74 VanDerWaalsContact CA-NE 3.29Å; E71-R74 VanDerWaalsContact CB-NE 3.31Å; E71-R74 WeakPolarHBondContact O-CB 3.22Å; E71-R74 WeakPolarHBondContact O-CD 3.25Å; E71-R74 WeakPolarHBondContact O-CG 3.41Å; E71-R74 PolarHBondContact O-N 2.99Å
72R67.8Low81Confident180 Ų18051.4 Ų51.468%0.67925%0.249SC*.G310 helixtrans-58.6-23.7176-86.3-177-67.7164.13114.2Q70Q70-R72 PolarHBondContact O-N 3.24Å
73Y72.5Confident80.7Confident63 Ų6354 Ų5425%0.24728%0.276CS..G310 helixtrans-103.84.9-178.1-59.8-65.2000113.8A68 Q70 E71 A75 I76 T77A68-Y73 HydrophobicContact CB-CD2 3.79Å; A68-Y73 HydrophobicContact CB-CG 4.18Å; Q70-Y73 HydrophobicContact CB-CD2 4.03Å; Q70-Y73 PolarHBondContact O-N 3.45Å; E71-Y73 PolarHBondContact O-N 3.49Å; E71-Y73 VanDerWaalsContact O-N 3.14Å; Y73-A75 VanDerWaalsContact C-N 3.29Å; Y73-A75 PolarHBondContact O-N 3.13Å; Y73-I76 HydrophobicContact CD1-CD1 3.98Å; Y73-I76 WeakPolarHBondContact O-CA 3.4Å; Y73-I76 WeakPolarHBondContact O-CB 3.37Å; Y73-I76 PolarHBondContact O-N 3.48Å; Y73-T77 PolarHBondContact O-N 2.92Å
74R67.4Low80.7Confident33 Ų3351.6 Ų51.613%0.12527%0.265CS..Hα-helixtrans-56.1-35.7-178.3-76.4168.7-171.5-90.7-4.7114.8E71 I76 T77 R104 E108E71-R74 VanDerWaalsContact CA-NE 3.29Å; E71-R74 VanDerWaalsContact CB-NE 3.31Å; E71-R74 WeakPolarHBondContact O-CB 3.22Å; E71-R74 WeakPolarHBondContact O-CD 3.25Å; E71-R74 WeakPolarHBondContact O-CG 3.41Å; E71-R74 PolarHBondContact O-N 2.99Å; R74-I76 PolarHBondContact O-N 3.16Å; R74-T77 VanDerWaalsContact CA-OG1 3.31Å; R74-T77 WeakPolarHBondContact CA-OG1 3.31Å; R74-T77 PolarHBondContact O-N 2.85Å; R74-T77 PolarHBondContact O-OG1 2.91Å; R74-R104 VanDerWaalsContact CZ-NE 3.33Å; R74-R104 VanDerWaalsContact NE-NH2 3.19Å; R74-R104 VanDerWaalsContact NH2-NH1 3.13Å; R74-E108 IonicContact NH1-OE2 2.69Å; R74-E108 PolarHBondContact NH1-OE2 2.95Å
75A68.1Low80.7Confident86 Ų8654.1 Ų54.171%0.71128%0.28SS*.Hα-helixtrans-60.9-33.1176.800000111.4Y73 S78Y73-A75 VanDerWaalsContact C-N 3.29Å; Y73-A75 PolarHBondContact O-N 3.13Å; A75-S78 PolarHBondContact O-OG 2.76Å
76I71.7Confident80.8Confident82 Ų8251.3 Ų51.342%0.42127%0.27SS..Hα-helixtrans-80-34.6-179.4-40.4-176.5000110.7Y73 R74 S78 A79 Y80Y73-I76 HydrophobicContact CD1-CD1 3.98Å; Y73-I76 WeakPolarHBondContact O-CA 3.4Å; Y73-I76 WeakPolarHBondContact O-CB 3.37Å; Y73-I76 PolarHBondContact O-N 3.48Å; R74-I76 PolarHBondContact O-N 3.16Å; I76-S78 VanDerWaalsContact C-N 3.31Å; I76-S78 PolarHBondContact O-N 2.78Å; I76-A79 PolarHBondContact O-N 2.84Å; I76-Y80 HydrophobicContact CG2-CE2 3.73Å; I76-Y80 WeakPolarHBondContact O-CD2 3.37Å; I76-Y80 WeakPolarHBondContact O-CE2 3.36Å
77T73.4Confident81Confident3 Ų351.3 Ų51.32%0.01827%0.27CS..Hα-helixtrans-60.4-38.2-178.352.60000112.7Y73 R74 A79 Y80 E108Y73-T77 PolarHBondContact O-N 2.92Å; R74-T77 VanDerWaalsContact CA-OG1 3.31Å; R74-T77 WeakPolarHBondContact CA-OG1 3.31Å; R74-T77 PolarHBondContact O-N 2.85Å; R74-T77 PolarHBondContact O-OG1 2.91Å; T77-A79 VanDerWaalsContact C-N 3.28Å; T77-A79 PolarHBondContact O-N 2.99Å; T77-Y80 PolarHBondContact O-N 3.11Å; T77-E108 PolarHBondContact OG1-OE1 2.72Å; T77-E108 VanDerWaalsContact OG1-OE1 3.04Å
78S78Confident81.6Confident34 Ų3451.3 Ų51.324%0.23827%0.27CS..Hα-helixtrans-54.7-39.1179.667.60000113.9A75 I76 Y80 Y81A75-S78 PolarHBondContact O-OG 2.76Å; I76-S78 VanDerWaalsContact C-N 3.31Å; I76-S78 PolarHBondContact O-N 2.78Å; S78-Y80 PolarHBondContact O-N 3.02Å; S78-Y81 PolarHBondContact O-N 3.37Å
79A83.7Confident82.3Confident69 Ų6951.3 Ų51.357%0.5727%0.269SS*.Hα-helixtrans-65.7-2918000000112.4I76 T77 Y81I76-A79 PolarHBondContact O-N 2.84Å; T77-A79 VanDerWaalsContact C-N 3.28Å; T77-A79 PolarHBondContact O-N 2.99Å; A79-Y81 VanDerWaalsContact C-N 3.33Å
80Y85.6Confident83.5Confident63 Ų6351 Ų5125%0.24727%0.266CS..Hα-helixtrans-77.7-18.9179.8-65.7-81.4000113.1K13 V46 W65 I76 T77 S78 R82K13-Y80 WeakPolarHBondContact CE-O 3.19Å; K13-Y80 PolarHBondContact NZ-O 3.18Å; V46-Y80 HydrophobicContact CB-CE1 3.98Å; V46-Y80 HydrophobicContact CB-CE2 4.14Å; V46-Y80 HydrophobicContact CG1-CD1 4.13Å; V46-Y80 HydrophobicContact CG1-CE1 3.96Å; V46-Y80 HydrophobicContact CG2-CD1 4.18Å; V46-Y80 HydrophobicContact CG2-CD2 3.58Å; V46-Y80 HydrophobicContact CG2-CE1 3.86Å; V46-Y80 HydrophobicContact CG2-CE2 3.19Å; V46-Y80 HydrophobicContact CG2-CG 4.05Å; W65-Y80 HydrophobicContact CD2-CD1 4.31Å; W65-Y80 AromaticContact CE3-CD1 3.59Å; W65-Y80 HydrophobicContact CE3-CD1 3.59Å; W65-Y80 AromaticContact CE3-CE1 3.78Å; W65-Y80 HydrophobicContact CE3-CE1 3.78Å; W65-Y80 AromaticContact CZ3-CD1 3.83Å; W65-Y80 HydrophobicContact CZ3-CD1 3.83Å; W65-Y80 AromaticContact CZ3-CE1 3.66Å; W65-Y80 HydrophobicContact CZ3-CE1 3.66Å; I76-Y80 HydrophobicContact CG2-CE2 3.73Å; I76-Y80 WeakPolarHBondContact O-CD2 3.37Å; I76-Y80 WeakPolarHBondContact O-CE2 3.36Å; T77-Y80 PolarHBondContact O-N 3.11Å; S78-Y80 PolarHBondContact O-N 3.02Å; Y80-R82 VanDerWaalsContact C-N 3.31Å; Y80-R82 PolarHBondContact O-N 3.01Å
81Y89.6Confident84.7Confident0 Ų049.4 Ų49.40%026%0.259CS..Hα-helixtrans-71.5-25.6176.7-57-27000113V15 I17 S78 A79 G83 A84 E108 L109 H112V15-Y81 HydrophobicContact CG1-CD1 4.42Å; V15-Y81 HydrophobicContact CG2-CD1 4.08Å; V15-Y81 HydrophobicContact CG2-CE1 4.36Å; I17-Y81 HydrophobicContact CG2-CE1 3.44Å; I17-Y81 VanDerWaalsContact CG2-CE1 3.44Å; S78-Y81 PolarHBondContact O-N 3.37Å; A79-Y81 VanDerWaalsContact C-N 3.33Å; Y81-G83 PolarHBondContact O-N 2.85Å; Y81-A84 VanDerWaalsContact O-CB 3.28Å; Y81-A84 WeakPolarHBondContact O-CB 3.45Å; Y81-A84 PolarHBondContact O-N 3.1Å; Y81-E108 HydrophobicContact CE2-CG 4.23Å; Y81-L109 HydrophobicContact CD1-CD1 3.88Å; Y81-L109 HydrophobicContact CD2-CD1 4.36Å; Y81-L109 HydrophobicContact CE1-CD1 4.18Å; Y81-L109 HydrophobicContact CG-CD1 3.99Å; Y81-H112 HydrophobicContact CD2-CB 3.8Å
82R87.9Confident86.3Confident208 Ų20844.8 Ų44.879%0.78524%0.238SC*.THydrogen-bonded Turntrans-59124.3177.8-179.3173-83154.6-5.2110.9K13 Y80 A84K13-R82 PolarHBondContact NZ-O 3.05Å; Y80-R82 VanDerWaalsContact C-N 3.31Å; Y80-R82 PolarHBondContact O-N 3.01Å; R82-A84 PolarHBondContact O-N 2.83Å
83G91.4Very high87.8Confident54 Ų5436.2 Ų36.256%0.55721%0.205SC*.THydrogen-bonded Turntrans74.25.3-179.200000114.8Y81 V85Y81-G83 PolarHBondContact O-N 2.85Å; G83-V85 PolarHBondContact O-N 2.92Å
84A94.9Very high89Confident1 Ų134.5 Ų34.51%0.00820%0.204CC..  trans-69.9128.8169.500000109.3K13 V15 Y81 R82 I117K13-A84 HydrophobicContact CG-CB 4.35Å; K13-A84 WeakPolarHBondContact O-CA 3.12Å; V15-A84 HydrophobicContact CG1-CB 3.87Å; V15-A84 HydrophobicContact CG2-CB 4.24Å; Y81-A84 VanDerWaalsContact O-CB 3.28Å; Y81-A84 WeakPolarHBondContact O-CB 3.45Å; Y81-A84 PolarHBondContact O-N 3.1Å; R82-A84 PolarHBondContact O-N 2.83Å; A84-I117 HydrophobicContact CB-CD1 3.94Å
85V96.1Very high90.4Very high52 Ų5237.7 Ų37.732%0.31522%0.219SC..SBendtrans-100.2-14.4176.6-66.30000111.5F12 K13 G83 V118 I172F12-V85 HydrophobicContact CB-CG2 3.8Å; F12-V85 HydrophobicContact CD1-CG2 4.07Å; F12-V85 HydrophobicContact CG-CG2 4.12Å; K13-V85 WeakPolarHBondContact O-CG2 3.49Å; K13-V85 PolarHBondContact O-N 3.31Å; G83-V85 PolarHBondContact O-N 2.92Å; V85-V118 PolarHBondContact O-N 3.4Å; V85-I172 HydrophobicContact CB-CG2 4.09Å; V85-I172 HydrophobicContact CG2-CD1 4.29Å; V85-I172 HydrophobicContact CG2-CG2 3.82Å
86G97.3Very high91.8Very high0 Ų036.9 Ų36.90%020%0.2CC..EExtended strand (participates in β ladder)trans-139.9153.6173.900000113.4K13 V14 V15 V118K13-G86 PolarHBondContact O-N 3.48Å; V14-G86 VanDerWaalsContact CA-O 3.28Å; V14-G86 WeakPolarHBondContact CA-O 3.33Å; V15-G86 PolarHBondContact N-O 2.83Å; G86-V118 CarbonylContact C-O 3.45Å; G86-V118 WeakPolarHBondContact CA-O 3.32Å
87A97.3Very high93Very high0 Ų037.1 Ų37.10%020%0.202CC..EExtended strand (participates in β ladder)trans-139.2133.9170.600000111.6V15 L109 I117 V118 I119 M120 I168V15-A87 HydrophobicContact CG2-CB 3.68Å; V15-A87 CarbonylContact O-C 3.31Å; V15-A87 VanDerWaalsContact O-CA 3.31Å; V15-A87 WeakPolarHBondContact O-CA 3.41Å; A87-L109 HydrophobicContact CB-CD1 4.15Å; A87-L109 HydrophobicContact CB-CD2 3.45Å; A87-L109 VanDerWaalsContact CB-CD2 3.45Å; A87-L109 HydrophobicContact CB-CG 4.45Å; A87-I117 HydrophobicContact CB-CD1 3.97Å; A87-V118 PolarHBondContact N-O 2.89Å; A87-I119 WeakPolarHBondContact O-CA 3.44Å; A87-M120 PolarHBondContact O-N 2.82Å; A87-I168 WeakPolarHBondContact O-CD1 3.41Å
88L98.1Very high94.2Very high1 Ų137.1 Ų37.11%0.00520%0.202CC..EExtended strand (participates in β ladder)trans-97115.6163.5-71.872.1000107.8V14 V15 L16 I17 V90 M120 V122 F165 I168V14-L88 HydrophobicContact CG1-CD1 3.38Å; V15-L88 PolarHBondContact O-N 2.86Å; L16-L88 HydrophobicContact CD2-CB 3.69Å; L16-L88 HydrophobicContact CD2-CD1 3.97Å; L16-L88 HydrophobicContact CD2-CD2 3.86Å; L16-L88 HydrophobicContact CD2-CG 4.06Å; I17-L88 PolarHBondContact N-O 3.4Å; L88-V90 HydrophobicContact CB-CG2 4.21Å; L88-M120 CarbonylContact C-O 3.6Å; L88-M120 WeakPolarHBondContact CA-O 3.31Å; L88-V122 HydrophobicContact CB-CG2 4.15Å; L88-V122 HydrophobicContact CD2-CG2 4.12Å; L88-V122 HydrophobicContact CG-CG2 4.17Å; L88-F165 HydrophobicContact CD1-CD1 4.41Å; L88-F165 HydrophobicContact CD1-CE1 4.19Å; L88-F165 HydrophobicContact CD2-CD1 4.24Å; L88-F165 HydrophobicContact CD2-CE1 3.86Å; L88-F165 HydrophobicContact CD2-CE2 4.23Å; L88-F165 HydrophobicContact CD2-CZ 3.86Å; L88-I168 HydrophobicContact CD1-CD1 3.73Å; L88-I168 HydrophobicContact CD1-CG2 4.02Å; L88-I168 HydrophobicContact CG-CD1 4.45Å
89L97.5Very high95.1Very high0 Ų036.4 Ų36.40%019%0.194CC..EExtended strand (participates in β ladder)trans-94.9103.717517751.3000109I17 V102 W105 L106 I119 M120 L121 V122I17-L89 HydrophobicContact CD1-CB 4.29Å; I17-L89 HydrophobicContact CD1-CD1 3.84Å; I17-L89 HydrophobicContact CG1-CB 4.11Å; I17-L89 HydrophobicContact CG1-CD1 3.73Å; I17-L89 HydrophobicContact CG1-CG 4.5Å; L89-V102 HydrophobicContact CD2-CG1 3.54Å; L89-V102 HydrophobicContact CG-CG1 3.99Å; L89-W105 HydrophobicContact CD1-CB 3.44Å; L89-W105 VanDerWaalsContact CD1-CB 3.44Å; L89-W105 HydrophobicContact CD1-CG 4.12Å; L89-L106 HydrophobicContact CD2-CB 3.94Å; L89-L106 HydrophobicContact CD2-CD1 4.41Å; L89-I119 HydrophobicContact CB-CG2 4.37Å; L89-M120 PolarHBondContact N-O 2.8Å; L89-L121 HydrophobicContact CD2-CD1 4.48Å; L89-L121 HydrophobicContact CG-CD1 4.14Å; L89-L121 WeakPolarHBondContact O-CA 3.28Å; L89-V122 PolarHBondContact O-N 3.49Å
