A0A3Q0KJQ2_SCHMA Loading...

Protein transport protein SEC23

Component of the coat protein complex II (COPII) which promotes the formation of transport vesicles from the endoplasmic reticulum (ER). The coat has two main functions, the physical deformation of the endoplasmic reticulum membrane into vesicles and the selection of cargo molecules.

AlphaFold DB , UniProt , Accession A0A3Q0KJQ2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 797 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M48.2Very low86.5Confident238 Ų23882.8 Ų82.8100%1.17245%0.445SS*.  0133.60-74.4-173.2-121.500106.1
2A70.2Confident87.2Confident69 Ų6978.2 Ų78.257%0.5742%0.418SS*.  trans-60.3140.6171.700000109.1E6A2-E6 WeakPolarHBondContact CA-OE2 3.47Å; A2-E6 HydrophobicContact CB-CB 3.99Å
3T87.8Confident87.7Confident74 Ų7480.2 Ų80.245%0.45443%0.427SS..  trans-62.7162.9170.866.70000110A5 E6 F7T3-A5 PolarHBondContact O-N 3.49Å; T3-E6 PolarHBondContact N-OE2 2.8Å; T3-E6 PolarHBondContact O-N 3.16Å; T3-E6 VanDerWaalsContact OG1-CG 3.29Å; T3-E6 WeakPolarHBondContact OG1-CG 3.15Å; T3-E6 PolarHBondContact OG1-N 3.46Å; T3-E6 VanDerWaalsContact OG1-N 3.16Å; T3-F7 PolarHBondContact O-N 3.46Å
4M91.8Very high88Confident56 Ų5677.4 Ų77.428%0.27641%0.413SS..Hα-helixtrans-60.8-36.6175.5-171.266.773.400111.6F7 I8 N22 C543M4-F7 WeakPolarHBondContact O-CB 3.48Å; M4-F7 PolarHBondContact O-N 3.25Å; M4-F7 HydrophobicContact SD-CD1 3.77Å; M4-F7 HydrophobicContact SD-CE1 4.43Å; M4-I8 HydrophobicContact CG-CD1 4Å; M4-I8 HydrophobicContact CG-CG1 4.44Å; M4-I8 VanDerWaalsContact O-CG1 3.24Å; M4-I8 WeakPolarHBondContact O-CG1 3.2Å; M4-I8 PolarHBondContact O-N 3.17Å; M4-N22 HydrophobicContact SD-CB 3.88Å; M4-C543 VanDerWaalsContact CG-O 3.23Å; M4-C543 WeakPolarHBondContact CG-O 3.39Å
5A90.3Very high88.4Confident58 Ų5872.9 Ų72.948%0.47939%0.388SS..Hα-helixtrans-61.5-46.7175.400000112T3 F7 I8 Q9T3-A5 PolarHBondContact O-N 3.49Å; A5-F7 VanDerWaalsContact C-N 3.32Å; A5-F7 PolarHBondContact O-N 3Å; A5-I8 PolarHBondContact O-N 3.45Å; A5-Q9 WeakPolarHBondContact O-CG 3.41Å; A5-Q9 PolarHBondContact O-N 3.21Å
6E93.4Very high88.9Confident101 Ų10168.4 Ų68.447%0.47237%0.365SS..Hα-helixtrans-61.6-40.1174.8-73.1166.6175.100111.6A2 T3 Q9 Q10A2-E6 WeakPolarHBondContact CA-OE2 3.47Å; A2-E6 HydrophobicContact CB-CB 3.99Å; T3-E6 PolarHBondContact N-OE2 2.8Å; T3-E6 PolarHBondContact O-N 3.16Å; T3-E6 VanDerWaalsContact OG1-CG 3.29Å; T3-E6 WeakPolarHBondContact OG1-CG 3.15Å; T3-E6 PolarHBondContact OG1-N 3.46Å; T3-E6 VanDerWaalsContact OG1-N 3.16Å; E6-Q9 PolarHBondContact O-N 3.03Å; E6-Q10 VanDerWaalsContact O-CB 3.32Å; E6-Q10 WeakPolarHBondContact O-CB 3.29Å; E6-Q10 PolarHBondContact O-N 3.21Å
7F94.3Very high89.4Confident82 Ų8264.4 Ų64.436%0.3634%0.344SS..Hα-helixtrans-61.6-44.2175.1167.5-99.1000112.3T3 M4 A5 Q10 S11 N22T3-F7 PolarHBondContact O-N 3.46Å; M4-F7 WeakPolarHBondContact O-CB 3.48Å; M4-F7 PolarHBondContact O-N 3.25Å; M4-F7 HydrophobicContact SD-CD1 3.77Å; M4-F7 HydrophobicContact SD-CE1 4.43Å; A5-F7 VanDerWaalsContact C-N 3.32Å; A5-F7 PolarHBondContact O-N 3Å; F7-Q10 PolarHBondContact O-N 2.9Å; F7-S11 WeakPolarHBondContact O-CB 3.29Å; F7-S11 PolarHBondContact O-N 2.91Å; F7-N22 HydrophobicContact CE1-CB 4.45Å
8I94.8Very high89.8Confident14 Ų1461.7 Ų61.77%0.07233%0.328CS..Hα-helixtrans-62.2-48178-71.2165.9000110.4M4 A5 Q10 S11 E12 R18 N22 D546M4-I8 HydrophobicContact CG-CD1 4Å; M4-I8 HydrophobicContact CG-CG1 4.44Å; M4-I8 VanDerWaalsContact O-CG1 3.24Å; M4-I8 WeakPolarHBondContact O-CG1 3.2Å; M4-I8 PolarHBondContact O-N 3.17Å; A5-I8 PolarHBondContact O-N 3.45Å; I8-Q10 PolarHBondContact O-N 2.73Å; I8-S11 WeakPolarHBondContact O-CB 3.18Å; I8-S11 PolarHBondContact O-N 3.21Å; I8-E12 PolarHBondContact O-N 3.25Å; I8-R18 VanDerWaalsContact CG2-CD 3.46Å; I8-N22 VanDerWaalsContact CD1-ND2 3.35Å; I8-N22 WeakPolarHBondContact CD1-ND2 3.35Å; I8-N22 WeakPolarHBondContact CG1-ND2 3.48Å; I8-D546 HydrophobicContact CD1-CB 4.21Å; I8-D546 WeakPolarHBondContact CG2-OD2 3.46Å
9Q94Very high90.3Very high118 Ų11858.4 Ų58.455%0.55131%0.31SS*.Hα-helixtrans-60.9-44.2177.3-71.7177.5-2.500111.6A5 E6 S11 E12 I13A5-Q9 WeakPolarHBondContact O-CG 3.41Å; A5-Q9 PolarHBondContact O-N 3.21Å; E6-Q9 PolarHBondContact O-N 3.03Å; Q9-S11 VanDerWaalsContact C-N 3.32Å; Q9-S11 PolarHBondContact O-N 3.23Å; Q9-E12 PolarHBondContact O-N 3.4Å; Q9-I13 WeakPolarHBondContact O-CG1 3.25Å; Q9-I13 PolarHBondContact O-N 2.94Å
10Q93Very high90.7Very high95 Ų9555.5 Ų55.544%0.44430%0.295SS..Hα-helixtrans-65.2-36.8177.6-166.665.542.600112E6 F7 I8 E12 I13 N14E6-Q10 VanDerWaalsContact O-CB 3.32Å; E6-Q10 WeakPolarHBondContact O-CB 3.29Å; E6-Q10 PolarHBondContact O-N 3.21Å; F7-Q10 PolarHBondContact O-N 2.9Å; I8-Q10 PolarHBondContact O-N 2.73Å; Q10-E12 VanDerWaalsContact C-N 3.32Å; Q10-I13 PolarHBondContact O-N 3.38Å; Q10-N14 VanDerWaalsContact NE2-CG 3.33Å; Q10-N14 PolarHBondContact NE2-ND2 2.89Å; Q10-N14 PolarHBondContact NE2-OD1 3.5Å; Q10-N14 VanDerWaalsContact O-CB 3.23Å; Q10-N14 WeakPolarHBondContact O-CB 3.44Å; Q10-N14 VanDerWaalsContact O-CG 3.27Å; Q10-N14 PolarHBondContact O-N 2.95Å
11S94.2Very high91Very high6 Ų652.9 Ų52.94%0.04228%0.281CS..Hα-helixtrans-62-39.9174.2-172.20000111.1F7 I8 Q9 D15 G16 I17 R529F7-S11 WeakPolarHBondContact O-CB 3.29Å; F7-S11 PolarHBondContact O-N 2.91Å; I8-S11 WeakPolarHBondContact O-CB 3.18Å; I8-S11 PolarHBondContact O-N 3.21Å; Q9-S11 VanDerWaalsContact C-N 3.32Å; Q9-S11 PolarHBondContact O-N 3.23Å; S11-D15 WeakPolarHBondContact O-CA 3.38Å; S11-D15 WeakPolarHBondContact O-CB 3.47Å; S11-D15 PolarHBondContact O-N 2.94Å; S11-G16 PolarHBondContact O-N 3.21Å; S11-I17 CarbonylContact C-O 3.42Å; S11-I17 VanDerWaalsContact OG-CG2 3.28Å; S11-I17 WeakPolarHBondContact OG-CG2 3.29Å; S11-I17 PolarHBondContact OG-O 3.39Å; S11-R529 PolarHBondContact OG-NH2 3.27Å
12E94.9Very high93.4Very high27 Ų2741.9 Ų41.913%0.12623%0.227CC..Hα-helixtrans-68.7-43.2175.8-178.4167.4-151.700112.6I8 Q9 Q10 G16 I17 R18I8-E12 PolarHBondContact O-N 3.25Å; Q9-E12 PolarHBondContact O-N 3.4Å; Q10-E12 VanDerWaalsContact C-N 3.32Å; E12-G16 WeakPolarHBondContact O-CA 3.41Å; E12-G16 PolarHBondContact O-N 3.17Å; E12-I17 PolarHBondContact N-O 3.17Å; E12-R18 HydrophobicContact CB-CG 3.96Å; E12-R18 HydrophobicContact CG-CG 4.01Å; E12-R18 VanDerWaalsContact OE2-CD 3.26Å; E12-R18 WeakPolarHBondContact OE2-CD 3.48Å; E12-R18 IonicContact OE2-CZ 3.67Å; E12-R18 IonicContact OE2-NE 3.43Å; E12-R18 IonicContact OE2-NH1 2.71Å; E12-R18 PolarHBondContact OE2-NH1 2.85Å
13I92.7Very high94.5Very high104 Ų10438.7 Ų38.753%0.53320%0.201SC..Hα-helixtrans-64-46.5177.9-68.2166000110.7Q9 Q10Q9-I13 WeakPolarHBondContact O-CG1 3.25Å; Q9-I13 PolarHBondContact O-N 2.94Å; Q10-I13 PolarHBondContact O-N 3.38Å
14N91.8Very high94.9Very high42 Ų4235.2 Ų35.223%0.22518%0.179CC..Hα-helixtrans-79-44-173.5-71.7-9.1000112.8Q10 R48Q10-N14 VanDerWaalsContact NE2-CG 3.33Å; Q10-N14 PolarHBondContact NE2-ND2 2.89Å; Q10-N14 PolarHBondContact NE2-OD1 3.5Å; Q10-N14 VanDerWaalsContact O-CB 3.23Å; Q10-N14 WeakPolarHBondContact O-CB 3.44Å; Q10-N14 VanDerWaalsContact O-CG 3.27Å; Q10-N14 PolarHBondContact O-N 2.95Å; N14-R48 VanDerWaalsContact O-CD 3.22Å; N14-R48 WeakPolarHBondContact O-CD 3.43Å; N14-R48 PolarHBondContact O-NH1 2.71Å
15D94.5Very high94.9Very high9 Ų932.5 Ų32.55%0.04817%0.166CC..Hα-helixtrans-116.1-7.4-167.5-63-53000113.1S11 I17 T113 T114 T525 V527S11-D15 WeakPolarHBondContact O-CA 3.38Å; S11-D15 WeakPolarHBondContact O-CB 3.47Å; S11-D15 PolarHBondContact O-N 2.94Å; D15-I17 VanDerWaalsContact C-N 3.33Å; D15-I17 HydrophobicContact CB-CG2 3.68Å; D15-T113 VanDerWaalsContact CG-OG1 3.29Å; D15-T113 WeakPolarHBondContact OD1-CB 3.32Å; D15-T113 PolarHBondContact OD1-OG1 2.86Å; D15-T113 PolarHBondContact OD2-OG1 2.85Å; D15-T114 WeakPolarHBondContact OD1-CB 3.48Å; D15-T114 PolarHBondContact OD1-N 3.11Å; D15-T114 PolarHBondContact OD1-OG1 2.79Å; D15-T525 HydrophobicContact CB-CG2 3.84Å; D15-V527 HydrophobicContact CB-CG1 4.4Å
16G95.9Very high94.9Very high1 Ų130 Ų301%0.0114%0.144CC..SBendtrans66.734.7-176.300000112.3S11 E12 T43S11-G16 PolarHBondContact O-N 3.21Å; E12-G16 WeakPolarHBondContact O-CA 3.41Å; E12-G16 PolarHBondContact O-N 3.17Å; G16-T43 PolarHBondContact O-N 2.73Å
17I97.5Very high94.8Very high1 Ų125.2 Ų25.21%0.00512%0.122CC..EExtended strand (participates in β ladder)trans-134.5135.5-172.5-165.7164.6000114.1S11 E12 D15 F19 C40 L41 Y42 F509 V527S11-I17 CarbonylContact C-O 3.42Å; S11-I17 VanDerWaalsContact OG-CG2 3.28Å; S11-I17 WeakPolarHBondContact OG-CG2 3.29Å; S11-I17 PolarHBondContact OG-O 3.39Å; E12-I17 PolarHBondContact N-O 3.17Å; D15-I17 VanDerWaalsContact C-N 3.33Å; D15-I17 HydrophobicContact CB-CG2 3.68Å; I17-F19 HydrophobicContact CD1-CD2 4.22Å; I17-F19 HydrophobicContact CD1-CE2 3.38Å; I17-F19 HydrophobicContact CD1-CZ 3.77Å; I17-F19 HydrophobicContact CG1-CD2 4.1Å; I17-F19 HydrophobicContact CG1-CE2 3.76Å; I17-F19 HydrophobicContact CG1-CZ 4.48Å; I17-C40 HydrophobicContact CD1-CB 4.03Å; I17-C40 HydrophobicContact CG1-CB 3.86Å; I17-L41 VanDerWaalsContact CA-O 3.29Å; I17-L41 WeakPolarHBondContact CA-O 3.21Å; I17-Y42 HydrophobicContact CB-CD2 4.41Å; I17-Y42 HydrophobicContact CD1-CD2 4.41Å; I17-F509 HydrophobicContact CD1-CD2 4.45Å; I17-F509 HydrophobicContact CD1-CE2 3.43Å; I17-F509 VanDerWaalsContact CD1-CE2 3.43Å; I17-F509 HydrophobicContact CD1-CZ 3.73Å; I17-V527 HydrophobicContact CD1-CG1 4.41Å; I17-V527 HydrophobicContact CD1-CG2 4.12Å; I17-V527 HydrophobicContact CG2-CG1 3.95Å
18R97.8Very high94.7Very high15 Ų1527 Ų276%0.05713%0.126CC..EExtended strand (participates in β ladder)trans-130.7124.3174-67.5-76.5-67.6-95.21.6109.4I8 E12 C40 L41 D546 E548 A549 C640I8-R18 VanDerWaalsContact CG2-CD 3.46Å; E12-R18 HydrophobicContact CB-CG 3.96Å; E12-R18 HydrophobicContact CG-CG 4.01Å; E12-R18 VanDerWaalsContact OE2-CD 3.26Å; E12-R18 WeakPolarHBondContact OE2-CD 3.48Å; E12-R18 IonicContact OE2-CZ 3.67Å; E12-R18 IonicContact OE2-NE 3.43Å; E12-R18 IonicContact OE2-NH1 2.71Å; E12-R18 PolarHBondContact OE2-NH1 2.85Å; R18-C40 CarbonylContact O-C 3.51Å; R18-C40 WeakPolarHBondContact O-CA 3.43Å; R18-C40 WeakPolarHBondContact O-CB 3.27Å; R18-L41 HydrophobicContact CB-CB 4.49Å; R18-L41 PolarHBondContact N-O 2.74Å; R18-L41 PolarHBondContact O-N 2.97Å; R18-D546 IonicContact CZ-OD1 2.76Å; R18-D546 IonicContact CZ-OD2 3.43Å; R18-D546 VanDerWaalsContact CZ-OD2 3.31Å; R18-D546 IonicContact NE-OD1 3.16Å; R18-D546 IonicContact NE-OD2 3.2Å; R18-D546 PolarHBondContact NE-OD2 3.13Å; R18-D546 VanDerWaalsContact NH2-CG 3.32Å; R18-D546 IonicContact NH2-OD1 3.8Å; R18-D546 PolarHBondContact NH2-OD1 3.35Å; R18-D546 IonicContact NH2-OD2 3.04Å; R18-D546 PolarHBondContact NH2-OD2 2.99Å; R18-E548 IonicContact CZ-OE2 3.9Å; R18-E548 IonicContact NH1-OE2 3.61Å; R18-E548 PolarHBondContact NH1-OE2 2.76Å; R18-E548 IonicContact NH2-OE2 2.9Å; R18-E548 PolarHBondContact NH2-OE2 2.96Å; R18-A549 HydrophobicContact CB-CB 3.89Å; R18-C640 HydrophobicContact CG-CB 4.48Å
19F98.6Very high94.5Very high0 Ų031.6 Ų31.60%015%0.151CC..EExtended strand (participates in β ladder)trans-100.6144.1177.1-80.4-94000110.7I17 W21 N22 W24 G39 C40 F483 V527 D546I17-F19 HydrophobicContact CD1-CD2 4.22Å; I17-F19 HydrophobicContact CD1-CE2 3.38Å; I17-F19 HydrophobicContact CD1-CZ 3.77Å; I17-F19 HydrophobicContact CG1-CD2 4.1Å; I17-F19 HydrophobicContact CG1-CE2 3.76Å; I17-F19 HydrophobicContact CG1-CZ 4.48Å; F19-W21 WeakPolarHBondContact CB-O 3.3Å; F19-W21 PolarHBondContact O-N 3.09Å; F19-N22 PolarHBondContact O-ND2 2.88Å; F19-W24 AromaticContact CD1-CZ2 3.97Å; F19-W24 HydrophobicContact CD1-CZ2 3.97Å; F19-W24 HydrophobicContact CE1-CH2 4.41Å; F19-W24 AromaticContact CE1-CZ2 3.53Å; F19-W24 HydrophobicContact CE1-CZ2 3.53Å; F19-W24 HydrophobicContact CZ-CH2 4.48Å; F19-W24 AromaticContact CZ-CZ2 3.86Å; F19-W24 HydrophobicContact CZ-CZ2 3.86Å; F19-G39 CarbonylContact C-O 3.58Å; F19-G39 VanDerWaalsContact CA-O 3.29Å; F19-G39 WeakPolarHBondContact CA-O 3.39Å; F19-G39 WeakPolarHBondContact CD1-O 3.44Å; F19-C40 HydrophobicContact CD1-CB 3.64Å; F19-C40 HydrophobicContact CD2-CB 4.07Å; F19-C40 HydrophobicContact CE1-CB 3.64Å; F19-C40 HydrophobicContact CE2-CB 4.09Å; F19-C40 HydrophobicContact CG-CB 3.85Å; F19-C40 HydrophobicContact CZ-CB 3.87Å; F19-F483 HydrophobicContact CE1-CD2 4.47Å; F19-F483 AromaticContact CE1-CE2 3.97Å; F19-F483 HydrophobicContact CE1-CE2 3.97Å; F19-V527 HydrophobicContact CE2-CG2 3.84Å; F19-V527 HydrophobicContact CZ-CG2 3.91Å; F19-D546 WeakPolarHBondContact O-CB 3.45Å
20S98.3Very high94.3Very high0 Ų026.6 Ų26.60%013%0.127CC..SBendtrans-58-37.4167.2490000112.4P37 G39 F545 D546S20-P37 PolarHBondContact OG-O 2.71Å; S20-G39 PolarHBondContact N-O 3.16Å; S20-G39 PolarHBondContact OG-N 2.8Å; S20-G39 VanDerWaalsContact OG-N 3.09Å; S20-G39 PolarHBondContact OG-O 3.28Å; S20-F545 VanDerWaalsContact O-CD2 3.29Å; S20-F545 WeakPolarHBondContact O-CD2 3.39Å; S20-D546 PolarHBondContact O-N 2.88Å
21W97.8Very high94.3Very high0 Ų023 Ų230%011%0.112CC..BIsolated β-bridgetrans-129.1119.8178.7-61.799.5000110.4F19 A23 W24 C34 V36 M541 F545 F585 F602F19-W21 WeakPolarHBondContact CB-O 3.3Å; F19-W21 PolarHBondContact O-N 3.09Å; W21-A23 VanDerWaalsContact C-N 3.32Å; W21-W24 VanDerWaalsContact O-CD1 3.28Å; W21-W24 PolarHBondContact O-NE1 3Å; W21-C34 HydrophobicContact CZ2-CB 3.76Å; W21-V36 HydrophobicContact CZ2-CB 4.5Å; W21-V36 PolarHBondContact NE1-O 3.09Å; W21-M541 HydrophobicContact CE3-CG 4.03Å; W21-M541 HydrophobicContact CZ3-CG 3.88Å; W21-F545 AromaticContact CD2-CD2 3.8Å; W21-F545 HydrophobicContact CD2-CD2 3.8Å; W21-F545 AromaticContact CE2-CD2 3.66Å; W21-F545 AromaticContact CE2-CE2 3.97Å; W21-F545 HydrophobicContact CE3-CB 4.01Å; W21-F545 AromaticContact CE3-CD2 3.78Å; W21-F545 HydrophobicContact CE3-CD2 3.78Å; W21-F545 HydrophobicContact CE3-CG 4.37Å; W21-F545 HydrophobicContact CH2-CB 4.26Å; W21-F545 AromaticContact CH2-CD2 3.51Å; W21-F545 HydrophobicContact CH2-CD2 3.51Å; W21-F545 HydrophobicContact CH2-CE2 4.11Å; W21-F545 HydrophobicContact CH2-CG 4.09Å; W21-F545 AromaticContact CZ2-CD2 3.53Å; W21-F545 HydrophobicContact CZ2-CD2 3.53Å; W21-F545 AromaticContact CZ2-CE2 3.76Å; W21-F545 HydrophobicContact CZ2-CE2 3.76Å; W21-F545 HydrophobicContact CZ3-CB 3.71Å; W21-F545 AromaticContact CZ3-CD2 3.65Å; W21-F545 HydrophobicContact CZ3-CD2 3.65Å; W21-F545 HydrophobicContact CZ3-CG 4.02Å; W21-F585 HydrophobicContact CH2-CD2 4.47Å; W21-F585 AromaticContact CH2-CE1 3.96Å; W21-F585 HydrophobicContact CH2-CE1 3.96Å; W21-F585 AromaticContact CH2-CE2 3.64Å; W21-F585 HydrophobicContact CH2-CE2 3.64Å; W21-F585 AromaticContact CH2-CZ 3.33Å; W21-F585 HydrophobicContact CH2-CZ 3.33Å; W21-F585 HydrophobicContact CZ2-CE2 4.14Å; W21-F585 HydrophobicContact CZ2-CZ 4.11Å; W21-F585 HydrophobicContact CZ3-CE1 4.31Å; W21-F585 HydrophobicContact CZ3-CZ 4.03Å; W21-F602 AromaticContact CH2-CE1 3.91Å; W21-F602 HydrophobicContact CH2-CE1 3.91Å; W21-F602 AromaticContact CH2-CZ 3.66Å; W21-F602 HydrophobicContact CH2-CZ 3.66Å; W21-F602 AromaticContact CZ3-CZ 3.93Å; W21-F602 HydrophobicContact CZ3-CZ 3.93Å
22N97.1Very high94.2Very high7 Ų726.2 Ų26.24%0.03714%0.14CC..SBendtrans-94.88.3175.1-64.8-83.7000112.7M4 F7 I8 F19 R529 G544M4-N22 HydrophobicContact SD-CB 3.88Å; F7-N22 HydrophobicContact CE1-CB 4.45Å; I8-N22 VanDerWaalsContact CD1-ND2 3.35Å; I8-N22 WeakPolarHBondContact CD1-ND2 3.35Å; I8-N22 WeakPolarHBondContact CG1-ND2 3.48Å; F19-N22 PolarHBondContact O-ND2 2.88Å; N22-R529 WeakPolarHBondContact O-CD 3.26Å; N22-R529 VanDerWaalsContact OD1-CZ 3.3Å; N22-R529 PolarHBondContact OD1-NE 3.24Å; N22-R529 PolarHBondContact OD1-NH2 3.3Å; N22-G544 WeakPolarHBondContact CB-O 3.33Å; N22-G544 PolarHBondContact N-O 3.26Å; N22-G544 PolarHBondContact ND2-O 3.5Å
23A94.4Very high94.1Very high3 Ų328.7 Ų28.73%0.02515%0.151CC..EExtended strand (participates in β ladder)trans-136.9125.9167.100000107.1W21 I532W21-A23 VanDerWaalsContact C-N 3.32Å; A23-I532 HydrophobicContact CB-CD1 3.33Å; A23-I532 HydrophobicContact CB-CG1 3.8Å
24W95.1Very high94.1Very high0 Ų023.8 Ų23.80%013%0.126CC..EExtended strand (participates in β ladder)trans-103.2132.5-172.7-62.8-20.4000111.8F19 W21 I38 L436 G505 V507 R529 N530 W531 I532F19-W24 AromaticContact CD1-CZ2 3.97Å; F19-W24 HydrophobicContact CD1-CZ2 3.97Å; F19-W24 HydrophobicContact CE1-CH2 4.41Å; F19-W24 AromaticContact CE1-CZ2 3.53Å; F19-W24 HydrophobicContact CE1-CZ2 3.53Å; F19-W24 HydrophobicContact CZ-CH2 4.48Å; F19-W24 AromaticContact CZ-CZ2 3.86Å; F19-W24 HydrophobicContact CZ-CZ2 3.86Å; W21-W24 VanDerWaalsContact O-CD1 3.28Å; W21-W24 PolarHBondContact O-NE1 3Å; W24-I38 HydrophobicContact CB-CD1 4.19Å; W24-I38 HydrophobicContact CG-CD1 4.2Å; W24-I38 HydrophobicContact CG-CG2 4.39Å; W24-L436 HydrophobicContact CE3-CD2 4.3Å; W24-L436 HydrophobicContact CH2-CD2 4.13Å; W24-L436 HydrophobicContact CZ3-CD2 3.86Å; W24-G505 VanDerWaalsContact CZ3-C 3.46Å; W24-V507 HydrophobicContact CH2-CG2 3.79Å; W24-V507 HydrophobicContact CZ3-CG2 4.47Å; W24-R529 HydrophobicContact CD2-CB 3.72Å; W24-R529 HydrophobicContact CD2-CG 4.28Å; W24-R529 HydrophobicContact CE3-CB 4.08Å; W24-R529 HydrophobicContact CG-CB 4.22Å; W24-R529 HydrophobicContact CH2-CB 3.99Å; W24-R529 HydrophobicContact CH2-CG 4.01Å; W24-R529 HydrophobicContact CZ2-CB 3.64Å; W24-R529 HydrophobicContact CZ2-CG 3.36Å; W24-R529 HydrophobicContact CZ3-CB 4.22Å; W24-N530 PolarHBondContact N-O 3.39Å; W24-W531 HydrophobicContact CB-CD2 4.46Å; W24-W531 HydrophobicContact CB-CE3 3.57Å; W24-W531 HydrophobicContact CB-CH2 4.32Å; W24-W531 HydrophobicContact CB-CZ3 3.5Å; W24-W531 AromaticContact CE3-CH2 3.93Å; W24-W531 HydrophobicContact CE3-CH2 3.93Å; W24-W531 HydrophobicContact CE3-CZ2 4.06Å; W24-W531 HydrophobicContact CE3-CZ3 4.25Å; W24-W531 HydrophobicContact CG-CZ3 4.44Å; W24-W531 CarbonylContact O-C 3.54Å; W24-W531 WeakPolarHBondContact O-CA 3.27Å; W24-I532 PolarHBondContact O-N 3.23Å
25P93.2Very high94.3Very high0 Ų023 Ų230%012%0.123CC..EExtended strand (participates in β ladder)trans-62137.2174.522.9-31.1000110.9S27 E30 S31 I38 V485 W531 I532P25-S27 VanDerWaalsContact C-N 3.3Å; P25-S27 PolarHBondContact O-N 2.68Å; P25-E30 HydrophobicContact CB-CB 3.68Å; P25-S31 VanDerWaalsContact CG-CA 3.47Å; P25-I38 HydrophobicContact CG-CD1 4.08Å; P25-V485 HydrophobicContact CG-CG2 4.41Å; P25-V485 WeakPolarHBondContact O-CG2 3.5Å; P25-W531 VanDerWaalsContact O-CZ3 3.24Å; P25-W531 WeakPolarHBondContact O-CZ3 3.36Å; P25-I532 WeakPolarHBondContact CA-O 3.44Å
26I90.5Very high94.4Very high4 Ų422.7 Ų22.72%0.02112%0.121CC..SBendtrans-70.4-20.5-177.649.2-168000115.1E30 T487 V495 W531 I532 D533I26-E30 VanDerWaalsContact CG1-OE1 3.29Å; I26-E30 WeakPolarHBondContact CG1-OE1 2.97Å; I26-T487 VanDerWaalsContact O-CB 3.29Å; I26-T487 WeakPolarHBondContact O-CB 3.34Å; I26-V495 HydrophobicContact CB-CG1 3.92Å; I26-V495 HydrophobicContact CD1-CB 3.29Å; I26-V495 HydrophobicContact CD1-CG1 3.26Å; I26-V495 HydrophobicContact CD1-CG2 3.9Å; I26-V495 HydrophobicContact CG1-CB 4.07Å; I26-V495 HydrophobicContact CG1-CG1 3.59Å; I26-V495 HydrophobicContact CG1-CG2 4.4Å; I26-W531 HydrophobicContact CG2-CB 3.68Å; I26-W531 HydrophobicContact CG2-CG 4.49Å; I26-I532 PolarHBondContact N-O 3.18Å; I26-I532 VanDerWaalsContact N-O 3.11Å; I26-D533 HydrophobicContact CD1-CB 3.38Å; I26-D533 HydrophobicContact CG1-CB 4.49Å
27S90.9Very high94.5Very high1 Ų123.9 Ų23.91%0.00713%0.129CC..SBendtrans-130.4152.8-175.374.80000112.7P25 L29 E30 S31 T487P25-S27 VanDerWaalsContact C-N 3.3Å; P25-S27 PolarHBondContact O-N 2.68Å; S27-L29 PolarHBondContact O-N 3.44Å; S27-E30 PolarHBondContact O-N 3.07Å; S27-E30 VanDerWaalsContact OG-CG 3.27Å; S27-E30 WeakPolarHBondContact OG-CG 3.34Å; S27-E30 PolarHBondContact OG-N 2.95Å; S27-E30 PolarHBondContact OG-OE1 3.49Å; S27-S31 PolarHBondContact O-N 3.34Å; S27-T487 WeakPolarHBondContact CA-O 3.39Å
28R91.1Very high94.5Very high120 Ų12023.9 Ų23.945%0.45313%0.129SC..Hα-helixtrans-56.6-37.4175.9-169.9178.7-172.91729112.7S31 A32 E484 T487R28-S31 PolarHBondContact O-N 3.08Å; R28-A32 PolarHBondContact O-N 2.96Å; R28-E484 IonicContact NH2-OE2 3.89Å; R28-T487 PolarHBondContact N-O 3.42Å
29L90.7Very high94.5Very high111 Ų11123.1 Ų23.158%0.58113%0.126SC*.Hα-helixtrans-64.8-47.4178.7179.463.5000111S27 S31 A32 Q33S27-L29 PolarHBondContact O-N 3.44Å; L29-S31 VanDerWaalsContact C-N 3.34Å; L29-A32 PolarHBondContact O-N 2.91Å; L29-Q33 WeakPolarHBondContact O-CG 3.42Å; L29-Q33 PolarHBondContact O-N 2.77Å; L29-Q33 VanDerWaalsContact O-N 3.15Å
30E90.7Very high94.5Very high12 Ų1223.1 Ų23.16%0.05613%0.126CC..Hα-helixtrans-64.8-40.2177-69.5171.5-116.200111.5P25 I26 S27 A32 Q33 C34 S534P25-E30 HydrophobicContact CB-CB 3.68Å; I26-E30 VanDerWaalsContact CG1-OE1 3.29Å; I26-E30 WeakPolarHBondContact CG1-OE1 2.97Å; S27-E30 PolarHBondContact O-N 3.07Å; S27-E30 VanDerWaalsContact OG-CG 3.27Å; S27-E30 WeakPolarHBondContact OG-CG 3.34Å; S27-E30 PolarHBondContact OG-N 2.95Å; S27-E30 PolarHBondContact OG-OE1 3.49Å; E30-A32 VanDerWaalsContact C-N 3.28Å; E30-A32 PolarHBondContact O-N 2.85Å; E30-Q33 WeakPolarHBondContact O-CA 3.28Å; E30-Q33 WeakPolarHBondContact O-CB 3.31Å; E30-Q33 PolarHBondContact O-N 2.83Å; E30-C34 PolarHBondContact O-N 3.46Å; E30-C34 VanDerWaalsContact O-N 3.15Å; E30-S534 VanDerWaalsContact CD-OG 3.28Å; E30-S534 WeakPolarHBondContact CG-OG 3.48Å; E30-S534 WeakPolarHBondContact OE2-CB 3.34Å; E30-S534 PolarHBondContact OE2-N 2.81Å; E30-S534 PolarHBondContact OE2-OG 2.87Å
31S93.2Very high94.6Very high19 Ų1923.3 Ų23.313%0.13313%0.127CC..Hα-helixtrans-59.2-38.1173.8-171.80000113P25 S27 R28 L29 Q33 C34P25-S31 VanDerWaalsContact CG-CA 3.47Å; S27-S31 PolarHBondContact O-N 3.34Å; R28-S31 PolarHBondContact O-N 3.08Å; L29-S31 VanDerWaalsContact C-N 3.34Å; S31-Q33 VanDerWaalsContact C-N 3.3Å; S31-C34 WeakPolarHBondContact O-CB 3.31Å; S31-C34 PolarHBondContact O-N 3.23Å
32A92Very high94.6Very high75 Ų7523.3 Ų23.362%0.6213%0.127SC*.Hα-helixtrans-68.7-31.2175.300000112.1R28 L29 E30 C34 V35R28-A32 PolarHBondContact O-N 2.96Å; L29-A32 PolarHBondContact O-N 2.91Å; E30-A32 VanDerWaalsContact C-N 3.28Å; E30-A32 PolarHBondContact O-N 2.85Å; A32-C34 VanDerWaalsContact C-N 3.31Å; A32-V35 PolarHBondContact O-N 2.73Å
33Q92.2Very high94.6Very high79 Ų7923.4 Ų23.437%0.36913%0.128SC..Hα-helixtrans-73.1-19.8176-67.5179.18.800113.5L29 E30 S31 V35 K584L29-Q33 WeakPolarHBondContact O-CG 3.42Å; L29-Q33 PolarHBondContact O-N 2.77Å; L29-Q33 VanDerWaalsContact O-N 3.15Å; E30-Q33 WeakPolarHBondContact O-CA 3.28Å; E30-Q33 WeakPolarHBondContact O-CB 3.31Å; E30-Q33 PolarHBondContact O-N 2.83Å; S31-Q33 VanDerWaalsContact C-N 3.3Å; Q33-V35 PolarHBondContact O-N 2.72Å; Q33-K584 HydrophobicContact CB-CD 4.49Å; Q33-K584 WeakPolarHBondContact O-CG 3.15Å
34C93.8Very high94.4Very high1 Ų123.3 Ų23.31%0.00713%0.127CC..THydrogen-bonded Turntrans-66-18.8173.2-68.90000113.2W21 E30 S31 A32 V36W21-C34 HydrophobicContact CZ2-CB 3.76Å; E30-C34 PolarHBondContact O-N 3.46Å; E30-C34 VanDerWaalsContact O-N 3.15Å; S31-C34 WeakPolarHBondContact O-CB 3.31Å; S31-C34 PolarHBondContact O-N 3.23Å; A32-C34 VanDerWaalsContact C-N 3.31Å; C34-V36 PolarHBondContact O-N 3.07Å
35V94.6Very high93.9Very high26 Ų2623.6 Ų23.616%0.15813%0.128CC..SBendtrans66.3-59.9-179-171.90000113.4A32 Q33 Q577 K580 L581A32-V35 PolarHBondContact O-N 2.73Å; Q33-V35 PolarHBondContact O-N 2.72Å; V35-Q577 HydrophobicContact CG1-CB 4.1Å; V35-Q577 WeakPolarHBondContact CG1-O 3.07Å; V35-K580 HydrophobicContact CG1-CB 4.03Å; V35-K580 HydrophobicContact CG2-CB 3.71Å; V35-L581 HydrophobicContact CB-CB 4.31Å; V35-L581 HydrophobicContact CG1-CB 4.45Å
36V97.4Very high93.6Very high1 Ų126.8 Ų26.81%0.00614%0.142CC..SBendtrans-70.4125.4169.4173.30000108.3W21 C34 F545 A550 I554 L581 Y605W21-V36 HydrophobicContact CZ2-CB 4.5Å; W21-V36 PolarHBondContact NE1-O 3.09Å; C34-V36 PolarHBondContact O-N 3.07Å; V36-F545 HydrophobicContact CB-CE2 4.32Å; V36-F545 HydrophobicContact CG1-CE2 4.3Å; V36-F545 HydrophobicContact CG2-CE2 4.39Å; V36-F545 HydrophobicContact CG2-CZ 4.48Å; V36-A550 HydrophobicContact CG1-CB 3.9Å; V36-I554 HydrophobicContact CG1-CG1 4.43Å; V36-I554 HydrophobicContact CG2-CD1 4.36Å; V36-I554 HydrophobicContact CG2-CG1 4.21Å; V36-L581 HydrophobicContact CG2-CD1 3.58Å; V36-Y605 WeakPolarHBondContact CG2-OH 3.4Å
37P97Very high93.1Very high26 Ų2629.7 Ų29.717%0.16916%0.155CC..  trans-66.7156.4-178.428.6-35000111.5S20 G39 Y482 M557S20-P37 PolarHBondContact OG-O 2.71Å; P37-G39 PolarHBondContact O-N 3.32Å; P37-G39 VanDerWaalsContact O-N 3.15Å; P37-Y482 HydrophobicContact CB-CD1 4.43Å; P37-Y482 HydrophobicContact CG-CD1 3.9Å; P37-Y482 HydrophobicContact CG-CE1 4.22Å; P37-M557 HydrophobicContact CG-CE 4.33Å; P37-M557 HydrophobicContact CG-SD 3.71Å
38I97.9Very high92.5Very high1 Ų131.6 Ų31.61%0.00516%0.162CC..EExtended strand (participates in β ladder)trans-66.2114.7164.4-54.8174.5000106.8W24 P25 L436 F483 V485W24-I38 HydrophobicContact CB-CD1 4.19Å; W24-I38 HydrophobicContact CG-CD1 4.2Å; W24-I38 HydrophobicContact CG-CG2 4.39Å; P25-I38 HydrophobicContact CG-CD1 4.08Å; I38-L436 HydrophobicContact CD1-CD1 4.36Å; I38-F483 HydrophobicContact CB-CB 4.36Å; I38-F483 HydrophobicContact CG2-CB 4.22Å; I38-F483 HydrophobicContact CG2-CD2 4.26Å; I38-F483 PolarHBondContact O-N 2.99Å; I38-V485 HydrophobicContact CD1-CG2 3.53Å
39G98.5Very high91.6Very high0 Ų034 Ų340%017%0.172CC..EExtended strand (participates in β ladder)trans-150.3163.8177.200000110.4F19 S20 P37 I481 L553F19-G39 CarbonylContact C-O 3.58Å; F19-G39 VanDerWaalsContact CA-O 3.29Å; F19-G39 WeakPolarHBondContact CA-O 3.39Å; F19-G39 WeakPolarHBondContact CD1-O 3.44Å; S20-G39 PolarHBondContact N-O 3.16Å; S20-G39 PolarHBondContact OG-N 2.8Å; S20-G39 VanDerWaalsContact OG-N 3.09Å; S20-G39 PolarHBondContact OG-O 3.28Å; P37-G39 PolarHBondContact O-N 3.32Å; P37-G39 VanDerWaalsContact O-N 3.15Å; G39-I481 CarbonylContact C-O 3.55Å; G39-I481 WeakPolarHBondContact CA-O 3.32Å; G39-L553 WeakPolarHBondContact O-CD1 3.27Å
40C98.8Very high90.9Very high0 Ų033.2 Ų33.20%017%0.169CC..EExtended strand (participates in β ladder)trans-135.4149.817267.10000112.3I17 R18 F19 A480 I481I17-C40 HydrophobicContact CD1-CB 4.03Å; I17-C40 HydrophobicContact CG1-CB 3.86Å; R18-C40 CarbonylContact O-C 3.51Å; R18-C40 WeakPolarHBondContact O-CA 3.43Å; R18-C40 WeakPolarHBondContact O-CB 3.27Å; F19-C40 HydrophobicContact CD1-CB 3.64Å; F19-C40 HydrophobicContact CD2-CB 4.07Å; F19-C40 HydrophobicContact CE1-CB 3.64Å; F19-C40 HydrophobicContact CE2-CB 4.09Å; F19-C40 HydrophobicContact CG-CB 3.85Å; F19-C40 HydrophobicContact CZ-CB 3.87Å; C40-A480 CarbonylContact O-C 3.53Å; C40-A480 WeakPolarHBondContact O-CA 3.47Å; C40-I481 PolarHBondContact N-O 2.85Å; C40-I481 PolarHBondContact O-N 2.96Å
41L98.7Very high90Very high4 Ų434.6 Ų34.62%0.02118%0.175CC..EExtended strand (participates in β ladder)trans-88.9119.6161.2-60.8172.9000107.3I17 R18 T478 L479 A480 A549 V552 L553 C640I17-L41 VanDerWaalsContact CA-O 3.29Å; I17-L41 WeakPolarHBondContact CA-O 3.21Å; R18-L41 HydrophobicContact CB-CB 4.49Å; R18-L41 PolarHBondContact N-O 2.74Å; R18-L41 PolarHBondContact O-N 2.97Å; L41-T478 HydrophobicContact CB-CG2 3.68Å; L41-T478 HydrophobicContact CD2-CG2 4.44Å; L41-L479 CarbonylContact C-O 3.56Å; L41-L479 WeakPolarHBondContact CA-O 3.32Å; L41-A480 HydrophobicContact CD2-CB 4.12Å; L41-A549 HydrophobicContact CD1-CB 4.38Å; L41-V552 HydrophobicContact CD1-CB 3.9Å; L41-V552 HydrophobicContact CD1-CG1 3.87Å; L41-V552 HydrophobicContact CD1-CG2 4.43Å; L41-V552 HydrophobicContact CD2-CB 4.44Å; L41-V552 HydrophobicContact CD2-CG1 3.8Å; L41-V552 HydrophobicContact CG-CG1 4.47Å; L41-L553 HydrophobicContact CD2-CD2 4.05Å; L41-L553 HydrophobicContact CD2-CG 4.29Å; L41-L553 HydrophobicContact CG-CD2 4.41Å; L41-L553 HydrophobicContact CG-CG 4.36Å; L41-C640 HydrophobicContact CD1-CB 3.55Å
42Y98.4Very high89.1Confident0 Ų036 Ų360%018%0.184CC..EExtended strand (participates in β ladder)trans-120.6112.9-179.2177.6-123.2000111.2I17 L44 M428 T478 L479 I481 F509 T525I17-Y42 HydrophobicContact CB-CD2 4.41Å; I17-Y42 HydrophobicContact CD1-CD2 4.41Å; Y42-L44 HydrophobicContact CD1-CD2 3.91Å; Y42-L44 HydrophobicContact CE1-CD2 3.8Å; Y42-L44 PolarHBondContact O-N 3.5Å; Y42-M428 HydrophobicContact CD1-SD 3.84Å; Y42-M428 HydrophobicContact CE1-SD 3.78Å; Y42-T478 WeakPolarHBondContact O-CA 3.44Å; Y42-L479 PolarHBondContact N-O 2.74Å; Y42-L479 PolarHBondContact O-N 3.24Å; Y42-I481 HydrophobicContact CD1-CD1 4.34Å; Y42-F509 HydrophobicContact CD1-CB 4.33Å; Y42-F509 AromaticContact CD1-CD1 3.7Å; Y42-F509 HydrophobicContact CD1-CD1 3.7Å; Y42-F509 HydrophobicContact CD1-CE1 4.23Å; Y42-F509 AromaticContact CD1-CG 3.96Å; Y42-F509 HydrophobicContact CD1-CG 3.96Å; Y42-F509 HydrophobicContact CD2-CD2 4.29Å; Y42-F509 HydrophobicContact CD2-CE2 4.49Å; Y42-F509 HydrophobicContact CD2-CG 4.37Å; Y42-F509 HydrophobicContact CE1-CB 3.62Å; Y42-F509 AromaticContact CE1-CD1 3.88Å; Y42-F509 HydrophobicContact CE1-CD1 3.88Å; Y42-F509 AromaticContact CE1-CG 3.74Å; Y42-F509 HydrophobicContact CE1-CG 3.74Å; Y42-F509 HydrophobicContact CE2-CB 4.37Å; Y42-F509 HydrophobicContact CE2-CD2 4.17Å; Y42-F509 HydrophobicContact CE2-CG 4.19Å; Y42-F509 HydrophobicContact CG-CD1 4.09Å; Y42-F509 HydrophobicContact CG-CE1 4.26Å; Y42-F509 HydrophobicContact CG-CG 4.27Å; Y42-F509 AromaticContact CZ-CG 3.86Å; Y42-T525 HydrophobicContact CE2-CG2 4Å; Y42-T525 PolarHBondContact OH-OG1 3.43Å; Y42-T525 VanDerWaalsContact OH-OG1 3.14Å
43T97.4Very high88.5Confident8 Ų837.5 Ų37.55%0.04919%0.187CC..EExtended strand (participates in β ladder)trans-84.4101.8178-55.50000110G16 F45 K46 P475 T478G16-T43 PolarHBondContact O-N 2.73Å; T43-F45 PolarHBondContact O-N 2.84Å; T43-F45 VanDerWaalsContact O-N 3.14Å; T43-K46 HydrophobicContact CG2-CB 4.1Å; T43-K46 HydrophobicContact CG2-CD 4.37Å; T43-K46 PolarHBondContact O-N 2.81Å; T43-P475 WeakPolarHBondContact CG2-O 3.37Å; T43-T478 PolarHBondContact OG1-OG1 2.83Å
44L91Very high88.2Confident1 Ų133.9 Ų33.91%0.00517%0.17CC..THydrogen-bonded Turntrans-54.7-38.5-168.6-66.4168.7000113.8Y42 M428 L470 F473 T477 L479 R523Y42-L44 HydrophobicContact CD1-CD2 3.91Å; Y42-L44 HydrophobicContact CE1-CD2 3.8Å; Y42-L44 PolarHBondContact O-N 3.5Å; L44-M428 HydrophobicContact CD2-SD 3.72Å; L44-L470 HydrophobicContact CD1-CD1 3.79Å; L44-L470 HydrophobicContact CD1-CD2 4.06Å; L44-L470 HydrophobicContact CD1-CG 4.41Å; L44-L470 HydrophobicContact CD2-CD1 3.6Å; L44-L470 HydrophobicContact CG-CD1 4.31Å; L44-F473 HydrophobicContact CB-CD2 4.06Å; L44-F473 HydrophobicContact CB-CE2 4.35Å; L44-F473 HydrophobicContact CD1-CB 3.96Å; L44-F473 HydrophobicContact CD1-CD1 4.46Å; L44-F473 HydrophobicContact CD1-CD2 4.26Å; L44-F473 HydrophobicContact CD1-CG 4Å; L44-T477 HydrophobicContact CD1-CG2 3.96Å; L44-T477 PolarHBondContact N-O 3.34Å; L44-T477 VanDerWaalsContact N-O 3.14Å; L44-L479 HydrophobicContact CD1-CD1 4.08Å; L44-L479 HydrophobicContact CD1-CG 4.12Å; L44-L479 HydrophobicContact CD2-CD1 3.89Å; L44-L479 HydrophobicContact CD2-CG 4.39Å; L44-L479 HydrophobicContact CG-CD1 4.24Å; L44-L479 HydrophobicContact CG-CG 4.26Å; L44-R523 WeakPolarHBondContact O-CD 3.4Å
45F84.4Confident87.9Confident7 Ų738.6 Ų38.63%0.03120%0.196CC..THydrogen-bonded Turntrans-128.841.2-169.8-171.1-131.1000111.6T43 E47 F473 P475 Y513T43-F45 PolarHBondContact O-N 2.84Å; T43-F45 VanDerWaalsContact O-N 3.14Å; F45-E47 PolarHBondContact O-N 2.83Å; F45-E47 VanDerWaalsContact O-N 3.09Å; F45-F473 HydrophobicContact CB-CD2 3.85Å; F45-F473 HydrophobicContact CB-CE2 3.88Å; F45-F473 HydrophobicContact CG-CE2 4.35Å; F45-P475 HydrophobicContact CD1-CB 4.33Å; F45-P475 HydrophobicContact CD1-CG 3.67Å; F45-P475 HydrophobicContact CE1-CG 3.88Å; F45-P475 WeakPolarHBondContact O-CA 3.17Å; F45-Y513 HydrophobicContact CD2-CE2 4.38Å; F45-Y513 HydrophobicContact CE2-CE2 4.32Å; F45-Y513 WeakPolarHBondContact CE2-OH 3.32Å
46K86.6Confident87.5Confident67 Ų6741.5 Ų41.529%0.29120%0.204SC..  trans-56.3119173.9-173.271.1174.4-174.50109.4T43 R523T43-K46 HydrophobicContact CG2-CB 4.1Å; T43-K46 HydrophobicContact CG2-CD 4.37Å; T43-K46 PolarHBondContact O-N 2.81Å; K46-R523 VanDerWaalsContact O-CZ 3.3Å; K46-R523 PolarHBondContact O-NH1 3.43Å; K46-R523 PolarHBondContact O-NH2 3.36Å
47E80.7Confident87.1Confident65 Ų6545 Ų4530%0.30422%0.223SC..  trans-65.4134.1179.9-75.4-177.3-179.600111.1F45 Y49 L421 P475F45-E47 PolarHBondContact O-N 2.83Å; F45-E47 VanDerWaalsContact O-N 3.09Å; E47-Y49 HydrophobicContact CB-CE2 4.33Å; E47-Y49 PolarHBondContact OE2-OH 2.64Å; E47-L421 WeakPolarHBondContact OE1-CD2 3.24Å; E47-P475 HydrophobicContact CG-CB 4.2Å; E47-P475 HydrophobicContact CG-CG 4.18Å
48R78.2Confident87Confident40 Ų4044.1 Ų44.115%0.15122%0.217CC..  trans-145.3127.9175.5-82.1-164.155.3176.7-0.5109.3N14 D50 F51N14-R48 VanDerWaalsContact O-CD 3.22Å; N14-R48 WeakPolarHBondContact O-CD 3.43Å; N14-R48 PolarHBondContact O-NH1 2.71Å; R48-D50 IonicContact CZ-OD1 2.61Å; R48-D50 IonicContact CZ-OD2 2.61Å; R48-D50 IonicContact NE-OD1 3.46Å; R48-D50 PolarHBondContact NE-OD1 3.14Å; R48-D50 IonicContact NE-OD2 3.46Å; R48-D50 IonicContact NH2-OD1 3.96Å; R48-D50 PolarHBondContact NH2-OD1 3.48Å; R48-D50 VanDerWaalsContact NH2-OD1 3.08Å; R48-D50 IonicContact NH2-OD2 3.43Å; R48-D50 PolarHBondContact NH2-OD2 3.07Å; R48-F51 HydrophobicContact CB-CD2 3.63Å; R48-F51 HydrophobicContact CB-CE2 3.31Å; R48-F51 HydrophobicContact CB-CG 4.48Å; R48-F51 HydrophobicContact CB-CZ 3.9Å; R48-F51 VanDerWaalsContact CD-CZ 3.46Å; R48-F51 HydrophobicContact CG-CE2 4.02Å; R48-F51 HydrophobicContact CG-CZ 4.2Å; R48-F51 VanDerWaalsContact CZ-CE1 3.48Å
49Y72.1Confident86.8Confident170 Ų17044.5 Ų44.567%0.66722%0.219SC*.SBendtrans-100-4-174.1-62.2-78.9000112.8E47E47-Y49 HydrophobicContact CB-CE2 4.33Å; E47-Y49 PolarHBondContact OE2-OH 2.64Å
50D75.3Confident86.7Confident95 Ų9546 Ų4651%0.50823%0.226SC..  trans-99.81.6-174.965.8-33000113.6R48R48-D50 IonicContact CZ-OD1 2.61Å; R48-D50 IonicContact CZ-OD2 2.61Å; R48-D50 IonicContact NE-OD1 3.46Å; R48-D50 PolarHBondContact NE-OD1 3.14Å; R48-D50 IonicContact NE-OD2 3.46Å; R48-D50 IonicContact NH2-OD1 3.96Å; R48-D50 PolarHBondContact NH2-OD1 3.48Å; R48-D50 VanDerWaalsContact NH2-OD1 3.08Å; R48-D50 IonicContact NH2-OD2 3.43Å; R48-D50 PolarHBondContact NH2-OD2 3.07Å
51F71.5Confident86.6Confident41 Ų4146 Ų4618%0.1823%0.226CC..  trans-74.1129.6175.2-66.9-46.9000111.6R48 T114R48-F51 HydrophobicContact CB-CD2 3.63Å; R48-F51 HydrophobicContact CB-CE2 3.31Å; R48-F51 HydrophobicContact CB-CG 4.48Å; R48-F51 HydrophobicContact CB-CZ 3.9Å; R48-F51 VanDerWaalsContact CD-CZ 3.46Å; R48-F51 HydrophobicContact CG-CE2 4.02Å; R48-F51 HydrophobicContact CG-CZ 4.2Å; R48-F51 VanDerWaalsContact CZ-CE1 3.48Å; F51-T114 HydrophobicContact CE1-CG2 4.46Å; F51-T114 WeakPolarHBondContact CE1-O 3.39Å; F51-T114 HydrophobicContact CE2-CG2 4.2Å; F51-T114 HydrophobicContact CZ-CG2 3.64Å
52P75.2Confident86.5Confident49 Ų4950.2 Ų50.232%0.31826%0.256SS..  trans-66146.2167.529-33.2000109.8I54 F112P52-I54 PolarHBondContact O-N 3.38Å; P52-F112 HydrophobicContact CG-CE2 4.08Å; P52-F112 HydrophobicContact CG-CZ 4.11Å
53P77.7Confident86.4Confident106 Ų10658.4 Ų58.469%0.68829%0.287SS*.  trans-66.7110.1174.627.2-33.2000110
54I87.8Confident86.3Confident3 Ų359.5 Ų59.52%0.01529%0.294CS..BIsolated β-bridgetrans-93.8105.7176.4-62-179.2000109.2P52 Y56 A106 L115 Y117 T118P52-I54 PolarHBondContact O-N 3.38Å; I54-Y56 HydrophobicContact CG2-CD1 4.11Å; I54-Y56 HydrophobicContact CG2-CD2 4.01Å; I54-Y56 HydrophobicContact CG2-CE1 3.78Å; I54-Y56 HydrophobicContact CG2-CE2 3.66Å; I54-Y56 HydrophobicContact CG2-CG 4.22Å; I54-A106 HydrophobicContact CD1-CB 3.96Å; I54-L115 HydrophobicContact CD1-CB 4.12Å; I54-L115 HydrophobicContact CD1-CD1 3.82Å; I54-L115 HydrophobicContact CD1-CD2 3.51Å; I54-L115 HydrophobicContact CD1-CG 4.02Å; I54-Y117 HydrophobicContact CB-CD1 4.32Å; I54-Y117 HydrophobicContact CG2-CD1 3.28Å; I54-Y117 HydrophobicContact CG2-CE1 3.68Å; I54-Y117 HydrophobicContact CG2-CG 4Å; I54-Y117 CarbonylContact O-C 3.58Å; I54-Y117 WeakPolarHBondContact O-CA 3.41Å; I54-T118 PolarHBondContact O-N 3.02Å
55N87.3Confident86.5Confident101 Ų10161.5 Ų61.554%0.5430%0.302SS..  trans-112.128.2-174.5-62.8-38.1000113.2T118N55-T118 VanDerWaalsContact OD1-CB 3.28Å; N55-T118 WeakPolarHBondContact OD1-CB 3.23Å; N55-T118 PolarHBondContact OD1-OG1 3.46Å; N55-T118 VanDerWaalsContact OD1-OG1 3.04Å
56Y86.5Confident87.1Confident87 Ų8761.1 Ų61.134%0.34130%0.3SS..SBendtrans-127.4164.8177.451.5-98.9000110.7I54 E107 Y117I54-Y56 HydrophobicContact CG2-CD1 4.11Å; I54-Y56 HydrophobicContact CG2-CD2 4.01Å; I54-Y56 HydrophobicContact CG2-CE1 3.78Å; I54-Y56 HydrophobicContact CG2-CE2 3.66Å; I54-Y56 HydrophobicContact CG2-CG 4.22Å; Y56-E107 WeakPolarHBondContact CE2-OE1 3.29Å; Y56-E107 PolarHBondContact OH-OE2 2.82Å; Y56-Y117 HydrophobicContact CE2-CE1 4.41Å
57D89Confident87.6Confident73 Ų7358 Ų5839%0.3929%0.287SS..PPolyproline II helixtrans-69.3138.3-178.7-76.8-57.8000112Y232D57-Y232 PolarHBondContact OD1-OH 2.93Å
58P93.2Very high88.4Confident9 Ų955 Ų556%0.05827%0.273CS..PPolyproline II helixtrans-66.615217529.4-37.7000112.1F60 I67 Y117 Y232 L522P58-F60 HydrophobicContact CB-CE2 4.36Å; P58-F60 HydrophobicContact CB-CZ 4.25Å; P58-F60 HydrophobicContact CG-CE1 4.45Å; P58-F60 HydrophobicContact CG-CE2 3.62Å; P58-F60 HydrophobicContact CG-CZ 3.46Å; P58-F60 VanDerWaalsContact CG-CZ 3.46Å; P58-F60 WeakPolarHBondContact O-CD2 3.33Å; P58-F60 VanDerWaalsContact O-CE2 3.31Å; P58-F60 WeakPolarHBondContact O-CE2 3.28Å; P58-I67 HydrophobicContact CB-CD1 4.41Å; P58-I67 HydrophobicContact CB-CG2 3.87Å; P58-Y117 HydrophobicContact CB-CD1 3.96Å; P58-Y117 HydrophobicContact CB-CD2 4.47Å; P58-Y117 HydrophobicContact CB-CE1 3.71Å; P58-Y117 HydrophobicContact CB-CE2 4.26Å; P58-Y117 HydrophobicContact CB-CG 4.37Å; P58-Y232 HydrophobicContact CG-CD1 4.5Å; P58-Y232 HydrophobicContact CG-CE1 4.25Å; P58-L522 HydrophobicContact CB-CD2 4.35Å; P58-L522 HydrophobicContact CG-CD2 3.68Å
59V95.1Very high89.3Confident8 Ų853.3 Ų53.35%0.04827%0.267CS..PPolyproline II helixtrans-91.8119.2177.6-179.70000111.4I67 L68 W81 P93 Y96V59-I67 CarbonylContact O-C 3.53Å; V59-I67 WeakPolarHBondContact O-CA 3.33Å; V59-L68 HydrophobicContact CB-CB 3.95Å; V59-L68 HydrophobicContact CB-CD2 4.22Å; V59-L68 HydrophobicContact CG1-CB 4.38Å; V59-L68 HydrophobicContact CG1-CD2 4.5Å; V59-L68 PolarHBondContact O-N 2.71Å; V59-W81 HydrophobicContact CG1-CZ2 4Å; V59-P93 HydrophobicContact CB-CG 4.47Å; V59-P93 HydrophobicContact CG1-CG 3.92Å; V59-P93 HydrophobicContact CG2-CG 3.74Å; V59-Y96 HydrophobicContact CG2-CD2 4.47Å; V59-Y96 HydrophobicContact CG2-CE2 3.5Å; V59-Y96 VanDerWaalsContact CG2-CE2 3.5Å
60F96.2Very high90.4Very high33 Ų3346.6 Ų46.615%0.14524%0.244CC..BIsolated β-bridgetrans-96.3145.2-177.8-63.4-83.2000112.8P58 G66 I67 Y232P58-F60 HydrophobicContact CB-CE2 4.36Å; P58-F60 HydrophobicContact CB-CZ 4.25Å; P58-F60 HydrophobicContact CG-CE1 4.45Å; P58-F60 HydrophobicContact CG-CE2 3.62Å; P58-F60 HydrophobicContact CG-CZ 3.46Å; P58-F60 VanDerWaalsContact CG-CZ 3.46Å; P58-F60 WeakPolarHBondContact O-CD2 3.33Å; P58-F60 VanDerWaalsContact O-CE2 3.31Å; P58-F60 WeakPolarHBondContact O-CE2 3.28Å; F60-G66 CarbonylContact C-O 3.58Å; F60-I67 HydrophobicContact CD1-CG1 3.78Å; F60-I67 HydrophobicContact CE1-CD1 3.82Å; F60-I67 HydrophobicContact CE1-CG1 3.53Å; F60-I67 HydrophobicContact CZ-CD1 4.37Å; F60-I67 HydrophobicContact CZ-CG1 4.31Å; F60-Y232 HydrophobicContact CE1-CD1 4.2Å; F60-Y232 AromaticContact CE2-CD1 3.46Å; F60-Y232 HydrophobicContact CE2-CD1 3.46Å; F60-Y232 VanDerWaalsContact CE2-CD1 3.46Å; F60-Y232 AromaticContact CE2-CE1 3.82Å; F60-Y232 HydrophobicContact CE2-CE1 3.82Å; F60-Y232 HydrophobicContact CE2-CG 4.49Å; F60-Y232 AromaticContact CZ-CD1 3.13Å; F60-Y232 HydrophobicContact CZ-CD1 3.13Å; F60-Y232 AromaticContact CZ-CE1 3.87Å; F60-Y232 HydrophobicContact CZ-CE1 3.87Å; F60-Y232 AromaticContact CZ-CG 3.76Å; F60-Y232 HydrophobicContact CZ-CG 3.76Å
61C97.3Very high91.4Very high0 Ų044.8 Ų44.80%023%0.23CC..PPolyproline II helixtrans-67.5131.5161.8178.10000109.8R63 R65 G66 W81 C83C61-R63 PolarHBondContact O-N 2.99Å; C61-R63 PolarHBondContact SG-N 2.92Å; C61-R65 VanDerWaalsContact O-CA 3.29Å; C61-R65 WeakPolarHBondContact O-CA 3.31Å; C61-R65 PolarHBondContact O-N 3.15Å; C61-R65 VanDerWaalsContact O-N 3.13Å; C61-G66 WeakPolarHBondContact CB-O 3.37Å; C61-G66 PolarHBondContact N-O 3.24Å; C61-W81 HydrophobicContact CB-CH2 3.75Å; C61-W81 HydrophobicContact CB-CZ2 4.47Å; C61-W81 HydrophobicContact CB-CZ3 4.48Å; C61-C83 HydrophobicContact CB-CB 3.94Å
62S96.4Very high92.6Very high92 Ų9243 Ų4364%0.64322%0.222SC*.THydrogen-bonded Turntrans-58.1-26177.656.40000114.4N90S62-N90 WeakPolarHBondContact CB-OD1 3.22Å; S62-N90 PolarHBondContact N-OD1 3.43Å; S62-N90 PolarHBondContact OG-OD1 3.13Å
63R95.3Very high93.5Very high172 Ų17243.9 Ų43.965%0.64923%0.228SC*.THydrogen-bonded Turntrans-100.4-63-176.1-170.6179.2-167.81765.6113.8C61 T88C61-R63 PolarHBondContact O-N 2.99Å; C61-R63 PolarHBondContact SG-N 2.92Å; R63-T88 HydrophobicContact CB-CG2 3.99Å; R63-T88 WeakPolarHBondContact CD-OG1 3.42Å
64C95.1Very high94.3Very high30 Ų3042.4 Ų42.420%0.20321%0.211CC..THydrogen-bonded Turntrans-91.2-3.7-174.270.50000113.9G66 C86 K431C64-G66 PolarHBondContact O-N 3.23Å; C64-G66 VanDerWaalsContact O-N 3.08Å; C64-G66 PolarHBondContact SG-N 3.4Å; C64-C86 HydrophobicContact CB-CB 3.89Å; C64-C86 PolarHBondContact SG-SG 3.47Å; C64-K431 PolarHBondContact O-NZ 3.29Å
65R95.9Very high94.6Very high43 Ų4345.1 Ų45.116%0.16223%0.226CC..  trans55.221.3-172.6-58.6-68.5-64.3-166.5-0.9113.7C61 Y232 E235 K431C61-R65 VanDerWaalsContact O-CA 3.29Å; C61-R65 WeakPolarHBondContact O-CA 3.31Å; C61-R65 PolarHBondContact O-N 3.15Å; C61-R65 VanDerWaalsContact O-N 3.13Å; R65-Y232 PolarHBondContact NH2-O 3.47Å; R65-E235 IonicContact NH1-OE1 2.76Å; R65-E235 PolarHBondContact NH1-OE1 3.28Å; R65-K431 VanDerWaalsContact O-CE 3.3Å; R65-K431 WeakPolarHBondContact O-CE 3.36Å
66G96.8Very high94.8Very high0 Ų042.5 Ų42.50%021%0.211CC..PPolyproline II helixtrans-65.6148.9166.600000110.6F60 C61 C64F60-G66 CarbonylContact C-O 3.58Å; C61-G66 WeakPolarHBondContact CB-O 3.37Å; C61-G66 PolarHBondContact N-O 3.24Å; C64-G66 PolarHBondContact O-N 3.23Å; C64-G66 VanDerWaalsContact O-N 3.08Å; C64-G66 PolarHBondContact SG-N 3.4Å
67I97.4Very high95Very high1 Ų148.9 Ų48.91%0.00524%0.235CC..BIsolated β-bridgetrans-93.8141.7-176.2-63.8168.2000109.7P58 V59 F60 N69 Q508 V510 L522 V524P58-I67 HydrophobicContact CB-CD1 4.41Å; P58-I67 HydrophobicContact CB-CG2 3.87Å; V59-I67 CarbonylContact O-C 3.53Å; V59-I67 WeakPolarHBondContact O-CA 3.33Å; F60-I67 HydrophobicContact CD1-CG1 3.78Å; F60-I67 HydrophobicContact CE1-CD1 3.82Å; F60-I67 HydrophobicContact CE1-CG1 3.53Å; F60-I67 HydrophobicContact CZ-CD1 4.37Å; F60-I67 HydrophobicContact CZ-CG1 4.31Å; I67-N69 PolarHBondContact O-N 3.24Å; I67-N69 PolarHBondContact O-ND2 3Å; I67-Q508 PolarHBondContact O-NE2 3.45Å; I67-V510 HydrophobicContact CD1-CG1 3.85Å; I67-V510 HydrophobicContact CD1-CG2 4.17Å; I67-L522 HydrophobicContact CD1-CD2 3.77Å; I67-V524 HydrophobicContact CB-CG1 4.15Å; I67-V524 HydrophobicContact CB-CG2 4.47Å; I67-V524 HydrophobicContact CD1-CG1 4.39Å; I67-V524 HydrophobicContact CD1-CG2 3.46Å; I67-V524 VanDerWaalsContact CD1-CG2 3.46Å; I67-V524 HydrophobicContact CG2-CG1 4.34Å; I67-V524 HydrophobicContact CG2-CG2 4.3Å
68L97.4Very high95.3Very high2 Ų248.1 Ų48.11%0.0123%0.232CC..PPolyproline II helixtrans-51.2136.8174.8-175.667.6000110.6V59 C72 W81 F92 Y96 E107 L108V59-L68 HydrophobicContact CB-CB 3.95Å; V59-L68 HydrophobicContact CB-CD2 4.22Å; V59-L68 HydrophobicContact CG1-CB 4.38Å; V59-L68 HydrophobicContact CG1-CD2 4.5Å; V59-L68 PolarHBondContact O-N 2.71Å; L68-C72 HydrophobicContact CD1-CB 3.99Å; L68-W81 HydrophobicContact CD1-CB 4.34Å; L68-W81 HydrophobicContact CD1-CD2 3.58Å; L68-W81 HydrophobicContact CD1-CE3 3.62Å; L68-W81 HydrophobicContact CD1-CG 3.9Å; L68-W81 HydrophobicContact CD1-CH2 4.46Å; L68-W81 HydrophobicContact CD1-CZ2 4.47Å; L68-W81 HydrophobicContact CD1-CZ3 4.05Å; L68-F92 HydrophobicContact CD1-CE1 4.36Å; L68-F92 HydrophobicContact CD2-CE1 3.9Å; L68-Y96 HydrophobicContact CD2-CE2 4.45Å; L68-E107 HydrophobicContact CB-CB 4.35Å; L68-E107 HydrophobicContact CD2-CB 3.89Å; L68-E107 HydrophobicContact CG-CB 3.95Å; L68-L108 HydrophobicContact CD1-CD2 3.93Å; L68-L108 HydrophobicContact CD2-CD2 4.31Å; L68-L108 HydrophobicContact CD2-CG 4.36Å; L68-L108 HydrophobicContact CG-CD2 4.11Å
69N96.5Very high95.3Very high5 Ų554.1 Ų54.13%0.02725%0.254CS..  trans-155.5169.2-175.863.678000110.1I67 Y71 C72 C84 E107 Q508 T526I67-N69 PolarHBondContact O-N 3.24Å; I67-N69 PolarHBondContact O-ND2 3Å; N69-Y71 PolarHBondContact O-N 3.34Å; N69-Y71 WeakPolarHBondContact OD1-CB 3.27Å; N69-Y71 WeakPolarHBondContact OD1-CD2 3.25Å; N69-Y71 PolarHBondContact OD1-N 2.71Å; N69-Y71 VanDerWaalsContact OD1-N 3.08Å; N69-C72 PolarHBondContact ND2-SG 2.61Å; N69-C72 WeakPolarHBondContact O-CB 3.3Å; N69-C72 PolarHBondContact O-N 2.83Å; N69-C84 PolarHBondContact ND2-SG 2.85Å; N69-E107 CarbonylContact C-O 3.5Å; N69-E107 VanDerWaalsContact CA-O 3.26Å; N69-E107 WeakPolarHBondContact CA-O 3.49Å; N69-Q508 PolarHBondContact ND2-NE2 2.73Å; N69-T526 HydrophobicContact CB-CG2 4.35Å
70P95.7Very high95.3Very high28 Ų2854.4 Ų54.418%0.18226%0.256CS..THydrogen-bonded Turntrans-64.7-15.8-171.5-25.135.7000114.8E107 M109 F112P70-E107 WeakPolarHBondContact CD-O 3.35Å; P70-E107 WeakPolarHBondContact CG-O 3.43Å; P70-M109 WeakPolarHBondContact CG-O 3.43Å; P70-F112 WeakPolarHBondContact CG-O 3.36Å
71Y96.1Very high95.4Very high58 Ų5852.9 Ų52.923%0.22725%0.249CC..THydrogen-bonded Turntrans-87.1-5.8178.6-51.8-67.2000113.8N69 P73 T113 Y506 T526 C528N69-Y71 PolarHBondContact O-N 3.34Å; N69-Y71 WeakPolarHBondContact OD1-CB 3.27Å; N69-Y71 WeakPolarHBondContact OD1-CD2 3.25Å; N69-Y71 PolarHBondContact OD1-N 2.71Å; N69-Y71 VanDerWaalsContact OD1-N 3.08Å; Y71-P73 VanDerWaalsContact O-CD 3.31Å; Y71-P73 WeakPolarHBondContact O-CD 3.4Å; Y71-T113 HydrophobicContact CE2-CG2 4.07Å; Y71-T113 VanDerWaalsContact OH-CG2 3.25Å; Y71-T113 WeakPolarHBondContact OH-CG2 3.48Å; Y71-Y506 HydrophobicContact CD1-CE1 4.39Å; Y71-Y506 HydrophobicContact CD2-CD1 4.42Å; Y71-Y506 HydrophobicContact CD2-CE1 4.49Å; Y71-Y506 HydrophobicContact CG-CD1 4.31Å; Y71-Y506 AromaticContact CG-CE1 3.93Å; Y71-Y506 HydrophobicContact CG-CE1 3.93Å; Y71-T526 HydrophobicContact CD2-CG2 3.72Å; Y71-T526 HydrophobicContact CE2-CG2 4.06Å; Y71-T526 WeakPolarHBondContact CE2-O 3.47Å; Y71-C528 VanDerWaalsContact CE1-SG 3.55Å
72C96Very high95.3Very high2 Ų255 Ų551%0.01426%0.262CS..SBendtrans-78.3117.4177.1-67.90000110.1L68 N69 F74 W81 T82 C84L68-C72 HydrophobicContact CD1-CB 3.99Å; N69-C72 PolarHBondContact ND2-SG 2.61Å; N69-C72 WeakPolarHBondContact O-CB 3.3Å; N69-C72 PolarHBondContact O-N 2.83Å; C72-F74 PolarHBondContact O-N 3.11Å; C72-W81 HydrophobicContact CB-CE3 3.89Å; C72-W81 HydrophobicContact CB-CZ3 4.38Å; C72-T82 WeakPolarHBondContact CA-O 3.31Å; C72-T82 WeakPolarHBondContact CB-O 3.41Å; C72-C84 VanDerWaalsContact SG-SG 3.68Å
73P94.6Very high95.3Very high68 Ų6850.7 Ų50.744%0.44223%0.232SC..  trans-60.9138.5172.7-21.233.8000110.4Y71 W81 T82Y71-P73 VanDerWaalsContact O-CD 3.31Å; Y71-P73 WeakPolarHBondContact O-CD 3.4Å; P73-W81 CarbonylContact O-C 3.59Å; P73-W81 VanDerWaalsContact O-CA 3.3Å; P73-W81 WeakPolarHBondContact O-CA 3.4Å; P73-T82 WeakPolarHBondContact CD-O 3.1Å; P73-T82 PolarHBondContact O-N 3.3Å
74F94.4Very high95.3Very high76 Ų7642.8 Ų42.833%0.33320%0.203SC..EExtended strand (participates in β ladder)trans-136.6154.3-179.265.6-86.7000112.3C72 I76 T80 W81 F92 L104 L108C72-F74 PolarHBondContact O-N 3.11Å; F74-I76 HydrophobicContact CD2-CG1 4.01Å; F74-I76 HydrophobicContact CE2-CD1 4.13Å; F74-I76 HydrophobicContact CE2-CG1 3.89Å; F74-T80 WeakPolarHBondContact CA-O 3.49Å; F74-W81 HydrophobicContact CB-CB 4Å; F74-F92 HydrophobicContact CB-CE2 3.95Å; F74-F92 HydrophobicContact CB-CZ 3.66Å; F74-F92 HydrophobicContact CG-CZ 4.34Å; F74-L104 HydrophobicContact CE2-CD2 3.7Å; F74-L104 HydrophobicContact CZ-CD1 4.1Å; F74-L104 HydrophobicContact CZ-CD2 3.72Å; F74-L108 HydrophobicContact CD1-CD1 3.92Å; F74-L108 HydrophobicContact CD1-CD2 3.89Å; F74-L108 HydrophobicContact CD1-CG 4.42Å; F74-L108 HydrophobicContact CD2-CD1 4.14Å; F74-L108 HydrophobicContact CE1-CB 4.37Å; F74-L108 HydrophobicContact CE1-CD1 4.07Å; F74-L108 HydrophobicContact CE1-CD2 4.24Å; F74-L108 HydrophobicContact CE1-CG 4.47Å; F74-L108 HydrophobicContact CE2-CD1 4.28Å; F74-L108 HydrophobicContact CG-CD1 3.96Å; F74-L108 HydrophobicContact CZ-CD1 4.26Å
75D94Very high95.4Very high59 Ų5941.7 Ų41.732%0.31620%0.195SC..EExtended strand (participates in β ladder)trans-129113.7175.4173.8-3.7000108.6R77 T78 R79 T80D75-R77 WeakPolarHBondContact OD1-CA 3.45Å; D75-R77 WeakPolarHBondContact OD1-CB 3.37Å; D75-R77 PolarHBondContact OD1-N 2.87Å; D75-T78 WeakPolarHBondContact CB-OG1 3.4Å; D75-T78 PolarHBondContact OD1-N 3.01Å; D75-T78 WeakPolarHBondContact OD2-CB 3.25Å; D75-T78 WeakPolarHBondContact OD2-CG2 3.37Å; D75-T78 PolarHBondContact OD2-OG1 2.88Å; D75-R79 WeakPolarHBondContact O-CA 3.4Å; D75-R79 PolarHBondContact O-N 3.2Å; D75-T80 PolarHBondContact N-O 3.13Å; D75-T80 PolarHBondContact O-N 2.84Å; D75-T80 VanDerWaalsContact O-N 3.09Å
76I91.7Very high95.3Very high46 Ų4640.1 Ų40.124%0.23619%0.191CC..THydrogen-bonded Turntrans-66.4-38.6-178.8-60.4172.6000110.8F74 R79 M99 E101F74-I76 HydrophobicContact CD2-CG1 4.01Å; F74-I76 HydrophobicContact CE2-CD1 4.13Å; F74-I76 HydrophobicContact CE2-CG1 3.89Å; I76-R79 WeakPolarHBondContact O-CG 3.38Å; I76-R79 PolarHBondContact O-N 2.82Å; I76-M99 HydrophobicContact CG1-CE 4.09Å; I76-E101 HydrophobicContact CD1-CB 4.35Å; I76-E101 HydrophobicContact CD1-CG 3.5Å; I76-E101 VanDerWaalsContact CD1-CG 3.5Å
77R91.9Very high95.2Very high222 Ų22243.4 Ų43.484%0.83821%0.208SC*.THydrogen-bonded Turntrans-67.1-45.2-176.1-175.8-178.166.6150.80.1111D75 R79D75-R77 WeakPolarHBondContact OD1-CA 3.45Å; D75-R77 WeakPolarHBondContact OD1-CB 3.37Å; D75-R77 PolarHBondContact OD1-N 2.87Å; R77-R79 VanDerWaalsContact C-N 3.29Å
78T93.7Very high95.1Very high56 Ų5644.7 Ų44.734%0.34422%0.216SC..THydrogen-bonded Turntrans-84-6.717760.50000113.1D75 T80 R89D75-T78 WeakPolarHBondContact CB-OG1 3.4Å; D75-T78 PolarHBondContact OD1-N 3.01Å; D75-T78 WeakPolarHBondContact OD2-CB 3.25Å; D75-T78 WeakPolarHBondContact OD2-CG2 3.37Å; D75-T78 PolarHBondContact OD2-OG1 2.88Å; T78-T80 VanDerWaalsContact C-N 3.27Å; T78-T80 WeakPolarHBondContact O-CG2 3.28Å; T78-T80 PolarHBondContact O-N 3.12Å; T78-T80 PolarHBondContact OG1-OG1 3.02Å; T78-R89 PolarHBondContact OG1-NH2 3.07Å
79R93.5Very high95.1Very high136 Ų13651.6 Ų51.651%0.51324%0.242SC..THydrogen-bonded Turntrans5146.4-173.2-62.3-177.4173.9175-1.1112D75 I76 R77 F92 A97D75-R79 WeakPolarHBondContact O-CA 3.4Å; D75-R79 PolarHBondContact O-N 3.2Å; I76-R79 WeakPolarHBondContact O-CG 3.38Å; I76-R79 PolarHBondContact O-N 2.82Å; R77-R79 VanDerWaalsContact C-N 3.29Å; R79-F92 VanDerWaalsContact C-CD2 3.43Å; R79-F92 HydrophobicContact CB-CD2 4.49Å; R79-F92 PolarHBondContact O-N 3.31Å; R79-A97 PolarHBondContact NH2-O 2.84Å
80T96.2Very high95.1Very high14 Ų1452 Ų529%0.08624%0.244CC..EExtended strand (participates in β ladder)trans-128.7157.2178.662.90000112.4F74 D75 T78 R89 N90 F92F74-T80 WeakPolarHBondContact CA-O 3.49Å; D75-T80 PolarHBondContact N-O 3.13Å; D75-T80 PolarHBondContact O-N 2.84Å; D75-T80 VanDerWaalsContact O-N 3.09Å; T78-T80 VanDerWaalsContact C-N 3.27Å; T78-T80 WeakPolarHBondContact O-CG2 3.28Å; T78-T80 PolarHBondContact O-N 3.12Å; T78-T80 PolarHBondContact OG1-OG1 3.02Å; T80-R89 PolarHBondContact OG1-NE 2.85Å; T80-R89 PolarHBondContact OG1-NH2 3.08Å; T80-N90 CarbonylContact C-O 3.57Å; T80-N90 WeakPolarHBondContact CA-O 3.16Å; T80-N90 VanDerWaalsContact CB-O 3.25Å; T80-N90 WeakPolarHBondContact CB-O 3.24Å; T80-F92 WeakPolarHBondContact O-CE2 3.29Å
81W96.9Very high95.2Very high1 Ų155 Ų550%0.00427%0.265CS..EExtended strand (participates in β ladder)trans-138.7151.8173.164.1-83.7000110.7V59 C61 L68 C72 P73 F74 C83 R89 N90 F92V59-W81 HydrophobicContact CG1-CZ2 4Å; C61-W81 HydrophobicContact CB-CH2 3.75Å; C61-W81 HydrophobicContact CB-CZ2 4.47Å; C61-W81 HydrophobicContact CB-CZ3 4.48Å; L68-W81 HydrophobicContact CD1-CB 4.34Å; L68-W81 HydrophobicContact CD1-CD2 3.58Å; L68-W81 HydrophobicContact CD1-CE3 3.62Å; L68-W81 HydrophobicContact CD1-CG 3.9Å; L68-W81 HydrophobicContact CD1-CH2 4.46Å; L68-W81 HydrophobicContact CD1-CZ2 4.47Å; L68-W81 HydrophobicContact CD1-CZ3 4.05Å; C72-W81 HydrophobicContact CB-CE3 3.89Å; C72-W81 HydrophobicContact CB-CZ3 4.38Å; P73-W81 CarbonylContact O-C 3.59Å; P73-W81 VanDerWaalsContact O-CA 3.3Å; P73-W81 WeakPolarHBondContact O-CA 3.4Å; F74-W81 HydrophobicContact CB-CB 4Å; W81-C83 HydrophobicContact CE3-CB 4.31Å; W81-C83 HydrophobicContact CH2-CB 4.25Å; W81-C83 HydrophobicContact CZ3-CB 3.61Å; W81-R89 CarbonylContact O-C 3.45Å; W81-R89 WeakPolarHBondContact O-CA 3.36Å; W81-N90 HydrophobicContact CD2-CB 4.06Å; W81-N90 VanDerWaalsContact CE2-CB 3.49Å; W81-N90 HydrophobicContact CG-CB 4.4Å; W81-N90 HydrophobicContact CZ2-CB 3.79Å; W81-N90 PolarHBondContact N-O 3.26Å; W81-N90 PolarHBondContact O-N 2.99Å; W81-F92 HydrophobicContact CB-CE1 4.07Å; W81-F92 HydrophobicContact CB-CE2 4.15Å; W81-F92 HydrophobicContact CB-CZ 3.68Å; W81-F92 AromaticContact CD1-CD1 3.64Å; W81-F92 AromaticContact CD1-CE1 3.58Å; W81-F92 AromaticContact CD1-CZ 3.97Å; W81-F92 HydrophobicContact CG-CD1 4.48Å; W81-F92 AromaticContact CG-CE1 4Å; W81-F92 HydrophobicContact CG-CE1 4Å; W81-F92 HydrophobicContact CG-CZ 4.11Å
82T96.6Very high95.2Very high45 Ų4553.1 Ų53.128%0.27626%0.259SS..EExtended strand (participates in β ladder)trans-107.9125.3178.2-610000109C72 P73 C84C72-T82 WeakPolarHBondContact CA-O 3.31Å; C72-T82 WeakPolarHBondContact CB-O 3.41Å; P73-T82 WeakPolarHBondContact CD-O 3.1Å; P73-T82 PolarHBondContact O-N 3.3Å; T82-C84 PolarHBondContact O-N 3.14Å
83C96.6Very high95Very high0 Ų054.5 Ų54.50%027%0.268CS..  trans-69.4119.4179.71780000110.9C61 W81 L85 C86 N87 T88C61-C83 HydrophobicContact CB-CB 3.94Å; W81-C83 HydrophobicContact CE3-CB 4.31Å; W81-C83 HydrophobicContact CH2-CB 4.25Å; W81-C83 HydrophobicContact CZ3-CB 3.61Å; C83-L85 PolarHBondContact O-N 3.07Å; C83-L85 VanDerWaalsContact O-N 3.16Å; C83-C86 PolarHBondContact O-N 3.05Å; C83-N87 VanDerWaalsContact O-CA 3.28Å; C83-N87 WeakPolarHBondContact O-CA 3.37Å; C83-N87 PolarHBondContact O-N 2.91Å; C83-T88 PolarHBondContact N-O 3.38Å
84C95.3Very high94.9Very high7 Ų756.9 Ų56.95%0.04728%0.283CS..THydrogen-bonded Turntrans-60.8-22.417959.20000114.2N69 C72 T82 Y506N69-C84 PolarHBondContact ND2-SG 2.85Å; C72-C84 VanDerWaalsContact SG-SG 3.68Å; T82-C84 PolarHBondContact O-N 3.14Å; C84-Y506 HydrophobicContact CB-CD1 4.18Å; C84-Y506 HydrophobicContact CB-CD2 4.19Å; C84-Y506 HydrophobicContact CB-CE1 4.12Å; C84-Y506 HydrophobicContact CB-CE2 4.11Å; C84-Y506 HydrophobicContact CB-CG 4.23Å; C84-Y506 VanDerWaalsContact O-CD2 3.31Å; C84-Y506 WeakPolarHBondContact O-CD2 3.19Å
85L95.9Very high94.6Very high6 Ų659 Ų593%0.03129%0.294CS..THydrogen-bonded Turntrans-81.6-36.6-179.4-54.8177.6000112.9C83 K431 S433 Q508C83-L85 PolarHBondContact O-N 3.07Å; C83-L85 VanDerWaalsContact O-N 3.16Å; L85-K431 HydrophobicContact CD1-CB 3.9Å; L85-K431 HydrophobicContact CD1-CD 4.31Å; L85-S433 WeakPolarHBondContact O-CA 3.13Å; L85-Q508 HydrophobicContact CD1-CB 4.02Å; L85-Q508 HydrophobicContact CD2-CB 4.34Å
86C94.6Very high94.4Very high11 Ų1157.4 Ų57.47%0.07428%0.284CS..THydrogen-bonded Turntrans-131-0.5-17174.90000115.5C64 C83 T88C64-C86 HydrophobicContact CB-CB 3.89Å; C64-C86 PolarHBondContact SG-SG 3.47Å; C83-C86 PolarHBondContact O-N 3.05Å; C86-T88 PolarHBondContact O-N 3.27Å; C86-T88 VanDerWaalsContact SG-CB 3.58Å; C86-T88 PolarHBondContact SG-OG1 3.24Å
87N93.7Very high94.1Very high69 Ų6957.4 Ų57.437%0.36929%0.29SS..  trans59.919.6-178.3-60.9-29.5000115C83 G500C83-N87 VanDerWaalsContact O-CA 3.28Å; C83-N87 WeakPolarHBondContact O-CA 3.37Å; C83-N87 PolarHBondContact O-N 2.91Å; N87-G500 PolarHBondContact ND2-O 3.04Å; N87-G500 PolarHBondContact OD1-O 3.1Å
88T95.8Very high93.9Very high27 Ų2749.5 Ų49.517%0.16628%0.278CS..  trans-80.5131.2174.6-57.60000109.7R63 C83 C86 N90R63-T88 HydrophobicContact CB-CG2 3.99Å; R63-T88 WeakPolarHBondContact CD-OG1 3.42Å; C83-T88 PolarHBondContact N-O 3.38Å; C86-T88 PolarHBondContact O-N 3.27Å; C86-T88 VanDerWaalsContact SG-CB 3.58Å; C86-T88 PolarHBondContact SG-OG1 3.24Å; T88-N90 PolarHBondContact O-ND2 3.09Å
89R97.1Very high93.6Very high148 Ų14847.8 Ų47.856%0.55827%0.266SS*.EExtended strand (participates in β ladder)trans-78.4134.3172.4-169178.3-176.6-147.93.2110.2T78 T80 W81T78-R89 PolarHBondContact OG1-NH2 3.07Å; T80-R89 PolarHBondContact OG1-NE 2.85Å; T80-R89 PolarHBondContact OG1-NH2 3.08Å; W81-R89 CarbonylContact O-C 3.45Å; W81-R89 WeakPolarHBondContact O-CA 3.36Å
90N97.8Very high93.4Very high12 Ų1244.2 Ų44.26%0.06426%0.26CS..EExtended strand (participates in β ladder)trans-130.1155.4-179.3-54.8-85.6000109.2S62 T80 W81 T88S62-N90 WeakPolarHBondContact CB-OD1 3.22Å; S62-N90 PolarHBondContact N-OD1 3.43Å; S62-N90 PolarHBondContact OG-OD1 3.13Å; T80-N90 CarbonylContact C-O 3.57Å; T80-N90 WeakPolarHBondContact CA-O 3.16Å; T80-N90 VanDerWaalsContact CB-O 3.25Å; T80-N90 WeakPolarHBondContact CB-O 3.24Å; W81-N90 HydrophobicContact CD2-CB 4.06Å; W81-N90 VanDerWaalsContact CE2-CB 3.49Å; W81-N90 HydrophobicContact CG-CB 4.4Å; W81-N90 HydrophobicContact CZ2-CB 3.79Å; W81-N90 PolarHBondContact N-O 3.26Å; W81-N90 PolarHBondContact O-N 2.99Å; T88-N90 PolarHBondContact O-ND2 3.09Å
91S96.6Very high92.9Very high91 Ų9150.6 Ų50.664%0.63629%0.289SS*.EExtended strand (participates in β ladder)trans-88.8146.1170.7-61.20000110.4
92F95.8Very high92.4Very high20 Ų2058.4 Ų58.49%0.08833%0.325CS..PPolyproline II helixtrans-68.1141.6168.9-76-65.1000110.7L68 F74 R79 T80 W81 Y96 M99 L108L68-F92 HydrophobicContact CD1-CE1 4.36Å; L68-F92 HydrophobicContact CD2-CE1 3.9Å; F74-F92 HydrophobicContact CB-CE2 3.95Å; F74-F92 HydrophobicContact CB-CZ 3.66Å; F74-F92 HydrophobicContact CG-CZ 4.34Å; R79-F92 VanDerWaalsContact C-CD2 3.43Å; R79-F92 HydrophobicContact CB-CD2 4.49Å; R79-F92 PolarHBondContact O-N 3.31Å; T80-F92 WeakPolarHBondContact O-CE2 3.29Å; W81-F92 HydrophobicContact CB-CE1 4.07Å; W81-F92 HydrophobicContact CB-CE2 4.15Å; W81-F92 HydrophobicContact CB-CZ 3.68Å; W81-F92 AromaticContact CD1-CD1 3.64Å; W81-F92 AromaticContact CD1-CE1 3.58Å; W81-F92 AromaticContact CD1-CZ 3.97Å; W81-F92 HydrophobicContact CG-CD1 4.48Å; W81-F92 AromaticContact CG-CE1 4Å; W81-F92 HydrophobicContact CG-CE1 4Å; W81-F92 HydrophobicContact CG-CZ 4.11Å; F92-Y96 HydrophobicContact CB-CD2 4.44Å; F92-Y96 AromaticContact CD1-CD2 3.86Å; F92-Y96 HydrophobicContact CD1-CD2 3.86Å; F92-Y96 HydrophobicContact CD1-CE2 4.5Å; F92-Y96 HydrophobicContact CG-CD2 4.5Å; F92-M99 HydrophobicContact CD2-CE 3.74Å; F92-M99 HydrophobicContact CE1-CE 4.43Å; F92-M99 HydrophobicContact CE2-CE 3.46Å; F92-M99 VanDerWaalsContact CE2-CE 3.46Å; F92-M99 HydrophobicContact CG-CE 4.36Å; F92-M99 HydrophobicContact CZ-CE 3.82Å; F92-M99 HydrophobicContact CZ-SD 4.45Å; F92-L108 HydrophobicContact CE1-CD1 4.19Å; F92-L108 HydrophobicContact CZ-CD1 3.97Å
93P93Very high92.1Very high31 Ų3163.5 Ų63.520%0.20134%0.344CS..PPolyproline II helixtrans-61.5156.6172.2-27.638.2000113.5V59 Q95 Y96V59-P93 HydrophobicContact CB-CG 4.47Å; V59-P93 HydrophobicContact CG1-CG 3.92Å; V59-P93 HydrophobicContact CG2-CG 3.74Å; P93-Q95 HydrophobicContact CB-CG 4.34Å; P93-Q95 VanDerWaalsContact CB-NE2 3.26Å; P93-Q95 PolarHBondContact O-N 2.95Å; P93-Q95 VanDerWaalsContact O-N 3.12Å; P93-Y96 PolarHBondContact O-N 2.91Å
94P91.1Very high91.8Very high117 Ų11766 Ų6676%0.7636%0.357SS*.G310 helixtrans-56.1-30.7-177.6-26.835.4000115Y96 A97P94-Y96 PolarHBondContact O-N 2.64Å; P94-Y96 VanDerWaalsContact O-N 3.13Å; P94-A97 VanDerWaalsContact O-CB 3.22Å; P94-A97 WeakPolarHBondContact O-CB 3.38Å; P94-A97 PolarHBondContact O-N 2.84Å
95Q88.7Confident91.6Very high121 Ų12166.5 Ų66.557%0.56536%0.36SS*.G310 helixtrans-61.7-19.5178.364.2-90.827.800113.9P93P93-Q95 HydrophobicContact CB-CG 4.34Å; P93-Q95 VanDerWaalsContact CB-NE2 3.26Å; P93-Q95 PolarHBondContact O-N 2.95Å; P93-Q95 VanDerWaalsContact O-N 3.12Å
96Y90.2Very high91.3Very high26 Ų2666.8 Ų66.810%0.10236%0.363CS..G310 helixtrans-96.614.9176.1-60.3-35.2000113.4V59 L68 F92 P93 P94 G98 M99 P105 E107V59-Y96 HydrophobicContact CG2-CD2 4.47Å; V59-Y96 HydrophobicContact CG2-CE2 3.5Å; V59-Y96 VanDerWaalsContact CG2-CE2 3.5Å; L68-Y96 HydrophobicContact CD2-CE2 4.45Å; F92-Y96 HydrophobicContact CB-CD2 4.44Å; F92-Y96 AromaticContact CD1-CD2 3.86Å; F92-Y96 HydrophobicContact CD1-CD2 3.86Å; F92-Y96 HydrophobicContact CD1-CE2 4.5Å; F92-Y96 HydrophobicContact CG-CD2 4.5Å; P93-Y96 PolarHBondContact O-N 2.91Å; P94-Y96 PolarHBondContact O-N 2.64Å; P94-Y96 VanDerWaalsContact O-N 3.13Å; Y96-G98 PolarHBondContact O-N 3.5Å; Y96-G98 VanDerWaalsContact O-N 3.1Å; Y96-M99 VanDerWaalsContact O-CB 3.27Å; Y96-M99 WeakPolarHBondContact O-CB 3.27Å; Y96-M99 PolarHBondContact O-N 3.47Å; Y96-P105 HydrophobicContact CD1-CB 4.19Å; Y96-P105 HydrophobicContact CE1-CB 3.67Å; Y96-P105 HydrophobicContact CE1-CG 4.34Å; Y96-E107 PolarHBondContact OH-OE1 3.03Å; Y96-E107 PolarHBondContact OH-OE2 3.01Å
97A86Confident91.3Very high45 Ų4566.3 Ų66.337%0.37236%0.36SS..THydrogen-bonded Turntrans-57-27.3178.300000113.7R79 P94R79-A97 PolarHBondContact NH2-O 2.84Å; P94-A97 VanDerWaalsContact O-CB 3.22Å; P94-A97 WeakPolarHBondContact O-CB 3.38Å; P94-A97 PolarHBondContact O-N 2.84Å
98G86.2Confident91.3Very high57 Ų5763.5 Ų63.559%0.58835%0.345SS*.THydrogen-bonded Turntrans-93.712.9178.100000115.4Y96Y96-G98 PolarHBondContact O-N 3.5Å; Y96-G98 VanDerWaalsContact O-N 3.1Å
99M88.4Confident91.1Very high19 Ų1965.2 Ų65.29%0.09435%0.352CS..  trans-67.5134.2178.2-178178.76300111.1I76 F92 Y96 L104 P105 L108I76-M99 HydrophobicContact CG1-CE 4.09Å; F92-M99 HydrophobicContact CD2-CE 3.74Å; F92-M99 HydrophobicContact CE1-CE 4.43Å; F92-M99 HydrophobicContact CE2-CE 3.46Å; F92-M99 VanDerWaalsContact CE2-CE 3.46Å; F92-M99 HydrophobicContact CG-CE 4.36Å; F92-M99 HydrophobicContact CZ-CE 3.82Å; F92-M99 HydrophobicContact CZ-SD 4.45Å; Y96-M99 VanDerWaalsContact O-CB 3.27Å; Y96-M99 WeakPolarHBondContact O-CB 3.27Å; Y96-M99 PolarHBondContact O-N 3.47Å; M99-L104 HydrophobicContact CG-CD2 4.07Å; M99-L104 HydrophobicContact SD-CD2 4.05Å; M99-P105 WeakPolarHBondContact SD-CD 3.33Å; M99-P105 HydrophobicContact SD-CG 4.02Å; M99-L108 HydrophobicContact SD-CD1 3.8Å
100T88.8Confident90.7Very high62 Ų6262 Ų6238%0.3836%0.357SS..BIsolated β-bridgetrans-132.5170.6172.166.80000109.4Q102 K103 L104T100-Q102 PolarHBondContact O-N 3.46Å; T100-K103 PolarHBondContact N-O 2.78Å; T100-K103 CarbonylContact O-C 3.55Å; T100-K103 PolarHBondContact O-N 3.08Å; T100-K103 WeakPolarHBondContact OG1-CB 3.47Å; T100-K103 PolarHBondContact OG1-N 2.83Å; T100-L104 PolarHBondContact O-N 3.43Å
101E85.7Confident90.3Very high147 Ų14766.4 Ų66.469%0.68738%0.377SS*.THydrogen-bonded Turntrans-58.9-32.9177.3-67.5-177.2170.900112.6I76I76-E101 HydrophobicContact CD1-CB 4.35Å; I76-E101 HydrophobicContact CD1-CG 3.5Å; I76-E101 VanDerWaalsContact CD1-CG 3.5Å
102Q87.2Confident90Very high165 Ų16563.2 Ų63.277%0.77135%0.352SS*.THydrogen-bonded Turntrans-83.6-16.9177.3-60.374.523.600112.8T100T100-Q102 PolarHBondContact O-N 3.46Å
103K88.9Confident90Very high152 Ų15262.9 Ų62.966%0.66135%0.351SS*.BIsolated β-bridgetrans-128.766.3-176.4-166.4-178.6-179.7177.30110T100T100-K103 PolarHBondContact N-O 2.78Å; T100-K103 CarbonylContact O-C 3.55Å; T100-K103 PolarHBondContact O-N 3.08Å; T100-K103 WeakPolarHBondContact OG1-CB 3.47Å; T100-K103 PolarHBondContact OG1-N 2.83Å
104L90.8Very high90Very high53 Ų5361.4 Ų61.428%0.27734%0.342SS..  trans-78.7145.9173.4-65.8176000110.7F74 M99 T100 L108F74-L104 HydrophobicContact CE2-CD2 3.7Å; F74-L104 HydrophobicContact CZ-CD1 4.1Å; F74-L104 HydrophobicContact CZ-CD2 3.72Å; M99-L104 HydrophobicContact CG-CD2 4.07Å; M99-L104 HydrophobicContact SD-CD2 4.05Å; T100-L104 PolarHBondContact O-N 3.43Å; L104-L108 HydrophobicContact CB-CB 4.32Å; L104-L108 HydrophobicContact CD2-CD1 4.37Å
105P91Very high90.1Very high17 Ų1756.1 Ų56.111%0.1131%0.307CS..  trans-64.8157.5167.431.9-36.9000110.1Y96 M99 E107 L108Y96-P105 HydrophobicContact CD1-CB 4.19Å; Y96-P105 HydrophobicContact CE1-CB 3.67Å; Y96-P105 HydrophobicContact CE1-CG 4.34Å; M99-P105 WeakPolarHBondContact SD-CD 3.33Å; M99-P105 HydrophobicContact SD-CG 4.02Å; P105-E107 WeakPolarHBondContact CB-OE2 3.47Å; P105-E107 PolarHBondContact O-N 3.44Å; P105-E107 VanDerWaalsContact O-N 3.14Å; P105-L108 HydrophobicContact CG-CB 4.32Å; P105-L108 HydrophobicContact CG-CD1 3.87Å; P105-L108 HydrophobicContact CG-CG 4Å; P105-L108 PolarHBondContact O-N 2.9Å
106A90.9Very high90.3Very high13 Ų1351.4 Ų51.411%0.10729%0.285CS..G310 helixtrans-56-36-175.800000111.8I54 L108 M109 F112 L115I54-A106 HydrophobicContact CD1-CB 3.96Å; A106-L108 PolarHBondContact O-N 3.06Å; A106-L108 VanDerWaalsContact O-N 3.1Å; A106-M109 PolarHBondContact O-N 2.96Å; A106-M109 VanDerWaalsContact O-N 3.12Å; A106-F112 HydrophobicContact CB-CD2 3.99Å; A106-F112 HydrophobicContact CB-CE2 4.3Å; A106-F112 WeakPolarHBondContact O-CB 3.46Å; A106-F112 WeakPolarHBondContact O-CD2 3.4Å; A106-L115 HydrophobicContact CB-CD1 4.46Å
107E93.2Very high90.4Very high0 Ų050.3 Ų50.30%028%0.281CS..G310 helixtrans-59.9-21.1178.7-63.996.9141.600115.1Y56 L68 N69 P70 Y96 P105 L115 Y117Y56-E107 WeakPolarHBondContact CE2-OE1 3.29Å; Y56-E107 PolarHBondContact OH-OE2 2.82Å; L68-E107 HydrophobicContact CB-CB 4.35Å; L68-E107 HydrophobicContact CD2-CB 3.89Å; L68-E107 HydrophobicContact CG-CB 3.95Å; N69-E107 CarbonylContact C-O 3.5Å; N69-E107 VanDerWaalsContact CA-O 3.26Å; N69-E107 WeakPolarHBondContact CA-O 3.49Å; P70-E107 WeakPolarHBondContact CD-O 3.35Å; P70-E107 WeakPolarHBondContact CG-O 3.43Å; Y96-E107 PolarHBondContact OH-OE1 3.03Å; Y96-E107 PolarHBondContact OH-OE2 3.01Å; P105-E107 WeakPolarHBondContact CB-OE2 3.47Å; P105-E107 PolarHBondContact O-N 3.44Å; P105-E107 VanDerWaalsContact O-N 3.14Å; E107-L115 HydrophobicContact CB-CD1 4.37Å; E107-L115 HydrophobicContact CG-CD1 3.94Å; E107-Y117 WeakPolarHBondContact CG-OH 3.43Å
108L93.7Very high90.7Very high10 Ų1049.3 Ų49.35%0.05227%0.27CS..G310 helixtrans-104.3-1.6-178.4-65.5-178.9000112.9L68 F74 F92 M99 L104 P105 A106L68-L108 HydrophobicContact CD1-CD2 3.93Å; L68-L108 HydrophobicContact CD2-CD2 4.31Å; L68-L108 HydrophobicContact CD2-CG 4.36Å; L68-L108 HydrophobicContact CG-CD2 4.11Å; F74-L108 HydrophobicContact CD1-CD1 3.92Å; F74-L108 HydrophobicContact CD1-CD2 3.89Å; F74-L108 HydrophobicContact CD1-CG 4.42Å; F74-L108 HydrophobicContact CD2-CD1 4.14Å; F74-L108 HydrophobicContact CE1-CB 4.37Å; F74-L108 HydrophobicContact CE1-CD1 4.07Å; F74-L108 HydrophobicContact CE1-CD2 4.24Å; F74-L108 HydrophobicContact CE1-CG 4.47Å; F74-L108 HydrophobicContact CE2-CD1 4.28Å; F74-L108 HydrophobicContact CG-CD1 3.96Å; F74-L108 HydrophobicContact CZ-CD1 4.26Å; F92-L108 HydrophobicContact CE1-CD1 4.19Å; F92-L108 HydrophobicContact CZ-CD1 3.97Å; M99-L108 HydrophobicContact SD-CD1 3.8Å; L104-L108 HydrophobicContact CB-CB 4.32Å; L104-L108 HydrophobicContact CD2-CD1 4.37Å; P105-L108 HydrophobicContact CG-CB 4.32Å; P105-L108 HydrophobicContact CG-CD1 3.87Å; P105-L108 HydrophobicContact CG-CG 4Å; P105-L108 PolarHBondContact O-N 2.9Å; A106-L108 PolarHBondContact O-N 3.06Å; A106-L108 VanDerWaalsContact O-N 3.1Å
109M91.6Very high90.5Very high63 Ų6347.1 Ų47.131%0.3125%0.245SC..SBendtrans-76.9128.2177.2-61.2-179.670.500110.1P70 A106 Q111 F112P70-M109 WeakPolarHBondContact CG-O 3.43Å; A106-M109 PolarHBondContact O-N 2.96Å; A106-M109 VanDerWaalsContact O-N 3.12Å; M109-Q111 PolarHBondContact O-N 3.25Å; M109-Q111 VanDerWaalsContact O-N 3.11Å; M109-F112 HydrophobicContact CB-CB 4.4Å; M109-F112 HydrophobicContact CB-CD2 3.64Å; M109-F112 HydrophobicContact CB-CE2 4.22Å; M109-F112 HydrophobicContact CB-CG 4.21Å; M109-F112 HydrophobicContact CE-CE2 4Å; M109-F112 HydrophobicContact CG-CD2 4.13Å; M109-F112 HydrophobicContact CG-CE2 4.39Å; M109-F112 PolarHBondContact O-N 3.3Å; M109-F112 HydrophobicContact SD-CD2 3.73Å; M109-F112 HydrophobicContact SD-CE2 3.41Å; M109-F112 WeakPolarHBondContact SD-CE2 2.98Å; M109-F112 HydrophobicContact SD-CZ 4.46Å
110A89.8Confident89.9Confident80 Ų8048.5 Ų48.566%0.66126%0.255SS*.THydrogen-bonded Turntrans-56.3-33.6-170.900000114.5F112A110-F112 VanDerWaalsContact C-N 3.32Å
111Q88.5Confident88.9Confident105 Ų10554.1 Ų54.149%0.49127%0.274SS..THydrogen-bonded Turntrans-77.9-10.4178.663.6-93.532.200114.9M109 T113M109-Q111 PolarHBondContact O-N 3.25Å; M109-Q111 VanDerWaalsContact O-N 3.11Å; Q111-T113 PolarHBondContact O-N 2.84Å
112F91.4Very high88.2Confident25 Ų2548.9 Ų48.911%0.1125%0.252CS..  trans-100.953.1-175.7-66.6-22.6000111.6P52 P70 A106 M109 A110 T114 L115P52-F112 HydrophobicContact CG-CE2 4.08Å; P52-F112 HydrophobicContact CG-CZ 4.11Å; P70-F112 WeakPolarHBondContact CG-O 3.36Å; A106-F112 HydrophobicContact CB-CD2 3.99Å; A106-F112 HydrophobicContact CB-CE2 4.3Å; A106-F112 WeakPolarHBondContact O-CB 3.46Å; A106-F112 WeakPolarHBondContact O-CD2 3.4Å; M109-F112 HydrophobicContact CB-CB 4.4Å; M109-F112 HydrophobicContact CB-CD2 3.64Å; M109-F112 HydrophobicContact CB-CE2 4.22Å; M109-F112 HydrophobicContact CB-CG 4.21Å; M109-F112 HydrophobicContact CE-CE2 4Å; M109-F112 HydrophobicContact CG-CD2 4.13Å; M109-F112 HydrophobicContact CG-CE2 4.39Å; M109-F112 PolarHBondContact O-N 3.3Å; M109-F112 HydrophobicContact SD-CD2 3.73Å; M109-F112 HydrophobicContact SD-CE2 3.41Å; M109-F112 WeakPolarHBondContact SD-CE2 2.98Å; M109-F112 HydrophobicContact SD-CZ 4.46Å; A110-F112 VanDerWaalsContact C-N 3.32Å; F112-T114 VanDerWaalsContact C-N 3.26Å; F112-L115 HydrophobicContact CB-CD1 4.32Å; F112-L115 HydrophobicContact CB-CD2 3.68Å; F112-L115 HydrophobicContact CB-CG 4Å; F112-L115 HydrophobicContact CD1-CD2 4.46Å; F112-L115 HydrophobicContact CD2-CD2 4.23Å; F112-L115 HydrophobicContact CG-CD2 3.9Å
113T94.5Very high87.4Confident12 Ų1244.6 Ų44.67%0.07423%0.232CC..SBendtrans-66.1-29.9171.846.60000112.4D15 Y71 Q111 T526D15-T113 VanDerWaalsContact CG-OG1 3.29Å; D15-T113 WeakPolarHBondContact OD1-CB 3.32Å; D15-T113 PolarHBondContact OD1-OG1 2.86Å; D15-T113 PolarHBondContact OD2-OG1 2.85Å; Y71-T113 HydrophobicContact CE2-CG2 4.07Å; Y71-T113 VanDerWaalsContact OH-CG2 3.25Å; Y71-T113 WeakPolarHBondContact OH-CG2 3.48Å; Q111-T113 PolarHBondContact O-N 2.84Å; T113-T526 PolarHBondContact O-N 3.08Å
114T94.5Very high86.9Confident0 Ų042.4 Ų42.40%023%0.227CC..EExtended strand (participates in β ladder)trans-111133.8166.9-66.30000110D15 F51 F112 R523 V524 T525D15-T114 WeakPolarHBondContact OD1-CB 3.48Å; D15-T114 PolarHBondContact OD1-N 3.11Å; D15-T114 PolarHBondContact OD1-OG1 2.79Å; F51-T114 HydrophobicContact CE1-CG2 4.46Å; F51-T114 WeakPolarHBondContact CE1-O 3.39Å; F51-T114 HydrophobicContact CE2-CG2 4.2Å; F51-T114 HydrophobicContact CZ-CG2 3.64Å; F112-T114 VanDerWaalsContact C-N 3.26Å; T114-R523 HydrophobicContact CG2-CG 4.27Å; T114-V524 CarbonylContact C-O 3.5Å; T114-V524 VanDerWaalsContact CA-O 3.24Å; T114-V524 WeakPolarHBondContact CA-O 3.47Å; T114-T525 WeakPolarHBondContact CG2-OG1 3.38Å; T114-T525 WeakPolarHBondContact OG1-CB 3.19Å; T114-T525 VanDerWaalsContact OG1-CG2 3.27Å; T114-T525 WeakPolarHBondContact OG1-CG2 3.39Å; T114-T525 PolarHBondContact OG1-OG1 2.89Å
115L93.1Very high86.4Confident6 Ų640.9 Ų40.93%0.03122%0.22CC..EExtended strand (participates in β ladder)trans-138.4148.9175-75.5179000110.9I54 A106 E107 F112 Y117 R523 V524I54-L115 HydrophobicContact CD1-CB 4.12Å; I54-L115 HydrophobicContact CD1-CD1 3.82Å; I54-L115 HydrophobicContact CD1-CD2 3.51Å; I54-L115 HydrophobicContact CD1-CG 4.02Å; A106-L115 HydrophobicContact CB-CD1 4.46Å; E107-L115 HydrophobicContact CB-CD1 4.37Å; E107-L115 HydrophobicContact CG-CD1 3.94Å; F112-L115 HydrophobicContact CB-CD1 4.32Å; F112-L115 HydrophobicContact CB-CD2 3.68Å; F112-L115 HydrophobicContact CB-CG 4Å; F112-L115 HydrophobicContact CD1-CD2 4.46Å; F112-L115 HydrophobicContact CD2-CD2 4.23Å; F112-L115 HydrophobicContact CG-CD2 3.9Å; L115-Y117 HydrophobicContact CB-CE2 3.97Å; L115-R523 CarbonylContact O-C 3.54Å; L115-R523 WeakPolarHBondContact O-CA 3.5Å; L115-V524 PolarHBondContact N-O 3.11Å; L115-V524 PolarHBondContact O-N 3.36Å
116E92.1Very high86.1Confident23 Ų2341 Ų4111%0.10722%0.221CC..EExtended strand (participates in β ladder)trans-124113.4176-174.4169.1109.500110.8Y513 R515 K521 L522E116-Y513 PolarHBondContact OE1-OH 3.31Å; E116-Y513 PolarHBondContact OE2-OH 2.75Å; E116-R515 IonicContact OE1-CZ 3.49Å; E116-R515 IonicContact OE1-NE 2.77Å; E116-R515 PolarHBondContact OE1-NE 3.26Å; E116-R515 IonicContact OE1-NH2 3.31Å; E116-R515 PolarHBondContact OE1-NH2 3.15Å; E116-R515 IonicContact OE2-NH2 3.69Å; E116-K521 HydrophobicContact CG-CB 4.11Å; E116-K521 HydrophobicContact CG-CD 4.16Å; E116-K521 HydrophobicContact CG-CG 4.37Å; E116-L522 WeakPolarHBondContact CA-O 3.47Å
117Y93.1Very high86.1Confident2 Ų240.5 Ų40.51%0.00822%0.216CC..EExtended strand (participates in β ladder)trans-91136.1178-54.4-106.1000109.4I54 Y56 P58 E107 L115 K521 L522 V524I54-Y117 HydrophobicContact CB-CD1 4.32Å; I54-Y117 HydrophobicContact CG2-CD1 3.28Å; I54-Y117 HydrophobicContact CG2-CE1 3.68Å; I54-Y117 HydrophobicContact CG2-CG 4Å; I54-Y117 CarbonylContact O-C 3.58Å; I54-Y117 WeakPolarHBondContact O-CA 3.41Å; Y56-Y117 HydrophobicContact CE2-CE1 4.41Å; P58-Y117 HydrophobicContact CB-CD1 3.96Å; P58-Y117 HydrophobicContact CB-CD2 4.47Å; P58-Y117 HydrophobicContact CB-CE1 3.71Å; P58-Y117 HydrophobicContact CB-CE2 4.26Å; P58-Y117 HydrophobicContact CB-CG 4.37Å; E107-Y117 WeakPolarHBondContact CG-OH 3.43Å; L115-Y117 HydrophobicContact CB-CE2 3.97Å; Y117-K521 CarbonylContact O-C 3.59Å; Y117-K521 VanDerWaalsContact O-CA 3.28Å; Y117-K521 WeakPolarHBondContact O-CA 3.37Å; Y117-L522 WeakPolarHBondContact CD2-O 3.43Å; Y117-L522 PolarHBondContact N-O 2.95Å; Y117-L522 PolarHBondContact O-N 3.17Å; Y117-V524 HydrophobicContact CD2-CG2 4.19Å; Y117-V524 HydrophobicContact CE2-CB 4.34Å; Y117-V524 HydrophobicContact CE2-CG2 3.83Å
118T90.7Very high86.2Confident24 Ų2440.6 Ų40.615%0.14722%0.217CC..EExtended strand (participates in β ladder)trans-84.9118163.6-50.80000108.4I54 N55 P120 K521I54-T118 PolarHBondContact O-N 3.02Å; N55-T118 VanDerWaalsContact OD1-CB 3.28Å; N55-T118 WeakPolarHBondContact OD1-CB 3.23Å; N55-T118 PolarHBondContact OD1-OG1 3.46Å; N55-T118 VanDerWaalsContact OD1-OG1 3.04Å; T118-P120 WeakPolarHBondContact O-CD 3.44Å; T118-K521 PolarHBondContact OG1-NZ 3.41Å
119I82.6Confident86.3Confident12 Ų1240.1 Ų40.16%0.06222%0.215CC..  trans-73.9114.3178.3-58.6170000107.8V122 Y232 Q512 R520 L522I119-V122 HydrophobicContact CB-CG2 4.35Å; I119-V122 HydrophobicContact CG2-CG2 3.73Å; I119-Y232 HydrophobicContact CB-CE2 4.48Å; I119-Y232 HydrophobicContact CD1-CD2 4.04Å; I119-Y232 HydrophobicContact CD1-CE2 3.61Å; I119-Y232 HydrophobicContact CG1-CE2 3.74Å; I119-Y232 HydrophobicContact CG2-CE2 3.93Å; I119-Q512 HydrophobicContact CD1-CG 4.06Å; I119-R520 HydrophobicContact CB-CB 4.2Å; I119-R520 HydrophobicContact CD1-CB 4.06Å; I119-R520 PolarHBondContact N-O 3.39Å; I119-L522 HydrophobicContact CD1-CB 4.24Å; I119-L522 HydrophobicContact CG1-CB 4.31Å
120P75.8Confident86.6Confident48 Ų4837.1 Ų37.131%0.31220%0.2SC..THydrogen-bonded Turntrans-71.5157.1-178.430.3-33.6000111.1T118 V122T118-P120 WeakPolarHBondContact O-CD 3.44Å; P120-V122 PolarHBondContact O-N 3.34Å
121K68.4Low87Confident179 Ų17933.4 Ų33.478%0.77817%0.168SC*.THydrogen-bonded Turntrans65.822.3168.7-54.3172.3-178.81740116.9
122V69.6Low87.5Confident37 Ų3728.4 Ų28.422%0.22415%0.145CC..PPolyproline II helixtrans-92.6135.6169.2-171.40000109.8I119 P120 L124 R520I119-V122 HydrophobicContact CB-CG2 4.35Å; I119-V122 HydrophobicContact CG2-CG2 3.73Å; P120-V122 PolarHBondContact O-N 3.34Å; V122-L124 PolarHBondContact O-N 3.1Å; V122-R520 HydrophobicContact CB-CG 4.39Å; V122-R520 HydrophobicContact CG1-CG 3.96Å; V122-R520 HydrophobicContact CG2-CB 4.33Å; V122-R520 HydrophobicContact CG2-CG 4.48Å
123Q71.9Confident87.9Confident75 Ų7527.3 Ų27.335%0.3514%0.14SC..PPolyproline II helixtrans-58.3124.3169.9-177.7175.2-100109.9V125 A244Q123-V125 PolarHBondContact O-N 2.82Å; Q123-A244 PolarHBondContact NE2-O 3.11Å; Q123-A244 PolarHBondContact OE1-O 3.37Å
124L78.1Confident88.1Confident106 Ų10626.7 Ų26.756%0.55514%0.137SC*.PPolyproline II helixtrans-68.4120.3174.2-59.5175.5000108.2V122 G518 Q519V122-L124 PolarHBondContact O-N 3.1Å; L124-G518 WeakPolarHBondContact CD2-O 3.47Å; L124-Q519 HydrophobicContact CD2-CB 4.38Å; L124-Q519 HydrophobicContact CD2-CG 3.89Å
125V80.1Confident88.3Confident22 Ų2227.1 Ų27.113%0.13314%0.139CC..  trans-104.3122.4171-170.10000107.1Q123 L246 T304 Q514 G518Q123-V125 PolarHBondContact O-N 2.82Å; V125-L246 HydrophobicContact CG1-CD2 4.12Å; V125-T304 HydrophobicContact CB-CG2 4.18Å; V125-T304 HydrophobicContact CG1-CG2 3.34Å; V125-Q514 PolarHBondContact O-NE2 3.21Å; V125-G518 WeakPolarHBondContact O-CA 3.4Å
126P85.5Confident88.5Confident19 Ų1927.3 Ų27.312%0.12314%0.141CC..  trans-66.5158.7177.929.9-36.4000110.9H159 F161 L246P126-H159 WeakPolarHBondContact CB-O 3.39Å; P126-H159 WeakPolarHBondContact CG-O 3.35Å; P126-F161 HydrophobicContact CB-CD2 4.28Å; P126-F161 HydrophobicContact CG-CD2 3.43Å; P126-F161 VanDerWaalsContact CG-CD2 3.43Å; P126-F161 HydrophobicContact CG-CE2 3.51Å; P126-L246 HydrophobicContact CG-CD1 4.46Å
127P89.9Confident88.7Confident2 Ų226.6 Ų26.61%0.01314%0.138CC..  trans-68.1142.4175.830.2-32.9000109.8F129 A160 F161 L424 A516P127-F129 HydrophobicContact CB-CE2 3.75Å; P127-F129 HydrophobicContact CB-CZ 4.16Å; P127-F129 HydrophobicContact CG-CE2 3.91Å; P127-A160 HydrophobicContact CG-CB 4.26Å; P127-F161 PolarHBondContact O-N 2.95Å; P127-L424 HydrophobicContact CB-CD1 4.17Å; P127-A516 VanDerWaalsContact CD-O 3.24Å; P127-A516 WeakPolarHBondContact CD-O 3.32Å; P127-A516 WeakPolarHBondContact CG-O 3.48Å
128I94.5Very high88.7Confident2 Ų233.9 Ų33.91%0.0117%0.172CC..EExtended strand (participates in β ladder)trans-111.3131.2178.8-55.3162.6000108.8I130 F161 I252 L297 Y301 T304 G305 A306 R307I128-I130 HydrophobicContact CG2-CG1 4.42Å; I128-F161 CarbonylContact C-O 3.25Å; I128-F161 WeakPolarHBondContact CA-O 3.23Å; I128-F161 HydrophobicContact CB-CB 4.25Å; I128-F161 HydrophobicContact CG1-CB 3.82Å; I128-F161 HydrophobicContact CG2-CB 4.17Å; I128-I252 HydrophobicContact CG2-CG2 3.82Å; I128-L297 HydrophobicContact CG2-CD2 4.02Å; I128-Y301 HydrophobicContact CD1-CD1 3.68Å; I128-Y301 HydrophobicContact CD1-CD2 3.71Å; I128-Y301 HydrophobicContact CD1-CE1 4.24Å; I128-Y301 HydrophobicContact CD1-CE2 4.26Å; I128-Y301 HydrophobicContact CD1-CG 3.4Å; I128-Y301 VanDerWaalsContact CD1-CG 3.4Å; I128-T304 HydrophobicContact CD1-CG2 3.79Å; I128-G305 PolarHBondContact N-O 2.95Å; I128-A306 HydrophobicContact CB-CB 3.77Å; I128-A306 HydrophobicContact CD1-CB 4.2Å; I128-A306 HydrophobicContact CG2-CB 4.27Å; I128-A306 CarbonylContact O-C 3.46Å; I128-A306 WeakPolarHBondContact O-CA 3.33Å; I128-R307 PolarHBondContact O-N 3.24Å
129F96.9Very high88.9Confident1 Ų136.9 Ų36.90%0.00418%0.184CC..EExtended strand (participates in β ladder)trans-122.2120176.4-60.1-91.2000109.7P127 F131 L156 A160 F161 V162 G163 R307 M309 F412 F420P127-F129 HydrophobicContact CB-CE2 3.75Å; P127-F129 HydrophobicContact CB-CZ 4.16Å; P127-F129 HydrophobicContact CG-CE2 3.91Å; F129-F131 HydrophobicContact CB-CE2 4.16Å; F129-F131 HydrophobicContact CB-CZ 4.38Å; F129-L156 HydrophobicContact CD2-CD1 4.38Å; F129-L156 HydrophobicContact CD2-CD2 3.78Å; F129-L156 HydrophobicContact CE1-CD2 4.48Å; F129-L156 HydrophobicContact CE2-CD2 3.64Å; F129-L156 HydrophobicContact CG-CD2 4.27Å; F129-L156 HydrophobicContact CZ-CD2 4.01Å; F129-A160 HydrophobicContact CD2-CB 4.45Å; F129-A160 HydrophobicContact CE2-CB 4.37Å; F129-F161 PolarHBondContact N-O 2.82Å; F129-V162 CarbonylContact O-C 3.39Å; F129-V162 VanDerWaalsContact O-CA 3.24Å; F129-V162 WeakPolarHBondContact O-CA 3.43Å; F129-G163 PolarHBondContact O-N 3.15Å; F129-R307 CarbonylContact C-O 3.59Å; F129-R307 WeakPolarHBondContact CA-O 3.21Å; F129-R307 HydrophobicContact CD1-CB 4.23Å; F129-R307 HydrophobicContact CE1-CG 4.44Å; F129-M309 HydrophobicContact CD1-SD 3.93Å; F129-F412 HydrophobicContact CE1-CE1 4.22Å; F129-F420 HydrophobicContact CE2-CE2 4.24Å; F129-F420 HydrophobicContact CZ-CD2 4.2Å; F129-F420 AromaticContact CZ-CE2 3.95Å; F129-F420 HydrophobicContact CZ-CE2 3.95Å
130I98.1Very high89.5Confident0 Ų040.4 Ų40.40%021%0.208CC..EExtended strand (participates in β ladder)trans-108.1114172.5-58.8-169.6000108.4I128 V132 G163 I165 I252 L296 L297 R307 V308 M309I128-I130 HydrophobicContact CG2-CG1 4.42Å; I130-V132 HydrophobicContact CG2-CG2 3.98Å; I130-G163 CarbonylContact C-O 3.57Å; I130-G163 WeakPolarHBondContact CA-O 3.47Å; I130-I165 HydrophobicContact CG2-CD1 3.99Å; I130-I165 HydrophobicContact CG2-CG1 4.22Å; I130-I252 HydrophobicContact CD1-CD1 3.85Å; I130-I252 HydrophobicContact CD1-CG1 4.48Å; I130-I252 HydrophobicContact CG1-CD1 4.5Å; I130-L296 HydrophobicContact CD1-CD2 4.23Å; I130-L297 HydrophobicContact CD1-CD1 3.9Å; I130-L297 HydrophobicContact CD1-CD2 3.55Å; I130-L297 HydrophobicContact CD1-CG 3.48Å; I130-L297 VanDerWaalsContact CD1-CG 3.48Å; I130-L297 HydrophobicContact CG1-CD1 4.48Å; I130-L297 HydrophobicContact CG1-CD2 4.21Å; I130-L297 HydrophobicContact CG1-CG 4.43Å; I130-R307 PolarHBondContact N-O 3.04Å; I130-V308 CarbonylContact O-C 3.49Å; I130-M309 PolarHBondContact O-N 3.17Å
131F98.7Very high90.5Very high1 Ų140.7 Ų40.70%0.00421%0.205CC..EExtended strand (participates in β ladder)trans-82123173.6-59.4-89.1000109F129 I133 I149 L153 L156 V162 G163 L164 I165 M309 F311F129-F131 HydrophobicContact CB-CE2 4.16Å; F129-F131 HydrophobicContact CB-CZ 4.38Å; F131-I133 HydrophobicContact CB-CD1 4.48Å; F131-I133 HydrophobicContact CB-CG1 4.39Å; F131-I149 HydrophobicContact CD1-CG2 3.8Å; F131-I149 HydrophobicContact CE1-CG2 4Å; F131-I149 HydrophobicContact CG-CG2 4.34Å; F131-L153 HydrophobicContact CE2-CD2 3.69Å; F131-L153 HydrophobicContact CZ-CD2 3.81Å; F131-L156 HydrophobicContact CE2-CD1 4.46Å; F131-L156 HydrophobicContact CZ-CD1 4.34Å; F131-V162 HydrophobicContact CE2-CG1 4.25Å; F131-G163 PolarHBondContact N-O 3.09Å; F131-L164 HydrophobicContact CB-CD1 4.09Å; F131-I165 PolarHBondContact O-N 2.88Å; F131-M309 HydrophobicContact CD1-SD 4.44Å; F131-M309 HydrophobicContact CE1-SD 3.96Å; F131-M309 HydrophobicContact CZ-SD 4.47Å; F131-F311 AromaticContact CD1-CE2 3.89Å; F131-F311 HydrophobicContact CD1-CE2 3.89Å; F131-F311 HydrophobicContact CD1-CZ 4.33Å
132V98.8Very high91.9Very high0 Ų032.2 Ų32.20%017%0.168CC..EExtended strand (participates in β ladder)trans-118.1103.4178.4-173.40000108.1I130 I165 F167 A289 A293 V308 M309 L310 F311I130-V132 HydrophobicContact CG2-CG2 3.98Å; V132-I165 CarbonylContact C-O 3.58Å; V132-I165 VanDerWaalsContact CA-O 3.26Å; V132-I165 WeakPolarHBondContact CA-O 3.44Å; V132-I165 HydrophobicContact CG1-CB 4.42Å; V132-I165 HydrophobicContact CG1-CG2 4.21Å; V132-I165 HydrophobicContact CG2-CB 4.25Å; V132-F167 HydrophobicContact CG1-CD1 3.76Å; V132-F167 HydrophobicContact CG1-CE1 3.83Å; V132-A289 HydrophobicContact CG1-CB 3.97Å; V132-A293 HydrophobicContact CG2-CB 3.97Å; V132-V308 HydrophobicContact CG2-CG1 3.55Å; V132-M309 PolarHBondContact N-O 2.64Å; V132-L310 HydrophobicContact CB-CD1 4.16Å; V132-L310 HydrophobicContact CG1-CD1 3.85Å; V132-L310 WeakPolarHBondContact O-CA 3.44Å; V132-F311 PolarHBondContact O-N 2.75Å
133I98.8Very high93.2Very high2 Ų232.7 Ų32.71%0.0117%0.171CC..EExtended strand (participates in β ladder)trans-111.4125.9-164.7-53.8176.5000111.1F131 T135 F142 L145 I149 L164 I165 T166 F167 L266 L269 F311F131-I133 HydrophobicContact CB-CD1 4.48Å; F131-I133 HydrophobicContact CB-CG1 4.39Å; I133-T135 PolarHBondContact O-N 3.02Å; I133-F142 HydrophobicContact CG2-CE2 3.99Å; I133-L145 HydrophobicContact CG2-CD2 3.98Å; I133-I149 HydrophobicContact CD1-CD1 3.47Å; I133-I149 VanDerWaalsContact CD1-CD1 3.47Å; I133-I149 HydrophobicContact CG1-CD1 3.8Å; I133-L164 HydrophobicContact CD1-CD1 3.63Å; I133-L164 HydrophobicContact CG1-CD1 4.26Å; I133-I165 PolarHBondContact N-O 3.24Å; I133-T166 HydrophobicContact CB-CG2 4.26Å; I133-T166 CarbonylContact O-C 3.56Å; I133-T166 WeakPolarHBondContact O-CA 3.45Å; I133-F167 VanDerWaalsContact C-CE1 3.44Å; I133-F167 VanDerWaalsContact O-CD1 3.27Å; I133-F167 WeakPolarHBondContact O-CD1 3.49Å; I133-F167 PolarHBondContact O-N 2.71Å; I133-L266 HydrophobicContact CD1-CD2 3.64Å; I133-L269 HydrophobicContact CD1-CD1 4.3Å; I133-F311 HydrophobicContact CG1-CD2 4.27Å
134D98.6Very high94.4Very high0 Ų031.8 Ų31.80%017%0.167CC..EExtended strand (participates in β ladder)trans-70.4116.4169.9-173.92.1000110.8C136 I137 F167 R284 F311 G313D134-C136 VanDerWaalsContact C-N 3.34Å; D134-C136 WeakPolarHBondContact OD1-CA 3.4Å; D134-C136 WeakPolarHBondContact OD1-CB 3.48Å; D134-C136 PolarHBondContact OD1-N 3.43Å; D134-I137 HydrophobicContact CB-CD1 3.99Å; D134-I137 HydrophobicContact CB-CG1 4.12Å; D134-I137 WeakPolarHBondContact O-CD1 3.04Å; D134-F167 CarbonylContact C-O 3.59Å; D134-F167 WeakPolarHBondContact CA-O 3.48Å; D134-F167 HydrophobicContact CB-CE1 4.05Å; D134-F167 HydrophobicContact CB-CE2 3.88Å; D134-F167 HydrophobicContact CB-CZ 3.51Å; D134-F167 VanDerWaalsContact N-CE1 3.34Å; D134-R284 IonicContact OD1-NE 3.32Å; D134-R284 IonicContact OD2-CZ 2.98Å; D134-R284 IonicContact OD2-NE 3.65Å; D134-R284 PolarHBondContact OD2-NE 2.85Å; D134-F311 VanDerWaalsContact CB-O 3.29Å; D134-F311 WeakPolarHBondContact CB-O 3.32Å; D134-F311 PolarHBondContact N-O 3.4Å; D134-F311 VanDerWaalsContact N-O 3.13Å; D134-G313 PolarHBondContact OD2-N 3.43Å
135T98.3Very high95.4Very high9 Ų926.8 Ų26.86%0.05514%0.141CC..THydrogen-bonded Turntrans-88.5-3.1175.458.90000112.3I133 I137 F142 T166 F167 G168 P271 D272I133-T135 PolarHBondContact O-N 3.02Å; T135-I137 PolarHBondContact O-N 3.26Å; T135-F142 HydrophobicContact CG2-CZ 4.3Å; T135-T166 HydrophobicContact CG2-CG2 4.47Å; T135-F167 PolarHBondContact N-O 2.88Å; T135-F167 VanDerWaalsContact OG1-C 3.31Å; T135-F167 PolarHBondContact OG1-O 3.24Å; T135-F167 VanDerWaalsContact OG1-O 3.11Å; T135-G168 PolarHBondContact OG1-N 2.84Å; T135-P271 CarbonylContact O-C 3.54Å; T135-P271 VanDerWaalsContact O-CA 3.31Å; T135-P271 WeakPolarHBondContact O-CA 3.33Å; T135-D272 PolarHBondContact O-N 2.97Å
136C97.9Very high96.2Very high9 Ų926.7 Ų26.76%0.06114%0.139CC..THydrogen-bonded Turntrans-85.815.4172.7-590000112.7D134 G168 P282 R284D134-C136 VanDerWaalsContact C-N 3.34Å; D134-C136 WeakPolarHBondContact OD1-CA 3.4Å; D134-C136 WeakPolarHBondContact OD1-CB 3.48Å; D134-C136 PolarHBondContact OD1-N 3.43Å; C136-G168 WeakPolarHBondContact SG-CA 3.48Å; C136-P282 HydrophobicContact CB-CB 3.74Å; C136-P282 HydrophobicContact CB-CG 3.93Å; C136-R284 HydrophobicContact CB-CG 3.71Å; C136-R284 PolarHBondContact O-NH2 2.82Å
137I96.9Very high96.7Very high9 Ų930.5 Ų30.55%0.04616%0.155CC..PPolyproline II helixtrans-80.6131170.3-63.8166.4000107.8D134 T135 E141 F142 L145 F399D134-I137 HydrophobicContact CB-CD1 3.99Å; D134-I137 HydrophobicContact CB-CG1 4.12Å; D134-I137 WeakPolarHBondContact O-CD1 3.04Å; T135-I137 PolarHBondContact O-N 3.26Å; I137-E141 HydrophobicContact CG2-CB 3.65Å; I137-F142 HydrophobicContact CB-CB 4.15Å; I137-F142 HydrophobicContact CB-CD2 4.05Å; I137-F142 HydrophobicContact CB-CG 4.45Å; I137-F142 HydrophobicContact CG2-CB 3.88Å; I137-F142 HydrophobicContact CG2-CD2 4.47Å; I137-L145 HydrophobicContact CD1-CD2 3.37Å; I137-F399 HydrophobicContact CD1-CD2 4.12Å; I137-F399 HydrophobicContact CD1-CE2 3.44Å; I137-F399 VanDerWaalsContact CD1-CE2 3.44Å; I137-F399 HydrophobicContact CD1-CZ 4.1Å; I137-F399 HydrophobicContact CG1-CE2 4.26Å
138E92.8Very high97.1Very high155 Ų15530.9 Ų30.972%0.72416%0.157SC*.PPolyproline II helixtrans-79.7155.3179.8-63.5-179.5177.500111.4E141 F142E138-E141 WeakPolarHBondContact O-CB 3.06Å; E138-E141 PolarHBondContact O-N 3.06Å; E138-E141 VanDerWaalsContact O-N 3.09Å; E138-F142 PolarHBondContact O-N 3.16Å; E138-F142 VanDerWaalsContact O-N 3.1Å
139E95.2Very high97.2Very high87 Ų8730.8 Ų30.841%0.40716%0.157SC..THydrogen-bonded Turntrans-75.3144.5171.1-66.4-67.4-178.600110.5T143 K146 P271E139-T143 VanDerWaalsContact CD-OG1 3.27Å; E139-T143 PolarHBondContact OE1-OG1 3.18Å; E139-T143 WeakPolarHBondContact OE2-CB 3.42Å; E139-T143 PolarHBondContact OE2-N 3.35Å; E139-T143 PolarHBondContact OE2-OG1 3.11Å; E139-K146 IonicContact OE1-NZ 3.99Å; E139-P271 HydrophobicContact CG-CG 4.36Å
140P95.4Very high97.2Very high85 Ų8533 Ų3355%0.55217%0.167SC*.THydrogen-bonded Turncis-89.60.78.136.3-36.9000114.9F142 T143 H144P140-F142 VanDerWaalsContact C-N 3.27Å; P140-F142 PolarHBondContact O-N 3.27Å; P140-T143 PolarHBondContact O-N 3.3Å; P140-H144 PolarHBondContact O-N 3.11Å; P140-H144 PolarHBondContact O-ND1 2.77Å
141E96Very high97Very high55 Ų5535.9 Ų35.926%0.25718%0.182SC..Hα-helixtrans-60.3-37.5-177.3-71.3-68.9137.600112.1I137 E138 T143 H144 L145 S398 F399 A400I137-E141 HydrophobicContact CG2-CB 3.65Å; E138-E141 WeakPolarHBondContact O-CB 3.06Å; E138-E141 PolarHBondContact O-N 3.06Å; E138-E141 VanDerWaalsContact O-N 3.09Å; E141-T143 PolarHBondContact O-N 2.87Å; E141-H144 PolarHBondContact O-N 3.49Å; E141-L145 PolarHBondContact O-N 3.42Å; E141-S398 WeakPolarHBondContact OE1-CB 3.22Å; E141-S398 PolarHBondContact OE1-OG 3.2Å; E141-S398 WeakPolarHBondContact OE2-CA 3.42Å; E141-S398 WeakPolarHBondContact OE2-CB 3.46Å; E141-S398 PolarHBondContact OE2-OG 2.65Å; E141-F399 PolarHBondContact OE2-N 2.89Å; E141-A400 PolarHBondContact OE2-N 3.44Å
142F97.6Very high96.9Very high0 Ų035.9 Ų35.90%018%0.183CC..Hα-helixtrans-63.8-40.1179.3-169.8-133000112.3I133 T135 I137 E138 P140 L145 K146 L269 P271I133-F142 HydrophobicContact CG2-CE2 3.99Å; T135-F142 HydrophobicContact CG2-CZ 4.3Å; I137-F142 HydrophobicContact CB-CB 4.15Å; I137-F142 HydrophobicContact CB-CD2 4.05Å; I137-F142 HydrophobicContact CB-CG 4.45Å; I137-F142 HydrophobicContact CG2-CB 3.88Å; I137-F142 HydrophobicContact CG2-CD2 4.47Å; E138-F142 PolarHBondContact O-N 3.16Å; E138-F142 VanDerWaalsContact O-N 3.1Å; P140-F142 VanDerWaalsContact C-N 3.27Å; P140-F142 PolarHBondContact O-N 3.27Å; F142-L145 PolarHBondContact O-N 2.88Å; F142-K146 HydrophobicContact CD1-CD 4.45Å; F142-K146 HydrophobicContact CE1-CD 4.21Å; F142-K146 HydrophobicContact CZ-CD 4.42Å; F142-K146 WeakPolarHBondContact O-CG 3.31Å; F142-K146 PolarHBondContact O-N 3.43Å; F142-L269 HydrophobicContact CE1-CB 4.24Å; F142-L269 HydrophobicContact CZ-CB 4.03Å; F142-P271 HydrophobicContact CD1-CG 4.13Å
143T97.6Very high96.7Very high48 Ų4836.1 Ų36.129%0.29418%0.184SC..Hα-helixtrans-58.8-47.4172.2-64.80000112.2E139 P140 E141 L145 K146 E147E139-T143 VanDerWaalsContact CD-OG1 3.27Å; E139-T143 PolarHBondContact OE1-OG1 3.18Å; E139-T143 WeakPolarHBondContact OE2-CB 3.42Å; E139-T143 PolarHBondContact OE2-N 3.35Å; E139-T143 PolarHBondContact OE2-OG1 3.11Å; P140-T143 PolarHBondContact O-N 3.3Å; E141-T143 PolarHBondContact O-N 2.87Å; T143-L145 VanDerWaalsContact C-N 3.3Å; T143-L145 PolarHBondContact O-N 2.88Å; T143-K146 WeakPolarHBondContact O-CB 3.48Å; T143-K146 PolarHBondContact O-N 3.02Å; T143-K146 VanDerWaalsContact O-N 3.15Å; T143-E147 HydrophobicContact CG2-CG 4.48Å; T143-E147 WeakPolarHBondContact O-CG 3.3Å; T143-E147 PolarHBondContact O-N 3.33Å
144H97.2Very high96.5Very high56 Ų5640 Ų4026%0.25921%0.211SC..Hα-helixtrans-64.5-34.4179-65.193.9000113.1P140 E141 S148 A400P140-H144 PolarHBondContact O-N 3.11Å; P140-H144 PolarHBondContact O-ND1 2.77Å; E141-H144 PolarHBondContact O-N 3.49Å; H144-S148 WeakPolarHBondContact O-CB 3.26Å; H144-S148 PolarHBondContact O-N 2.9Å; H144-S148 PolarHBondContact O-OG 3.21Å; H144-A400 HydrophobicContact CB-CB 3.98Å; H144-A400 VanDerWaalsContact CG-CB 3.49Å
145L97.8Very high96.3Very high0 Ų042.7 Ų42.70%022%0.223CC..Hα-helixtrans-63.9-48172.4174.259000111I133 I137 E141 F142 T143 E147 S148 I149 F311 F399I133-L145 HydrophobicContact CG2-CD2 3.98Å; I137-L145 HydrophobicContact CD1-CD2 3.37Å; E141-L145 PolarHBondContact O-N 3.42Å; F142-L145 PolarHBondContact O-N 2.88Å; T143-L145 VanDerWaalsContact C-N 3.3Å; T143-L145 PolarHBondContact O-N 2.88Å; L145-E147 PolarHBondContact O-N 2.75Å; L145-S148 PolarHBondContact O-N 2.82Å; L145-I149 HydrophobicContact CD1-CD1 3.77Å; L145-I149 HydrophobicContact CD1-CG1 4.06Å; L145-I149 HydrophobicContact CG-CD1 4Å; L145-I149 WeakPolarHBondContact O-CG1 3.4Å; L145-I149 PolarHBondContact O-N 2.91Å; L145-F311 HydrophobicContact CD1-CB 4Å; L145-F311 HydrophobicContact CD1-CD1 3.38Å; L145-F311 HydrophobicContact CD1-CE1 4.02Å; L145-F311 HydrophobicContact CD1-CG 3.79Å; L145-F311 HydrophobicContact CD2-CB 3.89Å; L145-F311 HydrophobicContact CD2-CG 4.5Å; L145-F399 HydrophobicContact CB-CB 4.16Å; L145-F399 HydrophobicContact CB-CD1 4.41Å; L145-F399 HydrophobicContact CB-CD2 4.3Å; L145-F399 HydrophobicContact CB-CG 4.05Å; L145-F399 HydrophobicContact CD1-CD1 3.8Å; L145-F399 HydrophobicContact CD1-CE1 3.91Å; L145-F399 HydrophobicContact CD1-CG 4.3Å; L145-F399 HydrophobicContact CD1-CZ 4.49Å; L145-F399 HydrophobicContact CD2-CD2 4.48Å; L145-F399 HydrophobicContact CD2-CE1 4.5Å; L145-F399 HydrophobicContact CD2-CE2 4.27Å; L145-F399 HydrophobicContact CD2-CZ 4.28Å
146K97.8Very high96Very high21 Ų2142.9 Ų42.99%0.09122%0.224CC..Hα-helixtrans-56.1-49.5176.8-73.4-175.9-76.9-176.50111.3E139 F142 T143 S148 I149 Q150 L266 L269E139-K146 IonicContact OE1-NZ 3.99Å; F142-K146 HydrophobicContact CD1-CD 4.45Å; F142-K146 HydrophobicContact CE1-CD 4.21Å; F142-K146 HydrophobicContact CZ-CD 4.42Å; F142-K146 WeakPolarHBondContact O-CG 3.31Å; F142-K146 PolarHBondContact O-N 3.43Å; T143-K146 WeakPolarHBondContact O-CB 3.48Å; T143-K146 PolarHBondContact O-N 3.02Å; T143-K146 VanDerWaalsContact O-N 3.15Å; K146-S148 VanDerWaalsContact C-N 3.33Å; K146-S148 PolarHBondContact O-N 3.25Å; K146-I149 PolarHBondContact O-N 3.4Å; K146-Q150 WeakPolarHBondContact O-CB 3.33Å; K146-Q150 VanDerWaalsContact O-CG 3.29Å; K146-Q150 WeakPolarHBondContact O-CG 3.39Å; K146-Q150 PolarHBondContact O-N 3.43Å; K146-L266 WeakPolarHBondContact CD-O 3.44Å; K146-L269 HydrophobicContact CD-CB 4.17Å; K146-L269 PolarHBondContact NZ-O 3.12Å
147E96.5Very high95.7Very high99 Ų9943.9 Ų43.946%0.46323%0.23SC..Hα-helixtrans-59.8-41.8177.8-70.9175.8172.600112.3T143 L145 Q150 L151T143-E147 HydrophobicContact CG2-CG 4.48Å; T143-E147 WeakPolarHBondContact O-CG 3.3Å; T143-E147 PolarHBondContact O-N 3.33Å; L145-E147 PolarHBondContact O-N 2.75Å; E147-Q150 PolarHBondContact O-N 2.97Å; E147-L151 WeakPolarHBondContact O-CB 3.33Å; E147-L151 PolarHBondContact O-N 3.02Å
148S97.1Very high95.4Very high9 Ų947.1 Ų47.16%0.06325%0.251CS..Hα-helixtrans-63.1-43177.3-64.10000111.7H144 L145 K146 S152 Y408H144-S148 WeakPolarHBondContact O-CB 3.26Å; H144-S148 PolarHBondContact O-N 2.9Å; H144-S148 PolarHBondContact O-OG 3.21Å; L145-S148 PolarHBondContact O-N 2.82Å; K146-S148 VanDerWaalsContact C-N 3.33Å; K146-S148 PolarHBondContact O-N 3.25Å; S148-S152 PolarHBondContact O-N 3.19Å; S148-Y408 WeakPolarHBondContact O-CE1 3.42Å
149I97.6Very high95.3Very high1 Ų144.1 Ų44.11%0.00524%0.237CC..Hα-helixtrans-67.1-47177.2-66.5172.9000110.3F131 I133 L145 K146 L151 S152 L153 L266 F311F131-I149 HydrophobicContact CD1-CG2 3.8Å; F131-I149 HydrophobicContact CE1-CG2 4Å; F131-I149 HydrophobicContact CG-CG2 4.34Å; I133-I149 HydrophobicContact CD1-CD1 3.47Å; I133-I149 VanDerWaalsContact CD1-CD1 3.47Å; I133-I149 HydrophobicContact CG1-CD1 3.8Å; L145-I149 HydrophobicContact CD1-CD1 3.77Å; L145-I149 HydrophobicContact CD1-CG1 4.06Å; L145-I149 HydrophobicContact CG-CD1 4Å; L145-I149 WeakPolarHBondContact O-CG1 3.4Å; L145-I149 PolarHBondContact O-N 2.91Å; K146-I149 PolarHBondContact O-N 3.4Å; I149-L151 VanDerWaalsContact C-N 3.31Å; I149-L151 PolarHBondContact O-N 3.03Å; I149-S152 WeakPolarHBondContact CA-OG 3.43Å; I149-S152 WeakPolarHBondContact O-CA 3.16Å; I149-S152 WeakPolarHBondContact O-CB 3.44Å; I149-S152 PolarHBondContact O-N 2.87Å; I149-S152 PolarHBondContact O-OG 2.96Å; I149-L153 PolarHBondContact O-N 3.08Å; I149-L266 HydrophobicContact CG2-CD1 3.75Å; I149-L266 HydrophobicContact CG2-CD2 4.06Å; I149-F311 HydrophobicContact CD1-CD1 4.45Å; I149-F311 HydrophobicContact CD1-CD2 3.91Å; I149-F311 HydrophobicContact CD1-CE1 4.37Å; I149-F311 HydrophobicContact CD1-CE2 3.87Å; I149-F311 HydrophobicContact CD1-CG 4.21Å; I149-F311 HydrophobicContact CD1-CZ 4.09Å; I149-F311 HydrophobicContact CG1-CE1 4.18Å; I149-F311 HydrophobicContact CG1-CE2 4.18Å; I149-F311 HydrophobicContact CG1-CZ 3.92Å
150Q96.6Very high95.2Very high48 Ų4840 Ų4022%0.22422%0.218CC..Hα-helixtrans-56.5-45.5176.7-74.5175.5-38.300111.7K146 E147 S152 L153 T263 L266 T267K146-Q150 WeakPolarHBondContact O-CB 3.33Å; K146-Q150 VanDerWaalsContact O-CG 3.29Å; K146-Q150 WeakPolarHBondContact O-CG 3.39Å; K146-Q150 PolarHBondContact O-N 3.43Å; E147-Q150 PolarHBondContact O-N 2.97Å; Q150-S152 VanDerWaalsContact C-N 3.28Å; Q150-S152 PolarHBondContact O-N 3.49Å; Q150-L153 WeakPolarHBondContact O-CB 3.2Å; Q150-L153 PolarHBondContact O-N 2.78Å; Q150-T263 PolarHBondContact NE2-O 3.48Å; Q150-L266 HydrophobicContact CG-CB 3.98Å; Q150-L266 HydrophobicContact CG-CD1 3.83Å; Q150-T267 PolarHBondContact NE2-OG1 3.14Å
151L94.7Very high95.1Very high60 Ų6037.1 Ų37.131%0.31420%0.197SC..Hα-helixtrans-59.1-41.5174-18064.7000111.4E147 I149 L153 S154 F155 R409E147-L151 WeakPolarHBondContact O-CB 3.33Å; E147-L151 PolarHBondContact O-N 3.02Å; I149-L151 VanDerWaalsContact C-N 3.31Å; I149-L151 PolarHBondContact O-N 3.03Å; L151-L153 VanDerWaalsContact C-N 3.3Å; L151-L153 PolarHBondContact O-N 2.78Å; L151-S154 WeakPolarHBondContact O-CB 3.43Å; L151-S154 PolarHBondContact O-N 3.16Å; L151-S154 PolarHBondContact O-OG 2.98Å; L151-F155 HydrophobicContact CD1-CE1 4.32Å; L151-F155 HydrophobicContact CD1-CZ 4.02Å; L151-F155 HydrophobicContact CD2-CZ 4.19Å; L151-F155 HydrophobicContact CG-CE1 4.44Å; L151-F155 HydrophobicContact CG-CE2 4.16Å; L151-F155 HydrophobicContact CG-CZ 3.71Å; L151-R409 HydrophobicContact CD2-CG 4.38Å; L151-R409 VanDerWaalsContact CD2-CZ 3.49Å; L151-R409 VanDerWaalsContact CD2-NH2 3.34Å
152S95.3Very high95.1Very high1 Ų134.5 Ų34.51%0.00719%0.185CC..Hα-helixtrans-66-29178.469.30000114.3S148 I149 Q150 S154 F155 Y408 F412S148-S152 PolarHBondContact O-N 3.19Å; I149-S152 WeakPolarHBondContact CA-OG 3.43Å; I149-S152 WeakPolarHBondContact O-CA 3.16Å; I149-S152 WeakPolarHBondContact O-CB 3.44Å; I149-S152 PolarHBondContact O-N 2.87Å; I149-S152 PolarHBondContact O-OG 2.96Å; Q150-S152 VanDerWaalsContact C-N 3.28Å; Q150-S152 PolarHBondContact O-N 3.49Å; S152-S154 PolarHBondContact O-N 2.88Å; S152-F155 WeakPolarHBondContact O-CB 3.36Å; S152-F155 PolarHBondContact O-N 2.8Å; S152-Y408 WeakPolarHBondContact CB-OH 3.39Å; S152-Y408 PolarHBondContact OG-OH 2.95Å; S152-F412 VanDerWaalsContact CB-CE2 3.48Å
153L95.7Very high95.1Very high4 Ų434.6 Ų34.62%0.02119%0.185CC..Hα-helixtrans-60.3-37.3174-65.4179.5000111.4F131 I149 Q150 L151 F155 L156 M255 I262 L266F131-L153 HydrophobicContact CE2-CD2 3.69Å; F131-L153 HydrophobicContact CZ-CD2 3.81Å; I149-L153 PolarHBondContact O-N 3.08Å; Q150-L153 WeakPolarHBondContact O-CB 3.2Å; Q150-L153 PolarHBondContact O-N 2.78Å; L151-L153 VanDerWaalsContact C-N 3.3Å; L151-L153 PolarHBondContact O-N 2.78Å; L153-F155 PolarHBondContact O-N 2.9Å; L153-F155 VanDerWaalsContact O-N 3.16Å; L153-L156 HydrophobicContact CD2-CD1 4.03Å; L153-L156 WeakPolarHBondContact O-CB 3.46Å; L153-L156 PolarHBondContact O-N 2.78Å; L153-L156 VanDerWaalsContact O-N 3.11Å; L153-M255 HydrophobicContact CB-CE 3.81Å; L153-M255 HydrophobicContact CD1-CE 4.36Å; L153-M255 HydrophobicContact CD2-CE 4.35Å; L153-M255 HydrophobicContact CD2-SD 4.25Å; L153-M255 HydrophobicContact CG-CE 4.41Å; L153-I262 HydrophobicContact CD1-CD1 4.5Å; L153-I262 HydrophobicContact CD1-CG1 4.37Å; L153-I262 HydrophobicContact CD1-CG2 3.69Å; L153-I262 HydrophobicContact CD2-CD1 4.28Å; L153-L266 HydrophobicContact CD1-CD1 3.54Å; L153-L266 HydrophobicContact CG-CD1 4.46Å
154S93.6Very high95.1Very high85 Ų8532.4 Ų32.459%0.59417%0.172SC*.THydrogen-bonded Turntrans-64.2-18.3176.279.50000114.1L151 S152L151-S154 WeakPolarHBondContact O-CB 3.43Å; L151-S154 PolarHBondContact O-N 3.16Å; L151-S154 PolarHBondContact O-OG 2.98Å; S152-S154 PolarHBondContact O-N 2.88Å
155F93.8Very high95.2Very high56 Ų5629.8 Ų29.825%0.24616%0.16CC..THydrogen-bonded Turntrans-84.9-21.2177.2-54-32.7000112.9L151 S152 L153 R409 F412 K414 F420L151-F155 HydrophobicContact CD1-CE1 4.32Å; L151-F155 HydrophobicContact CD1-CZ 4.02Å; L151-F155 HydrophobicContact CD2-CZ 4.19Å; L151-F155 HydrophobicContact CG-CE1 4.44Å; L151-F155 HydrophobicContact CG-CE2 4.16Å; L151-F155 HydrophobicContact CG-CZ 3.71Å; S152-F155 WeakPolarHBondContact O-CB 3.36Å; S152-F155 PolarHBondContact O-N 2.8Å; L153-F155 PolarHBondContact O-N 2.9Å; L153-F155 VanDerWaalsContact O-N 3.16Å; F155-R409 HydrophobicContact CE2-CB 4.49Å; F155-R409 HydrophobicContact CE2-CG 4.13Å; F155-R409 HydrophobicContact CZ-CG 4.44Å; F155-F412 HydrophobicContact CB-CB 3.98Å; F155-F412 HydrophobicContact CB-CG 4.28Å; F155-F412 HydrophobicContact CD2-CB 3.87Å; F155-F412 AromaticContact CD2-CD2 3.98Å; F155-F412 HydrophobicContact CD2-CD2 3.98Å; F155-F412 HydrophobicContact CD2-CG 4.02Å; F155-F412 HydrophobicContact CG-CB 4.29Å; F155-K414 WeakPolarHBondContact O-CE 3.22Å; F155-K414 PolarHBondContact O-NZ 3.46Å; F155-F420 WeakPolarHBondContact O-CZ 3.09Å