90V98.3Very high95.8Very high1 Ų138.5 Ų38.51%0.00619%0.192CC..EExtended strand (participates in β ladder)trans-103.3132-167.1-167.80000110.9I17 G18 V22 K24 L27 L88 V122 N124I17-V90 PolarHBondContact O-N 3.29Å; G18-V90 WeakPolarHBondContact CA-O 3.19Å; V22-V90 HydrophobicContact CB-CG1 4.27Å; V22-V90 HydrophobicContact CG2-CB 3.91Å; V22-V90 HydrophobicContact CG2-CG1 3.8Å; K24-V90 HydrophobicContact CG-CB 4.06Å; K24-V90 HydrophobicContact CG-CG2 4.1Å; L27-V90 HydrophobicContact CD1-CG1 3.79Å; L27-V90 HydrophobicContact CD1-CG2 4.08Å; L88-V90 HydrophobicContact CB-CG2 4.21Å; V90-V122 WeakPolarHBondContact CA-O 3.28Å; V90-V122 HydrophobicContact CG1-CB 4.44Å; V90-V122 HydrophobicContact CG1-CG1 4.43Å; V90-V122 HydrophobicContact CG2-CB 4.24Å; V90-N124 HydrophobicContact CG1-CB 3.77Å
91Y98.6Very high96.3Very high0 Ų037.4 Ų37.40%019%0.19CC..EExtended strand (participates in β ladder)trans-125.6167.8167.474.6-83.5000110.7I93 Y99 V102 L121 V122 N124 V134 A139 F150Y91-I93 HydrophobicContact CE2-CB 4.47Å; Y91-I93 HydrophobicContact CE2-CG2 3.87Å; Y91-Y99 HydrophobicContact CD1-CD2 4.24Å; Y91-Y99 HydrophobicContact CD2-CD2 4.04Å; Y91-Y99 HydrophobicContact CD2-CG 4.35Å; Y91-Y99 HydrophobicContact CE1-CD2 4.2Å; Y91-Y99 HydrophobicContact CE2-CD2 4.01Å; Y91-Y99 HydrophobicContact CE2-CG 4.49Å; Y91-Y99 HydrophobicContact CG-CD2 4.16Å; Y91-V102 HydrophobicContact CD1-CG2 4.32Å; Y91-V102 HydrophobicContact CG-CG2 4.36Å; Y91-L121 HydrophobicContact CD1-CD1 3.81Å; Y91-L121 HydrophobicContact CD1-CG 4.22Å; Y91-L121 HydrophobicContact CE1-CD1 4.06Å; Y91-L121 HydrophobicContact CE1-CD2 4.21Å; Y91-L121 HydrophobicContact CE1-CG 3.96Å; Y91-V122 WeakPolarHBondContact CD1-O 3.48Å; Y91-V122 PolarHBondContact N-O 2.6Å; Y91-N124 PolarHBondContact O-N 3.4Å; Y91-V134 HydrophobicContact CD2-CG2 4.32Å; Y91-V134 HydrophobicContact CE2-CB 3.91Å; Y91-V134 HydrophobicContact CE2-CG1 3.82Å; Y91-V134 HydrophobicContact CE2-CG2 4.03Å; Y91-A139 HydrophobicContact CE1-CB 4.31Å; Y91-A139 WeakPolarHBondContact OH-CB 3.29Å; Y91-F150 HydrophobicContact CE1-CE2 4.24Å
92D98.2Very high96.6Very high11 Ų1137.4 Ų37.46%0.05919%0.191CC..EExtended strand (participates in β ladder)trans-100.4118.5176.2179.4-11.5000109.5V22 A94 K95 T98 K125V22-D92 HydrophobicContact CB-CB 4.37Å; V22-D92 HydrophobicContact CG1-CB 4.24Å; D92-A94 PolarHBondContact O-N 2.77Å; D92-A94 VanDerWaalsContact O-N 3.12Å; D92-A94 WeakPolarHBondContact OD1-CB 3.48Å; D92-A94 PolarHBondContact OD1-N 2.98Å; D92-K95 HydrophobicContact CB-CB 4.09Å; D92-K95 PolarHBondContact O-N 2.99Å; D92-T98 HydrophobicContact CB-CG2 4.41Å; D92-T98 PolarHBondContact N-OG1 3.38Å; D92-T98 PolarHBondContact O-OG1 2.95Å; D92-K125 WeakPolarHBondContact OD2-CD 3.27Å; D92-K125 VanDerWaalsContact OD2-CE 3.24Å; D92-K125 WeakPolarHBondContact OD2-CE 3.31Å; D92-K125 IonicContact OD2-NZ 2.78Å; D92-K125 PolarHBondContact OD2-NZ 3.44Å
93I98.5Very high97Very high0 Ų034.1 Ų34.10%018%0.184CC..THydrogen-bonded Turntrans-62.4-21.2-178.766.3148.5000113.3Y91 N124 K125 A133 V134Y91-I93 HydrophobicContact CE2-CB 4.47Å; Y91-I93 HydrophobicContact CE2-CG2 3.87Å; I93-N124 WeakPolarHBondContact CG1-O 3.29Å; I93-N124 PolarHBondContact N-O 3.38Å; I93-K125 WeakPolarHBondContact CD1-O 3.31Å; I93-K125 VanDerWaalsContact CG1-O 3.31Å; I93-K125 WeakPolarHBondContact CG1-O 3.26Å; I93-A133 PolarHBondContact O-N 3.31Å; I93-V134 PolarHBondContact O-N 2.83Å; I93-V134 VanDerWaalsContact O-N 3.12Å
94A98.1Very high97.2Very high27 Ų2737.8 Ų37.822%0.22318%0.181CC..THydrogen-bonded Turntrans-92.1-2.5179.200000113D92 L128 L131D92-A94 PolarHBondContact O-N 2.77Å; D92-A94 VanDerWaalsContact O-N 3.12Å; D92-A94 WeakPolarHBondContact OD1-CB 3.48Å; D92-A94 PolarHBondContact OD1-N 2.98Å; A94-L128 HydrophobicContact CB-CB 4.2Å; A94-L128 HydrophobicContact CB-CD1 4.09Å; A94-L131 WeakPolarHBondContact CA-O 3.35Å; A94-L131 HydrophobicContact CB-CB 4.01Å
95K97.2Very high97.1Very high99 Ų9937.8 Ų37.843%0.4318%0.181SC..  trans-134.494.1-178.1-170.8178.2171.8-171.90112D92 L97 T98D92-K95 HydrophobicContact CB-CB 4.09Å; D92-K95 PolarHBondContact O-N 2.99Å; K95-L97 VanDerWaalsContact C-N 3.29Å; K95-L97 PolarHBondContact O-N 3.19Å; K95-L97 VanDerWaalsContact O-N 3.15Å; K95-T98 HydrophobicContact CB-CG2 4.13Å; K95-T98 HydrophobicContact CD-CG2 3.69Å; K95-T98 HydrophobicContact CG-CG2 3.92Å; K95-T98 PolarHBondContact O-N 2.67Å; K95-T98 PolarHBondContact O-OG1 3.26Å
96H97.3Very high97.1Very high69 Ų6935.5 Ų35.532%0.31917%0.167SC..Hα-helixtrans-50.5-41.2-176.5-166.9-93.2000114.5T98 Y99 E100 A133H96-T98 PolarHBondContact O-N 3.21Å; H96-T98 VanDerWaalsContact O-N 3.1Å; H96-Y99 WeakPolarHBondContact O-CA 3.39Å; H96-Y99 WeakPolarHBondContact O-CB 3.45Å; H96-Y99 PolarHBondContact O-N 3.36Å; H96-E100 IonicContact CE1-OE1 3.84Å; H96-E100 PolarHBondContact CE1-OE1 2.85Å; H96-E100 IonicContact ND1-OE1 2.9Å; H96-E100 PolarHBondContact ND1-OE1 3.13Å; H96-E100 PolarHBondContact O-N 3.05Å; H96-A133 HydrophobicContact CB-CB 4.12Å
97L97Very high96.9Very high88 Ų8842 Ų4246%0.46120%0.195SC..Hα-helixtrans-54.7-34.5178.4-179.463000113.1K95 Y99 E100 N101K95-L97 VanDerWaalsContact C-N 3.29Å; K95-L97 PolarHBondContact O-N 3.19Å; K95-L97 VanDerWaalsContact O-N 3.15Å; L97-Y99 VanDerWaalsContact C-N 3.27Å; L97-Y99 PolarHBondContact O-N 2.62Å; L97-E100 PolarHBondContact O-N 3.4Å; L97-N101 PolarHBondContact O-N 3.18Å; L97-N101 VanDerWaalsContact O-N 3.12Å; L97-N101 PolarHBondContact O-ND2 3.4Å
98T97.3Very high96.6Very high2 Ų243.2 Ų43.21%0.01220%0.201CC..Hα-helixtrans-71.8-26.5179.168.20000112.3D19 V22 D92 K95 H96D19-T98 HydrophobicContact CB-CG2 3.98Å; V22-T98 HydrophobicContact CG1-CG2 3.76Å; D92-T98 HydrophobicContact CB-CG2 4.41Å; D92-T98 PolarHBondContact N-OG1 3.38Å; D92-T98 PolarHBondContact O-OG1 2.95Å; K95-T98 HydrophobicContact CB-CG2 4.13Å; K95-T98 HydrophobicContact CD-CG2 3.69Å; K95-T98 HydrophobicContact CG-CG2 3.92Å; K95-T98 PolarHBondContact O-N 2.67Å; K95-T98 PolarHBondContact O-OG1 3.26Å; H96-T98 PolarHBondContact O-N 3.21Å; H96-T98 VanDerWaalsContact O-N 3.1Å
99Y98.4Very high96.3Very high20 Ų2043.1 Ų43.18%0.07820%0.2CC..Hα-helixtrans-77.8-42.2173.4174.3-104.6000111.5Y91 H96 L97 N101 V102 V134 E138 A139 F142Y91-Y99 HydrophobicContact CD1-CD2 4.24Å; Y91-Y99 HydrophobicContact CD2-CD2 4.04Å; Y91-Y99 HydrophobicContact CD2-CG 4.35Å; Y91-Y99 HydrophobicContact CE1-CD2 4.2Å; Y91-Y99 HydrophobicContact CE2-CD2 4.01Å; Y91-Y99 HydrophobicContact CE2-CG 4.49Å; Y91-Y99 HydrophobicContact CG-CD2 4.16Å; H96-Y99 WeakPolarHBondContact O-CA 3.39Å; H96-Y99 WeakPolarHBondContact O-CB 3.45Å; H96-Y99 PolarHBondContact O-N 3.36Å; L97-Y99 VanDerWaalsContact C-N 3.27Å; L97-Y99 PolarHBondContact O-N 2.62Å; Y99-N101 PolarHBondContact O-N 3.5Å; Y99-V102 HydrophobicContact CD2-CG2 4.31Å; Y99-V102 WeakPolarHBondContact O-CB 3.42Å; Y99-V102 VanDerWaalsContact O-CG2 3.23Å; Y99-V102 WeakPolarHBondContact O-CG2 3.43Å; Y99-V102 PolarHBondContact O-N 3.41Å; Y99-V134 HydrophobicContact CD1-CG1 3.92Å; Y99-V134 HydrophobicContact CD1-CG2 4.25Å; Y99-V134 HydrophobicContact CD2-CG1 3.86Å; Y99-V134 HydrophobicContact CE1-CG1 4.19Å; Y99-V134 HydrophobicContact CE2-CG1 4.13Å; Y99-V134 HydrophobicContact CG-CG1 3.75Å; Y99-V134 HydrophobicContact CG-CG2 3.93Å; Y99-E138 HydrophobicContact CE1-CG 4.29Å; Y99-E138 VanDerWaalsContact CE1-OE1 3.29Å; Y99-E138 WeakPolarHBondContact CE1-OE1 3.36Å; Y99-E138 PolarHBondContact OH-O 3.34Å; Y99-A139 HydrophobicContact CE2-CB 3.83Å; Y99-F142 VanDerWaalsContact OH-CB 3.28Å; Y99-F142 WeakPolarHBondContact OH-CB 3.41Å
100E97.3Very high96.1Very high113 Ų11348.9 Ų48.953%0.52822%0.222SC..Hα-helixtrans-56.5-39.2172.3-69.5176.3176.600111.9H96 L97 V102H96-E100 IonicContact CE1-OE1 3.84Å; H96-E100 PolarHBondContact CE1-OE1 2.85Å; H96-E100 IonicContact ND1-OE1 2.9Å; H96-E100 PolarHBondContact ND1-OE1 3.13Å; H96-E100 PolarHBondContact O-N 3.05Å; L97-E100 PolarHBondContact O-N 3.4Å; E100-V102 PolarHBondContact O-N 3.11Å
101N96.1Very high95.7Very high39 Ų3953.9 Ų53.921%0.20925%0.249CC..THydrogen-bonded Turntrans-70.8-11.1178.1-74.2-32.6000114.1D19 L97 Y99 E103 R104 W105D19-N101 PolarHBondContact OD2-ND2 2.92Å; L97-N101 PolarHBondContact O-N 3.18Å; L97-N101 VanDerWaalsContact O-N 3.12Å; L97-N101 PolarHBondContact O-ND2 3.4Å; Y99-N101 PolarHBondContact O-N 3.5Å; N101-E103 VanDerWaalsContact C-N 3.27Å; N101-E103 PolarHBondContact O-N 3.14Å; N101-R104 WeakPolarHBondContact O-CB 3.39Å; N101-R104 PolarHBondContact O-N 2.93Å; N101-R104 VanDerWaalsContact O-N 3.14Å; N101-W105 PolarHBondContact O-N 3.28Å; N101-W105 VanDerWaalsContact O-N 3.09Å
102V97Very high95.3Very high1 Ų158.5 Ų58.51%0.00627%0.27CS..Hα-helixtrans-56.5-41.7177.9168.90000111L89 Y91 Y99 E100 R104 W105 L106 L121 F142L89-V102 HydrophobicContact CD2-CG1 3.54Å; L89-V102 HydrophobicContact CG-CG1 3.99Å; Y91-V102 HydrophobicContact CD1-CG2 4.32Å; Y91-V102 HydrophobicContact CG-CG2 4.36Å; Y99-V102 HydrophobicContact CD2-CG2 4.31Å; Y99-V102 WeakPolarHBondContact O-CB 3.42Å; Y99-V102 VanDerWaalsContact O-CG2 3.23Å; Y99-V102 WeakPolarHBondContact O-CG2 3.43Å; Y99-V102 PolarHBondContact O-N 3.41Å; E100-V102 PolarHBondContact O-N 3.11Å; V102-R104 VanDerWaalsContact C-N 3.29Å; V102-R104 PolarHBondContact O-N 2.95Å; V102-W105 PolarHBondContact O-N 2.95Å; V102-L106 WeakPolarHBondContact O-CB 3.36Å; V102-L106 PolarHBondContact O-N 3.3Å; V102-L121 HydrophobicContact CG1-CD1 3.63Å; V102-L121 HydrophobicContact CG2-CD1 4.09Å; V102-F142 HydrophobicContact CG1-CD1 4.3Å; V102-F142 HydrophobicContact CG1-CE1 3.46Å; V102-F142 VanDerWaalsContact CG1-CE1 3.46Å; V102-F142 HydrophobicContact CG1-CZ 3.77Å
103E96.2Very high94.9Very high139 Ų13958.9 Ų58.965%0.6528%0.275SS*.Hα-helixtrans-60.7-41.1179.6-175171.6-166.400111.8N101 L106 K107N101-E103 VanDerWaalsContact C-N 3.27Å; N101-E103 PolarHBondContact O-N 3.14Å; E103-L106 PolarHBondContact O-N 3.47Å; E103-K107 WeakPolarHBondContact O-CB 3.42Å; E103-K107 PolarHBondContact O-N 2.79Å
104R93.8Very high94.4Very high131 Ų13163.1 Ų63.149%0.49430%0.297SS..Hα-helixtrans-64.3-45.2176.2-179.2-179.7178.4-175.2-0.5111.9R74 N101 V102 K107 E108R74-R104 VanDerWaalsContact CZ-NE 3.33Å; R74-R104 VanDerWaalsContact NE-NH2 3.19Å; R74-R104 VanDerWaalsContact NH2-NH1 3.13Å; N101-R104 WeakPolarHBondContact O-CB 3.39Å; N101-R104 PolarHBondContact O-N 2.93Å; N101-R104 VanDerWaalsContact O-N 3.14Å; V102-R104 VanDerWaalsContact C-N 3.29Å; V102-R104 PolarHBondContact O-N 2.95Å; R104-K107 PolarHBondContact O-N 3.28Å; R104-E108 WeakPolarHBondContact O-CB 3.4Å; R104-E108 PolarHBondContact O-N 2.68Å