156L93.8Very high95.2Very high13 Ų1330 Ų307%0.06816%0.161CC..SBendtrans-70.9137.4-177.4-60.2-176.3000111.2F129 F131 L153 A160 V162 M255 F412 F420F129-L156 HydrophobicContact CD2-CD1 4.38Å; F129-L156 HydrophobicContact CD2-CD2 3.78Å; F129-L156 HydrophobicContact CE1-CD2 4.48Å; F129-L156 HydrophobicContact CE2-CD2 3.64Å; F129-L156 HydrophobicContact CG-CD2 4.27Å; F129-L156 HydrophobicContact CZ-CD2 4.01Å; F131-L156 HydrophobicContact CE2-CD1 4.46Å; F131-L156 HydrophobicContact CZ-CD1 4.34Å; L153-L156 HydrophobicContact CD2-CD1 4.03Å; L153-L156 WeakPolarHBondContact O-CB 3.46Å; L153-L156 PolarHBondContact O-N 2.78Å; L153-L156 VanDerWaalsContact O-N 3.11Å; L156-A160 HydrophobicContact CB-CB 4.3Å; L156-V162 HydrophobicContact CD1-CG1 3.47Å; L156-V162 VanDerWaalsContact CD1-CG1 3.47Å; L156-M255 HydrophobicContact CB-CG 4.48Å; L156-M255 HydrophobicContact CD1-SD 4.38Å; L156-F412 HydrophobicContact CD2-CD1 4.1Å; L156-F412 HydrophobicContact CD2-CE1 3.82Å; L156-F420 HydrophobicContact CD2-CE2 4.14Å; L156-F420 HydrophobicContact CD2-CZ 4Å
157P91.3Very high95.2Very high29 Ų2929 Ų2919%0.18816%0.157CC..  trans-68.4153.1173.729.1-33.3000110.7H159 A160P157-H159 PolarHBondContact O-N 3.38Å; P157-A160 HydrophobicContact CG-CB 3.85Å; P157-A160 VanDerWaalsContact O-CB 3.32Å; P157-A160 WeakPolarHBondContact O-CB 3.47Å; P157-A160 PolarHBondContact O-N 2.96Å
158P91Very high95.3Very high77 Ų7724.4 Ų24.450%0.514%0.135SC..THydrogen-bonded Turntrans-55.9-30.6-175.4-26.733.9000114.5M255 E256P158-M255 PolarHBondContact O-N 2.92Å; P158-E256 HydrophobicContact CB-CB 3.95Å; P158-E256 WeakPolarHBondContact O-CB 3.38Å; P158-E256 PolarHBondContact O-N 2.84Å
159H89.3Confident95.4Very high93 Ų9326.8 Ų26.843%0.43115%0.145SC..THydrogen-bonded Turntrans-87.9-4.7179.859.2-98.4000114.3P126 P157 F161P126-H159 WeakPolarHBondContact CB-O 3.39Å; P126-H159 WeakPolarHBondContact CG-O 3.35Å; P157-H159 PolarHBondContact O-N 3.38Å; H159-F161 WeakPolarHBondContact O-CD2 3.24Å
160A92.8Very high95.4Very high0 Ų028.9 Ų28.90%016%0.155CC..  trans-64.8143.2173.700000109.9P127 F129 L156 P157 P254 M255P127-A160 HydrophobicContact CG-CB 4.26Å; F129-A160 HydrophobicContact CD2-CB 4.45Å; F129-A160 HydrophobicContact CE2-CB 4.37Å; L156-A160 HydrophobicContact CB-CB 4.3Å; P157-A160 HydrophobicContact CG-CB 3.85Å; P157-A160 VanDerWaalsContact O-CB 3.32Å; P157-A160 WeakPolarHBondContact O-CB 3.47Å; P157-A160 PolarHBondContact O-N 2.96Å; A160-P254 CarbonylContact O-C 3.58Å; A160-P254 WeakPolarHBondContact O-CA 3.35Å; A160-M255 PolarHBondContact O-N 2.82Å
161F94Very high95.5Very high25 Ų2526.6 Ų26.611%0.1114%0.144CC..EExtended strand (participates in β ladder)trans-94.1134.7179.1-86.8-118.8000109P126 P127 I128 F129 H159 L246 I252 Q253 P254 Y301P126-F161 HydrophobicContact CB-CD2 4.28Å; P126-F161 HydrophobicContact CG-CD2 3.43Å; P126-F161 VanDerWaalsContact CG-CD2 3.43Å; P126-F161 HydrophobicContact CG-CE2 3.51Å; P127-F161 PolarHBondContact O-N 2.95Å; I128-F161 CarbonylContact C-O 3.25Å; I128-F161 WeakPolarHBondContact CA-O 3.23Å; I128-F161 HydrophobicContact CB-CB 4.25Å; I128-F161 HydrophobicContact CG1-CB 3.82Å; I128-F161 HydrophobicContact CG2-CB 4.17Å; F129-F161 PolarHBondContact N-O 2.82Å; H159-F161 WeakPolarHBondContact O-CD2 3.24Å; F161-L246 HydrophobicContact CE1-CD1 4.46Å; F161-L246 HydrophobicContact CE2-CD1 4.06Å; F161-L246 HydrophobicContact CZ-CD1 3.77Å; F161-I252 HydrophobicContact CB-CG2 3.86Å; F161-I252 HydrophobicContact CD1-CG2 3.9Å; F161-I252 HydrophobicContact CG-CG2 4.39Å; F161-Q253 CarbonylContact C-O 3.51Å; F161-Q253 WeakPolarHBondContact CA-O 3.49Å; F161-P254 HydrophobicContact CD2-CG 4.39Å; F161-P254 HydrophobicContact CE1-CG 4.15Å; F161-P254 HydrophobicContact CE2-CB 4.36Å; F161-P254 HydrophobicContact CE2-CG 3.82Å; F161-P254 HydrophobicContact CZ-CG 3.69Å; F161-Y301 WeakPolarHBondContact CE1-OH 3.41Å
162V96.1Very high95.7Very high0 Ų026.2 Ų26.20%014%0.141CC..EExtended strand (participates in β ladder)trans-122.6144.4179.2-63.40000110.6F129 F131 L156 L176 I252 Q253 M255 C258 I262F129-V162 CarbonylContact O-C 3.39Å; F129-V162 VanDerWaalsContact O-CA 3.24Å; F129-V162 WeakPolarHBondContact O-CA 3.43Å; F131-V162 HydrophobicContact CE2-CG1 4.25Å; L156-V162 HydrophobicContact CD1-CG1 3.47Å; L156-V162 VanDerWaalsContact CD1-CG1 3.47Å; V162-L176 HydrophobicContact CG2-CD1 4.2Å; V162-L176 WeakPolarHBondContact O-CD1 3.3Å; V162-I252 CarbonylContact O-C 3.46Å; V162-I252 VanDerWaalsContact O-CA 3.28Å; V162-I252 WeakPolarHBondContact O-CA 3.29Å; V162-Q253 PolarHBondContact N-O 3.4Å; V162-Q253 PolarHBondContact O-N 2.88Å; V162-M255 HydrophobicContact CG1-SD 3.9Å; V162-M255 HydrophobicContact CG2-SD 4.07Å; V162-C258 WeakPolarHBondContact CG2-SG 3.49Å; V162-I262 HydrophobicContact CB-CD1 4.22Å; V162-I262 HydrophobicContact CG2-CD1 3.99Å
163G96.8Very high95.8Very high1 Ų126.2 Ų26.21%0.0114%0.141CC..EExtended strand (participates in β ladder)trans-134.7150.6170.500000110.2F129 I130 F131 F251F129-G163 PolarHBondContact O-N 3.15Å; I130-G163 CarbonylContact C-O 3.57Å; I130-G163 WeakPolarHBondContact CA-O 3.47Å; F131-G163 PolarHBondContact N-O 3.09Å; G163-F251 WeakPolarHBondContact CA-O 3.12Å
164L98.2Very high95.8Very high2 Ų226.7 Ų26.71%0.0114%0.143CC..EExtended strand (participates in β ladder)trans-127124.4-179.6179.864.3000110.6F131 I133 T166 H174 L176 I262 L265 L266F131-L164 HydrophobicContact CB-CD1 4.09Å; I133-L164 HydrophobicContact CD1-CD1 3.63Å; I133-L164 HydrophobicContact CG1-CD1 4.26Å; L164-T166 HydrophobicContact CD1-CG2 4.21Å; L164-T166 HydrophobicContact CG-CG2 4.34Å; L164-H174 HydrophobicContact CB-CB 4.21Å; L164-H174 HydrophobicContact CD2-CB 4.3Å; L164-H174 HydrophobicContact CG-CB 4.36Å; L164-H174 PolarHBondContact O-CD2 3.26Å; L164-H174 PolarHBondContact O-N 3.14Å; L164-L176 HydrophobicContact CB-CD2 4.43Å; L164-I262 HydrophobicContact CB-CD1 4.48Å; L164-I262 HydrophobicContact CD2-CG1 4.47Å; L164-L265 HydrophobicContact CD2-CB 4.22Å; L164-L265 HydrophobicContact CD2-CD1 4.33Å; L164-L266 HydrophobicContact CD1-CD2 4.39Å
165I98.6Very high95.9Very high1 Ų123.8 Ų23.81%0.00512%0.12CC..EExtended strand (participates in β ladder)trans-124.9132.2171.4-62.1175.2000107.2I130 F131 V132 I133 V171 H172 V173 I292 A293I130-I165 HydrophobicContact CG2-CD1 3.99Å; I130-I165 HydrophobicContact CG2-CG1 4.22Å; F131-I165 PolarHBondContact O-N 2.88Å; V132-I165 CarbonylContact C-O 3.58Å; V132-I165 VanDerWaalsContact CA-O 3.26Å; V132-I165 WeakPolarHBondContact CA-O 3.44Å; V132-I165 HydrophobicContact CG1-CB 4.42Å; V132-I165 HydrophobicContact CG1-CG2 4.21Å; V132-I165 HydrophobicContact CG2-CB 4.25Å; I133-I165 PolarHBondContact N-O 3.24Å; I165-V171 HydrophobicContact CG2-CG1 3.62Å; I165-H172 CarbonylContact C-O 3.44Å; I165-H172 VanDerWaalsContact CA-O 3.25Å; I165-H172 WeakPolarHBondContact CA-O 3.39Å; I165-V173 HydrophobicContact CG1-CG1 4.33Å; I165-V173 HydrophobicContact CG1-CG2 4.3Å; I165-I292 HydrophobicContact CD1-CG2 4.24Å; I165-A293 HydrophobicContact CD1-CB 3.75Å
166T98.6Very high95.9Very high6 Ų621.1 Ų21.14%0.03711%0.108CC..EExtended strand (participates in β ladder)trans-120.1148.8172.364.50000109.9I133 T135 L164 H172 H174 L269I133-T166 HydrophobicContact CB-CG2 4.26Å; I133-T166 CarbonylContact O-C 3.56Å; I133-T166 WeakPolarHBondContact O-CA 3.45Å; T135-T166 HydrophobicContact CG2-CG2 4.47Å; L164-T166 HydrophobicContact CD1-CG2 4.21Å; L164-T166 HydrophobicContact CG-CG2 4.34Å; T166-H172 PolarHBondContact N-O 3.33Å; T166-H172 PolarHBondContact O-N 3.07Å; T166-H174 WeakPolarHBondContact CG2-NE2 3.2Å; T166-H174 PolarHBondContact OG1-NE2 2.99Å; T166-L269 HydrophobicContact CG2-CD1 3.84Å; T166-L269 HydrophobicContact CG2-CD2 3.8Å; T166-L269 HydrophobicContact CG2-CG 4.5Å
167F98.7Very high95.5Very high0 Ų024.3 Ų24.30%012%0.123CC..EExtended strand (participates in β ladder)trans-145.3139.4-178.270.2-85.7000112.9V132 I133 D134 T135 M170 V171 V286 A289 L310 L312V132-F167 HydrophobicContact CG1-CD1 3.76Å; V132-F167 HydrophobicContact CG1-CE1 3.83Å; I133-F167 VanDerWaalsContact C-CE1 3.44Å; I133-F167 VanDerWaalsContact O-CD1 3.27Å; I133-F167 WeakPolarHBondContact O-CD1 3.49Å; I133-F167 PolarHBondContact O-N 2.71Å; D134-F167 CarbonylContact C-O 3.59Å; D134-F167 WeakPolarHBondContact CA-O 3.48Å; D134-F167 HydrophobicContact CB-CE1 4.05Å; D134-F167 HydrophobicContact CB-CE2 3.88Å; D134-F167 HydrophobicContact CB-CZ 3.51Å; D134-F167 VanDerWaalsContact N-CE1 3.34Å; T135-F167 PolarHBondContact N-O 2.88Å; T135-F167 VanDerWaalsContact OG1-C 3.31Å; T135-F167 PolarHBondContact OG1-O 3.24Å; T135-F167 VanDerWaalsContact OG1-O 3.11Å; F167-M170 WeakPolarHBondContact CA-O 3.36Å; F167-V171 HydrophobicContact CB-CB 4.48Å; F167-V171 HydrophobicContact CB-CG1 4.4Å; F167-V171 HydrophobicContact CB-CG2 3.97Å; F167-V286 HydrophobicContact CE2-CB 4.45Å; F167-V286 HydrophobicContact CE2-CG2 3.78Å; F167-V286 HydrophobicContact CZ-CG2 4.26Å; F167-A289 HydrophobicContact CB-CB 3.81Å; F167-A289 HydrophobicContact CD1-CB 3.74Å; F167-A289 HydrophobicContact CD2-CB 4.44Å; F167-A289 HydrophobicContact CE1-CB 4.46Å; F167-A289 HydrophobicContact CG-CB 3.73Å; F167-L310 HydrophobicContact CE1-CD1 3.62Å; F167-L310 HydrophobicContact CZ-CD1 3.85Å; F167-L312 HydrophobicContact CE2-CD1 4.34Å; F167-L312 HydrophobicContact CZ-CD1 4.01Å
168G98.3Very high94.2Very high1 Ų127.4 Ų27.41%0.0115%0.151CC..SBendtrans-138.4-114.1161.300000107.4T135 C136 M170 L283 S285T135-G168 PolarHBondContact OG1-N 2.84Å; C136-G168 WeakPolarHBondContact SG-CA 3.48Å; G168-M170 VanDerWaalsContact C-N 3.26Å; G168-M170 PolarHBondContact N-O 3.31Å; G168-M170 PolarHBondContact O-N 2.76Å; G168-L283 CarbonylContact C-O 3.43Å; G168-L283 VanDerWaalsContact O-O 3.07Å; G168-S285 WeakPolarHBondContact O-CB 3.38Å; G168-S285 PolarHBondContact O-N 2.85Å; G168-S285 VanDerWaalsContact O-N 3.09Å; G168-S285 PolarHBondContact O-OG 3.1Å
169K98.3Very high93.5Very high60 Ų6025.5 Ų25.526%0.26115%0.145SC..SBendtrans-66.5-31.9171.3-174.6-176.1-179.4179.90112.3D272 W274 L283 S285 Q318K169-D272 PolarHBondContact N-OD1 3.29Å; K169-D272 PolarHBondContact N-OD2 3.06Å; K169-W274 HydrophobicContact CB-CG 4Å; K169-W274 HydrophobicContact CD-CB 4.12Å; K169-W274 HydrophobicContact CD-CD2 3.47Å; K169-W274 VanDerWaalsContact CD-CD2 3.47Å; K169-W274 HydrophobicContact CD-CE3 3.98Å; K169-W274 HydrophobicContact CD-CG 3.52Å; K169-W274 HydrophobicContact CD-CZ2 4.4Å; K169-W274 HydrophobicContact CG-CG 4.42Å; K169-W274 VanDerWaalsContact NZ-CE3 3.3Å; K169-L283 WeakPolarHBondContact CA-O 3.08Å; K169-L283 HydrophobicContact CB-CB 4.04Å; K169-L283 HydrophobicContact CD-CD1 3.9Å; K169-L283 HydrophobicContact CG-CB 4.08Å; K169-L283 HydrophobicContact CG-CD1 3.85Å; K169-L283 PolarHBondContact N-O 3.3Å; K169-S285 PolarHBondContact O-OG 2.9Å; K169-Q318 PolarHBondContact O-NE2 2.77Å
170M98.4Very high93Very high44 Ų4427.7 Ų27.722%0.21717%0.168CC..EExtended strand (participates in β ladder)trans-118.6158.7176.4-58.2-62.8-75.500109F167 G168 V186 F187 K188 W274F167-M170 WeakPolarHBondContact CA-O 3.36Å; G168-M170 VanDerWaalsContact C-N 3.26Å; G168-M170 PolarHBondContact N-O 3.31Å; G168-M170 PolarHBondContact O-N 2.76Å; M170-V186 HydrophobicContact CB-CG1 3.85Å; M170-V186 HydrophobicContact CE-CG1 3.85Å; M170-V186 HydrophobicContact CG-CG1 4.37Å; M170-F187 WeakPolarHBondContact CE-O 3.46Å; M170-K188 HydrophobicContact CE-CB 4.37Å; M170-W274 HydrophobicContact CG-CZ2 4.45Å
171V98.6Very high92.7Very high0 Ų033.6 Ų33.60%020%0.198CC..EExtended strand (participates in β ladder)trans-108.8129.6176.1-176.50000109.2I165 F167 V186 F187 T288 A289 I292I165-V171 HydrophobicContact CG2-CG1 3.62Å; F167-V171 HydrophobicContact CB-CB 4.48Å; F167-V171 HydrophobicContact CB-CG1 4.4Å; F167-V171 HydrophobicContact CB-CG2 3.97Å; V171-V186 CarbonylContact O-C 3.38Å; V171-V186 WeakPolarHBondContact O-CA 3.25Å; V171-F187 HydrophobicContact CB-CB 4.32Å; V171-F187 PolarHBondContact N-O 3.32Å; V171-F187 PolarHBondContact O-N 3.05Å; V171-T288 HydrophobicContact CG2-CG2 3.81Å; V171-A289 HydrophobicContact CG1-CB 4.11Å; V171-A289 HydrophobicContact CG2-CB 4.05Å; V171-I292 HydrophobicContact CB-CD1 3.84Å; V171-I292 HydrophobicContact CG1-CD1 3.67Å; V171-I292 HydrophobicContact CG2-CD1 4.32Å
172H98.1Very high92.4Very high53 Ų5335.1 Ų35.125%0.24521%0.212CC..EExtended strand (participates in β ladder)trans-112.3123.9-179.2-68.3-109.4000109.7I165 T166 S184 W185I165-H172 CarbonylContact C-O 3.44Å; I165-H172 VanDerWaalsContact CA-O 3.25Å; I165-H172 WeakPolarHBondContact CA-O 3.39Å; T166-H172 PolarHBondContact N-O 3.33Å; T166-H172 PolarHBondContact O-N 3.07Å; H172-S184 PolarHBondContact ND1-OG 3.27Å; H172-S184 VanDerWaalsContact ND1-OG 3.16Å; H172-W185 CarbonylContact C-O 3.47Å; H172-W185 WeakPolarHBondContact CA-O 3.18Å
173V97.7Very high92.2Very high1 Ų140.6 Ų40.61%0.00624%0.236CC..EExtended strand (participates in β ladder)trans-102.9112.8170.3-172.70000107.7I165 S184 W185 F187 L202 F251 I292 L296I165-V173 HydrophobicContact CG1-CG1 4.33Å; I165-V173 HydrophobicContact CG1-CG2 4.3Å; V173-S184 CarbonylContact O-C 3.58Å; V173-S184 VanDerWaalsContact O-CA 3.26Å; V173-S184 WeakPolarHBondContact O-CA 3.38Å; V173-W185 HydrophobicContact CB-CB 4.42Å; V173-W185 PolarHBondContact N-O 3.48Å; V173-W185 PolarHBondContact O-N 2.99Å; V173-F187 HydrophobicContact CB-CE2 4.28Å; V173-F187 HydrophobicContact CG2-CD2 3.93Å; V173-F187 HydrophobicContact CG2-CE2 3.57Å; V173-L202 HydrophobicContact CG1-CD1 4.25Å; V173-F251 HydrophobicContact CB-CD1 4.38Å; V173-F251 HydrophobicContact CG1-CB 4.08Å; V173-F251 HydrophobicContact CG1-CD1 3.55Å; V173-F251 HydrophobicContact CG1-CE1 4.2Å; V173-F251 HydrophobicContact CG1-CG 3.91Å; V173-I292 HydrophobicContact CG2-CG2 3.51Å; V173-L296 HydrophobicContact CG1-CD2 4.37Å
174H96.4Very high92.1Very high13 Ų1342.8 Ų42.86%0.0625%0.25CS..EExtended strand (participates in β ladder)trans-83.8134.5-171.7-64.1-94.4000111.4L164 T166 F251 L265L164-H174 HydrophobicContact CB-CB 4.21Å; L164-H174 HydrophobicContact CD2-CB 4.3Å; L164-H174 HydrophobicContact CG-CB 4.36Å; L164-H174 PolarHBondContact O-CD2 3.26Å; L164-H174 PolarHBondContact O-N 3.14Å; T166-H174 WeakPolarHBondContact CG2-NE2 3.2Å; T166-H174 PolarHBondContact OG1-NE2 2.99Å; H174-F251 WeakPolarHBondContact O-CD1 3.48Å; H174-L265 HydrophobicContact CB-CD1 4.36Å
175E95Very high92Very high24 Ų2447.4 Ų47.411%0.11227%0.268CS..  trans-77.4124.2170.5-66.9-176.2-176.700108.5K183 W185 F251E175-K183 HydrophobicContact CB-CB 4.21Å; E175-K183 HydrophobicContact CG-CB 4.31Å; E175-K183 PolarHBondContact N-O 2.99Å; E175-K183 WeakPolarHBondContact OE2-CD 3.25Å; E175-W185 PolarHBondContact OE1-NE1 3.42Å; E175-F251 HydrophobicContact CG-CD1 3.98Å; E175-F251 HydrophobicContact CG-CE1 3.47Å; E175-F251 VanDerWaalsContact CG-CE1 3.47Å; E175-F251 HydrophobicContact CG-CZ 4.15Å
176L93.6Very high91.9Very high1 Ų151.1 Ų51.11%0.00529%0.29CS..  trans-105.521.7-178.2-61.7-177.4000112.3V162 L164 R250 Q253 C258 I262 L265V162-L176 HydrophobicContact CG2-CD1 4.2Å; V162-L176 WeakPolarHBondContact O-CD1 3.3Å; L164-L176 HydrophobicContact CB-CD2 4.43Å; L176-R250 PolarHBondContact N-O 3.46Å; L176-Q253 HydrophobicContact CB-CB 4.14Å; L176-Q253 HydrophobicContact CB-CG 4.1Å; L176-Q253 WeakPolarHBondContact O-CG 3.4Å; L176-C258 HydrophobicContact CB-CB 4.09Å; L176-C258 WeakPolarHBondContact O-CB 3.15Å; L176-I262 HydrophobicContact CD1-CD1 4.25Å; L176-I262 HydrophobicContact CD2-CB 4.31Å; L176-I262 HydrophobicContact CD2-CG1 4.35Å; L176-L265 HydrophobicContact CD2-CD1 3.71Å
177E85.8Confident91.9Very high80 Ų8051.2 Ų51.237%0.37429%0.29SS..SBendtrans-89140.2175.1-174.5170.4-139.600110.6G179 Y248 R250 L261E177-G179 PolarHBondContact O-N 3.44Å; E177-Y248 PolarHBondContact OE1-OH 3.08Å; E177-Y248 PolarHBondContact OE2-OH 2.68Å; E177-R250 VanDerWaalsContact OE2-CD 3.29Å; E177-R250 WeakPolarHBondContact OE2-CD 3.34Å; E177-R250 WeakPolarHBondContact OE2-CG 3.24Å; E177-L261 WeakPolarHBondContact O-CD2 3.27Å
178A64.3Low91.9Very high93 Ų9357.3 Ų57.377%0.76932%0.317SS*.  trans-62.788.4-175.400000112.4
179G75.5Confident91.9Very high37 Ų3757.3 Ų57.338%0.38132%0.317SS..  trans-122.9158.6166.600000110.5E177 I181E177-G179 PolarHBondContact O-N 3.44Å; G179-I181 PolarHBondContact O-N 3.39Å
180P79.6Confident91.9Very high140 Ų14057.7 Ų57.791%0.90932%0.324SS*.SBendtrans-72.8-4.9-179.730.3-36.1000113.9
181I85.5Confident91.8Very high123 Ų12359.5 Ų59.563%0.63133%0.331SS*.SBendtrans-131.7125.1-174.2-60.2169.5000108.1G179 K183G179-I181 PolarHBondContact O-N 3.39Å; I181-K183 PolarHBondContact O-N 3.49Å
182S88.3Confident91.8Very high57 Ų5763.1 Ų63.140%0.39935%0.35SS..  trans-60.1125.1171.5-61.90000111.2L265S182-L265 WeakPolarHBondContact OG-CD2 3.24Å
183K92.6Very high91.7Very high116 Ų11661.1 Ų61.150%0.50434%0.341SS..  trans-125.3142.2179.6-66.9174.3-170.7170.70110.5E175 I181E175-K183 HydrophobicContact CB-CB 4.21Å; E175-K183 HydrophobicContact CG-CB 4.31Å; E175-K183 PolarHBondContact N-O 2.99Å; E175-K183 WeakPolarHBondContact OE2-CD 3.25Å; I181-K183 PolarHBondContact O-N 3.49Å
184S94.3Very high91.6Very high46 Ų4664.5 Ų64.532%0.32236%0.361SS..EExtended strand (participates in β ladder)trans-141.2150.217163.20000111.7H172 V173H172-S184 PolarHBondContact ND1-OG 3.27Å; H172-S184 VanDerWaalsContact ND1-OG 3.16Å; V173-S184 CarbonylContact O-C 3.58Å; V173-S184 VanDerWaalsContact O-CA 3.26Å; V173-S184 WeakPolarHBondContact O-CA 3.38Å
185W95.7Very high91.3Very high100 Ų10064.2 Ų64.238%0.37936%0.361SS..EExtended strand (participates in β ladder)trans-91.6125.2170.6-84.967000110.2H172 V173 E175 F187 M201 L202 F251H172-W185 CarbonylContact C-O 3.47Å; H172-W185 WeakPolarHBondContact CA-O 3.18Å; V173-W185 HydrophobicContact CB-CB 4.42Å; V173-W185 PolarHBondContact N-O 3.48Å; V173-W185 PolarHBondContact O-N 2.99Å; E175-W185 PolarHBondContact OE1-NE1 3.42Å; W185-F187 HydrophobicContact CB-CE2 3.84Å; W185-M201 WeakPolarHBondContact CH2-O 3.29Å; W185-M201 VanDerWaalsContact CZ3-O 3.25Å; W185-M201 WeakPolarHBondContact CZ3-O 3.37Å; W185-L202 HydrophobicContact CB-CD2 3.91Å; W185-L202 HydrophobicContact CD2-CD2 3.67Å; W185-L202 HydrophobicContact CE3-CD2 3.83Å; W185-L202 HydrophobicContact CG-CD2 3.72Å; W185-F251 AromaticContact CD1-CE1 3.61Å; W185-F251 AromaticContact CD1-CZ 3.63Å; W185-F251 HydrophobicContact CG-CE1 4.21Å; W185-F251 HydrophobicContact CG-CZ 4.19Å; W185-F251 AromaticContact NE1-CZ 3.83Å
186V97.4Very high91.2Very high79 Ų7968.6 Ų68.648%0.47939%0.386SS..EExtended strand (participates in β ladder)trans-101.4122.9-174.9-1690000110.7M170 V171M170-V186 HydrophobicContact CB-CG1 3.85Å; M170-V186 HydrophobicContact CE-CG1 3.85Å; M170-V186 HydrophobicContact CG-CG1 4.37Å; V171-V186 CarbonylContact O-C 3.38Å; V171-V186 WeakPolarHBondContact O-CA 3.25Å
187F98.4Very high91.3Very high8 Ų871.8 Ų71.84%0.03540%0.401CS..EExtended strand (participates in β ladder)trans-110.7141.4178.5-66.7-95.6000110.9M170 V171 V173 W185 G189 Y193 I198 M201 L202 I292M170-F187 WeakPolarHBondContact CE-O 3.46Å; V171-F187 HydrophobicContact CB-CB 4.32Å; V171-F187 PolarHBondContact N-O 3.32Å; V171-F187 PolarHBondContact O-N 3.05Å; V173-F187 HydrophobicContact CB-CE2 4.28Å; V173-F187 HydrophobicContact CG2-CD2 3.93Å; V173-F187 HydrophobicContact CG2-CE2 3.57Å; W185-F187 HydrophobicContact CB-CE2 3.84Å; F187-G189 PolarHBondContact O-N 2.89Å; F187-Y193 HydrophobicContact CB-CE2 4.16Å; F187-Y193 HydrophobicContact CD1-CD1 4.2Å; F187-Y193 AromaticContact CD1-CE1 3.7Å; F187-Y193 HydrophobicContact CD1-CE1 3.7Å; F187-Y193 HydrophobicContact CD1-CE2 4.24Å; F187-Y193 AromaticContact CD1-CZ 3.73Å; F187-Y193 HydrophobicContact CE1-CE1 4.34Å; F187-I198 HydrophobicContact CE1-CD1 4Å; F187-I198 HydrophobicContact CZ-CD1 4.38Å; F187-M201 HydrophobicContact CE1-CB 4.4Å; F187-M201 HydrophobicContact CE1-SD 3.87Å; F187-L202 HydrophobicContact CE2-CD2 3.99Å; F187-L202 HydrophobicContact CZ-CD1 4.31Å; F187-L202 HydrophobicContact CZ-CD2 3.61Å; F187-L202 HydrophobicContact CZ-CG 3.97Å; F187-I292 HydrophobicContact CB-CD1 3.58Å; F187-I292 HydrophobicContact CD1-CD1 4.15Å; F187-I292 HydrophobicContact CD2-CD1 3.96Å; F187-I292 HydrophobicContact CG-CD1 3.64Å; F187-I292 HydrophobicContact CG-CG1 4.48Å
188K98Very high91.7Very high128 Ų12868 Ų6856%0.55738%0.383SS*.EExtended strand (participates in β ladder)trans-64.1117.4174.1-172.1177.8-174.8178.60110.2M170 T190 K191 Y193M170-K188 HydrophobicContact CE-CB 4.37Å; K188-T190 WeakPolarHBondContact CE-OG1 3.29Å; K188-T190 WeakPolarHBondContact CG-OG1 3.38Å; K188-T190 PolarHBondContact O-N 3.02Å; K188-T190 VanDerWaalsContact O-N 3.13Å; K188-K191 PolarHBondContact O-N 3.21Å; K188-Y193 PolarHBondContact N-OH 3.28Å; K188-Y193 PolarHBondContact O-OH 3.26Å
189G98Very high93Very high1 Ų165.7 Ų65.71%0.0136%0.356CS..THydrogen-bonded Turntrans-67.8-6.2-176.200000116.3F187 S285 T288F187-G189 PolarHBondContact O-N 2.89Å; G189-S285 WeakPolarHBondContact CA-OG 3.25Å; G189-S285 WeakPolarHBondContact O-CB 3.49Å; G189-T288 PolarHBondContact O-OG1 3.3Å
190T98.3Very high93.9Very high67 Ų6769.3 Ų69.341%0.41137%0.371SS..THydrogen-bonded Turntrans-100.6-1.3177.548.10000114K188 Q318K188-T190 WeakPolarHBondContact CE-OG1 3.29Å; K188-T190 WeakPolarHBondContact CG-OG1 3.38Å; K188-T190 PolarHBondContact O-N 3.02Å; K188-T190 VanDerWaalsContact O-N 3.13Å; T190-Q318 HydrophobicContact CG2-CB 4.29Å; T190-Q318 HydrophobicContact CG2-CG 4.41Å
191K98Very high94.5Very high83 Ų8365.8 Ų65.836%0.36134%0.343SS..SBendtrans-104139-178.9177.8172.4173.7-173.30110.3K188 Y193 T288K188-K191 PolarHBondContact O-N 3.21Å; K191-Y193 HydrophobicContact CB-CE2 3.78Å; K191-Y193 HydrophobicContact CD-CD1 4.35Å; K191-Y193 HydrophobicContact CD-CE1 3.68Å; K191-Y193 HydrophobicContact CD-CE2 4.36Å; K191-Y193 HydrophobicContact CG-CD1 4.48Å; K191-Y193 HydrophobicContact CG-CD2 4.35Å; K191-Y193 HydrophobicContact CG-CE1 4.07Å; K191-Y193 HydrophobicContact CG-CE2 3.92Å; K191-Y193 VanDerWaalsContact O-CD2 3.29Å; K191-Y193 WeakPolarHBondContact O-CD2 3.16Å; K191-Y193 WeakPolarHBondContact O-CE2 3.27Å; K191-T288 VanDerWaalsContact O-CG2 3.27Å; K191-T288 WeakPolarHBondContact O-CG2 3.21Å; K191-T288 PolarHBondContact O-OG1 3.39Å
192D97.3Very high94.9Very high76 Ų7660 Ų6041%0.40631%0.313SS..  trans-86.7138.7168.5-163.8-3.8000109.8S291 P320 H352D192-S291 PolarHBondContact OD1-OG 2.81Å; D192-S291 VanDerWaalsContact OD1-OG 3.08Å; D192-P320 HydrophobicContact CB-CB 4.06Å; D192-P320 HydrophobicContact CB-CG 3.93Å; D192-H352 IonicContact OD1-CE1 3.85Å; D192-H352 IonicContact OD2-CE1 3.73Å; D192-H352 PolarHBondContact OD2-CE1 3.01Å; D192-H352 IonicContact OD2-ND1 2.73Å; D192-H352 PolarHBondContact OD2-ND1 3.37Å
193Y97.1Very high95Very high11 Ų1161.7 Ų61.74%0.04333%0.325CS..  trans-124.2129.9-175.7-61-95.5000111.2F187 K188 K191 I198 M201 T288 I292 R359F187-Y193 HydrophobicContact CB-CE2 4.16Å; F187-Y193 HydrophobicContact CD1-CD1 4.2Å; F187-Y193 AromaticContact CD1-CE1 3.7Å; F187-Y193 HydrophobicContact CD1-CE1 3.7Å; F187-Y193 HydrophobicContact CD1-CE2 4.24Å; F187-Y193 AromaticContact CD1-CZ 3.73Å; F187-Y193 HydrophobicContact CE1-CE1 4.34Å; K188-Y193 PolarHBondContact N-OH 3.28Å; K188-Y193 PolarHBondContact O-OH 3.26Å; K191-Y193 HydrophobicContact CB-CE2 3.78Å; K191-Y193 HydrophobicContact CD-CD1 4.35Å; K191-Y193 HydrophobicContact CD-CE1 3.68Å; K191-Y193 HydrophobicContact CD-CE2 4.36Å; K191-Y193 HydrophobicContact CG-CD1 4.48Å; K191-Y193 HydrophobicContact CG-CD2 4.35Å; K191-Y193 HydrophobicContact CG-CE1 4.07Å; K191-Y193 HydrophobicContact CG-CE2 3.92Å; K191-Y193 VanDerWaalsContact O-CD2 3.29Å; K191-Y193 WeakPolarHBondContact O-CD2 3.16Å; K191-Y193 WeakPolarHBondContact O-CE2 3.27Å; Y193-I198 HydrophobicContact CD1-CD1 4.23Å; Y193-I198 HydrophobicContact CG-CD1 4.04Å; Y193-M201 HydrophobicContact CD1-SD 4.2Å; Y193-M201 HydrophobicContact CE1-CE 4.43Å; Y193-M201 HydrophobicContact CE1-SD 4.12Å; Y193-T288 HydrophobicContact CD2-CG2 3.87Å; Y193-T288 HydrophobicContact CE2-CG2 3.65Å; Y193-I292 HydrophobicContact CD2-CD1 4.19Å; Y193-I292 HydrophobicContact CD2-CG1 4.04Å; Y193-I292 HydrophobicContact CE2-CD1 4.33Å; Y193-I292 HydrophobicContact CG-CG1 4.42Å; Y193-R359 PolarHBondContact O-NH1 3.14Å
194T93.8Very high94.6Very high72 Ų7256.4 Ų56.444%0.44230%0.303SS..  trans-83.3156.6174.261.40000111.3N196 Q197 I198T194-N196 VanDerWaalsContact C-N 3.25Å; T194-N196 PolarHBondContact O-N 3.42Å; T194-Q197 WeakPolarHBondContact O-CB 3.44Å; T194-Q197 PolarHBondContact O-N 3.04Å; T194-Q197 VanDerWaalsContact OG1-CG 3.32Å; T194-Q197 WeakPolarHBondContact OG1-CG 3.49Å; T194-Q197 PolarHBondContact OG1-N 2.9Å; T194-Q197 PolarHBondContact OG1-OE1 3.41Å; T194-Q197 VanDerWaalsContact OG1-OE1 3.06Å; T194-I198 PolarHBondContact O-N 3.48Å; T194-I198 VanDerWaalsContact O-N 3.07Å
195G91Very high93.6Very high6 Ų654.5 Ų54.56%0.06229%0.29CS..Hα-helixtrans-52.7-42.1176.400000112.9Q197 I198 Q199 R359G195-Q197 PolarHBondContact O-N 2.91Å; G195-I198 PolarHBondContact O-N 3.13Å; G195-Q199 WeakPolarHBondContact O-CB 3.5Å; G195-Q199 PolarHBondContact O-N 3.01Å; G195-R359 VanDerWaalsContact N-NH2 3.17Å
196N93.3Very high92Very high116 Ų11659.8 Ų59.862%0.6231%0.31SS*.Hα-helixtrans-62.6-39.5176.4-68.3-11.9000113.1T194 Q199 V200T194-N196 VanDerWaalsContact C-N 3.25Å; T194-N196 PolarHBondContact O-N 3.42Å; N196-Q199 WeakPolarHBondContact O-CB 3.15Å; N196-Q199 PolarHBondContact O-N 2.76Å; N196-V200 WeakPolarHBondContact O-CG2 3.21Å; N196-V200 PolarHBondContact O-N 3.21Å
197Q94.8Very high89.6Confident68 Ų6860.6 Ų60.632%0.31832%0.319SS..Hα-helixtrans-66.1-42.7176.6-75167.4-38.300111.1T194 G195 Q199 V200 M201T194-Q197 WeakPolarHBondContact O-CB 3.44Å; T194-Q197 PolarHBondContact O-N 3.04Å; T194-Q197 VanDerWaalsContact OG1-CG 3.32Å; T194-Q197 WeakPolarHBondContact OG1-CG 3.49Å; T194-Q197 PolarHBondContact OG1-N 2.9Å; T194-Q197 PolarHBondContact OG1-OE1 3.41Å; T194-Q197 VanDerWaalsContact OG1-OE1 3.06Å; G195-Q197 PolarHBondContact O-N 2.91Å; Q197-Q199 VanDerWaalsContact C-N 3.34Å; Q197-V200 PolarHBondContact O-N 3.3Å; Q197-M201 VanDerWaalsContact O-CB 3.3Å; Q197-M201 WeakPolarHBondContact O-CB 3.43Å; Q197-M201 WeakPolarHBondContact O-CG 3.46Å; Q197-M201 PolarHBondContact O-N 3.06Å
198I94.5Very high86.5Confident0 Ų065.2 Ų65.20%035%0.352CS..Hα-helixtrans-62.6-43.7175.8-60.7-53.7000110.7F187 Y193 T194 G195 V200 M201 L202 I292 L296F187-I198 HydrophobicContact CE1-CD1 4Å; F187-I198 HydrophobicContact CZ-CD1 4.38Å; Y193-I198 HydrophobicContact CD1-CD1 4.23Å; Y193-I198 HydrophobicContact CG-CD1 4.04Å; T194-I198 PolarHBondContact O-N 3.48Å; T194-I198 VanDerWaalsContact O-N 3.07Å; G195-I198 PolarHBondContact O-N 3.13Å; I198-V200 PolarHBondContact O-N 2.97Å; I198-M201 PolarHBondContact O-N 3.41Å; I198-L202 HydrophobicContact CG2-CD1 3.73Å; I198-L202 HydrophobicContact CG2-CG 4.26Å; I198-L202 WeakPolarHBondContact O-CB 3.39Å; I198-L202 PolarHBondContact O-N 3.47Å; I198-I292 HydrophobicContact CD1-CB 4.28Å; I198-I292 HydrophobicContact CD1-CG1 3.77Å; I198-I292 HydrophobicContact CD1-CG2 4.22Å; I198-L296 HydrophobicContact CG2-CB 4.21Å
199Q92.3Very high83.3Confident45 Ų4564.3 Ų64.321%0.2136%0.357CS..Hα-helixtrans-54.6-50.4176.5-165.8-172.8-6.400111.9G195 N196 Q197 S203 V204 A299G195-Q199 WeakPolarHBondContact O-CB 3.5Å; G195-Q199 PolarHBondContact O-N 3.01Å; N196-Q199 WeakPolarHBondContact O-CB 3.15Å; N196-Q199 PolarHBondContact O-N 2.76Å; Q197-Q199 VanDerWaalsContact C-N 3.34Å; Q199-S203 VanDerWaalsContact O-CA 3.27Å; Q199-S203 WeakPolarHBondContact O-CA 3.28Å; Q199-S203 PolarHBondContact O-N 2.86Å; Q199-V204 WeakPolarHBondContact CG-O 3.24Å; Q199-V204 PolarHBondContact O-N 3.08Å; Q199-A299 HydrophobicContact CB-CB 3.86Å; Q199-A299 HydrophobicContact CG-CB 4.01Å
200V93.1Very high79.8Confident113 Ų11370.8 Ų70.869%0.68540%0.397SS*.Hα-helixtrans-68.6-46.6-179.3172.80000111.5N196 Q197 I198 S203N196-V200 WeakPolarHBondContact O-CG2 3.21Å; N196-V200 PolarHBondContact O-N 3.21Å; Q197-V200 PolarHBondContact O-N 3.3Å; I198-V200 PolarHBondContact O-N 2.97Å; V200-S203 PolarHBondContact O-N 3.41Å
201M93.9Very high76.4Confident67 Ų6774.2 Ų74.233%0.3341%0.413SS..Hα-helixtrans-66.3-42.4-176.1-72.2175.3174.700112.1W185 F187 Y193 Q197 I198W185-M201 WeakPolarHBondContact CH2-O 3.29Å; W185-M201 VanDerWaalsContact CZ3-O 3.25Å; W185-M201 WeakPolarHBondContact CZ3-O 3.37Å; F187-M201 HydrophobicContact CE1-CB 4.4Å; F187-M201 HydrophobicContact CE1-SD 3.87Å; Y193-M201 HydrophobicContact CD1-SD 4.2Å; Y193-M201 HydrophobicContact CE1-CE 4.43Å; Y193-M201 HydrophobicContact CE1-SD 4.12Å; Q197-M201 VanDerWaalsContact O-CB 3.3Å; Q197-M201 WeakPolarHBondContact O-CB 3.43Å; Q197-M201 WeakPolarHBondContact O-CG 3.46Å; Q197-M201 PolarHBondContact O-N 3.06Å; I198-M201 PolarHBondContact O-N 3.41Å
202L93Very high73.1Confident2 Ų274.9 Ų74.91%0.0143%0.434CS..Hα-helixtrans-91.4-5.5-178-62.6-173.4000113.4V173 W185 F187 I198 V204 F251 L296V173-L202 HydrophobicContact CG1-CD1 4.25Å; W185-L202 HydrophobicContact CB-CD2 3.91Å; W185-L202 HydrophobicContact CD2-CD2 3.67Å; W185-L202 HydrophobicContact CE3-CD2 3.83Å; W185-L202 HydrophobicContact CG-CD2 3.72Å; F187-L202 HydrophobicContact CE2-CD2 3.99Å; F187-L202 HydrophobicContact CZ-CD1 4.31Å; F187-L202 HydrophobicContact CZ-CD2 3.61Å; F187-L202 HydrophobicContact CZ-CG 3.97Å; I198-L202 HydrophobicContact CG2-CD1 3.73Å; I198-L202 HydrophobicContact CG2-CG 4.26Å; I198-L202 WeakPolarHBondContact O-CB 3.39Å; I198-L202 PolarHBondContact O-N 3.47Å; L202-V204 HydrophobicContact CB-CG1 3.88Å; L202-V204 HydrophobicContact CB-CG2 4.15Å; L202-V204 PolarHBondContact O-N 3.07Å; L202-F251 HydrophobicContact CB-CD2 4.27Å; L202-F251 HydrophobicContact CB-CE2 3.67Å; L202-F251 HydrophobicContact CB-CZ 4.28Å; L202-F251 HydrophobicContact CD1-CD2 4.24Å; L202-F251 HydrophobicContact CD1-CE2 4.2Å; L202-F251 HydrophobicContact CD2-CE1 4.28Å; L202-F251 HydrophobicContact CD2-CE2 3.95Å; L202-F251 HydrophobicContact CD2-CZ 3.69Å; L202-F251 HydrophobicContact CG-CE2 4.16Å; L202-F251 HydrophobicContact CG-CZ 4.4Å; L202-L296 HydrophobicContact CD1-CD1 4.14Å
203S89.5Confident69.7Low92 Ų9278.7 Ų78.764%0.64345%0.454SS*.THydrogen-bonded Turntrans53.338.7-174.6-57.50000113.1Q199 V200Q199-S203 VanDerWaalsContact O-CA 3.27Å; Q199-S203 WeakPolarHBondContact O-CA 3.28Å; Q199-S203 PolarHBondContact O-N 2.86Å; V200-S203 PolarHBondContact O-N 3.41Å
204V85.2Confident66.3Low5 Ų586.8 Ų86.83%0.0349%0.492CS..  trans-96.8158.7179.5-65.70000111.1Q199 L202 F251 L296 A299Q199-V204 WeakPolarHBondContact CG-O 3.24Å; Q199-V204 PolarHBondContact O-N 3.08Å; L202-V204 HydrophobicContact CB-CG1 3.88Å; L202-V204 HydrophobicContact CB-CG2 4.15Å; L202-V204 PolarHBondContact O-N 3.07Å; V204-F251 HydrophobicContact CG1-CD2 3.8Å; V204-F251 HydrophobicContact CG1-CE2 4.12Å; V204-L296 HydrophobicContact CB-CD1 4.36Å; V204-L296 HydrophobicContact CG1-CD1 3.99Å; V204-L296 HydrophobicContact CG2-CD1 4Å; V204-A299 HydrophobicContact CG2-CB 4Å
205G74.1Confident63Low6 Ų689.6 Ų89.66%0.06251%0.512CS..SBendtrans88.9-173.7176.400000114.7S207 A299G205-S207 VanDerWaalsContact C-N 3.25Å; G205-S207 PolarHBondContact O-N 2.95Å; G205-A299 WeakPolarHBondContact CA-O 3.46Å
206R62Low59.9Low211 Ų21193.6 Ų93.680%0.79654%0.544SS*.THydrogen-bonded Turntrans-79.220.6-163.7-64.7-172.9179.2-170-1.4116.3
207S45.3Very low56.8Low96 Ų9692 Ų9267%0.67154%0.542SS*.THydrogen-bonded Turntrans-110.89.6-173.1-60.60000115.7G205G205-S207 VanDerWaalsContact C-N 3.25Å; G205-S207 PolarHBondContact O-N 2.95Å
208S34.2Very low53.6Low104 Ų10493.8 Ų93.873%0.72756%0.557SS**SBendtrans-89.47.217368.30000115.2
209V30.9Very low50.5Low110 Ų110101.6 Ų101.667%0.66759%0.591SS**SBendtrans-119.399.1168.7-174.80000109.1N211V209-N211 VanDerWaalsContact C-N 3.26Å; V209-N211 PolarHBondContact O-N 3.38Å
210T25.2Very low47.2Very low137 Ų137104.1 Ų104.184%0.8461%0.607SS**  trans-60.488.9162460000109.2
211N26.1Very low44Very low139 Ų139103.3 Ų103.374%0.74361%0.612SS**  trans-129.193.8152.6-93.2-23000106.7V209 N213V209-N211 VanDerWaalsContact C-N 3.26Å; V209-N211 PolarHBondContact O-N 3.38Å; N211-N213 PolarHBondContact O-N 3.46Å
212A28.8Very low40.6Very low97 Ų97107 Ų10780%0.80263%0.633SS**  trans-6489.7166.700000107.8
213N25.8Very low37.4Very low156 Ų156109.7 Ų109.783%0.83465%0.652SS**  trans165.171.8157.4-85.3-19.1000109.4N211N211-N213 PolarHBondContact O-N 3.46Å
214Q24.5Very low34.3Very low181 Ų181110.7 Ų110.785%0.84666%0.656SS**  trans-163.1130.4152.2-110.5172.236.900110.2
215P25Very low31.5Very low131 Ų131117 Ų11785%0.85170%0.698SS**  trans-74.7136.2-170.922.4-21.4000112.2
216A26.4Very low29.2Very low89 Ų89120.4 Ų120.474%0.73673%0.732SS**  trans-63.1152.3174.400000113.1
217S27.7Very low27.6Very low82 Ų82114 Ų11457%0.57372%0.724SS**  trans80114.4159.877.70000118.8F219S217-F219 PolarHBondContact O-N 3.02Å
218V28.9Very low27Very low107 Ų107114.2 Ų114.265%0.64872%0.724SS**SBendtrans-78.6-6.7168.1-179.20000112.1K236V218-K236 PolarHBondContact O-NZ 3.43Å
219F28.1Very low27.5Very low163 Ų163115.2 Ų115.272%0.71572%0.715SS**SBendtrans-124.874.6172.3-66.8-78.3000110.4S217 A221S217-F219 PolarHBondContact O-N 3.02Å; F219-A221 PolarHBondContact O-N 3.33Å
220N23.3Very low28.3Very low99 Ų99110.6 Ų110.653%0.52969%0.69SS.*  trans-68.7113.1169.6-156.8-8000108.6N222N220-N222 PolarHBondContact O-N 2.77Å; N220-N222 PolarHBondContact OD1-N 3.3Å
221A25.3Very low29.8Very low96 Ų96104.9 Ų104.979%0.79365%0.654SS**SBendtrans-70.1-1.8174.500000113F219F219-A221 PolarHBondContact O-N 3.33Å
222N22.6Very low31.1Very low143 Ų14399.1 Ų99.177%0.76562%0.622SS**  trans-102.154.1178.6-71.4-9.7000113.1N220N220-N222 PolarHBondContact O-N 2.77Å; N220-N222 PolarHBondContact OD1-N 3.3Å
223S25.5Very low32.2Very low59 Ų5997.8 Ų97.841%0.41360%0.602SS.*SBendtrans-107.6140.5159.2-50.10000108.8K229S223-K229 PolarHBondContact OG-NZ 3.29Å
224P25.6Very low33.1Very low113 Ų11392.8 Ų92.873%0.73458%0.579SS**  trans-57.9145.3-173.8-7.112.9000111.7G226P224-G226 PolarHBondContact O-N 3.32Å; P224-G226 VanDerWaalsContact O-N 3.16Å
225P25.5Very low33.6Very low139 Ų13991.1 Ų91.190%0.90357%0.571SS**THydrogen-bonded Turntrans-66.5116.417914-6.9000108.7
226G27.2Very low34.1Very low77 Ų7790.9 Ų90.979%0.79456%0.556SS**THydrogen-bonded Turntrans153.7-15.9171.700000117.8P224 P228P224-G226 PolarHBondContact O-N 3.32Å; P224-G226 VanDerWaalsContact O-N 3.16Å; G226-P228 WeakPolarHBondContact O-CD 3.33Å
227A28.4Very low34.2Very low76 Ų7695.4 Ų95.463%0.62856%0.563SS**  trans-93.7116.3174.200000110.6K229A227-K229 PolarHBondContact O-N 2.73Å
228P32.2Very low34.6Very low101 Ų10197.6 Ų97.666%0.65656%0.562SS**  trans-69.295.9178.326.2-30.7000109.9G226 G230G226-P228 WeakPolarHBondContact O-CD 3.33Å; P228-G230 PolarHBondContact O-N 3.47Å; P228-G230 VanDerWaalsContact O-N 3.17Å
229K43.7Very low34.5Very low125 Ų125101.1 Ų101.154%0.54357%0.571SS.*  trans-74.498.6169.4-66.7178.5-177.4172.30107.3S223 A227S223-K229 PolarHBondContact OG-NZ 3.29Å; A227-K229 PolarHBondContact O-N 2.73Å
230G49.5Very low34.5Very low13 Ų13102.1 Ų102.113%0.13458%0.578CS.*  trans-64.6166.4174.500000112.1P228 Y232P228-G230 PolarHBondContact O-N 3.47Å; P228-G230 VanDerWaalsContact O-N 3.17Å; G230-Y232 PolarHBondContact O-N 3.39Å; G230-Y232 VanDerWaalsContact O-N 3.14Å
231V55.1Low35.1Very low16 Ų16101.2 Ų101.210%0.09758%0.578CS.*SBendtrans-54.6-34.4-178-176.40000112.4Q427 E429 V467 Q512V231-Q427 HydrophobicContact CG1-CB 4.23Å; V231-Q427 HydrophobicContact CG1-CG 4.39Å; V231-Q427 HydrophobicContact CG2-CG 4.44Å; V231-E429 HydrophobicContact CG2-CB 3.21Å; V231-E429 HydrophobicContact CG2-CG 4.34Å; V231-E429 PolarHBondContact N-OE2 3.37Å; V231-V467 HydrophobicContact CG2-CG1 4.49Å; V231-Q512 HydrophobicContact CG1-CB 3.57Å; V231-Q512 PolarHBondContact O-OE1 2.79Å; V231-Q512 VanDerWaalsContact O-OE1 3.07Å
232Y53.6Low35.3Very low18 Ų18105 Ų1057%0.07158%0.579CS.*  trans-113.4118.8179.2-165.7-93.7000112.5D57 P58 F60 R65 I119 G230 L522D57-Y232 PolarHBondContact OD1-OH 2.93Å; P58-Y232 HydrophobicContact CG-CD1 4.5Å; P58-Y232 HydrophobicContact CG-CE1 4.25Å; F60-Y232 HydrophobicContact CE1-CD1 4.2Å; F60-Y232 AromaticContact CE2-CD1 3.46Å; F60-Y232 HydrophobicContact CE2-CD1 3.46Å; F60-Y232 VanDerWaalsContact CE2-CD1 3.46Å; F60-Y232 AromaticContact CE2-CE1 3.82Å; F60-Y232 HydrophobicContact CE2-CE1 3.82Å; F60-Y232 HydrophobicContact CE2-CG 4.49Å; F60-Y232 AromaticContact CZ-CD1 3.13Å; F60-Y232 HydrophobicContact CZ-CD1 3.13Å; F60-Y232 AromaticContact CZ-CE1 3.87Å; F60-Y232 HydrophobicContact CZ-CE1 3.87Å; F60-Y232 AromaticContact CZ-CG 3.76Å; F60-Y232 HydrophobicContact CZ-CG 3.76Å; R65-Y232 PolarHBondContact NH2-O 3.47Å; I119-Y232 HydrophobicContact CB-CE2 4.48Å; I119-Y232 HydrophobicContact CD1-CD2 4.04Å; I119-Y232 HydrophobicContact CD1-CE2 3.61Å; I119-Y232 HydrophobicContact CG1-CE2 3.74Å; I119-Y232 HydrophobicContact CG2-CE2 3.93Å; G230-Y232 PolarHBondContact O-N 3.39Å; G230-Y232 VanDerWaalsContact O-N 3.14Å; Y232-L522 HydrophobicContact CD2-CD2 4.29Å; Y232-L522 HydrophobicContact CG-CD2 4.41Å
233N51.6Low35.9Very low70 Ų70106.1 Ų106.137%0.37458%0.582SS.*  trans-110.7108.2170-84-21.9000110E235N233-E235 VanDerWaalsContact C-N 3.3Å
234S45.5Very low36.9Very low50 Ų50105.5 Ų105.535%0.3558%0.58SS.*SBendtrans-74.4-20.716750.70000112.8
235E34.6Very low38.3Very low147 Ų147108.4 Ų108.469%0.68758%0.584SS**  trans-88.5-5-164.9-73.1172-15600115.6R65 N233 Q237R65-E235 IonicContact NH1-OE1 2.76Å; R65-E235 PolarHBondContact NH1-OE1 3.28Å; N233-E235 VanDerWaalsContact C-N 3.3Å; E235-Q237 VanDerWaalsContact C-N 3.25Å; E235-Q237 PolarHBondContact O-N 3.12Å
236K36.3Very low40.2Very low125 Ų125104.3 Ų104.354%0.54355%0.554SS.*SBendtrans-73.994160-75.8-168.4179.2-176.90106.2V218 F238V218-K236 PolarHBondContact O-NZ 3.43Å; K236-F238 WeakPolarHBondContact O-CD2 3.47Å; K236-F238 PolarHBondContact O-N 2.88Å
237Q27.5Very low42.3Very low185 Ų185101.9 Ų101.986%0.86452%0.524SS*.  trans-40.1106.7165.3-77.2177.8-900107.8E235 Q239E235-Q237 VanDerWaalsContact C-N 3.25Å; E235-Q237 PolarHBondContact O-N 3.12Å; Q237-Q239 VanDerWaalsContact C-N 3.27Å; Q237-Q239 PolarHBondContact O-N 3.23Å
238F36.1Very low44.3Very low127 Ų127105.1 Ų105.156%0.55752%0.521SS*.  trans-64.194.7177.2-74.6-96.7000106.3K236 Q240K236-F238 WeakPolarHBondContact O-CD2 3.47Å; K236-F238 PolarHBondContact O-N 2.88Å; F238-Q240 PolarHBondContact O-N 3.44Å
239Q28.1Very low46.6Very low181 Ų181100.6 Ų100.685%0.84649%0.491SS*.  trans-47.4126.6152-72.1179.4-4.700105.1Q237 P241Q237-Q239 VanDerWaalsContact C-N 3.27Å; Q237-Q239 PolarHBondContact O-N 3.23Å; Q239-P241 VanDerWaalsContact O-CD 3.28Å; Q239-P241 WeakPolarHBondContact O-CD 3.5Å
240Q26.4Very low48.9Very low185 Ų18598.4 Ų98.486%0.86448%0.479SS*.  trans-39.4114.5176.3-79.9175.4-4.400107.3F238 Q242F238-Q240 PolarHBondContact O-N 3.44Å; Q240-Q242 PolarHBondContact O-N 3.39Å
241P36.8Very low51.1Low79 Ų7997.8 Ų97.851%0.51347%0.473SS..  trans-64.9100.6173.823.4-27.5000104.3Q239 M243Q239-P241 VanDerWaalsContact O-CD 3.28Å; Q239-P241 WeakPolarHBondContact O-CD 3.5Å; P241-M243 PolarHBondContact O-N 2.94Å
242Q30.7Very low53Low176 Ų17697.1 Ų97.182%0.82247%0.469SS*.  trans-40.3121.3150.3-80.5179.8-13.500104.1Q240 A244Q240-Q242 PolarHBondContact O-N 3.39Å; Q242-A244 PolarHBondContact O-N 3.08Å
243M34.5Very low54.9Low167 Ų16797 Ų9782%0.82347%0.469SS*.  trans-45.599.4177-77.8174.47300106.2P241 Q245P241-M243 PolarHBondContact O-N 2.94Å; M243-Q245 PolarHBondContact O-N 3.36Å
244A47Very low56.9Low45 Ų4594 Ų9437%0.37245%0.454SS..  trans-7493.2-17900000101.6Q123 Q242 L246Q123-A244 PolarHBondContact NE2-O 3.11Å; Q123-A244 PolarHBondContact OE1-O 3.37Å; Q242-A244 PolarHBondContact O-N 3.08Å; A244-L246 PolarHBondContact O-N 3.47Å; A244-L246 VanDerWaalsContact O-N 3.08Å
245Q54Low59.1Low175 Ų17592 Ų9282%0.81844%0.439SS*.PPolyproline II helixtrans-47.6125.1174.1-73.6-179.5-16.600105.7M243M243-Q245 PolarHBondContact O-N 3.36Å
246L66.3Low61.9Low53 Ų5391 Ų9128%0.27743%0.434SS..PPolyproline II helixtrans-51.4135.9175.5-70.3167.9000106.9V125 P126 F161 A244 Y248 Y301V125-L246 HydrophobicContact CG1-CD2 4.12Å; P126-L246 HydrophobicContact CG-CD1 4.46Å; F161-L246 HydrophobicContact CE1-CD1 4.46Å; F161-L246 HydrophobicContact CE2-CD1 4.06Å; F161-L246 HydrophobicContact CZ-CD1 3.77Å; A244-L246 PolarHBondContact O-N 3.47Å; A244-L246 VanDerWaalsContact O-N 3.08Å; L246-Y248 PolarHBondContact O-N 2.98Å; L246-Y301 HydrophobicContact CB-CE1 4.3Å; L246-Y301 HydrophobicContact CD2-CD1 4.37Å; L246-Y301 HydrophobicContact CD2-CE1 4.08Å
247P69.6Low64.6Low25 Ų2592.9 Ų92.916%0.16244%0.438CS..PPolyproline II helixtrans-55.9130.1-175.722.3-30.9000108.7N249 A300 Y301P247-N249 PolarHBondContact O-N 3.33Å; P247-A300 WeakPolarHBondContact CG-O 3.5Å; P247-Y301 HydrophobicContact CG-CE1 4.42Å
248Y70.5Confident67.7Low145 Ų14584.1 Ų84.157%0.56940%0.397SS*.PPolyproline II helixtrans-57.8132.1174.3169.5-93.9000109.2E177 L246 R250E177-Y248 PolarHBondContact OE1-OH 3.08Å; E177-Y248 PolarHBondContact OE2-OH 2.68Å; L246-Y248 PolarHBondContact O-N 2.98Å; Y248-R250 HydrophobicContact CE1-CG 3.73Å; Y248-R250 VanDerWaalsContact OH-CG 3.23Å; Y248-R250 WeakPolarHBondContact OH-CG 3.31Å
249N82.3Confident70.4Confident5 Ų582.1 Ų82.13%0.02739%0.392CS..  trans-148.1121.9-178.3-179.9-9.9000109.7P247 F251 I252 Q253P247-N249 PolarHBondContact O-N 3.33Å; N249-F251 VanDerWaalsContact C-N 3.27Å; N249-F251 PolarHBondContact O-N 3.41Å; N249-F251 WeakPolarHBondContact OD1-CB 3.31Å; N249-F251 VanDerWaalsContact OD1-CD2 3.3Å; N249-F251 WeakPolarHBondContact OD1-CD2 3.38Å; N249-F251 PolarHBondContact OD1-N 3.43Å; N249-I252 VanDerWaalsContact O-O 3.13Å; N249-Q253 PolarHBondContact O-NE2 2.94Å
250R91Very high73.4Confident79 Ų7976.8 Ų76.830%0.29838%0.379SS..THydrogen-bonded Turntrans-72.6-16.3-179.8-63.8-178.6-66.5175.12.5114.5L176 E177 Y248L176-R250 PolarHBondContact N-O 3.46Å; E177-R250 VanDerWaalsContact OE2-CD 3.29Å; E177-R250 WeakPolarHBondContact OE2-CD 3.34Å; E177-R250 WeakPolarHBondContact OE2-CG 3.24Å; Y248-R250 HydrophobicContact CE1-CG 3.73Å; Y248-R250 VanDerWaalsContact OH-CG 3.23Å; Y248-R250 WeakPolarHBondContact OH-CG 3.31Å
251F95Very high76.6Confident1 Ų169.2 Ų69.20%0.00434%0.344CS..THydrogen-bonded Turntrans-98.6-17.2-175.1-52.6-75000113.5G163 V173 H174 E175 W185 L202 V204 N249 L296G163-F251 WeakPolarHBondContact CA-O 3.12Å; V173-F251 HydrophobicContact CB-CD1 4.38Å; V173-F251 HydrophobicContact CG1-CB 4.08Å; V173-F251 HydrophobicContact CG1-CD1 3.55Å; V173-F251 HydrophobicContact CG1-CE1 4.2Å; V173-F251 HydrophobicContact CG1-CG 3.91Å; H174-F251 WeakPolarHBondContact O-CD1 3.48Å; E175-F251 HydrophobicContact CG-CD1 3.98Å; E175-F251 HydrophobicContact CG-CE1 3.47Å; E175-F251 VanDerWaalsContact CG-CE1 3.47Å; E175-F251 HydrophobicContact CG-CZ 4.15Å; W185-F251 AromaticContact CD1-CE1 3.61Å; W185-F251 AromaticContact CD1-CZ 3.63Å; W185-F251 HydrophobicContact CG-CE1 4.21Å; W185-F251 HydrophobicContact CG-CZ 4.19Å; W185-F251 AromaticContact NE1-CZ 3.83Å; L202-F251 HydrophobicContact CB-CD2 4.27Å; L202-F251 HydrophobicContact CB-CE2 3.67Å; L202-F251 HydrophobicContact CB-CZ 4.28Å; L202-F251 HydrophobicContact CD1-CD2 4.24Å; L202-F251 HydrophobicContact CD1-CE2 4.2Å; L202-F251 HydrophobicContact CD2-CE1 4.28Å; L202-F251 HydrophobicContact CD2-CE2 3.95Å; L202-F251 HydrophobicContact CD2-CZ 3.69Å; L202-F251 HydrophobicContact CG-CE2 4.16Å; L202-F251 HydrophobicContact CG-CZ 4.4Å; V204-F251 HydrophobicContact CG1-CD2 3.8Å; V204-F251 HydrophobicContact CG1-CE2 4.12Å; N249-F251 VanDerWaalsContact C-N 3.27Å; N249-F251 PolarHBondContact O-N 3.41Å; N249-F251 WeakPolarHBondContact OD1-CB 3.31Å; N249-F251 VanDerWaalsContact OD1-CD2 3.3Å; N249-F251 WeakPolarHBondContact OD1-CD2 3.38Å; N249-F251 PolarHBondContact OD1-N 3.43Å; F251-L296 HydrophobicContact CB-CD2 4.29Å
252I94.8Very high79.4Confident1 Ų165.5 Ų65.51%0.00532%0.32CS..EExtended strand (participates in β ladder)trans-129.9108.3178.4-52.9177.7000107.8I128 I130 F161 V162 N249 L296 L297 Y301I128-I252 HydrophobicContact CG2-CG2 3.82Å; I130-I252 HydrophobicContact CD1-CD1 3.85Å; I130-I252 HydrophobicContact CD1-CG1 4.48Å; I130-I252 HydrophobicContact CG1-CD1 4.5Å; F161-I252 HydrophobicContact CB-CG2 3.86Å; F161-I252 HydrophobicContact CD1-CG2 3.9Å; F161-I252 HydrophobicContact CG-CG2 4.39Å; V162-I252 CarbonylContact O-C 3.46Å; V162-I252 VanDerWaalsContact O-CA 3.28Å; V162-I252 WeakPolarHBondContact O-CA 3.29Å; N249-I252 VanDerWaalsContact O-O 3.13Å; I252-L296 HydrophobicContact CD1-CD1 4.5Å; I252-L296 HydrophobicContact CD1-CD2 3.99Å; I252-L296 HydrophobicContact CD1-CG 3.91Å; I252-L296 HydrophobicContact CG1-CD2 4.11Å; I252-L296 HydrophobicContact CG1-CG 4.48Å; I252-L297 HydrophobicContact CD1-CD2 4.07Å; I252-Y301 HydrophobicContact CB-CE2 4.04Å; I252-Y301 HydrophobicContact CD1-CD2 3.92Å; I252-Y301 HydrophobicContact CD1-CE2 3.71Å; I252-Y301 HydrophobicContact CG1-CE2 4.44Å; I252-Y301 HydrophobicContact CG2-CE2 4Å
253Q94Very high82.4Confident15 Ų1559.2 Ų59.27%0.0729%0.294CS..EExtended strand (participates in β ladder)trans-125.3151.9-172.3-74.4-70.7-32.300111.6F161 V162 L176 N249 C258F161-Q253 CarbonylContact C-O 3.51Å; F161-Q253 WeakPolarHBondContact CA-O 3.49Å; V162-Q253 PolarHBondContact N-O 3.4Å; V162-Q253 PolarHBondContact O-N 2.88Å; L176-Q253 HydrophobicContact CB-CB 4.14Å; L176-Q253 HydrophobicContact CB-CG 4.1Å; L176-Q253 WeakPolarHBondContact O-CG 3.4Å; N249-Q253 PolarHBondContact O-NE2 2.94Å; Q253-C258 HydrophobicContact CB-CB 4.17Å
254P93.1Very high85.2Confident9 Ų955.5 Ų55.56%0.05828%0.277CS..EExtended strand (participates in β ladder)trans-57.4139.6169.5-20.631000111.5A160 F161 E256 R257 C258A160-P254 CarbonylContact O-C 3.58Å; A160-P254 WeakPolarHBondContact O-CA 3.35Å; F161-P254 HydrophobicContact CD2-CG 4.39Å; F161-P254 HydrophobicContact CE1-CG 4.15Å; F161-P254 HydrophobicContact CE2-CB 4.36Å; F161-P254 HydrophobicContact CE2-CG 3.82Å; F161-P254 HydrophobicContact CZ-CG 3.69Å; P254-E256 VanDerWaalsContact C-N 3.28Å; P254-E256 HydrophobicContact CB-CG 4.1Å; P254-E256 PolarHBondContact O-N 3.13Å; P254-R257 HydrophobicContact CB-CG 4.32Å; P254-R257 HydrophobicContact CG-CG 4.46Å; P254-R257 PolarHBondContact O-N 3.2Å; P254-C258 PolarHBondContact O-N 2.96Å; P254-C258 PolarHBondContact O-SG 3.44Å
255M93.4Very high87.5Confident8 Ų853.9 Ų53.94%0.03926%0.262CS..Hα-helixtrans-54-44.7-179.3-170.264.6-155.200111.5L153 L156 P158 A160 V162 R257 C258 D259 I262L153-M255 HydrophobicContact CB-CE 3.81Å; L153-M255 HydrophobicContact CD1-CE 4.36Å; L153-M255 HydrophobicContact CD2-CE 4.35Å; L153-M255 HydrophobicContact CD2-SD 4.25Å; L153-M255 HydrophobicContact CG-CE 4.41Å; L156-M255 HydrophobicContact CB-CG 4.48Å; L156-M255 HydrophobicContact CD1-SD 4.38Å; P158-M255 PolarHBondContact O-N 2.92Å; A160-M255 PolarHBondContact O-N 2.82Å; V162-M255 HydrophobicContact CG1-SD 3.9Å; V162-M255 HydrophobicContact CG2-SD 4.07Å; M255-R257 PolarHBondContact O-N 2.88Å; M255-C258 PolarHBondContact O-N 2.8Å; M255-C258 VanDerWaalsContact O-N 3.1Å; M255-D259 HydrophobicContact CE-CB 3.72Å; M255-D259 WeakPolarHBondContact CE-OD1 3.22Å; M255-D259 WeakPolarHBondContact O-CB 3.39Å; M255-D259 PolarHBondContact O-N 3.49Å; M255-I262 HydrophobicContact CE-CG2 4.14Å
256E92.9Very high89.5Confident125 Ų12545.6 Ų45.658%0.58422%0.224SC*.Hα-helixtrans-56.4-21.717870-175.9-175.600114.8P158 P254P158-E256 HydrophobicContact CB-CB 3.95Å; P158-E256 WeakPolarHBondContact O-CB 3.38Å; P158-E256 PolarHBondContact O-N 2.84Å; P254-E256 VanDerWaalsContact C-N 3.28Å; P254-E256 HydrophobicContact CB-CG 4.1Å; P254-E256 PolarHBondContact O-N 3.13Å
257R91.7Very high90.9Very high164 Ų16447 Ų4762%0.61924%0.235SC*.Hα-helixtrans-97.1-23.7-179-62.4-171.1-176.2-179.3-3.7113.7P254 M255P254-R257 HydrophobicContact CB-CG 4.32Å; P254-R257 HydrophobicContact CG-CG 4.46Å; P254-R257 PolarHBondContact O-N 3.2Å; M255-R257 PolarHBondContact O-N 2.88Å
258C93Very high92Very high1 Ų151.6 Ų51.61%0.00725%0.254CS..Hα-helixtrans-124.33.4-171.363.50000113.9V162 L176 Q253 P254 M255 A260 L261 I262V162-C258 WeakPolarHBondContact CG2-SG 3.49Å; L176-C258 HydrophobicContact CB-CB 4.09Å; L176-C258 WeakPolarHBondContact O-CB 3.15Å; Q253-C258 HydrophobicContact CB-CB 4.17Å; P254-C258 PolarHBondContact O-N 2.96Å; P254-C258 PolarHBondContact O-SG 3.44Å; M255-C258 PolarHBondContact O-N 2.8Å; M255-C258 VanDerWaalsContact O-N 3.1Å; C258-A260 PolarHBondContact O-N 3.31Å; C258-L261 PolarHBondContact O-N 3.3Å; C258-L261 VanDerWaalsContact O-N 3.09Å; C258-I262 WeakPolarHBondContact O-CG2 3.08Å; C258-I262 PolarHBondContact O-N 3.46Å
259D92.7Very high93.2Very high85 Ų8545.5 Ų45.546%0.45523%0.231SC..Hα-helixtrans-48.3-55.3-177.8-175.621.2000113.7M255 I262 T263M255-D259 HydrophobicContact CE-CB 3.72Å; M255-D259 WeakPolarHBondContact CE-OD1 3.22Å; M255-D259 WeakPolarHBondContact O-CB 3.39Å; M255-D259 PolarHBondContact O-N 3.49Å; D259-I262 WeakPolarHBondContact O-CG2 3.47Å; D259-T263 VanDerWaalsContact O-CB 3.27Å; D259-T263 WeakPolarHBondContact O-CB 3.38Å; D259-T263 PolarHBondContact O-N 2.96Å; D259-T263 VanDerWaalsContact O-N 3.08Å; D259-T263 PolarHBondContact O-OG1 3.28Å
260A92Very high93.8Very high69 Ų6951.5 Ų51.557%0.5726%0.259SS*.Hα-helixtrans-61.2-48.817700000111.4C258 I262 T263 D264C258-A260 PolarHBondContact O-N 3.31Å; A260-I262 PolarHBondContact O-N 2.83Å; A260-T263 PolarHBondContact O-N 2.83Å; A260-D264 WeakPolarHBondContact O-CB 3.34Å; A260-D264 PolarHBondContact O-N 3.45Å
261L93.8Very high94Very high27 Ų2750 Ų5014%0.14126%0.26CS..Hα-helixtrans-61.2-46.4-177.3177.163.2000112.7E177 C258 T263 D264 L265E177-L261 WeakPolarHBondContact O-CD2 3.27Å; C258-L261 PolarHBondContact O-N 3.3Å; C258-L261 VanDerWaalsContact O-N 3.09Å; L261-T263 VanDerWaalsContact C-N 3.33Å; L261-D264 PolarHBondContact O-N 3.06Å; L261-L265 HydrophobicContact CD1-CD1 4.33Å; L261-L265 HydrophobicContact CD1-CG 4.34Å; L261-L265 HydrophobicContact CG-CD1 4.15Å; L261-L265 WeakPolarHBondContact O-CB 3.47Å; L261-L265 VanDerWaalsContact O-CG 3.23Å; L261-L265 WeakPolarHBondContact O-CG 3.35Å; L261-L265 PolarHBondContact O-N 2.89Å
262I94.5Very high94.1Very high1 Ų151.3 Ų51.31%0.00527%0.266CS..Hα-helixtrans-69.3-34.7180-165.2171.7000111.1L153 V162 L164 L176 M255 C258 D259 A260 L266L153-I262 HydrophobicContact CD1-CD1 4.5Å; L153-I262 HydrophobicContact CD1-CG1 4.37Å; L153-I262 HydrophobicContact CD1-CG2 3.69Å; L153-I262 HydrophobicContact CD2-CD1 4.28Å; V162-I262 HydrophobicContact CB-CD1 4.22Å; V162-I262 HydrophobicContact CG2-CD1 3.99Å; L164-I262 HydrophobicContact CB-CD1 4.48Å; L164-I262 HydrophobicContact CD2-CG1 4.47Å; L176-I262 HydrophobicContact CD1-CD1 4.25Å; L176-I262 HydrophobicContact CD2-CB 4.31Å; L176-I262 HydrophobicContact CD2-CG1 4.35Å; M255-I262 HydrophobicContact CE-CG2 4.14Å; C258-I262 WeakPolarHBondContact O-CG2 3.08Å; C258-I262 PolarHBondContact O-N 3.46Å; D259-I262 WeakPolarHBondContact O-CG2 3.47Å; A260-I262 PolarHBondContact O-N 2.83Å; I262-L266 HydrophobicContact CG1-CD1 4.41Å; I262-L266 WeakPolarHBondContact O-CB 3.21Å; I262-L266 VanDerWaalsContact O-CG 3.23Å; I262-L266 WeakPolarHBondContact O-CG 3.19Å; I262-L266 PolarHBondContact O-N 2.88Å
263T94.4Very high94.1Very high43 Ų4356.5 Ų56.526%0.26430%0.3SS..Hα-helixtrans-66.9-43.1176-61.60000111.5Q150 D259 A260 L261 L266 T267Q150-T263 PolarHBondContact NE2-O 3.48Å; D259-T263 VanDerWaalsContact O-CB 3.27Å; D259-T263 WeakPolarHBondContact O-CB 3.38Å; D259-T263 PolarHBondContact O-N 2.96Å; D259-T263 VanDerWaalsContact O-N 3.08Å; D259-T263 PolarHBondContact O-OG1 3.28Å; A260-T263 PolarHBondContact O-N 2.83Å; L261-T263 VanDerWaalsContact C-N 3.33Å; T263-L266 PolarHBondContact O-N 2.83Å; T263-T267 PolarHBondContact O-N 2.79Å; T263-T267 PolarHBondContact O-OG1 2.82Å
264D93.8Very high94.1Very high89 Ų8961.4 Ų61.448%0.47632%0.318SS..Hα-helixtrans-63.6-48.7175.1-68.2-18.6000110.4A260 L261 L266 T267 E268A260-D264 WeakPolarHBondContact O-CB 3.34Å; A260-D264 PolarHBondContact O-N 3.45Å; L261-D264 PolarHBondContact O-N 3.06Å; D264-L266 VanDerWaalsContact C-N 3.34Å; D264-L266 PolarHBondContact O-N 2.81Å; D264-T267 WeakPolarHBondContact O-CB 3.38Å; D264-T267 PolarHBondContact O-N 2.81Å; D264-T267 VanDerWaalsContact O-N 3.1Å; D264-E268 WeakPolarHBondContact O-CB 3.38Å; D264-E268 WeakPolarHBondContact O-CG 3.49Å; D264-E268 PolarHBondContact O-N 3.01Å
265L94.6Very high94.2Very high11 Ų1166.7 Ų66.76%0.05835%0.353CS..Hα-helixtrans-53.9-50.2175-78.5171.6000111.4L164 H174 L176 S182 L261 T267 E268 L269L164-L265 HydrophobicContact CD2-CB 4.22Å; L164-L265 HydrophobicContact CD2-CD1 4.33Å; H174-L265 HydrophobicContact CB-CD1 4.36Å; L176-L265 HydrophobicContact CD2-CD1 3.71Å; S182-L265 WeakPolarHBondContact OG-CD2 3.24Å; L261-L265 HydrophobicContact CD1-CD1 4.33Å; L261-L265 HydrophobicContact CD1-CG 4.34Å; L261-L265 HydrophobicContact CG-CD1 4.15Å; L261-L265 WeakPolarHBondContact O-CB 3.47Å; L261-L265 VanDerWaalsContact O-CG 3.23Å; L261-L265 WeakPolarHBondContact O-CG 3.35Å; L261-L265 PolarHBondContact O-N 2.89Å; L265-T267 VanDerWaalsContact C-N 3.32Å; L265-T267 PolarHBondContact O-N 2.81Å; L265-E268 PolarHBondContact O-N 3.24Å; L265-L269 VanDerWaalsContact O-CG 3.32Å; L265-L269 WeakPolarHBondContact O-CG 3.25Å; L265-L269 PolarHBondContact O-N 3.17Å
266L95.8Very high94.3Very high1 Ų169.9 Ų69.91%0.00537%0.372CS..Hα-helixtrans-59.6-43.3178.1-74.8168.8000111.4I133 K146 I149 Q150 L153 L164 I262 T263 D264 E268 L269I133-L266 HydrophobicContact CD1-CD2 3.64Å; K146-L266 WeakPolarHBondContact CD-O 3.44Å; I149-L266 HydrophobicContact CG2-CD1 3.75Å; I149-L266 HydrophobicContact CG2-CD2 4.06Å; Q150-L266 HydrophobicContact CG-CB 3.98Å; Q150-L266 HydrophobicContact CG-CD1 3.83Å; L153-L266 HydrophobicContact CD1-CD1 3.54Å; L153-L266 HydrophobicContact CG-CD1 4.46Å; L164-L266 HydrophobicContact CD1-CD2 4.39Å; I262-L266 HydrophobicContact CG1-CD1 4.41Å; I262-L266 WeakPolarHBondContact O-CB 3.21Å; I262-L266 VanDerWaalsContact O-CG 3.23Å; I262-L266 WeakPolarHBondContact O-CG 3.19Å; I262-L266 PolarHBondContact O-N 2.88Å; T263-L266 PolarHBondContact O-N 2.83Å; D264-L266 VanDerWaalsContact C-N 3.34Å; D264-L266 PolarHBondContact O-N 2.81Å; L266-E268 VanDerWaalsContact C-N 3.35Å; L266-E268 PolarHBondContact O-N 3.16Å; L266-L269 HydrophobicContact CD2-CD1 4.03Å; L266-L269 PolarHBondContact O-N 3.27Å
267T95Very high94.5Very high84 Ų8468 Ų6852%0.51537%0.371SS..Hα-helixtrans-61.7-43.9178.1-55.30000111.5Q150 T263 D264 L265 L269Q150-T267 PolarHBondContact NE2-OG1 3.14Å; T263-T267 PolarHBondContact O-N 2.79Å; T263-T267 PolarHBondContact O-OG1 2.82Å; D264-T267 WeakPolarHBondContact O-CB 3.38Å; D264-T267 PolarHBondContact O-N 2.81Å; D264-T267 VanDerWaalsContact O-N 3.1Å; L265-T267 VanDerWaalsContact C-N 3.32Å; L265-T267 PolarHBondContact O-N 2.81Å; T267-L269 VanDerWaalsContact C-N 3.35Å
268E94Very high94.7Very high121 Ų12169.8 Ų69.857%0.56539%0.386SS*.Hα-helixtrans-77.8-15.7-176.9-68.8179.3175.200113.8D264 L265 L266 Q270D264-E268 WeakPolarHBondContact O-CB 3.38Å; D264-E268 WeakPolarHBondContact O-CG 3.49Å; D264-E268 PolarHBondContact O-N 3.01Å; L265-E268 PolarHBondContact O-N 3.24Å; L266-E268 VanDerWaalsContact C-N 3.35Å; L266-E268 PolarHBondContact O-N 3.16Å; E268-Q270 PolarHBondContact O-N 2.98Å; E268-Q270 PolarHBondContact O-NE2 3.3Å
269L95.7Very high94.9Very high17 Ų1771.6 Ų71.69%0.08941%0.405CS..  trans-54.4127.2179.8-82.8179000111.5I133 F142 K146 T166 L265 L266 T267I133-L269 HydrophobicContact CD1-CD1 4.3Å; F142-L269 HydrophobicContact CE1-CB 4.24Å; F142-L269 HydrophobicContact CZ-CB 4.03Å; K146-L269 HydrophobicContact CD-CB 4.17Å; K146-L269 PolarHBondContact NZ-O 3.12Å; T166-L269 HydrophobicContact CG2-CD1 3.84Å; T166-L269 HydrophobicContact CG2-CD2 3.8Å; T166-L269 HydrophobicContact CG2-CG 4.5Å; L265-L269 VanDerWaalsContact O-CG 3.32Å; L265-L269 WeakPolarHBondContact O-CG 3.25Å; L265-L269 PolarHBondContact O-N 3.17Å; L266-L269 HydrophobicContact CD2-CD1 4.03Å; L266-L269 PolarHBondContact O-N 3.27Å; T267-L269 VanDerWaalsContact C-N 3.35Å
270Q94.6Very high95.2Very high131 Ų13170.3 Ų70.361%0.61240%0.395SS*.  trans-105.4155.2176.7-59.3-55.5-56.800110.9E268E268-Q270 PolarHBondContact O-N 2.98Å; E268-Q270 PolarHBondContact O-NE2 3.3Å
271P95.6Very high95.4Very high48 Ų4868.1 Ų68.131%0.31237%0.372SS..SBendtrans-53.2156.2166.5-25.535.1000112.2T135 E139 F142T135-P271 CarbonylContact O-C 3.54Å; T135-P271 VanDerWaalsContact O-CA 3.31Å; T135-P271 WeakPolarHBondContact O-CA 3.33Å; E139-P271 HydrophobicContact CG-CG 4.36Å; F142-P271 HydrophobicContact CD1-CG 4.13Å
272D96.6Very high95.6Very high27 Ų2767.9 Ų67.914%0.14437%0.372CS..  trans-52.3122.1-179.3-170.656.5000109.8T135 K169 W274T135-D272 PolarHBondContact O-N 2.97Å; K169-D272 PolarHBondContact N-OD1 3.29Å; K169-D272 PolarHBondContact N-OD2 3.06Å; D272-W274 PolarHBondContact O-N 3.36Å; D272-W274 VanDerWaalsContact O-N 3.1Å
273P94.5Very high95.8Very high110 Ų11070.1 Ų70.171%0.71438%0.384SS*.  trans-76.2-2.1-167.630-37.3000113.5
274W94.7Very high96Very high119 Ų11969.2 Ų69.245%0.45138%0.376SS..SBendtrans-82.4124.8-175.8-64.294.3000110.7K169 M170 D272 V276K169-W274 HydrophobicContact CB-CG 4Å; K169-W274 HydrophobicContact CD-CB 4.12Å; K169-W274 HydrophobicContact CD-CD2 3.47Å; K169-W274 VanDerWaalsContact CD-CD2 3.47Å; K169-W274 HydrophobicContact CD-CE3 3.98Å; K169-W274 HydrophobicContact CD-CG 3.52Å; K169-W274 HydrophobicContact CD-CZ2 4.4Å; K169-W274 HydrophobicContact CG-CG 4.42Å; K169-W274 VanDerWaalsContact NZ-CE3 3.3Å; M170-W274 HydrophobicContact CG-CZ2 4.45Å; D272-W274 PolarHBondContact O-N 3.36Å; D272-W274 VanDerWaalsContact O-N 3.1Å; W274-V276 PolarHBondContact O-N 3.13Å
275P94.1Very high96.2Very high120 Ų12065 Ų6578%0.77935%0.353SS*.  trans-58.9133.5177.4-24.333.7000111.8P277P275-P277 WeakPolarHBondContact O-CD 3.5Å
276V96.6Very high96.4Very high74 Ų7464.5 Ų64.545%0.44835%0.35SS..  trans-94.3114174-174.90000108.4W274 K280 P282W274-V276 PolarHBondContact O-N 3.13Å; V276-K280 HydrophobicContact CG1-CB 4.3Å; V276-K280 WeakPolarHBondContact CG1-O 3.43Å; V276-P282 HydrophobicContact CG2-CB 3.93Å
277P96.5Very high96.5Very high85 Ų8564.4 Ų64.455%0.55235%0.35SS*.  trans-61.1151.6177.6-21.833.1000111.9P275 G279 K280P275-P277 WeakPolarHBondContact O-CD 3.5Å; P277-G279 PolarHBondContact O-N 2.84Å; P277-K280 HydrophobicContact CB-CB 4.34Å; P277-K280 HydrophobicContact CB-CG 3.91Å; P277-K280 HydrophobicContact CG-CG 4.27Å; P277-K280 WeakPolarHBondContact O-CB 3.27Å; P277-K280 PolarHBondContact O-N 2.86Å
278Q97Very high96.7Very high203 Ų20360.5 Ų60.595%0.94933%0.326SS*.THydrogen-bonded Turntrans-57.3135.6175.1-170.3-178.316.100110.9K280Q278-K280 PolarHBondContact O-N 3.46Å
279G96.8Very high97Very high38 Ų3854.7 Ų54.739%0.39230%0.299SS..THydrogen-bonded Turntrans79.73.6-177.200000114P277 L328P277-G279 PolarHBondContact O-N 2.84Å; G279-L328 VanDerWaalsContact O-CB 3.3Å; G279-L328 WeakPolarHBondContact O-CB 3.06Å; G279-L328 WeakPolarHBondContact O-CG 3.42Å; G279-L328 PolarHBondContact O-N 3.11Å
280K98Very high97.1Very high59 Ų5953.9 Ų53.926%0.25730%0.295SS..BIsolated β-bridgetrans-112.2154.9176.9-58.9-58.1-159.9169.70112.3V276 P277 Q278 D326 D327V276-K280 HydrophobicContact CG1-CB 4.3Å; V276-K280 WeakPolarHBondContact CG1-O 3.43Å; P277-K280 HydrophobicContact CB-CB 4.34Å; P277-K280 HydrophobicContact CB-CG 3.91Å; P277-K280 HydrophobicContact CG-CG 4.27Å; P277-K280 WeakPolarHBondContact O-CB 3.27Å; P277-K280 PolarHBondContact O-N 2.86Å; Q278-K280 PolarHBondContact O-N 3.46Å; K280-D326 CarbonylContact C-O 3.52Å; K280-D326 WeakPolarHBondContact CA-O 3.25Å; K280-D326 WeakPolarHBondContact CD-O 3.46Å; K280-D326 WeakPolarHBondContact CD-OD2 3.44Å; K280-D326 WeakPolarHBondContact CE-OD2 3.25Å; K280-D326 IonicContact NZ-OD1 2.87Å; K280-D326 IonicContact NZ-OD2 2.76Å; K280-D327 HydrophobicContact CD-CB 4.42Å; K280-D327 IonicContact NZ-OD2 3.21Å; K280-D327 PolarHBondContact NZ-OD2 3.32Å
281R97.2Very high97.3Very high22 Ų2247.7 Ų47.78%0.08327%0.266CS..  trans-84154.4167.2-60.9-176.7-178.582.59.9109.7T317 D325 D326 D327 L328 N330R281-T317 HydrophobicContact CB-CG2 4.05Å; R281-D325 PolarHBondContact NH1-O 3.28Å; R281-D326 PolarHBondContact N-O 3.02Å; R281-D327 VanDerWaalsContact NH1-C 3.29Å; R281-D327 PolarHBondContact NH1-O 3.43Å; R281-L328 HydrophobicContact CG-CD2 3.54Å; R281-L328 HydrophobicContact CG-CG 4.18Å; R281-N330 VanDerWaalsContact CZ-O 3.27Å; R281-N330 PolarHBondContact NH1-O 2.91Å; R281-N330 PolarHBondContact NH2-O 3.47Å
282P97.6Very high97.4Very high23 Ų2345.4 Ų45.415%0.14925%0.251CS..  trans-58.8148165.926.3-34.5000110.9C136 V276 R284 T317C136-P282 HydrophobicContact CB-CB 3.74Å; C136-P282 HydrophobicContact CB-CG 3.93Å; V276-P282 HydrophobicContact CG2-CB 3.93Å; P282-R284 PolarHBondContact O-N 3.03Å; P282-T317 PolarHBondContact O-OG1 2.94Å
283L98.4Very high97.5Very high47 Ų4744.1 Ų44.125%0.24624%0.244CC..  trans-80.5108.5177.1-66.2177.3000109.3G168 K169 T317 Q318 D326G168-L283 CarbonylContact C-O 3.43Å; G168-L283 VanDerWaalsContact O-O 3.07Å; K169-L283 WeakPolarHBondContact CA-O 3.08Å; K169-L283 HydrophobicContact CB-CB 4.04Å; K169-L283 HydrophobicContact CD-CD1 3.9Å; K169-L283 HydrophobicContact CG-CB 4.08Å; K169-L283 HydrophobicContact CG-CD1 3.85Å; K169-L283 PolarHBondContact N-O 3.3Å; L283-T317 VanDerWaalsContact CA-OG1 3.3Å; L283-T317 WeakPolarHBondContact CA-OG1 3.38Å; L283-Q318 HydrophobicContact CB-CG 4.23Å; L283-Q318 HydrophobicContact CD2-CB 4.4Å; L283-D326 HydrophobicContact CD2-CB 3.96Å
284R98.4Very high97.7Very high25 Ų2539 Ų399%0.09421%0.21CC..  trans-111.1120-177.6-73.4179.8176.2135.5-0.6110.7D134 C136 P282 V286 G313 P315 C316 T317 Q318D134-R284 IonicContact OD1-NE 3.32Å; D134-R284 IonicContact OD2-CZ 2.98Å; D134-R284 IonicContact OD2-NE 3.65Å; D134-R284 PolarHBondContact OD2-NE 2.85Å; C136-R284 HydrophobicContact CB-CG 3.71Å; C136-R284 PolarHBondContact O-NH2 2.82Å; P282-R284 PolarHBondContact O-N 3.03Å; R284-V286 HydrophobicContact CB-CG2 4.4Å; R284-V286 PolarHBondContact O-N 3.12Å; R284-G313 PolarHBondContact NH1-O 3.46Å; R284-G313 PolarHBondContact NH2-O 3.14Å; R284-P315 WeakPolarHBondContact CB-O 3.29Å; R284-P315 VanDerWaalsContact CD-O 3.31Å; R284-P315 WeakPolarHBondContact CD-O 3.11Å; R284-C316 PolarHBondContact O-SG 3.3Å; R284-T317 PolarHBondContact N-OG1 3.34Å; R284-T317 PolarHBondContact O-N 2.93Å; R284-Q318 PolarHBondContact O-N 3.22Å
285S98.6Very high97.8Very high0 Ų033.3 Ų33.30%019%0.189CC..  trans-100.948.2-173.1-45.70000113.6G168 K169 G189 G287 T288 A289 Q318G168-S285 WeakPolarHBondContact O-CB 3.38Å; G168-S285 PolarHBondContact O-N 2.85Å; G168-S285 VanDerWaalsContact O-N 3.09Å; G168-S285 PolarHBondContact O-OG 3.1Å; K169-S285 PolarHBondContact O-OG 2.9Å; G189-S285 WeakPolarHBondContact CA-OG 3.25Å; G189-S285 WeakPolarHBondContact O-CB 3.49Å; S285-G287 PolarHBondContact O-N 2.87Å; S285-T288 PolarHBondContact O-N 3.46Å; S285-A289 PolarHBondContact O-N 2.86Å; S285-Q318 PolarHBondContact OG-NE2 2.91Å
286V98.8Very high97.9Very high0 Ų027.7 Ų27.70%015%0.152CC..Hα-helixtrans-57.3-48.3-169.7-173.80000112.3F167 R284 T288 A289 L290 L310 L312 C316 L382F167-V286 HydrophobicContact CE2-CB 4.45Å; F167-V286 HydrophobicContact CE2-CG2 3.78Å; F167-V286 HydrophobicContact CZ-CG2 4.26Å; R284-V286 HydrophobicContact CB-CG2 4.4Å; R284-V286 PolarHBondContact O-N 3.12Å; V286-T288 PolarHBondContact O-N 3.33Å; V286-A289 PolarHBondContact O-N 3.39Å; V286-L290 HydrophobicContact CG1-CD1 4.08Å; V286-L290 PolarHBondContact O-N 3.41Å; V286-L310 HydrophobicContact CG1-CD1 4.46Å; V286-L310 HydrophobicContact CG1-CD2 3.97Å; V286-L312 HydrophobicContact CG1-CD1 4.35Å; V286-L312 HydrophobicContact CG2-CD1 3.54Å; V286-C316 HydrophobicContact CB-CB 3.76Å; V286-C316 HydrophobicContact CG2-CB 3.67Å; V286-L382 HydrophobicContact CG1-CD2 4.28Å
287G98.7Very high97.8Very high0 Ų024.1 Ų24.10%013%0.131CC..Hα-helixtrans-65.7-36.8-178.200000113S285 S291 P320 H352S285-G287 PolarHBondContact O-N 2.87Å; G287-S291 VanDerWaalsContact O-CB 3.29Å; G287-S291 WeakPolarHBondContact O-CB 3.39Å; G287-S291 PolarHBondContact O-N 3.11Å; G287-S291 PolarHBondContact O-OG 3.44Å; G287-P320 VanDerWaalsContact CA-O 3.3Å; G287-P320 WeakPolarHBondContact CA-O 3.34Å; G287-H352 PolarHBondContact O-NE2 3.03Å
288T98.8Very high97.7Very high1 Ų122.9 Ų22.91%0.00612%0.118CC..Hα-helixtrans-66.3-42.9173-66.50000111.5V171 G189 K191 Y193 S285 V286 L290 S291 I292 P320V171-T288 HydrophobicContact CG2-CG2 3.81Å; G189-T288 PolarHBondContact O-OG1 3.3Å; K191-T288 VanDerWaalsContact O-CG2 3.27Å; K191-T288 WeakPolarHBondContact O-CG2 3.21Å; K191-T288 PolarHBondContact O-OG1 3.39Å; Y193-T288 HydrophobicContact CD2-CG2 3.87Å; Y193-T288 HydrophobicContact CE2-CG2 3.65Å; S285-T288 PolarHBondContact O-N 3.46Å; V286-T288 PolarHBondContact O-N 3.33Å; T288-L290 PolarHBondContact O-N 2.94Å; T288-S291 PolarHBondContact O-N 3.24Å; T288-I292 HydrophobicContact CG2-CD1 3.74Å; T288-I292 HydrophobicContact CG2-CG1 4.49Å; T288-I292 WeakPolarHBondContact O-CD1 3.38Å; T288-I292 WeakPolarHBondContact O-CG1 3.39Å; T288-I292 PolarHBondContact O-N 2.85Å; T288-P320 WeakPolarHBondContact OG1-CD 3.34Å; T288-P320 WeakPolarHBondContact OG1-CG 3.24Å
289A98.8Very high97.4Very high0 Ų014 Ų140%08%0.079CC..Hα-helixtrans-60.3-45.9178.100000111.8V132 F167 V171 S285 V286 I292 A293V132-A289 HydrophobicContact CG1-CB 3.97Å; F167-A289 HydrophobicContact CB-CB 3.81Å; F167-A289 HydrophobicContact CD1-CB 3.74Å; F167-A289 HydrophobicContact CD2-CB 4.44Å; F167-A289 HydrophobicContact CE1-CB 4.46Å; F167-A289 HydrophobicContact CG-CB 3.73Å; V171-A289 HydrophobicContact CG1-CB 4.11Å; V171-A289 HydrophobicContact CG2-CB 4.05Å; S285-A289 PolarHBondContact O-N 2.86Å; V286-A289 PolarHBondContact O-N 3.39Å; A289-I292 PolarHBondContact O-N 2.83Å; A289-A293 WeakPolarHBondContact O-CB 3.49Å; A289-A293 PolarHBondContact O-N 3.17Å
290L98.8Very high97.1Very high0 Ų012.4 Ų12.40%06%0.062CC..Hα-helixtrans-66.1-38.7175-73.1170.7000112.8V286 T288 I292 A293 V294 V308 L310 Y353 L356 V367 L382 L385V286-L290 HydrophobicContact CG1-CD1 4.08Å; V286-L290 PolarHBondContact O-N 3.41Å; T288-L290 PolarHBondContact O-N 2.94Å; L290-I292 VanDerWaalsContact C-N 3.28Å; L290-I292 PolarHBondContact O-N 2.83Å; L290-A293 PolarHBondContact O-N 2.77Å; L290-V294 WeakPolarHBondContact O-CB 3.37Å; L290-V294 VanDerWaalsContact O-CG2 3.31Å; L290-V294 WeakPolarHBondContact O-CG2 3.17Å; L290-V294 PolarHBondContact O-N 3.09Å; L290-V308 HydrophobicContact CD2-CG1 4.2Å; L290-L310 HydrophobicContact CD1-CD2 4.09Å; L290-L310 HydrophobicContact CD2-CB 4.44Å; L290-L310 HydrophobicContact CD2-CD2 4.23Å; L290-L310 HydrophobicContact CG-CD2 4.36Å; L290-Y353 HydrophobicContact CD1-CD1 4.09Å; L290-Y353 HydrophobicContact CD1-CE1 3.85Å; L290-L356 HydrophobicContact CB-CD1 3.66Å; L290-V367 HydrophobicContact CD2-CG1 4.04Å; L290-L382 HydrophobicContact CD1-CD2 3.99Å; L290-L385 HydrophobicContact CD1-CD1 3.49Å; L290-L385 VanDerWaalsContact CD1-CD1 3.49Å
291S98.6Very high96.8Very high0 Ų010 Ų100%05%0.052CC..Hα-helixtrans-60.5-40176.4-620000112D192 G287 T288 G295 H352D192-S291 PolarHBondContact OD1-OG 2.81Å; D192-S291 VanDerWaalsContact OD1-OG 3.08Å; G287-S291 VanDerWaalsContact O-CB 3.29Å; G287-S291 WeakPolarHBondContact O-CB 3.39Å; G287-S291 PolarHBondContact O-N 3.11Å; G287-S291 PolarHBondContact O-OG 3.44Å; T288-S291 PolarHBondContact O-N 3.24Å; S291-G295 PolarHBondContact O-N 3.39Å; S291-H352 PolarHBondContact OG-CE1 2.91Å
292I98.6Very high96.5Very high0 Ų011.5 Ų11.50%07%0.065CC..Hα-helixtrans-69.3-47.1175.1-67.7160.6000110.6I165 V171 V173 F187 Y193 I198 T288 A289 L290 G295 L296I165-I292 HydrophobicContact CD1-CG2 4.24Å; V171-I292 HydrophobicContact CB-CD1 3.84Å; V171-I292 HydrophobicContact CG1-CD1 3.67Å; V171-I292 HydrophobicContact CG2-CD1 4.32Å; V173-I292 HydrophobicContact CG2-CG2 3.51Å; F187-I292 HydrophobicContact CB-CD1 3.58Å; F187-I292 HydrophobicContact CD1-CD1 4.15Å; F187-I292 HydrophobicContact CD2-CD1 3.96Å; F187-I292 HydrophobicContact CG-CD1 3.64Å; F187-I292 HydrophobicContact CG-CG1 4.48Å; Y193-I292 HydrophobicContact CD2-CD1 4.19Å; Y193-I292 HydrophobicContact CD2-CG1 4.04Å; Y193-I292 HydrophobicContact CE2-CD1 4.33Å; Y193-I292 HydrophobicContact CG-CG1 4.42Å; I198-I292 HydrophobicContact CD1-CB 4.28Å; I198-I292 HydrophobicContact CD1-CG1 3.77Å; I198-I292 HydrophobicContact CD1-CG2 4.22Å; T288-I292 HydrophobicContact CG2-CD1 3.74Å; T288-I292 HydrophobicContact CG2-CG1 4.49Å; T288-I292 WeakPolarHBondContact O-CD1 3.38Å; T288-I292 WeakPolarHBondContact O-CG1 3.39Å; T288-I292 PolarHBondContact O-N 2.85Å; A289-I292 PolarHBondContact O-N 2.83Å; L290-I292 VanDerWaalsContact C-N 3.28Å; L290-I292 PolarHBondContact O-N 2.83Å; I292-G295 PolarHBondContact O-N 3.47Å; I292-L296 VanDerWaalsContact O-CB 3.27Å; I292-L296 WeakPolarHBondContact O-CB 3.48Å; I292-L296 PolarHBondContact O-N 3.16Å
293A98.5Very high96.1Very high0 Ų013.3 Ų13.30%07%0.073CC..Hα-helixtrans-60.3-49.1179.500000112.2V132 I165 A289 L290 L296 L297 V308V132-A293 HydrophobicContact CG2-CB 3.97Å; I165-A293 HydrophobicContact CD1-CB 3.75Å; A289-A293 WeakPolarHBondContact O-CB 3.49Å; A289-A293 PolarHBondContact O-N 3.17Å; L290-A293 PolarHBondContact O-N 2.77Å; A293-L296 PolarHBondContact O-N 3.18Å; A293-L297 PolarHBondContact O-N 3.32Å; A293-L297 VanDerWaalsContact O-N 3.15Å; A293-V308 HydrophobicContact CB-CG1 3.95Å; A293-V308 HydrophobicContact CB-CG2 4.2Å
294V98.3Very high95.6Very high2 Ų211.9 Ų11.91%0.0127%0.066CC..Hα-helixtrans-63.5-43.4175.8173.40000110.5L290 L296 L297 E298 R359 A360L290-V294 WeakPolarHBondContact O-CB 3.37Å; L290-V294 VanDerWaalsContact O-CG2 3.31Å; L290-V294 WeakPolarHBondContact O-CG2 3.17Å; L290-V294 PolarHBondContact O-N 3.09Å; V294-L296 PolarHBondContact O-N 3.16Å; V294-L297 PolarHBondContact O-N 3.1Å; V294-E298 WeakPolarHBondContact O-CB 3.36Å; V294-E298 PolarHBondContact O-N 3.38Å; V294-R359 HydrophobicContact CG1-CB 3.83Å; V294-A360 HydrophobicContact CG1-CB 4.33Å; V294-A360 HydrophobicContact CG2-CB 4.21Å
295G96.7Very high95.3Very high0 Ų010.7 Ų10.70%06%0.061CC..Hα-helixtrans-63.7-36.7177.800000113.8S291 I292 A299S291-G295 PolarHBondContact O-N 3.39Å; I292-G295 PolarHBondContact O-N 3.47Å; G295-A299 VanDerWaalsContact O-CB 3.25Å; G295-A299 WeakPolarHBondContact O-CB 3.35Å; G295-A299 PolarHBondContact O-N 3.14Å
296L96.1Very high95.1Very high2 Ų210.7 Ų10.71%0.016%0.061CC..Hα-helixtrans-65.9-46.6177177.259.6000111I130 V173 I198 L202 V204 F251 I252 I292 A293 V294 A299 A300I130-L296 HydrophobicContact CD1-CD2 4.23Å; V173-L296 HydrophobicContact CG1-CD2 4.37Å; I198-L296 HydrophobicContact CG2-CB 4.21Å; L202-L296 HydrophobicContact CD1-CD1 4.14Å; V204-L296 HydrophobicContact CB-CD1 4.36Å; V204-L296 HydrophobicContact CG1-CD1 3.99Å; V204-L296 HydrophobicContact CG2-CD1 4Å; F251-L296 HydrophobicContact CB-CD2 4.29Å; I252-L296 HydrophobicContact CD1-CD1 4.5Å; I252-L296 HydrophobicContact CD1-CD2 3.99Å; I252-L296 HydrophobicContact CD1-CG 3.91Å; I252-L296 HydrophobicContact CG1-CD2 4.11Å; I252-L296 HydrophobicContact CG1-CG 4.48Å; I292-L296 VanDerWaalsContact O-CB 3.27Å; I292-L296 WeakPolarHBondContact O-CB 3.48Å; I292-L296 PolarHBondContact O-N 3.16Å; A293-L296 PolarHBondContact O-N 3.18Å; V294-L296 PolarHBondContact O-N 3.16Å; L296-A299 PolarHBondContact O-N 2.89Å; L296-A300 VanDerWaalsContact O-CB 3.25Å; L296-A300 WeakPolarHBondContact O-CB 3.5Å; L296-A300 PolarHBondContact O-N 3.44Å
297L95.5Very high95.1Very high0 Ų010.9 Ų10.90%06%0.062CC..Hα-helixtrans-67.8-42.7176.5-71.6175000112.4I128 I130 I252 A293 V294 A299 A300 Y301 A306 V308 H365I128-L297 HydrophobicContact CG2-CD2 4.02Å; I130-L297 HydrophobicContact CD1-CD1 3.9Å; I130-L297 HydrophobicContact CD1-CD2 3.55Å; I130-L297 HydrophobicContact CD1-CG 3.48Å; I130-L297 VanDerWaalsContact CD1-CG 3.48Å; I130-L297 HydrophobicContact CG1-CD1 4.48Å; I130-L297 HydrophobicContact CG1-CD2 4.21Å; I130-L297 HydrophobicContact CG1-CG 4.43Å; I252-L297 HydrophobicContact CD1-CD2 4.07Å; A293-L297 PolarHBondContact O-N 3.32Å; A293-L297 VanDerWaalsContact O-N 3.15Å; V294-L297 PolarHBondContact O-N 3.1Å; L297-A299 VanDerWaalsContact C-N 3.26Å; L297-A299 PolarHBondContact O-N 2.88Å; L297-A300 PolarHBondContact O-N 3.25Å; L297-Y301 HydrophobicContact CD2-CD2 4.39Å; L297-Y301 CarbonylContact O-C 3.57Å; L297-Y301 VanDerWaalsContact O-C 3.25Å; L297-Y301 WeakPolarHBondContact O-CA 3.37Å; L297-Y301 PolarHBondContact O-N 2.94Å; L297-A306 HydrophobicContact CD1-CB 3.82Å; L297-A306 HydrophobicContact CD2-CB 3.71Å; L297-A306 HydrophobicContact CG-CB 4.36Å; L297-V308 HydrophobicContact CD1-CG2 3.56Å; L297-H365 VanDerWaalsContact CB-CD2 3.5Å; L297-H365 WeakPolarHBondContact CB-CD2 3.46Å; L297-H365 WeakPolarHBondContact CB-NE2 3.39Å; L297-H365 HydrophobicContact CD1-CB 4.36Å
298E92.6Very high95.1Very high58 Ų5811 Ų1127%0.2716%0.063SC..Hα-helixtrans-56.8-40.8175.5175.3176.3-163.800111.6V294 P302 R359V294-E298 WeakPolarHBondContact O-CB 3.36Å; V294-E298 PolarHBondContact O-N 3.38Å; E298-P302 WeakPolarHBondContact O-CD 3.47Å; E298-R359 IonicContact OE2-CZ 3.75Å; E298-R359 IonicContact OE2-NE 3.08Å; E298-R359 PolarHBondContact OE2-NE 3.2Å; E298-R359 IonicContact OE2-NH2 3.68Å; E298-R359 PolarHBondContact OE2-NH2 3.49Å
299A91.9Very high95.1Very high16 Ų1610.9 Ų10.913%0.1326%0.062CC..Hα-helixtrans-77.6-40.218000000113.5Q199 V204 G205 G295 L296 L297Q199-A299 HydrophobicContact CB-CB 3.86Å; Q199-A299 HydrophobicContact CG-CB 4.01Å; V204-A299 HydrophobicContact CG2-CB 4Å; G205-A299 WeakPolarHBondContact CA-O 3.46Å; G295-A299 VanDerWaalsContact O-CB 3.25Å; G295-A299 WeakPolarHBondContact O-CB 3.35Å; G295-A299 PolarHBondContact O-N 3.14Å; L296-A299 PolarHBondContact O-N 2.89Å; L297-A299 VanDerWaalsContact C-N 3.26Å; L297-A299 PolarHBondContact O-N 2.88Å
300A90.9Very high95.1Very high6 Ų610.9 Ų10.95%0.056%0.062CC..Hα-helixtrans-93.6-38.5-172.200000113.6P247 L296 L297P247-A300 WeakPolarHBondContact CG-O 3.5Å; L296-A300 VanDerWaalsContact O-CB 3.25Å; L296-A300 WeakPolarHBondContact O-CB 3.5Å; L296-A300 PolarHBondContact O-N 3.44Å; L297-A300 PolarHBondContact O-N 3.25Å
301Y90.7Very high95.1Very high7 Ų710.9 Ų10.93%0.0276%0.062CC..SBendtrans-138.446.4-168.6-60.8-75.6000114.2I128 F161 L246 P247 I252 L297 T304 H365I128-Y301 HydrophobicContact CD1-CD1 3.68Å; I128-Y301 HydrophobicContact CD1-CD2 3.71Å; I128-Y301 HydrophobicContact CD1-CE1 4.24Å; I128-Y301 HydrophobicContact CD1-CE2 4.26Å; I128-Y301 HydrophobicContact CD1-CG 3.4Å; I128-Y301 VanDerWaalsContact CD1-CG 3.4Å; F161-Y301 WeakPolarHBondContact CE1-OH 3.41Å; L246-Y301 HydrophobicContact CB-CE1 4.3Å; L246-Y301 HydrophobicContact CD2-CD1 4.37Å; L246-Y301 HydrophobicContact CD2-CE1 4.08Å; P247-Y301 HydrophobicContact CG-CE1 4.42Å; I252-Y301 HydrophobicContact CB-CE2 4.04Å; I252-Y301 HydrophobicContact CD1-CD2 3.92Å; I252-Y301 HydrophobicContact CD1-CE2 3.71Å; I252-Y301 HydrophobicContact CG1-CE2 4.44Å; I252-Y301 HydrophobicContact CG2-CE2 4Å; L297-Y301 HydrophobicContact CD2-CD2 4.39Å; L297-Y301 CarbonylContact O-C 3.57Å; L297-Y301 VanDerWaalsContact O-C 3.25Å; L297-Y301 WeakPolarHBondContact O-CA 3.37Å; L297-Y301 PolarHBondContact O-N 2.94Å; Y301-T304 WeakPolarHBondContact O-CB 3.5Å; Y301-T304 PolarHBondContact O-N 3.48Å; Y301-T304 PolarHBondContact O-OG1 3.4Å; Y301-T304 VanDerWaalsContact O-OG1 3.11Å; Y301-H365 PolarHBondContact O-CE1 2.97Å
302P91Very high95.1Very high55 Ų5510.9 Ų10.936%0.3576%0.062SC..THydrogen-bonded Turntrans-60.1145.5-17928.3-36.3000111.9E298 T304 N363E298-P302 WeakPolarHBondContact O-CD 3.47Å; P302-T304 PolarHBondContact O-N 3.22Å; P302-T304 PolarHBondContact O-OG1 2.71Å; P302-N363 WeakPolarHBondContact CB-OD1 3.31Å
303N89.5Confident95Very high61 Ų6111.5 Ų11.533%0.3267%0.069SC..THydrogen-bonded Turntrans59.731.8-179.6-48.2-77.5000114N363 L364N303-N363 VanDerWaalsContact CA-O 3.24Å; N303-N363 WeakPolarHBondContact CA-O 3.18Å; N303-N363 PolarHBondContact N-O 3Å; N303-L364 HydrophobicContact CB-CD1 4.23Å
304T88.8Confident95Very high16 Ų1611.5 Ų11.510%0.0987%0.069CC..SBendtrans-119.4143.5179.4-56.70000109.7V125 I128 Y301 P302 A306 H365V125-T304 HydrophobicContact CB-CG2 4.18Å; V125-T304 HydrophobicContact CG1-CG2 3.34Å; I128-T304 HydrophobicContact CD1-CG2 3.79Å; Y301-T304 WeakPolarHBondContact O-CB 3.5Å; Y301-T304 PolarHBondContact O-N 3.48Å; Y301-T304 PolarHBondContact O-OG1 3.4Å; Y301-T304 VanDerWaalsContact O-OG1 3.11Å; P302-T304 PolarHBondContact O-N 3.22Å; P302-T304 PolarHBondContact O-OG1 2.71Å; T304-A306 PolarHBondContact O-N 3.15Å; T304-H365 PolarHBondContact O-CE1 3.48Å; T304-H365 PolarHBondContact O-ND1 3.49Å; T304-H365 VanDerWaalsContact O-ND1 3.08Å
305G91Very high95Very high0 Ų011.7 Ų11.70%07%0.07CC..  trans-61.498.7171.600000111.6I128I128-G305 PolarHBondContact N-O 2.95Å
306A95.4Very high95.1Very high0 Ų011.8 Ų11.80%07%0.071CC..EExtended strand (participates in β ladder)trans-134.4144.2178.800000110.2I128 L297 T304 V366I128-A306 HydrophobicContact CB-CB 3.77Å; I128-A306 HydrophobicContact CD1-CB 4.2Å; I128-A306 HydrophobicContact CG2-CB 4.27Å; I128-A306 CarbonylContact O-C 3.46Å; I128-A306 WeakPolarHBondContact O-CA 3.33Å; L297-A306 HydrophobicContact CD1-CB 3.82Å; L297-A306 HydrophobicContact CD2-CB 3.71Å; L297-A306 HydrophobicContact CG-CB 4.36Å; T304-A306 PolarHBondContact O-N 3.15Å; A306-V366 PolarHBondContact O-N 2.99Å
307R97.7Very high95.2Very high5 Ų511.9 Ų11.92%0.0197%0.071CC..EExtended strand (participates in β ladder)trans-122.9123.3-179.6-52.1-17172.5145.51.8110.1I128 F129 I130 V366 D368 H392 M422 L424I128-R307 PolarHBondContact O-N 3.24Å; F129-R307 CarbonylContact C-O 3.59Å; F129-R307 WeakPolarHBondContact CA-O 3.21Å; F129-R307 HydrophobicContact CD1-CB 4.23Å; F129-R307 HydrophobicContact CE1-CG 4.44Å; I130-R307 PolarHBondContact N-O 3.04Å; R307-V366 CarbonylContact C-O 3.54Å; R307-V366 WeakPolarHBondContact CA-O 3.28Å; R307-V366 HydrophobicContact CB-CB 4.3Å; R307-V366 HydrophobicContact CG-CB 4Å; R307-V366 HydrophobicContact CG-CG2 4.29Å; R307-D368 IonicContact CZ-OD1 3.7Å; R307-D368 IonicContact CZ-OD2 3.25Å; R307-D368 IonicContact NE-OD1 3.76Å; R307-D368 IonicContact NE-OD2 2.89Å; R307-D368 PolarHBondContact NE-OD2 2.61Å; R307-D368 VanDerWaalsContact NH2-CG 3.31Å; R307-D368 IonicContact NH2-OD1 3.92Å; R307-D368 PolarHBondContact NH2-OD1 2.55Å; R307-D368 IonicContact NH2-OD2 3.48Å; R307-D368 PolarHBondContact NH2-OD2 3.37Å; R307-D368 VanDerWaalsContact NH2-OD2 3.08Å; R307-H392 PolarHBondContact NH2-CD2 3.31Å; R307-H392 PolarHBondContact NH2-NE2 2.94Å; R307-M422 PolarHBondContact NH1-SD 3.2Å; R307-L424 HydrophobicContact CG-CD2 4.13Å
308V98.8Very high95.3Very high1 Ų113.1 Ų13.11%0.0068%0.077CC..EExtended strand (participates in β ladder)trans-89.3120.5165.6-179.60000107.1I130 V132 L290 A293 L297 V366 V367 D368I130-V308 CarbonylContact O-C 3.49Å; V132-V308 HydrophobicContact CG2-CG1 3.55Å; L290-V308 HydrophobicContact CD2-CG1 4.2Å; A293-V308 HydrophobicContact CB-CG1 3.95Å; A293-V308 HydrophobicContact CB-CG2 4.2Å; L297-V308 HydrophobicContact CD1-CG2 3.56Å; V308-V366 PolarHBondContact N-O 2.99Å; V308-V367 HydrophobicContact CB-CG1 4.41Å; V308-V367 HydrophobicContact CB-CG2 4.28Å; V308-V367 CarbonylContact O-C 3.55Å; V308-V367 WeakPolarHBondContact O-CA 3.12Å; V308-D368 PolarHBondContact O-N 2.8Å
309M98.7Very high95.6Very high0 Ų011.5 Ų11.50%08%0.076CC..EExtended strand (participates in β ladder)trans-107.296.9179.5-56.3-1748100108.4F129 I130 F131 V132 F311 F370 Y408 V411 F412F129-M309 HydrophobicContact CD1-SD 3.93Å; I130-M309 PolarHBondContact O-N 3.17Å; F131-M309 HydrophobicContact CD1-SD 4.44Å; F131-M309 HydrophobicContact CE1-SD 3.96Å; F131-M309 HydrophobicContact CZ-SD 4.47Å; V132-M309 PolarHBondContact N-O 2.64Å; M309-F311 HydrophobicContact CB-CE2 3.82Å; M309-F311 HydrophobicContact CB-CZ 4.23Å; M309-F311 WeakPolarHBondContact O-CD2 3.29Å; M309-F311 WeakPolarHBondContact O-CE2 3.42Å; M309-F370 HydrophobicContact CB-CE2 4.15Å; M309-F370 HydrophobicContact CE-CE2 3.56Å; M309-F370 HydrophobicContact CE-CZ 3.74Å; M309-F370 HydrophobicContact CG-CE2 4.46Å; M309-Y408 HydrophobicContact CE-CE2 3.68Å; M309-V411 HydrophobicContact CE-CG1 4.18Å; M309-F412 HydrophobicContact CE-CE2 4.36Å; M309-F412 HydrophobicContact CE-CZ 3.79Å; M309-F412 HydrophobicContact SD-CZ 4.17Å
310L98.9Very high95.9Very high0 Ų011.7 Ų11.70%08%0.076CC..EExtended strand (participates in β ladder)trans-84.6123.3178.5175.366.6000110.3V132 F167 V286 L290 D368 I369 F370V132-L310 HydrophobicContact CB-CD1 4.16Å; V132-L310 HydrophobicContact CG1-CD1 3.85Å; V132-L310 WeakPolarHBondContact O-CA 3.44Å; F167-L310 HydrophobicContact CE1-CD1 3.62Å; F167-L310 HydrophobicContact CZ-CD1 3.85Å; V286-L310 HydrophobicContact CG1-CD1 4.46Å; V286-L310 HydrophobicContact CG1-CD2 3.97Å; L290-L310 HydrophobicContact CD1-CD2 4.09Å; L290-L310 HydrophobicContact CD2-CB 4.44Å; L290-L310 HydrophobicContact CD2-CD2 4.23Å; L290-L310 HydrophobicContact CG-CD2 4.36Å; L310-D368 WeakPolarHBondContact CB-O 3.46Å; L310-D368 PolarHBondContact N-O 3.28Å; L310-I369 HydrophobicContact CD2-CG1 4.41Å; L310-I369 HydrophobicContact CD2-CG2 4.33Å; L310-F370 PolarHBondContact O-N 3.1Å
311F98.7Very high96.2Very high0 Ų011.6 Ų11.60%08%0.075CC..EExtended strand (participates in β ladder)trans-107.8124.5170.7-57.9-92.1000109F131 V132 I133 D134 L145 I149 M309 F370 F399 F404 Y408F131-F311 AromaticContact CD1-CE2 3.89Å; F131-F311 HydrophobicContact CD1-CE2 3.89Å; F131-F311 HydrophobicContact CD1-CZ 4.33Å; V132-F311 PolarHBondContact O-N 2.75Å; I133-F311 HydrophobicContact CG1-CD2 4.27Å; D134-F311 VanDerWaalsContact CB-O 3.29Å; D134-F311 WeakPolarHBondContact CB-O 3.32Å; D134-F311 PolarHBondContact N-O 3.4Å; D134-F311 VanDerWaalsContact N-O 3.13Å; L145-F311 HydrophobicContact CD1-CB 4Å; L145-F311 HydrophobicContact CD1-CD1 3.38Å; L145-F311 HydrophobicContact CD1-CE1 4.02Å; L145-F311 HydrophobicContact CD1-CG 3.79Å; L145-F311 HydrophobicContact CD2-CB 3.89Å; L145-F311 HydrophobicContact CD2-CG 4.5Å; I149-F311 HydrophobicContact CD1-CD1 4.45Å; I149-F311 HydrophobicContact CD1-CD2 3.91Å; I149-F311 HydrophobicContact CD1-CE1 4.37Å; I149-F311 HydrophobicContact CD1-CE2 3.87Å; I149-F311 HydrophobicContact CD1-CG 4.21Å; I149-F311 HydrophobicContact CD1-CZ 4.09Å; I149-F311 HydrophobicContact CG1-CE1 4.18Å; I149-F311 HydrophobicContact CG1-CE2 4.18Å; I149-F311 HydrophobicContact CG1-CZ 3.92Å; M309-F311 HydrophobicContact CB-CE2 3.82Å; M309-F311 HydrophobicContact CB-CZ 4.23Å; M309-F311 WeakPolarHBondContact O-CD2 3.29Å; M309-F311 WeakPolarHBondContact O-CE2 3.42Å; F311-F370 WeakPolarHBondContact CA-O 3.15Å; F311-F370 HydrophobicContact CD1-CB 3.65Å; F311-F370 HydrophobicContact CD1-CD2 4.15Å; F311-F370 HydrophobicContact CD1-CG 4.1Å; F311-F370 HydrophobicContact CE1-CB 3.97Å; F311-F370 AromaticContact CE1-CD2 3.79Å; F311-F370 HydrophobicContact CE1-CD2 3.79Å; F311-F370 AromaticContact CE1-CG 3.9Å; F311-F370 HydrophobicContact CE1-CG 3.9Å; F311-F370 HydrophobicContact CG-CB 4.4Å; F311-F370 HydrophobicContact CZ-CD2 4Å; F311-F370 HydrophobicContact CZ-CE2 4.42Å; F311-F399 HydrophobicContact CB-CZ 4.47Å; F311-F399 HydrophobicContact CD1-CE1 4.3Å; F311-F404 HydrophobicContact CE1-CZ 4.5Å; F311-Y408 HydrophobicContact CE1-CD2 4.16Å; F311-Y408 AromaticContact CE1-CE2 3.6Å; F311-Y408 HydrophobicContact CE1-CE2 3.6Å; F311-Y408 AromaticContact CE1-CZ 3.9Å; F311-Y408 AromaticContact CZ-CE2 3.56Å; F311-Y408 HydrophobicContact CZ-CE2 3.56Å; F311-Y408 AromaticContact CZ-CZ 3.69Å; F311-Y408 WeakPolarHBondContact CZ-OH 3.36Å
312L98.1Very high96.6Very high0 Ų013.5 Ų13.50%09%0.085CC..EExtended strand (participates in β ladder)trans-133.1125.2-166.9-171.664.2000111.7F167 V286 G314 F370 S371 C372 L382F167-L312 HydrophobicContact CE2-CD1 4.34Å; F167-L312 HydrophobicContact CZ-CD1 4.01Å; V286-L312 HydrophobicContact CG1-CD1 4.35Å; V286-L312 HydrophobicContact CG2-CD1 3.54Å; L312-G314 WeakPolarHBondContact CD1-O 3.31Å; L312-G314 WeakPolarHBondContact CG-O 3.4Å; L312-F370 PolarHBondContact N-O 2.94Å; L312-S371 WeakPolarHBondContact O-CA 3.46Å; L312-C372 PolarHBondContact O-N 2.82Å; L312-L382 HydrophobicContact CD2-CD1 3.73Å
313G97.7Very high96.9Very high13 Ų1311.1 Ų11.113%0.1347%0.07CC..SBendtrans-100.410.6178.800000115.3D134 R284 C372D134-G313 PolarHBondContact OD2-N 3.43Å; R284-G313 PolarHBondContact NH1-O 3.46Å; R284-G313 PolarHBondContact NH2-O 3.14Å; G313-C372 WeakPolarHBondContact CA-O 3.41Å
314G97.8Very high97.3Very high0 Ų08.4 Ų8.40%06%0.055CC..SBendtrans151.5-170.7179.500000112.5L312L312-G314 WeakPolarHBondContact CD1-O 3.31Å; L312-G314 WeakPolarHBondContact CG-O 3.4Å
315P98.3Very high97.8Very high6 Ų68.6 Ų8.64%0.0396%0.056CC..  trans-79.4156.9-161.430.4-35.2000114.3R284 T317 V323 V324 I332 Q376 T377R284-P315 WeakPolarHBondContact CB-O 3.29Å; R284-P315 VanDerWaalsContact CD-O 3.31Å; R284-P315 WeakPolarHBondContact CD-O 3.11Å; P315-T317 PolarHBondContact O-N 3.37Å; P315-V323 HydrophobicContact CB-CB 4.38Å; P315-V324 HydrophobicContact CB-CG1 3.89Å; P315-V324 HydrophobicContact CG-CG1 3.53Å; P315-I332 HydrophobicContact CB-CD1 3.9Å; P315-I332 HydrophobicContact CG-CD1 4.24Å; P315-Q376 WeakPolarHBondContact CD-O 3.41Å; P315-T377 VanDerWaalsContact CA-O 3.27Å; P315-T377 WeakPolarHBondContact CA-O 3.42Å
316C98.6Very high98.1Very high2 Ų211 Ų111%0.0147%0.069CC..  trans-64.9115169.1-1690000110R284 V286 Q318 G321 M322 V323 Y353R284-C316 PolarHBondContact O-SG 3.3Å; V286-C316 HydrophobicContact CB-CB 3.76Å; V286-C316 HydrophobicContact CG2-CB 3.67Å; C316-Q318 PolarHBondContact SG-O 2.77Å; C316-Q318 VanDerWaalsContact SG-O 3.38Å; C316-G321 WeakPolarHBondContact CB-O 3.35Å; C316-M322 CarbonylContact O-C 3.6Å; C316-M322 WeakPolarHBondContact O-CA 3.49Å; C316-V323 HydrophobicContact CB-CG2 4.38Å; C316-V323 PolarHBondContact O-N 3.37Å; C316-Y353 WeakPolarHBondContact CB-OH 3.33Å
317T98.4Very high98.2Very high4 Ų412.9 Ų12.93%0.0258%0.079CC..  trans-107.9-4.3-174.954.70000114.5R281 P282 L283 R284 P315 V324R281-T317 HydrophobicContact CB-CG2 4.05Å; P282-T317 PolarHBondContact O-OG1 2.94Å; L283-T317 VanDerWaalsContact CA-OG1 3.3Å; L283-T317 WeakPolarHBondContact CA-OG1 3.38Å; R284-T317 PolarHBondContact N-OG1 3.34Å; R284-T317 PolarHBondContact O-N 2.93Å; P315-T317 PolarHBondContact O-N 3.37Å; T317-V324 VanDerWaalsContact CA-O 3.28Å; T317-V324 WeakPolarHBondContact CA-O 3.42Å; T317-V324 HydrophobicContact CG2-CG1 4.09Å
318Q98.1Very high98.1Very high25 Ų2516.9 Ų16.912%0.11710%0.1CC..SBendtrans-152.6163.417365.4166.415.300112.8K169 T190 L283 R284 S285 C316K169-Q318 PolarHBondContact O-NE2 2.77Å; T190-Q318 HydrophobicContact CG2-CB 4.29Å; T190-Q318 HydrophobicContact CG2-CG 4.41Å; L283-Q318 HydrophobicContact CB-CG 4.23Å; L283-Q318 HydrophobicContact CD2-CB 4.4Å; R284-Q318 PolarHBondContact O-N 3.22Å; S285-Q318 PolarHBondContact OG-NE2 2.91Å; C316-Q318 PolarHBondContact SG-O 2.77Å; C316-Q318 VanDerWaalsContact SG-O 3.38Å
319G98.3Very high98Very high25 Ų2525.4 Ų25.426%0.25814%0.137SC..SBendtrans77.1-164.6174.800000113.8M322G319-M322 WeakPolarHBondContact O-CB 3.48Å; G319-M322 PolarHBondContact O-N 3.46Å
320P98.2Very high97.9Very high19 Ų1929 Ų2912%0.12316%0.156CC..THydrogen-bonded Turntrans-65.2143.7176.233-37000110D192 G287 T288 M322D192-P320 HydrophobicContact CB-CB 4.06Å; D192-P320 HydrophobicContact CB-CG 3.93Å; G287-P320 VanDerWaalsContact CA-O 3.3Å; G287-P320 WeakPolarHBondContact CA-O 3.34Å; T288-P320 WeakPolarHBondContact OG1-CD 3.34Å; T288-P320 WeakPolarHBondContact OG1-CG 3.24Å; P320-M322 VanDerWaalsContact C-N 3.3Å; P320-M322 PolarHBondContact O-N 2.94Å
321G98.2Very high97.7Very high4 Ų435.4 Ų35.44%0.04119%0.189CC..THydrogen-bonded Turntrans77.68.3-177.200000115.4C316 V323 H352 Y353C316-G321 WeakPolarHBondContact CB-O 3.35Å; G321-V323 PolarHBondContact O-N 3.39Å; G321-H352 PolarHBondContact N-CD2 3.15Å; G321-Y353 VanDerWaalsContact O-CE2 3.27Å; G321-Y353 WeakPolarHBondContact O-CE2 3.43Å; G321-Y353 PolarHBondContact O-OH 2.83Å
322M98.4Very high97.6Very high47 Ų4735.9 Ų35.923%0.23219%0.191CC..  trans-54.9129176.2-176173.46500111.3C316 G319 P320 V324 Y345 A349C316-M322 CarbonylContact O-C 3.6Å; C316-M322 WeakPolarHBondContact O-CA 3.49Å; G319-M322 WeakPolarHBondContact O-CB 3.48Å; G319-M322 PolarHBondContact O-N 3.46Å; P320-M322 VanDerWaalsContact C-N 3.3Å; P320-M322 PolarHBondContact O-N 2.94Å; M322-V324 WeakPolarHBondContact CG-O 3.5Å; M322-Y345 HydrophobicContact CE-CD1 3.53Å; M322-Y345 HydrophobicContact CE-CE1 3.32Å; M322-Y345 HydrophobicContact CE-CG 4.36Å; M322-Y345 WeakPolarHBondContact O-CB 3.42Å; M322-A349 WeakPolarHBondContact O-CB 3.27Å
323V98.3Very high97.5Very high6 Ų636.5 Ų36.54%0.03619%0.194CC..  trans-103.8-34-175.2173.70000111.6P315 C316 G321 I332 Y345 A349 Y353 E381P315-V323 HydrophobicContact CB-CB 4.38Å; C316-V323 HydrophobicContact CB-CG2 4.38Å; C316-V323 PolarHBondContact O-N 3.37Å; G321-V323 PolarHBondContact O-N 3.39Å; V323-I332 HydrophobicContact CG1-CD1 3.71Å; V323-I332 HydrophobicContact CG1-CG1 4.16Å; V323-Y345 WeakPolarHBondContact O-CB 3.3Å; V323-A349 HydrophobicContact CG2-CB 4.22Å; V323-Y353 HydrophobicContact CG2-CE2 4.47Å; V323-E381 HydrophobicContact CG2-CB 4.28Å; V323-E381 HydrophobicContact CG2-CG 4.34Å
324V98Very high97.4Very high4 Ų438 Ų382%0.02420%0.202CC..SBendtrans-144.4159.1175.466.60000107.6P315 T317 M322 N330P315-V324 HydrophobicContact CB-CG1 3.89Å; P315-V324 HydrophobicContact CG-CG1 3.53Å; T317-V324 VanDerWaalsContact CA-O 3.28Å; T317-V324 WeakPolarHBondContact CA-O 3.42Å; T317-V324 HydrophobicContact CG2-CG1 4.09Å; M322-V324 WeakPolarHBondContact CG-O 3.5Å; V324-N330 WeakPolarHBondContact CG2-O 3.47Å
325D97.4Very high97.3Very high19 Ų1939.5 Ų39.510%0.10221%0.209CC..  trans-84.7179.5171.455.155000112.1R281 D327 N330 Y345R281-D325 PolarHBondContact NH1-O 3.28Å; D325-D327 VanDerWaalsContact C-N 3.27Å; D325-D327 PolarHBondContact O-N 2.88Å; D325-D327 WeakPolarHBondContact OD1-CB 3.41Å; D325-D327 PolarHBondContact OD1-N 3.45Å; D325-D327 VanDerWaalsContact OD1-N 3.08Å; D325-N330 VanDerWaalsContact CG-ND2 3.27Å; D325-N330 WeakPolarHBondContact OD1-CB 3.38Å; D325-N330 PolarHBondContact OD1-ND2 2.89Å; D325-N330 PolarHBondContact OD2-ND2 3.19Å; D325-Y345 HydrophobicContact CB-CE2 4.11Å; D325-Y345 WeakPolarHBondContact CB-OH 3.33Å; D325-Y345 PolarHBondContact OD2-OH 3.14Å
326D97.4Very high97Very high51 Ų5144 Ų4427%0.27323%0.23SC..SBendtrans-74.3-13-178.571.1-42.2000112.9K280 R281 L283 L328K280-D326 CarbonylContact C-O 3.52Å; K280-D326 WeakPolarHBondContact CA-O 3.25Å; K280-D326 WeakPolarHBondContact CD-O 3.46Å; K280-D326 WeakPolarHBondContact CD-OD2 3.44Å; K280-D326 WeakPolarHBondContact CE-OD2 3.25Å; K280-D326 IonicContact NZ-OD1 2.87Å; K280-D326 IonicContact NZ-OD2 2.76Å; R281-D326 PolarHBondContact N-O 3.02Å; L283-D326 HydrophobicContact CD2-CB 3.96Å; D326-L328 PolarHBondContact O-N 3.39Å
327D97.8Very high96.9Very high39 Ų3945.3 Ų45.321%0.20924%0.237CC..BIsolated β-bridgetrans-81.2118.6-176.6-155-51.3000112K280 R281 D325 K329 N330K280-D327 HydrophobicContact CD-CB 4.42Å; K280-D327 IonicContact NZ-OD2 3.21Å; K280-D327 PolarHBondContact NZ-OD2 3.32Å; R281-D327 VanDerWaalsContact NH1-C 3.29Å; R281-D327 PolarHBondContact NH1-O 3.43Å; D325-D327 VanDerWaalsContact C-N 3.27Å; D325-D327 PolarHBondContact O-N 2.88Å; D325-D327 WeakPolarHBondContact OD1-CB 3.41Å; D325-D327 PolarHBondContact OD1-N 3.45Å; D325-D327 VanDerWaalsContact OD1-N 3.08Å; D327-K329 PolarHBondContact O-N 2.97Å; D327-K329 VanDerWaalsContact O-N 3.07Å; D327-K329 VanDerWaalsContact OD1-CB 3.28Å; D327-K329 WeakPolarHBondContact OD1-CB 3.39Å; D327-K329 VanDerWaalsContact OD1-CG 3.31Å; D327-K329 WeakPolarHBondContact OD1-CG 3.27Å; D327-K329 PolarHBondContact OD1-N 2.93Å; D327-N330 PolarHBondContact O-N 3.31Å
328L96.3Very high96.6Very high90 Ų9047.4 Ų47.447%0.47125%0.246SC..THydrogen-bonded Turntrans-61.5-19.6179.7-73.2172.8000113.1G279 R281 D326 N330G279-L328 VanDerWaalsContact O-CB 3.3Å; G279-L328 WeakPolarHBondContact O-CB 3.06Å; G279-L328 WeakPolarHBondContact O-CG 3.42Å; G279-L328 PolarHBondContact O-N 3.11Å; R281-L328 HydrophobicContact CG-CD2 3.54Å; R281-L328 HydrophobicContact CG-CG 4.18Å; D326-L328 PolarHBondContact O-N 3.39Å; L328-N330 PolarHBondContact O-N 3.09Å
329K96.8Very high96.2Very high180 Ų18052.3 Ų52.378%0.78327%0.269SS*.THydrogen-bonded Turntrans-63.2-29.9172.1-66.1176.5179.9177.30112.7D327 I331D327-K329 PolarHBondContact O-N 2.97Å; D327-K329 VanDerWaalsContact O-N 3.07Å; D327-K329 VanDerWaalsContact OD1-CB 3.28Å; D327-K329 WeakPolarHBondContact OD1-CB 3.39Å; D327-K329 VanDerWaalsContact OD1-CG 3.31Å; D327-K329 WeakPolarHBondContact OD1-CG 3.27Å; D327-K329 PolarHBondContact OD1-N 2.93Å; K329-I331 PolarHBondContact O-N 2.98Å
330N95.5Very high95.9Very high75 Ų7557.8 Ų57.840%0.40129%0.286SS..SBendtrans-90.9101.3176.1-59-37.8000107.8R281 V324 D325 D327 L328R281-N330 VanDerWaalsContact CZ-O 3.27Å; R281-N330 PolarHBondContact NH1-O 2.91Å; R281-N330 PolarHBondContact NH2-O 3.47Å; V324-N330 WeakPolarHBondContact CG2-O 3.47Å; D325-N330 VanDerWaalsContact CG-ND2 3.27Å; D325-N330 WeakPolarHBondContact OD1-CB 3.38Å; D325-N330 PolarHBondContact OD1-ND2 2.89Å; D325-N330 PolarHBondContact OD2-ND2 3.19Å; D327-N330 PolarHBondContact O-N 3.31Å; L328-N330 PolarHBondContact O-N 3.09Å
331I94.8Very high95.6Very high134 Ų13460.6 Ų60.669%0.68730%0.3SS*.PPolyproline II helixtrans-71.1155.8175.361.4172.1000110.9K329K329-I331 PolarHBondContact O-N 2.98Å
332I96.8Very high95.4Very high10 Ų1066 Ų665%0.05133%0.328CS..PPolyproline II helixtrans-67.8143.4172.6-169.7160.3000110P315 V323 Q376P315-I332 HydrophobicContact CB-CD1 3.9Å; P315-I332 HydrophobicContact CG-CD1 4.24Å; V323-I332 HydrophobicContact CG1-CD1 3.71Å; V323-I332 HydrophobicContact CG1-CG1 4.16Å; I332-Q376 HydrophobicContact CD1-CB 3.81Å; I332-Q376 HydrophobicContact CG1-CB 4.42Å; I332-Q376 HydrophobicContact CG2-CB 4.01Å
333R96.6Very high95.2Very high14 Ų1464.5 Ų64.55%0.05332%0.322CS..PPolyproline II helixtrans-51.4145.3-177.571.8-71.1168.7-81.66.8114.5D337 Q376 E381 D626R333-D337 HydrophobicContact CB-CB 4.33Å; R333-Q376 PolarHBondContact O-NE2 3.18Å; R333-E381 WeakPolarHBondContact CD-OE1 3.45Å; R333-E381 IonicContact CZ-OE1 2.77Å; R333-E381 IonicContact CZ-OE2 2.72Å; R333-E381 IonicContact NE-OE1 3.86Å; R333-E381 PolarHBondContact NE-OE1 3.14Å; R333-E381 IonicContact NE-OE2 3.58Å; R333-E381 PolarHBondContact NE-OE2 2.83Å; R333-E381 IonicContact NH2-OE1 3.35Å; R333-E381 IonicContact NH2-OE2 3.76Å; R333-E381 PolarHBondContact NH2-OE2 2.83Å; R333-D626 IonicContact CZ-OD1 2.76Å; R333-D626 IonicContact NH1-OD1 3.96Å; R333-D626 IonicContact NH2-OD1 3.83Å; R333-D626 PolarHBondContact NH2-OD1 3.02Å
334S96Very high95.1Very high45 Ų4572.1 Ų72.132%0.31536%0.355SS..  trans-108.8171.7169.269.20000112.2H336 D337 M338S334-H336 VanDerWaalsContact C-N 3.25Å; S334-H336 PolarHBondContact O-N 3.01Å; S334-H336 PolarHBondContact OG-N 3.46Å; S334-D337 WeakPolarHBondContact CB-OD2 3.42Å; S334-D337 PolarHBondContact N-OD2 3.24Å; S334-D337 PolarHBondContact O-N 2.91Å; S334-D337 PolarHBondContact OG-N 3.25Å; S334-D337 PolarHBondContact OG-OD2 2.92Å; S334-M338 WeakPolarHBondContact O-CG 3.27Å; S334-M338 PolarHBondContact O-N 3.31Å; S334-M338 VanDerWaalsContact O-N 3.12Å
335H94.4Very high95.1Very high31 Ų3173.7 Ų73.714%0.14436%0.361CS..Hα-helixtrans-58.8-36.9172.4-76.6-64.4000112.7D337 M338 E339 V620 N623 S624 T628H335-D337 VanDerWaalsContact C-N 3.32Å; H335-D337 PolarHBondContact O-N 3.38Å; H335-M338 WeakPolarHBondContact O-CB 3.31Å; H335-M338 PolarHBondContact O-N 3.42Å; H335-M338 VanDerWaalsContact O-N 3.1Å; H335-E339 WeakPolarHBondContact O-CG 3.26Å; H335-E339 PolarHBondContact O-N 3.16Å; H335-V620 HydrophobicContact CB-CG2 4.33Å; H335-N623 PolarHBondContact CD2-O 3.16Å; H335-N623 PolarHBondContact NE2-O 2.94Å; H335-S624 PolarHBondContact NE2-O 3.37Å; H335-T628 PolarHBondContact CE1-OG1 3Å; H335-T628 PolarHBondContact NE2-OG1 3.48Å
336H93.2Very high95.1Very high100 Ų10073.7 Ų73.746%0.46336%0.36SS..Hα-helixtrans-64.1-36.7176.6-174.571.6000112.6S334 M338 K340S334-H336 VanDerWaalsContact C-N 3.25Å; S334-H336 PolarHBondContact O-N 3.01Å; S334-H336 PolarHBondContact OG-N 3.46Å; H336-M338 VanDerWaalsContact C-N 3.31Å; H336-K340 WeakPolarHBondContact CE1-CE 3.4Å; H336-K340 PolarHBondContact CE1-NZ 3.03Å; H336-K340 VanDerWaalsContact CE1-NZ 3.3Å; H336-K340 WeakPolarHBondContact NE2-CE 3.45Å; H336-K340 PolarHBondContact NE2-NZ 3.27Å; H336-K340 WeakPolarHBondContact O-CB 3.5Å; H336-K340 WeakPolarHBondContact O-CG 3.45Å; H336-K340 PolarHBondContact O-N 2.97Å; H336-K340 VanDerWaalsContact O-N 3.16Å
337D95.3Very high95Very high30 Ų3079 Ų7916%0.1638%0.376CS..Hα-helixtrans-67.1-36.4173.6-60.9-57.5000111.1R333 S334 H335 K340 D341 N342 C343R333-D337 HydrophobicContact CB-CB 4.33Å; S334-D337 WeakPolarHBondContact CB-OD2 3.42Å; S334-D337 PolarHBondContact N-OD2 3.24Å; S334-D337 PolarHBondContact O-N 2.91Å; S334-D337 PolarHBondContact OG-N 3.25Å; S334-D337 PolarHBondContact OG-OD2 2.92Å; H335-D337 VanDerWaalsContact C-N 3.32Å; H335-D337 PolarHBondContact O-N 3.38Å; D337-K340 PolarHBondContact O-N 2.86Å; D337-D341 CarbonylContact O-C 3.55Å; D337-D341 PolarHBondContact O-N 3.39Å; D337-D341 VanDerWaalsContact O-N 3.1Å; D337-N342 HydrophobicContact CB-CB 4.41Å; D337-N342 PolarHBondContact O-N 2.89Å; D337-C343 VanDerWaalsContact C-SG 3.51Å
338M92.7Very high95.1Very high47 Ų4786.9 Ų86.923%0.23240%0.403CS..Hα-helixtrans-67.3-44.6177.8-64.7170.957.400111.8S334 H335 H336 K340 D341 M346 P625S334-M338 WeakPolarHBondContact O-CG 3.27Å; S334-M338 PolarHBondContact O-N 3.31Å; S334-M338 VanDerWaalsContact O-N 3.12Å; H335-M338 WeakPolarHBondContact O-CB 3.31Å; H335-M338 PolarHBondContact O-N 3.42Å; H335-M338 VanDerWaalsContact O-N 3.1Å; H336-M338 VanDerWaalsContact C-N 3.31Å; M338-K340 VanDerWaalsContact C-N 3.27Å; M338-K340 PolarHBondContact O-N 2.83Å; M338-D341 PolarHBondContact O-N 3.36Å; M338-D341 VanDerWaalsContact O-N 3.09Å; M338-M346 HydrophobicContact CB-CE 4.45Å; M338-M346 HydrophobicContact CE-CE 4.43Å; M338-M346 HydrophobicContact CE-SD 3.97Å; M338-M346 HydrophobicContact CG-CE 3.99Å; M338-M346 HydrophobicContact CG-SD 3.67Å; M338-M346 HydrophobicContact SD-SD 4.02Å; M338-P625 HydrophobicContact SD-CB 3.83Å; M338-P625 HydrophobicContact SD-CG 3.6Å
339E89.8Confident95.2Very high129 Ų12982.6 Ų82.660%0.60338%0.381SS*.Hα-helixtrans-60.6-37.4176.3-73.6174.3-16900112H335 D341H335-E339 WeakPolarHBondContact O-CG 3.26Å; H335-E339 PolarHBondContact O-N 3.16Å; E339-D341 VanDerWaalsContact C-N 3.3Å
340K92.9Very high95.2Very high139 Ų13975.5 Ų75.560%0.60435%0.351SS*.THydrogen-bonded Turntrans-85.92.6177-68.1-177.1174.6-177.10114.3H336 D337 M338 N342H336-K340 WeakPolarHBondContact CE1-CE 3.4Å; H336-K340 PolarHBondContact CE1-NZ 3.03Å; H336-K340 VanDerWaalsContact CE1-NZ 3.3Å; H336-K340 WeakPolarHBondContact NE2-CE 3.45Å; H336-K340 PolarHBondContact NE2-NZ 3.27Å; H336-K340 WeakPolarHBondContact O-CB 3.5Å; H336-K340 WeakPolarHBondContact O-CG 3.45Å; H336-K340 PolarHBondContact O-N 2.97Å; H336-K340 VanDerWaalsContact O-N 3.16Å; D337-K340 PolarHBondContact O-N 2.86Å; M338-K340 VanDerWaalsContact C-N 3.27Å; M338-K340 PolarHBondContact O-N 2.83Å; K340-N342 HydrophobicContact CB-CB 4.47Å; K340-N342 PolarHBondContact O-N 2.67Å; K340-N342 VanDerWaalsContact O-N 3.17Å
341D90.4Very high95.4Very high79 Ų7979.6 Ų79.642%0.42237%0.365SS..THydrogen-bonded Turntrans52.929.6-173.1-159.825.2000113.9D337 M338 E339 C343 R347D337-D341 CarbonylContact O-C 3.55Å; D337-D341 PolarHBondContact O-N 3.39Å; D337-D341 VanDerWaalsContact O-N 3.1Å; M338-D341 PolarHBondContact O-N 3.36Å; M338-D341 VanDerWaalsContact O-N 3.09Å; E339-D341 VanDerWaalsContact C-N 3.3Å; D341-C343 PolarHBondContact O-N 3.17Å; D341-R347 VanDerWaalsContact CG-CZ 3.49Å; D341-R347 IonicContact OD1-CZ 3.91Å; D341-R347 IonicContact OD1-NE 2.77Å; D341-R347 IonicContact OD1-NH1 2.64Å; D341-R347 PolarHBondContact OD1-NH1 3.04Å; D341-R347 VanDerWaalsContact OD1-NH1 3.16Å; D341-R347 IonicContact OD1-NH2 3.24Å; D341-R347 PolarHBondContact OD1-NH2 3.19Å; D341-R347 IonicContact OD2-CZ 2.81Å; D341-R347 IonicContact OD2-NH1 2.6Å; D341-R347 PolarHBondContact OD2-NH1 3.35Å; D341-R347 IonicContact OD2-NH2 3.34Å; D341-R347 PolarHBondContact OD2-NH2 2.84Å
342N94.2Very high95.6Very high117 Ų11774.2 Ų74.263%0.62634%0.337SS*.  trans-90.240.5178.5-170.336.4000111.8D337 K340D337-N342 HydrophobicContact CB-CB 4.41Å; D337-N342 PolarHBondContact O-N 2.89Å; K340-N342 HydrophobicContact CB-CB 4.47Å; K340-N342 PolarHBondContact O-N 2.67Å; K340-N342 VanDerWaalsContact O-N 3.17Å
343C95Very high95.7Very high16 Ų1673.8 Ų73.811%0.10834%0.335CS..  trans-115.383.6-175.7-66.70000111.2D337 D341 Y345 M346D337-C343 VanDerWaalsContact C-SG 3.51Å; D341-C343 PolarHBondContact O-N 3.17Å; C343-Y345 PolarHBondContact O-N 2.83Å; C343-M346 HydrophobicContact CB-CB 3.65Å; C343-M346 HydrophobicContact CB-CE 3.91Å; C343-M346 HydrophobicContact CB-SD 4.22Å; C343-M346 PolarHBondContact O-N 3.18Å
344K95.6Very high95.8Very high165 Ų16576.2 Ų76.272%0.71735%0.347SS*.THydrogen-bonded Turntrans-49.2-37.4-173.2-174.9177.7174.1-166.70114.7