105W94Very high94Very high1 Ų167.4 Ų67.40%0.00433%0.325CS..Hα-helixtrans-65.5-39.6177.5-76.5109.9000112.3I17 G18 D19 L89 N101 V102 K107 E108 L109I17-W105 HydrophobicContact CB-CE3 4.19Å; I17-W105 HydrophobicContact CD1-CB 4.45Å; G18-W105 VanDerWaalsContact C-CE2 3.45Å; G18-W105 WeakPolarHBondContact O-CZ2 3.28Å; D19-W105 PolarHBondContact OD1-NE1 3.44Å; L89-W105 HydrophobicContact CD1-CB 3.44Å; L89-W105 VanDerWaalsContact CD1-CB 3.44Å; L89-W105 HydrophobicContact CD1-CG 4.12Å; N101-W105 PolarHBondContact O-N 3.28Å; N101-W105 VanDerWaalsContact O-N 3.09Å; V102-W105 PolarHBondContact O-N 2.95Å; W105-K107 VanDerWaalsContact C-N 3.35Å; W105-E108 PolarHBondContact O-N 2.69Å; W105-L109 WeakPolarHBondContact O-CB 3.46Å; W105-L109 PolarHBondContact O-N 2.82Å
106L95Very high93.6Very high4 Ų467 Ų672%0.02133%0.328CS..Hα-helixtrans-62.4-43.7176.6-179.861000111.3L89 V102 E103 L109 R110 I119 F142 N146 L148L89-L106 HydrophobicContact CD2-CB 3.94Å; L89-L106 HydrophobicContact CD2-CD1 4.41Å; V102-L106 WeakPolarHBondContact O-CB 3.36Å; V102-L106 PolarHBondContact O-N 3.3Å; E103-L106 PolarHBondContact O-N 3.47Å; L106-L109 PolarHBondContact O-N 3.3Å; L106-R110 HydrophobicContact CD1-CG 4.49Å; L106-R110 WeakPolarHBondContact O-CB 3.46Å; L106-R110 WeakPolarHBondContact O-CG 3.46Å; L106-R110 PolarHBondContact O-N 2.9Å; L106-I119 HydrophobicContact CD1-CD1 3.76Å; L106-I119 HydrophobicContact CD1-CG2 4.42Å; L106-F142 HydrophobicContact CD2-CE1 4.43Å; L106-F142 HydrophobicContact CD2-CZ 4.22Å; L106-N146 HydrophobicContact CD2-CB 3.95Å; L106-L148 HydrophobicContact CD1-CD1 4.4Å; L106-L148 HydrophobicContact CD1-CD2 3.96Å; L106-L148 HydrophobicContact CD2-CD1 4.21Å
107K93.5Very high93.5Very high136 Ų13664.6 Ų64.659%0.59132%0.318SS*.Hα-helixtrans-60.6-50.6173.9-176.3-178.8176-1750111.2E103 R104 W105 L109 R110 D111E103-K107 WeakPolarHBondContact O-CB 3.42Å; E103-K107 PolarHBondContact O-N 2.79Å; R104-K107 PolarHBondContact O-N 3.28Å; W105-K107 VanDerWaalsContact C-N 3.35Å; K107-L109 VanDerWaalsContact C-N 3.27Å; K107-L109 PolarHBondContact O-N 3.15Å; K107-R110 PolarHBondContact O-N 2.81Å; K107-R110 VanDerWaalsContact O-N 3.14Å; K107-D111 WeakPolarHBondContact O-CB 3.22Å; K107-D111 PolarHBondContact O-N 2.89Å
108E90.5Very high93.5Very high25 Ų2560.9 Ų60.912%0.11730%0.299CS..Hα-helixtrans-57.4-40.9-180-166.8-179.5139.100112R74 T77 Y81 R104 W105 H112R74-E108 IonicContact NH1-OE2 2.69Å; R74-E108 PolarHBondContact NH1-OE2 2.95Å; T77-E108 PolarHBondContact OG1-OE1 2.72Å; T77-E108 VanDerWaalsContact OG1-OE1 3.04Å; Y81-E108 HydrophobicContact CE2-CG 4.23Å; R104-E108 WeakPolarHBondContact O-CB 3.4Å; R104-E108 PolarHBondContact O-N 2.68Å; W105-E108 PolarHBondContact O-N 2.69Å; E108-H112 PolarHBondContact O-ND1 3.37Å
109L92.5Very high93.6Very high0 Ų061.4 Ų61.40%030%0.301CS..Hα-helixtrans-64.1-49.5175.4-176.468.8000111.6V15 I17 Y81 A87 W105 L106 K107 D111 H112 A113 I117 I119V15-L109 HydrophobicContact CG2-CD1 4.3Å; I17-L109 HydrophobicContact CD1-CB 3.96Å; I17-L109 HydrophobicContact CD1-CD1 4.26Å; I17-L109 HydrophobicContact CD1-CD2 3.86Å; I17-L109 HydrophobicContact CD1-CG 4.25Å; Y81-L109 HydrophobicContact CD1-CD1 3.88Å; Y81-L109 HydrophobicContact CD2-CD1 4.36Å; Y81-L109 HydrophobicContact CE1-CD1 4.18Å; Y81-L109 HydrophobicContact CG-CD1 3.99Å; A87-L109 HydrophobicContact CB-CD1 4.15Å; A87-L109 HydrophobicContact CB-CD2 3.45Å; A87-L109 VanDerWaalsContact CB-CD2 3.45Å; A87-L109 HydrophobicContact CB-CG 4.45Å; W105-L109 WeakPolarHBondContact O-CB 3.46Å; W105-L109 PolarHBondContact O-N 2.82Å; L106-L109 PolarHBondContact O-N 3.3Å; K107-L109 VanDerWaalsContact C-N 3.27Å; K107-L109 PolarHBondContact O-N 3.15Å; L109-D111 VanDerWaalsContact C-N 3.26Å; L109-D111 PolarHBondContact O-N 3.04Å; L109-H112 PolarHBondContact O-N 3.37Å; L109-A113 HydrophobicContact CD1-CB 3.95Å; L109-A113 HydrophobicContact CG-CB 4.22Å; L109-A113 WeakPolarHBondContact O-CB 3.34Å; L109-A113 PolarHBondContact O-N 2.99Å; L109-I117 HydrophobicContact CD1-CD1 3.96Å; L109-I117 HydrophobicContact CD2-CD1 4.33Å; L109-I117 HydrophobicContact CG-CD1 4.37Å; L109-I119 HydrophobicContact CD2-CD1 3.72Å; L109-I119 HydrophobicContact CD2-CG1 3.81Å; L109-I119 HydrophobicContact CD2-CG2 4.31Å
110R92.9Very high93.6Very high120 Ų12060.6 Ų60.645%0.45330%0.298SS..Hα-helixtrans-63.9-30-179.6-75.5178.1173.2163.60.8113.1L106 K107 H112 N146L106-R110 HydrophobicContact CD1-CG 4.49Å; L106-R110 WeakPolarHBondContact O-CB 3.46Å; L106-R110 WeakPolarHBondContact O-CG 3.46Å; L106-R110 PolarHBondContact O-N 2.9Å; K107-R110 PolarHBondContact O-N 2.81Å; K107-R110 VanDerWaalsContact O-N 3.14Å; R110-H112 VanDerWaalsContact C-N 3.28Å; R110-H112 PolarHBondContact O-N 2.92Å; R110-N146 PolarHBondContact NH2-O 3.01Å
111D91.3Very high93.6Very high106 Ų10655.2 Ų55.257%0.56727%0.273SS*.Hα-helixtrans-71.6-19.8178.5-69.9-15.3000113K107 L109K107-D111 WeakPolarHBondContact O-CB 3.22Å; K107-D111 PolarHBondContact O-N 2.89Å; L109-D111 VanDerWaalsContact C-N 3.26Å; L109-D111 PolarHBondContact O-N 3.04Å
112H89.3Confident93.8Very high98 Ų9853.4 Ų53.445%0.45426%0.263SS..Hα-helixtrans-130.9-20.4-169.1-6493.3000115.5Y81 E108 L109 R110Y81-H112 HydrophobicContact CD2-CB 3.8Å; E108-H112 PolarHBondContact O-ND1 3.37Å; L109-H112 PolarHBondContact O-N 3.37Å; R110-H112 VanDerWaalsContact C-N 3.28Å; R110-H112 PolarHBondContact O-N 2.92Å
113A89.6Confident93.9Very high18 Ų1853.3 Ų53.315%0.14926%0.263CS..SBendtrans-87.2173.3177.300000112L109 I117L109-A113 HydrophobicContact CD1-CB 3.95Å; L109-A113 HydrophobicContact CG-CB 4.22Å; L109-A113 WeakPolarHBondContact O-CB 3.34Å; L109-A113 PolarHBondContact O-N 2.99Å; A113-I117 HydrophobicContact CB-CB 4.32Å; A113-I117 HydrophobicContact CB-CD1 3.73Å; A113-I117 HydrophobicContact CB-CG2 4.05Å
114D88.8Confident94Very high90 Ų9046.8 Ų46.848%0.48123%0.232SC..  trans-64.1140.8169.2-164.8-71.4000110.1N116 I117D114-N116 PolarHBondContact O-N 3.2Å; D114-N116 WeakPolarHBondContact OD1-CB 3.17Å; D114-N116 PolarHBondContact OD1-N 2.78Å; D114-N116 PolarHBondContact OD1-ND2 3.3Å; D114-I117 WeakPolarHBondContact O-CB 3.49Å; D114-I117 WeakPolarHBondContact O-CG2 3.18Å; D114-I117 PolarHBondContact O-N 3.18Å
115S88.5Confident94.2Very high116 Ų11643 Ų4381%0.81122%0.219SC*.THydrogen-bonded Turntrans-54.2-25175.456.80000114.3
116N90.2Very high94.4Very high92 Ų9243.1 Ų43.149%0.49222%0.221SC..THydrogen-bonded Turntrans-95.312.1-179.3-57.1-80.9000113.5D114 V118D114-N116 PolarHBondContact O-N 3.2Å; D114-N116 WeakPolarHBondContact OD1-CB 3.17Å; D114-N116 PolarHBondContact OD1-N 2.78Å; D114-N116 PolarHBondContact OD1-ND2 3.3Å; N116-V118 PolarHBondContact O-N 2.98Å
117I95.2Very high94.5Very high18 Ų1845 Ų459%0.09223%0.23CC..  trans-60.9130.8178.6-169.5166.8000110.7A84 A87 L109 A113 D114 I119A84-I117 HydrophobicContact CB-CD1 3.94Å; A87-I117 HydrophobicContact CB-CD1 3.97Å; L109-I117 HydrophobicContact CD1-CD1 3.96Å; L109-I117 HydrophobicContact CD2-CD1 4.33Å; L109-I117 HydrophobicContact CG-CD1 4.37Å; A113-I117 HydrophobicContact CB-CB 4.32Å; A113-I117 HydrophobicContact CB-CD1 3.73Å; A113-I117 HydrophobicContact CB-CG2 4.05Å; D114-I117 WeakPolarHBondContact O-CB 3.49Å; D114-I117 WeakPolarHBondContact O-CG2 3.18Å; D114-I117 PolarHBondContact O-N 3.18Å; I117-I119 HydrophobicContact CG2-CD1 4.02Å; I117-I119 HydrophobicContact CG2-CG1 3.94Å
118V97Very high94.6Very high10 Ų1040.7 Ų40.76%0.06121%0.214CC..EExtended strand (participates in β ladder)trans-79.7127.6173.6-179.80000108.9V85 G86 A87 N116 I168 E171 I172 I175V85-V118 PolarHBondContact O-N 3.4Å; G86-V118 CarbonylContact C-O 3.45Å; G86-V118 WeakPolarHBondContact CA-O 3.32Å; A87-V118 PolarHBondContact N-O 2.89Å; N116-V118 PolarHBondContact O-N 2.98Å; V118-I168 HydrophobicContact CB-CG1 4.48Å; V118-I168 HydrophobicContact CG1-CG1 3.89Å; V118-E171 HydrophobicContact CG1-CB 4.12Å; V118-E171 HydrophobicContact CG1-CG 3.73Å; V118-E171 WeakPolarHBondContact CG1-OE2 3.44Å; V118-E171 HydrophobicContact CG2-CG 4.4Å; V118-I172 HydrophobicContact CB-CG1 3.75Å; V118-I172 HydrophobicContact CG1-CG1 4.34Å; V118-I172 HydrophobicContact CG2-CG1 3.66Å; V118-I175 HydrophobicContact CG2-CD1 3.47Å; V118-I175 VanDerWaalsContact CG2-CD1 3.47Å
119I97.8Very high94.8Very high13 Ų1347.8 Ų47.87%0.06724%0.24CC..EExtended strand (participates in β ladder)trans-121.5127.7-175.2-51.1169.8000109.7A87 L89 L106 L109 I117 L148 S149A87-I119 WeakPolarHBondContact O-CA 3.44Å; L89-I119 HydrophobicContact CB-CG2 4.37Å; L106-I119 HydrophobicContact CD1-CD1 3.76Å; L106-I119 HydrophobicContact CD1-CG2 4.42Å; L109-I119 HydrophobicContact CD2-CD1 3.72Å; L109-I119 HydrophobicContact CD2-CG1 3.81Å; L109-I119 HydrophobicContact CD2-CG2 4.31Å; I117-I119 HydrophobicContact CG2-CD1 4.02Å; I117-I119 HydrophobicContact CG2-CG1 3.94Å; I119-L148 HydrophobicContact CB-CD2 3.75Å; I119-L148 HydrophobicContact CD1-CD2 4.16Å; I119-L148 HydrophobicContact CG2-CD2 3.82Å; I119-L148 WeakPolarHBondContact O-CA 3.12Å; I119-S149 PolarHBondContact O-N 2.91Å; I119-S149 VanDerWaalsContact O-N 3.11Å
120M98.5Very high95Very high3 Ų355 Ų552%0.01527%0.273CS..EExtended strand (participates in β ladder)trans-115122.4172.7-176.4175.5-74.100110.4A87 L88 L89 V122 S149 I151 A164 N167 I168A87-M120 PolarHBondContact O-N 2.82Å; L88-M120 CarbonylContact C-O 3.6Å; L88-M120 WeakPolarHBondContact CA-O 3.31Å; L89-M120 PolarHBondContact N-O 2.8Å; M120-V122 HydrophobicContact CG-CG2 3.98Å; M120-V122 HydrophobicContact SD-CG2 4.29Å; M120-S149 CarbonylContact C-O 3.49Å; M120-S149 WeakPolarHBondContact CA-O 3.37Å; M120-I151 HydrophobicContact CG-CG2 4.28Å; M120-I151 HydrophobicContact SD-CG2 3.66Å; M120-A164 HydrophobicContact SD-CB 4.11Å; M120-N167 HydrophobicContact CE-CB 3.65Å; M120-I168 HydrophobicContact CB-CD1 4.09Å; M120-I168 HydrophobicContact CB-CG1 4.47Å; M120-I168 HydrophobicContact CE-CB 3.97Å