345Y97.7Very high95.9Very high38 Ų3875.5 Ų75.515%0.14935%0.346CS..THydrogen-bonded Turntrans-110.8-22.7-171.4-53.2-63.4000114.8M322 V323 D325 C343 R347 R348 A349M322-Y345 HydrophobicContact CE-CD1 3.53Å; M322-Y345 HydrophobicContact CE-CE1 3.32Å; M322-Y345 HydrophobicContact CE-CG 4.36Å; M322-Y345 WeakPolarHBondContact O-CB 3.42Å; V323-Y345 WeakPolarHBondContact O-CB 3.3Å; D325-Y345 HydrophobicContact CB-CE2 4.11Å; D325-Y345 WeakPolarHBondContact CB-OH 3.33Å; D325-Y345 PolarHBondContact OD2-OH 3.14Å; C343-Y345 PolarHBondContact O-N 2.83Å; Y345-R347 PolarHBondContact O-N 3.18Å; Y345-R348 PolarHBondContact O-N 2.82Å; Y345-R348 VanDerWaalsContact O-N 3.12Å; Y345-A349 PolarHBondContact O-N 3.33Å
346M97.2Very high96.1Very high18 Ų1874.2 Ų74.29%0.08934%0.34CS..Hα-helixtrans-53.8-53.6-167.3-178.8179.772.700113.3M338 C343 R348 A349 M350 E381M338-M346 HydrophobicContact CB-CE 4.45Å; M338-M346 HydrophobicContact CE-CE 4.43Å; M338-M346 HydrophobicContact CE-SD 3.97Å; M338-M346 HydrophobicContact CG-CE 3.99Å; M338-M346 HydrophobicContact CG-SD 3.67Å; M338-M346 HydrophobicContact SD-SD 4.02Å; C343-M346 HydrophobicContact CB-CB 3.65Å; C343-M346 HydrophobicContact CB-CE 3.91Å; C343-M346 HydrophobicContact CB-SD 4.22Å; C343-M346 PolarHBondContact O-N 3.18Å; M346-R348 VanDerWaalsContact C-N 3.29Å; M346-R348 PolarHBondContact O-N 3.35Å; M346-A349 PolarHBondContact O-N 3.24Å; M346-A349 VanDerWaalsContact O-N 3.16Å; M346-M350 HydrophobicContact CG-CG 4.32Å; M346-M350 HydrophobicContact CG-SD 3.74Å; M346-M350 WeakPolarHBondContact O-CB 3.43Å; M346-M350 WeakPolarHBondContact O-CG 3.48Å; M346-M350 PolarHBondContact O-N 3.21Å; M346-M350 HydrophobicContact SD-SD 4.42Å; M346-E381 HydrophobicContact CG-CG 4.08Å
347R96.8Very high96.4Very high163 Ų16369.4 Ų69.462%0.61532%0.318SS*.Hα-helixtrans-59.1-39.2-178.4-71.8-177176.1143.4-1.1112.7D341 Y345 K351D341-R347 VanDerWaalsContact CG-CZ 3.49Å; D341-R347 IonicContact OD1-CZ 3.91Å; D341-R347 IonicContact OD1-NE 2.77Å; D341-R347 IonicContact OD1-NH1 2.64Å; D341-R347 PolarHBondContact OD1-NH1 3.04Å; D341-R347 VanDerWaalsContact OD1-NH1 3.16Å; D341-R347 IonicContact OD1-NH2 3.24Å; D341-R347 PolarHBondContact OD1-NH2 3.19Å; D341-R347 IonicContact OD2-CZ 2.81Å; D341-R347 IonicContact OD2-NH1 2.6Å; D341-R347 PolarHBondContact OD2-NH1 3.35Å; D341-R347 IonicContact OD2-NH2 3.34Å; D341-R347 PolarHBondContact OD2-NH2 2.84Å; Y345-R347 PolarHBondContact O-N 3.18Å; R347-K351 WeakPolarHBondContact O-CB 3.4Å; R347-K351 PolarHBondContact O-N 2.99Å; R347-K351 VanDerWaalsContact O-N 3.13Å
348R98.2Very high96.5Very high204 Ų20470.8 Ų70.877%0.7733%0.326SS*.Hα-helixtrans-71.9-38.5179.4-171.9179.4-179.9-178.4-0.4111.3Y345 M346 H352Y345-R348 PolarHBondContact O-N 2.82Å; Y345-R348 VanDerWaalsContact O-N 3.12Å; M346-R348 VanDerWaalsContact C-N 3.29Å; M346-R348 PolarHBondContact O-N 3.35Å; R348-H352 PolarHBondContact O-N 3.18Å
349A98.6Very high96.7Very high1 Ų171 Ų711%0.00832%0.324CS..Hα-helixtrans-65.7-49.4175.600000112.1M322 V323 Y345 M346 K351 H352 Y353 E381M322-A349 WeakPolarHBondContact O-CB 3.27Å; V323-A349 HydrophobicContact CG2-CB 4.22Å; Y345-A349 PolarHBondContact O-N 3.33Å; M346-A349 PolarHBondContact O-N 3.24Å; M346-A349 VanDerWaalsContact O-N 3.16Å; A349-K351 VanDerWaalsContact C-N 3.33Å; A349-K351 PolarHBondContact O-N 3.4Å; A349-H352 WeakPolarHBondContact O-CB 3.48Å; A349-H352 PolarHBondContact O-N 3.37Å; A349-Y353 HydrophobicContact CB-CD2 4.43Å; A349-Y353 HydrophobicContact CB-CE2 4.21Å; A349-Y353 WeakPolarHBondContact O-CD2 3.45Å; A349-Y353 PolarHBondContact O-N 3.3Å; A349-E381 HydrophobicContact CB-CB 3.97Å; A349-E381 HydrophobicContact CB-CG 3.84Å
350M98.3Very high97.1Very high31 Ų3164.9 Ų64.915%0.15330%0.295CS..Hα-helixtrans-53.4-49.7175.2-72174.562.700111.6M346 H352 Y353 E354 E381 R383 Y384M346-M350 HydrophobicContact CG-CG 4.32Å; M346-M350 HydrophobicContact CG-SD 3.74Å; M346-M350 WeakPolarHBondContact O-CB 3.43Å; M346-M350 WeakPolarHBondContact O-CG 3.48Å; M346-M350 PolarHBondContact O-N 3.21Å; M346-M350 HydrophobicContact SD-SD 4.42Å; M350-H352 VanDerWaalsContact C-N 3.27Å; M350-H352 PolarHBondContact O-N 2.86Å; M350-Y353 PolarHBondContact O-N 2.93Å; M350-E354 WeakPolarHBondContact O-CB 3.17Å; M350-E354 PolarHBondContact O-N 3.13Å; M350-E381 HydrophobicContact CG-CB 4.08Å; M350-E381 HydrophobicContact CG-CG 3.76Å; M350-R383 VanDerWaalsContact CE-NH2 3.27Å; M350-Y384 HydrophobicContact CB-CE2 4Å; M350-Y384 HydrophobicContact CE-CE2 3.94Å; M350-Y384 WeakPolarHBondContact CE-OH 3.5Å; M350-Y384 HydrophobicContact CG-CE2 4.22Å
351K98.6Very high97.4Very high160 Ų16058.2 Ų58.270%0.69627%0.266SS*.Hα-helixtrans-58.6-38.2178.1-177.4175.4-179.8175.80112.8R347 A349 G355R347-K351 WeakPolarHBondContact O-CB 3.4Å; R347-K351 PolarHBondContact O-N 2.99Å; R347-K351 VanDerWaalsContact O-N 3.13Å; A349-K351 VanDerWaalsContact C-N 3.33Å; A349-K351 PolarHBondContact O-N 3.4Å; K351-G355 PolarHBondContact O-N 3.04Å; K351-G355 VanDerWaalsContact O-N 3.11Å
352H98.7Very high97.7Very high22 Ų2259 Ų5910%0.10227%0.268CS..Hα-helixtrans-68.9-50.6178176.967.9000111.5D192 G287 S291 G321 R348 A349 M350 E354 G355 L356D192-H352 IonicContact OD1-CE1 3.85Å; D192-H352 IonicContact OD2-CE1 3.73Å; D192-H352 PolarHBondContact OD2-CE1 3.01Å; D192-H352 IonicContact OD2-ND1 2.73Å; D192-H352 PolarHBondContact OD2-ND1 3.37Å; G287-H352 PolarHBondContact O-NE2 3.03Å; S291-H352 PolarHBondContact OG-CE1 2.91Å; G321-H352 PolarHBondContact N-CD2 3.15Å; R348-H352 PolarHBondContact O-N 3.18Å; A349-H352 WeakPolarHBondContact O-CB 3.48Å; A349-H352 PolarHBondContact O-N 3.37Å; M350-H352 VanDerWaalsContact C-N 3.27Å; M350-H352 PolarHBondContact O-N 2.86Å; H352-E354 PolarHBondContact O-N 3.29Å; H352-G355 WeakPolarHBondContact O-CA 3.48Å; H352-G355 PolarHBondContact O-N 3Å; H352-G355 VanDerWaalsContact O-N 3.11Å; H352-L356 WeakPolarHBondContact NE2-CD1 3.33Å; H352-L356 PolarHBondContact O-N 2.93Å
353Y98.8Very high97.7Very high1 Ų154.4 Ų54.40%0.00424%0.243CC..Hα-helixtrans-68.6-34.2-178.7-65.3-55.5000113.1L290 C316 G321 V323 A349 M350 G355 L356 A357 E381 L382 L385L290-Y353 HydrophobicContact CD1-CD1 4.09Å; L290-Y353 HydrophobicContact CD1-CE1 3.85Å; C316-Y353 WeakPolarHBondContact CB-OH 3.33Å; G321-Y353 VanDerWaalsContact O-CE2 3.27Å; G321-Y353 WeakPolarHBondContact O-CE2 3.43Å; G321-Y353 PolarHBondContact O-OH 2.83Å; V323-Y353 HydrophobicContact CG2-CE2 4.47Å; A349-Y353 HydrophobicContact CB-CD2 4.43Å; A349-Y353 HydrophobicContact CB-CE2 4.21Å; A349-Y353 WeakPolarHBondContact O-CD2 3.45Å; A349-Y353 PolarHBondContact O-N 3.3Å; M350-Y353 PolarHBondContact O-N 2.93Å; Y353-G355 VanDerWaalsContact C-N 3.33Å; Y353-L356 HydrophobicContact CD1-CD1 4.34Å; Y353-L356 PolarHBondContact O-N 2.89Å; Y353-A357 VanDerWaalsContact O-CB 3.31Å; Y353-A357 WeakPolarHBondContact O-CB 3.47Å; Y353-A357 PolarHBondContact O-N 2.96Å; Y353-E381 WeakPolarHBondContact CB-O 3.45Å; Y353-E381 HydrophobicContact CD2-CB 3.95Å; Y353-E381 HydrophobicContact CE2-CB 4.22Å; Y353-L382 HydrophobicContact CD1-CD2 3.56Å; Y353-L382 HydrophobicContact CD2-CD2 3.95Å; Y353-L382 HydrophobicContact CD2-CG 4.27Å; Y353-L382 HydrophobicContact CE1-CD2 3.34Å; Y353-L382 HydrophobicContact CE1-CG 4.49Å; Y353-L382 HydrophobicContact CE2-CD2 3.75Å; Y353-L382 HydrophobicContact CE2-CG 4.09Å; Y353-L382 HydrophobicContact CG-CD2 3.87Å; Y353-L382 VanDerWaalsContact CZ-CD2 3.43Å; Y353-L385 HydrophobicContact CD1-CD1 4.07Å
354E98.6Very high97.8Very high64 Ų6454.7 Ų54.730%0.29924%0.243SC..Hα-helixtrans-60.9-42.8168.4-174.1-178.2-159.900111.1M350 H352 L356 A357 N358 Y384 Y388M350-E354 WeakPolarHBondContact O-CB 3.17Å; M350-E354 PolarHBondContact O-N 3.13Å; H352-E354 PolarHBondContact O-N 3.29Å; E354-L356 PolarHBondContact O-N 3.48Å; E354-A357 WeakPolarHBondContact O-CB 3.19Å; E354-A357 PolarHBondContact O-N 3.22Å; E354-N358 WeakPolarHBondContact O-CB 3.44Å; E354-N358 VanDerWaalsContact O-CG 3.25Å; E354-N358 PolarHBondContact O-N 2.84Å; E354-N358 PolarHBondContact O-ND2 3.03Å; E354-Y384 HydrophobicContact CB-CD1 4.15Å; E354-Y384 HydrophobicContact CB-CD2 3.97Å; E354-Y384 HydrophobicContact CB-CE2 4.35Å; E354-Y384 HydrophobicContact CB-CG 3.85Å; E354-Y384 HydrophobicContact CG-CD1 3.99Å; E354-Y384 HydrophobicContact CG-CE1 4.27Å; E354-Y384 HydrophobicContact CG-CG 4.19Å; E354-Y388 HydrophobicContact CG-CE2 4.09Å; E354-Y388 PolarHBondContact OE1-OH 3.47Å
355G98.6Very high97.9Very high30 Ų3046.9 Ų46.931%0.30921%0.209SC..Hα-helixtrans-59.3-41.9173.400000113.4K351 H352 Y353 R359K351-G355 PolarHBondContact O-N 3.04Å; K351-G355 VanDerWaalsContact O-N 3.11Å; H352-G355 WeakPolarHBondContact O-CA 3.48Å; H352-G355 PolarHBondContact O-N 3Å; H352-G355 VanDerWaalsContact O-N 3.11Å; Y353-G355 VanDerWaalsContact C-N 3.33Å; G355-R359 WeakPolarHBondContact O-CG 3.32Å; G355-R359 PolarHBondContact O-N 3.24Å
356L98.7Very high97.9Very high4 Ų445.1 Ų45.12%0.02120%0.202CC..Hα-helixtrans-68.5-40.9174.7-67.2-174.9000112.4L290 H352 Y353 E354 N358 R359 A360 L385L290-L356 HydrophobicContact CB-CD1 3.66Å; H352-L356 WeakPolarHBondContact NE2-CD1 3.33Å; H352-L356 PolarHBondContact O-N 2.93Å; Y353-L356 HydrophobicContact CD1-CD1 4.34Å; Y353-L356 PolarHBondContact O-N 2.89Å; E354-L356 PolarHBondContact O-N 3.48Å; L356-N358 VanDerWaalsContact C-N 3.33Å; L356-N358 PolarHBondContact O-N 3.43Å; L356-R359 PolarHBondContact O-N 2.8Å; L356-A360 WeakPolarHBondContact O-CB 3.28Å; L356-A360 PolarHBondContact O-N 2.85Å; L356-L385 HydrophobicContact CB-CD2 3.91Å
357A98.7Very high98Very high0 Ų044.2 Ų44.20%020%0.198CC..Hα-helixtrans-60.3-43.2175.800000111.5Y353 E354 R359 A360 A361 Y384 L385 Y388Y353-A357 VanDerWaalsContact O-CB 3.31Å; Y353-A357 WeakPolarHBondContact O-CB 3.47Å; Y353-A357 PolarHBondContact O-N 2.96Å; E354-A357 WeakPolarHBondContact O-CB 3.19Å; E354-A357 PolarHBondContact O-N 3.22Å; A357-R359 PolarHBondContact O-N 2.82Å; A357-A360 PolarHBondContact O-N 2.81Å; A357-A361 VanDerWaalsContact O-CB 3.24Å; A357-A361 WeakPolarHBondContact O-CB 3.43Å; A357-A361 PolarHBondContact O-N 2.98Å; A357-Y384 VanDerWaalsContact CB-C 3.48Å; A357-Y384 VanDerWaalsContact CB-O 3.31Å; A357-Y384 WeakPolarHBondContact CB-O 3.4Å; A357-L385 HydrophobicContact CB-CD2 4.22Å; A357-Y388 HydrophobicContact CB-CD2 3.77Å; A357-Y388 HydrophobicContact CB-CG 4.19Å
358N98.3Very high98.1Very high58 Ų5836.5 Ų36.531%0.3117%0.169SC..Hα-helixtrans-58.3-46.7173.7-75-38.8000112E354 L356 A361 Q362 Y388 F446E354-N358 WeakPolarHBondContact O-CB 3.44Å; E354-N358 VanDerWaalsContact O-CG 3.25Å; E354-N358 PolarHBondContact O-N 2.84Å; E354-N358 PolarHBondContact O-ND2 3.03Å; L356-N358 VanDerWaalsContact C-N 3.33Å; L356-N358 PolarHBondContact O-N 3.43Å; N358-A361 PolarHBondContact O-N 3.25Å; N358-Q362 VanDerWaalsContact O-CB 3.23Å; N358-Q362 WeakPolarHBondContact O-CB 3.44Å; N358-Q362 PolarHBondContact O-N 3.42Å; N358-Y388 WeakPolarHBondContact OD1-CE2 3.26Å; N358-F446 WeakPolarHBondContact OD1-CE2 3.23Å; N358-F446 WeakPolarHBondContact OD1-CZ 3.35Å
359R97.8Very high98.1Very high52 Ų5226.8 Ų26.820%0.19613%0.132CC..Hα-helixtrans-64.1-45.5178.3-72.9172.160.7-157.9-6112.1Y193 G195 V294 E298 G355 L356 A357 N363Y193-R359 PolarHBondContact O-NH1 3.14Å; G195-R359 VanDerWaalsContact N-NH2 3.17Å; V294-R359 HydrophobicContact CG1-CB 3.83Å; E298-R359 IonicContact OE2-CZ 3.75Å; E298-R359 IonicContact OE2-NE 3.08Å; E298-R359 PolarHBondContact OE2-NE 3.2Å; E298-R359 IonicContact OE2-NH2 3.68Å; E298-R359 PolarHBondContact OE2-NH2 3.49Å; G355-R359 WeakPolarHBondContact O-CG 3.32Å; G355-R359 PolarHBondContact O-N 3.24Å; L356-R359 PolarHBondContact O-N 2.8Å; A357-R359 PolarHBondContact O-N 2.82Å; R359-N363 PolarHBondContact O-N 2.8Å; R359-N363 PolarHBondContact O-ND2 3.06Å
360A98.4Very high98.1Very high0 Ų026.7 Ų26.70%013%0.132CC..Hα-helixtrans-61.4-45.7176.300000110.8V294 L356 A357 N363 L364 H365 V367 T389V294-A360 HydrophobicContact CG1-CB 4.33Å; V294-A360 HydrophobicContact CG2-CB 4.21Å; L356-A360 WeakPolarHBondContact O-CB 3.28Å; L356-A360 PolarHBondContact O-N 2.85Å; A357-A360 PolarHBondContact O-N 2.81Å; A360-N363 CarbonylContact O-C 3.51Å; A360-N363 PolarHBondContact O-N 3.13Å; A360-N363 VanDerWaalsContact O-N 3.16Å; A360-L364 PolarHBondContact O-N 3.44Å; A360-L364 VanDerWaalsContact O-N 3.13Å; A360-H365 HydrophobicContact CB-CB 4.38Å; A360-H365 PolarHBondContact O-N 3.38Å; A360-V367 HydrophobicContact CB-CG2 4.05Å; A360-T389 HydrophobicContact CB-CG2 3.97Å
361A98Very high98.1Very high0 Ų025.4 Ų25.40%013%0.125CC..Hα-helixtrans-72.3-34.4-177.400000115.1A357 N358 N363 L364 T389 F446 R469 N471A357-A361 VanDerWaalsContact O-CB 3.24Å; A357-A361 WeakPolarHBondContact O-CB 3.43Å; A357-A361 PolarHBondContact O-N 2.98Å; N358-A361 PolarHBondContact O-N 3.25Å; A361-N363 PolarHBondContact O-N 2.78Å; A361-L364 PolarHBondContact O-N 3.45Å; A361-T389 HydrophobicContact CB-CG2 4.29Å; A361-F446 HydrophobicContact CB-CB 3.79Å; A361-F446 HydrophobicContact CB-CD1 3.71Å; A361-F446 HydrophobicContact CB-CD2 4.02Å; A361-F446 HydrophobicContact CB-CE1 4.28Å; A361-F446 HydrophobicContact CB-CG 3.55Å; A361-R469 WeakPolarHBondContact O-CD 3.21Å; A361-N471 WeakPolarHBondContact CA-ND2 3.49Å; A361-N471 VanDerWaalsContact CB-ND2 3.34Å; A361-N471 WeakPolarHBondContact CB-ND2 3.28Å
362Q96.1Very high98Very high96 Ų9618 Ų1845%0.4499%0.094SC..Hα-helixtrans-60.1-30.5170.4-175.863.628.400112.2N358 R469N358-Q362 VanDerWaalsContact O-CB 3.23Å; N358-Q362 WeakPolarHBondContact O-CB 3.44Å; N358-Q362 PolarHBondContact O-N 3.42Å; Q362-R469 VanDerWaalsContact NE2-NH2 3.19Å; Q362-R469 VanDerWaalsContact OE1-CZ 3.27Å
363N95.1Very high97.9Very high19 Ų1918.4 Ų18.410%0.10210%0.099CC..THydrogen-bonded Turntrans-98.78.4179.7-71.7-73.2000114.2P302 N303 R359 A360 A361 H365P302-N363 WeakPolarHBondContact CB-OD1 3.31Å; N303-N363 VanDerWaalsContact CA-O 3.24Å; N303-N363 WeakPolarHBondContact CA-O 3.18Å; N303-N363 PolarHBondContact N-O 3Å; R359-N363 PolarHBondContact O-N 2.8Å; R359-N363 PolarHBondContact O-ND2 3.06Å; A360-N363 CarbonylContact O-C 3.51Å; A360-N363 PolarHBondContact O-N 3.13Å; A360-N363 VanDerWaalsContact O-N 3.16Å; A361-N363 PolarHBondContact O-N 2.78Å; N363-H365 VanDerWaalsContact C-N 3.28Å; N363-H365 WeakPolarHBondContact CB-NE2 3.49Å; N363-H365 PolarHBondContact O-CE1 3.41Å; N363-H365 VanDerWaalsContact O-CE1 3.23Å; N363-H365 PolarHBondContact O-N 2.84Å; N363-H365 PolarHBondContact O-ND1 2.58Å
364L96.1Very high97.6Very high22 Ų2226 Ų2612%0.11514%0.139CC..THydrogen-bonded Turntrans62.729.4179.2-58.9176.9000114.6N303 A360 A361 A425 R469N303-L364 HydrophobicContact CB-CD1 4.23Å; A360-L364 PolarHBondContact O-N 3.44Å; A360-L364 VanDerWaalsContact O-N 3.13Å; A361-L364 PolarHBondContact O-N 3.45Å; L364-A425 HydrophobicContact CB-CB 3.83Å; L364-A425 HydrophobicContact CD1-CB 3.97Å; L364-A425 HydrophobicContact CG-CB 4.48Å; L364-R469 HydrophobicContact CD2-CB 4.01Å; L364-R469 HydrophobicContact CD2-CG 4.05Å
365H97.7Very high97.4Very high2 Ų227 Ų271%0.00915%0.147CC..EExtended strand (participates in β ladder)trans-94.8150.2175-56.2-31.5000111.8L297 Y301 T304 A360 N363 T389 N471L297-H365 VanDerWaalsContact CB-CD2 3.5Å; L297-H365 WeakPolarHBondContact CB-CD2 3.46Å; L297-H365 WeakPolarHBondContact CB-NE2 3.39Å; L297-H365 HydrophobicContact CD1-CB 4.36Å; Y301-H365 PolarHBondContact O-CE1 2.97Å; T304-H365 PolarHBondContact O-CE1 3.48Å; T304-H365 PolarHBondContact O-ND1 3.49Å; T304-H365 VanDerWaalsContact O-ND1 3.08Å; A360-H365 HydrophobicContact CB-CB 4.38Å; A360-H365 PolarHBondContact O-N 3.38Å; N363-H365 VanDerWaalsContact C-N 3.28Å; N363-H365 WeakPolarHBondContact CB-NE2 3.49Å; N363-H365 PolarHBondContact O-CE1 3.41Å; N363-H365 VanDerWaalsContact O-CE1 3.23Å; N363-H365 PolarHBondContact O-N 2.84Å; N363-H365 PolarHBondContact O-ND1 2.58Å; H365-T389 VanDerWaalsContact O-CB 3.32Å; H365-T389 WeakPolarHBondContact O-CB 3.18Å; H365-T389 WeakPolarHBondContact O-CG2 3.46Å; H365-N471 WeakPolarHBondContact O-CB 3.35Å; H365-N471 PolarHBondContact O-ND2 2.71Å
366V98.5Very high97.3Very high0 Ų026.9 Ų26.90%014%0.138CC..EExtended strand (participates in β ladder)trans-101.3141.1177.1-172.40000109.2A306 R307 V308 L424 N471 G472A306-V366 PolarHBondContact O-N 2.99Å; R307-V366 CarbonylContact C-O 3.54Å; R307-V366 WeakPolarHBondContact CA-O 3.28Å; R307-V366 HydrophobicContact CB-CB 4.3Å; R307-V366 HydrophobicContact CG-CB 4Å; R307-V366 HydrophobicContact CG-CG2 4.29Å; V308-V366 PolarHBondContact N-O 2.99Å; V366-L424 HydrophobicContact CG2-CD2 4.12Å; V366-N471 VanDerWaalsContact CG2-C 3.47Å; V366-N471 HydrophobicContact CG2-CB 4.11Å; V366-N471 WeakPolarHBondContact CG2-O 3.45Å; V366-G472 VanDerWaalsContact CG2-CA 3.49Å
367V98.8Very high97.3Very high0 Ų026.8 Ų26.80%014%0.137CC..EExtended strand (participates in β ladder)trans-123.3108.9169.6-175.20000108.4L290 V308 A360 L385 T386 T389 G391L290-V367 HydrophobicContact CD2-CG1 4.04Å; V308-V367 HydrophobicContact CB-CG1 4.41Å; V308-V367 HydrophobicContact CB-CG2 4.28Å; V308-V367 CarbonylContact O-C 3.55Å; V308-V367 WeakPolarHBondContact O-CA 3.12Å; A360-V367 HydrophobicContact CB-CG2 4.05Å; V367-L385 HydrophobicContact CB-CB 4.02Å; V367-L385 HydrophobicContact CG1-CB 3.89Å; V367-L385 HydrophobicContact CG1-CD1 4.3Å; V367-L385 HydrophobicContact CG1-CD2 4.32Å; V367-L385 HydrophobicContact CG1-CG 4.4Å; V367-L385 HydrophobicContact CG2-CD2 4.41Å; V367-T386 WeakPolarHBondContact O-CG2 3.3Å; V367-T389 HydrophobicContact CG2-CG2 4.48Å; V367-T389 PolarHBondContact N-OG1 2.78Å; V367-G391 WeakPolarHBondContact O-CA 3.45Å
368D98.7Very high97.3Very high0 Ų026.8 Ų26.80%014%0.137CC..EExtended strand (participates in β ladder)trans-90.4143.8172.3-57.6-58000109.6R307 V308 L310 F370 G391 H392R307-D368 IonicContact CZ-OD1 3.7Å; R307-D368 IonicContact CZ-OD2 3.25Å; R307-D368 IonicContact NE-OD1 3.76Å; R307-D368 IonicContact NE-OD2 2.89Å; R307-D368 PolarHBondContact NE-OD2 2.61Å; R307-D368 VanDerWaalsContact NH2-CG 3.31Å; R307-D368 IonicContact NH2-OD1 3.92Å; R307-D368 PolarHBondContact NH2-OD1 2.55Å; R307-D368 IonicContact NH2-OD2 3.48Å; R307-D368 PolarHBondContact NH2-OD2 3.37Å; R307-D368 VanDerWaalsContact NH2-OD2 3.08Å; V308-D368 PolarHBondContact O-N 2.8Å; L310-D368 WeakPolarHBondContact CB-O 3.46Å; L310-D368 PolarHBondContact N-O 3.28Å; D368-F370 HydrophobicContact CB-CD2 4.42Å; D368-F370 HydrophobicContact CB-CE2 3.62Å; D368-F370 HydrophobicContact CB-CZ 4.11Å; D368-G391 WeakPolarHBondContact OD1-CA 3.15Å; D368-H392 CarbonylContact C-O 3.57Å; D368-H392 WeakPolarHBondContact CA-O 3.4Å; D368-H392 IonicContact OD1-CD2 3.62Å; D368-H392 PolarHBondContact OD1-CD2 2.76Å; D368-H392 VanDerWaalsContact OD1-CD2 3.24Å; D368-H392 IonicContact OD1-CG 2.69Å; D368-H392 PolarHBondContact OD1-N 3.31Å
369I98.8Very high97.3Very high0 Ų024 Ų240%012%0.122CC..EExtended strand (participates in β ladder)trans-125.9119.4177.2-53.5170.2000108.8L310 L379 L382 L385 T386 H392 I394L310-I369 HydrophobicContact CD2-CG1 4.41Å; L310-I369 HydrophobicContact CD2-CG2 4.33Å; I369-L379 HydrophobicContact CB-CD2 4.4Å; I369-L379 HydrophobicContact CG2-CD2 3.6Å; I369-L382 HydrophobicContact CD1-CB 3.7Å; I369-L385 HydrophobicContact CD1-CB 4.28Å; I369-L385 HydrophobicContact CD1-CD1 4.26Å; I369-T386 HydrophobicContact CB-CG2 4.36Å; I369-T386 HydrophobicContact CD1-CG2 3.81Å; I369-T386 HydrophobicContact CG1-CG2 3.87Å; I369-H392 PolarHBondContact N-O 2.84Å; I369-I394 PolarHBondContact O-N 3.16Å
370F98.6Very high97.3Very high0 Ų022.5 Ų22.50%012%0.118CC..EExtended strand (participates in β ladder)trans-112.297174.5-60.8-80.8000108.2M309 L310 F311 L312 D368 I394 F404 Y408 V411M309-F370 HydrophobicContact CB-CE2 4.15Å; M309-F370 HydrophobicContact CE-CE2 3.56Å; M309-F370 HydrophobicContact CE-CZ 3.74Å; M309-F370 HydrophobicContact CG-CE2 4.46Å; L310-F370 PolarHBondContact O-N 3.1Å; F311-F370 WeakPolarHBondContact CA-O 3.15Å; F311-F370 HydrophobicContact CD1-CB 3.65Å; F311-F370 HydrophobicContact CD1-CD2 4.15Å; F311-F370 HydrophobicContact CD1-CG 4.1Å; F311-F370 HydrophobicContact CE1-CB 3.97Å; F311-F370 AromaticContact CE1-CD2 3.79Å; F311-F370 HydrophobicContact CE1-CD2 3.79Å; F311-F370 AromaticContact CE1-CG 3.9Å; F311-F370 HydrophobicContact CE1-CG 3.9Å; F311-F370 HydrophobicContact CG-CB 4.4Å; F311-F370 HydrophobicContact CZ-CD2 4Å; F311-F370 HydrophobicContact CZ-CE2 4.42Å; L312-F370 PolarHBondContact N-O 2.94Å; D368-F370 HydrophobicContact CB-CD2 4.42Å; D368-F370 HydrophobicContact CB-CE2 3.62Å; D368-F370 HydrophobicContact CB-CZ 4.11Å; F370-I394 HydrophobicContact CD1-CB 3.82Å; F370-I394 HydrophobicContact CD1-CG1 3.69Å; F370-I394 HydrophobicContact CD1-CG2 4.37Å; F370-I394 HydrophobicContact CE1-CB 4.32Å; F370-I394 HydrophobicContact CE1-CG1 3.65Å; F370-F404 HydrophobicContact CB-CE2 3.99Å; F370-F404 HydrophobicContact CB-CZ 4.29Å; F370-F404 HydrophobicContact CD1-CE2 4.03Å; F370-F404 HydrophobicContact CD1-CZ 4.44Å; F370-F404 HydrophobicContact CG-CE2 4.42Å; F370-Y408 AromaticContact CD1-CD2 3.89Å; F370-Y408 HydrophobicContact CD1-CD2 3.89Å; F370-Y408 HydrophobicContact CD1-CE2 4.49Å; F370-Y408 AromaticContact CE1-CD2 3.59Å; F370-Y408 HydrophobicContact CE1-CD2 3.59Å; F370-Y408 HydrophobicContact CE1-CE2 4.14Å; F370-Y408 HydrophobicContact CE2-CD2 4.42Å; F370-Y408 HydrophobicContact CE2-CE2 4.16Å; F370-Y408 HydrophobicContact CG-CD2 4.44Å; F370-Y408 AromaticContact CZ-CD2 3.88Å; F370-Y408 HydrophobicContact CZ-CD2 3.88Å; F370-Y408 AromaticContact CZ-CE2 3.97Å; F370-Y408 HydrophobicContact CZ-CE2 3.97Å; F370-V411 HydrophobicContact CE1-CG2 4.07Å; F370-V411 HydrophobicContact CZ-CG2 4.04Å
371S98.1Very high97.3Very high3 Ų322.5 Ų22.52%0.02112%0.118CC..EExtended strand (participates in β ladder)trans-106116-173.6171.70000110L312 T377 I394 M395 G396L312-S371 WeakPolarHBondContact O-CA 3.46Å; S371-T377 WeakPolarHBondContact OG-CB 3.34Å; S371-T377 WeakPolarHBondContact OG-CG2 3.34Å; S371-T377 PolarHBondContact OG-OG1 3.13Å; S371-I394 PolarHBondContact N-O 2.9Å; S371-M395 CarbonylContact O-C 3.51Å; S371-M395 WeakPolarHBondContact O-CA 3.29Å; S371-G396 PolarHBondContact O-N 2.93Å
372C97.9Very high97.3Very high6 Ų622.6 Ų22.64%0.04112%0.118CC..EExtended strand (participates in β ladder)trans-124114.2172.1-65.60000111.4L312 G313 G396 F399 F404L312-C372 PolarHBondContact O-N 2.82Å; G313-C372 WeakPolarHBondContact CA-O 3.41Å; C372-G396 WeakPolarHBondContact CA-O 3.28Å; C372-F399 HydrophobicContact CB-CD1 3.82Å; C372-F399 HydrophobicContact CB-CD2 3.66Å; C372-F399 HydrophobicContact CB-CE1 3.77Å; C372-F399 HydrophobicContact CB-CE2 3.59Å; C372-F399 HydrophobicContact CB-CG 3.77Å; C372-F399 HydrophobicContact CB-CZ 3.66Å; C372-F399 VanDerWaalsContact SG-CD1 3.59Å; C372-F404 WeakPolarHBondContact SG-CD2 3.34Å
373S95.4Very high97.4Very high29 Ų2918.9 Ų18.920%0.20310%0.1CC..  trans-167.1143.6-179.6170.30000109.8D375 G396S373-D375 VanDerWaalsContact C-N 3.28Å; S373-D375 CarbonylContact C-O 3.57Å; S373-D375 WeakPolarHBondContact CB-O 3.32Å; S373-D375 PolarHBondContact OG-N 2.97Å; S373-D375 VanDerWaalsContact OG-N 3.15Å; S373-D375 PolarHBondContact OG-O 2.93Å; S373-G396 PolarHBondContact N-O 3.31Å; S373-G396 VanDerWaalsContact N-O 3.09Å
374L93.1Very high97.6Very high161 Ų16119.2 Ų19.284%0.84310%0.1SC*.SBendtrans-71.4-25172.7-66.3174.4000112.7D397L374-D397 HydrophobicContact CD2-CB 3.99Å
375D93.9Very high97.7Very high86 Ų8618.2 Ų18.246%0.4610%0.095SC..SBendtrans-105171.8170.3-168.616.8000110.2S373S373-D375 VanDerWaalsContact C-N 3.28Å; S373-D375 CarbonylContact C-O 3.57Å; S373-D375 WeakPolarHBondContact CB-O 3.32Å; S373-D375 PolarHBondContact OG-N 2.97Å; S373-D375 VanDerWaalsContact OG-N 3.15Å; S373-D375 PolarHBondContact OG-O 2.93Å
376Q97.4Very high97.8Very high26 Ų2618.1 Ų18.112%0.1219%0.094CC..  trans-67.6147.3-179.7-65.4-179.778.300113.1P315 I332 R333 S624 D626P315-Q376 WeakPolarHBondContact CD-O 3.41Å; I332-Q376 HydrophobicContact CD1-CB 3.81Å; I332-Q376 HydrophobicContact CG1-CB 4.42Å; I332-Q376 HydrophobicContact CG2-CB 4.01Å; R333-Q376 PolarHBondContact O-NE2 3.18Å; Q376-S624 VanDerWaalsContact CD-CB 3.48Å; Q376-D626 HydrophobicContact CB-CB 4.44Å; Q376-D626 WeakPolarHBondContact CB-OD2 3.39Å; Q376-D626 HydrophobicContact CG-CB 4.18Å
377T97.9Very high97.7Very high2 Ų219.4 Ų19.41%0.01210%0.101CC..  trans-109.1-4.6-178.570.80000113.3P315 S371 D626P315-T377 VanDerWaalsContact CA-O 3.27Å; P315-T377 WeakPolarHBondContact CA-O 3.42Å; S371-T377 WeakPolarHBondContact OG-CB 3.34Å; S371-T377 WeakPolarHBondContact OG-CG2 3.34Å; S371-T377 PolarHBondContact OG-OG1 3.13Å; T377-D626 PolarHBondContact N-OD2 3.14Å
378G98.2Very high97.7Very high0 Ų021.7 Ų21.70%011%0.11CC..SBendtrans90.224.4-173.600000113.3H380 E381 L382 D626G378-H380 PolarHBondContact O-N 3.31Å; G378-E381 WeakPolarHBondContact CA-OE2 3.27Å; G378-E381 PolarHBondContact O-N 3.38Å; G378-E381 VanDerWaalsContact O-N 3.08Å; G378-L382 WeakPolarHBondContact O-CB 3.4Å; G378-L382 WeakPolarHBondContact O-CD1 3.33Å; G378-L382 VanDerWaalsContact O-CG 3.32Å; G378-L382 WeakPolarHBondContact O-CG 3.5Å; G378-L382 PolarHBondContact O-N 2.71Å; G378-D626 PolarHBondContact N-OD2 3.35Å
379L98.5Very high97.7Very high0 Ų021.8 Ų21.80%011%0.111CC..Hα-helixtrans-55-34.4173.9-74.1-178.8000111.6I369 E381 L382 R383 M393 M395 D626I369-L379 HydrophobicContact CB-CD2 4.4Å; I369-L379 HydrophobicContact CG2-CD2 3.6Å; L379-E381 PolarHBondContact O-N 3.41Å; L379-L382 PolarHBondContact O-N 2.68Å; L379-R383 WeakPolarHBondContact O-CB 3.42Å; L379-R383 PolarHBondContact O-N 3.43Å; L379-M393 HydrophobicContact CB-SD 4.44Å; L379-M393 HydrophobicContact CD1-CG 4.34Å; L379-M393 HydrophobicContact CD1-SD 4.42Å; L379-M393 HydrophobicContact CD2-CG 4.07Å; L379-M393 HydrophobicContact CD2-SD 4.47Å; L379-M395 HydrophobicContact CD1-CB 3.83Å; L379-M395 HydrophobicContact CD1-CG 3.8Å; L379-M395 HydrophobicContact CD1-SD 3.93Å; L379-D626 HydrophobicContact CB-CB 3.89Å; L379-D626 PolarHBondContact N-OD1 3Å; L379-D626 VanDerWaalsContact N-OD1 3.1Å; L379-D626 PolarHBondContact N-OD2 2.79Å
380H98.1Very high97.7Very high21 Ų2121.9 Ų21.910%0.09711%0.112CC..Hα-helixtrans-53.7-52.5174-173.977.6000111.3G378 R383 P625 D626G378-H380 PolarHBondContact O-N 3.31Å; H380-R383 PolarHBondContact CD2-NH1 3.32Å; H380-R383 PolarHBondContact CE1-NH1 3.02Å; H380-R383 VanDerWaalsContact CE1-NH1 3.32Å; H380-R383 PolarHBondContact NE2-NH1 3.36Å; H380-R383 VanDerWaalsContact O-CD 3.26Å; H380-R383 WeakPolarHBondContact O-CD 3.29Å; H380-R383 WeakPolarHBondContact O-CG 3.29Å; H380-R383 PolarHBondContact O-NH1 2.7Å; H380-P625 HydrophobicContact CB-CB 3.98Å; H380-D626 WeakPolarHBondContact CB-OD1 3.15Å; H380-D626 PolarHBondContact N-OD1 3Å
381E98.4Very high97.6Very high0 Ų021.9 Ų21.90%011%0.112CC..Hα-helixtrans-73.1-32.7-180-64.390.3163.300113.1V323 R333 M346 A349 M350 Y353 G378 L379 R383V323-E381 HydrophobicContact CG2-CB 4.28Å; V323-E381 HydrophobicContact CG2-CG 4.34Å; R333-E381 WeakPolarHBondContact CD-OE1 3.45Å; R333-E381 IonicContact CZ-OE1 2.77Å; R333-E381 IonicContact CZ-OE2 2.72Å; R333-E381 IonicContact NE-OE1 3.86Å; R333-E381 PolarHBondContact NE-OE1 3.14Å; R333-E381 IonicContact NE-OE2 3.58Å; R333-E381 PolarHBondContact NE-OE2 2.83Å; R333-E381 IonicContact NH2-OE1 3.35Å; R333-E381 IonicContact NH2-OE2 3.76Å; R333-E381 PolarHBondContact NH2-OE2 2.83Å; M346-E381 HydrophobicContact CG-CG 4.08Å; A349-E381 HydrophobicContact CB-CB 3.97Å; A349-E381 HydrophobicContact CB-CG 3.84Å; M350-E381 HydrophobicContact CG-CB 4.08Å; M350-E381 HydrophobicContact CG-CG 3.76Å; Y353-E381 WeakPolarHBondContact CB-O 3.45Å; Y353-E381 HydrophobicContact CD2-CB 3.95Å; Y353-E381 HydrophobicContact CE2-CB 4.22Å; G378-E381 WeakPolarHBondContact CA-OE2 3.27Å; G378-E381 PolarHBondContact O-N 3.38Å; G378-E381 VanDerWaalsContact O-N 3.08Å; L379-E381 PolarHBondContact O-N 3.41Å; E381-R383 VanDerWaalsContact C-N 3.33Å
382L98.8Very high97.6Very high1 Ų122 Ų221%0.00511%0.112CC..Hα-helixtrans-75.3-17.5-179.9-69.5162.3000113.5V286 L290 L312 Y353 I369 G378 L379 Y384 L385V286-L382 HydrophobicContact CG1-CD2 4.28Å; L290-L382 HydrophobicContact CD1-CD2 3.99Å; L312-L382 HydrophobicContact CD2-CD1 3.73Å; Y353-L382 HydrophobicContact CD1-CD2 3.56Å; Y353-L382 HydrophobicContact CD2-CD2 3.95Å; Y353-L382 HydrophobicContact CD2-CG 4.27Å; Y353-L382 HydrophobicContact CE1-CD2 3.34Å; Y353-L382 HydrophobicContact CE1-CG 4.49Å; Y353-L382 HydrophobicContact CE2-CD2 3.75Å; Y353-L382 HydrophobicContact CE2-CG 4.09Å; Y353-L382 HydrophobicContact CG-CD2 3.87Å; Y353-L382 VanDerWaalsContact CZ-CD2 3.43Å; I369-L382 HydrophobicContact CD1-CB 3.7Å; G378-L382 WeakPolarHBondContact O-CB 3.4Å; G378-L382 WeakPolarHBondContact O-CD1 3.33Å; G378-L382 VanDerWaalsContact O-CG 3.32Å; G378-L382 WeakPolarHBondContact O-CG 3.5Å; G378-L382 PolarHBondContact O-N 2.71Å; L379-L382 PolarHBondContact O-N 2.68Å; L382-Y384 PolarHBondContact O-N 2.79Å; L382-L385 HydrophobicContact CB-CD1 4.26Å; L382-L385 HydrophobicContact CD2-CD1 3.59Å; L382-L385 VanDerWaalsContact O-CB 3.28Å; L382-L385 WeakPolarHBondContact O-CB 3.36Å; L382-L385 WeakPolarHBondContact O-CG 3.48Å; L382-L385 PolarHBondContact O-N 3.32Å
383R98.3Very high97.6Very high18 Ų1821.8 Ų21.87%0.06811%0.11CC..Hα-helixtrans-50.9-29.7-169.574.3-173.4-176.5-94.69.9115.9M350 L379 H380 E381 L385 T386 N387 M393 A629M350-R383 VanDerWaalsContact CE-NH2 3.27Å; L379-R383 WeakPolarHBondContact O-CB 3.42Å; L379-R383 PolarHBondContact O-N 3.43Å; H380-R383 PolarHBondContact CD2-NH1 3.32Å; H380-R383 PolarHBondContact CE1-NH1 3.02Å; H380-R383 VanDerWaalsContact CE1-NH1 3.32Å; H380-R383 PolarHBondContact NE2-NH1 3.36Å; H380-R383 VanDerWaalsContact O-CD 3.26Å; H380-R383 WeakPolarHBondContact O-CD 3.29Å; H380-R383 WeakPolarHBondContact O-CG 3.29Å; H380-R383 PolarHBondContact O-NH1 2.7Å; E381-R383 VanDerWaalsContact C-N 3.33Å; R383-L385 PolarHBondContact O-N 3.11Å; R383-T386 PolarHBondContact O-N 3.39Å; R383-T386 PolarHBondContact O-OG1 2.8Å; R383-T386 VanDerWaalsContact O-OG1 3.13Å; R383-N387 VanDerWaalsContact O-CB 3.29Å; R383-N387 WeakPolarHBondContact O-CB 3.15Å; R383-N387 PolarHBondContact O-N 2.65Å; R383-M393 HydrophobicContact CB-CE 3.71Å; R383-A629 HydrophobicContact CB-CB 4.38Å
384Y98.4Very high97.7Very high27 Ų2720.6 Ų20.611%0.10610%0.102CC..Hα-helixtrans-60.1-34.9178.7-63-78.5000112M350 E354 A357 L382 T386 N387 Y388M350-Y384 HydrophobicContact CB-CE2 4Å; M350-Y384 HydrophobicContact CE-CE2 3.94Å; M350-Y384 WeakPolarHBondContact CE-OH 3.5Å; M350-Y384 HydrophobicContact CG-CE2 4.22Å; E354-Y384 HydrophobicContact CB-CD1 4.15Å; E354-Y384 HydrophobicContact CB-CD2 3.97Å; E354-Y384 HydrophobicContact CB-CE2 4.35Å; E354-Y384 HydrophobicContact CB-CG 3.85Å; E354-Y384 HydrophobicContact CG-CD1 3.99Å; E354-Y384 HydrophobicContact CG-CE1 4.27Å; E354-Y384 HydrophobicContact CG-CG 4.19Å; A357-Y384 VanDerWaalsContact CB-C 3.48Å; A357-Y384 VanDerWaalsContact CB-O 3.31Å; A357-Y384 WeakPolarHBondContact CB-O 3.4Å; L382-Y384 PolarHBondContact O-N 2.79Å; Y384-T386 VanDerWaalsContact C-N 3.35Å; Y384-T386 PolarHBondContact O-N 3.18Å; Y384-N387 PolarHBondContact O-N 2.78Å; Y384-Y388 AromaticContact CD1-CE1 3.99Å; Y384-Y388 HydrophobicContact CD1-CE1 3.99Å; Y384-Y388 HydrophobicContact CD1-CE2 4.44Å; Y384-Y388 AromaticContact CD1-CZ 3.84Å; Y384-Y388 WeakPolarHBondContact O-CB 3.49Å; Y384-Y388 PolarHBondContact O-N 2.9Å
385L98.8Very high97.9Very high0 Ų015.4 Ų15.40%07%0.074CC..Hα-helixtrans-59-45.8-179.4-65.1166000111.1L290 Y353 L356 A357 V367 I369 L382 R383 T389L290-L385 HydrophobicContact CD1-CD1 3.49Å; L290-L385 VanDerWaalsContact CD1-CD1 3.49Å; Y353-L385 HydrophobicContact CD1-CD1 4.07Å; L356-L385 HydrophobicContact CB-CD2 3.91Å; A357-L385 HydrophobicContact CB-CD2 4.22Å; V367-L385 HydrophobicContact CB-CB 4.02Å; V367-L385 HydrophobicContact CG1-CB 3.89Å; V367-L385 HydrophobicContact CG1-CD1 4.3Å; V367-L385 HydrophobicContact CG1-CD2 4.32Å; V367-L385 HydrophobicContact CG1-CG 4.4Å; V367-L385 HydrophobicContact CG2-CD2 4.41Å; I369-L385 HydrophobicContact CD1-CB 4.28Å; I369-L385 HydrophobicContact CD1-CD1 4.26Å; L382-L385 HydrophobicContact CB-CD1 4.26Å; L382-L385 HydrophobicContact CD2-CD1 3.59Å; L382-L385 VanDerWaalsContact O-CB 3.28Å; L382-L385 WeakPolarHBondContact O-CB 3.36Å; L382-L385 WeakPolarHBondContact O-CG 3.48Å; L382-L385 PolarHBondContact O-N 3.32Å; R383-L385 PolarHBondContact O-N 3.11Å; L385-T389 VanDerWaalsContact O-CB 3.29Å; L385-T389 WeakPolarHBondContact O-CB 3.44Å; L385-T389 WeakPolarHBondContact O-CG2 2.98Å; L385-T389 PolarHBondContact O-N 2.81Å; L385-T389 PolarHBondContact O-OG1 3.14Å
386T98.5Very high98Very high0 Ų011.9 Ų11.90%06%0.058CC..Hα-helixtrans-82.4-39.1178.754.30000111.7V367 I369 R383 Y384 Y388 T389 G390 G391 H392 M393V367-T386 WeakPolarHBondContact O-CG2 3.3Å; I369-T386 HydrophobicContact CB-CG2 4.36Å; I369-T386 HydrophobicContact CD1-CG2 3.81Å; I369-T386 HydrophobicContact CG1-CG2 3.87Å; R383-T386 PolarHBondContact O-N 3.39Å; R383-T386 PolarHBondContact O-OG1 2.8Å; R383-T386 VanDerWaalsContact O-OG1 3.13Å; Y384-T386 VanDerWaalsContact C-N 3.35Å; Y384-T386 PolarHBondContact O-N 3.18Å; T386-Y388 PolarHBondContact O-N 3.45Å; T386-T389 PolarHBondContact O-N 2.92Å; T386-G390 VanDerWaalsContact O-CA 3.29Å; T386-G390 WeakPolarHBondContact O-CA 3.18Å; T386-G390 PolarHBondContact O-N 3.09Å; T386-G391 WeakPolarHBondContact CB-O 3.41Å; T386-G391 PolarHBondContact O-N 3.42Å; T386-H392 WeakPolarHBondContact CG2-O 3.36Å; T386-M393 HydrophobicContact CG2-CB 4.07Å; T386-M393 WeakPolarHBondContact OG1-CE 3.48Å
387N98.2Very high97.9Very high28 Ų2816 Ų1615%0.158%0.08CC..Hα-helixtrans-64.1-40.7-179.1-72.8-9.3000112.7R383 Y384 P444 C445 H633R383-N387 VanDerWaalsContact O-CB 3.29Å; R383-N387 WeakPolarHBondContact O-CB 3.15Å; R383-N387 PolarHBondContact O-N 2.65Å; Y384-N387 PolarHBondContact O-N 2.78Å; N387-P444 CarbonylContact O-C 3.16Å; N387-P444 VanDerWaalsContact O-CA 3.25Å; N387-P444 WeakPolarHBondContact O-CA 3.37Å; N387-C445 PolarHBondContact O-N 2.96Å; N387-H633 PolarHBondContact OD1-ND1 2.92Å
388Y98.3Very high97.8Very high48 Ų4817 Ų1719%0.1889%0.087CC..Hα-helixtrans-83.3-23.4-178.4-69.56.9000112.3E354 A357 N358 Y384 T386 F446E354-Y388 HydrophobicContact CG-CE2 4.09Å; E354-Y388 PolarHBondContact OE1-OH 3.47Å; A357-Y388 HydrophobicContact CB-CD2 3.77Å; A357-Y388 HydrophobicContact CB-CG 4.19Å; N358-Y388 WeakPolarHBondContact OD1-CE2 3.26Å; Y384-Y388 AromaticContact CD1-CE1 3.99Å; Y384-Y388 HydrophobicContact CD1-CE1 3.99Å; Y384-Y388 HydrophobicContact CD1-CE2 4.44Å; Y384-Y388 AromaticContact CD1-CZ 3.84Å; Y384-Y388 WeakPolarHBondContact O-CB 3.49Å; Y384-Y388 PolarHBondContact O-N 2.9Å; T386-Y388 PolarHBondContact O-N 3.45Å; Y388-F446 AromaticContact CD2-CD2 3.75Å; Y388-F446 HydrophobicContact CD2-CD2 3.75Å; Y388-F446 AromaticContact CD2-CE2 3.89Å; Y388-F446 HydrophobicContact CD2-CE2 3.89Å; Y388-F446 HydrophobicContact CE2-CD2 4.33Å; Y388-F446 HydrophobicContact CE2-CE2 4.18Å; Y388-F446 AromaticContact CG-CD2 4Å; Y388-F446 HydrophobicContact CG-CD2 4Å; Y388-F446 WeakPolarHBondContact O-CB 3.46Å
389T98.5Very high97.8Very high1 Ų117 Ų171%0.0069%0.088CC..Hα-helixtrans-106-10.2-174.877.10000114.8A360 A361 H365 V367 L385 T386 G391 N471 G472A360-T389 HydrophobicContact CB-CG2 3.97Å; A361-T389 HydrophobicContact CB-CG2 4.29Å; H365-T389 VanDerWaalsContact O-CB 3.32Å; H365-T389 WeakPolarHBondContact O-CB 3.18Å; H365-T389 WeakPolarHBondContact O-CG2 3.46Å; V367-T389 HydrophobicContact CG2-CG2 4.48Å; V367-T389 PolarHBondContact N-OG1 2.78Å; L385-T389 VanDerWaalsContact O-CB 3.29Å; L385-T389 WeakPolarHBondContact O-CB 3.44Å; L385-T389 WeakPolarHBondContact O-CG2 2.98Å; L385-T389 PolarHBondContact O-N 2.81Å; L385-T389 PolarHBondContact O-OG1 3.14Å; T386-T389 PolarHBondContact O-N 2.92Å; T389-G391 PolarHBondContact O-N 2.65Å; T389-G391 PolarHBondContact OG1-N 3.17Å; T389-N471 VanDerWaalsContact CA-ND2 3.29Å; T389-N471 WeakPolarHBondContact CA-ND2 3.4Å; T389-N471 WeakPolarHBondContact CB-ND2 3.42Å; T389-N471 WeakPolarHBondContact CG2-ND2 3.45Å; T389-N471 WeakPolarHBondContact O-CB 3.47Å; T389-G472 PolarHBondContact O-N 3.17Å
390G97.8Very high97.6Very high2 Ų218.5 Ų18.52%0.02110%0.1CC..  trans70.413.8-174.600000115.1T386 G472 K637T386-G390 VanDerWaalsContact O-CA 3.29Å; T386-G390 WeakPolarHBondContact O-CA 3.18Å; T386-G390 PolarHBondContact O-N 3.09Å; G390-G472 WeakPolarHBondContact CA-O 3.36Å; G390-K637 PolarHBondContact O-NZ 3.29Å
391G98Very high97.5Very high0 Ų019.1 Ų19.10%011%0.106CC..  trans-62163.4171.700000113V367 D368 T386 T389 H633V367-G391 WeakPolarHBondContact O-CA 3.45Å; D368-G391 WeakPolarHBondContact OD1-CA 3.15Å; T386-G391 WeakPolarHBondContact CB-O 3.41Å; T386-G391 PolarHBondContact O-N 3.42Å; T389-G391 PolarHBondContact O-N 2.65Å; T389-G391 PolarHBondContact OG1-N 3.17Å; G391-H633 PolarHBondContact O-CE1 3.12Å; G391-H633 PolarHBondContact O-NE2 2.68Å
392H97.7Very high97.2Very high5 Ų524.6 Ų24.62%0.02314%0.136CC..  trans-77.2131.8176.3-57.5-66.4000110.2R307 D368 I369 T386 I394 F728R307-H392 PolarHBondContact NH2-CD2 3.31Å; R307-H392 PolarHBondContact NH2-NE2 2.94Å; D368-H392 CarbonylContact C-O 3.57Å; D368-H392 WeakPolarHBondContact CA-O 3.4Å; D368-H392 IonicContact OD1-CD2 3.62Å; D368-H392 PolarHBondContact OD1-CD2 2.76Å; D368-H392 VanDerWaalsContact OD1-CD2 3.24Å; D368-H392 IonicContact OD1-CG 2.69Å; D368-H392 PolarHBondContact OD1-N 3.31Å; I369-H392 PolarHBondContact N-O 2.84Å; T386-H392 WeakPolarHBondContact CG2-O 3.36Å; H392-I394 HydrophobicContact CB-CD1 4.24Å; H392-I394 HydrophobicContact CB-CG1 4.16Å; H392-F728 HydrophobicContact CB-CZ 4.46Å; H392-F728 AromaticContact CE1-CE1 3.61Å; H392-F728 AromaticContact CE1-CZ 3.58Å; H392-F728 AromaticContact CG-CZ 3.83Å; H392-F728 AromaticContact ND1-CE1 3.18Å; H392-F728 WeakPolarHBondContact ND1-CE1 3.46Å; H392-F728 AromaticContact ND1-CZ 3.32Å; H392-F728 VanDerWaalsContact ND1-CZ 3.32Å; H392-F728 WeakPolarHBondContact ND1-CZ 3.31Å
393M98.2Very high96.9Very high2 Ų227.7 Ų27.71%0.0115%0.152CC..EExtended strand (participates in β ladder)trans-103.9104.8162.3-170.8-175.4-60.100107.9L379 R383 T386 Y630 H633L379-M393 HydrophobicContact CB-SD 4.44Å; L379-M393 HydrophobicContact CD1-CG 4.34Å; L379-M393 HydrophobicContact CD1-SD 4.42Å; L379-M393 HydrophobicContact CD2-CG 4.07Å; L379-M393 HydrophobicContact CD2-SD 4.47Å; R383-M393 HydrophobicContact CB-CE 3.71Å; T386-M393 HydrophobicContact CG2-CB 4.07Å; T386-M393 WeakPolarHBondContact OG1-CE 3.48Å; M393-Y630 HydrophobicContact CG-CD2 4.39Å; M393-Y630 WeakPolarHBondContact O-CD2 3.47Å; M393-Y630 VanDerWaalsContact O-CE2 3.23Å; M393-Y630 WeakPolarHBondContact O-CE2 3.21Å; M393-Y630 VanDerWaalsContact SD-CA 3.56Å; M393-H633 HydrophobicContact CE-CB 3.99Å; M393-H633 HydrophobicContact SD-CB 4.2Å
394I97.8Very high96.8Very high5 Ų527 Ų273%0.02615%0.149CC..EExtended strand (participates in β ladder)trans-109.1128.4177.7-54.4-53.6000108.5I369 F370 S371 H392 F404 T407 F728 P729I369-I394 PolarHBondContact O-N 3.16Å; F370-I394 HydrophobicContact CD1-CB 3.82Å; F370-I394 HydrophobicContact CD1-CG1 3.69Å; F370-I394 HydrophobicContact CD1-CG2 4.37Å; F370-I394 HydrophobicContact CE1-CB 4.32Å; F370-I394 HydrophobicContact CE1-CG1 3.65Å; S371-I394 PolarHBondContact N-O 2.9Å; H392-I394 HydrophobicContact CB-CD1 4.24Å; H392-I394 HydrophobicContact CB-CG1 4.16Å; I394-F404 HydrophobicContact CG2-CD2 4.2Å; I394-F404 HydrophobicContact CG2-CE2 4.4Å; I394-T407 HydrophobicContact CD1-CG2 3.68Å; I394-T407 HydrophobicContact CG1-CG2 4.12Å; I394-T407 HydrophobicContact CG2-CG2 3.95Å; I394-F728 HydrophobicContact CD1-CE1 4.2Å; I394-F728 HydrophobicContact CD1-CZ 4Å; I394-P729 HydrophobicContact CD1-CB 4.22Å; I394-P729 HydrophobicContact CD1-CG 3.65Å
395M96.9Very high96.7Very high51 Ų5127.2 Ų27.225%0.25115%0.151SC..EExtended strand (participates in β ladder)trans-121.7132.3176.7-170.7-178.377.800108.7S371 L379 E627 Y630S371-M395 CarbonylContact O-C 3.51Å; S371-M395 WeakPolarHBondContact O-CA 3.29Å; L379-M395 HydrophobicContact CD1-CB 3.83Å; L379-M395 HydrophobicContact CD1-CG 3.8Å; L379-M395 HydrophobicContact CD1-SD 3.93Å; M395-E627 HydrophobicContact CE-CB 4.26Å; M395-E627 HydrophobicContact CE-CG 3.37Å; M395-E627 HydrophobicContact SD-CG 3.98Å; M395-Y630 HydrophobicContact CB-CD2 4.11Å; M395-Y630 HydrophobicContact CB-CE2 4.48Å; M395-Y630 HydrophobicContact CB-CG 4.12Å; M395-Y630 HydrophobicContact CE-CD1 4.03Å; M395-Y630 HydrophobicContact CE-CG 4.44Å
396G95.3Very high96.5Very high12 Ų1231.3 Ų31.312%0.12417%0.17CC..EExtended strand (participates in β ladder)trans-151.3175.1173.500000111.5S371 C372 S373S371-G396 PolarHBondContact O-N 2.93Å; C372-G396 WeakPolarHBondContact CA-O 3.28Å; S373-G396 PolarHBondContact N-O 3.31Å; S373-G396 VanDerWaalsContact N-O 3.09Å
397D94.6Very high96.4Very high112 Ų11231.4 Ų31.460%0.59917%0.171SC*.SBendtrans-87.3-29.2-178.5-59.6-26.3000111.9L374L374-D397 HydrophobicContact CD2-CB 3.99Å
398S96.7Very high96.4Very high23 Ų2330.2 Ų30.216%0.16117%0.165CC..  trans-155.8140.7-170.6157.50000111.1E141 A400 S401E141-S398 WeakPolarHBondContact OE1-CB 3.22Å; E141-S398 PolarHBondContact OE1-OG 3.2Å; E141-S398 WeakPolarHBondContact OE2-CA 3.42Å; E141-S398 WeakPolarHBondContact OE2-CB 3.46Å; E141-S398 PolarHBondContact OE2-OG 2.65Å; S398-A400 WeakPolarHBondContact OG-CB 3.38Å; S398-A400 PolarHBondContact OG-N 3.49Å; S398-S401 WeakPolarHBondContact O-CB 3.23Å; S398-S401 PolarHBondContact O-N 3.12Å; S398-S401 PolarHBondContact O-OG 3.06Å; S398-S401 PolarHBondContact OG-N 3.2Å
399F97.3Very high96.3Very high2 Ų233.5 Ų33.51%0.00918%0.177CC..THydrogen-bonded Turntrans-70.6-22171.7-68.5-68.5000112.1I137 E141 L145 F311 C372 S401 F404I137-F399 HydrophobicContact CD1-CD2 4.12Å; I137-F399 HydrophobicContact CD1-CE2 3.44Å; I137-F399 VanDerWaalsContact CD1-CE2 3.44Å; I137-F399 HydrophobicContact CD1-CZ 4.1Å; I137-F399 HydrophobicContact CG1-CE2 4.26Å; E141-F399 PolarHBondContact OE2-N 2.89Å; L145-F399 HydrophobicContact CB-CB 4.16Å; L145-F399 HydrophobicContact CB-CD1 4.41Å; L145-F399 HydrophobicContact CB-CD2 4.3Å; L145-F399 HydrophobicContact CB-CG 4.05Å; L145-F399 HydrophobicContact CD1-CD1 3.8Å; L145-F399 HydrophobicContact CD1-CE1 3.91Å; L145-F399 HydrophobicContact CD1-CG 4.3Å; L145-F399 HydrophobicContact CD1-CZ 4.49Å; L145-F399 HydrophobicContact CD2-CD2 4.48Å; L145-F399 HydrophobicContact CD2-CE1 4.5Å; L145-F399 HydrophobicContact CD2-CE2 4.27Å; L145-F399 HydrophobicContact CD2-CZ 4.28Å; F311-F399 HydrophobicContact CB-CZ 4.47Å; F311-F399 HydrophobicContact CD1-CE1 4.3Å; C372-F399 HydrophobicContact CB-CD1 3.82Å; C372-F399 HydrophobicContact CB-CD2 3.66Å; C372-F399 HydrophobicContact CB-CE1 3.77Å; C372-F399 HydrophobicContact CB-CE2 3.59Å; C372-F399 HydrophobicContact CB-CG 3.77Å; C372-F399 HydrophobicContact CB-CZ 3.66Å; C372-F399 VanDerWaalsContact SG-CD1 3.59Å; F399-S401 VanDerWaalsContact C-N 3.29Å; F399-F404 HydrophobicContact CB-CD1 4.45Å; F399-F404 HydrophobicContact CB-CE1 4.5Å; F399-F404 HydrophobicContact CD1-CD1 4.06Å; F399-F404 HydrophobicContact CD1-CD2 4.47Å; F399-F404 AromaticContact CD1-CE1 3.58Å; F399-F404 HydrophobicContact CD1-CE1 3.58Å; F399-F404 HydrophobicContact CD1-CE2 4.02Å; F399-F404 HydrophobicContact CD1-CG 4.49Å; F399-F404 AromaticContact CD1-CZ 3.55Å; F399-F404 HydrophobicContact CD1-CZ 3.55Å; F399-F404 HydrophobicContact CE1-CE1 4.35Å; F399-F404 HydrophobicContact CE1-CE2 4.12Å; F399-F404 AromaticContact CE1-CZ 3.86Å; F399-F404 HydrophobicContact CE1-CZ 3.86Å; F399-F404 WeakPolarHBondContact O-CD1 3.23Å
400A95.8Very high96.1Very high30 Ų3035.4 Ų35.425%0.24818%0.184CC..THydrogen-bonded Turntrans-76-16.7173.300000113E141 H144 S398 N402E141-A400 PolarHBondContact OE2-N 3.44Å; H144-A400 HydrophobicContact CB-CB 3.98Å; H144-A400 VanDerWaalsContact CG-CB 3.49Å; S398-A400 WeakPolarHBondContact OG-CB 3.38Å; S398-A400 PolarHBondContact OG-N 3.49Å; A400-N402 PolarHBondContact O-N 3.24Å
401S94.9Very high96Very high34 Ų3435.7 Ų35.724%0.23819%0.185CC..SBendtrans-65.6134.8-176.773.30000112.2S398 F399 L403 F404 Q405S398-S401 WeakPolarHBondContact O-CB 3.23Å; S398-S401 PolarHBondContact O-N 3.12Å; S398-S401 PolarHBondContact O-OG 3.06Å; S398-S401 PolarHBondContact OG-N 3.2Å; F399-S401 VanDerWaalsContact C-N 3.29Å; S401-L403 PolarHBondContact O-N 3.02Å; S401-L403 VanDerWaalsContact O-N 3.16Å; S401-F404 PolarHBondContact O-N 3.21Å; S401-F404 VanDerWaalsContact O-N 3.1Å; S401-F404 VanDerWaalsContact OG-CB 3.28Å; S401-F404 WeakPolarHBondContact OG-CB 3.37Å; S401-F404 PolarHBondContact OG-N 2.88Å; S401-Q405 WeakPolarHBondContact O-CG 3.29Å; S401-Q405 PolarHBondContact O-N 3.43Å
402N92.3Very high95.9Very high115 Ų11536.1 Ų36.162%0.61519%0.187SC*.Hα-helixtrans-54.9-34.4173.2-78.3-40.5000112A400 Q405 Q406A400-N402 PolarHBondContact O-N 3.24Å; N402-Q405 PolarHBondContact O-N 3.22Å; N402-Q406 VanDerWaalsContact O-CB 3.32Å; N402-Q406 WeakPolarHBondContact O-CB 3.28Å; N402-Q406 VanDerWaalsContact O-CG 3.24Å; N402-Q406 WeakPolarHBondContact O-CG 3.37Å; N402-Q406 PolarHBondContact O-N 3.1Å
403L93.2Very high95.7Very high66 Ų6639.7 Ų39.735%0.34621%0.206SC..Hα-helixtrans-59-50.1176.8-173.269.3000111.7S401 T407 V730 S731S401-L403 PolarHBondContact O-N 3.02Å; S401-L403 VanDerWaalsContact O-N 3.16Å; L403-T407 VanDerWaalsContact O-CB 3.31Å; L403-T407 WeakPolarHBondContact O-CB 3.33Å; L403-T407 PolarHBondContact O-N 3.42Å; L403-T407 VanDerWaalsContact O-N 3.1Å; L403-T407 PolarHBondContact O-OG1 3.17Å; L403-V730 HydrophobicContact CD1-CB 3.9Å; L403-V730 HydrophobicContact CD1-CG1 3.81Å; L403-V730 VanDerWaalsContact CD1-O 3.26Å; L403-V730 WeakPolarHBondContact CD1-O 3.09Å; L403-S731 WeakPolarHBondContact CD1-O 3.22Å
404F96.2Very high95.5Very high4 Ų444.3 Ų44.32%0.01823%0.226CC..Hα-helixtrans-63.8-51.5176.4172.7-97.2000111.1F311 F370 C372 I394 F399 S401 Q406 T407 Y408F311-F404 HydrophobicContact CE1-CZ 4.5Å; F370-F404 HydrophobicContact CB-CE2 3.99Å; F370-F404 HydrophobicContact CB-CZ 4.29Å; F370-F404 HydrophobicContact CD1-CE2 4.03Å; F370-F404 HydrophobicContact CD1-CZ 4.44Å; F370-F404 HydrophobicContact CG-CE2 4.42Å; C372-F404 WeakPolarHBondContact SG-CD2 3.34Å; I394-F404 HydrophobicContact CG2-CD2 4.2Å; I394-F404 HydrophobicContact CG2-CE2 4.4Å; F399-F404 HydrophobicContact CB-CD1 4.45Å; F399-F404 HydrophobicContact CB-CE1 4.5Å; F399-F404 HydrophobicContact CD1-CD1 4.06Å; F399-F404 HydrophobicContact CD1-CD2 4.47Å; F399-F404 AromaticContact CD1-CE1 3.58Å; F399-F404 HydrophobicContact CD1-CE1 3.58Å; F399-F404 HydrophobicContact CD1-CE2 4.02Å; F399-F404 HydrophobicContact CD1-CG 4.49Å; F399-F404 AromaticContact CD1-CZ 3.55Å; F399-F404 HydrophobicContact CD1-CZ 3.55Å; F399-F404 HydrophobicContact CE1-CE1 4.35Å; F399-F404 HydrophobicContact CE1-CE2 4.12Å; F399-F404 AromaticContact CE1-CZ 3.86Å; F399-F404 HydrophobicContact CE1-CZ 3.86Å; F399-F404 WeakPolarHBondContact O-CD1 3.23Å; S401-F404 PolarHBondContact O-N 3.21Å; S401-F404 VanDerWaalsContact O-N 3.1Å; S401-F404 VanDerWaalsContact OG-CB 3.28Å; S401-F404 WeakPolarHBondContact OG-CB 3.37Å; S401-F404 PolarHBondContact OG-N 2.88Å; F404-Q406 VanDerWaalsContact C-N 3.34Å; F404-Q406 PolarHBondContact O-N 3.12Å; F404-T407 WeakPolarHBondContact O-CB 3.49Å; F404-T407 PolarHBondContact O-N 3.3Å; F404-T407 VanDerWaalsContact O-N 3.12Å; F404-Y408 HydrophobicContact CE1-CG 4.44Å; F404-Y408 HydrophobicContact CZ-CD2 4.44Å; F404-Y408 HydrophobicContact CZ-CG 4.24Å; F404-Y408 WeakPolarHBondContact O-CB 3.45Å; F404-Y408 PolarHBondContact O-N 3.15Å
405Q95.8Very high94.9Very high31 Ų3145.2 Ų45.215%0.14523%0.231CC..Hα-helixtrans-60-42.6-175.3-68.2-177.4-5.200112.3S401 N402 Y408 R409S401-Q405 WeakPolarHBondContact O-CG 3.29Å; S401-Q405 PolarHBondContact O-N 3.43Å; N402-Q405 PolarHBondContact O-N 3.22Å; Q405-Y408 PolarHBondContact O-N 2.92Å; Q405-R409 WeakPolarHBondContact O-CB 3.35Å; Q405-R409 WeakPolarHBondContact O-CG 3.44Å; Q405-R409 PolarHBondContact O-N 3.24Å
406Q95Very high94.4Very high86 Ų8647.4 Ų47.440%0.40226%0.257SS..Hα-helixtrans-67.3-41.5176-69.9-17817.100111.9N402 F404 R409 R410 V730N402-Q406 VanDerWaalsContact O-CB 3.32Å; N402-Q406 WeakPolarHBondContact O-CB 3.28Å; N402-Q406 VanDerWaalsContact O-CG 3.24Å; N402-Q406 WeakPolarHBondContact O-CG 3.37Å; N402-Q406 PolarHBondContact O-N 3.1Å; F404-Q406 VanDerWaalsContact C-N 3.34Å; F404-Q406 PolarHBondContact O-N 3.12Å; Q406-R409 PolarHBondContact O-N 3.48Å; Q406-R410 WeakPolarHBondContact O-CG 3.35Å; Q406-R410 PolarHBondContact O-N 3.41Å; Q406-V730 HydrophobicContact CB-CG2 3.89Å
407T96.9Very high93.8Very high3 Ų350.9 Ų50.92%0.01828%0.28CS..Hα-helixtrans-59.8-47.5174.9-64.50000111.2I394 L403 F404 R410 F728 P729 V730I394-T407 HydrophobicContact CD1-CG2 3.68Å; I394-T407 HydrophobicContact CG1-CG2 4.12Å; I394-T407 HydrophobicContact CG2-CG2 3.95Å; L403-T407 VanDerWaalsContact O-CB 3.31Å; L403-T407 WeakPolarHBondContact O-CB 3.33Å; L403-T407 PolarHBondContact O-N 3.42Å; L403-T407 VanDerWaalsContact O-N 3.1Å; L403-T407 PolarHBondContact O-OG1 3.17Å; F404-T407 WeakPolarHBondContact O-CB 3.49Å; F404-T407 PolarHBondContact O-N 3.3Å; F404-T407 VanDerWaalsContact O-N 3.12Å; T407-R410 PolarHBondContact O-N 2.92Å; T407-F728 HydrophobicContact CG2-CE2 4.22Å; T407-P729 HydrophobicContact CG2-CB 3.85Å; T407-V730 WeakPolarHBondContact OG1-CB 3.38Å; T407-V730 WeakPolarHBondContact OG1-CG2 3.45Å; T407-V730 PolarHBondContact OG1-N 2.96Å
408Y97.4Very high93.5Very high3 Ų347.7 Ų47.71%0.01227%0.273CS..Hα-helixtrans-63.2-44.5-179.4-178.2-116.2000111.8S148 S152 M309 F311 F370 F404 Q405 R410 V411 F412S148-Y408 WeakPolarHBondContact O-CE1 3.42Å; S152-Y408 WeakPolarHBondContact CB-OH 3.39Å; S152-Y408 PolarHBondContact OG-OH 2.95Å; M309-Y408 HydrophobicContact CE-CE2 3.68Å; F311-Y408 HydrophobicContact CE1-CD2 4.16Å; F311-Y408 AromaticContact CE1-CE2 3.6Å; F311-Y408 HydrophobicContact CE1-CE2 3.6Å; F311-Y408 AromaticContact CE1-CZ 3.9Å; F311-Y408 AromaticContact CZ-CE2 3.56Å; F311-Y408 HydrophobicContact CZ-CE2 3.56Å; F311-Y408 AromaticContact CZ-CZ 3.69Å; F311-Y408 WeakPolarHBondContact CZ-OH 3.36Å; F370-Y408 AromaticContact CD1-CD2 3.89Å; F370-Y408 HydrophobicContact CD1-CD2 3.89Å; F370-Y408 HydrophobicContact CD1-CE2 4.49Å; F370-Y408 AromaticContact CE1-CD2 3.59Å; F370-Y408 HydrophobicContact CE1-CD2 3.59Å; F370-Y408 HydrophobicContact CE1-CE2 4.14Å; F370-Y408 HydrophobicContact CE2-CD2 4.42Å; F370-Y408 HydrophobicContact CE2-CE2 4.16Å; F370-Y408 HydrophobicContact CG-CD2 4.44Å; F370-Y408 AromaticContact CZ-CD2 3.88Å; F370-Y408 HydrophobicContact CZ-CD2 3.88Å; F370-Y408 AromaticContact CZ-CE2 3.97Å; F370-Y408 HydrophobicContact CZ-CE2 3.97Å; F404-Y408 HydrophobicContact CE1-CG 4.44Å; F404-Y408 HydrophobicContact CZ-CD2 4.44Å; F404-Y408 HydrophobicContact CZ-CG 4.24Å; F404-Y408 WeakPolarHBondContact O-CB 3.45Å; F404-Y408 PolarHBondContact O-N 3.15Å; Q405-Y408 PolarHBondContact O-N 2.92Å; Y408-R410 PolarHBondContact O-N 2.92Å; Y408-V411 VanDerWaalsContact O-CB 3.29Å; Y408-V411 WeakPolarHBondContact O-CB 3.46Å; Y408-V411 WeakPolarHBondContact O-CG2 3.44Å; Y408-V411 PolarHBondContact O-N 3.44Å; Y408-V411 VanDerWaalsContact O-N 3.14Å; Y408-F412 HydrophobicContact CE1-CE2 4.14Å; Y408-F412 HydrophobicContact CE2-CE2 4.04Å; Y408-F412 HydrophobicContact CE2-CZ 4.5Å; Y408-F412 AromaticContact CZ-CE2 3.76Å
409R95.6Very high93.2Very high117 Ų11747.4 Ų47.444%0.44227%0.272SS..Hα-helixtrans-56.6-38.2175.3-73.3171-171.8-173.73.5112.3L151 F155 Q405 Q406 V411 F412L151-R409 HydrophobicContact CD2-CG 4.38Å; L151-R409 VanDerWaalsContact CD2-CZ 3.49Å; L151-R409 VanDerWaalsContact CD2-NH2 3.34Å; F155-R409 HydrophobicContact CE2-CB 4.49Å; F155-R409 HydrophobicContact CE2-CG 4.13Å; F155-R409 HydrophobicContact CZ-CG 4.44Å; Q405-R409 WeakPolarHBondContact O-CB 3.35Å; Q405-R409 WeakPolarHBondContact O-CG 3.44Å; Q405-R409 PolarHBondContact O-N 3.24Å; Q406-R409 PolarHBondContact O-N 3.48Å; R409-V411 PolarHBondContact O-N 3.34Å; R409-F412 PolarHBondContact O-N 2.71Å; R409-F412 VanDerWaalsContact O-N 3.1Å
410R94.9Very high93Very high41 Ų4147.8 Ų47.816%0.15527%0.273CS..Hα-helixtrans-67.3-18.7-179.2-72.6177.2-168.9-169.53.7114.6Q406 T407 Y408 F412 N413 L724 K725 R727 F728Q406-R410 WeakPolarHBondContact O-CG 3.35Å; Q406-R410 PolarHBondContact O-N 3.41Å; T407-R410 PolarHBondContact O-N 2.92Å; Y408-R410 PolarHBondContact O-N 2.92Å; R410-F412 PolarHBondContact O-N 3.47Å; R410-F412 VanDerWaalsContact O-N 3.16Å; R410-N413 WeakPolarHBondContact O-CB 3.26Å; R410-N413 VanDerWaalsContact O-CG 3.32Å; R410-N413 PolarHBondContact O-N 3.31Å; R410-N413 VanDerWaalsContact O-N 3.14Å; R410-L724 PolarHBondContact NH1-O 3.07Å; R410-L724 PolarHBondContact NH2-O 3.43Å; R410-K725 PolarHBondContact NH1-O 3.47Å; R410-R727 PolarHBondContact NH1-O 3.02Å; R410-F728 HydrophobicContact CB-CD2 3.84Å; R410-F728 HydrophobicContact CB-CE2 4.18Å
411V95.8Very high92.8Very high8 Ų848.2 Ų48.25%0.04827%0.271CS..THydrogen-bonded Turntrans-57.5-28.1171.5177.80000111.2M309 F370 Y408 R409 M422 F728M309-V411 HydrophobicContact CE-CG1 4.18Å; F370-V411 HydrophobicContact CE1-CG2 4.07Å; F370-V411 HydrophobicContact CZ-CG2 4.04Å; Y408-V411 VanDerWaalsContact O-CB 3.29Å; Y408-V411 WeakPolarHBondContact O-CB 3.46Å; Y408-V411 WeakPolarHBondContact O-CG2 3.44Å; Y408-V411 PolarHBondContact O-N 3.44Å; Y408-V411 VanDerWaalsContact O-N 3.14Å; R409-V411 PolarHBondContact O-N 3.34Å; V411-M422 VanDerWaalsContact O-CE 3.27Å; V411-M422 WeakPolarHBondContact O-CE 3.23Å; V411-F728 HydrophobicContact CG2-CE2 3.96Å; V411-F728 HydrophobicContact CG2-CZ 4.05Å
412F95.7Very high92.7Very high8 Ų846.7 Ų46.74%0.03526%0.26CS..THydrogen-bonded Turntrans-102.517.4-177.3-54.9-82.1000113.4F129 S152 F155 L156 M309 Y408 R409 R410 F420F129-F412 HydrophobicContact CE1-CE1 4.22Å; S152-F412 VanDerWaalsContact CB-CE2 3.48Å; F155-F412 HydrophobicContact CB-CB 3.98Å; F155-F412 HydrophobicContact CB-CG 4.28Å; F155-F412 HydrophobicContact CD2-CB 3.87Å; F155-F412 AromaticContact CD2-CD2 3.98Å; F155-F412 HydrophobicContact CD2-CD2 3.98Å; F155-F412 HydrophobicContact CD2-CG 4.02Å; F155-F412 HydrophobicContact CG-CB 4.29Å; L156-F412 HydrophobicContact CD2-CD1 4.1Å; L156-F412 HydrophobicContact CD2-CE1 3.82Å; M309-F412 HydrophobicContact CE-CE2 4.36Å; M309-F412 HydrophobicContact CE-CZ 3.79Å; M309-F412 HydrophobicContact SD-CZ 4.17Å; Y408-F412 HydrophobicContact CE1-CE2 4.14Å; Y408-F412 HydrophobicContact CE2-CE2 4.04Å; Y408-F412 HydrophobicContact CE2-CZ 4.5Å; Y408-F412 AromaticContact CZ-CE2 3.76Å; R409-F412 PolarHBondContact O-N 2.71Å; R409-F412 VanDerWaalsContact O-N 3.1Å; R410-F412 PolarHBondContact O-N 3.47Å; R410-F412 VanDerWaalsContact O-N 3.16Å; F412-F420 HydrophobicContact CB-CD1 4.3Å; F412-F420 HydrophobicContact CB-CE1 3.82Å; F412-F420 HydrophobicContact CD1-CE1 4.09Å; F412-F420 HydrophobicContact CD1-CZ 4.06Å; F412-F420 HydrophobicContact CG-CE1 4.48Å; F412-F420 VanDerWaalsContact O-CD1 3.3Å; F412-F420 WeakPolarHBondContact O-CD1 3.28Å; F412-F420 WeakPolarHBondContact O-CE1 3.16Å
413N93.8Very high92.8Very high80 Ų8041.2 Ų41.243%0.42823%0.231SC..  trans-57.3142.9174.1-80.2-4.6000111.1R410 F420 L421R410-N413 WeakPolarHBondContact O-CB 3.26Å; R410-N413 VanDerWaalsContact O-CG 3.32Å; R410-N413 PolarHBondContact O-N 3.31Å; R410-N413 VanDerWaalsContact O-N 3.14Å; N413-F420 CarbonylContact O-C 3.6Å; N413-F420 WeakPolarHBondContact O-CA 3.39Å; N413-L421 HydrophobicContact CB-CD1 4.18Å; N413-L421 PolarHBondContact O-N 2.7Å
414K92.6Very high92.9Very high99 Ų9938.1 Ų38.143%0.4322%0.215SC..BIsolated β-bridgetrans-116.4148.5-175.3-66.3172.5179.4-179.80111.1F155 G418 S419 F420F155-K414 WeakPolarHBondContact O-CE 3.22Å; F155-K414 PolarHBondContact O-NZ 3.46Å; K414-G418 WeakPolarHBondContact CD-O 3.26Å; K414-S419 CarbonylContact C-O 3.58Å; K414-S419 WeakPolarHBondContact CA-O 3.32Å; K414-F420 HydrophobicContact CD-CE1 4.47Å; K414-F420 VanDerWaalsContact CE-CE1 3.41Å; K414-F420 HydrophobicContact CG-CD1 3.8Å; K414-F420 HydrophobicContact CG-CE1 4.16Å
415D86.9Confident92.8Very high24 Ų2438.8 Ų38.813%0.12822%0.221CC..  trans-73.2176.4168.258.726.4000111.4S417 G418 S419 L421 R515D415-S417 VanDerWaalsContact CG-OG 3.24Å; D415-S417 PolarHBondContact O-N 3.25Å; D415-S417 VanDerWaalsContact OD1-CA 3.26Å; D415-S417 WeakPolarHBondContact OD1-CA 3.29Å; D415-S417 VanDerWaalsContact OD1-CB 3.31Å; D415-S417 WeakPolarHBondContact OD1-CB 3.3Å; D415-S417 PolarHBondContact OD1-N 2.92Å; D415-S417 PolarHBondContact OD1-OG 3.41Å; D415-S417 PolarHBondContact OD2-OG 3.27Å; D415-G418 PolarHBondContact O-N 2.94Å; D415-G418 PolarHBondContact OD1-N 3.44Å; D415-G418 VanDerWaalsContact OD1-N 3.1Å; D415-S419 PolarHBondContact N-O 3.3Å; D415-S419 PolarHBondContact OD1-N 3.06Å; D415-L421 HydrophobicContact CB-CD2 3.46Å; D415-L421 VanDerWaalsContact CB-CD2 3.46Å; D415-R515 IonicContact OD2-NH1 3.91Å
416A84.8Confident92.8Very high97 Ų9737.3 Ų37.380%0.80221%0.214SC*.THydrogen-bonded Turntrans-57.3-17173.500000114.3
417S84.5Confident92.8Very high85 Ų8535.8 Ų35.859%0.59421%0.207SC*.THydrogen-bonded Turntrans-92.40.2175.580.70000113.5D415 S419D415-S417 VanDerWaalsContact CG-OG 3.24Å; D415-S417 PolarHBondContact O-N 3.25Å; D415-S417 VanDerWaalsContact OD1-CA 3.26Å; D415-S417 WeakPolarHBondContact OD1-CA 3.29Å; D415-S417 VanDerWaalsContact OD1-CB 3.31Å; D415-S417 WeakPolarHBondContact OD1-CB 3.3Å; D415-S417 PolarHBondContact OD1-N 2.92Å; D415-S417 PolarHBondContact OD1-OG 3.41Å; D415-S417 PolarHBondContact OD2-OG 3.27Å; S417-S419 VanDerWaalsContact C-N 3.3Å; S417-S419 PolarHBondContact OG-OG 2.81Å
418G88.5Confident92.9Very high45 Ų4535.7 Ų35.746%0.46421%0.206SC..SBendtrans798.3-177.200000114.5K414 D415K414-G418 WeakPolarHBondContact CD-O 3.26Å; D415-G418 PolarHBondContact O-N 2.94Å; D415-G418 PolarHBondContact OD1-N 3.44Å; D415-G418 VanDerWaalsContact OD1-N 3.1Å
419S89.3Confident92.9Very high18 Ų1836 Ų3613%0.12621%0.208CC..  trans-90146176.7-59.40000110.4K414 D415 S417K414-S419 CarbonylContact C-O 3.58Å; K414-S419 WeakPolarHBondContact CA-O 3.32Å; D415-S419 PolarHBondContact N-O 3.3Å; D415-S419 PolarHBondContact OD1-N 3.06Å; S417-S419 VanDerWaalsContact C-N 3.3Å; S417-S419 PolarHBondContact OG-OG 2.81Å
420F93Very high93Very high9 Ų930.4 Ų30.44%0.03919%0.187CC..BIsolated β-bridgetrans-60.9142.3177.5-60.3-55.1000112.8F129 F155 L156 F412 N413 K414 M422 A516F129-F420 HydrophobicContact CE2-CE2 4.24Å; F129-F420 HydrophobicContact CZ-CD2 4.2Å; F129-F420 AromaticContact CZ-CE2 3.95Å; F129-F420 HydrophobicContact CZ-CE2 3.95Å; F155-F420 WeakPolarHBondContact O-CZ 3.09Å; L156-F420 HydrophobicContact CD2-CE2 4.14Å; L156-F420 HydrophobicContact CD2-CZ 4Å; F412-F420 HydrophobicContact CB-CD1 4.3Å; F412-F420 HydrophobicContact CB-CE1 3.82Å; F412-F420 HydrophobicContact CD1-CE1 4.09Å; F412-F420 HydrophobicContact CD1-CZ 4.06Å; F412-F420 HydrophobicContact CG-CE1 4.48Å; F412-F420 VanDerWaalsContact O-CD1 3.3Å; F412-F420 WeakPolarHBondContact O-CD1 3.28Å; F412-F420 WeakPolarHBondContact O-CE1 3.16Å; N413-F420 CarbonylContact O-C 3.6Å; N413-F420 WeakPolarHBondContact O-CA 3.39Å; K414-F420 HydrophobicContact CD-CE1 4.47Å; K414-F420 VanDerWaalsContact CE-CE1 3.41Å; K414-F420 HydrophobicContact CG-CD1 3.8Å; K414-F420 HydrophobicContact CG-CE1 4.16Å; F420-M422 HydrophobicContact CB-CE 3.58Å; F420-M422 HydrophobicContact CB-CG 3.94Å; F420-M422 HydrophobicContact CB-SD 4.17Å; F420-M422 HydrophobicContact CD2-CE 4.4Å; F420-M422 HydrophobicContact CG-CE 4.05Å; F420-M422 PolarHBondContact O-N 3.18Å; F420-A516 HydrophobicContact CB-CB 3.65Å; F420-A516 HydrophobicContact CD2-CB 4.21Å; F420-A516 HydrophobicContact CG-CB 4.39Å; F420-A516 WeakPolarHBondContact O-CB 3.42Å
421L92.2Very high93.2Very high39 Ų3928.9 Ų28.920%0.20418%0.181CC..SBendtrans-75.162.9178.2-67.1-174.4000112.6E47 N413 D415 P475E47-L421 WeakPolarHBondContact OE1-CD2 3.24Å; N413-L421 HydrophobicContact CB-CD1 4.18Å; N413-L421 PolarHBondContact O-N 2.7Å; D415-L421 HydrophobicContact CB-CD2 3.46Å; D415-L421 VanDerWaalsContact CB-CD2 3.46Å; L421-P475 HydrophobicContact CB-CG 4.22Å; L421-P475 WeakPolarHBondContact O-CD 3.41Å
422M93Very high93.3Very high3 Ų328.7 Ų28.72%0.01518%0.18CC..  trans-150.2142.4179.860.4-174.67700112.3R307 V411 F420 L424 F473 A516R307-M422 PolarHBondContact NH1-SD 3.2Å; V411-M422 VanDerWaalsContact O-CE 3.27Å; V411-M422 WeakPolarHBondContact O-CE 3.23Å; F420-M422 HydrophobicContact CB-CE 3.58Å; F420-M422 HydrophobicContact CB-CG 3.94Å; F420-M422 HydrophobicContact CB-SD 4.17Å; F420-M422 HydrophobicContact CD2-CE 4.4Å; F420-M422 HydrophobicContact CG-CE 4.05Å; F420-M422 PolarHBondContact O-N 3.18Å; M422-L424 HydrophobicContact CG-CG 4.47Å; M422-L424 HydrophobicContact SD-CD1 4.5Å; M422-L424 HydrophobicContact SD-CD2 4.36Å; M422-F473 WeakPolarHBondContact CA-O 3.49Å; M422-A516 HydrophobicContact CG-CB 3.99Å
423G94.2Very high93.2Very high0 Ų028.4 Ų28.40%018%0.179CC..EExtended strand (participates in β ladder)trans-96.4139162.400000110.1G472 F473G423-G472 WeakPolarHBondContact O-CA 3.34Å; G423-F473 PolarHBondContact N-O 3.37Å; G423-F473 PolarHBondContact O-N 3.09Å
424L95.2Very high93.2Very high1 Ų130 Ų301%0.00518%0.182CC..EExtended strand (participates in β ladder)trans-126.4158.4-179.6-62.4172.6000110.4P127 R307 V366 M422 G426 N471 Q514P127-L424 HydrophobicContact CB-CD1 4.17Å; R307-L424 HydrophobicContact CG-CD2 4.13Å; V366-L424 HydrophobicContact CG2-CD2 4.12Å; M422-L424 HydrophobicContact CG-CG 4.47Å; M422-L424 HydrophobicContact SD-CD1 4.5Å; M422-L424 HydrophobicContact SD-CD2 4.36Å; L424-G426 VanDerWaalsContact C-N 3.25Å; L424-G426 PolarHBondContact O-N 3.02Å; L424-G426 VanDerWaalsContact O-N 3.13Å; L424-N471 CarbonylContact C-O 2.88Å; L424-N471 VanDerWaalsContact CA-O 3.28Å; L424-N471 WeakPolarHBondContact CA-O 3.09Å; L424-Q514 HydrophobicContact CB-CB 4.48Å; L424-Q514 PolarHBondContact N-O 2.92Å; L424-Q514 WeakPolarHBondContact O-CA 3.38Å; L424-Q514 WeakPolarHBondContact O-CB 3.42Å; L424-Q514 PolarHBondContact O-N 2.86Å
425A94.3Very high93.1Very high17 Ų1726.2 Ų26.214%0.1417%0.166CC..EExtended strand (participates in β ladder)trans4548172.400000114.4L364 N471L364-A425 HydrophobicContact CB-CB 3.83Å; L364-A425 HydrophobicContact CD1-CB 3.97Å; L364-A425 HydrophobicContact CG-CB 4.48Å; A425-N471 PolarHBondContact N-O 3.42Å
426G94.7Very high93.5Very high0 Ų025.1 Ų25.10%016%0.16CC..EExtended strand (participates in β ladder)trans-94.1161.4-175.600000114.7L424 L470 Q512L424-G426 VanDerWaalsContact C-N 3.25Å; L424-G426 PolarHBondContact O-N 3.02Å; L424-G426 VanDerWaalsContact O-N 3.13Å; G426-L470 VanDerWaalsContact CA-O 3.22Å; G426-L470 WeakPolarHBondContact CA-O 3.34Å; G426-L470 PolarHBondContact N-O 2.79Å; G426-L470 PolarHBondContact O-N 3.04Å; G426-Q512 CarbonylContact C-O 3.52Å; G426-Q512 WeakPolarHBondContact CA-O 3.46Å
427Q96.4Very high94.1Very high55 Ų5522.4 Ų22.426%0.25713%0.13SC..EExtended strand (participates in β ladder)trans-145.2132.9169.3-172.7176-79.600109V231 V467 W468 T511 Q512V231-Q427 HydrophobicContact CG1-CB 4.23Å; V231-Q427 HydrophobicContact CG1-CG 4.39Å; V231-Q427 HydrophobicContact CG2-CG 4.44Å; Q427-V467 HydrophobicContact CG-CG1 3.7Å; Q427-W468 CarbonylContact C-O 3.58Å; Q427-W468 VanDerWaalsContact CA-O 3.32Å; Q427-W468 WeakPolarHBondContact CA-O 3.35Å; Q427-W468 WeakPolarHBondContact CG-O 3.36Å; Q427-T511 WeakPolarHBondContact O-CA 3.22Å; Q427-Q512 PolarHBondContact N-O 3Å; Q427-Q512 PolarHBondContact O-N 2.87Å
428M97.6Very high94.8Very high0 Ų018.4 Ų18.40%010%0.102CC..EExtended strand (participates in β ladder)trans-115.4131.6176.7177.5-176.669.400110.3Y42 L44 V430 V467 W468 L470 L479 I481 F509 V510 T511Y42-M428 HydrophobicContact CD1-SD 3.84Å; Y42-M428 HydrophobicContact CE1-SD 3.78Å; L44-M428 HydrophobicContact CD2-SD 3.72Å; M428-V430 HydrophobicContact CE-CG2 4.05Å; M428-V430 HydrophobicContact CG-CG2 4.39Å; M428-V430 HydrophobicContact SD-CG2 4.32Å; M428-V467 CarbonylContact O-C 3.56Å; M428-V467 VanDerWaalsContact O-CA 3.25Å; M428-V467 WeakPolarHBondContact O-CA 3.43Å; M428-W468 HydrophobicContact CE-CE3 3.82Å; M428-W468 HydrophobicContact CE-CZ3 4.21Å; M428-W468 PolarHBondContact N-O 2.79Å; M428-W468 PolarHBondContact O-N 2.81Å; M428-L470 HydrophobicContact CB-CD1 3.53Å; M428-L470 HydrophobicContact CB-CG 4.31Å; M428-L479 HydrophobicContact CE-CD1 3.63Å; M428-L479 HydrophobicContact SD-CD1 4.5Å; M428-I481 HydrophobicContact CE-CD1 3.79Å; M428-I481 HydrophobicContact SD-CD1 4.37Å; M428-F509 HydrophobicContact SD-CD1 4.12Å; M428-V510 CarbonylContact C-O 3.53Å; M428-V510 VanDerWaalsContact CA-O 3.31Å; M428-V510 WeakPolarHBondContact CA-O 3.41Å; M428-T511 HydrophobicContact CB-CG2 4.47Å; M428-T511 WeakPolarHBondContact CG-OG1 3.32Å
429E98.2Very high95.3Very high10 Ų1016.3 Ų16.35%0.0478%0.08CC..EExtended strand (participates in β ladder)trans-110.4134.2165172.9-178.8-173.600109.7V231 K431 S466 V467 V510V231-E429 HydrophobicContact CG2-CB 3.21Å; V231-E429 HydrophobicContact CG2-CG 4.34Å; V231-E429 PolarHBondContact N-OE2 3.37Å; E429-K431 VanDerWaalsContact CD-CE 3.5Å; E429-K431 HydrophobicContact CG-CG 4.03Å; E429-K431 WeakPolarHBondContact OE1-CE 3.4Å; E429-K431 IonicContact OE1-NZ 3.5Å; E429-K431 PolarHBondContact OE1-NZ 2.86Å; E429-K431 WeakPolarHBondContact OE2-CE 3.37Å; E429-K431 IonicContact OE2-NZ 3.24Å; E429-K431 PolarHBondContact OE2-NZ 3.23Å; E429-S466 WeakPolarHBondContact CA-O 3.39Å; E429-V467 HydrophobicContact CB-CG2 4.06Å; E429-V467 HydrophobicContact CG-CG2 4.02Å; E429-V510 PolarHBondContact N-O 3.18Å; E429-V510 PolarHBondContact O-N 3.37Å
430V98.4Very high95.7Very high0 Ų015.5 Ų15.50%08%0.075CC..EExtended strand (participates in β ladder)trans-102.8120.4173-179.10000108.7M428 T432 V438 S466 W468 I481 F483 V507 F509M428-V430 HydrophobicContact CE-CG2 4.05Å; M428-V430 HydrophobicContact CG-CG2 4.39Å; M428-V430 HydrophobicContact SD-CG2 4.32Å; V430-T432 HydrophobicContact CG1-CG2 4.42Å; V430-V438 HydrophobicContact CB-CG2 4.06Å; V430-V438 HydrophobicContact CG1-CG2 3.68Å; V430-S466 PolarHBondContact N-O 3Å; V430-W468 HydrophobicContact CB-CZ3 4.19Å; V430-W468 HydrophobicContact CG2-CE3 4.45Å; V430-W468 HydrophobicContact CG2-CZ3 3.67Å; V430-I481 HydrophobicContact CG2-CD1 4.27Å; V430-F483 HydrophobicContact CG1-CE1 3.95Å; V430-F483 HydrophobicContact CG1-CZ 4.44Å; V430-V507 HydrophobicContact CG1-CG1 3.83Å; V430-F509 HydrophobicContact CG1-CD1 4.42Å; V430-F509 HydrophobicContact CG1-CE1 4.16Å; V430-F509 HydrophobicContact CG2-CD1 3.68Å; V430-F509 HydrophobicContact CG2-CE1 3.93Å
431K98.2Very high95.9Very high8 Ų815 Ų154%0.0357%0.073CC..EExtended strand (participates in β ladder)trans-109.8143.4175.1-58.8177.9-177.9-73.20109.5C64 R65 L85 E429 N454 V507 Q508C64-K431 PolarHBondContact O-NZ 3.29Å; R65-K431 VanDerWaalsContact O-CE 3.3Å; R65-K431 WeakPolarHBondContact O-CE 3.36Å; L85-K431 HydrophobicContact CD1-CB 3.9Å; L85-K431 HydrophobicContact CD1-CD 4.31Å; E429-K431 VanDerWaalsContact CD-CE 3.5Å; E429-K431 HydrophobicContact CG-CG 4.03Å; E429-K431 WeakPolarHBondContact OE1-CE 3.4Å; E429-K431 IonicContact OE1-NZ 3.5Å; E429-K431 PolarHBondContact OE1-NZ 2.86Å; E429-K431 WeakPolarHBondContact OE2-CE 3.37Å; E429-K431 IonicContact OE2-NZ 3.24Å; E429-K431 PolarHBondContact OE2-NZ 3.23Å; K431-N454 WeakPolarHBondContact CA-ND2 3.25Å; K431-V507 CarbonylContact O-C 3.57Å; K431-V507 WeakPolarHBondContact O-CA 3.2Å; K431-Q508 HydrophobicContact CB-CB 4.39Å; K431-Q508 PolarHBondContact N-O 3.22Å; K431-Q508 PolarHBondContact O-N 3.04Å
432T97.5Very high96.3Very high4 Ų413.4 Ų13.43%0.0256%0.064CC..EExtended strand (participates in β ladder)trans-130.8162.4-177.956.20000110.6V430 L436 V438 F483 Y506 V507V430-T432 HydrophobicContact CG1-CG2 4.42Å; T432-L436 VanDerWaalsContact CB-O 3.31Å; T432-L436 WeakPolarHBondContact CB-O 3.46Å; T432-L436 HydrophobicContact CG2-CD2 4.18Å; T432-L436 HydrophobicContact CG2-CG 4.48Å; T432-L436 PolarHBondContact OG1-O 3.28Å; T432-V438 HydrophobicContact CG2-CG2 3.95Å; T432-F483 HydrophobicContact CG2-CD1 4.19Å; T432-F483 HydrophobicContact CG2-CE1 4.09Å; T432-Y506 CarbonylContact C-O 3.53Å; T432-Y506 VanDerWaalsContact CA-O 3.28Å; T432-Y506 WeakPolarHBondContact CA-O 3.15Å; T432-V507 HydrophobicContact CG2-CG2 4.27Å
433S95.1Very high96.5Very high3 Ų313.8 Ų13.82%0.0217%0.069CC..  trans-66.3161.6161.573.50000110.4L85 E435 L436 Y506L85-S433 WeakPolarHBondContact O-CA 3.13Å; S433-E435 WeakPolarHBondContact CB-OE2 3.36Å; S433-E435 PolarHBondContact O-N 3.26Å; S433-E435 PolarHBondContact OG-OE2 2.99Å; S433-L436 PolarHBondContact O-N 3.34Å; S433-L436 VanDerWaalsContact O-N 3.14Å; S433-Y506 PolarHBondContact N-O 3.1Å; S433-Y506 PolarHBondContact OG-N 2.6Å
434K92.3Very high96.6Very high112 Ų11214 Ų1449%0.4877%0.07SC..THydrogen-bonded Turntrans-61-26.3-167.8-66.2178.3-175.6170.80113.9L436K434-L436 VanDerWaalsContact C-N 3.33Å
435E91.6Very high96.7Very high21 Ų2114 Ų1410%0.0987%0.07CC..THydrogen-bonded Turntrans-80.8-15-174.3-5273.7-152.500112.7S433 A486 P498 W531S433-E435 WeakPolarHBondContact CB-OE2 3.36Å; S433-E435 PolarHBondContact O-N 3.26Å; S433-E435 PolarHBondContact OG-OE2 2.99Å; E435-A486 PolarHBondContact O-N 2.83Å; E435-P498 HydrophobicContact CG-CB 3.62Å; E435-P498 HydrophobicContact CG-CG 3.76Å; E435-W531 HydrophobicContact CB-CH2 4.08Å; E435-W531 HydrophobicContact CB-CZ2 3.56Å; E435-W531 HydrophobicContact CG-CZ2 4.49Å
436L95.4Very high96.9Very high0 Ų014.7 Ų14.70%07%0.07CC..EExtended strand (participates in β ladder)trans-119.1138.9179.2-166.175.2000109.5W24 I38 T432 S433 K434 F483 V485 V507 W531W24-L436 HydrophobicContact CE3-CD2 4.3Å; W24-L436 HydrophobicContact CH2-CD2 4.13Å; W24-L436 HydrophobicContact CZ3-CD2 3.86Å; I38-L436 HydrophobicContact CD1-CD1 4.36Å; T432-L436 VanDerWaalsContact CB-O 3.31Å; T432-L436 WeakPolarHBondContact CB-O 3.46Å; T432-L436 HydrophobicContact CG2-CD2 4.18Å; T432-L436 HydrophobicContact CG2-CG 4.48Å; T432-L436 PolarHBondContact OG1-O 3.28Å; S433-L436 PolarHBondContact O-N 3.34Å; S433-L436 VanDerWaalsContact O-N 3.14Å; K434-L436 VanDerWaalsContact C-N 3.33Å; L436-F483 HydrophobicContact CD1-CB 3.74Å; L436-F483 HydrophobicContact CD1-CG 4.5Å; L436-F483 HydrophobicContact CD2-CB 4.08Å; L436-F483 HydrophobicContact CD2-CD1 3.77Å; L436-F483 HydrophobicContact CD2-CE1 4.39Å; L436-F483 HydrophobicContact CD2-CG 3.94Å; L436-F483 HydrophobicContact CG-CB 3.89Å; L436-F483 HydrophobicContact CG-CD1 4.14Å; L436-F483 HydrophobicContact CG-CG 4.25Å; L436-V485 HydrophobicContact CD1-CG2 4.5Å; L436-V507 HydrophobicContact CD2-CG2 3.65Å; L436-W531 HydrophobicContact CB-CH2 4.12Å; L436-W531 HydrophobicContact CB-CZ2 4.37Å; L436-W531 HydrophobicContact CD1-CH2 4.05Å
437K97.5Very high97Very high41 Ų4116.1 Ų16.118%0.1788%0.08CC..EExtended strand (participates in β ladder)trans-125157.6174.4-59.3-67.7177.6-158.90110.6S453 N454 F483 E484 A486K437-S453 PolarHBondContact NZ-O 3.48Å; K437-N454 CarbonylContact C-O 3.51Å; K437-N454 WeakPolarHBondContact CA-O 3.35Å; K437-F483 CarbonylContact O-C 3.6Å; K437-F483 WeakPolarHBondContact O-CA 3.21Å; K437-F483 WeakPolarHBondContact O-CB 3.47Å; K437-E484 HydrophobicContact CB-CG 3.84Å; K437-E484 PolarHBondContact N-O 3.37Å; K437-E484 PolarHBondContact O-N 3.39Å; K437-A486 HydrophobicContact CG-CB 3.83Å
438V98.3Very high96.9Very high1 Ų114.1 Ų14.11%0.0067%0.073CC..EExtended strand (participates in β ladder)trans-90116.2179.4178.80000108.8V430 T432 N454 G456 W468 F483V430-V438 HydrophobicContact CB-CG2 4.06Å; V430-V438 HydrophobicContact CG1-CG2 3.68Å; T432-V438 HydrophobicContact CG2-CG2 3.95Å; V438-N454 PolarHBondContact N-O 3.35Å; V438-G456 PolarHBondContact O-N 2.62Å; V438-W468 HydrophobicContact CG1-CH2 3.44Å; V438-W468 VanDerWaalsContact CG1-CH2 3.44Å; V438-W468 HydrophobicContact CG1-CZ2 4.25Å; V438-W468 HydrophobicContact CG1-CZ3 4.28Å; V438-F483 HydrophobicContact CG2-CD1 4.26Å; V438-F483 HydrophobicContact CG2-CE1 4.17Å
439S98.1Very high96.7Very high1 Ų120.2 Ų20.21%0.00711%0.106CC..EExtended strand (participates in β ladder)trans-84.7-32.2178.7-510000112.2Q458 V460 G463 Y482 F483 E484S439-Q458 CarbonylContact C-O 3.57Å; S439-Q458 WeakPolarHBondContact CA-O 3.34Å; S439-Q458 WeakPolarHBondContact CB-O 3.39Å; S439-Q458 VanDerWaalsContact O-O 3.09Å; S439-V460 PolarHBondContact O-N 2.83Å; S439-V460 VanDerWaalsContact O-N 3.08Å; S439-G463 WeakPolarHBondContact O-CA 3.1Å; S439-Y482 PolarHBondContact N-O 3.33Å; S439-F483 VanDerWaalsContact OG-C 3.25Å; S439-E484 PolarHBondContact OG-N 3.08Å
440G98.3Very high96.5Very high0 Ų022.4 Ų22.40%012%0.12CC..EExtended strand (participates in β ladder)trans156.2-167.5171.600000113.7V460 Y482G440-V460 CarbonylContact C-O 3.51Å; G440-V460 WeakPolarHBondContact CA-O 3.44Å; G440-Y482 PolarHBondContact N-O 3.39Å; G440-Y482 PolarHBondContact O-N 2.74Å
441C98.6Very high96.1Very high0 Ų029.5 Ų29.50%015%0.15CC..EExtended strand (participates in β ladder)trans-133.5142.5-176.9-177.50000111.8V460 I462 W468 A480C441-V460 PolarHBondContact N-O 3.37Å; C441-I462 PolarHBondContact N-O 2.78Å; C441-I462 WeakPolarHBondContact O-CB 3.41Å; C441-I462 PolarHBondContact O-N 2.82Å; C441-W468 HydrophobicContact CB-CD2 4.1Å; C441-W468 VanDerWaalsContact CB-CE2 3.45Å; C441-W468 HydrophobicContact CB-CH2 3.99Å; C441-W468 HydrophobicContact CB-CZ2 3.42Å; C441-W468 VanDerWaalsContact CB-CZ2 3.42Å; C441-A480 CarbonylContact C-O 3.59Å; C441-A480 WeakPolarHBondContact CA-O 3.4Å; C441-A480 PolarHBondContact SG-O 3.29Å
442I98.6Very high95.9Very high5 Ų530.3 Ų30.33%0.02616%0.156CC..EExtended strand (participates in β ladder)trans-121.4121.6166.9-59.6173.8000108.4V460 A480 Y482 R556 M557 F560I442-V460 HydrophobicContact CD1-CG1 4.33Å; I442-A480 HydrophobicContact CB-CB 4.36Å; I442-A480 PolarHBondContact N-O 2.96Å; I442-A480 WeakPolarHBondContact O-CB 3.27Å; I442-A480 PolarHBondContact O-N 3.22Å; I442-Y482 HydrophobicContact CB-CE2 4.05Å; I442-Y482 HydrophobicContact CD1-CE2 3.69Å; I442-Y482 HydrophobicContact CG1-CE2 3.76Å; I442-R556 HydrophobicContact CB-CB 4.45Å; I442-R556 HydrophobicContact CG2-CB 3.95Å; I442-R556 PolarHBondContact O-NH1 3.2Å; I442-M557 HydrophobicContact CD1-CG 4.06Å; I442-F560 HydrophobicContact CD1-CB 3.93Å; I442-F560 HydrophobicContact CD1-CG 4.21Å; I442-F560 HydrophobicContact CG1-CD2 4.45Å
443G97.8Very high95.8Very high11 Ų1134.3 Ų34.311%0.11318%0.184CC..SBendtrans153.8-179.4-178.800000111.4C445 N636G443-C445 VanDerWaalsContact C-N 3.32Å; G443-C445 PolarHBondContact O-N 3.2Å; G443-N636 WeakPolarHBondContact CA-O 3.49Å
444P97.1Very high95.8Very high5 Ų534.8 Ų34.83%0.03219%0.187CC..SBendtrans-69.383.3-179.427.4-35.9000112.1N387 T477 L479 N636 K637N387-P444 CarbonylContact O-C 3.16Å; N387-P444 VanDerWaalsContact O-CA 3.25Å; N387-P444 WeakPolarHBondContact O-CA 3.37Å; P444-T477 HydrophobicContact CG-CG2 3.72Å; P444-L479 HydrophobicContact CG-CD2 4.22Å; P444-N636 WeakPolarHBondContact CD-O 3.46Å; P444-K637 HydrophobicContact CG-CB 4.21Å; P444-K637 HydrophobicContact CG-CG 4.16Å
445C97.8Very high96.1Very high1 Ų130.6 Ų30.61%0.00717%0.17CC..  trans-153.3167.4-179.769.20000111.3N387 G443 I462 W468 L470 L479N387-C445 PolarHBondContact O-N 2.96Å; G443-C445 VanDerWaalsContact C-N 3.32Å; G443-C445 PolarHBondContact O-N 3.2Å; C445-I462 WeakPolarHBondContact O-CD1 3.29Å; C445-W468 HydrophobicContact CB-CB 4.1Å; C445-W468 HydrophobicContact CB-CG 4.5Å; C445-L470 HydrophobicContact CB-CD2 3.73Å; C445-L479 HydrophobicContact CB-CD2 4.36Å
446F97.8Very high96.2Very high31 Ų3130.4 Ų30.414%0.13617%0.174CC..EExtended strand (participates in β ladder)trans-129.7134.7179.2-176.5-108.1000111N358 A361 Y388 A448 W468 R469N358-F446 WeakPolarHBondContact OD1-CE2 3.23Å; N358-F446 WeakPolarHBondContact OD1-CZ 3.35Å; A361-F446 HydrophobicContact CB-CB 3.79Å; A361-F446 HydrophobicContact CB-CD1 3.71Å; A361-F446 HydrophobicContact CB-CD2 4.02Å; A361-F446 HydrophobicContact CB-CE1 4.28Å; A361-F446 HydrophobicContact CB-CG 3.55Å; Y388-F446 AromaticContact CD2-CD2 3.75Å; Y388-F446 HydrophobicContact CD2-CD2 3.75Å; Y388-F446 AromaticContact CD2-CE2 3.89Å; Y388-F446 HydrophobicContact CD2-CE2 3.89Å; Y388-F446 HydrophobicContact CE2-CD2 4.33Å; Y388-F446 HydrophobicContact CE2-CE2 4.18Å; Y388-F446 AromaticContact CG-CD2 4Å; Y388-F446 HydrophobicContact CG-CD2 4Å; Y388-F446 WeakPolarHBondContact O-CB 3.46Å; F446-A448 PolarHBondContact O-N 3.39Å; F446-W468 CarbonylContact O-C 3.59Å; F446-W468 VanDerWaalsContact O-CA 3.3Å; F446-W468 WeakPolarHBondContact O-CA 3.24Å; F446-R469 HydrophobicContact CB-CB 4.31Å; F446-R469 PolarHBondContact N-O 3.18Å; F446-R469 PolarHBondContact O-N 2.83Å
447S97.2Very high96.1Very high29 Ų2938.2 Ų38.220%0.20321%0.21CC..EExtended strand (participates in β ladder)trans-61.5128.8180-176.70000110.8N449 T465S447-N449 PolarHBondContact O-N 3.25Å; S447-N449 PolarHBondContact OG-N 2.87Å; S447-N449 VanDerWaalsContact OG-N 3.07Å; S447-T465 WeakPolarHBondContact OG-CG2 3.5Å
448A94.6Very high96Very high14 Ų1440.9 Ų40.912%0.11622%0.223CC..  trans-78-5.3168.700000112F446 V450 V467 R469F446-A448 PolarHBondContact O-N 3.39Å; A448-V450 HydrophobicContact CB-CG2 4.1Å; A448-V450 PolarHBondContact O-N 2.87Å; A448-V467 HydrophobicContact CB-CB 3.98Å; A448-V467 HydrophobicContact CB-CG1 3.76Å; A448-V467 VanDerWaalsContact CB-O 3.25Å; A448-V467 WeakPolarHBondContact CB-O 3.47Å; A448-V467 PolarHBondContact N-O 3.44Å; A448-R469 HydrophobicContact CB-CG 4.48Å
449N93.3Very high95.8Very high128 Ų12845.2 Ų45.268%0.68424%0.244SC*.  trans54.235.8-175.9-163.425.5000113S447S447-N449 PolarHBondContact O-N 3.25Å; S447-N449 PolarHBondContact OG-N 2.87Å; S447-N449 VanDerWaalsContact OG-N 3.07Å
450V93.5Very high95.8Very high56 Ų5646 Ų4634%0.33925%0.248SC..  trans-105.4113.3177-178.90000108.9A448 T452 T465 S466 V467A448-V450 HydrophobicContact CB-CG2 4.1Å; A448-V450 PolarHBondContact O-N 2.87Å; V450-T452 HydrophobicContact CG1-CG2 4.13Å; V450-T465 PolarHBondContact N-OG1 3.16Å; V450-T465 WeakPolarHBondContact O-CA 3.45Å; V450-T465 PolarHBondContact O-OG1 3.44Å; V450-S466 PolarHBondContact O-N 3.03Å; V450-V467 HydrophobicContact CB-CB 4.07Å; V450-V467 HydrophobicContact CB-CG2 3.92Å; V450-V467 HydrophobicContact CG1-CG2 4.08Å
451K90.8Very high95.7Very high148 Ų14846.5 Ų46.564%0.64325%0.253SS*.  trans-85.7128.4169.6-69.1-174.8179.6-172.20109.4T455 R464K451-T455 HydrophobicContact CG-CG2 4.49Å; K451-R464 VanDerWaalsContact CG-O 3.27Å; K451-R464 WeakPolarHBondContact CG-O 3.4Å
452T93.8Very high95.6Very high26 Ų2648.4 Ų48.416%0.1626%0.263CS..  trans-117.2178.2174.674.10000109.8V450 N454 T455 S466 V467V450-T452 HydrophobicContact CG1-CG2 4.13Å; T452-N454 PolarHBondContact O-N 3.12Å; T452-N454 VanDerWaalsContact O-N 3.09Å; T452-N454 PolarHBondContact OG1-N 3.47Å; T452-N454 VanDerWaalsContact OG1-N 3.07Å; T452-T455 PolarHBondContact N-OG1 3.48Å; T452-T455 VanDerWaalsContact N-OG1 3.07Å; T452-T455 PolarHBondContact O-N 3.46Å; T452-S466 VanDerWaalsContact CG2-OG 3.29Å; T452-S466 WeakPolarHBondContact CG2-OG 3.44Å; T452-S466 PolarHBondContact OG1-OG 2.91Å; T452-V467 HydrophobicContact CG2-CG2 4.28Å
453S94.2Very high95.5Very high87 Ų8748.5 Ų48.561%0.60827%0.265SS*.THydrogen-bonded Turntrans-61.4-13.1170.659.40000113.7K437K437-S453 PolarHBondContact NZ-O 3.48Å
454N96.1Very high95.5Very high14 Ų1455.2 Ų55.28%0.07529%0.287CS..THydrogen-bonded Turntrans-97.6-8.4-177.9-53.2-39.3000112.6K431 K437 V438 T452K431-N454 WeakPolarHBondContact CA-ND2 3.25Å; K437-N454 CarbonylContact C-O 3.51Å; K437-N454 WeakPolarHBondContact CA-O 3.35Å; V438-N454 PolarHBondContact N-O 3.35Å; T452-N454 PolarHBondContact O-N 3.12Å; T452-N454 VanDerWaalsContact O-N 3.09Å; T452-N454 PolarHBondContact OG1-N 3.47Å; T452-N454 VanDerWaalsContact OG1-N 3.07Å
455T97.2Very high95.5Very high24 Ų2455 Ų5515%0.14729%0.286CS..BIsolated β-bridgetrans-72.7127.6178.6-53.20000110.3K451 T452 S466K451-T455 HydrophobicContact CG-CG2 4.49Å; T452-T455 PolarHBondContact N-OG1 3.48Å; T452-T455 VanDerWaalsContact N-OG1 3.07Å; T452-T455 PolarHBondContact O-N 3.46Å; T455-S466 PolarHBondContact OG1-N 3.07Å
456G95Very high95.4Very high16 Ų1655 Ų5517%0.16529%0.285CS..  trans-81.1171.4177.700000113.9V438 E484V438-G456 PolarHBondContact O-N 2.62Å; G456-E484 VanDerWaalsContact C-OE1 3.29Å; G456-E484 WeakPolarHBondContact CA-OE1 3.28Å
457E93.2Very high95.5Very high165 Ų16553.7 Ų53.777%0.77128%0.28SS*.SBendtrans-84.8-37.5172.6-65.2-178.3168.100111.6E459 E484E457-E459 PolarHBondContact O-N 2.97Å; E457-E484 PolarHBondContact N-OE1 3.2Å
458Q94Very high95.5Very high97 Ų9752.3 Ų52.345%0.45327%0.271SS..SBendtrans-70.2125.7176.1-174.9179.722.700110.2S439 V460 E484S439-Q458 CarbonylContact C-O 3.57Å; S439-Q458 WeakPolarHBondContact CA-O 3.34Å; S439-Q458 WeakPolarHBondContact CB-O 3.39Å; S439-Q458 VanDerWaalsContact O-O 3.09Å; Q458-V460 HydrophobicContact CG-CG2 4.34Å; Q458-E484 WeakPolarHBondContact CB-OE2 3.37Å; Q458-E484 PolarHBondContact N-OE1 2.61Å; Q458-E484 PolarHBondContact N-OE2 2.7Å
459E95.5Very high95.7Very high92 Ų9253.2 Ų53.243%0.4327%0.271SS..  trans-98.5123.5178179.2165.7-154.100110.7E457 R464E457-E459 PolarHBondContact O-N 2.97Å; E459-R464 IonicContact OE1-NE 2.74Å; E459-R464 PolarHBondContact OE1-NE 2.81Å; E459-R464 IonicContact OE2-CZ 2.97Å; E459-R464 VanDerWaalsContact OE2-CZ 3.28Å; E459-R464 IonicContact OE2-NE 3.28Å; E459-R464 PolarHBondContact OE2-NE 2.98Å; E459-R464 IonicContact OE2-NH2 3.39Å; E459-R464 PolarHBondContact OE2-NH2 2.77Å
460V96.8Very high95.8Very high16 Ų1647.2 Ų47.210%0.09724%0.239CC..  trans-128.8121.8172.8-178.40000109.3S439 G440 C441 I442 Q458 I462 Y482 M557S439-V460 PolarHBondContact O-N 2.83Å; S439-V460 VanDerWaalsContact O-N 3.08Å; G440-V460 CarbonylContact C-O 3.51Å; G440-V460 WeakPolarHBondContact CA-O 3.44Å; C441-V460 PolarHBondContact N-O 3.37Å; I442-V460 HydrophobicContact CD1-CG1 4.33Å; Q458-V460 HydrophobicContact CG-CG2 4.34Å; V460-I462 PolarHBondContact O-N 2.98Å; V460-Y482 HydrophobicContact CB-CD2 4.23Å; V460-Y482 HydrophobicContact CB-CG 4.16Å; V460-Y482 HydrophobicContact CG1-CD1 4.08Å; V460-Y482 HydrophobicContact CG1-CD2 3.53Å; V460-Y482 HydrophobicContact CG1-CE1 4.45Å; V460-Y482 HydrophobicContact CG1-CE2 3.97Å; V460-Y482 HydrophobicContact CG1-CG 3.61Å; V460-M557 HydrophobicContact CG1-CE 4.28Å; V460-M557 HydrophobicContact CG1-CG 4.34Å
461G97.3Very high96Very high11 Ų1144.6 Ų44.611%0.11322%0.223CC..SBendtrans63.2-133-177.200000112G463G461-G463 VanDerWaalsContact C-N 3.3Å; G461-G463 PolarHBondContact O-N 2.89Å
462I97.1Very high96.3Very high41 Ų4137.7 Ų37.721%0.2119%0.193CC..EExtended strand (participates in β ladder)trans-78.580.8173.2-53.5167000108.2C441 C445 V460 W468C441-I462 PolarHBondContact N-O 2.78Å; C441-I462 WeakPolarHBondContact O-CB 3.41Å; C441-I462 PolarHBondContact O-N 2.82Å; C445-I462 WeakPolarHBondContact O-CD1 3.29Å; V460-I462 PolarHBondContact O-N 2.98Å; I462-W468 PolarHBondContact O-NE1 3.39Å
463G96.6Very high96.4Very high6 Ų636.6 Ų36.66%0.06219%0.186CC..EExtended strand (participates in β ladder)trans-100.1-156.4-177.100000114.5S439 G461 T465S439-G463 WeakPolarHBondContact O-CA 3.1Å; G461-G463 VanDerWaalsContact C-N 3.3Å; G461-G463 PolarHBondContact O-N 2.89Å; G463-T465 PolarHBondContact O-N 2.94Å
464R95.9Very high96.4Very high153 Ų15333.3 Ų33.358%0.57716%0.163SC*.SBendtrans55.518.8-175.4-56.4-178.2-174.9-165.70.8114.8K451 E459K451-R464 VanDerWaalsContact CG-O 3.27Å; K451-R464 WeakPolarHBondContact CG-O 3.4Å; E459-R464 IonicContact OE1-NE 2.74Å; E459-R464 PolarHBondContact OE1-NE 2.81Å; E459-R464 IonicContact OE2-CZ 2.97Å; E459-R464 VanDerWaalsContact OE2-CZ 3.28Å; E459-R464 IonicContact OE2-NE 3.28Å; E459-R464 PolarHBondContact OE2-NE 2.98Å; E459-R464 IonicContact OE2-NH2 3.39Å; E459-R464 PolarHBondContact OE2-NH2 2.77Å
465T97.3Very high96.2Very high0 Ų034.1 Ų34.10%017%0.169CC..  trans-149.3160.4176-169.30000109.2S447 V450 G463 V467 W468S447-T465 WeakPolarHBondContact OG-CG2 3.5Å; V450-T465 PolarHBondContact N-OG1 3.16Å; V450-T465 WeakPolarHBondContact O-CA 3.45Å; V450-T465 PolarHBondContact O-OG1 3.44Å; G463-T465 PolarHBondContact O-N 2.94Å; T465-V467 WeakPolarHBondContact CG2-O 3.39Å; T465-V467 PolarHBondContact OG1-N 3.05Å; T465-V467 VanDerWaalsContact OG1-N 3.09Å; T465-V467 PolarHBondContact OG1-O 2.8Å; T465-V467 VanDerWaalsContact OG1-O 3.08Å; T465-W468 HydrophobicContact CG2-CD2 4.34Å; T465-W468 HydrophobicContact CG2-CZ2 4.17Å
466S97.3Very high95.9Very high0 Ų034.4 Ų34.40%017%0.172CC..SBendtrans-117.917.7164.368.10000111.3E429 V430 V450 T452 T455E429-S466 WeakPolarHBondContact CA-O 3.39Å; V430-S466 PolarHBondContact N-O 3Å; V450-S466 PolarHBondContact O-N 3.03Å; T452-S466 VanDerWaalsContact CG2-OG 3.29Å; T452-S466 WeakPolarHBondContact CG2-OG 3.44Å; T452-S466 PolarHBondContact OG1-OG 2.91Å; T455-S466 PolarHBondContact OG1-N 3.07Å
467V98.2Very high96Very high5 Ų533.7 Ų33.73%0.0316%0.164CC..EExtended strand (participates in β ladder)trans-135.7123.7-176.6-170.70000109.4V231 Q427 M428 E429 A448 V450 T452 T465V231-V467 HydrophobicContact CG2-CG1 4.49Å; Q427-V467 HydrophobicContact CG-CG1 3.7Å; M428-V467 CarbonylContact O-C 3.56Å; M428-V467 VanDerWaalsContact O-CA 3.25Å; M428-V467 WeakPolarHBondContact O-CA 3.43Å; E429-V467 HydrophobicContact CB-CG2 4.06Å; E429-V467 HydrophobicContact CG-CG2 4.02Å; A448-V467 HydrophobicContact CB-CB 3.98Å; A448-V467 HydrophobicContact CB-CG1 3.76Å; A448-V467 VanDerWaalsContact CB-O 3.25Å; A448-V467 WeakPolarHBondContact CB-O 3.47Å; A448-V467 PolarHBondContact N-O 3.44Å; V450-V467 HydrophobicContact CB-CB 4.07Å; V450-V467 HydrophobicContact CB-CG2 3.92Å; V450-V467 HydrophobicContact CG1-CG2 4.08Å; T452-V467 HydrophobicContact CG2-CG2 4.28Å; T465-V467 WeakPolarHBondContact CG2-O 3.39Å; T465-V467 PolarHBondContact OG1-N 3.05Å; T465-V467 VanDerWaalsContact OG1-N 3.09Å; T465-V467 PolarHBondContact OG1-O 2.8Å; T465-V467 VanDerWaalsContact OG1-O 3.08Å
468W98.3Very high96.2Very high0 Ų025.8 Ų25.80%013%0.127CC..EExtended strand (participates in β ladder)trans-125144.2178.9-60.6-93.5000111Q427 M428 V430 V438 C441 C445 F446 I462 T465Q427-W468 CarbonylContact C-O 3.58Å; Q427-W468 VanDerWaalsContact CA-O 3.32Å; Q427-W468 WeakPolarHBondContact CA-O 3.35Å; Q427-W468 WeakPolarHBondContact CG-O 3.36Å; M428-W468 HydrophobicContact CE-CE3 3.82Å; M428-W468 HydrophobicContact CE-CZ3 4.21Å; M428-W468 PolarHBondContact N-O 2.79Å; M428-W468 PolarHBondContact O-N 2.81Å; V430-W468 HydrophobicContact CB-CZ3 4.19Å; V430-W468 HydrophobicContact CG2-CE3 4.45Å; V430-W468 HydrophobicContact CG2-CZ3 3.67Å; V438-W468 HydrophobicContact CG1-CH2 3.44Å; V438-W468 VanDerWaalsContact CG1-CH2 3.44Å; V438-W468 HydrophobicContact CG1-CZ2 4.25Å; V438-W468 HydrophobicContact CG1-CZ3 4.28Å; C441-W468 HydrophobicContact CB-CD2 4.1Å; C441-W468 VanDerWaalsContact CB-CE2 3.45Å; C441-W468 HydrophobicContact CB-CH2 3.99Å; C441-W468 HydrophobicContact CB-CZ2 3.42Å; C441-W468 VanDerWaalsContact CB-CZ2 3.42Å; C445-W468 HydrophobicContact CB-CB 4.1Å; C445-W468 HydrophobicContact CB-CG 4.5Å; F446-W468 CarbonylContact O-C 3.59Å; F446-W468 VanDerWaalsContact O-CA 3.3Å; F446-W468 WeakPolarHBondContact O-CA 3.24Å; I462-W468 PolarHBondContact O-NE1 3.39Å; T465-W468 HydrophobicContact CG2-CD2 4.34Å; T465-W468 HydrophobicContact CG2-CZ2 4.17Å
469R97.6Very high96.5Very high33 Ų3321.2 Ų21.213%0.12511%0.106CC..EExtended strand (participates in β ladder)trans-81.3140.9166-62.3-171.5179.9106.7-2.5109.7A361 Q362 L364 F446 A448A361-R469 WeakPolarHBondContact O-CD 3.21Å; Q362-R469 VanDerWaalsContact NE2-NH2 3.19Å; Q362-R469 VanDerWaalsContact OE1-CZ 3.27Å; L364-R469 HydrophobicContact CD2-CB 4.01Å; L364-R469 HydrophobicContact CD2-CG 4.05Å; F446-R469 HydrophobicContact CB-CB 4.31Å; F446-R469 PolarHBondContact N-O 3.18Å; F446-R469 PolarHBondContact O-N 2.83Å; A448-R469 HydrophobicContact CB-CG 4.48Å
470L97Very high96.6Very high2 Ų216.8 Ų16.81%0.019%0.085CC..EExtended strand (participates in β ladder)trans-130.578.8-176-56.4175.7000107.6L44 G426 M428 C445 G472 F473 L479 T511L44-L470 HydrophobicContact CD1-CD1 3.79Å; L44-L470 HydrophobicContact CD1-CD2 4.06Å; L44-L470 HydrophobicContact CD1-CG 4.41Å; L44-L470 HydrophobicContact CD2-CD1 3.6Å; L44-L470 HydrophobicContact CG-CD1 4.31Å; G426-L470 VanDerWaalsContact CA-O 3.22Å; G426-L470 WeakPolarHBondContact CA-O 3.34Å; G426-L470 PolarHBondContact N-O 2.79Å; G426-L470 PolarHBondContact O-N 3.04Å; M428-L470 HydrophobicContact CB-CD1 3.53Å; M428-L470 HydrophobicContact CB-CG 4.31Å; C445-L470 HydrophobicContact CB-CD2 3.73Å; L470-G472 PolarHBondContact O-N 3.47Å; L470-F473 HydrophobicContact CB-CD1 3.79Å; L470-F473 HydrophobicContact CB-CE1 3.88Å; L470-L479 HydrophobicContact CD2-CD1 3.75Å; L470-T511 HydrophobicContact CD1-CG2 3.97Å
471N97.2Very high96.7Very high1 Ų116 Ų161%0.0058%0.081CC..EExtended strand (participates in β ladder)trans-70.2-38.7-166.5-40.4-16.3000112A361 H365 V366 T389 L424 A425A361-N471 WeakPolarHBondContact CA-ND2 3.49Å; A361-N471 VanDerWaalsContact CB-ND2 3.34Å; A361-N471 WeakPolarHBondContact CB-ND2 3.28Å; H365-N471 WeakPolarHBondContact O-CB 3.35Å; H365-N471 PolarHBondContact O-ND2 2.71Å; V366-N471 VanDerWaalsContact CG2-C 3.47Å; V366-N471 HydrophobicContact CG2-CB 4.11Å; V366-N471 WeakPolarHBondContact CG2-O 3.45Å; T389-N471 VanDerWaalsContact CA-ND2 3.29Å; T389-N471 WeakPolarHBondContact CA-ND2 3.4Å; T389-N471 WeakPolarHBondContact CB-ND2 3.42Å; T389-N471 WeakPolarHBondContact CG2-ND2 3.45Å; T389-N471 WeakPolarHBondContact O-CB 3.47Å; L424-N471 CarbonylContact C-O 2.88Å; L424-N471 VanDerWaalsContact CA-O 3.28Å; L424-N471 WeakPolarHBondContact CA-O 3.09Å; A425-N471 PolarHBondContact N-O 3.42Å
472G96.6Very high96.8Very high2 Ų215.6 Ų15.62%0.0218%0.075CC..EExtended strand (participates in β ladder)trans-141.6134.5174.800000110.3V366 T389 G390 G423 L470V366-G472 VanDerWaalsContact CG2-CA 3.49Å; T389-G472 PolarHBondContact O-N 3.17Å; G390-G472 WeakPolarHBondContact CA-O 3.36Å; G423-G472 WeakPolarHBondContact O-CA 3.34Å; L470-G472 PolarHBondContact O-N 3.47Å
473F96.3Very high96.8Very high3 Ų313.8 Ų13.81%0.0137%0.066CC..EExtended strand (participates in β ladder)trans-153.7155.6175.953.9-86.7000110.9L44 F45 M422 G423 L470 T477 Y513L44-F473 HydrophobicContact CB-CD2 4.06Å; L44-F473 HydrophobicContact CB-CE2 4.35Å; L44-F473 HydrophobicContact CD1-CB 3.96Å; L44-F473 HydrophobicContact CD1-CD1 4.46Å; L44-F473 HydrophobicContact CD1-CD2 4.26Å; L44-F473 HydrophobicContact CD1-CG 4Å; F45-F473 HydrophobicContact CB-CD2 3.85Å; F45-F473 HydrophobicContact CB-CE2 3.88Å; F45-F473 HydrophobicContact CG-CE2 4.35Å; M422-F473 WeakPolarHBondContact CA-O 3.49Å; G423-F473 PolarHBondContact N-O 3.37Å; G423-F473 PolarHBondContact O-N 3.09Å; L470-F473 HydrophobicContact CB-CD1 3.79Å; L470-F473 HydrophobicContact CB-CE1 3.88Å; F473-T477 HydrophobicContact CB-CG2 3.79Å; F473-Y513 HydrophobicContact CE2-CD2 4.21Å; F473-Y513 HydrophobicContact CE2-CG 4.36Å; F473-Y513 HydrophobicContact CZ-CD1 4.25Å; F473-Y513 AromaticContact CZ-CD2 3.71Å; F473-Y513 HydrophobicContact CZ-CD2 3.71Å; F473-Y513 HydrophobicContact CZ-CE2 4.45Å; F473-Y513 AromaticContact CZ-CG 3.59Å; F473-Y513 HydrophobicContact CZ-CG 3.59Å
474T93.8Very high96.8Very high19 Ų1914.1 Ų14.112%0.1177%0.066CC..  trans-115170.3-178.257.70000110.4S476 T477T474-S476 PolarHBondContact O-N 2.78Å; T474-S476 VanDerWaalsContact O-N 3.15Å; T474-S476 PolarHBondContact OG1-OG 3.18Å; T474-S476 VanDerWaalsContact OG1-OG 3.11Å; T474-T477 PolarHBondContact N-OG1 2.71Å; T474-T477 WeakPolarHBondContact O-CB 3.47Å; T474-T477 PolarHBondContact O-N 2.78Å; T474-T477 PolarHBondContact O-OG1 2.8Å; T474-T477 PolarHBondContact OG1-N 3.27Å; T474-T477 PolarHBondContact OG1-OG1 3.06Å
475P91.7Very high96.8Very high31 Ų317 Ų720%0.2014%0.039CC..THydrogen-bonded Turntrans-56.6-25.2172.6-27.735.2000115.1T43 F45 E47 L421T43-P475 WeakPolarHBondContact CG2-O 3.37Å; F45-P475 HydrophobicContact CD1-CB 4.33Å; F45-P475 HydrophobicContact CD1-CG 3.67Å; F45-P475 HydrophobicContact CE1-CG 3.88Å; F45-P475 WeakPolarHBondContact O-CA 3.17Å; E47-P475 HydrophobicContact CG-CB 4.2Å; E47-P475 HydrophobicContact CG-CG 4.18Å; L421-P475 HydrophobicContact CB-CG 4.22Å; L421-P475 WeakPolarHBondContact O-CD 3.41Å
476S91.7Very high96.5Very high29 Ų299 Ų920%0.2036%0.057CC..THydrogen-bonded Turntrans-87.9-5.9175.1670000114.3T474 T478 K637 E638T474-S476 PolarHBondContact O-N 2.78Å; T474-S476 VanDerWaalsContact O-N 3.15Å; T474-S476 PolarHBondContact OG1-OG 3.18Å; T474-S476 VanDerWaalsContact OG1-OG 3.11Å; S476-T478 PolarHBondContact O-N 3.24Å; S476-T478 VanDerWaalsContact O-N 3.11Å; S476-T478 PolarHBondContact O-OG1 2.76Å; S476-K637 VanDerWaalsContact O-O 3.04Å; S476-E638 PolarHBondContact OG-OE1 2.93Å
477T96.8Very high95.9Very high1 Ų111 Ų111%0.0067%0.068CC..  trans-73.1109.8-176.4-59.60000110.6L44 P444 F473 T474 K637L44-T477 HydrophobicContact CD1-CG2 3.96Å; L44-T477 PolarHBondContact N-O 3.34Å; L44-T477 VanDerWaalsContact N-O 3.14Å; P444-T477 HydrophobicContact CG-CG2 3.72Å; F473-T477 HydrophobicContact CB-CG2 3.79Å; T474-T477 PolarHBondContact N-OG1 2.71Å; T474-T477 WeakPolarHBondContact O-CB 3.47Å; T474-T477 PolarHBondContact O-N 2.78Å; T474-T477 PolarHBondContact O-OG1 2.8Å; T474-T477 PolarHBondContact OG1-N 3.27Å; T474-T477 PolarHBondContact OG1-OG1 3.06Å; T477-K637 WeakPolarHBondContact CA-O 3.29Å; T477-K637 HydrophobicContact CG2-CG 4.37Å; T477-K637 WeakPolarHBondContact OG1-CE 3.39Å
478T98.2Very high94.8Very high0 Ų015 Ų150%010%0.097CC..EExtended strand (participates in β ladder)trans-118.2123.2-176.3-58.10000110.5L41 Y42 T43 S476 R556 K637 D639L41-T478 HydrophobicContact CB-CG2 3.68Å; L41-T478 HydrophobicContact CD2-CG2 4.44Å; Y42-T478 WeakPolarHBondContact O-CA 3.44Å; T43-T478 PolarHBondContact OG1-OG1 2.83Å; S476-T478 PolarHBondContact O-N 3.24Å; S476-T478 VanDerWaalsContact O-N 3.11Å; S476-T478 PolarHBondContact O-OG1 2.76Å; T478-R556 PolarHBondContact O-NH1 2.79Å; T478-R556 PolarHBondContact O-NH2 3.08Å; T478-K637 PolarHBondContact N-O 3.48Å; T478-D639 WeakPolarHBondContact OG1-CA 3.48Å
479L98.6Very high93.2Very high0 Ų017.4 Ų17.40%012%0.116CC..EExtended strand (participates in β ladder)trans-94.9140.2177-61.3-177000110.8L41 Y42 L44 M428 P444 C445 L470 I481L41-L479 CarbonylContact C-O 3.56Å; L41-L479 WeakPolarHBondContact CA-O 3.32Å; Y42-L479 PolarHBondContact N-O 2.74Å; Y42-L479 PolarHBondContact O-N 3.24Å; L44-L479 HydrophobicContact CD1-CD1 4.08Å; L44-L479 HydrophobicContact CD1-CG 4.12Å; L44-L479 HydrophobicContact CD2-CD1 3.89Å; L44-L479 HydrophobicContact CD2-CG 4.39Å; L44-L479 HydrophobicContact CG-CD1 4.24Å; L44-L479 HydrophobicContact CG-CG 4.26Å; M428-L479 HydrophobicContact CE-CD1 3.63Å; M428-L479 HydrophobicContact SD-CD1 4.5Å; P444-L479 HydrophobicContact CG-CD2 4.22Å; C445-L479 HydrophobicContact CB-CD2 4.36Å; L470-L479 HydrophobicContact CD2-CD1 3.75Å; L479-I481 HydrophobicContact CB-CD1 4.43Å; L479-I481 HydrophobicContact CB-CG1 4.28Å
480A98.8Very high91.2Very high0 Ų019.6 Ų19.60%014%0.137CC..EExtended strand (participates in β ladder)trans-89.9121.1167.100000108.8C40 L41 C441 I442 Y482 L553 R556C40-A480 CarbonylContact O-C 3.53Å; C40-A480 WeakPolarHBondContact O-CA 3.47Å; L41-A480 HydrophobicContact CD2-CB 4.12Å; C441-A480 CarbonylContact C-O 3.59Å; C441-A480 WeakPolarHBondContact CA-O 3.4Å; C441-A480 PolarHBondContact SG-O 3.29Å; I442-A480 HydrophobicContact CB-CB 4.36Å; I442-A480 PolarHBondContact N-O 2.96Å; I442-A480 WeakPolarHBondContact O-CB 3.27Å; I442-A480 PolarHBondContact O-N 3.22Å; A480-Y482 HydrophobicContact CB-CE2 3.78Å; A480-L553 HydrophobicContact CB-CD2 3.67Å; A480-R556 VanDerWaalsContact N-NH1 3.2Å
481I98.8Very high88.7Confident0 Ų026 Ų260%018%0.182CC..EExtended strand (participates in β ladder)trans-121.2127.8-177.6-58.1165.2000107.4G39 C40 Y42 M428 V430 L479 F483 F509G39-I481 CarbonylContact C-O 3.55Å; G39-I481 WeakPolarHBondContact CA-O 3.32Å; C40-I481 PolarHBondContact N-O 2.85Å; C40-I481 PolarHBondContact O-N 2.96Å; Y42-I481 HydrophobicContact CD1-CD1 4.34Å; M428-I481 HydrophobicContact CE-CD1 3.79Å; M428-I481 HydrophobicContact SD-CD1 4.37Å; V430-I481 HydrophobicContact CG2-CD1 4.27Å; L479-I481 HydrophobicContact CB-CD1 4.43Å; L479-I481 HydrophobicContact CB-CG1 4.28Å; I481-F483 HydrophobicContact CB-CE2 4.4Å; I481-F483 HydrophobicContact CB-CZ 4.28Å; I481-F483 HydrophobicContact CG2-CE1 4.01Å; I481-F483 HydrophobicContact CG2-CE2 4.03Å; I481-F483 HydrophobicContact CG2-CZ 3.58Å; I481-F509 HydrophobicContact CD1-CD1 3.93Å; I481-F509 HydrophobicContact CD1-CE1 3.44Å; I481-F509 VanDerWaalsContact CD1-CE1 3.44Å; I481-F509 HydrophobicContact CD1-CZ 4.48Å
482Y98.7Very high86.2Confident1 Ų129.9 Ų29.90%0.00422%0.223CC..EExtended strand (participates in β ladder)trans-111.3145-173.8-58.1-92.8000110.1P37 S439 G440 I442 V460 A480 L553 M557P37-Y482 HydrophobicContact CB-CD1 4.43Å; P37-Y482 HydrophobicContact CG-CD1 3.9Å; P37-Y482 HydrophobicContact CG-CE1 4.22Å; S439-Y482 PolarHBondContact N-O 3.33Å; G440-Y482 PolarHBondContact N-O 3.39Å; G440-Y482 PolarHBondContact O-N 2.74Å; I442-Y482 HydrophobicContact CB-CE2 4.05Å; I442-Y482 HydrophobicContact CD1-CE2 3.69Å; I442-Y482 HydrophobicContact CG1-CE2 3.76Å; V460-Y482 HydrophobicContact CB-CD2 4.23Å; V460-Y482 HydrophobicContact CB-CG 4.16Å; V460-Y482 HydrophobicContact CG1-CD1 4.08Å; V460-Y482 HydrophobicContact CG1-CD2 3.53Å; V460-Y482 HydrophobicContact CG1-CE1 4.45Å; V460-Y482 HydrophobicContact CG1-CE2 3.97Å; V460-Y482 HydrophobicContact CG1-CG 3.61Å; A480-Y482 HydrophobicContact CB-CE2 3.78Å; Y482-L553 HydrophobicContact CE1-CB 4.12Å; Y482-L553 HydrophobicContact CE1-CD2 3.85Å; Y482-L553 PolarHBondContact OH-O 2.84Å; Y482-M557 HydrophobicContact CD1-SD 4.13Å; Y482-M557 HydrophobicContact CE1-CG 3.65Å; Y482-M557 HydrophobicContact CE1-SD 3.55Å; Y482-M557 VanDerWaalsContact CE1-SD 3.55Å; Y482-M557 WeakPolarHBondContact OH-CG 3.33Å
483F98.4Very high83.7Confident3 Ų332 Ų321%0.01324%0.244CC..EExtended strand (participates in β ladder)trans-128.9155.1-175.4-53.3-86.7000111.1F19 I38 V430 T432 L436 K437 V438 S439 I481 V507 F509F19-F483 HydrophobicContact CE1-CD2 4.47Å; F19-F483 AromaticContact CE1-CE2 3.97Å; F19-F483 HydrophobicContact CE1-CE2 3.97Å; I38-F483 HydrophobicContact CB-CB 4.36Å; I38-F483 HydrophobicContact CG2-CB 4.22Å; I38-F483 HydrophobicContact CG2-CD2 4.26Å; I38-F483 PolarHBondContact O-N 2.99Å; V430-F483 HydrophobicContact CG1-CE1 3.95Å; V430-F483 HydrophobicContact CG1-CZ 4.44Å; T432-F483 HydrophobicContact CG2-CD1 4.19Å; T432-F483 HydrophobicContact CG2-CE1 4.09Å; L436-F483 HydrophobicContact CD1-CB 3.74Å; L436-F483 HydrophobicContact CD1-CG 4.5Å; L436-F483 HydrophobicContact CD2-CB 4.08Å; L436-F483 HydrophobicContact CD2-CD1 3.77Å; L436-F483 HydrophobicContact CD2-CE1 4.39Å; L436-F483 HydrophobicContact CD2-CG 3.94Å; L436-F483 HydrophobicContact CG-CB 3.89Å; L436-F483 HydrophobicContact CG-CD1 4.14Å; L436-F483 HydrophobicContact CG-CG 4.25Å; K437-F483 CarbonylContact O-C 3.6Å; K437-F483 WeakPolarHBondContact O-CA 3.21Å; K437-F483 WeakPolarHBondContact O-CB 3.47Å; V438-F483 HydrophobicContact CG2-CD1 4.26Å; V438-F483 HydrophobicContact CG2-CE1 4.17Å; S439-F483 VanDerWaalsContact OG-C 3.25Å; I481-F483 HydrophobicContact CB-CE2 4.4Å; I481-F483 HydrophobicContact CB-CZ 4.28Å; I481-F483 HydrophobicContact CG2-CE1 4.01Å; I481-F483 HydrophobicContact CG2-CE2 4.03Å; I481-F483 HydrophobicContact CG2-CZ 3.58Å; F483-V507 HydrophobicContact CE1-CG1 4Å; F483-V507 HydrophobicContact CE1-CG2 4.07Å; F483-V507 HydrophobicContact CZ-CG1 3.93Å; F483-V507 HydrophobicContact CZ-CG2 4.16Å; F483-F509 HydrophobicContact CZ-CZ 4.37Å
484E95.8Very high81.7Confident14 Ų1435.1 Ų35.17%0.06528%0.277CS..EExtended strand (participates in β ladder)trans-124.8146.2169.566.2174.4175.400110.5R28 K437 S439 G456 E457 Q458R28-E484 IonicContact NH2-OE2 3.89Å; K437-E484 HydrophobicContact CB-CG 3.84Å; K437-E484 PolarHBondContact N-O 3.37Å; K437-E484 PolarHBondContact O-N 3.39Å; S439-E484 PolarHBondContact OG-N 3.08Å; G456-E484 VanDerWaalsContact C-OE1 3.29Å; G456-E484 WeakPolarHBondContact CA-OE1 3.28Å; E457-E484 PolarHBondContact N-OE1 3.2Å; Q458-E484 WeakPolarHBondContact CB-OE2 3.37Å; Q458-E484 PolarHBondContact N-OE1 2.61Å; Q458-E484 PolarHBondContact N-OE2 2.7Å
485V94.8Very high79.7Confident2 Ų236.3 Ų36.31%0.01228%0.284CS..EExtended strand (participates in β ladder)trans-80.1120.8173-179.20000108.6P25 I38 L436 W531P25-V485 HydrophobicContact CG-CG2 4.41Å; P25-V485 WeakPolarHBondContact O-CG2 3.5Å; I38-V485 HydrophobicContact CD1-CG2 3.53Å; L436-V485 HydrophobicContact CD1-CG2 4.5Å; V485-W531 HydrophobicContact CG1-CZ3 4.36Å; V485-W531 HydrophobicContact CG2-CZ3 4.11Å
486A91Very high78.1Confident44 Ų4442.7 Ų42.736%0.36431%0.312SS..  trans-84.4-20.6-179.900000113.4E435 K437 S488E435-A486 PolarHBondContact O-N 2.83Å; K437-A486 HydrophobicContact CG-CB 3.83Å; A486-S488 PolarHBondContact O-N 2.85Å
487T86Confident76.7Confident40 Ų4046.3 Ų46.325%0.24533%0.328CS..PPolyproline II helixtrans-68.5120179.6-52.20000110.1I26 S27 R28I26-T487 VanDerWaalsContact O-CB 3.29Å; I26-T487 WeakPolarHBondContact O-CB 3.34Å; S27-T487 WeakPolarHBondContact CA-O 3.39Å; R28-T487 PolarHBondContact N-O 3.42Å
488S75.2Confident74.9Confident91 Ų9146.9 Ų46.964%0.63633%0.331SS*.PPolyproline II helixtrans-84.8141.5173.4-63.60000110A486 S490A486-S488 PolarHBondContact O-N 2.85Å; S488-S490 PolarHBondContact O-N 3.08Å
489A64.3Low72.9Confident49 Ų4952.6 Ų52.641%0.40537%0.368SS..PPolyproline II helixtrans-65.5127.3173.800000109.9S491A489-S491 PolarHBondContact O-N 3.34Å
490S54.7Low70.9Confident79 Ų7954.9 Ų54.955%0.55239%0.392SS*.PPolyproline II helixtrans-71.6125.4168.946.80000109.5S488 G492 G493S488-S490 PolarHBondContact O-N 3.08Å; S490-G492 PolarHBondContact O-N 3.23Å; S490-G493 PolarHBondContact OG-O 3.28Å
491S44.5Very low69.2Low136 Ų13655.2 Ų55.295%0.95139%0.394SS*.THydrogen-bonded Turntrans-7036.1-170.155.30000116.3A489A489-S491 PolarHBondContact O-N 3.34Å
492G46.7Very low67.9Low84 Ų8461.6 Ų61.687%0.86643%0.428SS*.THydrogen-bonded Turntrans17013.1178.200000118.2S490S490-G492 PolarHBondContact O-N 3.23Å