121L98.7Very high95.2Very high0 Ų054 Ų540%028%0.276CS..EExtended strand (participates in β ladder)trans-77127.5167.5-176.668.3000109.5L89 Y91 V102 A139 F142 A143 L148 S149 F150 I151L89-L121 HydrophobicContact CD2-CD1 4.48Å; L89-L121 HydrophobicContact CG-CD1 4.14Å; L89-L121 WeakPolarHBondContact O-CA 3.28Å; Y91-L121 HydrophobicContact CD1-CD1 3.81Å; Y91-L121 HydrophobicContact CD1-CG 4.22Å; Y91-L121 HydrophobicContact CE1-CD1 4.06Å; Y91-L121 HydrophobicContact CE1-CD2 4.21Å; Y91-L121 HydrophobicContact CE1-CG 3.96Å; V102-L121 HydrophobicContact CG1-CD1 3.63Å; V102-L121 HydrophobicContact CG2-CD1 4.09Å; L121-A139 HydrophobicContact CD2-CB 4.36Å; L121-F142 HydrophobicContact CD2-CD1 4.02Å; L121-A143 HydrophobicContact CB-CB 4.4Å; L121-A143 HydrophobicContact CD2-CB 4.08Å; L121-L148 HydrophobicContact CB-CD1 4.36Å; L121-S149 PolarHBondContact N-O 3.06Å; L121-F150 HydrophobicContact CB-CD2 4.05Å; L121-F150 HydrophobicContact CD2-CD2 3.84Å; L121-F150 HydrophobicContact CD2-CE2 4.2Å; L121-F150 HydrophobicContact CG-CD2 3.94Å; L121-F150 HydrophobicContact CG-CE2 4.37Å; L121-F150 WeakPolarHBondContact O-CA 3.38Å; L121-F150 WeakPolarHBondContact O-CD2 3.31Å; L121-I151 PolarHBondContact O-N 2.88Å; L121-I151 VanDerWaalsContact O-N 3.1Å
122V98.8Very high95.5Very high0 Ų052.5 Ų52.50%026%0.262CS..EExtended strand (participates in β ladder)trans-122.8111.2-177.2-177.90000110.3L27 L88 L89 V90 Y91 M120 N124 I151 T153L27-V122 HydrophobicContact CD1-CG1 4.23Å; L88-V122 HydrophobicContact CB-CG2 4.15Å; L88-V122 HydrophobicContact CD2-CG2 4.12Å; L88-V122 HydrophobicContact CG-CG2 4.17Å; L89-V122 PolarHBondContact O-N 3.49Å; V90-V122 WeakPolarHBondContact CA-O 3.28Å; V90-V122 HydrophobicContact CG1-CB 4.44Å; V90-V122 HydrophobicContact CG1-CG1 4.43Å; V90-V122 HydrophobicContact CG2-CB 4.24Å; Y91-V122 WeakPolarHBondContact CD1-O 3.48Å; Y91-V122 PolarHBondContact N-O 2.6Å; M120-V122 HydrophobicContact CG-CG2 3.98Å; M120-V122 HydrophobicContact SD-CG2 4.29Å; V122-N124 PolarHBondContact O-N 3.37Å; V122-I151 VanDerWaalsContact CA-O 3.32Å; V122-I151 WeakPolarHBondContact CA-O 3.44Å; V122-I151 HydrophobicContact CG2-CG2 4.14Å; V122-T153 HydrophobicContact CG1-CG2 3.69Å; V122-T153 VanDerWaalsContact CG1-OG1 3.27Å; V122-T153 WeakPolarHBondContact CG1-OG1 3.26Å
123G98.8Very high95.9Very high0 Ų049.8 Ų49.80%026%0.257CS..EExtended strand (participates in β ladder)trans-84.393.7170.500000110.7I151 E152 T153G123-I151 PolarHBondContact N-O 3.2Å; G123-E152 CarbonylContact O-C 3.59Å; G123-E152 WeakPolarHBondContact O-CA 3.38Å; G123-E152 WeakPolarHBondContact O-CB 3.38Å; G123-T153 PolarHBondContact O-N 2.86Å
124N98.7Very high96.3Very high2 Ų249 Ų491%0.01125%0.25CS..EExtended strand (participates in β ladder)trans-84.6164.3-177-166.935.6000112.6V22 L27 V90 Y91 I93 V122 T153 A155V22-N124 PolarHBondContact O-ND2 2.93Å; L27-N124 HydrophobicContact CD1-CB 4.26Å; V90-N124 HydrophobicContact CG1-CB 3.77Å; Y91-N124 PolarHBondContact O-N 3.4Å; I93-N124 WeakPolarHBondContact CG1-O 3.29Å; I93-N124 PolarHBondContact N-O 3.38Å; V122-N124 PolarHBondContact O-N 3.37Å; N124-T153 CarbonylContact C-O 3.33Å; N124-T153 VanDerWaalsContact C-O 3.31Å; N124-T153 VanDerWaalsContact CA-O 3.26Å; N124-T153 WeakPolarHBondContact CA-O 3.46Å; N124-T153 PolarHBondContact OD1-O 2.68Å; N124-T153 PolarHBondContact OD1-OG1 2.56Å; N124-A155 PolarHBondContact OD1-N 3.25Å
125K98.1Very high96.7Very high50 Ų5047.9 Ų47.922%0.21725%0.248CC..  trans70.538.2-177-44.9-169.1-166.1169.20113.6G21 D92 I93 D127 L128 T153G21-K125 WeakPolarHBondContact O-CE 3.31Å; G21-K125 PolarHBondContact O-NZ 3.38Å; D92-K125 WeakPolarHBondContact OD2-CD 3.27Å; D92-K125 VanDerWaalsContact OD2-CE 3.24Å; D92-K125 WeakPolarHBondContact OD2-CE 3.31Å; D92-K125 IonicContact OD2-NZ 2.78Å; D92-K125 PolarHBondContact OD2-NZ 3.44Å; I93-K125 WeakPolarHBondContact CD1-O 3.31Å; I93-K125 VanDerWaalsContact CG1-O 3.31Å; I93-K125 WeakPolarHBondContact CG1-O 3.26Å; K125-D127 WeakPolarHBondContact CA-OD1 3.46Å; K125-D127 PolarHBondContact O-N 3.04Å; K125-L128 HydrophobicContact CB-CD1 4.07Å; K125-L128 HydrophobicContact CB-CG 4.27Å; K125-L128 HydrophobicContact CD-CD1 4.06Å; K125-L128 WeakPolarHBondContact O-CB 3.45Å; K125-L128 PolarHBondContact O-N 2.92Å; K125-T153 PolarHBondContact N-O 3.35Å
126S98.1Very high97.2Very high5 Ų544 Ų444%0.03522%0.22CC..THydrogen-bonded Turntrans-62.4-9.4176.869.10000114.5L128 R129 T153 S154S126-L128 VanDerWaalsContact C-N 3.34Å; S126-R129 WeakPolarHBondContact O-CG 3.35Å; S126-R129 PolarHBondContact O-NE 2.71Å; S126-T153 WeakPolarHBondContact CB-O 3.09Å; S126-T153 PolarHBondContact N-O 2.96Å; S126-T153 PolarHBondContact OG-O 3.45Å; S126-S154 WeakPolarHBondContact OG-CB 3.08Å; S126-S154 PolarHBondContact OG-N 2.92Å
127D97.7Very high97.5Very high42 Ų4244.9 Ų44.923%0.22522%0.224CC..THydrogen-bonded Turntrans-68.7-29.6167.355-75.4000112.6K125 R129 S154 L156K125-D127 WeakPolarHBondContact CA-OD1 3.46Å; K125-D127 PolarHBondContact O-N 3.04Å; D127-R129 PolarHBondContact O-N 3.49Å; D127-S154 VanDerWaalsContact CG-OG 3.32Å; D127-S154 VanDerWaalsContact OD1-CB 3.25Å; D127-S154 WeakPolarHBondContact OD1-CB 3.18Å; D127-S154 PolarHBondContact OD1-OG 2.87Å; D127-L156 HydrophobicContact CB-CD2 4.28Å; D127-L156 VanDerWaalsContact OD2-CD2 3.31Å; D127-L156 WeakPolarHBondContact OD2-CD2 3.15Å
128L96Very high97.6Very high47 Ų4748 Ų4825%0.24624%0.238CC..  trans-82.539178.7-58.4-177.7000112.8A94 K125 S126 H130 L131 R132A94-L128 HydrophobicContact CB-CB 4.2Å; A94-L128 HydrophobicContact CB-CD1 4.09Å; K125-L128 HydrophobicContact CB-CD1 4.07Å; K125-L128 HydrophobicContact CB-CG 4.27Å; K125-L128 HydrophobicContact CD-CD1 4.06Å; K125-L128 WeakPolarHBondContact O-CB 3.45Å; K125-L128 PolarHBondContact O-N 2.92Å; S126-L128 VanDerWaalsContact C-N 3.34Å; L128-H130 PolarHBondContact O-N 3.43Å; L128-L131 HydrophobicContact CB-CB 4.47Å; L128-L131 CarbonylContact O-C 3.56Å; L128-L131 PolarHBondContact O-N 2.84Å; L128-R132 PolarHBondContact O-N 2.86Å
129R94.8Very high97.7Very high174 Ų17447.5 Ų47.566%0.65724%0.236SC*.G310 helixtrans-53.8-34.3-176.2-57.6-170.8179.5-172.6-0.2113.4S126 D127 L131 R132S126-R129 WeakPolarHBondContact O-CG 3.35Å; S126-R129 PolarHBondContact O-NE 2.71Å; D127-R129 PolarHBondContact O-N 3.49Å; R129-L131 VanDerWaalsContact C-N 3.25Å; R129-L131 PolarHBondContact O-N 3.44Å; R129-R132 WeakPolarHBondContact O-CB 3.38Å; R129-R132 PolarHBondContact O-N 3.12Å
130H95.8Very high97.7Very high150 Ų15051.9 Ų51.969%0.69425%0.251SS*.G310 helixtrans-72.5-15.4179.861.5-77.4000113.7L128L128-H130 PolarHBondContact O-N 3.43Å
131L97Very high97.7Very high100 Ų10054.2 Ų54.252%0.52427%0.271SS..G310 helixtrans-11112.8175.7-59.8175.5000112.2A94 L128 R129 A133A94-L131 WeakPolarHBondContact CA-O 3.35Å; A94-L131 HydrophobicContact CB-CB 4.01Å; L128-L131 HydrophobicContact CB-CB 4.47Å; L128-L131 CarbonylContact O-C 3.56Å; L128-L131 PolarHBondContact O-N 2.84Å; R129-L131 VanDerWaalsContact C-N 3.25Å; R129-L131 PolarHBondContact O-N 3.44Å; L131-A133 PolarHBondContact O-N 3.15Å; L131-A133 VanDerWaalsContact O-N 3.11Å
132R98.1Very high97.7Very high74 Ų7456 Ų5628%0.27928%0.279SS..  trans-56.3119.9-176.5178.2179.6-70-86.55.9110.6L128 R129 V134 T136 E152L128-R132 PolarHBondContact O-N 2.86Å; R129-R132 WeakPolarHBondContact O-CB 3.38Å; R129-R132 PolarHBondContact O-N 3.12Å; R132-V134 VanDerWaalsContact CD-O 3.3Å; R132-V134 WeakPolarHBondContact CD-O 3.07Å; R132-V134 WeakPolarHBondContact CG-O 3.2Å; R132-V134 PolarHBondContact NH1-O 2.89Å; R132-T136 PolarHBondContact NH1-OG1 3.37Å; R132-T136 VanDerWaalsContact NH1-OG1 3.15Å; R132-E152 IonicContact CZ-OE1 2.72Å; R132-E152 IonicContact CZ-OE2 3.58Å; R132-E152 IonicContact NH1-OE1 3.59Å; R132-E152 PolarHBondContact NH1-OE1 3.35Å; R132-E152 IonicContact NH1-OE2 3.37Å; R132-E152 IonicContact NH2-OE1 3.63Å; R132-E152 PolarHBondContact NH2-OE1 2.86Å; R132-E152 IonicContact NH2-OE2 3.46Å; R132-E152 PolarHBondContact NH2-OE2 2.82Å
133A97.8Very high97.7Very high42 Ų4256 Ų5635%0.34728%0.279SS..  trans-102.8-18.3174.400000112.3I93 H96 L131I93-A133 PolarHBondContact O-N 3.31Å; H96-A133 HydrophobicContact CB-CB 4.12Å; L131-A133 PolarHBondContact O-N 3.15Å; L131-A133 VanDerWaalsContact O-N 3.11Å
134V97.7Very high97.6Very high0 Ų062.3 Ų62.30%031%0.309CS..SBendtrans-117.4111.1-179.9-174.20000109.7Y91 I93 Y99 R132 A139Y91-V134 HydrophobicContact CD2-CG2 4.32Å; Y91-V134 HydrophobicContact CE2-CB 3.91Å; Y91-V134 HydrophobicContact CE2-CG1 3.82Å; Y91-V134 HydrophobicContact CE2-CG2 4.03Å; I93-V134 PolarHBondContact O-N 2.83Å; I93-V134 VanDerWaalsContact O-N 3.12Å; Y99-V134 HydrophobicContact CD1-CG1 3.92Å; Y99-V134 HydrophobicContact CD1-CG2 4.25Å; Y99-V134 HydrophobicContact CD2-CG1 3.86Å; Y99-V134 HydrophobicContact CE1-CG1 4.19Å; Y99-V134 HydrophobicContact CE2-CG1 4.13Å; Y99-V134 HydrophobicContact CG-CG1 3.75Å; Y99-V134 HydrophobicContact CG-CG2 3.93Å; R132-V134 VanDerWaalsContact CD-O 3.3Å; R132-V134 WeakPolarHBondContact CD-O 3.07Å; R132-V134 WeakPolarHBondContact CG-O 3.2Å; R132-V134 PolarHBondContact NH1-O 2.89Å; V134-A139 HydrophobicContact CG1-CB 4.25Å
135P97.6Very high97.6Very high67 Ų6770.6 Ų70.644%0.43534%0.344SS..  trans-57.7135.6171.9-23.133.5000111.9D137 E138 A139P135-D137 PolarHBondContact O-N 2.98Å; P135-E138 HydrophobicContact CB-CB 4.15Å; P135-E138 WeakPolarHBondContact CD-OE2 3.45Å; P135-E138 WeakPolarHBondContact O-CB 3.39Å; P135-E138 PolarHBondContact O-N 3.01Å; P135-A139 PolarHBondContact O-N 3.43Å
136T97.8Very high97.5Very high35 Ų3569.6 Ų69.622%0.21534%0.342CS..Hα-helixtrans-58.6-38-179.8-55.70000112.2R132 E138 A139 R140 F150 E152R132-T136 PolarHBondContact NH1-OG1 3.37Å; R132-T136 VanDerWaalsContact NH1-OG1 3.15Å; T136-E138 VanDerWaalsContact C-N 3.33Å; T136-E138 PolarHBondContact O-N 2.93Å; T136-A139 PolarHBondContact O-N 3.14Å; T136-R140 WeakPolarHBondContact O-CB 3.32Å; T136-R140 PolarHBondContact O-N 2.94Å; T136-F150 HydrophobicContact CG2-CE1 3.85Å; T136-F150 HydrophobicContact CG2-CZ 4.24Å; T136-E152 WeakPolarHBondContact CB-OE1 3.34Å; T136-E152 HydrophobicContact CG2-CG 4.49Å; T136-E152 WeakPolarHBondContact CG2-OE1 3.39Å; T136-E152 PolarHBondContact OG1-OE1 3.44Å
137D97.8Very high97.4Very high111 Ų11176.5 Ų76.559%0.59438%0.378SS*.Hα-helixtrans-70.4-31.5-178.5-62.1-25000112.3P135 R140 A141P135-D137 PolarHBondContact O-N 2.98Å; D137-R140 IonicContact OD1-CZ 3.7Å; D137-R140 IonicContact OD1-NH1 2.94Å; D137-R140 PolarHBondContact OD1-NH1 2.93Å; D137-A141 VanDerWaalsContact O-CB 3.31Å; D137-A141 WeakPolarHBondContact O-CB 3.45Å; D137-A141 PolarHBondContact O-N 3.48Å