493G42.8Very low67.3Low45 Ų4562 Ų6246%0.46443%0.433SS..SBendtrans-142.3137.817600000109.5S490 V495S490-G493 PolarHBondContact OG-O 3.28Å; G493-V495 PolarHBondContact O-N 3.25Å
494G54.1Low67Low70 Ų7066.8 Ų66.872%0.72245%0.451SS*.  trans-44.3134.517900000110.9Q496G494-Q496 PolarHBondContact O-N 2.89Å
495V53Low66.9Low43 Ų4366.1 Ų66.126%0.26145%0.448SS..  trans-64.2109.9-170.2-171.60000108.7I26 G493 I497I26-V495 HydrophobicContact CB-CG1 3.92Å; I26-V495 HydrophobicContact CD1-CB 3.29Å; I26-V495 HydrophobicContact CD1-CG1 3.26Å; I26-V495 HydrophobicContact CD1-CG2 3.9Å; I26-V495 HydrophobicContact CG1-CB 4.07Å; I26-V495 HydrophobicContact CG1-CG1 3.59Å; I26-V495 HydrophobicContact CG1-CG2 4.4Å; G493-V495 PolarHBondContact O-N 3.25Å; V495-I497 PolarHBondContact O-N 3.44Å
496Q57.5Low67Low166 Ų16666.8 Ų66.878%0.77645%0.45SS*.  trans-72.5130.5175.9-70.7-172.7-21.600108.6G494G494-Q496 PolarHBondContact O-N 2.89Å
497I62.4Low67.4Low105 Ų10564.7 Ų64.754%0.53843%0.433SS..  trans-44.2127.1165.8-67.5173.6000107.8V495 P499 G503V495-I497 PolarHBondContact O-N 3.44Å; I497-P499 WeakPolarHBondContact O-CD 3.35Å; I497-P499 VanDerWaalsContact O-N 3.07Å; I497-G503 VanDerWaalsContact CG2-CA 3.45Å
498P59.7Low67.9Low12 Ų1262.8 Ų62.88%0.07842%0.421CS..  trans-50.5119.2-173.8-28.633.9000110.9E435 G500 S501E435-P498 HydrophobicContact CG-CB 3.62Å; E435-P498 HydrophobicContact CG-CG 3.76Å; P498-G500 PolarHBondContact O-N 3.11Å; P498-S501 WeakPolarHBondContact O-CB 3.43Å; P498-S501 PolarHBondContact O-N 2.89Å; P498-S501 VanDerWaalsContact O-N 3.13Å; P498-S501 PolarHBondContact O-OG 3.47Å
499P54.5Low69.1Low121 Ų12158.4 Ų58.479%0.78639%0.391SS*.THydrogen-bonded Turntrans-59.1126.9-172.916.5-27.6000111.2I497I497-P499 WeakPolarHBondContact O-CD 3.35Å; I497-P499 VanDerWaalsContact O-N 3.07Å
500G58.2Low70.6Confident48 Ų4856.3 Ų56.350%0.49537%0.373SS..THydrogen-bonded Turntrans91.9-0.9-178.700000116.1N87 P498N87-G500 PolarHBondContact ND2-O 3.04Å; N87-G500 PolarHBondContact OD1-O 3.1Å; P498-G500 PolarHBondContact O-N 3.11Å
501S62.4Low72.6Confident6 Ų652.5 Ų52.54%0.04235%0.346CS..SBendtrans-87.2-4.1179.465.30000115.1P498 G503 R504P498-S501 WeakPolarHBondContact O-CB 3.43Å; P498-S501 PolarHBondContact O-N 2.89Å; P498-S501 VanDerWaalsContact O-N 3.13Å; P498-S501 PolarHBondContact O-OG 3.47Å; S501-G503 PolarHBondContact O-N 3.15Å; S501-G503 PolarHBondContact OG-N 2.96Å; S501-R504 WeakPolarHBondContact CB-O 3.49Å; S501-R504 PolarHBondContact O-N 3.46Å
502N71.3Confident75Confident134 Ų13447.9 Ų47.972%0.71731%0.31SS*.THydrogen-bonded Turntrans47.924.8-165.1-69.5-9.9000113.3
503G85.9Confident77.3Confident10 Ų1044 Ų4410%0.10327%0.269CS..THydrogen-bonded Turntrans76.614.7-174.900000115.3I497 S501 N530 W531I497-G503 VanDerWaalsContact CG2-CA 3.45Å; S501-G503 PolarHBondContact O-N 3.15Å; S501-G503 PolarHBondContact OG-N 2.96Å; G503-N530 WeakPolarHBondContact O-CA 3.44Å; G503-W531 PolarHBondContact O-N 3.09Å
504R91.8Very high79.6Confident103 Ų10342.2 Ų42.239%0.38925%0.248SC..EExtended strand (participates in β ladder)trans-125.4141.2-177.3-69.3-179.1-178.7177.37112.9S501 Y506 R529 N530 W531S501-R504 WeakPolarHBondContact CB-O 3.49Å; S501-R504 PolarHBondContact O-N 3.46Å; R504-Y506 HydrophobicContact CB-CE1 4.45Å; R504-Y506 HydrophobicContact CB-CE2 4Å; R504-R529 CarbonylContact C-O 3.58Å; R504-R529 VanDerWaalsContact CA-O 3.29Å; R504-R529 WeakPolarHBondContact CA-O 3.33Å; R504-N530 VanDerWaalsContact CG-OD1 3.27Å; R504-N530 WeakPolarHBondContact CG-OD1 3.44Å; R504-N530 PolarHBondContact NE-OD1 3.02Å; R504-W531 PolarHBondContact O-NE1 2.67Å
505G94.3Very high81.3Confident0 Ų041.3 Ų41.30%022%0.223CC..EExtended strand (participates in β ladder)trans-95.9152164.900000110W24 C528 R529 W531W24-G505 VanDerWaalsContact CZ3-C 3.46Å; G505-C528 WeakPolarHBondContact O-CA 3.42Å; G505-C528 WeakPolarHBondContact O-CB 3Å; G505-R529 PolarHBondContact N-O 3.08Å; G505-R529 PolarHBondContact O-N 2.81Å; G505-W531 VanDerWaalsContact CA-NE1 3.34Å; G505-W531 VanDerWaalsContact N-NE1 3.12Å
506Y97.1Very high82.9Confident16 Ų1639.6 Ų39.66%0.06321%0.213CC..EExtended strand (participates in β ladder)trans-129142.3-176.5-60.5-85.1000111.2Y71 C84 T432 S433 R504 V527 C528Y71-Y506 HydrophobicContact CD1-CE1 4.39Å; Y71-Y506 HydrophobicContact CD2-CD1 4.42Å; Y71-Y506 HydrophobicContact CD2-CE1 4.49Å; Y71-Y506 HydrophobicContact CG-CD1 4.31Å; Y71-Y506 AromaticContact CG-CE1 3.93Å; Y71-Y506 HydrophobicContact CG-CE1 3.93Å; C84-Y506 HydrophobicContact CB-CD1 4.18Å; C84-Y506 HydrophobicContact CB-CD2 4.19Å; C84-Y506 HydrophobicContact CB-CE1 4.12Å; C84-Y506 HydrophobicContact CB-CE2 4.11Å; C84-Y506 HydrophobicContact CB-CG 4.23Å; C84-Y506 VanDerWaalsContact O-CD2 3.31Å; C84-Y506 WeakPolarHBondContact O-CD2 3.19Å; T432-Y506 CarbonylContact C-O 3.53Å; T432-Y506 VanDerWaalsContact CA-O 3.28Å; T432-Y506 WeakPolarHBondContact CA-O 3.15Å; S433-Y506 PolarHBondContact N-O 3.1Å; S433-Y506 PolarHBondContact OG-N 2.6Å; R504-Y506 HydrophobicContact CB-CE1 4.45Å; R504-Y506 HydrophobicContact CB-CE2 4Å; Y506-V527 WeakPolarHBondContact CA-O 3.49Å; Y506-C528 HydrophobicContact CD1-CB 3.43Å; Y506-C528 VanDerWaalsContact CD1-CB 3.43Å; Y506-C528 HydrophobicContact CE1-CB 3.46Å; Y506-C528 VanDerWaalsContact CE1-CB 3.46Å; Y506-C528 HydrophobicContact CG-CB 4.34Å
507V98.3Very high84.3Confident0 Ų034 Ų340%019%0.189CC..EExtended strand (participates in β ladder)trans-128.8131.9169.6-1760000108.3W24 V430 K431 T432 L436 F483 F509 T526 V527W24-V507 HydrophobicContact CH2-CG2 3.79Å; W24-V507 HydrophobicContact CZ3-CG2 4.47Å; V430-V507 HydrophobicContact CG1-CG1 3.83Å; K431-V507 CarbonylContact O-C 3.57Å; K431-V507 WeakPolarHBondContact O-CA 3.2Å; T432-V507 HydrophobicContact CG2-CG2 4.27Å; L436-V507 HydrophobicContact CD2-CG2 3.65Å; F483-V507 HydrophobicContact CE1-CG1 4Å; F483-V507 HydrophobicContact CE1-CG2 4.07Å; F483-V507 HydrophobicContact CZ-CG1 3.93Å; F483-V507 HydrophobicContact CZ-CG2 4.16Å; V507-F509 HydrophobicContact CB-CE2 4.27Å; V507-F509 HydrophobicContact CB-CZ 4.4Å; V507-F509 HydrophobicContact CG1-CD2 4.24Å; V507-F509 HydrophobicContact CG1-CE1 3.96Å; V507-F509 HydrophobicContact CG1-CE2 3.56Å; V507-F509 HydrophobicContact CG1-CZ 3.39Å; V507-T526 WeakPolarHBondContact O-CA 3.47Å; V507-V527 HydrophobicContact CB-CG2 3.95Å; V507-V527 PolarHBondContact N-O 3.04Å; V507-V527 PolarHBondContact O-N 3.24Å
508Q98.4Very high85.4Confident0 Ų029.2 Ų29.20%017%0.165CC..EExtended strand (participates in β ladder)trans-123.6119.7174.4-179.1174.880.500109.8I67 N69 L85 K431 V510 V524 T525 T526I67-Q508 PolarHBondContact O-NE2 3.45Å; N69-Q508 PolarHBondContact ND2-NE2 2.73Å; L85-Q508 HydrophobicContact CD1-CB 4.02Å; L85-Q508 HydrophobicContact CD2-CB 4.34Å; K431-Q508 HydrophobicContact CB-CB 4.39Å; K431-Q508 PolarHBondContact N-O 3.22Å; K431-Q508 PolarHBondContact O-N 3.04Å; Q508-V510 HydrophobicContact CG-CG2 3.91Å; Q508-V524 HydrophobicContact CG-CG1 3.91Å; Q508-T525 CarbonylContact C-O 3.58Å; Q508-T525 WeakPolarHBondContact CA-O 3.38Å; Q508-T526 HydrophobicContact CB-CG2 4.2Å; Q508-T526 PolarHBondContact NE2-OG1 2.89Å
509F98.3Very high86.7Confident0 Ų031.9 Ų31.90%018%0.176CC..EExtended strand (participates in β ladder)trans-93.1122.8172-53.1-88.4000108.3I17 Y42 M428 V430 I481 F483 V507 V524 T525 V527I17-F509 HydrophobicContact CD1-CD2 4.45Å; I17-F509 HydrophobicContact CD1-CE2 3.43Å; I17-F509 VanDerWaalsContact CD1-CE2 3.43Å; I17-F509 HydrophobicContact CD1-CZ 3.73Å; Y42-F509 HydrophobicContact CD1-CB 4.33Å; Y42-F509 AromaticContact CD1-CD1 3.7Å; Y42-F509 HydrophobicContact CD1-CD1 3.7Å; Y42-F509 HydrophobicContact CD1-CE1 4.23Å; Y42-F509 AromaticContact CD1-CG 3.96Å; Y42-F509 HydrophobicContact CD1-CG 3.96Å; Y42-F509 HydrophobicContact CD2-CD2 4.29Å; Y42-F509 HydrophobicContact CD2-CE2 4.49Å; Y42-F509 HydrophobicContact CD2-CG 4.37Å; Y42-F509 HydrophobicContact CE1-CB 3.62Å; Y42-F509 AromaticContact CE1-CD1 3.88Å; Y42-F509 HydrophobicContact CE1-CD1 3.88Å; Y42-F509 AromaticContact CE1-CG 3.74Å; Y42-F509 HydrophobicContact CE1-CG 3.74Å; Y42-F509 HydrophobicContact CE2-CB 4.37Å; Y42-F509 HydrophobicContact CE2-CD2 4.17Å; Y42-F509 HydrophobicContact CE2-CG 4.19Å; Y42-F509 HydrophobicContact CG-CD1 4.09Å; Y42-F509 HydrophobicContact CG-CE1 4.26Å; Y42-F509 HydrophobicContact CG-CG 4.27Å; Y42-F509 AromaticContact CZ-CG 3.86Å; M428-F509 HydrophobicContact SD-CD1 4.12Å; V430-F509 HydrophobicContact CG1-CD1 4.42Å; V430-F509 HydrophobicContact CG1-CE1 4.16Å; V430-F509 HydrophobicContact CG2-CD1 3.68Å; V430-F509 HydrophobicContact CG2-CE1 3.93Å; I481-F509 HydrophobicContact CD1-CD1 3.93Å; I481-F509 HydrophobicContact CD1-CE1 3.44Å; I481-F509 VanDerWaalsContact CD1-CE1 3.44Å; I481-F509 HydrophobicContact CD1-CZ 4.48Å; F483-F509 HydrophobicContact CZ-CZ 4.37Å; V507-F509 HydrophobicContact CB-CE2 4.27Å; V507-F509 HydrophobicContact CB-CZ 4.4Å; V507-F509 HydrophobicContact CG1-CD2 4.24Å; V507-F509 HydrophobicContact CG1-CE1 3.96Å; V507-F509 HydrophobicContact CG1-CE2 3.56Å; V507-F509 HydrophobicContact CG1-CZ 3.39Å; F509-V524 WeakPolarHBondContact O-CA 3.11Å; F509-T525 HydrophobicContact CD2-CG2 4.2Å; F509-T525 PolarHBondContact N-O 2.98Å; F509-T525 PolarHBondContact O-N 2.82Å; F509-V527 HydrophobicContact CE2-CG2 4.24Å
510V97.7Very high88.4Confident4 Ų430.7 Ų30.72%0.02416%0.156CC..EExtended strand (participates in β ladder)trans-118.3100.7178.5-176.70000108.3I67 M428 E429 Q508 L522I67-V510 HydrophobicContact CD1-CG1 3.85Å; I67-V510 HydrophobicContact CD1-CG2 4.17Å; M428-V510 CarbonylContact C-O 3.53Å; M428-V510 VanDerWaalsContact CA-O 3.31Å; M428-V510 WeakPolarHBondContact CA-O 3.41Å; E429-V510 PolarHBondContact N-O 3.18Å; E429-V510 PolarHBondContact O-N 3.37Å; Q508-V510 HydrophobicContact CG-CG2 3.91Å; V510-L522 HydrophobicContact CG1-CD1 3.71Å; V510-L522 HydrophobicContact CG1-CG 4.43Å
511T96.6Very high90Very high0 Ų029.3 Ų29.30%014%0.137CC..EExtended strand (participates in β ladder)trans-109.9107.3-175.3-56.30000110Q427 M428 L470 Y513 L522 R523Q427-T511 WeakPolarHBondContact O-CA 3.22Å; M428-T511 HydrophobicContact CB-CG2 4.47Å; M428-T511 WeakPolarHBondContact CG-OG1 3.32Å; L470-T511 HydrophobicContact CD1-CG2 3.97Å; T511-Y513 HydrophobicContact CG2-CD1 4.22Å; T511-L522 CarbonylContact O-C 3.54Å; T511-L522 WeakPolarHBondContact O-CA 3.33Å; T511-R523 PolarHBondContact N-O 3.33Å; T511-R523 PolarHBondContact O-N 3.4Å
512Q94.4Very high91.5Very high38 Ų3829 Ų2918%0.17814%0.135CC..EExtended strand (participates in β ladder)trans-90.8136.2168.6-176.4177.114.700109.1I119 V231 G426 Q427 K521 L522I119-Q512 HydrophobicContact CD1-CG 4.06Å; V231-Q512 HydrophobicContact CG1-CB 3.57Å; V231-Q512 PolarHBondContact O-OE1 2.79Å; V231-Q512 VanDerWaalsContact O-OE1 3.07Å; G426-Q512 CarbonylContact C-O 3.52Å; G426-Q512 WeakPolarHBondContact CA-O 3.46Å; Q427-Q512 PolarHBondContact N-O 3Å; Q427-Q512 PolarHBondContact O-N 2.87Å; Q512-K521 WeakPolarHBondContact CA-O 3.37Å; Q512-L522 HydrophobicContact CB-CD1 3.88Å
513Y93.9Very high92.6Very high3 Ų322.9 Ų22.91%0.01210%0.101CC..EExtended strand (participates in β ladder)trans-158.817017970-78.9000112.7F45 E116 F473 T511 R515 R520 K521 R523F45-Y513 HydrophobicContact CD2-CE2 4.38Å; F45-Y513 HydrophobicContact CE2-CE2 4.32Å; F45-Y513 WeakPolarHBondContact CE2-OH 3.32Å; E116-Y513 PolarHBondContact OE1-OH 3.31Å; E116-Y513 PolarHBondContact OE2-OH 2.75Å; F473-Y513 HydrophobicContact CE2-CD2 4.21Å; F473-Y513 HydrophobicContact CE2-CG 4.36Å; F473-Y513 HydrophobicContact CZ-CD1 4.25Å; F473-Y513 AromaticContact CZ-CD2 3.71Å; F473-Y513 HydrophobicContact CZ-CD2 3.71Å; F473-Y513 HydrophobicContact CZ-CE2 4.45Å; F473-Y513 AromaticContact CZ-CG 3.59Å; F473-Y513 HydrophobicContact CZ-CG 3.59Å; T511-Y513 HydrophobicContact CG2-CD1 4.22Å; Y513-R515 HydrophobicContact CE2-CG 3.73Å; Y513-R520 CarbonylContact O-C 3.59Å; Y513-R520 WeakPolarHBondContact O-CA 3.35Å; Y513-K521 HydrophobicContact CD1-CB 4.05Å; Y513-K521 HydrophobicContact CE1-CB 3.56Å; Y513-K521 HydrophobicContact CE1-CG 4.46Å; Y513-K521 HydrophobicContact CE2-CB 4.27Å; Y513-K521 HydrophobicContact CE2-CG 4.45Å; Y513-K521 PolarHBondContact N-O 2.86Å; Y513-K521 PolarHBondContact O-N 3.32Å; Y513-R523 HydrophobicContact CE1-CB 4.09Å
514Q91.7Very high93.1Very high7 Ų722.6 Ų22.63%0.03310%0.098CC..EExtended strand (participates in β ladder)trans-103.1127.7172.9174.8-177.6-18.100109.1V125 L424 Q519V125-Q514 PolarHBondContact O-NE2 3.21Å; L424-Q514 HydrophobicContact CB-CB 4.48Å; L424-Q514 PolarHBondContact N-O 2.92Å; L424-Q514 WeakPolarHBondContact O-CA 3.38Å; L424-Q514 WeakPolarHBondContact O-CB 3.42Å; L424-Q514 PolarHBondContact O-N 2.86Å; Q514-Q519 CarbonylContact C-O 3.02Å; Q514-Q519 WeakPolarHBondContact CA-O 3.29Å
515R89.7Confident93.3Very high52 Ų5217.7 Ų17.720%0.1968%0.079CC..EExtended strand (participates in β ladder)trans-74.6157.8166.6-80.3-168.1174.9-129.83.6110.3E116 D415 Y513 N517 G518 Q519 K521E116-R515 IonicContact OE1-CZ 3.49Å; E116-R515 IonicContact OE1-NE 2.77Å; E116-R515 PolarHBondContact OE1-NE 3.26Å; E116-R515 IonicContact OE1-NH2 3.31Å; E116-R515 PolarHBondContact OE1-NH2 3.15Å; E116-R515 IonicContact OE2-NH2 3.69Å; D415-R515 IonicContact OD2-NH1 3.91Å; Y513-R515 HydrophobicContact CE2-CG 3.73Å; R515-N517 WeakPolarHBondContact CB-OD1 3.4Å; R515-N517 PolarHBondContact O-N 3.17Å; R515-G518 WeakPolarHBondContact O-CA 3.48Å; R515-G518 PolarHBondContact O-N 3.04Å; R515-Q519 PolarHBondContact N-O 2.91Å; R515-K521 HydrophobicContact CG-CG 3.89Å
516A87.2Confident93.5Very high6 Ų617.8 Ų17.85%0.058%0.08CC..THydrogen-bonded Turntrans-56-24178.800000114.6P127 F420 M422 G518P127-A516 VanDerWaalsContact CD-O 3.24Å; P127-A516 WeakPolarHBondContact CD-O 3.32Å; P127-A516 WeakPolarHBondContact CG-O 3.48Å; F420-A516 HydrophobicContact CB-CB 3.65Å; F420-A516 HydrophobicContact CD2-CB 4.21Å; F420-A516 HydrophobicContact CG-CB 4.39Å; F420-A516 WeakPolarHBondContact O-CB 3.42Å; M422-A516 HydrophobicContact CG-CB 3.99Å; A516-G518 PolarHBondContact O-N 3.45Å
517N86.1Confident93.5Very high50 Ų5017 Ų1727%0.2678%0.077SC..THydrogen-bonded Turntrans-815.6173.767.34.3000114.3R515 Q519R515-N517 WeakPolarHBondContact CB-OD1 3.4Å; R515-N517 PolarHBondContact O-N 3.17Å; N517-Q519 VanDerWaalsContact C-N 3.35Å; N517-Q519 PolarHBondContact O-N 3.38Å; N517-Q519 WeakPolarHBondContact OD1-CB 3.33Å; N517-Q519 WeakPolarHBondContact OD1-CG 3.2Å; N517-Q519 PolarHBondContact OD1-N 2.97Å
518G85.2Confident93.4Very high3 Ų317.7 Ų17.73%0.0318%0.081CC..SBendtrans86.4-8.1-18000000115.4L124 V125 R515 A516L124-G518 WeakPolarHBondContact CD2-O 3.47Å; V125-G518 WeakPolarHBondContact O-CA 3.4Å; R515-G518 WeakPolarHBondContact O-CA 3.48Å; R515-G518 PolarHBondContact O-N 3.04Å; A516-G518 PolarHBondContact O-N 3.45Å
519Q87.7Confident93.2Very high68 Ų6818 Ų1832%0.3188%0.082SC..  trans-67.7136.2178-69.3-175.4-20.400111.1L124 Q514 R515 N517 K521L124-Q519 HydrophobicContact CD2-CB 4.38Å; L124-Q519 HydrophobicContact CD2-CG 3.89Å; Q514-Q519 CarbonylContact C-O 3.02Å; Q514-Q519 WeakPolarHBondContact CA-O 3.29Å; R515-Q519 PolarHBondContact N-O 2.91Å; N517-Q519 VanDerWaalsContact C-N 3.35Å; N517-Q519 PolarHBondContact O-N 3.38Å; N517-Q519 WeakPolarHBondContact OD1-CB 3.33Å; N517-Q519 WeakPolarHBondContact OD1-CG 3.2Å; N517-Q519 PolarHBondContact OD1-N 2.97Å; Q519-K521 VanDerWaalsContact OE1-CE 3.31Å
520R90Very high93Very high97 Ų9721.9 Ų21.937%0.36610%0.103SC..EExtended strand (participates in β ladder)trans-86.5130.1169.2-71.8-159.7-176.4175.9-5.4111.1I119 V122 Y513I119-R520 HydrophobicContact CB-CB 4.2Å; I119-R520 HydrophobicContact CD1-CB 4.06Å; I119-R520 PolarHBondContact N-O 3.39Å; V122-R520 HydrophobicContact CB-CG 4.39Å; V122-R520 HydrophobicContact CG1-CG 3.96Å; V122-R520 HydrophobicContact CG2-CB 4.33Å; V122-R520 HydrophobicContact CG2-CG 4.48Å; Y513-R520 CarbonylContact O-C 3.59Å; Y513-R520 WeakPolarHBondContact O-CA 3.35Å
521K91.2Very high92.8Very high19 Ų1922.1 Ų22.18%0.08310%0.104CC..EExtended strand (participates in β ladder)trans-117.9151.6178.5-60.6-63.8-178.5170.20110.1E116 Y117 T118 Q512 Y513 R515 Q519E116-K521 HydrophobicContact CG-CB 4.11Å; E116-K521 HydrophobicContact CG-CD 4.16Å; E116-K521 HydrophobicContact CG-CG 4.37Å; Y117-K521 CarbonylContact O-C 3.59Å; Y117-K521 VanDerWaalsContact O-CA 3.28Å; Y117-K521 WeakPolarHBondContact O-CA 3.37Å; T118-K521 PolarHBondContact OG1-NZ 3.41Å; Q512-K521 WeakPolarHBondContact CA-O 3.37Å; Y513-K521 HydrophobicContact CD1-CB 4.05Å; Y513-K521 HydrophobicContact CE1-CB 3.56Å; Y513-K521 HydrophobicContact CE1-CG 4.46Å; Y513-K521 HydrophobicContact CE2-CB 4.27Å; Y513-K521 HydrophobicContact CE2-CG 4.45Å; Y513-K521 PolarHBondContact N-O 2.86Å; Y513-K521 PolarHBondContact O-N 3.32Å; R515-K521 HydrophobicContact CG-CG 3.89Å; Q519-K521 VanDerWaalsContact OE1-CE 3.31Å
522L94.2Very high92.5Very high0 Ų022.8 Ų22.80%011%0.107CC..EExtended strand (participates in β ladder)trans-123.1110.3166-175.974.7000107.2P58 I67 E116 Y117 I119 Y232 V510 T511 Q512 V524P58-L522 HydrophobicContact CB-CD2 4.35Å; P58-L522 HydrophobicContact CG-CD2 3.68Å; I67-L522 HydrophobicContact CD1-CD2 3.77Å; E116-L522 WeakPolarHBondContact CA-O 3.47Å; Y117-L522 WeakPolarHBondContact CD2-O 3.43Å; Y117-L522 PolarHBondContact N-O 2.95Å; Y117-L522 PolarHBondContact O-N 3.17Å; I119-L522 HydrophobicContact CD1-CB 4.24Å; I119-L522 HydrophobicContact CG1-CB 4.31Å; Y232-L522 HydrophobicContact CD2-CD2 4.29Å; Y232-L522 HydrophobicContact CG-CD2 4.41Å; V510-L522 HydrophobicContact CG1-CD1 3.71Å; V510-L522 HydrophobicContact CG1-CG 4.43Å; T511-L522 CarbonylContact O-C 3.54Å; T511-L522 WeakPolarHBondContact O-CA 3.33Å; Q512-L522 HydrophobicContact CB-CD1 3.88Å; L522-V524 HydrophobicContact CD2-CG2 4.27Å; L522-V524 HydrophobicContact CG-CG2 4.16Å
523R94.5Very high92.2Very high4 Ų422.1 Ų22.12%0.01510%0.104CC..EExtended strand (participates in β ladder)trans-97.4130.3174.2-175.6170.6-179.9147.5-3.6109.3L44 K46 T114 L115 T511 Y513L44-R523 WeakPolarHBondContact O-CD 3.4Å; K46-R523 VanDerWaalsContact O-CZ 3.3Å; K46-R523 PolarHBondContact O-NH1 3.43Å; K46-R523 PolarHBondContact O-NH2 3.36Å; T114-R523 HydrophobicContact CG2-CG 4.27Å; L115-R523 CarbonylContact O-C 3.54Å; L115-R523 WeakPolarHBondContact O-CA 3.5Å; T511-R523 PolarHBondContact N-O 3.33Å; T511-R523 PolarHBondContact O-N 3.4Å; Y513-R523 HydrophobicContact CE1-CB 4.09Å
524V96.1Very high91.7Very high5 Ų522.2 Ų22.23%0.0311%0.105CC..EExtended strand (participates in β ladder)trans-124.8118.6-178.6-174.50000107.8I67 T114 L115 Y117 Q508 F509 L522I67-V524 HydrophobicContact CB-CG1 4.15Å; I67-V524 HydrophobicContact CB-CG2 4.47Å; I67-V524 HydrophobicContact CD1-CG1 4.39Å; I67-V524 HydrophobicContact CD1-CG2 3.46Å; I67-V524 VanDerWaalsContact CD1-CG2 3.46Å; I67-V524 HydrophobicContact CG2-CG1 4.34Å; I67-V524 HydrophobicContact CG2-CG2 4.3Å; T114-V524 CarbonylContact C-O 3.5Å; T114-V524 VanDerWaalsContact CA-O 3.24Å; T114-V524 WeakPolarHBondContact CA-O 3.47Å; L115-V524 PolarHBondContact N-O 3.11Å; L115-V524 PolarHBondContact O-N 3.36Å; Y117-V524 HydrophobicContact CD2-CG2 4.19Å; Y117-V524 HydrophobicContact CE2-CB 4.34Å; Y117-V524 HydrophobicContact CE2-CG2 3.83Å; Q508-V524 HydrophobicContact CG-CG1 3.91Å; F509-V524 WeakPolarHBondContact O-CA 3.11Å; L522-V524 HydrophobicContact CD2-CG2 4.27Å; L522-V524 HydrophobicContact CG-CG2 4.16Å
525T97.2Very high91.2Very high0 Ų027 Ų270%014%0.136CC..EExtended strand (participates in β ladder)trans-116.6120173.6-64.80000107.9D15 Y42 T114 Q508 F509 V527D15-T525 HydrophobicContact CB-CG2 3.84Å; Y42-T525 HydrophobicContact CE2-CG2 4Å; Y42-T525 PolarHBondContact OH-OG1 3.43Å; Y42-T525 VanDerWaalsContact OH-OG1 3.14Å; T114-T525 WeakPolarHBondContact CG2-OG1 3.38Å; T114-T525 WeakPolarHBondContact OG1-CB 3.19Å; T114-T525 VanDerWaalsContact OG1-CG2 3.27Å; T114-T525 WeakPolarHBondContact OG1-CG2 3.39Å; T114-T525 PolarHBondContact OG1-OG1 2.89Å; Q508-T525 CarbonylContact C-O 3.58Å; Q508-T525 WeakPolarHBondContact CA-O 3.38Å; F509-T525 HydrophobicContact CD2-CG2 4.2Å; F509-T525 PolarHBondContact N-O 2.98Å; F509-T525 PolarHBondContact O-N 2.82Å; T525-V527 HydrophobicContact CG2-CG1 4.28Å
526T97.9Very high91.1Very high1 Ų129.4 Ų29.41%0.00616%0.156CC..EExtended strand (participates in β ladder)trans-114.6135.2173.8-47.20000109.2N69 Y71 T113 V507 Q508N69-T526 HydrophobicContact CB-CG2 4.35Å; Y71-T526 HydrophobicContact CD2-CG2 3.72Å; Y71-T526 HydrophobicContact CE2-CG2 4.06Å; Y71-T526 WeakPolarHBondContact CE2-O 3.47Å; T113-T526 PolarHBondContact O-N 3.08Å; V507-T526 WeakPolarHBondContact O-CA 3.47Å; Q508-T526 HydrophobicContact CB-CG2 4.2Å; Q508-T526 PolarHBondContact NE2-OG1 2.89Å
527V97Very high91.2Very high1 Ų133 Ų331%0.00617%0.172CC..EExtended strand (participates in β ladder)trans-134.7157.2177.2-65.20000110.3D15 I17 F19 Y506 V507 F509 T525D15-V527 HydrophobicContact CB-CG1 4.4Å; I17-V527 HydrophobicContact CD1-CG1 4.41Å; I17-V527 HydrophobicContact CD1-CG2 4.12Å; I17-V527 HydrophobicContact CG2-CG1 3.95Å; F19-V527 HydrophobicContact CE2-CG2 3.84Å; F19-V527 HydrophobicContact CZ-CG2 3.91Å; Y506-V527 WeakPolarHBondContact CA-O 3.49Å; V507-V527 HydrophobicContact CB-CG2 3.95Å; V507-V527 PolarHBondContact N-O 3.04Å; V507-V527 PolarHBondContact O-N 3.24Å; F509-V527 HydrophobicContact CE2-CG2 4.24Å; T525-V527 HydrophobicContact CG2-CG1 4.28Å
528C95.7Very high91.5Very high13 Ų1333.3 Ų33.39%0.08817%0.173CC..EExtended strand (participates in β ladder)trans-134.7153.5173.370.40000112.1Y71 G505 Y506Y71-C528 VanDerWaalsContact CE1-SG 3.55Å; G505-C528 WeakPolarHBondContact O-CA 3.42Å; G505-C528 WeakPolarHBondContact O-CB 3Å; Y506-C528 HydrophobicContact CD1-CB 3.43Å; Y506-C528 VanDerWaalsContact CD1-CB 3.43Å; Y506-C528 HydrophobicContact CE1-CB 3.46Å; Y506-C528 VanDerWaalsContact CE1-CB 3.46Å; Y506-C528 HydrophobicContact CG-CB 4.34Å
529R95.4Very high91.8Very high8 Ų837.6 Ų37.63%0.0320%0.201CC..EExtended strand (participates in β ladder)trans-136.2154.8168.3-62.1-61.1-176.4-96.59.7109.8S11 N22 W24 R504 G505S11-R529 PolarHBondContact OG-NH2 3.27Å; N22-R529 WeakPolarHBondContact O-CD 3.26Å; N22-R529 VanDerWaalsContact OD1-CZ 3.3Å; N22-R529 PolarHBondContact OD1-NE 3.24Å; N22-R529 PolarHBondContact OD1-NH2 3.3Å; W24-R529 HydrophobicContact CD2-CB 3.72Å; W24-R529 HydrophobicContact CD2-CG 4.28Å; W24-R529 HydrophobicContact CE3-CB 4.08Å; W24-R529 HydrophobicContact CG-CB 4.22Å; W24-R529 HydrophobicContact CH2-CB 3.99Å; W24-R529 HydrophobicContact CH2-CG 4.01Å; W24-R529 HydrophobicContact CZ2-CB 3.64Å; W24-R529 HydrophobicContact CZ2-CG 3.36Å; W24-R529 HydrophobicContact CZ3-CB 4.22Å; R504-R529 CarbonylContact C-O 3.58Å; R504-R529 VanDerWaalsContact CA-O 3.29Å; R504-R529 WeakPolarHBondContact CA-O 3.33Å; G505-R529 PolarHBondContact N-O 3.08Å; G505-R529 PolarHBondContact O-N 2.81Å
530N93.8Very high92Very high80 Ų8040 Ų4043%0.42821%0.211SC..EExtended strand (participates in β ladder)trans-76.3142.8178.1-65.1-29.4000110.2W24 G503 R504W24-N530 PolarHBondContact N-O 3.39Å; G503-N530 WeakPolarHBondContact O-CA 3.44Å; R504-N530 VanDerWaalsContact CG-OD1 3.27Å; R504-N530 WeakPolarHBondContact CG-OD1 3.44Å; R504-N530 PolarHBondContact NE-OD1 3.02Å
531W93.4Very high92.1Very high10 Ų1035.4 Ų35.44%0.03819%0.194CC..EExtended strand (participates in β ladder)trans-78.9133.8165.7-69.1119.5000109.7W24 P25 I26 E435 L436 V485 G503 R504 G505W24-W531 HydrophobicContact CB-CD2 4.46Å; W24-W531 HydrophobicContact CB-CE3 3.57Å; W24-W531 HydrophobicContact CB-CH2 4.32Å; W24-W531 HydrophobicContact CB-CZ3 3.5Å; W24-W531 AromaticContact CE3-CH2 3.93Å; W24-W531 HydrophobicContact CE3-CH2 3.93Å; W24-W531 HydrophobicContact CE3-CZ2 4.06Å; W24-W531 HydrophobicContact CE3-CZ3 4.25Å; W24-W531 HydrophobicContact CG-CZ3 4.44Å; W24-W531 CarbonylContact O-C 3.54Å; W24-W531 WeakPolarHBondContact O-CA 3.27Å; P25-W531 VanDerWaalsContact O-CZ3 3.24Å; P25-W531 WeakPolarHBondContact O-CZ3 3.36Å; I26-W531 HydrophobicContact CG2-CB 3.68Å; I26-W531 HydrophobicContact CG2-CG 4.49Å; E435-W531 HydrophobicContact CB-CH2 4.08Å; E435-W531 HydrophobicContact CB-CZ2 3.56Å; E435-W531 HydrophobicContact CG-CZ2 4.49Å; L436-W531 HydrophobicContact CB-CH2 4.12Å; L436-W531 HydrophobicContact CB-CZ2 4.37Å; L436-W531 HydrophobicContact CD1-CH2 4.05Å; V485-W531 HydrophobicContact CG1-CZ3 4.36Å; V485-W531 HydrophobicContact CG2-CZ3 4.11Å; G503-W531 PolarHBondContact O-N 3.09Å; R504-W531 PolarHBondContact O-NE1 2.67Å; G505-W531 VanDerWaalsContact CA-NE1 3.34Å; G505-W531 VanDerWaalsContact N-NE1 3.12Å
532I90.7Very high92.3Very high13 Ų1335.9 Ų35.97%0.06720%0.197CC..EExtended strand (participates in β ladder)trans-130.9137.3-174.3-59.5-151.9000109.8A23 W24 P25 I26 Q537 H540A23-I532 HydrophobicContact CB-CD1 3.33Å; A23-I532 HydrophobicContact CB-CG1 3.8Å; W24-I532 PolarHBondContact O-N 3.23Å; P25-I532 WeakPolarHBondContact CA-O 3.44Å; I26-I532 PolarHBondContact N-O 3.18Å; I26-I532 VanDerWaalsContact N-O 3.11Å; I532-Q537 HydrophobicContact CG2-CB 3.45Å; I532-Q537 VanDerWaalsContact CG2-CB 3.45Å; I532-H540 HydrophobicContact CD1-CB 3.48Å; I532-H540 VanDerWaalsContact CD1-CB 3.48Å
533D87.8Confident92.4Very high24 Ų2438 Ų3813%0.12821%0.212CC..  trans-83107.3166.1179.4-4.6000108.9I26 T535 T536 Q537I26-D533 HydrophobicContact CD1-CB 3.38Å; I26-D533 HydrophobicContact CG1-CB 4.49Å; D533-T535 PolarHBondContact O-N 3.4Å; D533-T535 VanDerWaalsContact O-N 3.1Å; D533-T535 WeakPolarHBondContact OD1-CB 3.45Å; D533-T535 PolarHBondContact OD1-N 2.94Å; D533-T535 PolarHBondContact OD1-OG1 2.87Å; D533-T535 PolarHBondContact OD2-OG1 2.69Å; D533-T535 VanDerWaalsContact OD2-OG1 3.11Å; D533-T536 WeakPolarHBondContact CB-OG1 3.29Å; D533-T536 VanDerWaalsContact CG-OG1 3.3Å; D533-T536 PolarHBondContact O-N 3.47Å; D533-T536 PolarHBondContact OD2-OG1 2.96Å; D533-Q537 WeakPolarHBondContact O-CA 3.39Å; D533-Q537 WeakPolarHBondContact O-CB 3.34Å; D533-Q537 PolarHBondContact O-N 3.36Å
534S82.1Confident92.4Very high5 Ų537.9 Ų37.94%0.03521%0.211CC..THydrogen-bonded Turntrans-64-15.8-178.761.70000113.5E30 L538E30-S534 VanDerWaalsContact CD-OG 3.28Å; E30-S534 WeakPolarHBondContact CG-OG 3.48Å; E30-S534 WeakPolarHBondContact OE2-CB 3.34Å; E30-S534 PolarHBondContact OE2-N 2.81Å; E30-S534 PolarHBondContact OE2-OG 2.87Å; S534-L538 WeakPolarHBondContact O-CB 3.4Å
535T83.3Confident92.5Very high109 Ų10938 Ų3867%0.66921%0.211SC*.THydrogen-bonded Turntrans-80.2-36.6177.470.60000112.5D533D533-T535 PolarHBondContact O-N 3.4Å; D533-T535 VanDerWaalsContact O-N 3.1Å; D533-T535 WeakPolarHBondContact OD1-CB 3.45Å; D533-T535 PolarHBondContact OD1-N 2.94Å; D533-T535 PolarHBondContact OD1-OG1 2.87Å; D533-T535 PolarHBondContact OD2-OG1 2.69Å; D533-T535 VanDerWaalsContact OD2-OG1 3.11Å
536T87.1Confident92.5Very high101 Ų10138.4 Ų38.462%0.6221%0.214SC*.THydrogen-bonded Turntrans-102.8-23.3-177.154.80000113.2D533D533-T536 WeakPolarHBondContact CB-OG1 3.29Å; D533-T536 VanDerWaalsContact CG-OG1 3.3Å; D533-T536 PolarHBondContact O-N 3.47Å; D533-T536 PolarHBondContact OD2-OG1 2.96Å
537Q89.4Confident92.5Very high81 Ų8139.6 Ų39.638%0.37922%0.219SC..  trans-127.729.6-170.7-64.7177.7-26.100112.6I532 D533 P539 H540 M541I532-Q537 HydrophobicContact CG2-CB 3.45Å; I532-Q537 VanDerWaalsContact CG2-CB 3.45Å; D533-Q537 WeakPolarHBondContact O-CA 3.39Å; D533-Q537 WeakPolarHBondContact O-CB 3.34Å; D533-Q537 PolarHBondContact O-N 3.36Å; Q537-P539 VanDerWaalsContact C-N 3.29Å; Q537-H540 WeakPolarHBondContact O-CB 3.32Å; Q537-H540 PolarHBondContact O-N 2.95Å; Q537-M541 PolarHBondContact O-N 3.45Å
538L91.2Very high92.6Very high58 Ų5843 Ų4330%0.30424%0.235SC..Hα-helixtrans-46.7-42.7176.9-17560000114.2S534 H540 M541 I542 F585S534-L538 WeakPolarHBondContact O-CB 3.4Å; L538-H540 VanDerWaalsContact C-N 3.27Å; L538-H540 PolarHBondContact O-N 3.46Å; L538-M541 HydrophobicContact CD1-CE 3.62Å; L538-M541 WeakPolarHBondContact O-CB 3.33Å; L538-M541 PolarHBondContact O-N 3.09Å; L538-M541 VanDerWaalsContact O-N 3.07Å; L538-I542 HydrophobicContact CD1-CD1 4.4Å; L538-I542 HydrophobicContact CD1-CG1 4.37Å; L538-I542 HydrophobicContact CG-CD1 3.97Å; L538-I542 HydrophobicContact CG-CG1 4.4Å; L538-I542 WeakPolarHBondContact O-CG1 3.24Å; L538-I542 PolarHBondContact O-N 3Å; L538-F585 HydrophobicContact CD1-CD1 4.36Å; L538-F585 HydrophobicContact CD1-CE1 4Å
539P92.9Very high92.7Very high93 Ų9342.4 Ų42.460%0.60423%0.231SC*.Hα-helixtrans-59.5-35.1178.5-25.636.2000113.8Q537 I542 C543Q537-P539 VanDerWaalsContact C-N 3.29Å; P539-I542 PolarHBondContact O-N 3.49Å; P539-C543 WeakPolarHBondContact O-CB 3.26Å; P539-C543 PolarHBondContact O-N 3.41Å
540H91.7Very high92.9Very high118 Ų11842 Ų4255%0.54623%0.23SC..Hα-helixtrans-72-33.3176.7-67.7-69.1000112.2I532 Q537 L538 G544I532-H540 HydrophobicContact CD1-CB 3.48Å; I532-H540 VanDerWaalsContact CD1-CB 3.48Å; Q537-H540 WeakPolarHBondContact O-CB 3.32Å; Q537-H540 PolarHBondContact O-N 2.95Å; L538-H540 VanDerWaalsContact C-N 3.27Å; L538-H540 PolarHBondContact O-N 3.46Å; H540-G544 PolarHBondContact O-N 3.27Å; H540-G544 VanDerWaalsContact O-N 3.16Å
541M92.1Very high93.1Very high1 Ų138.2 Ų38.21%0.00521%0.209CC..Hα-helixtrans-67.9-42173.7-17016772.200111.4W21 Q537 L538 G544 F545 F585W21-M541 HydrophobicContact CE3-CG 4.03Å; W21-M541 HydrophobicContact CZ3-CG 3.88Å; Q537-M541 PolarHBondContact O-N 3.45Å; L538-M541 HydrophobicContact CD1-CE 3.62Å; L538-M541 WeakPolarHBondContact O-CB 3.33Å; L538-M541 PolarHBondContact O-N 3.09Å; L538-M541 VanDerWaalsContact O-N 3.07Å; M541-G544 PolarHBondContact O-N 2.97Å; M541-F545 PolarHBondContact O-N 3.41Å; M541-F585 HydrophobicContact CE-CE1 3.61Å; M541-F585 HydrophobicContact CE-CZ 3.72Å
542I95.4Very high93.3Very high28 Ų2837.8 Ų37.814%0.14421%0.207CC..Hα-helixtrans-59.1-51.2174.9-72.7170.4000110.5L538 P539 G544 F545 F585 P599 F602L538-I542 HydrophobicContact CD1-CD1 4.4Å; L538-I542 HydrophobicContact CD1-CG1 4.37Å; L538-I542 HydrophobicContact CG-CD1 3.97Å; L538-I542 HydrophobicContact CG-CG1 4.4Å; L538-I542 WeakPolarHBondContact O-CG1 3.24Å; L538-I542 PolarHBondContact O-N 3Å; P539-I542 PolarHBondContact O-N 3.49Å; I542-G544 PolarHBondContact O-N 3.36Å; I542-F545 WeakPolarHBondContact O-CB 3.3Å; I542-F545 PolarHBondContact O-N 2.77Å; I542-F545 VanDerWaalsContact O-N 3.09Å; I542-F585 HydrophobicContact CG1-CD1 3.91Å; I542-F585 HydrophobicContact CG1-CE1 4.33Å; I542-P599 HydrophobicContact CD1-CG 4.13Å; I542-P599 HydrophobicContact CG2-CB 3.46Å; I542-P599 VanDerWaalsContact CG2-CB 3.46Å; I542-P599 HydrophobicContact CG2-CG 3.73Å; I542-F602 HydrophobicContact CB-CE2 4.27Å; I542-F602 HydrophobicContact CG1-CE2 4.28Å; I542-F602 HydrophobicContact CG2-CD2 4.41Å; I542-F602 HydrophobicContact CG2-CE2 3.96Å
543C95Very high93.7Very high46 Ų4637.1 Ų37.131%0.31120%0.204SC..Hα-helixtrans-59.4-30.4179.5-173.40000112.4M4 P539 F545M4-C543 VanDerWaalsContact CG-O 3.23Å; M4-C543 WeakPolarHBondContact CG-O 3.39Å; P539-C543 WeakPolarHBondContact O-CB 3.26Å; P539-C543 PolarHBondContact O-N 3.41Å; C543-F545 VanDerWaalsContact C-N 3.34Å
544G95.7Very high94.2Very high0 Ų036 Ų360%020%0.198CC..THydrogen-bonded Turntrans-78.6-7.117900000115.6N22 H540 M541 I542N22-G544 WeakPolarHBondContact CB-O 3.33Å; N22-G544 PolarHBondContact N-O 3.26Å; N22-G544 PolarHBondContact ND2-O 3.5Å; H540-G544 PolarHBondContact O-N 3.27Å; H540-G544 VanDerWaalsContact O-N 3.16Å; M541-G544 PolarHBondContact O-N 2.97Å; I542-G544 PolarHBondContact O-N 3.36Å
545F97.7Very high95Very high7 Ų735.8 Ų35.83%0.03120%0.197CC..BIsolated β-bridgetrans-75.7129.6-178.2-173.8-114.4000111.7S20 W21 V36 M541 I542 C543 Q547 A550 L581 E601 F602 Y605S20-F545 VanDerWaalsContact O-CD2 3.29Å; S20-F545 WeakPolarHBondContact O-CD2 3.39Å; W21-F545 AromaticContact CD2-CD2 3.8Å; W21-F545 HydrophobicContact CD2-CD2 3.8Å; W21-F545 AromaticContact CE2-CD2 3.66Å; W21-F545 AromaticContact CE2-CE2 3.97Å; W21-F545 HydrophobicContact CE3-CB 4.01Å; W21-F545 AromaticContact CE3-CD2 3.78Å; W21-F545 HydrophobicContact CE3-CD2 3.78Å; W21-F545 HydrophobicContact CE3-CG 4.37Å; W21-F545 HydrophobicContact CH2-CB 4.26Å; W21-F545 AromaticContact CH2-CD2 3.51Å; W21-F545 HydrophobicContact CH2-CD2 3.51Å; W21-F545 HydrophobicContact CH2-CE2 4.11Å; W21-F545 HydrophobicContact CH2-CG 4.09Å; W21-F545 AromaticContact CZ2-CD2 3.53Å; W21-F545 HydrophobicContact CZ2-CD2 3.53Å; W21-F545 AromaticContact CZ2-CE2 3.76Å; W21-F545 HydrophobicContact CZ2-CE2 3.76Å; W21-F545 HydrophobicContact CZ3-CB 3.71Å; W21-F545 AromaticContact CZ3-CD2 3.65Å; W21-F545 HydrophobicContact CZ3-CD2 3.65Å; W21-F545 HydrophobicContact CZ3-CG 4.02Å; V36-F545 HydrophobicContact CB-CE2 4.32Å; V36-F545 HydrophobicContact CG1-CE2 4.3Å; V36-F545 HydrophobicContact CG2-CE2 4.39Å; V36-F545 HydrophobicContact CG2-CZ 4.48Å; M541-F545 PolarHBondContact O-N 3.41Å; I542-F545 WeakPolarHBondContact O-CB 3.3Å; I542-F545 PolarHBondContact O-N 2.77Å; I542-F545 VanDerWaalsContact O-N 3.09Å; C543-F545 VanDerWaalsContact C-N 3.34Å; F545-Q547 HydrophobicContact CD1-CB 4.23Å; F545-Q547 HydrophobicContact CE1-CB 3.8Å; F545-A550 HydrophobicContact CE1-CB 4.37Å; F545-A550 HydrophobicContact CE2-CB 3.56Å; F545-A550 HydrophobicContact CZ-CB 3.42Å; F545-A550 VanDerWaalsContact CZ-CB 3.42Å; F545-L581 HydrophobicContact CZ-CD1 4.15Å; F545-E601 HydrophobicContact CB-CB 4.48Å; F545-E601 WeakPolarHBondContact CD1-O 3.3Å; F545-F602 HydrophobicContact CB-CD2 4.48Å; F545-F602 HydrophobicContact CB-CE1 4.12Å; F545-F602 HydrophobicContact CB-CE2 3.69Å; F545-F602 HydrophobicContact CB-CZ 3.49Å; F545-F602 VanDerWaalsContact CB-CZ 3.49Å; F545-F602 AromaticContact CD1-CD1 3.4Å; F545-F602 HydrophobicContact CD1-CD1 3.4Å; F545-F602 AromaticContact CD1-CD2 3.99Å; F545-F602 HydrophobicContact CD1-CD2 3.99Å; F545-F602 AromaticContact CD1-CE1 3.32Å; F545-F602 HydrophobicContact CD1-CE1 3.32Å; F545-F602 AromaticContact CD1-CE2 3.89Å; F545-F602 HydrophobicContact CD1-CE2 3.89Å; F545-F602 AromaticContact CD1-CG 3.75Å; F545-F602 HydrophobicContact CD1-CG 3.75Å; F545-F602 AromaticContact CD1-CZ 3.58Å; F545-F602 HydrophobicContact CD1-CZ 3.58Å; F545-F602 AromaticContact CD2-CE1 3.96Å; F545-F602 HydrophobicContact CD2-CE1 3.96Å; F545-F602 HydrophobicContact CD2-CZ 4.11Å; F545-F602 AromaticContact CE1-CD1 3.41Å; F545-F602 HydrophobicContact CE1-CD1 3.41Å; F545-F602 VanDerWaalsContact CE1-CD1 3.41Å; F545-F602 AromaticContact CE1-CE1 3.57Å; F545-F602 HydrophobicContact CE1-CE1 3.57Å; F545-F602 HydrophobicContact CE1-CG 4.06Å; F545-F602 HydrophobicContact CE1-CZ 4.3Å; F545-F602 HydrophobicContact CE2-CE1 4.17Å; F545-F602 HydrophobicContact CG-CD1 4.11Å; F545-F602 AromaticContact CG-CE1 3.52Å; F545-F602 HydrophobicContact CG-CE1 3.52Å; F545-F602 AromaticContact CG-CE2 3.98Å; F545-F602 HydrophobicContact CG-CE2 3.98Å; F545-F602 AromaticContact CG-CZ 3.45Å; F545-F602 HydrophobicContact CG-CZ 3.45Å; F545-F602 VanDerWaalsContact CG-CZ 3.45Å; F545-F602 HydrophobicContact CZ-CD1 4.13Å; F545-F602 AromaticContact CZ-CE1 3.99Å; F545-F602 HydrophobicContact CZ-CE1 3.99Å; F545-Y605 HydrophobicContact CE1-CD2 4.29Å; F545-Y605 HydrophobicContact CE1-CG 4.37Å; F545-Y605 HydrophobicContact CZ-CD2 4.09Å; F545-Y605 HydrophobicContact CZ-CE2 4.32Å; F545-Y605 HydrophobicContact CZ-CG 4.43Å
546D98Very high95.7Very high9 Ų930.6 Ų30.65%0.04817%0.165CC..  trans-108.893.6175.3-175.6-13.8000108.9I8 R18 F19 S20 E548 A549 A550I8-D546 HydrophobicContact CD1-CB 4.21Å; I8-D546 WeakPolarHBondContact CG2-OD2 3.46Å; R18-D546 IonicContact CZ-OD1 2.76Å; R18-D546 IonicContact CZ-OD2 3.43Å; R18-D546 VanDerWaalsContact CZ-OD2 3.31Å; R18-D546 IonicContact NE-OD1 3.16Å; R18-D546 IonicContact NE-OD2 3.2Å; R18-D546 PolarHBondContact NE-OD2 3.13Å; R18-D546 VanDerWaalsContact NH2-CG 3.32Å; R18-D546 IonicContact NH2-OD1 3.8Å; R18-D546 PolarHBondContact NH2-OD1 3.35Å; R18-D546 IonicContact NH2-OD2 3.04Å; R18-D546 PolarHBondContact NH2-OD2 2.99Å; F19-D546 WeakPolarHBondContact O-CB 3.45Å; S20-D546 PolarHBondContact O-N 2.88Å; D546-E548 PolarHBondContact O-N 2.9Å; D546-E548 WeakPolarHBondContact OD1-CB 3.45Å; D546-E548 PolarHBondContact OD1-N 3.49Å; D546-A549 HydrophobicContact CB-CB 4.12Å; D546-A549 PolarHBondContact O-N 3.2Å; D546-A549 PolarHBondContact OD1-N 2.89Å; D546-A549 WeakPolarHBondContact OD2-CB 3.27Å; D546-A550 WeakPolarHBondContact O-CB 3.47Å; D546-A550 PolarHBondContact O-N 3.34Å
547Q97.5Very high96.2Very high27 Ų2727 Ų2713%0.12614%0.141CC..Hα-helixtrans-58.7-28.7-178.854.5-169.2-30.400114.2F545 T551 G600 E601 F604 Y605 F608F545-Q547 HydrophobicContact CD1-CB 4.23Å; F545-Q547 HydrophobicContact CE1-CB 3.8Å; Q547-T551 VanDerWaalsContact O-CB 3.28Å; Q547-T551 WeakPolarHBondContact O-CB 3.2Å; Q547-T551 PolarHBondContact O-N 3.16Å; Q547-T551 PolarHBondContact O-OG1 3.08Å; Q547-G600 PolarHBondContact NE2-O 3.46Å; Q547-E601 WeakPolarHBondContact CB-O 3.41Å; Q547-E601 WeakPolarHBondContact CG-O 3.23Å; Q547-E601 PolarHBondContact NE2-O 3.36Å; Q547-E601 PolarHBondContact OE1-O 3.09Å; Q547-F604 VanDerWaalsContact OE1-CB 3.29Å; Q547-Y605 HydrophobicContact CB-CD2 4.42Å; Q547-Y605 VanDerWaalsContact OE1-N 3.14Å; Q547-F608 HydrophobicContact CG-CE2 4.32Å
548E98Very high96.6Very high73 Ų7323.2 Ų23.234%0.34112%0.123SC..Hα-helixtrans-71-55.2178.6-69-174.2170.800110.4R18 D546 A550 T551 V552 F608 L644R18-E548 IonicContact CZ-OE2 3.9Å; R18-E548 IonicContact NH1-OE2 3.61Å; R18-E548 PolarHBondContact NH1-OE2 2.76Å; R18-E548 IonicContact NH2-OE2 2.9Å; R18-E548 PolarHBondContact NH2-OE2 2.96Å; D546-E548 PolarHBondContact O-N 2.9Å; D546-E548 WeakPolarHBondContact OD1-CB 3.45Å; D546-E548 PolarHBondContact OD1-N 3.49Å; E548-A550 VanDerWaalsContact C-N 3.32Å; E548-A550 PolarHBondContact O-N 2.72Å; E548-T551 WeakPolarHBondContact O-CB 3.43Å; E548-T551 PolarHBondContact O-N 2.79Å; E548-V552 PolarHBondContact O-N 3.11Å; E548-F608 HydrophobicContact CG-CE2 4.43Å; E548-L644 HydrophobicContact CB-CD1 3.53Å; E548-L644 HydrophobicContact CG-CD1 3.54Å
549A98.5Very high96.8Very high0 Ų020.5 Ų20.50%011%0.109CC..Hα-helixtrans-63.4-40.817800000111.5R18 L41 D546 T551 V552 L553R18-A549 HydrophobicContact CB-CB 3.89Å; L41-A549 HydrophobicContact CD1-CB 4.38Å; D546-A549 HydrophobicContact CB-CB 4.12Å; D546-A549 PolarHBondContact O-N 3.2Å; D546-A549 PolarHBondContact OD1-N 2.89Å; D546-A549 WeakPolarHBondContact OD2-CB 3.27Å; A549-T551 VanDerWaalsContact C-N 3.32Å; A549-T551 PolarHBondContact O-N 3.21Å; A549-V552 PolarHBondContact O-N 2.67Å; A549-L553 WeakPolarHBondContact O-CB 3.4Å; A549-L553 WeakPolarHBondContact O-CD1 3.3Å; A549-L553 WeakPolarHBondContact O-CG 3.38Å; A549-L553 PolarHBondContact O-N 3.34Å
550A98.6Very high97Very high0 Ų019.8 Ų19.80%010%0.097CC..Hα-helixtrans-57.9-43.8175.100000111.9V36 F545 D546 E548 L553 I554 Y605V36-A550 HydrophobicContact CG1-CB 3.9Å; F545-A550 HydrophobicContact CE1-CB 4.37Å; F545-A550 HydrophobicContact CE2-CB 3.56Å; F545-A550 HydrophobicContact CZ-CB 3.42Å; F545-A550 VanDerWaalsContact CZ-CB 3.42Å; D546-A550 WeakPolarHBondContact O-CB 3.47Å; D546-A550 PolarHBondContact O-N 3.34Å; E548-A550 VanDerWaalsContact C-N 3.32Å; E548-A550 PolarHBondContact O-N 2.72Å; A550-L553 PolarHBondContact O-N 3Å; A550-I554 WeakPolarHBondContact O-CB 3.34Å; A550-I554 VanDerWaalsContact O-CG1 3.31Å; A550-I554 WeakPolarHBondContact O-CG1 3.17Å; A550-I554 PolarHBondContact O-N 3.36Å; A550-Y605 HydrophobicContact CB-CD2 4.33Å; A550-Y605 HydrophobicContact CB-CE2 3.97Å
551T98.5Very high97.2Very high0 Ų018 Ų180%09%0.088CC..Hα-helixtrans-58.3-51.5177.2-69.40000111.3Q547 E548 A549 L553 I554 A555 F608 M609 L644 I647Q547-T551 VanDerWaalsContact O-CB 3.28Å; Q547-T551 WeakPolarHBondContact O-CB 3.2Å; Q547-T551 PolarHBondContact O-N 3.16Å; Q547-T551 PolarHBondContact O-OG1 3.08Å; E548-T551 WeakPolarHBondContact O-CB 3.43Å; E548-T551 PolarHBondContact O-N 2.79Å; A549-T551 VanDerWaalsContact C-N 3.32Å; A549-T551 PolarHBondContact O-N 3.21Å; T551-L553 PolarHBondContact O-N 3.37Å; T551-I554 PolarHBondContact O-N 3Å; T551-A555 VanDerWaalsContact O-CB 3.3Å; T551-A555 WeakPolarHBondContact O-CB 3.26Å; T551-A555 PolarHBondContact O-N 2.9Å; T551-F608 HydrophobicContact CG2-CB 3.58Å; T551-F608 HydrophobicContact CG2-CD2 4.44Å; T551-F608 HydrophobicContact CG2-CG 4.01Å; T551-F608 WeakPolarHBondContact OG1-CB 3.29Å; T551-F608 VanDerWaalsContact OG1-CD2 3.26Å; T551-F608 WeakPolarHBondContact OG1-CD2 3.46Å; T551-M609 HydrophobicContact CG2-CE 3.74Å; T551-L644 HydrophobicContact CG2-CD2 3.69Å; T551-I647 HydrophobicContact CG2-CD1 3.84Å
552V98.6Very high97.2Very high0 Ų018.8 Ų18.80%09%0.094CC..Hα-helixtrans-66.5-39.5-178178.30000111.1L41 E548 A549 I554 A555 R556 L644L41-V552 HydrophobicContact CD1-CB 3.9Å; L41-V552 HydrophobicContact CD1-CG1 3.87Å; L41-V552 HydrophobicContact CD1-CG2 4.43Å; L41-V552 HydrophobicContact CD2-CB 4.44Å; L41-V552 HydrophobicContact CD2-CG1 3.8Å; L41-V552 HydrophobicContact CG-CG1 4.47Å; E548-V552 PolarHBondContact O-N 3.11Å; A549-V552 PolarHBondContact O-N 2.67Å; V552-I554 PolarHBondContact O-N 3.42Å; V552-A555 PolarHBondContact O-N 3.36Å; V552-R556 WeakPolarHBondContact O-CG 3.31Å; V552-R556 PolarHBondContact O-N 3.41Å; V552-L644 HydrophobicContact CG2-CD2 4.13Å; V552-L644 HydrophobicContact CG2-CG 4.02Å
553L98.8Very high97Very high0 Ų021.2 Ų21.20%011%0.105CC..Hα-helixtrans-61.7-42.5175.8-74.3165.9000111.9G39 L41 A480 Y482 A549 A550 T551 M557G39-L553 WeakPolarHBondContact O-CD1 3.27Å; L41-L553 HydrophobicContact CD2-CD2 4.05Å; L41-L553 HydrophobicContact CD2-CG 4.29Å; L41-L553 HydrophobicContact CG-CD2 4.41Å; L41-L553 HydrophobicContact CG-CG 4.36Å; A480-L553 HydrophobicContact CB-CD2 3.67Å; Y482-L553 HydrophobicContact CE1-CB 4.12Å; Y482-L553 HydrophobicContact CE1-CD2 3.85Å; Y482-L553 PolarHBondContact OH-O 2.84Å; A549-L553 WeakPolarHBondContact O-CB 3.4Å; A549-L553 WeakPolarHBondContact O-CD1 3.3Å; A549-L553 WeakPolarHBondContact O-CG 3.38Å; A549-L553 PolarHBondContact O-N 3.34Å; A550-L553 PolarHBondContact O-N 3Å; T551-L553 PolarHBondContact O-N 3.37Å; L553-M557 WeakPolarHBondContact O-CG 3.31Å; L553-M557 PolarHBondContact O-N 3Å; L553-M557 VanDerWaalsContact O-N 3.15Å
554I98.4Very high96.7Very high1 Ų125 Ų251%0.00513%0.127CC..Hα-helixtrans-70.8-39176.2-70.5-68.9000111.2V36 A550 T551 V552 R556 M557 A558 W573 L574 M609V36-I554 HydrophobicContact CG1-CG1 4.43Å; V36-I554 HydrophobicContact CG2-CD1 4.36Å; V36-I554 HydrophobicContact CG2-CG1 4.21Å; A550-I554 WeakPolarHBondContact O-CB 3.34Å; A550-I554 VanDerWaalsContact O-CG1 3.31Å; A550-I554 WeakPolarHBondContact O-CG1 3.17Å; A550-I554 PolarHBondContact O-N 3.36Å; T551-I554 PolarHBondContact O-N 3Å; V552-I554 PolarHBondContact O-N 3.42Å; I554-R556 VanDerWaalsContact C-N 3.34Å; I554-R556 PolarHBondContact O-N 3.33Å; I554-M557 HydrophobicContact CD1-SD 4.16Å; I554-M557 WeakPolarHBondContact O-CB 3.4Å; I554-M557 PolarHBondContact O-N 3.46Å; I554-A558 WeakPolarHBondContact O-CB 3.43Å; I554-A558 PolarHBondContact O-N 2.69Å; I554-W573 HydrophobicContact CD1-CH2 4.29Å; I554-W573 HydrophobicContact CG2-CH2 4.37Å; I554-W573 HydrophobicContact CG2-CZ3 4.36Å; I554-L574 HydrophobicContact CG2-CD1 3.39Å; I554-M609 HydrophobicContact CG2-SD 3.99Å
555A98.2Very high96.4Very high0 Ų027.8 Ų27.80%014%0.144CC..Hα-helixtrans-58.8-45.4175.900000111.6T551 V552 A558 M559 M612 L635 I647T551-A555 VanDerWaalsContact O-CB 3.3Å; T551-A555 WeakPolarHBondContact O-CB 3.26Å; T551-A555 PolarHBondContact O-N 2.9Å; V552-A555 PolarHBondContact O-N 3.36Å; A555-A558 PolarHBondContact O-N 3.19Å; A555-M559 WeakPolarHBondContact O-CG 3.19Å; A555-M559 PolarHBondContact O-N 3.36Å; A555-M612 HydrophobicContact CB-CE 3.57Å; A555-M612 HydrophobicContact CB-CG 4.38Å; A555-M612 HydrophobicContact CB-SD 3.55Å; A555-M612 VanDerWaalsContact CB-SD 3.55Å; A555-L635 HydrophobicContact CB-CD2 4.36Å; A555-I647 HydrophobicContact CB-CD1 3.71Å
556R98.4Very high95.9Very high0 Ų031.2 Ų31.20%016%0.163CC..Hα-helixtrans-64.8-38.8175.8-71.6-179.1178.6-158.36.6112.8I442 T478 A480 V552 I554 M559 F560 L635 N636 E638I442-R556 HydrophobicContact CB-CB 4.45Å; I442-R556 HydrophobicContact CG2-CB 3.95Å; I442-R556 PolarHBondContact O-NH1 3.2Å; T478-R556 PolarHBondContact O-NH1 2.79Å; T478-R556 PolarHBondContact O-NH2 3.08Å; A480-R556 VanDerWaalsContact N-NH1 3.2Å; V552-R556 WeakPolarHBondContact O-CG 3.31Å; V552-R556 PolarHBondContact O-N 3.41Å; I554-R556 VanDerWaalsContact C-N 3.34Å; I554-R556 PolarHBondContact O-N 3.33Å; R556-M559 HydrophobicContact CB-CE 4.46Å; R556-M559 HydrophobicContact CG-CE 4.01Å; R556-F560 WeakPolarHBondContact O-CB 3.39Å; R556-F560 PolarHBondContact O-N 2.87Å; R556-L635 PolarHBondContact NE-O 2.9Å; R556-L635 VanDerWaalsContact NE-O 3.12Å; R556-L635 PolarHBondContact NH2-O 3.16Å; R556-L635 VanDerWaalsContact NH2-O 3.16Å; R556-N636 VanDerWaalsContact CZ-O 3.3Å; R556-N636 PolarHBondContact NH1-O 2.69Å; R556-N636 VanDerWaalsContact NH1-O 3.12Å; R556-N636 PolarHBondContact NH2-O 3.15Å; R556-E638 PolarHBondContact NH2-O 3.13Å
557M98Very high95.3Very high26 Ų2632.6 Ų32.613%0.12817%0.173CC..Hα-helixtrans-63.8-42.4171.7-71.7175.577.900112.3P37 I442 V460 Y482 L553 I554 F560 K561 W573P37-M557 HydrophobicContact CG-CE 4.33Å; P37-M557 HydrophobicContact CG-SD 3.71Å; I442-M557 HydrophobicContact CD1-CG 4.06Å; V460-M557 HydrophobicContact CG1-CE 4.28Å; V460-M557 HydrophobicContact CG1-CG 4.34Å; Y482-M557 HydrophobicContact CD1-SD 4.13Å; Y482-M557 HydrophobicContact CE1-CG 3.65Å; Y482-M557 HydrophobicContact CE1-SD 3.55Å; Y482-M557 VanDerWaalsContact CE1-SD 3.55Å; Y482-M557 WeakPolarHBondContact OH-CG 3.33Å; L553-M557 WeakPolarHBondContact O-CG 3.31Å; L553-M557 PolarHBondContact O-N 3Å; L553-M557 VanDerWaalsContact O-N 3.15Å; I554-M557 HydrophobicContact CD1-SD 4.16Å; I554-M557 WeakPolarHBondContact O-CB 3.4Å; I554-M557 PolarHBondContact O-N 3.46Å; M557-F560 PolarHBondContact O-N 3.42Å; M557-K561 WeakPolarHBondContact O-CG 3.32Å; M557-K561 PolarHBondContact O-N 2.84Å; M557-W573 HydrophobicContact CB-CH2 4.01Å; M557-W573 HydrophobicContact CE-CH2 4.5Å; M557-W573 HydrophobicContact CE-CZ2 4.29Å
558A97.5Very high95Very high0 Ų034.3 Ų34.30%019%0.185CC..Hα-helixtrans-63.3-46.5179.200000110.9I554 A555 F560 K561 A562 V570 W573 L618I554-A558 WeakPolarHBondContact O-CB 3.43Å; I554-A558 PolarHBondContact O-N 2.69Å; A555-A558 PolarHBondContact O-N 3.19Å; A558-F560 PolarHBondContact O-N 3.33Å; A558-K561 PolarHBondContact O-N 3.21Å; A558-A562 WeakPolarHBondContact O-CB 3.29Å; A558-A562 PolarHBondContact O-N 2.81Å; A558-V570 HydrophobicContact CB-CG1 3.97Å; A558-V570 WeakPolarHBondContact O-CG1 3.1Å; A558-W573 HydrophobicContact CB-CZ3 3.99Å; A558-L618 HydrophobicContact CB-CD1 4.42Å; A558-L618 HydrophobicContact CB-CD2 4Å
559M95.8Very high94.9Very high1 Ų134.4 Ų34.41%0.00519%0.188CC..Hα-helixtrans-60.3-44.8175.1-73.4-167.6-63.200112.4A555 R556 K561 A562 E563 M612 F617 R632 L635 N636A555-M559 WeakPolarHBondContact O-CG 3.19Å; A555-M559 PolarHBondContact O-N 3.36Å; R556-M559 HydrophobicContact CB-CE 4.46Å; R556-M559 HydrophobicContact CG-CE 4.01Å; M559-K561 VanDerWaalsContact C-N 3.31Å; M559-K561 PolarHBondContact O-N 3.48Å; M559-A562 WeakPolarHBondContact O-CB 3.36Å; M559-A562 PolarHBondContact O-N 3.16Å; M559-A562 VanDerWaalsContact O-N 3.14Å; M559-E563 PolarHBondContact O-N 3.37Å; M559-M612 HydrophobicContact CG-CE 4.4Å; M559-F617 HydrophobicContact CG-CB 4.02Å; M559-F617 HydrophobicContact SD-CB 4.04Å; M559-F617 HydrophobicContact SD-CD1 3.86Å; M559-F617 HydrophobicContact SD-CG 4.14Å; M559-R632 HydrophobicContact CG-CG 4.29Å; M559-R632 HydrophobicContact SD-CB 3.92Å; M559-R632 HydrophobicContact SD-CG 3.67Å; M559-L635 HydrophobicContact CE-CB 3.81Å; M559-L635 HydrophobicContact CE-CD2 3.33Å; M559-L635 HydrophobicContact CE-CG 3.53Å; M559-L635 HydrophobicContact SD-CB 4.15Å; M559-L635 HydrophobicContact SD-CD2 3.53Å; M559-L635 VanDerWaalsContact SD-CD2 3.53Å; M559-L635 HydrophobicContact SD-CG 4.18Å; M559-N636 VanDerWaalsContact CE-OD1 3.23Å; M559-N636 WeakPolarHBondContact CE-OD1 3.21Å
560F96.1Very high94.7Very high79 Ų7934.5 Ų34.535%0.34619%0.188SC..Hα-helixtrans-61.4-41.2177.5-171.9-90.1000111.3I442 R556 M557 A558 A562 E563I442-F560 HydrophobicContact CD1-CB 3.93Å; I442-F560 HydrophobicContact CD1-CG 4.21Å; I442-F560 HydrophobicContact CG1-CD2 4.45Å; R556-F560 WeakPolarHBondContact O-CB 3.39Å; R556-F560 PolarHBondContact O-N 2.87Å; M557-F560 PolarHBondContact O-N 3.42Å; A558-F560 PolarHBondContact O-N 3.33Å; F560-A562 VanDerWaalsContact C-N 3.33Å; F560-A562 PolarHBondContact O-N 2.89Å; F560-E563 PolarHBondContact O-N 2.98Å
561K95.7Very high94.6Very high81 Ų8135.5 Ų35.535%0.35219%0.194SC..Hα-helixtrans-63.9-37.8173.4-74.8-178.8177.1-56.10112.7M557 A558 M559 E563 T564 T565 V570 W573M557-K561 WeakPolarHBondContact O-CG 3.32Å; M557-K561 PolarHBondContact O-N 2.84Å; A558-K561 PolarHBondContact O-N 3.21Å; M559-K561 VanDerWaalsContact C-N 3.31Å; M559-K561 PolarHBondContact O-N 3.48Å; K561-E563 PolarHBondContact O-N 3.28Å; K561-E563 VanDerWaalsContact O-N 3.16Å; K561-T564 PolarHBondContact O-N 2.92Å; K561-T565 WeakPolarHBondContact O-CB 3.42Å; K561-T565 PolarHBondContact O-N 3.36Å; K561-T565 PolarHBondContact O-OG1 2.9Å; K561-V570 HydrophobicContact CB-CG2 4.05Å; K561-W573 HydrophobicContact CD-CD2 3.98Å; K561-W573 HydrophobicContact CD-CE3 4.18Å; K561-W573 HydrophobicContact CD-CG 4.45Å; K561-W573 HydrophobicContact CD-CZ2 4.34Å; K561-W573 HydrophobicContact CD-CZ3 4.45Å
562A93.7Very high94.4Very high17 Ų1741.8 Ų41.814%0.1422%0.217CC..THydrogen-bonded Turntrans-71.31.617900000114A558 M559 F560 V570 L618 R632A558-A562 WeakPolarHBondContact O-CB 3.29Å; A558-A562 PolarHBondContact O-N 2.81Å; M559-A562 WeakPolarHBondContact O-CB 3.36Å; M559-A562 PolarHBondContact O-N 3.16Å; M559-A562 VanDerWaalsContact O-N 3.14Å; F560-A562 VanDerWaalsContact C-N 3.33Å; F560-A562 PolarHBondContact O-N 2.89Å; A562-V570 HydrophobicContact CB-CG1 4.46Å; A562-V570 HydrophobicContact CB-CG2 4.04Å; A562-L618 HydrophobicContact CB-CD2 4.44Å; A562-R632 PolarHBondContact O-NH1 3.22Å
563E90.5Very high94.3Very high78 Ų7844.3 Ų44.336%0.36423%0.227SC..THydrogen-bonded Turntrans-82.3-25.3168.3-61.7-164.7158.800112.8M559 F560 K561M559-E563 PolarHBondContact O-N 3.37Å; F560-E563 PolarHBondContact O-N 2.98Å; K561-E563 PolarHBondContact O-N 3.28Å; K561-E563 VanDerWaalsContact O-N 3.16Å
564T88.9Confident94.2Very high127 Ų12744.3 Ų44.378%0.77923%0.227SC*.THydrogen-bonded Turntrans-126.9-7.5-175.564.70000113.8K561K561-T564 PolarHBondContact O-N 2.92Å
565T89Confident94.1Very high57 Ų5746.2 Ų46.235%0.3524%0.237SC..SBendtrans-123144.4-174.3-41.70000108.8K561 D569 V570K561-T565 WeakPolarHBondContact O-CB 3.42Å; K561-T565 PolarHBondContact O-N 3.36Å; K561-T565 PolarHBondContact O-OG1 2.9Å; T565-D569 HydrophobicContact CG2-CB 3.83Å; T565-V570 HydrophobicContact CG2-CG2 4.23Å