138E97.6Very high97.4Very high83 Ų8375.1 Ų75.139%0.38837%0.371SS..Hα-helixtrans-65.5-49174.5-172.6-174.2160.100110.8Y99 P135 T136 R140 A141 F142Y99-E138 HydrophobicContact CE1-CG 4.29Å; Y99-E138 VanDerWaalsContact CE1-OE1 3.29Å; Y99-E138 WeakPolarHBondContact CE1-OE1 3.36Å; Y99-E138 PolarHBondContact OH-O 3.34Å; P135-E138 HydrophobicContact CB-CB 4.15Å; P135-E138 WeakPolarHBondContact CD-OE2 3.45Å; P135-E138 WeakPolarHBondContact O-CB 3.39Å; P135-E138 PolarHBondContact O-N 3.01Å; T136-E138 VanDerWaalsContact C-N 3.33Å; T136-E138 PolarHBondContact O-N 2.93Å; E138-R140 VanDerWaalsContact C-N 3.34Å; E138-R140 PolarHBondContact O-N 3.22Å; E138-A141 PolarHBondContact O-N 2.83Å; E138-F142 PolarHBondContact O-N 3.2Å
139A98Very high97.5Very high0 Ų074.8 Ų74.80%037%0.372CS..Hα-helixtrans-65-37.2177.500000112.4Y91 Y99 L121 V134 P135 T136 F142 A143 F150Y91-A139 HydrophobicContact CE1-CB 4.31Å; Y91-A139 WeakPolarHBondContact OH-CB 3.29Å; Y99-A139 HydrophobicContact CE2-CB 3.83Å; L121-A139 HydrophobicContact CD2-CB 4.36Å; V134-A139 HydrophobicContact CG1-CB 4.25Å; P135-A139 PolarHBondContact O-N 3.43Å; T136-A139 PolarHBondContact O-N 3.14Å; A139-F142 PolarHBondContact O-N 2.84Å; A139-A143 WeakPolarHBondContact O-CB 3.28Å; A139-A143 PolarHBondContact O-N 3.29Å; A139-F150 HydrophobicContact CB-CE2 3.74Å; A139-F150 HydrophobicContact CB-CZ 3.72Å
140R98.2Very high97.7Very high104 Ų10468.8 Ų68.839%0.39235%0.351SS..Hα-helixtrans-62.9-47173.6-171.7-177.9-62.1120.14.2111.4T136 D137 E138 F142 A143 E144 F150T136-R140 WeakPolarHBondContact O-CB 3.32Å; T136-R140 PolarHBondContact O-N 2.94Å; D137-R140 IonicContact OD1-CZ 3.7Å; D137-R140 IonicContact OD1-NH1 2.94Å; D137-R140 PolarHBondContact OD1-NH1 2.93Å; E138-R140 VanDerWaalsContact C-N 3.34Å; E138-R140 PolarHBondContact O-N 3.22Å; R140-F142 VanDerWaalsContact C-N 3.3Å; R140-F142 PolarHBondContact O-N 3.34Å; R140-A143 WeakPolarHBondContact O-CB 3.49Å; R140-A143 PolarHBondContact O-N 2.83Å; R140-A143 VanDerWaalsContact O-N 3.14Å; R140-E144 WeakPolarHBondContact O-CG 3.3Å; R140-E144 PolarHBondContact O-N 2.95Å; R140-F150 HydrophobicContact CB-CD1 3.87Å; R140-F150 HydrophobicContact CB-CE1 4.04Å; R140-F150 HydrophobicContact CG-CD1 4.19Å
141A98.3Very high97.8Very high53 Ų5362.3 Ų62.344%0.43832%0.321SS..Hα-helixtrans-61.9-38.7177.500000112D137 E138 K145D137-A141 VanDerWaalsContact O-CB 3.31Å; D137-A141 WeakPolarHBondContact O-CB 3.45Å; D137-A141 PolarHBondContact O-N 3.48Å; E138-A141 PolarHBondContact O-N 2.83Å; A141-K145 VanDerWaalsContact O-CB 3.26Å; A141-K145 WeakPolarHBondContact O-CB 3.5Å; A141-K145 PolarHBondContact O-N 2.84Å
142F98.5Very high97.9Very high37 Ų3758.9 Ų58.916%0.16230%0.303CS..Hα-helixtrans-62.7-43.9172.9176.5-84.7000112.1Y99 V102 L106 L121 E138 A139 R140 K145 N146 L148Y99-F142 VanDerWaalsContact OH-CB 3.28Å; Y99-F142 WeakPolarHBondContact OH-CB 3.41Å; V102-F142 HydrophobicContact CG1-CD1 4.3Å; V102-F142 HydrophobicContact CG1-CE1 3.46Å; V102-F142 VanDerWaalsContact CG1-CE1 3.46Å; V102-F142 HydrophobicContact CG1-CZ 3.77Å; L106-F142 HydrophobicContact CD2-CE1 4.43Å; L106-F142 HydrophobicContact CD2-CZ 4.22Å; L121-F142 HydrophobicContact CD2-CD1 4.02Å; E138-F142 PolarHBondContact O-N 3.2Å; A139-F142 PolarHBondContact O-N 2.84Å; R140-F142 VanDerWaalsContact C-N 3.3Å; R140-F142 PolarHBondContact O-N 3.34Å; F142-K145 PolarHBondContact O-N 2.93Å; F142-N146 WeakPolarHBondContact CE2-ND2 3.11Å; F142-N146 WeakPolarHBondContact CZ-ND2 3.23Å; F142-N146 WeakPolarHBondContact O-CB 3.18Å; F142-N146 PolarHBondContact O-N 3.23Å; F142-N146 VanDerWaalsContact O-N 3.11Å; F142-N146 PolarHBondContact O-ND2 2.99Å; F142-L148 HydrophobicContact CE1-CD1 4.06Å
143A98.4Very high97.9Very high1 Ų155.3 Ų55.31%0.00829%0.289CS..Hα-helixtrans-63-47.9178.800000111.6L121 A139 R140 K145 N146 N147 L148 F150L121-A143 HydrophobicContact CB-CB 4.4Å; L121-A143 HydrophobicContact CD2-CB 4.08Å; A139-A143 WeakPolarHBondContact O-CB 3.28Å; A139-A143 PolarHBondContact O-N 3.29Å; R140-A143 WeakPolarHBondContact O-CB 3.49Å; R140-A143 PolarHBondContact O-N 2.83Å; R140-A143 VanDerWaalsContact O-N 3.14Å; A143-K145 PolarHBondContact O-N 3.49Å; A143-N146 CarbonylContact O-C 3.46Å; A143-N146 PolarHBondContact O-N 3.31Å; A143-N146 VanDerWaalsContact O-N 3.13Å; A143-N147 PolarHBondContact O-N 3.42Å; A143-L148 HydrophobicContact CB-CB 4.14Å; A143-L148 PolarHBondContact O-N 2.85Å; A143-F150 HydrophobicContact CB-CB 3.7Å; A143-F150 HydrophobicContact CB-CG 4.35Å
144E97.7Very high97.9Very high131 Ų13153.3 Ų53.361%0.61227%0.273SS*.Hα-helixtrans-58.8-48.3176.1-72.3173.7-17400111.6R140 N146 N147R140-E144 WeakPolarHBondContact O-CG 3.3Å; R140-E144 PolarHBondContact O-N 2.95Å; E144-N146 PolarHBondContact O-N 3.33Å; E144-N146 VanDerWaalsContact O-N 3.16Å; E144-N147 PolarHBondContact O-N 2.84Å; E144-N147 VanDerWaalsContact O-N 3.13Å
145K97.9Very high97.9Very high176 Ų17653.5 Ų53.577%0.76527%0.274SS*.Hα-helixtrans-56.8-32.6177-179.4-178.6175.7-173.70112.7A141 F142 A143A141-K145 VanDerWaalsContact O-CB 3.26Å; A141-K145 WeakPolarHBondContact O-CB 3.5Å; A141-K145 PolarHBondContact O-N 2.84Å; F142-K145 PolarHBondContact O-N 2.93Å; A143-K145 PolarHBondContact O-N 3.49Å
146N97Very high97.9Very high30 Ų3054 Ų5416%0.1627%0.272CS..THydrogen-bonded Turntrans-100.45.6-177.2-75.4-76.9000114.1L106 R110 F142 A143 E144 L148L106-N146 HydrophobicContact CD2-CB 3.95Å; R110-N146 PolarHBondContact NH2-O 3.01Å; F142-N146 WeakPolarHBondContact CE2-ND2 3.11Å; F142-N146 WeakPolarHBondContact CZ-ND2 3.23Å; F142-N146 WeakPolarHBondContact O-CB 3.18Å; F142-N146 PolarHBondContact O-N 3.23Å; F142-N146 VanDerWaalsContact O-N 3.11Å; F142-N146 PolarHBondContact O-ND2 2.99Å; A143-N146 CarbonylContact O-C 3.46Å; A143-N146 PolarHBondContact O-N 3.31Å; A143-N146 VanDerWaalsContact O-N 3.13Å; E144-N146 PolarHBondContact O-N 3.33Å; E144-N146 VanDerWaalsContact O-N 3.16Å; N146-L148 HydrophobicContact CB-CD1 3.91Å; N146-L148 HydrophobicContact CB-CD2 4.19Å; N146-L148 HydrophobicContact CB-CG 3.74Å; N146-L148 WeakPolarHBondContact O-CD2 3.42Å
147N96.2Very high97.8Very high149 Ų14956 Ų5680%0.79728%0.282SS*.THydrogen-bonded Turntrans56.349.1-175-51.9-69.4000112.9A143 E144A143-N147 PolarHBondContact O-N 3.42Å; E144-N147 PolarHBondContact O-N 2.84Å; E144-N147 VanDerWaalsContact O-N 3.13Å
148L97.6Very high97.8Very high14 Ų1453.6 Ų53.67%0.07327%0.274CS..  trans-113.2143177.3-40.2176.8000109.5L106 I119 L121 F142 A143 N146L106-L148 HydrophobicContact CD1-CD1 4.4Å; L106-L148 HydrophobicContact CD1-CD2 3.96Å; L106-L148 HydrophobicContact CD2-CD1 4.21Å; I119-L148 HydrophobicContact CB-CD2 3.75Å; I119-L148 HydrophobicContact CD1-CD2 4.16Å; I119-L148 HydrophobicContact CG2-CD2 3.82Å; I119-L148 WeakPolarHBondContact O-CA 3.12Å; L121-L148 HydrophobicContact CB-CD1 4.36Å; F142-L148 HydrophobicContact CE1-CD1 4.06Å; A143-L148 HydrophobicContact CB-CB 4.14Å; A143-L148 PolarHBondContact O-N 2.85Å; N146-L148 HydrophobicContact CB-CD1 3.91Å; N146-L148 HydrophobicContact CB-CD2 4.19Å; N146-L148 HydrophobicContact CB-CG 3.74Å; N146-L148 WeakPolarHBondContact O-CD2 3.42Å
149S97.7Very high97.8Very high39 Ų3951.8 Ų51.827%0.27327%0.269SS..EExtended strand (participates in β ladder)trans-67.5149.4163.4-72.70000109.5I119 M120 L121 E171I119-S149 PolarHBondContact O-N 2.91Å; I119-S149 VanDerWaalsContact O-N 3.11Å; M120-S149 CarbonylContact C-O 3.49Å; M120-S149 WeakPolarHBondContact CA-O 3.37Å; L121-S149 PolarHBondContact N-O 3.06Å; S149-E171 PolarHBondContact OG-OE2 2.92Å
150F98.6Very high97.8Very high48 Ų4854.6 Ų54.621%0.21128%0.284CS..EExtended strand (participates in β ladder)trans-134.3137.1-178.2174.9-116000112.6Y91 L121 T136 A139 R140 A143 E152Y91-F150 HydrophobicContact CE1-CE2 4.24Å; L121-F150 HydrophobicContact CB-CD2 4.05Å; L121-F150 HydrophobicContact CD2-CD2 3.84Å; L121-F150 HydrophobicContact CD2-CE2 4.2Å; L121-F150 HydrophobicContact CG-CD2 3.94Å; L121-F150 HydrophobicContact CG-CE2 4.37Å; L121-F150 WeakPolarHBondContact O-CA 3.38Å; L121-F150 WeakPolarHBondContact O-CD2 3.31Å; T136-F150 HydrophobicContact CG2-CE1 3.85Å; T136-F150 HydrophobicContact CG2-CZ 4.24Å; A139-F150 HydrophobicContact CB-CE2 3.74Å; A139-F150 HydrophobicContact CB-CZ 3.72Å; R140-F150 HydrophobicContact CB-CD1 3.87Å; R140-F150 HydrophobicContact CB-CE1 4.04Å; R140-F150 HydrophobicContact CG-CD1 4.19Å; A143-F150 HydrophobicContact CB-CB 3.7Å; A143-F150 HydrophobicContact CB-CG 4.35Å; F150-E152 HydrophobicContact CE1-CG 4.33Å; F150-E152 HydrophobicContact CE2-CG 4.33Å; F150-E152 HydrophobicContact CZ-CG 3.68Å
151I98.6Very high97.8Very high15 Ų1549.8 Ų49.88%0.07727%0.266CS..EExtended strand (participates in β ladder)trans-151.1149172.6-164.1164.8000110.5M120 L121 V122 G123 T153 N160 E163 A164M120-I151 HydrophobicContact CG-CG2 4.28Å; M120-I151 HydrophobicContact SD-CG2 3.66Å; L121-I151 PolarHBondContact O-N 2.88Å; L121-I151 VanDerWaalsContact O-N 3.1Å; V122-I151 VanDerWaalsContact CA-O 3.32Å; V122-I151 WeakPolarHBondContact CA-O 3.44Å; V122-I151 HydrophobicContact CG2-CG2 4.14Å; G123-I151 PolarHBondContact N-O 3.2Å; I151-T153 HydrophobicContact CG2-CG2 4.16Å; I151-N160 HydrophobicContact CD1-CB 3.77Å; I151-N160 HydrophobicContact CG1-CB 4.01Å; I151-E163 HydrophobicContact CD1-CB 4.11Å; I151-E163 HydrophobicContact CD1-CG 3.82Å; I151-A164 HydrophobicContact CD1-CB 4.43Å; I151-A164 HydrophobicContact CG2-CB 3.72Å
152E98.7Very high97.8Very high27 Ų2750.3 Ų50.313%0.12626%0.259CS..EExtended strand (participates in β ladder)trans-102.4137.8168.1-66.7-170.4169.100110.3G123 R132 T136 F150 N160G123-E152 CarbonylContact O-C 3.59Å; G123-E152 WeakPolarHBondContact O-CA 3.38Å; G123-E152 WeakPolarHBondContact O-CB 3.38Å; R132-E152 IonicContact CZ-OE1 2.72Å; R132-E152 IonicContact CZ-OE2 3.58Å; R132-E152 IonicContact NH1-OE1 3.59Å; R132-E152 PolarHBondContact NH1-OE1 3.35Å; R132-E152 IonicContact NH1-OE2 3.37Å; R132-E152 IonicContact NH2-OE1 3.63Å; R132-E152 PolarHBondContact NH2-OE1 2.86Å; R132-E152 IonicContact NH2-OE2 3.46Å; R132-E152 PolarHBondContact NH2-OE2 2.82Å; T136-E152 WeakPolarHBondContact CB-OE1 3.34Å; T136-E152 HydrophobicContact CG2-CG 4.49Å; T136-E152 WeakPolarHBondContact CG2-OE1 3.39Å; T136-E152 PolarHBondContact OG1-OE1 3.44Å; F150-E152 HydrophobicContact CE1-CG 4.33Å; F150-E152 HydrophobicContact CE2-CG 4.33Å; F150-E152 HydrophobicContact CZ-CG 3.68Å; E152-N160 VanDerWaalsContact O-CB 3.25Å; E152-N160 WeakPolarHBondContact O-CB 3.46Å; E152-N160 PolarHBondContact O-ND2 3.1Å
153T98.7Very high97.7Very high0 Ų053.1 Ų53.10%027%0.273CS..EExtended strand (participates in β ladder)trans-129.5158.9-174.861.50000111.8V122 G123 N124 K125 S126 I151 T159 N160 A164V122-T153 HydrophobicContact CG1-CG2 3.69Å; V122-T153 VanDerWaalsContact CG1-OG1 3.27Å; V122-T153 WeakPolarHBondContact CG1-OG1 3.26Å; G123-T153 PolarHBondContact O-N 2.86Å; N124-T153 CarbonylContact C-O 3.33Å; N124-T153 VanDerWaalsContact C-O 3.31Å; N124-T153 VanDerWaalsContact CA-O 3.26Å; N124-T153 WeakPolarHBondContact CA-O 3.46Å; N124-T153 PolarHBondContact OD1-O 2.68Å; N124-T153 PolarHBondContact OD1-OG1 2.56Å; K125-T153 PolarHBondContact N-O 3.35Å; S126-T153 WeakPolarHBondContact CB-O 3.09Å; S126-T153 PolarHBondContact N-O 2.96Å; S126-T153 PolarHBondContact OG-O 3.45Å; I151-T153 HydrophobicContact CG2-CG2 4.16Å; T153-T159 CarbonylContact C-O 3.57Å; T153-T159 VanDerWaalsContact CA-O 3.31Å; T153-T159 WeakPolarHBondContact CA-O 2.93Å; T153-N160 HydrophobicContact CG2-CB 4.05Å; T153-A164 HydrophobicContact CG2-CB 3.97Å
154S98.4Very high97.7Very high0 Ų053.1 Ų53.10%027%0.273CS..  trans-130116.7160.5171.40000109.6S126 D127 L156 D157 S158 T159 V161S126-S154 WeakPolarHBondContact OG-CB 3.08Å; S126-S154 PolarHBondContact OG-N 2.92Å; D127-S154 VanDerWaalsContact CG-OG 3.32Å; D127-S154 VanDerWaalsContact OD1-CB 3.25Å; D127-S154 WeakPolarHBondContact OD1-CB 3.18Å; D127-S154 PolarHBondContact OD1-OG 2.87Å; S154-L156 PolarHBondContact O-N 3.21Å; S154-L156 PolarHBondContact OG-N 3.45Å; S154-D157 WeakPolarHBondContact CB-OD1 3.41Å; S154-D157 PolarHBondContact OG-N 2.88Å; S154-D157 PolarHBondContact OG-OD1 2.9Å; S154-S158 CarbonylContact O-C 3.31Å; S154-S158 WeakPolarHBondContact O-CA 3.32Å; S154-S158 PolarHBondContact O-N 3.22Å; S154-T159 PolarHBondContact N-O 3.09Å; S154-T159 PolarHBondContact O-N 3.36Å; S154-V161 WeakPolarHBondContact O-CG2 3.31Å
155A97.6Very high97.7Very high3 Ų347 Ų473%0.02525%0.245CC..THydrogen-bonded Turntrans-67.2-26.117100000112.3N26 L27 R30 F36 N124N26-A155 HydrophobicContact CB-CB 3.81Å; L27-A155 HydrophobicContact CD2-CB 4.04Å; L27-A155 HydrophobicContact CG-CB 4.29Å; R30-A155 PolarHBondContact NE-O 3.36Å; R30-A155 PolarHBondContact NH2-O 3.12Å; F36-A155 HydrophobicContact CD2-CB 4.02Å; F36-A155 WeakPolarHBondContact CD2-O 3.25Å; F36-A155 HydrophobicContact CE2-CB 4.17Å; N124-A155 PolarHBondContact OD1-N 3.25Å
156L96.7Very high97.7Very high77 Ų7742.8 Ų42.840%0.40323%0.226SC..THydrogen-bonded Turntrans-66.8-59.2-179.1177.968.4000110.5R30 F36 D127 S154R30-L156 PolarHBondContact NH2-O 3.19Å; R30-L156 VanDerWaalsContact NH2-O 3.09Å; F36-L156 HydrophobicContact CD1-CD1 3.73Å; F36-L156 HydrophobicContact CE1-CB 4.48Å; F36-L156 HydrophobicContact CE1-CD1 3.27Å; F36-L156 HydrophobicContact CE1-CG 4.47Å; F36-L156 HydrophobicContact CE2-CB 4.06Å; F36-L156 HydrophobicContact CE2-CD1 4.35Å; F36-L156 HydrophobicContact CG-CD1 4.43Å; F36-L156 HydrophobicContact CZ-CB 4.05Å; F36-L156 HydrophobicContact CZ-CD1 3.63Å; F36-L156 HydrophobicContact CZ-CG 4.44Å; D127-L156 HydrophobicContact CB-CD2 4.28Å; D127-L156 VanDerWaalsContact OD2-CD2 3.31Å; D127-L156 WeakPolarHBondContact OD2-CD2 3.15Å; S154-L156 PolarHBondContact O-N 3.21Å; S154-L156 PolarHBondContact OG-N 3.45Å
157D95.7Very high97.7Very high77 Ų7744.7 Ų44.741%0.41224%0.236SC..THydrogen-bonded Turntrans-95.33.1-176.572.320.6000113.9S154 T159S154-D157 WeakPolarHBondContact CB-OD1 3.41Å; S154-D157 PolarHBondContact OG-N 2.88Å; S154-D157 PolarHBondContact OG-OD1 2.9Å; D157-T159 VanDerWaalsContact C-N 3.27Å; D157-T159 VanDerWaalsContact CG-OG1 3.29Å; D157-T159 PolarHBondContact O-N 2.82Å; D157-T159 WeakPolarHBondContact OD1-CB 3.41Å; D157-T159 PolarHBondContact OD1-N 3.32Å; D157-T159 PolarHBondContact OD1-OG1 3.37Å; D157-T159 PolarHBondContact OD2-OG1 3.09Å
158S97.3Very high97.8Very high61 Ų6137.6 Ų37.643%0.42720%0.198SC..  trans71.13.2-178.874.40000116.7S154 N160 V161S154-S158 CarbonylContact O-C 3.31Å; S154-S158 WeakPolarHBondContact O-CA 3.32Å; S154-S158 PolarHBondContact O-N 3.22Å; S158-N160 PolarHBondContact O-N 2.75Å; S158-V161 PolarHBondContact O-N 3.3Å
159T98.4Very high97.7Very high46 Ų4637 Ų3728%0.28220%0.195SC..THydrogen-bonded Turntrans-53.2124.7179.4-62.90000111T153 S154 D157 V161T153-T159 CarbonylContact C-O 3.57Å; T153-T159 VanDerWaalsContact CA-O 3.31Å; T153-T159 WeakPolarHBondContact CA-O 2.93Å; S154-T159 PolarHBondContact N-O 3.09Å; S154-T159 PolarHBondContact O-N 3.36Å; D157-T159 VanDerWaalsContact C-N 3.27Å; D157-T159 VanDerWaalsContact CG-OG1 3.29Å; D157-T159 PolarHBondContact O-N 2.82Å; D157-T159 WeakPolarHBondContact OD1-CB 3.41Å; D157-T159 PolarHBondContact OD1-N 3.32Å; D157-T159 PolarHBondContact OD1-OG1 3.37Å; D157-T159 PolarHBondContact OD2-OG1 3.09Å; T159-V161 PolarHBondContact O-N 2.86Å
160N98.2Very high97.7Very high58 Ų5836.4 Ų36.431%0.3119%0.19SC..THydrogen-bonded Turntrans58.28.1175.3-61.5-9.6000116.3I151 E152 T153 S158 E163 A164I151-N160 HydrophobicContact CD1-CB 3.77Å; I151-N160 HydrophobicContact CG1-CB 4.01Å; E152-N160 VanDerWaalsContact O-CB 3.25Å; E152-N160 WeakPolarHBondContact O-CB 3.46Å; E152-N160 PolarHBondContact O-ND2 3.1Å; T153-N160 HydrophobicContact CG2-CB 4.05Å; S158-N160 PolarHBondContact O-N 2.75Å; N160-E163 PolarHBondContact O-N 2.89Å; N160-E163 PolarHBondContact OD1-OE2 3.33Å; N160-A164 WeakPolarHBondContact O-CB 3.44Å; N160-A164 PolarHBondContact O-N 3Å
161V98.2Very high97.6Very high3 Ų337.2 Ų37.22%0.01819%0.194CC..Hα-helixtrans-66.6-50.6-179.1179.60000110.8L27 R30 F31 S154 S158 T159 E163 A164 F165L27-V161 HydrophobicContact CD2-CB 4.49Å; L27-V161 HydrophobicContact CD2-CG1 4.14Å; L27-V161 HydrophobicContact CD2-CG2 3.73Å; R30-V161 HydrophobicContact CB-CG1 4.1Å; R30-V161 HydrophobicContact CG-CB 4.03Å; R30-V161 HydrophobicContact CG-CG1 3.81Å; R30-V161 HydrophobicContact CG-CG2 3.96Å; F31-V161 HydrophobicContact CB-CG1 4.08Å; S154-V161 WeakPolarHBondContact O-CG2 3.31Å; S158-V161 PolarHBondContact O-N 3.3Å; T159-V161 PolarHBondContact O-N 2.86Å; V161-E163 VanDerWaalsContact C-N 3.25Å; V161-E163 PolarHBondContact O-N 3.14Å; V161-A164 PolarHBondContact O-N 3.34Å; V161-F165 HydrophobicContact CG1-CD2 4.28Å; V161-F165 HydrophobicContact CG1-CE2 4.22Å; V161-F165 WeakPolarHBondContact O-CD2 3.41Å; V161-F165 PolarHBondContact O-N 3.12Å
162E97.2Very high97.4Very high65 Ų6536.6 Ų36.630%0.30419%0.191SC..Hα-helixtrans-58.9-40.8175.8-172.777.2177.500111.2R51 K166R51-E162 IonicContact CZ-OE1 3.39Å; R51-E162 IonicContact CZ-OE2 3.4Å; R51-E162 IonicContact NH1-OE1 2.67Å; R51-E162 IonicContact NH1-OE2 2.69Å; R51-E162 PolarHBondContact NH1-OE2 3.07Å; R51-E162 IonicContact NH2-OE1 3.19Å; R51-E162 PolarHBondContact NH2-OE1 2.8Å; R51-E162 IonicContact NH2-OE2 3.57Å; R51-E162 PolarHBondContact NH2-OE2 3.25Å; E162-K166 HydrophobicContact CG-CD 3.99Å; E162-K166 HydrophobicContact CG-CG 4.5Å; E162-K166 WeakPolarHBondContact O-CB 3.46Å; E162-K166 WeakPolarHBondContact O-CG 3.43Å; E162-K166 PolarHBondContact O-N 3.1Å; E162-K166 WeakPolarHBondContact OE1-CE 3.48Å; E162-K166 IonicContact OE1-NZ 3.13Å; E162-K166 PolarHBondContact OE1-NZ 3Å; E162-K166 VanDerWaalsContact OE1-NZ 3.13Å
163E97.8Very high97.3Very high95 Ų9536.5 Ų36.544%0.44419%0.19SC..Hα-helixtrans-66.4-44.3-178.6-174.2174.8178.200111.8I151 N160 V161 F165 K166 N167I151-E163 HydrophobicContact CD1-CB 4.11Å; I151-E163 HydrophobicContact CD1-CG 3.82Å; N160-E163 PolarHBondContact O-N 2.89Å; N160-E163 PolarHBondContact OD1-OE2 3.33Å; V161-E163 VanDerWaalsContact C-N 3.25Å; V161-E163 PolarHBondContact O-N 3.14Å; E163-F165 PolarHBondContact O-N 3.37Å; E163-K166 PolarHBondContact O-N 3.43Å; E163-N167 WeakPolarHBondContact CG-ND2 3.33Å; E163-N167 WeakPolarHBondContact O-CB 3.49Å; E163-N167 PolarHBondContact O-N 2.89Å; E163-N167 PolarHBondContact O-OD1 3.12Å
164A98.3Very high97.1Very high2 Ų243.5 Ų43.52%0.01722%0.216CC..Hα-helixtrans-56.4-49.6177.600000111.7M120 I151 T153 N160 V161 I168M120-A164 HydrophobicContact SD-CB 4.11Å; I151-A164 HydrophobicContact CD1-CB 4.43Å; I151-A164 HydrophobicContact CG2-CB 3.72Å; T153-A164 HydrophobicContact CG2-CB 3.97Å; N160-A164 WeakPolarHBondContact O-CB 3.44Å; N160-A164 PolarHBondContact O-N 3Å; V161-A164 PolarHBondContact O-N 3.34Å; A164-I168 PolarHBondContact O-N 3.46Å
165F97.6Very high96.8Very high3 Ų346.3 Ų46.31%0.01323%0.23CC..Hα-helixtrans-69.1-39.7178.8-76.6-78.7000112.6L16 F31 I64 L88 V161 E163 I168 L169L16-F165 HydrophobicContact CD2-CE1 4.05Å; L16-F165 HydrophobicContact CD2-CZ 4.01Å; F31-F165 HydrophobicContact CB-CD2 3.54Å; F31-F165 HydrophobicContact CB-CE2 3.48Å; F31-F165 VanDerWaalsContact CB-CE2 3.48Å; F31-F165 HydrophobicContact CB-CG 4.31Å; F31-F165 HydrophobicContact CB-CZ 4.21Å; F31-F165 HydrophobicContact CD1-CB 4.23Å; F31-F165 AromaticContact CD1-CD1 3.98Å; F31-F165 HydrophobicContact CD1-CD1 3.98Å; F31-F165 AromaticContact CD1-CD2 3.89Å; F31-F165 HydrophobicContact CD1-CD2 3.89Å; F31-F165 HydrophobicContact CD1-CE1 4.3Å; F31-F165 HydrophobicContact CD1-CE2 4.21Å; F31-F165 AromaticContact CD1-CG 3.77Å; F31-F165 HydrophobicContact CD1-CG 3.77Å; F31-F165 HydrophobicContact CD1-CZ 4.41Å; F31-F165 HydrophobicContact CD2-CB 3.63Å; F31-F165 AromaticContact CD2-CD2 3.49Å; F31-F165 HydrophobicContact CD2-CD2 3.49Å; F31-F165 VanDerWaalsContact CD2-CD2 3.49Å; F31-F165 HydrophobicContact CD2-CE2 4.34Å; F31-F165 AromaticContact CD2-CG 3.7Å; F31-F165 HydrophobicContact CD2-CG 3.7Å; F31-F165 HydrophobicContact CE1-CB 3.97Å; F31-F165 HydrophobicContact CE1-CD1 4.09Å; F31-F165 HydrophobicContact CE1-CD2 4.47Å; F31-F165 AromaticContact CE1-CG 3.93Å; F31-F165 HydrophobicContact CE1-CG 3.93Å; F31-F165 HydrophobicContact CE2-CB 3.34Å; F31-F165 HydrophobicContact CE2-CD2 4.15Å; F31-F165 AromaticContact CE2-CG 3.89Å; F31-F165 HydrophobicContact CE2-CG 3.89Å; F31-F165 HydrophobicContact CG-CB 4.08Å; F31-F165 HydrophobicContact CG-CD1 4.29Å; F31-F165 AromaticContact CG-CD2 3.34Å; F31-F165 HydrophobicContact CG-CD2 3.34Å; F31-F165 AromaticContact CG-CE2 3.77Å; F31-F165 HydrophobicContact CG-CE2 3.77Å; F31-F165 AromaticContact CG-CG 3.65Å; F31-F165 HydrophobicContact CG-CG 3.65Å; F31-F165 HydrophobicContact CG-CZ 4.4Å; F31-F165 HydrophobicContact CZ-CB 3.53Å; F31-F165 HydrophobicContact CZ-CD1 4.5Å; F31-F165 AromaticContact CZ-CG 4Å; F31-F165 HydrophobicContact CZ-CG 4Å; I64-F165 HydrophobicContact CD1-CD1 3.84Å; I64-F165 HydrophobicContact CD1-CE1 3.61Å; I64-F165 HydrophobicContact CD1-CZ 4.4Å; I64-F165 HydrophobicContact CG1-CE1 4.22Å; I64-F165 HydrophobicContact CG2-CE1 4.02Å; L88-F165 HydrophobicContact CD1-CD1 4.41Å; L88-F165 HydrophobicContact CD1-CE1 4.19Å; L88-F165 HydrophobicContact CD2-CD1 4.24Å; L88-F165 HydrophobicContact CD2-CE1 3.86Å; L88-F165 HydrophobicContact CD2-CE2 4.23Å; L88-F165 HydrophobicContact CD2-CZ 3.86Å; V161-F165 HydrophobicContact CG1-CD2 4.28Å; V161-F165 HydrophobicContact CG1-CE2 4.22Å; V161-F165 WeakPolarHBondContact O-CD2 3.41Å; V161-F165 PolarHBondContact O-N 3.12Å; E163-F165 PolarHBondContact O-N 3.37Å; F165-I168 WeakPolarHBondContact O-CG2 3.34Å; F165-L169 VanDerWaalsContact O-CB 3.29Å; F165-L169 WeakPolarHBondContact O-CB 3.47Å; F165-L169 VanDerWaalsContact O-CD1 3.31Å; F165-L169 WeakPolarHBondContact O-CD1 3.37Å; F165-L169 WeakPolarHBondContact O-CG 3.34Å; F165-L169 PolarHBondContact O-N 2.77Å; F165-L169 VanDerWaalsContact O-N 3.08Å
166K96.8Very high96.6Very high87 Ų8747.9 Ų47.938%0.37824%0.24SC..Hα-helixtrans-64.7-42.7175.8-79.3-178.7178.1165.90112.2I53 E162 E163 L169 T170I53-K166 HydrophobicContact CD1-CG 4.21Å; E162-K166 HydrophobicContact CG-CD 3.99Å; E162-K166 HydrophobicContact CG-CG 4.5Å; E162-K166 WeakPolarHBondContact O-CB 3.46Å; E162-K166 WeakPolarHBondContact O-CG 3.43Å; E162-K166 PolarHBondContact O-N 3.1Å; E162-K166 WeakPolarHBondContact OE1-CE 3.48Å; E162-K166 IonicContact OE1-NZ 3.13Å; E162-K166 PolarHBondContact OE1-NZ 3Å; E162-K166 VanDerWaalsContact OE1-NZ 3.13Å; E163-K166 PolarHBondContact O-N 3.43Å; K166-L169 PolarHBondContact O-N 3.09Å; K166-T170 VanDerWaalsContact O-CB 3.23Å; K166-T170 WeakPolarHBondContact O-CB 3.19Å; K166-T170 PolarHBondContact O-N 2.99Å; K166-T170 PolarHBondContact O-OG1 3.35Å
167N97.4Very high96.3Very high70 Ų7045.1 Ų45.137%0.37423%0.227SC..Hα-helixtrans-62.5-49.7-178.4-73.8-2.4000110.7M120 E163 L169 T170 E171M120-N167 HydrophobicContact CE-CB 3.65Å; E163-N167 WeakPolarHBondContact CG-ND2 3.33Å; E163-N167 WeakPolarHBondContact O-CB 3.49Å; E163-N167 PolarHBondContact O-N 2.89Å; E163-N167 PolarHBondContact O-OD1 3.12Å; N167-L169 PolarHBondContact O-N 2.98Å; N167-T170 PolarHBondContact O-N 3.26Å; N167-E171 WeakPolarHBondContact O-CB 3.31Å; N167-E171 PolarHBondContact O-N 3.11Å
168I97.4Very high95.9Very high0 Ų047.9 Ų47.90%024%0.237CC..Hα-helixtrans-65.6-40.8178.9-161.6179.1000112A87 L88 V118 M120 A164 F165 T170 E171 I172A87-I168 WeakPolarHBondContact O-CD1 3.41Å; L88-I168 HydrophobicContact CD1-CD1 3.73Å; L88-I168 HydrophobicContact CD1-CG2 4.02Å; L88-I168 HydrophobicContact CG-CD1 4.45Å; V118-I168 HydrophobicContact CB-CG1 4.48Å; V118-I168 HydrophobicContact CG1-CG1 3.89Å; M120-I168 HydrophobicContact CB-CD1 4.09Å; M120-I168 HydrophobicContact CB-CG1 4.47Å; M120-I168 HydrophobicContact CE-CB 3.97Å; A164-I168 PolarHBondContact O-N 3.46Å; F165-I168 WeakPolarHBondContact O-CG2 3.34Å; I168-T170 VanDerWaalsContact C-N 3.33Å; I168-T170 PolarHBondContact O-N 3.46Å; I168-E171 PolarHBondContact O-N 2.81Å; I168-I172 HydrophobicContact CG1-CD1 4.1Å; I168-I172 WeakPolarHBondContact O-CD1 3.41Å; I168-I172 WeakPolarHBondContact O-CG1 3.14Å; I168-I172 PolarHBondContact O-N 2.86Å
169L97.3Very high95.5Very high1 Ų149.4 Ų49.41%0.00524%0.236CC..Hα-helixtrans-67-35.9178.6-69.9168.5000111.9F12 V14 I53 I60 A62 F165 K166 N167 Y173F12-L169 HydrophobicContact CB-CD2 4.07Å; F12-L169 HydrophobicContact CD2-CD2 3.98Å; V14-L169 HydrophobicContact CG2-CD2 3.98Å; I53-L169 HydrophobicContact CD1-CB 3.74Å; I53-L169 HydrophobicContact CD1-CD1 3.42Å; I53-L169 VanDerWaalsContact CD1-CD1 3.42Å; I53-L169 HydrophobicContact CD1-CG 4.22Å; I53-L169 HydrophobicContact CG1-CD1 3.97Å; I60-L169 HydrophobicContact CG2-CD2 4.26Å; A62-L169 HydrophobicContact CB-CD1 3.74Å; A62-L169 HydrophobicContact CB-CD2 3.77Å; A62-L169 HydrophobicContact CB-CG 4.42Å; F165-L169 VanDerWaalsContact O-CB 3.29Å; F165-L169 WeakPolarHBondContact O-CB 3.47Å; F165-L169 VanDerWaalsContact O-CD1 3.31Å; F165-L169 WeakPolarHBondContact O-CD1 3.37Å; F165-L169 WeakPolarHBondContact O-CG 3.34Å; F165-L169 PolarHBondContact O-N 2.77Å; F165-L169 VanDerWaalsContact O-N 3.08Å; K166-L169 PolarHBondContact O-N 3.09Å; N167-L169 PolarHBondContact O-N 2.98Å; L169-Y173 VanDerWaalsContact O-CB 3.28Å; L169-Y173 WeakPolarHBondContact O-CB 3.24Å; L169-Y173 PolarHBondContact O-N 3.12Å
170T96.6Very high94.8Very high26 Ų2650.6 Ų50.616%0.1624%0.239CC..Hα-helixtrans-68.6-40.6174.8-57.80000111.2V55 K166 N167 I168 Y173 R174V55-T170 HydrophobicContact CG1-CG2 3.94Å; K166-T170 VanDerWaalsContact O-CB 3.23Å; K166-T170 WeakPolarHBondContact O-CB 3.19Å; K166-T170 PolarHBondContact O-N 2.99Å; K166-T170 PolarHBondContact O-OG1 3.35Å; N167-T170 PolarHBondContact O-N 3.26Å; I168-T170 VanDerWaalsContact C-N 3.33Å; I168-T170 PolarHBondContact O-N 3.46Å; T170-Y173 WeakPolarHBondContact O-CB 3.35Å; T170-Y173 PolarHBondContact O-N 3.04Å; T170-R174 WeakPolarHBondContact O-CG 3.36Å; T170-R174 PolarHBondContact O-N 3.02Å
171E96Very high93.9Very high65 Ų6553.3 Ų53.330%0.30425%0.252SS..Hα-helixtrans-63.1-46.9176.2-172.6174.8176.900111.4V118 S149 N167 I168 Y173 R174 I175V118-E171 HydrophobicContact CG1-CB 4.12Å; V118-E171 HydrophobicContact CG1-CG 3.73Å; V118-E171 WeakPolarHBondContact CG1-OE2 3.44Å; V118-E171 HydrophobicContact CG2-CG 4.4Å; S149-E171 PolarHBondContact OG-OE2 2.92Å; N167-E171 WeakPolarHBondContact O-CB 3.31Å; N167-E171 PolarHBondContact O-N 3.11Å; I168-E171 PolarHBondContact O-N 2.81Å; E171-Y173 VanDerWaalsContact C-N 3.33Å; E171-Y173 PolarHBondContact O-N 2.74Å; E171-R174 PolarHBondContact O-N 3Å; E171-I175 HydrophobicContact CG-CD1 4.48Å; E171-I175 WeakPolarHBondContact O-CG1 3.25Å; E171-I175 PolarHBondContact O-N 2.94Å; E171-I175 VanDerWaalsContact O-N 3.13Å
172I96.3Very high93.2Very high2 Ų255.9 Ų55.91%0.0127%0.274CS..Hα-helixtrans-59-46.1173.4-63.9159.6000110.5F12 V14 V85 V118 I168 R174 I175 V176F12-I172 HydrophobicContact CD1-CG2 3.86Å; F12-I172 HydrophobicContact CD2-CB 4.13Å; F12-I172 HydrophobicContact CD2-CG2 3.67Å; F12-I172 HydrophobicContact CE1-CG2 3.87Å; F12-I172 HydrophobicContact CE2-CB 4.11Å; F12-I172 HydrophobicContact CE2-CG2 3.68Å; F12-I172 HydrophobicContact CG-CG2 3.79Å; F12-I172 HydrophobicContact CZ-CG2 3.8Å; V14-I172 HydrophobicContact CG2-CD1 4.19Å; V85-I172 HydrophobicContact CB-CG2 4.09Å; V85-I172 HydrophobicContact CG2-CD1 4.29Å; V85-I172 HydrophobicContact CG2-CG2 3.82Å; V118-I172 HydrophobicContact CB-CG1 3.75Å; V118-I172 HydrophobicContact CG1-CG1 4.34Å; V118-I172 HydrophobicContact CG2-CG1 3.66Å; I168-I172 HydrophobicContact CG1-CD1 4.1Å; I168-I172 WeakPolarHBondContact O-CD1 3.41Å; I168-I172 WeakPolarHBondContact O-CG1 3.14Å; I168-I172 PolarHBondContact O-N 2.86Å; I172-R174 VanDerWaalsContact C-N 3.33Å; I172-R174 PolarHBondContact O-N 3.36Å; I172-I175 PolarHBondContact O-N 2.78Å; I172-V176 HydrophobicContact CG2-CG2 4.08Å; I172-V176 WeakPolarHBondContact O-CB 2.92Å; I172-V176 VanDerWaalsContact O-CG2 3.32Å; I172-V176 WeakPolarHBondContact O-CG2 3.27Å; I172-V176 PolarHBondContact O-N 2.75Å
173Y96Very high92.6Very high26 Ų2657.5 Ų57.510%0.10228%0.284CS..Hα-helixtrans-57.6-43.8177.9171.1-107.3000112.3Y10 V55 D56 K58 I60 L169 T170 E171 I175 V176 S177Y10-Y173 HydrophobicContact CD2-CD2 4.04Å; Y10-Y173 HydrophobicContact CD2-CE2 4.03Å; Y10-Y173 AromaticContact CE2-CD2 3.9Å; Y10-Y173 HydrophobicContact CE2-CD2 3.9Å; Y10-Y173 AromaticContact CE2-CE2 3.47Å; Y10-Y173 HydrophobicContact CE2-CE2 3.47Å; Y10-Y173 VanDerWaalsContact CE2-CE2 3.47Å; Y10-Y173 AromaticContact CZ-CE2 3.82Å; V55-Y173 HydrophobicContact CG1-CD1 3.62Å; V55-Y173 HydrophobicContact CG1-CE1 4.15Å; V55-Y173 HydrophobicContact CG1-CG 4.16Å; D56-Y173 HydrophobicContact CB-CE1 3.92Å; K58-Y173 HydrophobicContact CB-CE2 4.13Å; K58-Y173 HydrophobicContact CG-CE2 3.99Å; I60-Y173 HydrophobicContact CD1-CD2 4.2Å; I60-Y173 HydrophobicContact CD1-CG 4.07Å; L169-Y173 VanDerWaalsContact O-CB 3.28Å; L169-Y173 WeakPolarHBondContact O-CB 3.24Å; L169-Y173 PolarHBondContact O-N 3.12Å; T170-Y173 WeakPolarHBondContact O-CB 3.35Å; T170-Y173 PolarHBondContact O-N 3.04Å; E171-Y173 VanDerWaalsContact C-N 3.33Å; E171-Y173 PolarHBondContact O-N 2.74Å; Y173-I175 PolarHBondContact O-N 3.33Å; Y173-V176 PolarHBondContact O-N 3.23Å; Y173-S177 WeakPolarHBondContact O-CB 3.39Å; Y173-S177 PolarHBondContact O-N 3.19Å; Y173-S177 PolarHBondContact O-OG 2.88Å
174R94.4Very high91.8Very high147 Ų14761.2 Ų61.256%0.55529%0.294SS*.Hα-helixtrans-61.3-44177.2-73.6172.3-177.8173.32.7111.7T170 E171 I172 S177 Q178T170-R174 WeakPolarHBondContact O-CG 3.36Å; T170-R174 PolarHBondContact O-N 3.02Å; E171-R174 PolarHBondContact O-N 3Å; I172-R174 VanDerWaalsContact C-N 3.33Å; I172-R174 PolarHBondContact O-N 3.36Å; R174-S177 PolarHBondContact O-OG 3.07Å; R174-S177 VanDerWaalsContact O-OG 3.13Å; R174-Q178 WeakPolarHBondContact O-CB 3.35Å; R174-Q178 WeakPolarHBondContact O-CG 3.24Å; R174-Q178 PolarHBondContact O-N 2.69Å; R174-Q178 VanDerWaalsContact O-N 3.11Å
175I92.8Very high90.8Very high58 Ų5863.3 Ų63.330%0.29731%0.312SS..Hα-helixtrans-66.8-45.5179.5-65.7167.9000110.7V118 E171 I172 Y173 K179V118-I175 HydrophobicContact CG2-CD1 3.47Å; V118-I175 VanDerWaalsContact CG2-CD1 3.47Å; E171-I175 HydrophobicContact CG-CD1 4.48Å; E171-I175 WeakPolarHBondContact O-CG1 3.25Å; E171-I175 PolarHBondContact O-N 2.94Å; E171-I175 VanDerWaalsContact O-N 3.13Å; I172-I175 PolarHBondContact O-N 2.78Å; Y173-I175 PolarHBondContact O-N 3.33Å; I175-K179 HydrophobicContact CG2-CD 4.37Å; I175-K179 WeakPolarHBondContact O-CG 3.42Å; I175-K179 PolarHBondContact O-N 3.45Å; I175-K179 VanDerWaalsContact O-N 3.12Å
176V91.4Very high89.8Confident37 Ų3766 Ų6622%0.22434%0.335CS..Hα-helixtrans-70.3-41.9-177.9174.90000111.6Y10 F12 I172 Y173 K179 Q180Y10-V176 HydrophobicContact CD1-CG1 4.1Å; Y10-V176 HydrophobicContact CE1-CG1 3.95Å; F12-V176 HydrophobicContact CE1-CB 4.4Å; F12-V176 HydrophobicContact CE1-CG1 4.4Å; F12-V176 HydrophobicContact CE1-CG2 4.11Å; F12-V176 HydrophobicContact CZ-CB 4.39Å; F12-V176 HydrophobicContact CZ-CG2 4.39Å; I172-V176 HydrophobicContact CG2-CG2 4.08Å; I172-V176 WeakPolarHBondContact O-CB 2.92Å; I172-V176 VanDerWaalsContact O-CG2 3.32Å; I172-V176 WeakPolarHBondContact O-CG2 3.27Å; I172-V176 PolarHBondContact O-N 2.75Å; Y173-V176 PolarHBondContact O-N 3.23Å; V176-K179 PolarHBondContact O-N 2.95Å; V176-Q180 WeakPolarHBondContact O-CG 3.06Å; V176-Q180 PolarHBondContact O-N 3.27Å
177S90.3Very high88.7Confident19 Ų1969 Ų6913%0.13335%0.35CS..Hα-helixtrans-65.4-39.9178.358.10000112Y173 R174 Q180 I181Y173-S177 WeakPolarHBondContact O-CB 3.39Å; Y173-S177 PolarHBondContact O-N 3.19Å; Y173-S177 PolarHBondContact O-OG 2.88Å; R174-S177 PolarHBondContact O-OG 3.07Å; R174-S177 VanDerWaalsContact O-OG 3.13Å; S177-Q180 PolarHBondContact O-N 3.32Å; S177-I181 VanDerWaalsContact O-CG1 3.28Å; S177-I181 WeakPolarHBondContact O-CG1 3.33Å; S177-I181 PolarHBondContact O-N 2.95Å
178Q89.3Confident87.4Confident134 Ų13472.5 Ų72.563%0.62637%0.369SS*.Hα-helixtrans-62.9-43173.7-74.7176.11.500112.3R174 I181 A182R174-Q178 WeakPolarHBondContact O-CB 3.35Å; R174-Q178 WeakPolarHBondContact O-CG 3.24Å; R174-Q178 PolarHBondContact O-N 2.69Å; R174-Q178 VanDerWaalsContact O-N 3.11Å; Q178-I181 PolarHBondContact O-N 2.82Å; Q178-A182 PolarHBondContact O-N 3.33Å
179K87.7Confident85.6Confident93 Ų9380.4 Ų80.440%0.40441%0.406SS..Hα-helixtrans-61.3-44.6174.7-74.3179.3178.3-1760111.7I175 V176 I181 A182 D183I175-K179 HydrophobicContact CG2-CD 4.37Å; I175-K179 WeakPolarHBondContact O-CG 3.42Å; I175-K179 PolarHBondContact O-N 3.45Å; I175-K179 VanDerWaalsContact O-N 3.12Å; V176-K179 PolarHBondContact O-N 2.95Å; K179-I181 VanDerWaalsContact C-N 3.3Å; K179-I181 PolarHBondContact O-N 3.04Å; K179-A182 PolarHBondContact O-N 2.88Å; K179-A182 VanDerWaalsContact O-N 3.16Å; K179-D183 WeakPolarHBondContact O-CB 3.4Å; K179-D183 VanDerWaalsContact O-CG 3.23Å; K179-D183 PolarHBondContact O-N 3.06Å
180Q83.3Confident83.2Confident71 Ų7184.2 Ų84.233%0.33243%0.432SS..Hα-helixtrans-62.3-34.7177-75.1-179.2-10.500113.3Y10 V176 S177 R184Y10-Q180 PolarHBondContact OH-OE1 2.95Å; V176-Q180 WeakPolarHBondContact O-CG 3.06Å; V176-Q180 PolarHBondContact O-N 3.27Å; S177-Q180 PolarHBondContact O-N 3.32Å; Q180-R184 WeakPolarHBondContact O-CB 3.42Å; Q180-R184 VanDerWaalsContact O-CG 3.26Å; Q180-R184 WeakPolarHBondContact O-CG 3.44Å; Q180-R184 PolarHBondContact O-N 3.41Å; Q180-R184 VanDerWaalsContact O-N 3.09Å
181I80.1Confident80.9Confident116 Ų11688.3 Ų88.360%0.59546%0.459SS*.Hα-helixtrans-68-44.2174.8-67.4163.2000110.3S177 Q178 K179 R184 A185S177-I181 VanDerWaalsContact O-CG1 3.28Å; S177-I181 WeakPolarHBondContact O-CG1 3.33Å; S177-I181 PolarHBondContact O-N 2.95Å; Q178-I181 PolarHBondContact O-N 2.82Å; K179-I181 VanDerWaalsContact C-N 3.3Å; K179-I181 PolarHBondContact O-N 3.04Å; I181-R184 PolarHBondContact O-N 3.22Å; I181-A185 PolarHBondContact O-N 2.6Å
182A84.1Confident78.4Confident57 Ų5789 Ų8947%0.47148%0.484SS..Hα-helixtrans-63.5-42.7177.300000112.2Q178 K179 R184 A185 A186Q178-A182 PolarHBondContact O-N 3.33Å; K179-A182 PolarHBondContact O-N 2.88Å; K179-A182 VanDerWaalsContact O-N 3.16Å; A182-R184 PolarHBondContact O-N 3.28Å; A182-A185 PolarHBondContact O-N 3.29Å; A182-A186 PolarHBondContact O-N 2.9Å
183D84.5Confident76.1Confident99 Ų9995.9 Ų95.953%0.52952%0.521SS..Hα-helixtrans-65-39.1178.2-67.6-22.5000111.6K179 A186 H187K179-D183 WeakPolarHBondContact O-CB 3.4Å; K179-D183 VanDerWaalsContact O-CG 3.23Å; K179-D183 PolarHBondContact O-N 3.06Å; D183-A186 PolarHBondContact O-N 3.15Å; D183-H187 PolarHBondContact O-CD2 2.92Å; D183-H187 VanDerWaalsContact O-CD2 3.25Å; D183-H187 PolarHBondContact O-N 2.77Å
184R80.5Confident74Confident172 Ų172101.6 Ų101.665%0.64955%0.553SS**Hα-helixtrans-64.1-43.2174.3-76.3176.1-177.5-1772112Q180 I181 A182 A186 H187 D188Q180-R184 WeakPolarHBondContact O-CB 3.42Å; Q180-R184 VanDerWaalsContact O-CG 3.26Å; Q180-R184 WeakPolarHBondContact O-CG 3.44Å; Q180-R184 PolarHBondContact O-N 3.41Å; Q180-R184 VanDerWaalsContact O-N 3.09Å; I181-R184 PolarHBondContact O-N 3.22Å; A182-R184 PolarHBondContact O-N 3.28Å; R184-A186 VanDerWaalsContact C-N 3.32Å; R184-A186 PolarHBondContact O-N 3.25Å; R184-H187 PolarHBondContact O-N 2.96Å; R184-D188 PolarHBondContact O-N 2.92Å
185A77.1Confident71.9Confident47 Ų47100.7 Ų100.739%0.38856%0.563SS.*Hα-helixtrans-61.6-40.6175.800000111.8I181 A182 H187 D188 E189I181-A185 PolarHBondContact O-N 2.6Å; A182-A185 PolarHBondContact O-N 3.29Å; A185-H187 VanDerWaalsContact C-N 3.33Å; A185-H187 PolarHBondContact O-N 3.08Å; A185-D188 PolarHBondContact O-N 3.41Å; A185-E189 WeakPolarHBondContact O-CB 3.39Å; A185-E189 WeakPolarHBondContact O-CG 3.28Å; A185-E189 PolarHBondContact O-N 2.84Å
186A77.2Confident70.2Confident60 Ų60103.6 Ų103.650%0.49658%0.584SS.*Hα-helixtrans-66.7-32.9176.100000113.1A182 D183 R184 S190A182-A186 PolarHBondContact O-N 2.9Å; D183-A186 PolarHBondContact O-N 3.15Å; R184-A186 VanDerWaalsContact C-N 3.32Å; R184-A186 PolarHBondContact O-N 3.25Å; A186-S190 PolarHBondContact O-N 3.21Å; A186-S190 PolarHBondContact O-OG 3.04Å
187H73.2Confident68.4Low149 Ų149108.6 Ų108.669%0.6961%0.609SS**Hα-helixtrans-71.5-38.5173.1-87.3-67.2000112.7D183 R184 A185D183-H187 PolarHBondContact O-CD2 2.92Å; D183-H187 VanDerWaalsContact O-CD2 3.25Å; D183-H187 PolarHBondContact O-N 2.77Å; R184-H187 PolarHBondContact O-N 2.96Å; A185-H187 VanDerWaalsContact C-N 3.33Å; A185-H187 PolarHBondContact O-N 3.08Å
188D69.9Low66.9Low144 Ų144114.9 Ų114.977%0.7764%0.639SS**Hα-helixtrans-75.7-27.9178.2-74-24.4000112.8R184 A185 S190R184-D188 PolarHBondContact O-N 2.92Å; A185-D188 PolarHBondContact O-N 3.41Å; D188-S190 VanDerWaalsContact C-N 3.35Å
189E59.9Low65.2Low166 Ų166113.5 Ų113.578%0.77665%0.645SS**THydrogen-bonded Turntrans-86.21.9176.3-72.6-161.8133.200114.4A185 P191A185-E189 WeakPolarHBondContact O-CB 3.39Å; A185-E189 WeakPolarHBondContact O-CG 3.28Å; A185-E189 PolarHBondContact O-N 2.84Å; E189-P191 WeakPolarHBondContact O-CD 3.47Å
190S47.8Very low63.8Low81 Ų81114.9 Ų114.957%0.56666%0.661SS**SBendtrans-68.8110.6169.4-74.20000109.4A186 D188 G192A186-S190 PolarHBondContact O-N 3.21Å; A186-S190 PolarHBondContact O-OG 3.04Å; D188-S190 VanDerWaalsContact C-N 3.35Å; S190-G192 PolarHBondContact O-N 3.24Å
191P47.3Very low62.8Low112 Ų112116.4 Ų116.473%0.72768%0.677SS**  trans-63.5134.5177.6-7.222.3000107.5E189 N193E189-P191 WeakPolarHBondContact O-CD 3.47Å; P191-N193 VanDerWaalsContact C-N 3.33Å; P191-N193 PolarHBondContact O-N 3.23Å
192G44.3Very low61.4Low79 Ų79116.4 Ų116.481%0.81468%0.684SS**  trans-44.299.6170.700000109.8S190 N194S190-G192 PolarHBondContact O-N 3.24Å; G192-N194 PolarHBondContact O-N 2.92Å
193N47.6Very low59.9Low147 Ų147120.4 Ų120.479%0.78670%0.703SS**  trans-76.1101.4-173.5-148.112.5000105.4P191 V195P191-N193 VanDerWaalsContact C-N 3.33Å; P191-N193 PolarHBondContact O-N 3.23Å; N193-V195 PolarHBondContact O-N 3.19Å
194N50.9Low58.4Low145 Ų145122 Ų12278%0.77572%0.717SS**  trans-7.184170-65-42.7000114.2G192 V196G192-N194 PolarHBondContact O-N 2.92Å; N194-V196 VanDerWaalsContact C-N 3.31Å; N194-V196 PolarHBondContact O-N 3.35Å; N194-V196 VanDerWaalsContact O-N 3.13Å
195V51.6Low56.6Low129 Ų129122.2 Ų122.278%0.78273%0.731SS**  trans-78.495.1160.6-178.60000104.7N193 D197N193-V195 PolarHBondContact O-N 3.19Å; V195-D197 PolarHBondContact O-N 3.16Å
196V56.9Low55.1Low119 Ų119123 Ų12372%0.72174%0.744SS**  trans-65.9112.6163.2-1780000105.7N194 I198N194-V196 VanDerWaalsContact C-N 3.31Å; N194-V196 PolarHBondContact O-N 3.35Å; N194-V196 VanDerWaalsContact O-N 3.13Å; V196-I198 PolarHBondContact O-N 3.31Å
197D53.9Low53.7Low142 Ų142129.2 Ų129.276%0.75976%0.762SS**  trans-55.3110.5170.6-88.7-37.9000108.7V195 S199V195-D197 PolarHBondContact O-N 3.16Å; D197-S199 VanDerWaalsContact C-N 3.26Å; D197-S199 PolarHBondContact O-N 3.09Å
198I57.7Low52.5Low150 Ų150132 Ų13277%0.76977%0.772SS**  trans-73.389.8167.6-59.1174.4000106.2V196 V200V196-I198 PolarHBondContact O-N 3.31Å; I198-V200 HydrophobicContact CG2-CG2 4.04Å; I198-V200 PolarHBondContact O-N 3.32Å; I198-V200 VanDerWaalsContact O-N 3.1Å
199S53Low51.1Low106 Ų106130.2 Ų130.274%0.74177%0.769SS**  trans-73.197.5167.965.20000108.6D197 P201D197-S199 VanDerWaalsContact C-N 3.26Å; D197-S199 PolarHBondContact O-N 3.09Å; S199-P201 VanDerWaalsContact O-CD 3.27Å; S199-P201 WeakPolarHBondContact O-CD 3.34Å
200V58.4Low50.6Low121 Ų121130.2 Ų130.273%0.73377%0.774SS**  trans-73.1114.8168.4-173.40000107.2I198I198-V200 HydrophobicContact CG2-CG2 4.04Å; I198-V200 PolarHBondContact O-N 3.32Å; I198-V200 VanDerWaalsContact O-N 3.1Å
201P62.3Low50.6Low103 Ų103135.3 Ų135.367%0.66979%0.786SS**  trans-64.6142.6174.326.7-31.9000109.3S199 T203S199-P201 VanDerWaalsContact O-CD 3.27Å; S199-P201 WeakPolarHBondContact O-CD 3.34Å; P201-T203 PolarHBondContact O-N 3.45Å
202P50.6Low50.9Low117 Ų117138.5 Ų138.576%0.7680%0.796SS**  trans-61.2129-179.125.5-32.3000109.3T204P202-T204 PolarHBondContact O-N 3.08Å
203T53.8Low51.2Low140 Ų140143.3 Ų143.386%0.85980%0.797SS**  trans-54.7109.4168.932.30000108.6P201 D205P201-T203 PolarHBondContact O-N 3.45Å; T203-D205 PolarHBondContact O-N 2.93Å
204T53.5Low51.1Low133 Ų133141.7 Ų141.782%0.81680%0.796SS**  trans-62.5114172.338.20000109.4P202 G206P202-T204 PolarHBondContact O-N 3.08Å; T204-G206 PolarHBondContact O-N 3.14Å
205D41.9Very low51.1Low177 Ų177140.2 Ų140.295%0.94780%0.796SS**  trans-53.4104163-91.1-43.5000109.5T203T203-D205 PolarHBondContact O-N 2.93Å
206G46.2Very low50.9Low64 Ų64142.3 Ų142.366%0.6680%0.797SS**  trans-132.386.2-177.600000111.2T204T204-G206 PolarHBondContact O-N 3.14Å
207Q46.2Very low50.5Low189 Ų189143.6 Ų143.688%0.88380%0.8SS**  trans73.394.9149.6-59179.3-200119.3
208K48.2Very low50.4Low207 Ų207148.8 Ų148.890%0.983%0.827SS**  58.8147.8126-81.5-173.7177.8177.20121.4
209P41.6Very low50Low108 Ų108148.8 Ų148.870%0.70183%0.829SS**  trans-102.7153.5-144.538.2-30.1000112.4
210N49Very low49.8Very low165 Ų165151 Ų15188%0.88283%0.834SS**  trans-139.8116.7150.6-105.5-19.9000111.8
211K47.1Very low49.4Very low188 Ų188152.7 Ų152.782%0.81784%0.84SS**  trans-24.1136163.9-68.8167.7170.8177.10114.1
212L53.6Low48.6Very low180 Ų180155.6 Ų155.694%0.94285%0.85SS**  -164.5103.5127.1-93.7138.1000111
213Q50.4Low48.5Very low180 Ų180158 Ų15884%0.84186%0.855SS**  trans-30.9152.3151.4-159.1171.219.100113.2
214C47Very low48.1Very low112 Ų112159.2 Ų159.276%0.75786%0.855SS**  cis-167.1172.514.2-130.90000110.1
215C50Low47.7Very low115 Ų115161.1 Ų161.178%0.77786%0.858SS**  trans-74.6171.1173.7-570000115.9
216Q48.5Very low48.2Very low173 Ų173159.8 Ų159.881%0.80885%0.851SS**  trans108.5109.1145.1-74.5177.6-1400120.4
217N47.4Very low48.3Very low145 Ų145167.8 Ų167.878%0.77587%0.867SS**  trans59.9115.6130.5-63.40.3000121.2
218L51.2Low48.5Very low252 Ų252165.9 Ų165.9100%1.31987%0.866SS**  -128.20111.7-117.499.4000108.9

Retrieved 218 of 218 residues in 269 ms (Link to these results)