566D86.9Confident94Very high80 Ų8054.1 Ų54.143%0.42827%0.267SS..  trans-57.2145.5175.7-176.3-101.1000112.3V568 D569 V570D566-V568 VanDerWaalsContact C-N 3.26Å; D566-V568 PolarHBondContact O-N 2.91Å; D566-V568 VanDerWaalsContact OD1-CB 3.24Å; D566-V568 WeakPolarHBondContact OD1-CB 3.31Å; D566-V568 WeakPolarHBondContact OD1-CG2 3.28Å; D566-V568 PolarHBondContact OD1-N 2.9Å; D566-D569 PolarHBondContact O-N 3.47Å; D566-V570 WeakPolarHBondContact O-CG2 3Å; D566-V570 PolarHBondContact O-N 3.03Å; D566-V570 VanDerWaalsContact O-N 3.1Å
567S86.4Confident93.9Very high38 Ų3855.7 Ų55.727%0.26627%0.274SS..Hα-helixtrans-57.3-38.9-177.464.90000112.5D569 V570 L571S567-D569 VanDerWaalsContact C-N 3.34Å; S567-D569 PolarHBondContact O-N 2.9Å; S567-V570 PolarHBondContact O-N 3.37Å; S567-L571 WeakPolarHBondContact O-CG 3.46Å; S567-L571 PolarHBondContact O-N 2.88Å
568V90.8Very high93.9Very high62 Ų6254.6 Ų54.638%0.37627%0.269SS..Hα-helixtrans-67.3-38.6-178.4-172.40000110.7D566 L571 R572D566-V568 VanDerWaalsContact C-N 3.26Å; D566-V568 PolarHBondContact O-N 2.91Å; D566-V568 VanDerWaalsContact OD1-CB 3.24Å; D566-V568 WeakPolarHBondContact OD1-CB 3.31Å; D566-V568 WeakPolarHBondContact OD1-CG2 3.28Å; D566-V568 PolarHBondContact OD1-N 2.9Å; V568-L571 PolarHBondContact O-N 2.83Å; V568-R572 WeakPolarHBondContact O-CG 3.12Å; V568-R572 PolarHBondContact O-N 2.79Å
569D94.7Very high93.8Very high76 Ų7656 Ų5641%0.40628%0.276SS..Hα-helixtrans-71.6-33.7178.3-74.9-22.5000112.5T565 D566 S567 R572 W573T565-D569 HydrophobicContact CG2-CB 3.83Å; D566-D569 PolarHBondContact O-N 3.47Å; S567-D569 VanDerWaalsContact C-N 3.34Å; S567-D569 PolarHBondContact O-N 2.9Å; D569-R572 PolarHBondContact O-N 2.95Å; D569-R572 IonicContact OD1-CZ 3.72Å; D569-R572 IonicContact OD1-NH1 3.52Å; D569-R572 PolarHBondContact OD1-NH1 3.03Å; D569-W573 WeakPolarHBondContact O-CB 3.44Å; D569-W573 PolarHBondContact O-N 2.82Å
570V95.7Very high93.8Very high1 Ų161.2 Ų61.21%0.00630%0.299CS..Hα-helixtrans-65.6-41.7172177.90000111.1A558 K561 A562 T565 D566 S567 W573 L574 L618A558-V570 HydrophobicContact CB-CG1 3.97Å; A558-V570 WeakPolarHBondContact O-CG1 3.1Å; K561-V570 HydrophobicContact CB-CG2 4.05Å; A562-V570 HydrophobicContact CB-CG1 4.46Å; A562-V570 HydrophobicContact CB-CG2 4.04Å; T565-V570 HydrophobicContact CG2-CG2 4.23Å; D566-V570 WeakPolarHBondContact O-CG2 3Å; D566-V570 PolarHBondContact O-N 3.03Å; D566-V570 VanDerWaalsContact O-N 3.1Å; S567-V570 PolarHBondContact O-N 3.37Å; V570-W573 WeakPolarHBondContact O-CB 2.97Å; V570-W573 PolarHBondContact O-N 2.83Å; V570-L574 WeakPolarHBondContact O-CB 3.46Å; V570-L574 PolarHBondContact O-N 2.87Å; V570-L618 HydrophobicContact CG1-CD2 3.87Å
571L94.9Very high93.8Very high22 Ų2257.4 Ų57.412%0.11528%0.282CS..Hα-helixtrans-63.2-44.8174.9-69.5167.4000111.6S567 V568 W573 L574 D575 R613 L618S567-L571 WeakPolarHBondContact O-CG 3.46Å; S567-L571 PolarHBondContact O-N 2.88Å; V568-L571 PolarHBondContact O-N 2.83Å; L571-W573 VanDerWaalsContact C-N 3.3Å; L571-W573 PolarHBondContact O-N 3.13Å; L571-L574 WeakPolarHBondContact O-CB 3.3Å; L571-L574 PolarHBondContact O-N 2.82Å; L571-D575 VanDerWaalsContact O-CG 3.32Å; L571-D575 PolarHBondContact O-N 2.87Å; L571-R613 HydrophobicContact CD2-CB 3.93Å; L571-R613 HydrophobicContact CD2-CG 3.92Å; L571-L618 HydrophobicContact CD2-CB 4.21Å; L571-L618 HydrophobicContact CD2-CD1 3.86Å
572R95.6Very high93.8Very high131 Ų13153.6 Ų53.649%0.49427%0.265SS..Hα-helixtrans-60.6-39.7174.1-72.7174.3-175.2129.62.8112.1V568 D569 R576V568-R572 WeakPolarHBondContact O-CG 3.12Å; V568-R572 PolarHBondContact O-N 2.79Å; D569-R572 PolarHBondContact O-N 2.95Å; D569-R572 IonicContact OD1-CZ 3.72Å; D569-R572 IonicContact OD1-NH1 3.52Å; D569-R572 PolarHBondContact OD1-NH1 3.03Å; R572-R576 WeakPolarHBondContact O-CB 3.41Å; R572-R576 VanDerWaalsContact O-CG 3.23Å; R572-R576 WeakPolarHBondContact O-CG 3.34Å; R572-R576 PolarHBondContact O-N 3.35Å
573W96.8Very high93.8Very high53 Ų5356.6 Ų56.620%0.20128%0.277CS..Hα-helixtrans-61.7-46.5175.4170.582.2000110.9I554 M557 A558 K561 D569 V570 L571 R576 Q577I554-W573 HydrophobicContact CD1-CH2 4.29Å; I554-W573 HydrophobicContact CG2-CH2 4.37Å; I554-W573 HydrophobicContact CG2-CZ3 4.36Å; M557-W573 HydrophobicContact CB-CH2 4.01Å; M557-W573 HydrophobicContact CE-CH2 4.5Å; M557-W573 HydrophobicContact CE-CZ2 4.29Å; A558-W573 HydrophobicContact CB-CZ3 3.99Å; K561-W573 HydrophobicContact CD-CD2 3.98Å; K561-W573 HydrophobicContact CD-CE3 4.18Å; K561-W573 HydrophobicContact CD-CG 4.45Å; K561-W573 HydrophobicContact CD-CZ2 4.34Å; K561-W573 HydrophobicContact CD-CZ3 4.45Å; D569-W573 WeakPolarHBondContact O-CB 3.44Å; D569-W573 PolarHBondContact O-N 2.82Å; V570-W573 WeakPolarHBondContact O-CB 2.97Å; V570-W573 PolarHBondContact O-N 2.83Å; L571-W573 VanDerWaalsContact C-N 3.3Å; L571-W573 PolarHBondContact O-N 3.13Å; W573-R576 PolarHBondContact O-N 3.45Å; W573-Q577 HydrophobicContact CD2-CG 4.2Å; W573-Q577 HydrophobicContact CH2-CG 4.28Å; W573-Q577 HydrophobicContact CZ2-CG 3.82Å; W573-Q577 WeakPolarHBondContact O-CG 3.45Å; W573-Q577 PolarHBondContact O-N 2.85Å
574L96.9Very high93.9Very high0 Ų056.1 Ų56.10%027%0.273CS..Hα-helixtrans-60.2-47.9178.1-172.763.4000111.6I554 V570 L571 R576 Q577 L578 M609 M612 R613 L618I554-L574 HydrophobicContact CG2-CD1 3.39Å; V570-L574 WeakPolarHBondContact O-CB 3.46Å; V570-L574 PolarHBondContact O-N 2.87Å; L571-L574 WeakPolarHBondContact O-CB 3.3Å; L571-L574 PolarHBondContact O-N 2.82Å; L574-R576 VanDerWaalsContact C-N 3.32Å; L574-R576 PolarHBondContact O-N 2.84Å; L574-Q577 WeakPolarHBondContact O-CB 3.38Å; L574-Q577 PolarHBondContact O-N 2.92Å; L574-Q577 VanDerWaalsContact O-N 3.11Å; L574-L578 PolarHBondContact O-N 2.85Å; L574-M609 HydrophobicContact CD1-SD 3.58Å; L574-M609 VanDerWaalsContact CD1-SD 3.58Å; L574-M609 HydrophobicContact CG-SD 4.26Å; L574-M612 HydrophobicContact CD2-CG 4.25Å; L574-R613 HydrophobicContact CD2-CG 3.71Å; L574-L618 HydrophobicContact CD2-CD1 3.95Å
575D95.6Very high94.2Very high41 Ų4150.4 Ų50.422%0.21924%0.238CC..Hα-helixtrans-59.4-43.4177.7-70.6-18.1000111.1L571 Q577 L578 I579 R613L571-D575 VanDerWaalsContact O-CG 3.32Å; L571-D575 PolarHBondContact O-N 2.87Å; D575-Q577 PolarHBondContact O-N 3.25Å; D575-L578 PolarHBondContact O-N 3.28Å; D575-I579 WeakPolarHBondContact O-CD1 3.18Å; D575-I579 VanDerWaalsContact O-CG1 3.25Å; D575-I579 WeakPolarHBondContact O-CG1 3.32Å; D575-I579 PolarHBondContact O-N 2.81Å; D575-R613 WeakPolarHBondContact OD1-CD 3.38Å; D575-R613 IonicContact OD1-CZ 2.78Å; D575-R613 IonicContact OD1-NE 3.7Å; D575-R613 PolarHBondContact OD1-NE 2.87Å; D575-R613 IonicContact OD1-NH2 2.9Å; D575-R613 IonicContact OD2-CZ 2.78Å; D575-R613 IonicContact OD2-NE 3.16Å; D575-R613 IonicContact OD2-NH2 3.01Å; D575-R613 PolarHBondContact OD2-NH2 3.1Å
576R96Very high94.5Very high166 Ų16648.4 Ų48.463%0.62623%0.228SC*.Hα-helixtrans-63.8-37.6175.4-73174.2-173.4-146.63.4112.8R572 W573 L574 K580R572-R576 WeakPolarHBondContact O-CB 3.41Å; R572-R576 VanDerWaalsContact O-CG 3.23Å; R572-R576 WeakPolarHBondContact O-CG 3.34Å; R572-R576 PolarHBondContact O-N 3.35Å; W573-R576 PolarHBondContact O-N 3.45Å; L574-R576 VanDerWaalsContact C-N 3.32Å; L574-R576 PolarHBondContact O-N 2.84Å; R576-K580 WeakPolarHBondContact O-CB 3.42Å; R576-K580 VanDerWaalsContact O-CG 3.24Å; R576-K580 WeakPolarHBondContact O-CG 3.23Å; R576-K580 PolarHBondContact O-N 2.93Å; R576-K580 VanDerWaalsContact O-N 3.14Å
577Q96.4Very high94.8Very high33 Ų3350.4 Ų50.415%0.15424%0.239CC..Hα-helixtrans-63.7-45.7174.2-64.5-50.1-63.600110.4V35 W573 L574 D575 K580 L581V35-Q577 HydrophobicContact CG1-CB 4.1Å; V35-Q577 WeakPolarHBondContact CG1-O 3.07Å; W573-Q577 HydrophobicContact CD2-CG 4.2Å; W573-Q577 HydrophobicContact CH2-CG 4.28Å; W573-Q577 HydrophobicContact CZ2-CG 3.82Å; W573-Q577 WeakPolarHBondContact O-CG 3.45Å; W573-Q577 PolarHBondContact O-N 2.85Å; L574-Q577 WeakPolarHBondContact O-CB 3.38Å; L574-Q577 PolarHBondContact O-N 2.92Å; L574-Q577 VanDerWaalsContact O-N 3.11Å; D575-Q577 PolarHBondContact O-N 3.25Å; Q577-K580 PolarHBondContact O-N 3.36Å; Q577-L581 WeakPolarHBondContact O-CB 3.44Å; Q577-L581 PolarHBondContact O-N 2.91Å
578L97.2Very high95.2Very high3 Ų350.9 Ų50.92%0.01624%0.235CC..Hα-helixtrans-62.2-46.8180179.960.3000112.1L574 D575 K580 L581 C582 Y605 P606 M609 F784 L788L574-L578 PolarHBondContact O-N 2.85Å; D575-L578 PolarHBondContact O-N 3.28Å; L578-K580 PolarHBondContact O-N 3.45Å; L578-L581 PolarHBondContact O-N 2.77Å; L578-C582 WeakPolarHBondContact O-CB 3.33Å; L578-C582 PolarHBondContact O-N 3.1Å; L578-C582 PolarHBondContact O-SG 2.88Å; L578-C582 VanDerWaalsContact O-SG 3.38Å; L578-Y605 HydrophobicContact CD1-CD1 3.73Å; L578-Y605 HydrophobicContact CD1-CE1 3.8Å; L578-P606 HydrophobicContact CD1-CB 4.23Å; L578-P606 HydrophobicContact CD1-CG 4.17Å; L578-M609 HydrophobicContact CD1-CG 4.1Å; L578-M609 HydrophobicContact CD2-CB 3.87Å; L578-M609 HydrophobicContact CD2-CG 4.28Å; L578-F784 HydrophobicContact CD2-CE1 3.95Å; L578-F784 HydrophobicContact CD2-CZ 3.55Å; L578-L788 HydrophobicContact CD1-CD2 4.36Å; L578-L788 HydrophobicContact CD2-CD1 4.09Å; L578-L788 HydrophobicContact CD2-CD2 3.79Å; L578-L788 HydrophobicContact CG-CD1 3.9Å; L578-L788 HydrophobicContact CG-CD2 4Å
579I96Very high95.4Very high30 Ų3056.6 Ų56.615%0.15425%0.25CC..Hα-helixtrans-59.1-47.2178.4-66.7157.7000110.7D575 L581 C582 H583 L788 L791 A797D575-I579 WeakPolarHBondContact O-CD1 3.18Å; D575-I579 VanDerWaalsContact O-CG1 3.25Å; D575-I579 WeakPolarHBondContact O-CG1 3.32Å; D575-I579 PolarHBondContact O-N 2.81Å; I579-L581 VanDerWaalsContact C-N 3.33Å; I579-L581 PolarHBondContact O-N 2.87Å; I579-C582 PolarHBondContact O-N 2.97Å; I579-H583 WeakPolarHBondContact O-CB 3.37Å; I579-H583 PolarHBondContact O-N 2.57Å; I579-L788 HydrophobicContact CG1-CD1 3.93Å; I579-L791 HydrophobicContact CD1-CB 4.37Å; I579-L791 HydrophobicContact CD1-CD1 3.59Å; I579-L791 HydrophobicContact CG1-CB 4.27Å; I579-L791 HydrophobicContact CG1-CD1 4.2Å; I579-L791 HydrophobicContact CG2-CB 4.35Å; I579-A797 HydrophobicContact CG2-CB 4.39Å
580K95.7Very high95.3Very high110 Ų11060.9 Ų60.948%0.47827%0.265SS..Hα-helixtrans-62.5-39.4179.2-73.5178.3178.3-168.80112.6V35 R576 Q577 L578 H583 K584V35-K580 HydrophobicContact CG1-CB 4.03Å; V35-K580 HydrophobicContact CG2-CB 3.71Å; R576-K580 WeakPolarHBondContact O-CB 3.42Å; R576-K580 VanDerWaalsContact O-CG 3.24Å; R576-K580 WeakPolarHBondContact O-CG 3.23Å; R576-K580 PolarHBondContact O-N 2.93Å; R576-K580 VanDerWaalsContact O-N 3.14Å; Q577-K580 PolarHBondContact O-N 3.36Å; L578-K580 PolarHBondContact O-N 3.45Å; K580-H583 PolarHBondContact O-N 3.04Å; K580-K584 WeakPolarHBondContact O-CB 3.05Å; K580-K584 PolarHBondContact O-N 2.99Å
581L96.3Very high95Very high0 Ų065.5 Ų65.50%029%0.29CS..Hα-helixtrans-65.6-47176.8177.7147.9000110.8V35 V36 F545 Q577 L578 I579 H583 K584 F585 F602 Y605V35-L581 HydrophobicContact CB-CB 4.31Å; V35-L581 HydrophobicContact CG1-CB 4.45Å; V36-L581 HydrophobicContact CG2-CD1 3.58Å; F545-L581 HydrophobicContact CZ-CD1 4.15Å; Q577-L581 WeakPolarHBondContact O-CB 3.44Å; Q577-L581 PolarHBondContact O-N 2.91Å; L578-L581 PolarHBondContact O-N 2.77Å; I579-L581 VanDerWaalsContact C-N 3.33Å; I579-L581 PolarHBondContact O-N 2.87Å; L581-H583 VanDerWaalsContact C-N 3.32Å; L581-H583 PolarHBondContact O-N 2.87Å; L581-K584 PolarHBondContact O-N 3.04Å; L581-K584 VanDerWaalsContact O-N 3.16Å; L581-F585 HydrophobicContact CG-CD2 4.15Å; L581-F585 WeakPolarHBondContact O-CD2 3.36Å; L581-F585 PolarHBondContact O-N 3.44Å; L581-F602 HydrophobicContact CD1-CD1 4.34Å; L581-F602 HydrophobicContact CD1-CE1 4.22Å; L581-F602 HydrophobicContact CD2-CD1 3.66Å; L581-F602 HydrophobicContact CD2-CE1 4.17Å; L581-F602 HydrophobicContact CG-CD1 4.29Å; L581-F602 HydrophobicContact CG-CE1 4.3Å; L581-Y605 HydrophobicContact CD1-CD1 4.19Å; L581-Y605 HydrophobicContact CD1-CE1 3.86Å; L581-Y605 HydrophobicContact CD2-CD1 4.06Å; L581-Y605 HydrophobicContact CD2-CE1 4.35Å
582C96.3Very high95Very high0 Ų066.6 Ų66.60%030%0.295CS..Hα-helixtrans-60.9-40.3176.2-73.10000112.3L578 I579 G586 F596 A792L578-C582 WeakPolarHBondContact O-CB 3.33Å; L578-C582 PolarHBondContact O-N 3.1Å; L578-C582 PolarHBondContact O-SG 2.88Å; L578-C582 VanDerWaalsContact O-SG 3.38Å; I579-C582 PolarHBondContact O-N 2.97Å; C582-G586 VanDerWaalsContact O-CA 3.26Å; C582-G586 WeakPolarHBondContact O-CA 3.41Å; C582-G586 PolarHBondContact O-N 2.72Å; C582-F596 HydrophobicContact CB-CE2 4.1Å; C582-F596 HydrophobicContact CB-CZ 3.71Å; C582-A792 HydrophobicContact CB-CB 3.78Å
583H93.7Very high94.9Very high81 Ų8162.3 Ų62.338%0.37528%0.284SS..Hα-helixtrans-64.8-38.6175-179.5-73.9000111.9I579 K580 L581 Y588 A792I579-H583 WeakPolarHBondContact O-CB 3.37Å; I579-H583 PolarHBondContact O-N 2.57Å; K580-H583 PolarHBondContact O-N 3.04Å; L581-H583 VanDerWaalsContact C-N 3.32Å; L581-H583 PolarHBondContact O-N 2.87Å; H583-Y588 PolarHBondContact CD2-OH 2.74Å; H583-Y588 PolarHBondContact CE1-OH 2.72Å; H583-Y588 VanDerWaalsContact CG-OH 3.28Å; H583-Y588 PolarHBondContact NE2-OH 2.82Å; H583-Y588 VanDerWaalsContact NE2-OH 3.14Å; H583-Y588 PolarHBondContact O-OH 3.03Å; H583-Y588 VanDerWaalsContact O-OH 3.05Å; H583-A792 PolarHBondContact CD2-O 3.25Å
584K93Very high94.7Very high67 Ų6765.7 Ų65.729%0.29131%0.311SS..Hα-helixtrans-73.9-39.8-179.2176.465.2-177.4-174.20113.3Q33 K580 L581Q33-K584 HydrophobicContact CB-CD 4.49Å; Q33-K584 WeakPolarHBondContact O-CG 3.15Å; K580-K584 WeakPolarHBondContact O-CB 3.05Å; K580-K584 PolarHBondContact O-N 2.99Å; L581-K584 PolarHBondContact O-N 3.04Å; L581-K584 VanDerWaalsContact O-N 3.16Å
585F94.9Very high94.7Very high8 Ų866.9 Ų66.94%0.03532%0.319CS..Hα-helixtrans-113-9-168.2-67.9-76.8000114.5W21 L538 M541 I542 L581 P599 F602W21-F585 HydrophobicContact CH2-CD2 4.47Å; W21-F585 AromaticContact CH2-CE1 3.96Å; W21-F585 HydrophobicContact CH2-CE1 3.96Å; W21-F585 AromaticContact CH2-CE2 3.64Å; W21-F585 HydrophobicContact CH2-CE2 3.64Å; W21-F585 AromaticContact CH2-CZ 3.33Å; W21-F585 HydrophobicContact CH2-CZ 3.33Å; W21-F585 HydrophobicContact CZ2-CE2 4.14Å; W21-F585 HydrophobicContact CZ2-CZ 4.11Å; W21-F585 HydrophobicContact CZ3-CE1 4.31Å; W21-F585 HydrophobicContact CZ3-CZ 4.03Å; L538-F585 HydrophobicContact CD1-CD1 4.36Å; L538-F585 HydrophobicContact CD1-CE1 4Å; M541-F585 HydrophobicContact CE-CE1 3.61Å; M541-F585 HydrophobicContact CE-CZ 3.72Å; I542-F585 HydrophobicContact CG1-CD1 3.91Å; I542-F585 HydrophobicContact CG1-CE1 4.33Å; L581-F585 HydrophobicContact CG-CD2 4.15Å; L581-F585 WeakPolarHBondContact O-CD2 3.36Å; L581-F585 PolarHBondContact O-N 3.44Å; F585-P599 VanDerWaalsContact O-CD 3.27Å; F585-P599 WeakPolarHBondContact O-CD 3.26Å; F585-F602 HydrophobicContact CB-CD1 4.43Å; F585-F602 HydrophobicContact CB-CE1 4.16Å; F585-F602 HydrophobicContact CB-CZ 4.23Å; F585-F602 HydrophobicContact CD1-CE1 4.38Å; F585-F602 HydrophobicContact CD1-CE2 4.38Å; F585-F602 AromaticContact CD1-CZ 3.84Å; F585-F602 HydrophobicContact CD1-CZ 3.84Å; F585-F602 AromaticContact CD2-CE1 3.9Å; F585-F602 HydrophobicContact CD2-CE1 3.9Å; F585-F602 HydrophobicContact CD2-CZ 4.17Å; F585-F602 HydrophobicContact CE1-CZ 4.19Å; F585-F602 HydrophobicContact CE2-CE1 4.39Å; F585-F602 AromaticContact CG-CE1 3.89Å; F585-F602 HydrophobicContact CG-CE1 3.89Å; F585-F602 HydrophobicContact CG-CE2 4.49Å; F585-F602 AromaticContact CG-CZ 3.82Å; F585-F602 HydrophobicContact CG-CZ 3.82Å
586G94.4Very high94.7Very high14 Ų1465.6 Ų65.614%0.14431%0.312CS..  trans-75.3146.517300000111.9C582 Y588 R597C582-G586 VanDerWaalsContact O-CA 3.26Å; C582-G586 WeakPolarHBondContact O-CA 3.41Å; C582-G586 PolarHBondContact O-N 2.72Å; G586-Y588 WeakPolarHBondContact O-CD1 3.38Å; G586-Y588 WeakPolarHBondContact O-CE1 3.39Å; G586-R597 CarbonylContact C-O 3.54Å; G586-R597 VanDerWaalsContact CA-O 3.31Å; G586-R597 WeakPolarHBondContact CA-O 3.49Å
587D93.8Very high94.7Very high122 Ų12266.6 Ų66.665%0.65232%0.316SS*.BIsolated β-bridgetrans-96.6127.2164.8-173.210.2000108.5F596 R597D587-F596 WeakPolarHBondContact O-CA 3.37Å; D587-R597 PolarHBondContact N-O 2.7Å; D587-R597 PolarHBondContact O-N 2.87Å
588Y95.2Very high94.7Very high49 Ų4966.8 Ų66.819%0.19232%0.318CS..  trans-164.5156.8-176.955-88.4000112H583 G586 F596 V793H583-Y588 PolarHBondContact CD2-OH 2.74Å; H583-Y588 PolarHBondContact CE1-OH 2.72Å; H583-Y588 VanDerWaalsContact CG-OH 3.28Å; H583-Y588 PolarHBondContact NE2-OH 2.82Å; H583-Y588 VanDerWaalsContact NE2-OH 3.14Å; H583-Y588 PolarHBondContact O-OH 3.03Å; H583-Y588 VanDerWaalsContact O-OH 3.05Å; G586-Y588 WeakPolarHBondContact O-CD1 3.38Å; G586-Y588 WeakPolarHBondContact O-CE1 3.39Å; Y588-F596 AromaticContact CD1-CD2 3.85Å; Y588-F596 HydrophobicContact CD1-CD2 3.85Å; Y588-F596 HydrophobicContact CD1-CE2 4.16Å; Y588-F596 HydrophobicContact CG-CD2 4.28Å; Y588-V793 HydrophobicContact CD1-CG1 4.38Å; Y588-V793 HydrophobicContact CD2-CB 3.76Å; Y588-V793 HydrophobicContact CD2-CG1 3.67Å; Y588-V793 HydrophobicContact CE2-CB 4.28Å; Y588-V793 HydrophobicContact CE2-CG1 4.46Å; Y588-V793 HydrophobicContact CG-CB 4.26Å; Y588-V793 HydrophobicContact CG-CG1 3.63Å
589R94.4Very high94.6Very high181 Ų18168.2 Ų68.268%0.68333%0.327SS*.  trans-88.8137.5162.5-56.7175.6-158169.75.5108D591 D592 S595R589-D591 PolarHBondContact O-N 2.71Å; R589-D592 HydrophobicContact CB-CB 4.09Å; R589-D592 PolarHBondContact O-N 3.37Å; R589-S595 PolarHBondContact N-OG 3.15Å
590K91.8Very high94.5Very high167 Ų16769.1 Ų69.173%0.72634%0.344SS*.THydrogen-bonded Turntrans-54.1137.1178.8-67.6-174.2177.6-175.80110.6D592K590-D592 PolarHBondContact O-N 2.92Å
591D91Very high94.5Very high98 Ų9867 Ų6752%0.52434%0.336SS..THydrogen-bonded Turntrans57.317.1177.3-48.8-57.8000114.5R589 P593 V793 S795R589-D591 PolarHBondContact O-N 2.71Å; D591-P593 WeakPolarHBondContact O-CD 3.41Å; D591-V793 PolarHBondContact N-O 3.3Å; D591-S795 PolarHBondContact OD1-N 3.29Å; D591-S795 VanDerWaalsContact OD1-N 3.13Å; D591-S795 PolarHBondContact OD1-OG 2.98Å
592D93.9Very high94.6Very high44 Ų4467 Ų6724%0.23534%0.336CS..  trans-118.891.2173.2176.56.8000110.7R589 K590 T594 S595R589-D592 HydrophobicContact CB-CB 4.09Å; R589-D592 PolarHBondContact O-N 3.37Å; K590-D592 PolarHBondContact O-N 2.92Å; D592-T594 PolarHBondContact O-N 3.47Å; D592-T594 VanDerWaalsContact O-N 3.14Å; D592-T594 WeakPolarHBondContact OD1-CB 3.5Å; D592-T594 PolarHBondContact OD1-N 2.73Å; D592-T594 VanDerWaalsContact OD1-N 3.07Å; D592-T594 PolarHBondContact OD1-OG1 2.87Å; D592-S595 PolarHBondContact O-N 3.07Å; D592-S595 PolarHBondContact O-OG 2.78Å; D592-S595 PolarHBondContact OD1-N 2.76Å
593P92.8Very high94.5Very high41 Ų4169.4 Ų69.427%0.26635%0.353SS..G310 helixtrans-63.7-20.6-177.7-21.932.8000113.9D591 S595 F596 K789 K790 V793D591-P593 WeakPolarHBondContact O-CD 3.41Å; P593-S595 VanDerWaalsContact C-N 3.29Å; P593-F596 PolarHBondContact O-N 3.09Å; P593-K789 HydrophobicContact CB-CB 4.18Å; P593-K790 HydrophobicContact CB-CG 4.06Å; P593-K790 HydrophobicContact CG-CB 4.41Å; P593-K790 HydrophobicContact CG-CG 3.76Å; P593-V793 HydrophobicContact CB-CG2 4.34Å; P593-V793 HydrophobicContact CG-CG2 3.94Å
594T94.3Very high94.5Very high125 Ų12570.8 Ų70.877%0.76736%0.358SS*.G310 helixtrans-75.7-23.6-178.972.90000112.1D592 F596D592-T594 PolarHBondContact O-N 3.47Å; D592-T594 VanDerWaalsContact O-N 3.14Å; D592-T594 WeakPolarHBondContact OD1-CB 3.5Å; D592-T594 PolarHBondContact OD1-N 2.73Å; D592-T594 VanDerWaalsContact OD1-N 3.07Å; D592-T594 PolarHBondContact OD1-OG1 2.87Å; T594-F596 VanDerWaalsContact C-N 3.31Å
595S95.4Very high94.8Very high24 Ų2467.6 Ų67.617%0.16834%0.344CS..G310 helixtrans-77.2-15.4176.971.80000114R589 D592 P593 R597R589-S595 PolarHBondContact N-OG 3.15Å; D592-S595 PolarHBondContact O-N 3.07Å; D592-S595 PolarHBondContact O-OG 2.78Å; D592-S595 PolarHBondContact OD1-N 2.76Å; P593-S595 VanDerWaalsContact C-N 3.29Å; S595-R597 PolarHBondContact O-N 2.72Å
596F96.1Very high94.9Very high14 Ų1467.2 Ų67.26%0.06134%0.342CS..  trans-65.8124-171.1-177.7-92.1000113.1C582 D587 Y588 P593 T594 L598 K789 A792 V793C582-F596 HydrophobicContact CB-CE2 4.1Å; C582-F596 HydrophobicContact CB-CZ 3.71Å; D587-F596 WeakPolarHBondContact O-CA 3.37Å; Y588-F596 AromaticContact CD1-CD2 3.85Å; Y588-F596 HydrophobicContact CD1-CD2 3.85Å; Y588-F596 HydrophobicContact CD1-CE2 4.16Å; Y588-F596 HydrophobicContact CG-CD2 4.28Å; P593-F596 PolarHBondContact O-N 3.09Å; T594-F596 VanDerWaalsContact C-N 3.31Å; F596-L598 HydrophobicContact CE1-CD1 4.06Å; F596-L598 HydrophobicContact CE1-CD2 4.36Å; F596-L598 HydrophobicContact CE1-CG 3.71Å; F596-L598 HydrophobicContact CZ-CD1 4.19Å; F596-L598 HydrophobicContact CZ-CD2 3.82Å; F596-L598 HydrophobicContact CZ-CG 3.7Å; F596-K789 HydrophobicContact CB-CB 4.38Å; F596-K789 HydrophobicContact CB-CG 4.06Å; F596-K789 HydrophobicContact CD1-CD 4.44Å; F596-K789 HydrophobicContact CD1-CG 3.62Å; F596-K789 HydrophobicContact CE1-CG 4.36Å; F596-K789 HydrophobicContact CG-CG 4.04Å; F596-A792 HydrophobicContact CD2-CB 4.13Å; F596-A792 HydrophobicContact CE2-CB 3.69Å; F596-A792 HydrophobicContact CZ-CB 4.25Å; F596-V793 HydrophobicContact CB-CG1 3.99Å; F596-V793 HydrophobicContact CD2-CG1 3.95Å; F596-V793 HydrophobicContact CG-CG1 4.4Å
597R95.7Very high94.9Very high187 Ų18768 Ų6871%0.70634%0.342SS*.BIsolated β-bridgetrans-133.2139.1177.2-62.8-88.6-179.5166.8-1.5109.3G586 D587 S595G586-R597 CarbonylContact C-O 3.54Å; G586-R597 VanDerWaalsContact CA-O 3.31Å; G586-R597 WeakPolarHBondContact CA-O 3.49Å; D587-R597 PolarHBondContact N-O 2.7Å; D587-R597 PolarHBondContact O-N 2.87Å; S595-R597 PolarHBondContact O-N 2.72Å
598L96Very high95Very high37 Ų3763.1 Ų63.119%0.19432%0.315CS..  trans-103.6146.3167.3-76.4169.9000109.8F596 F602 P606F596-L598 HydrophobicContact CE1-CD1 4.06Å; F596-L598 HydrophobicContact CE1-CD2 4.36Å; F596-L598 HydrophobicContact CE1-CG 3.71Å; F596-L598 HydrophobicContact CZ-CD1 4.19Å; F596-L598 HydrophobicContact CZ-CD2 3.82Å; F596-L598 HydrophobicContact CZ-CG 3.7Å; L598-F602 HydrophobicContact CB-CB 4.26Å; L598-F602 HydrophobicContact CD2-CB 4.24Å; L598-P606 HydrophobicContact CD1-CG 3.56Å
599P95.6Very high95.1Very high33 Ų3360.9 Ų60.921%0.21431%0.306CS..  trans-57.7154.6166.5-19.230.5000111.3I542 F585 E601 F602 S603I542-P599 HydrophobicContact CD1-CG 4.13Å; I542-P599 HydrophobicContact CG2-CB 3.46Å; I542-P599 VanDerWaalsContact CG2-CB 3.46Å; I542-P599 HydrophobicContact CG2-CG 3.73Å; F585-P599 VanDerWaalsContact O-CD 3.27Å; F585-P599 WeakPolarHBondContact O-CD 3.26Å; P599-E601 PolarHBondContact O-N 2.87Å; P599-F602 HydrophobicContact CB-CD2 4.08Å; P599-F602 HydrophobicContact CG-CD2 4.16Å; P599-F602 PolarHBondContact O-N 3.12Å; P599-S603 PolarHBondContact O-N 3.3Å
600G94.5Very high95.2Very high50 Ų5052.3 Ų52.352%0.51527%0.274SS..G310 helixtrans-57-35.6-175.600000113.1Q547 F602 S603Q547-G600 PolarHBondContact NE2-O 3.46Å; G600-F602 PolarHBondContact O-N 3.21Å; G600-S603 WeakPolarHBondContact O-CB 3.35Å; G600-S603 PolarHBondContact O-N 3.09Å; G600-S603 PolarHBondContact O-OG 2.76Å
601E95.8Very high95.3Very high65 Ų6544.8 Ų44.830%0.30424%0.242SC..G310 helixtrans-64.3-19.7178.3-61.883.8173.800113.6F545 Q547 P599F545-E601 HydrophobicContact CB-CB 4.48Å; F545-E601 WeakPolarHBondContact CD1-O 3.3Å; Q547-E601 WeakPolarHBondContact CB-O 3.41Å; Q547-E601 WeakPolarHBondContact CG-O 3.23Å; Q547-E601 PolarHBondContact NE2-O 3.36Å; Q547-E601 PolarHBondContact OE1-O 3.09Å; P599-E601 PolarHBondContact O-N 2.87Å
602F97.2Very high95.5Very high0 Ų040.1 Ų40.10%022%0.217CC..G310 helixtrans-109.6-5.6179.4-66.1-100.1000112.9W21 I542 F545 L581 F585 L598 P599 G600 F604 Y605 P606W21-F602 AromaticContact CH2-CE1 3.91Å; W21-F602 HydrophobicContact CH2-CE1 3.91Å; W21-F602 AromaticContact CH2-CZ 3.66Å; W21-F602 HydrophobicContact CH2-CZ 3.66Å; W21-F602 AromaticContact CZ3-CZ 3.93Å; W21-F602 HydrophobicContact CZ3-CZ 3.93Å; I542-F602 HydrophobicContact CB-CE2 4.27Å; I542-F602 HydrophobicContact CG1-CE2 4.28Å; I542-F602 HydrophobicContact CG2-CD2 4.41Å; I542-F602 HydrophobicContact CG2-CE2 3.96Å; F545-F602 HydrophobicContact CB-CD2 4.48Å; F545-F602 HydrophobicContact CB-CE1 4.12Å; F545-F602 HydrophobicContact CB-CE2 3.69Å; F545-F602 HydrophobicContact CB-CZ 3.49Å; F545-F602 VanDerWaalsContact CB-CZ 3.49Å; F545-F602 AromaticContact CD1-CD1 3.4Å; F545-F602 HydrophobicContact CD1-CD1 3.4Å; F545-F602 AromaticContact CD1-CD2 3.99Å; F545-F602 HydrophobicContact CD1-CD2 3.99Å; F545-F602 AromaticContact CD1-CE1 3.32Å; F545-F602 HydrophobicContact CD1-CE1 3.32Å; F545-F602 AromaticContact CD1-CE2 3.89Å; F545-F602 HydrophobicContact CD1-CE2 3.89Å; F545-F602 AromaticContact CD1-CG 3.75Å; F545-F602 HydrophobicContact CD1-CG 3.75Å; F545-F602 AromaticContact CD1-CZ 3.58Å; F545-F602 HydrophobicContact CD1-CZ 3.58Å; F545-F602 AromaticContact CD2-CE1 3.96Å; F545-F602 HydrophobicContact CD2-CE1 3.96Å; F545-F602 HydrophobicContact CD2-CZ 4.11Å; F545-F602 AromaticContact CE1-CD1 3.41Å; F545-F602 HydrophobicContact CE1-CD1 3.41Å; F545-F602 VanDerWaalsContact CE1-CD1 3.41Å; F545-F602 AromaticContact CE1-CE1 3.57Å; F545-F602 HydrophobicContact CE1-CE1 3.57Å; F545-F602 HydrophobicContact CE1-CG 4.06Å; F545-F602 HydrophobicContact CE1-CZ 4.3Å; F545-F602 HydrophobicContact CE2-CE1 4.17Å; F545-F602 HydrophobicContact CG-CD1 4.11Å; F545-F602 AromaticContact CG-CE1 3.52Å; F545-F602 HydrophobicContact CG-CE1 3.52Å; F545-F602 AromaticContact CG-CE2 3.98Å; F545-F602 HydrophobicContact CG-CE2 3.98Å; F545-F602 AromaticContact CG-CZ 3.45Å; F545-F602 HydrophobicContact CG-CZ 3.45Å; F545-F602 VanDerWaalsContact CG-CZ 3.45Å; F545-F602 HydrophobicContact CZ-CD1 4.13Å; F545-F602 AromaticContact CZ-CE1 3.99Å; F545-F602 HydrophobicContact CZ-CE1 3.99Å; L581-F602 HydrophobicContact CD1-CD1 4.34Å; L581-F602 HydrophobicContact CD1-CE1 4.22Å; L581-F602 HydrophobicContact CD2-CD1 3.66Å; L581-F602 HydrophobicContact CD2-CE1 4.17Å; L581-F602 HydrophobicContact CG-CD1 4.29Å; L581-F602 HydrophobicContact CG-CE1 4.3Å; F585-F602 HydrophobicContact CB-CD1 4.43Å; F585-F602 HydrophobicContact CB-CE1 4.16Å; F585-F602 HydrophobicContact CB-CZ 4.23Å; F585-F602 HydrophobicContact CD1-CE1 4.38Å; F585-F602 HydrophobicContact CD1-CE2 4.38Å; F585-F602 AromaticContact CD1-CZ 3.84Å; F585-F602 HydrophobicContact CD1-CZ 3.84Å; F585-F602 AromaticContact CD2-CE1 3.9Å; F585-F602 HydrophobicContact CD2-CE1 3.9Å; F585-F602 HydrophobicContact CD2-CZ 4.17Å; F585-F602 HydrophobicContact CE1-CZ 4.19Å; F585-F602 HydrophobicContact CE2-CE1 4.39Å; F585-F602 AromaticContact CG-CE1 3.89Å; F585-F602 HydrophobicContact CG-CE1 3.89Å; F585-F602 HydrophobicContact CG-CE2 4.49Å; F585-F602 AromaticContact CG-CZ 3.82Å; F585-F602 HydrophobicContact CG-CZ 3.82Å; L598-F602 HydrophobicContact CB-CB 4.26Å; L598-F602 HydrophobicContact CD2-CB 4.24Å; P599-F602 HydrophobicContact CB-CD2 4.08Å; P599-F602 HydrophobicContact CG-CD2 4.16Å; P599-F602 PolarHBondContact O-N 3.12Å; G600-F602 PolarHBondContact O-N 3.21Å; F602-F604 PolarHBondContact O-N 3.25Å; F602-Y605 WeakPolarHBondContact O-CB 3.23Å; F602-Y605 PolarHBondContact O-N 3.48Å; F602-Y605 VanDerWaalsContact O-N 3.13Å; F602-P606 WeakPolarHBondContact O-CD 2.98Å
603S94.9Very high95.5Very high51 Ų5140.9 Ų40.936%0.35722%0.216SC..THydrogen-bonded Turntrans-61.8-36.2-164.958.80000114.5P599 G600P599-S603 PolarHBondContact O-N 3.3Å; G600-S603 WeakPolarHBondContact O-CB 3.35Å; G600-S603 PolarHBondContact O-N 3.09Å; G600-S603 PolarHBondContact O-OG 2.76Å
604F94.8Very high95.4Very high109 Ų10941.8 Ų41.848%0.47821%0.214SC..THydrogen-bonded Turntrans-90.1-15.6177.8-60.2-70.5000113.1Q547 F602 Q607 F608Q547-F604 VanDerWaalsContact OE1-CB 3.29Å; F602-F604 PolarHBondContact O-N 3.25Å; F604-Q607 WeakPolarHBondContact O-CA 3.34Å; F604-Q607 WeakPolarHBondContact O-CB 3.37Å; F604-Q607 PolarHBondContact O-N 2.97Å; F604-F608 HydrophobicContact CB-CD2 4.16Å; F604-F608 HydrophobicContact CB-CE2 3.68Å; F604-F608 HydrophobicContact CB-CZ 4.05Å; F604-F608 WeakPolarHBondContact O-CD2 3.42Å; F604-F608 PolarHBondContact O-N 3.37Å
605Y97.7Very high95.3Very high1 Ų136.1 Ų36.10%0.00418%0.18CC..Hα-helixtrans-55-45.9-178.4-174.3-98.4000113.7V36 F545 Q547 A550 L578 L581 F602 Q607 F608 M609V36-Y605 WeakPolarHBondContact CG2-OH 3.4Å; F545-Y605 HydrophobicContact CE1-CD2 4.29Å; F545-Y605 HydrophobicContact CE1-CG 4.37Å; F545-Y605 HydrophobicContact CZ-CD2 4.09Å; F545-Y605 HydrophobicContact CZ-CE2 4.32Å; F545-Y605 HydrophobicContact CZ-CG 4.43Å; Q547-Y605 HydrophobicContact CB-CD2 4.42Å; Q547-Y605 VanDerWaalsContact OE1-N 3.14Å; A550-Y605 HydrophobicContact CB-CD2 4.33Å; A550-Y605 HydrophobicContact CB-CE2 3.97Å; L578-Y605 HydrophobicContact CD1-CD1 3.73Å; L578-Y605 HydrophobicContact CD1-CE1 3.8Å; L581-Y605 HydrophobicContact CD1-CD1 4.19Å; L581-Y605 HydrophobicContact CD1-CE1 3.86Å; L581-Y605 HydrophobicContact CD2-CD1 4.06Å; L581-Y605 HydrophobicContact CD2-CE1 4.35Å; F602-Y605 WeakPolarHBondContact O-CB 3.23Å; F602-Y605 PolarHBondContact O-N 3.48Å; F602-Y605 VanDerWaalsContact O-N 3.13Å; Y605-Q607 VanDerWaalsContact C-N 3.31Å; Y605-Q607 PolarHBondContact O-N 2.89Å; Y605-F608 PolarHBondContact O-N 3.25Å; Y605-M609 HydrophobicContact CD1-CG 4.21Å; Y605-M609 HydrophobicContact CD2-CE 4.42Å; Y605-M609 HydrophobicContact CE1-CG 3.81Å; Y605-M609 HydrophobicContact CE1-SD 4.28Å; Y605-M609 HydrophobicContact CE2-CE 3.86Å; Y605-M609 HydrophobicContact CE2-SD 4.32Å; Y605-M609 WeakPolarHBondContact O-CG 3.42Å; Y605-M609 PolarHBondContact O-N 2.77Å
606P97.2Very high95.2Very high0 Ų036.3 Ų36.30%018%0.178CC..Hα-helixtrans-58.8-38.5173-25.934.9000114.2L578 L598 F602 M609 F610 M785 L788L578-P606 HydrophobicContact CD1-CB 4.23Å; L578-P606 HydrophobicContact CD1-CG 4.17Å; L598-P606 HydrophobicContact CD1-CG 3.56Å; F602-P606 WeakPolarHBondContact O-CD 2.98Å; P606-M609 PolarHBondContact O-N 3.25Å; P606-F610 PolarHBondContact O-N 3.11Å; P606-M785 HydrophobicContact CB-CE 3.89Å; P606-M785 HydrophobicContact CB-SD 3.51Å; P606-M785 VanDerWaalsContact CB-SD 3.51Å; P606-M785 HydrophobicContact CG-CE 4.23Å; P606-M785 HydrophobicContact CG-SD 4.46Å; P606-L788 HydrophobicContact CB-CD2 3.75Å; P606-L788 HydrophobicContact CG-CD2 4.13Å
607Q94.5Very high95.1Very high30 Ų3035.6 Ų35.614%0.1418%0.175CC..Hα-helixtrans-66.7-42.9177.6175.5176.50.300111F604 Y605 M609 F610 H611 L781F604-Q607 WeakPolarHBondContact O-CA 3.34Å; F604-Q607 WeakPolarHBondContact O-CB 3.37Å; F604-Q607 PolarHBondContact O-N 2.97Å; Y605-Q607 VanDerWaalsContact C-N 3.31Å; Y605-Q607 PolarHBondContact O-N 2.89Å; Q607-M609 VanDerWaalsContact C-N 3.31Å; Q607-M609 PolarHBondContact O-N 3.22Å; Q607-F610 WeakPolarHBondContact O-CB 3.38Å; Q607-F610 PolarHBondContact O-N 2.92Å; Q607-H611 PolarHBondContact O-CD2 3.14Å; Q607-H611 PolarHBondContact O-N 3.44Å; Q607-L781 HydrophobicContact CB-CD1 4.31Å; Q607-L781 HydrophobicContact CB-CD2 4.49Å; Q607-L781 HydrophobicContact CG-CD1 4.33Å; Q607-L781 HydrophobicContact CG-CD2 3.94Å
608F96.8Very high95Very high20 Ų2026.9 Ų26.99%0.08814%0.142CC..Hα-helixtrans-59.7-42.1173.1-68.6-44.1000112.1Q547 E548 T551 F604 Y605 F610 H611 M612 L644 Q648Q547-F608 HydrophobicContact CG-CE2 4.32Å; E548-F608 HydrophobicContact CG-CE2 4.43Å; T551-F608 HydrophobicContact CG2-CB 3.58Å; T551-F608 HydrophobicContact CG2-CD2 4.44Å; T551-F608 HydrophobicContact CG2-CG 4.01Å; T551-F608 WeakPolarHBondContact OG1-CB 3.29Å; T551-F608 VanDerWaalsContact OG1-CD2 3.26Å; T551-F608 WeakPolarHBondContact OG1-CD2 3.46Å; F604-F608 HydrophobicContact CB-CD2 4.16Å; F604-F608 HydrophobicContact CB-CE2 3.68Å; F604-F608 HydrophobicContact CB-CZ 4.05Å; F604-F608 WeakPolarHBondContact O-CD2 3.42Å; F604-F608 PolarHBondContact O-N 3.37Å; Y605-F608 PolarHBondContact O-N 3.25Å; F608-F610 VanDerWaalsContact C-N 3.35Å; F608-H611 PolarHBondContact O-N 3.2Å; F608-M612 WeakPolarHBondContact O-CB 3.39Å; F608-M612 PolarHBondContact O-N 2.8Å; F608-L644 HydrophobicContact CD1-CD2 4.12Å; F608-L644 HydrophobicContact CE1-CD2 4.06Å; F608-L644 HydrophobicContact CG-CD2 4.45Å; F608-L644 HydrophobicContact CZ-CD2 4.31Å; F608-Q648 HydrophobicContact CD1-CB 4.27Å; F608-Q648 VanDerWaalsContact CE1-OE1 3.22Å
609M97.2Very high94.7Very high1 Ų128.8 Ų28.81%0.00515%0.15CC..Hα-helixtrans-65.4-38.2175.9-65.4-56.496.500111.9T551 I554 L574 L578 Y605 P606 Q607 M612 R613T551-M609 HydrophobicContact CG2-CE 3.74Å; I554-M609 HydrophobicContact CG2-SD 3.99Å; L574-M609 HydrophobicContact CD1-SD 3.58Å; L574-M609 VanDerWaalsContact CD1-SD 3.58Å; L574-M609 HydrophobicContact CG-SD 4.26Å; L578-M609 HydrophobicContact CD1-CG 4.1Å; L578-M609 HydrophobicContact CD2-CB 3.87Å; L578-M609 HydrophobicContact CD2-CG 4.28Å; Y605-M609 HydrophobicContact CD1-CG 4.21Å; Y605-M609 HydrophobicContact CD2-CE 4.42Å; Y605-M609 HydrophobicContact CE1-CG 3.81Å; Y605-M609 HydrophobicContact CE1-SD 4.28Å; Y605-M609 HydrophobicContact CE2-CE 3.86Å; Y605-M609 HydrophobicContact CE2-SD 4.32Å; Y605-M609 WeakPolarHBondContact O-CG 3.42Å; Y605-M609 PolarHBondContact O-N 2.77Å; P606-M609 PolarHBondContact O-N 3.25Å; Q607-M609 VanDerWaalsContact C-N 3.31Å; Q607-M609 PolarHBondContact O-N 3.22Å; M609-M612 PolarHBondContact O-N 3.45Å; M609-R613 WeakPolarHBondContact O-CG 3.45Å; M609-R613 PolarHBondContact O-N 2.9Å
610F95.2Very high94.5Very high2 Ų228.4 Ų28.41%0.00915%0.147CC..Hα-helixtrans-57.2-50.7172.8169.8-99.6000111.6P606 Q607 F608 R613 R614 V779 L781 F784P606-F610 PolarHBondContact O-N 3.11Å; Q607-F610 WeakPolarHBondContact O-CB 3.38Å; Q607-F610 PolarHBondContact O-N 2.92Å; F608-F610 VanDerWaalsContact C-N 3.35Å; F610-R613 PolarHBondContact O-N 3.09Å; F610-R614 PolarHBondContact O-N 2.99Å; F610-V779 VanDerWaalsContact CE2-O 3.3Å; F610-V779 WeakPolarHBondContact CE2-O 3.35Å; F610-V779 WeakPolarHBondContact CZ-O 3.47Å; F610-L781 HydrophobicContact CB-CD1 3.76Å; F610-L781 HydrophobicContact CD1-CB 4.18Å; F610-L781 HydrophobicContact CD1-CD1 3.68Å; F610-L781 HydrophobicContact CD1-CG 4.44Å; F610-L781 HydrophobicContact CD2-CD1 4.25Å; F610-L781 HydrophobicContact CE1-CB 3.92Å; F610-L781 HydrophobicContact CE1-CD1 4.31Å; F610-L781 HydrophobicContact CG-CD1 3.63Å; F610-L781 HydrophobicContact CZ-CB 4.12Å; F610-F784 HydrophobicContact CB-CD1 3.86Å; F610-F784 HydrophobicContact CB-CE1 3.82Å; F610-F784 HydrophobicContact CB-CG 4.36Å; F610-F784 HydrophobicContact CB-CZ 4.29Å; F610-F784 HydrophobicContact CD2-CB 3.75Å; F610-F784 AromaticContact CD2-CD1 3.98Å; F610-F784 HydrophobicContact CD2-CD1 3.98Å; F610-F784 HydrophobicContact CD2-CD2 4.04Å; F610-F784 AromaticContact CD2-CG 3.65Å; F610-F784 HydrophobicContact CD2-CG 3.65Å; F610-F784 HydrophobicContact CE2-CB 4.08Å; F610-F784 HydrophobicContact CE2-CG 4.44Å; F610-F784 HydrophobicContact CG-CD1 4.3Å; F610-F784 HydrophobicContact CG-CG 4.42Å
611H94.7Very high94.1Very high9 Ų933.8 Ų33.84%0.04216%0.157CC..Hα-helixtrans-67.8-37.1178.6-69.4-69.5000112.3Q607 F608 R613 R614 S615 I647 Q648Q607-H611 PolarHBondContact O-CD2 3.14Å; Q607-H611 PolarHBondContact O-N 3.44Å; F608-H611 PolarHBondContact O-N 3.2Å; H611-R613 VanDerWaalsContact C-N 3.31Å; H611-R613 PolarHBondContact O-N 3.36Å; H611-R614 CarbonylContact O-C 3.6Å; H611-R614 PolarHBondContact O-N 2.92Å; H611-R614 VanDerWaalsContact O-N 3.11Å; H611-S615 WeakPolarHBondContact O-CB 3.49Å; H611-S615 PolarHBondContact O-N 2.78Å; H611-I647 HydrophobicContact CB-CG2 4.28Å; H611-I647 WeakPolarHBondContact CB-O 3.45Å; H611-Q648 HydrophobicContact CB-CB 4.16Å; H611-Q648 PolarHBondContact CD2-OE1 3.47Å
612M95.3Very high93.8Very high0 Ų037.2 Ų37.20%018%0.177CC..Hα-helixtrans-58.8-41.2174.5-174.363.9-164.500112A555 M559 L574 F608 M609 R614 S615 F617 L618 I647A555-M612 HydrophobicContact CB-CE 3.57Å; A555-M612 HydrophobicContact CB-CG 4.38Å; A555-M612 HydrophobicContact CB-SD 3.55Å; A555-M612 VanDerWaalsContact CB-SD 3.55Å; M559-M612 HydrophobicContact CG-CE 4.4Å; L574-M612 HydrophobicContact CD2-CG 4.25Å; F608-M612 WeakPolarHBondContact O-CB 3.39Å; F608-M612 PolarHBondContact O-N 2.8Å; M609-M612 PolarHBondContact O-N 3.45Å; M612-R614 VanDerWaalsContact C-N 3.26Å; M612-R614 PolarHBondContact O-N 3.47Å; M612-S615 WeakPolarHBondContact O-CB 3.39Å; M612-S615 PolarHBondContact O-N 3.44Å; M612-S615 PolarHBondContact O-OG 3.11Å; M612-F617 HydrophobicContact CE-CB 3.73Å; M612-F617 HydrophobicContact CE-CD2 4.29Å; M612-F617 HydrophobicContact CE-CG 4.37Å; M612-F617 HydrophobicContact SD-CD2 4.28Å; M612-L618 HydrophobicContact CE-CD1 4.19Å; M612-L618 HydrophobicContact CE-CD2 4.34Å; M612-L618 HydrophobicContact CE-CG 3.96Å; M612-L618 HydrophobicContact CG-CD1 4.2Å; M612-I647 HydrophobicContact CB-CG2 3.95Å; M612-I647 HydrophobicContact SD-CD1 3.92Å; M612-I647 HydrophobicContact SD-CG1 3.8Å; M612-I647 HydrophobicContact SD-CG2 4.32Å
613R93.2Very high93.6Very high60 Ų6038.6 Ų38.623%0.22618%0.184CC..Hα-helixtrans-62.2-31.5176.6-70.2164.780.2-104.3-0.9113.4L571 L574 D575 M609 F610 H611 Q619L571-R613 HydrophobicContact CD2-CB 3.93Å; L571-R613 HydrophobicContact CD2-CG 3.92Å; L574-R613 HydrophobicContact CD2-CG 3.71Å; D575-R613 WeakPolarHBondContact OD1-CD 3.38Å; D575-R613 IonicContact OD1-CZ 2.78Å; D575-R613 IonicContact OD1-NE 3.7Å; D575-R613 PolarHBondContact OD1-NE 2.87Å; D575-R613 IonicContact OD1-NH2 2.9Å; D575-R613 IonicContact OD2-CZ 2.78Å; D575-R613 IonicContact OD2-NE 3.16Å; D575-R613 IonicContact OD2-NH2 3.01Å; D575-R613 PolarHBondContact OD2-NH2 3.1Å; M609-R613 WeakPolarHBondContact O-CG 3.45Å; M609-R613 PolarHBondContact O-N 2.9Å; F610-R613 PolarHBondContact O-N 3.09Å; H611-R613 VanDerWaalsContact C-N 3.31Å; H611-R613 PolarHBondContact O-N 3.36Å; R613-Q619 WeakPolarHBondContact O-CG 3.41Å; R613-Q619 PolarHBondContact O-NE2 3.06Å; R613-Q619 VanDerWaalsContact O-NE2 3.08Å
614R91.2Very high93.7Very high60 Ų6037.3 Ų37.323%0.22618%0.175CC..Hα-helixtrans-92.3-11179.2-62.7178.371.8-148.5-0.2112.8F610 H611 M612 V750 D778F610-R614 PolarHBondContact O-N 2.99Å; H611-R614 CarbonylContact O-C 3.6Å; H611-R614 PolarHBondContact O-N 2.92Å; H611-R614 VanDerWaalsContact O-N 3.11Å; M612-R614 VanDerWaalsContact C-N 3.26Å; M612-R614 PolarHBondContact O-N 3.47Å; R614-V750 PolarHBondContact NH1-O 3.1Å; R614-V750 VanDerWaalsContact NH1-O 3.14Å; R614-D778 IonicContact CZ-OD2 3.65Å; R614-D778 IonicContact NE-OD2 3.15Å; R614-D778 PolarHBondContact NE-OD2 3.45Å; R614-D778 IonicContact NH2-OD2 3.86Å; R614-D778 PolarHBondContact NH2-OD2 3.49Å
615S92.6Very high93.8Very high6 Ų632.2 Ų32.24%0.04215%0.153CC..SBendtrans-69.4154-177.3760000112.1H611 M612 F617 L618 Q619H611-S615 WeakPolarHBondContact O-CB 3.49Å; H611-S615 PolarHBondContact O-N 2.78Å; M612-S615 WeakPolarHBondContact O-CB 3.39Å; M612-S615 PolarHBondContact O-N 3.44Å; M612-S615 PolarHBondContact O-OG 3.11Å; S615-F617 PolarHBondContact O-N 3.39Å; S615-F617 WeakPolarHBondContact OG-CD2 3.44Å; S615-F617 PolarHBondContact OG-N 3.17Å; S615-L618 PolarHBondContact O-N 3Å; S615-Q619 PolarHBondContact O-N 3.37Å
616Q92.6Very high93.9Very high27 Ų2732.3 Ų32.313%0.12615%0.154CC..THydrogen-bonded Turntrans-62.9-6.6175.365.3-165.40.300114.4Q619 Y631Q616-Q619 WeakPolarHBondContact CA-O 3.45Å; Q616-Y631 HydrophobicContact CB-CD2 4.33Å; Q616-Y631 VanDerWaalsContact CD-CD2 3.46Å; Q616-Y631 HydrophobicContact CG-CD2 3.81Å; Q616-Y631 HydrophobicContact CG-CE2 4.3Å; Q616-Y631 HydrophobicContact CG-CG 4.04Å; Q616-Y631 VanDerWaalsContact NE2-CD1 3.32Å; Q616-Y631 VanDerWaalsContact OE1-CE2 3.27Å
617F94.9Very high93.9Very high0 Ų035 Ų350%017%0.166CC..THydrogen-bonded Turntrans-76.9-32.5177-56.1-60.7000112.3M559 M612 S615 Y631 R632 L635 M646 I647 F682M559-F617 HydrophobicContact CG-CB 4.02Å; M559-F617 HydrophobicContact SD-CB 4.04Å; M559-F617 HydrophobicContact SD-CD1 3.86Å; M559-F617 HydrophobicContact SD-CG 4.14Å; M612-F617 HydrophobicContact CE-CB 3.73Å; M612-F617 HydrophobicContact CE-CD2 4.29Å; M612-F617 HydrophobicContact CE-CG 4.37Å; M612-F617 HydrophobicContact SD-CD2 4.28Å; S615-F617 PolarHBondContact O-N 3.39Å; S615-F617 WeakPolarHBondContact OG-CD2 3.44Å; S615-F617 PolarHBondContact OG-N 3.17Å; F617-Y631 WeakPolarHBondContact CE1-O 3.35Å; F617-R632 PolarHBondContact O-NE 2.9Å; F617-R632 VanDerWaalsContact O-NE 3.15Å; F617-R632 PolarHBondContact O-NH2 2.79Å; F617-L635 HydrophobicContact CB-CD2 4.47Å; F617-L635 HydrophobicContact CD1-CB 4.21Å; F617-L635 HydrophobicContact CD1-CD2 3.77Å; F617-L635 HydrophobicContact CD2-CD2 3.59Å; F617-L635 HydrophobicContact CE1-CB 3.61Å; F617-L635 HydrophobicContact CE1-CD2 3.77Å; F617-L635 HydrophobicContact CE1-CG 4.23Å; F617-L635 HydrophobicContact CE2-CD1 4.48Å; F617-L635 HydrophobicContact CE2-CD2 3.62Å; F617-L635 HydrophobicContact CE2-CG 4.45Å; F617-L635 HydrophobicContact CG-CD2 3.67Å; F617-L635 HydrophobicContact CZ-CB 3.83Å; F617-L635 HydrophobicContact CZ-CD1 4.3Å; F617-L635 HydrophobicContact CZ-CD2 3.69Å; F617-L635 HydrophobicContact CZ-CG 4.14Å; F617-M646 HydrophobicContact CE2-CB 3.77Å; F617-M646 HydrophobicContact CZ-CB 3.62Å; F617-M646 HydrophobicContact CZ-CG 4.31Å; F617-M646 HydrophobicContact CZ-SD 4Å; F617-I647 HydrophobicContact CE2-CG1 4.32Å; F617-F682 HydrophobicContact CZ-CE2 4.16Å
618L93.1Very high94Very high4 Ų433.8 Ų33.82%0.02116%0.161CC..THydrogen-bonded Turntrans-110.8-34.4178.5-58.9-177.4000112.5A558 A562 V570 L571 L574 M612 S615A558-L618 HydrophobicContact CB-CD1 4.42Å; A558-L618 HydrophobicContact CB-CD2 4Å; A562-L618 HydrophobicContact CB-CD2 4.44Å; V570-L618 HydrophobicContact CG1-CD2 3.87Å; L571-L618 HydrophobicContact CD2-CB 4.21Å; L571-L618 HydrophobicContact CD2-CD1 3.86Å; L574-L618 HydrophobicContact CD2-CD1 3.95Å; M612-L618 HydrophobicContact CE-CD1 4.19Å; M612-L618 HydrophobicContact CE-CD2 4.34Å; M612-L618 HydrophobicContact CE-CG 3.96Å; M612-L618 HydrophobicContact CG-CD1 4.2Å; S615-L618 PolarHBondContact O-N 3Å
619Q90.9Very high94Very high76 Ų7633.2 Ų33.236%0.35516%0.16SC..  trans-92.7109.7175.4-60-64.5-18.800109.8R613 S615 Q616R613-Q619 WeakPolarHBondContact O-CG 3.41Å; R613-Q619 PolarHBondContact O-NE2 3.06Å; R613-Q619 VanDerWaalsContact O-NE2 3.08Å; S615-Q619 PolarHBondContact O-N 3.37Å; Q616-Q619 WeakPolarHBondContact CA-O 3.45Å
620V90.5Very high94.1Very high25 Ų2534.1 Ų34.115%0.15216%0.164CC..  trans-92.30.6-178.9-61.50000113.5H335 N622 N623 T628H335-V620 HydrophobicContact CB-CG2 4.33Å; V620-N622 PolarHBondContact O-N 3.11Å; V620-N623 PolarHBondContact O-N 2.94Å; V620-N623 VanDerWaalsContact O-N 3.09Å; V620-T628 HydrophobicContact CG1-CG2 3.83Å
621F87Confident94.2Very high164 Ų16435.7 Ų35.772%0.71917%0.17SC*.THydrogen-bonded Turntrans-58137.3175.4-175.3-104.8000110.9N623F621-N623 PolarHBondContact O-N 3.16Å; F621-N623 VanDerWaalsContact O-N 3.12Å
622N88.2Confident94.3Very high136 Ų13637 Ų3773%0.72717%0.174SC*.THydrogen-bonded Turntrans59.97.4-173.2-69.1-23.6000116.5V620V620-N622 PolarHBondContact O-N 3.11Å
623N93.8Very high94.4Very high29 Ų2937.3 Ų37.316%0.15518%0.176CC..  trans-109.4142.9170.8-66.4-54.9000109.6H335 V620 F621 E627H335-N623 PolarHBondContact CD2-O 3.16Å; H335-N623 PolarHBondContact NE2-O 2.94Å; V620-N623 PolarHBondContact O-N 2.94Å; V620-N623 VanDerWaalsContact O-N 3.09Å; F621-N623 PolarHBondContact O-N 3.16Å; F621-N623 VanDerWaalsContact O-N 3.12Å; N623-E627 HydrophobicContact CB-CB 4.22Å
624S96.7Very high94.6Very high24 Ų2434.8 Ų34.817%0.16817%0.167CC..  trans-72.1159.5164.962.70000111.4H335 Q376 D626 E627 T628H335-S624 PolarHBondContact NE2-O 3.37Å; Q376-S624 VanDerWaalsContact CD-CB 3.48Å; S624-D626 PolarHBondContact O-N 3.01Å; S624-E627 WeakPolarHBondContact CB-OE2 3.41Å; S624-E627 PolarHBondContact N-OE2 3.26Å; S624-E627 PolarHBondContact O-N 3.41Å; S624-E627 WeakPolarHBondContact OG-CB 3.45Å; S624-E627 WeakPolarHBondContact OG-CG 3.5Å; S624-E627 PolarHBondContact OG-N 2.92Å; S624-E627 VanDerWaalsContact OG-N 3.09Å; S624-E627 PolarHBondContact OG-OE2 3.05Å; S624-T628 WeakPolarHBondContact O-CB 3.21Å; S624-T628 PolarHBondContact O-N 3.16Å; S624-T628 PolarHBondContact O-OG1 2.84Å
625P97.2Very high94.9Very high2 Ų231.9 Ų31.91%0.01316%0.156CC..Hα-helixtrans-52.6-34.6168.2-30.936000114.1M338 H380 A629M338-P625 HydrophobicContact SD-CB 3.83Å; M338-P625 HydrophobicContact SD-CG 3.6Å; H380-P625 HydrophobicContact CB-CB 3.98Å; P625-A629 WeakPolarHBondContact O-CB 3.13Å; P625-A629 PolarHBondContact O-N 3.26Å
626D98.3Very high95.2Very high4 Ų432.5 Ų32.52%0.02116%0.159CC..Hα-helixtrans-70.9-47.5178.2-78.212.9000112.1R333 Q376 T377 G378 L379 H380 S624 T628 A629 Y630R333-D626 IonicContact CZ-OD1 2.76Å; R333-D626 IonicContact NH1-OD1 3.96Å; R333-D626 IonicContact NH2-OD1 3.83Å; R333-D626 PolarHBondContact NH2-OD1 3.02Å; Q376-D626 HydrophobicContact CB-CB 4.44Å; Q376-D626 WeakPolarHBondContact CB-OD2 3.39Å; Q376-D626 HydrophobicContact CG-CB 4.18Å; T377-D626 PolarHBondContact N-OD2 3.14Å; G378-D626 PolarHBondContact N-OD2 3.35Å; L379-D626 HydrophobicContact CB-CB 3.89Å; L379-D626 PolarHBondContact N-OD1 3Å; L379-D626 VanDerWaalsContact N-OD1 3.1Å; L379-D626 PolarHBondContact N-OD2 2.79Å; H380-D626 WeakPolarHBondContact CB-OD1 3.15Å; H380-D626 PolarHBondContact N-OD1 3Å; S624-D626 PolarHBondContact O-N 3.01Å; D626-T628 VanDerWaalsContact C-N 3.28Å; D626-T628 PolarHBondContact O-N 3.1Å; D626-A629 PolarHBondContact O-N 3.14Å; D626-Y630 PolarHBondContact O-N 3.38Å
627E97.5Very high95.3Very high55 Ų5531.6 Ų31.626%0.25715%0.154SC..Hα-helixtrans-57.6-43173-80.3164.6130.700111.4M395 N623 S624 A629 Y630 Y631M395-E627 HydrophobicContact CE-CB 4.26Å; M395-E627 HydrophobicContact CE-CG 3.37Å; M395-E627 HydrophobicContact SD-CG 3.98Å; N623-E627 HydrophobicContact CB-CB 4.22Å; S624-E627 WeakPolarHBondContact CB-OE2 3.41Å; S624-E627 PolarHBondContact N-OE2 3.26Å; S624-E627 PolarHBondContact O-N 3.41Å; S624-E627 WeakPolarHBondContact OG-CB 3.45Å; S624-E627 WeakPolarHBondContact OG-CG 3.5Å; S624-E627 PolarHBondContact OG-N 2.92Å; S624-E627 VanDerWaalsContact OG-N 3.09Å; S624-E627 PolarHBondContact OG-OE2 3.05Å; E627-A629 VanDerWaalsContact C-N 3.34Å; E627-A629 PolarHBondContact O-N 3.21Å; E627-Y630 PolarHBondContact O-N 3.22Å; E627-Y631 HydrophobicContact CB-CD2 4.35Å; E627-Y631 HydrophobicContact CB-CE2 3.92Å; E627-Y631 WeakPolarHBondContact O-CD2 3.41Å; E627-Y631 PolarHBondContact O-N 2.62Å
628T97Very high95.4Very high6 Ų631.9 Ų31.94%0.03716%0.156CC..Hα-helixtrans-61.3-44.2177.7-55.60000111H335 V620 S624 D626 R632H335-T628 PolarHBondContact CE1-OG1 3Å; H335-T628 PolarHBondContact NE2-OG1 3.48Å; V620-T628 HydrophobicContact CG1-CG2 3.83Å; S624-T628 WeakPolarHBondContact O-CB 3.21Å; S624-T628 PolarHBondContact O-N 3.16Å; S624-T628 PolarHBondContact O-OG1 2.84Å; D626-T628 VanDerWaalsContact C-N 3.28Å; D626-T628 PolarHBondContact O-N 3.1Å; T628-R632 WeakPolarHBondContact O-CB 3.34Å; T628-R632 WeakPolarHBondContact O-CG 3.44Å; T628-R632 PolarHBondContact O-N 3.15Å; T628-R632 VanDerWaalsContact O-N 3.11Å
629A97.5Very high95.5Very high7 Ų733 Ų336%0.05816%0.162CC..Hα-helixtrans-63.7-41.4176.600000111.9R383 P625 D626 E627 H633R383-A629 HydrophobicContact CB-CB 4.38Å; P625-A629 WeakPolarHBondContact O-CB 3.13Å; P625-A629 PolarHBondContact O-N 3.26Å; D626-A629 PolarHBondContact O-N 3.14Å; E627-A629 VanDerWaalsContact C-N 3.34Å; E627-A629 PolarHBondContact O-N 3.21Å; A629-H633 WeakPolarHBondContact O-CB 3.31Å; A629-H633 PolarHBondContact O-N 2.81Å
630Y98Very high95.8Very high21 Ų2129.5 Ų29.58%0.08215%0.146CC..Hα-helixtrans-61.4-54.5176.6168.5-108.3000112.4M393 M395 D626 E627 R632 H633 V634 F682 P729M393-Y630 HydrophobicContact CG-CD2 4.39Å; M393-Y630 WeakPolarHBondContact O-CD2 3.47Å; M393-Y630 VanDerWaalsContact O-CE2 3.23Å; M393-Y630 WeakPolarHBondContact O-CE2 3.21Å; M393-Y630 VanDerWaalsContact SD-CA 3.56Å; M395-Y630 HydrophobicContact CB-CD2 4.11Å; M395-Y630 HydrophobicContact CB-CE2 4.48Å; M395-Y630 HydrophobicContact CB-CG 4.12Å; M395-Y630 HydrophobicContact CE-CD1 4.03Å; M395-Y630 HydrophobicContact CE-CG 4.44Å; D626-Y630 PolarHBondContact O-N 3.38Å; E627-Y630 PolarHBondContact O-N 3.22Å; Y630-R632 VanDerWaalsContact C-N 3.33Å; Y630-R632 PolarHBondContact O-N 3.09Å; Y630-H633 WeakPolarHBondContact O-CB 3.37Å; Y630-H633 PolarHBondContact O-N 3.03Å; Y630-H633 VanDerWaalsContact O-N 3.17Å; Y630-V634 HydrophobicContact CD2-CG2 4.23Å; Y630-V634 HydrophobicContact CE2-CG2 3.83Å; Y630-V634 WeakPolarHBondContact O-CG2 3.26Å; Y630-V634 PolarHBondContact O-N 3.45Å; Y630-V634 VanDerWaalsContact O-N 3.08Å; Y630-F682 HydrophobicContact CE1-CD1 4.17Å; Y630-F682 HydrophobicContact CE1-CE1 4.01Å; Y630-P729 HydrophobicContact CE2-CG 4.29Å; Y630-P729 WeakPolarHBondContact OH-CG 3.38Å
631Y97.5Very high96.1Very high35 Ų3531 Ų3114%0.13716%0.157CC..Hα-helixtrans-59.4-45.2-179.9-64.5-47.8000111.5Q616 F617 E627 H633 V634 L635 F682Q616-Y631 HydrophobicContact CB-CD2 4.33Å; Q616-Y631 VanDerWaalsContact CD-CD2 3.46Å; Q616-Y631 HydrophobicContact CG-CD2 3.81Å; Q616-Y631 HydrophobicContact CG-CE2 4.3Å; Q616-Y631 HydrophobicContact CG-CG 4.04Å; Q616-Y631 VanDerWaalsContact NE2-CD1 3.32Å; Q616-Y631 VanDerWaalsContact OE1-CE2 3.27Å; F617-Y631 WeakPolarHBondContact CE1-O 3.35Å; E627-Y631 HydrophobicContact CB-CD2 4.35Å; E627-Y631 HydrophobicContact CB-CE2 3.92Å; E627-Y631 WeakPolarHBondContact O-CD2 3.41Å; E627-Y631 PolarHBondContact O-N 2.62Å; Y631-H633 VanDerWaalsContact C-N 3.34Å; Y631-H633 PolarHBondContact O-N 3.35Å; Y631-V634 PolarHBondContact O-N 3.15Å; Y631-L635 PolarHBondContact O-N 2.88Å; Y631-F682 AromaticContact CD1-CD1 3.98Å; Y631-F682 HydrophobicContact CD1-CD1 3.98Å; Y631-F682 HydrophobicContact CD1-CD2 4.12Å; Y631-F682 AromaticContact CD1-CE1 3.7Å; Y631-F682 HydrophobicContact CD1-CE1 3.7Å; Y631-F682 AromaticContact CD1-CE2 3.84Å; Y631-F682 HydrophobicContact CD1-CE2 3.84Å; Y631-F682 HydrophobicContact CD1-CG 4.18Å; Y631-F682 AromaticContact CD1-CZ 3.64Å; Y631-F682 HydrophobicContact CD1-CZ 3.64Å; Y631-F682 AromaticContact CE1-CD1 3.97Å; Y631-F682 HydrophobicContact CE1-CD1 3.97Å; Y631-F682 HydrophobicContact CE1-CD2 4.27Å; Y631-F682 HydrophobicContact CE1-CE1 4.17Å; Y631-F682 HydrophobicContact CE1-CE2 4.45Å; Y631-F682 HydrophobicContact CE1-CG 4.03Å; Y631-F682 HydrophobicContact CE1-CZ 4.41Å
632R97.3Very high96.5Very high36 Ų3624.6 Ų24.614%0.13613%0.131CC..Hα-helixtrans-62.6-39.1177.9-70.1-178.2173.9-178.93.5112.4M559 A562 F617 T628 Y630 V634 N636M559-R632 HydrophobicContact CG-CG 4.29Å; M559-R632 HydrophobicContact SD-CB 3.92Å; M559-R632 HydrophobicContact SD-CG 3.67Å; A562-R632 PolarHBondContact O-NH1 3.22Å; F617-R632 PolarHBondContact O-NE 2.9Å; F617-R632 VanDerWaalsContact O-NE 3.15Å; F617-R632 PolarHBondContact O-NH2 2.79Å; T628-R632 WeakPolarHBondContact O-CB 3.34Å; T628-R632 WeakPolarHBondContact O-CG 3.44Å; T628-R632 PolarHBondContact O-N 3.15Å; T628-R632 VanDerWaalsContact O-N 3.11Å; Y630-R632 VanDerWaalsContact C-N 3.33Å; Y630-R632 PolarHBondContact O-N 3.09Å; R632-V634 VanDerWaalsContact C-N 3.35Å; R632-N636 WeakPolarHBondContact O-CB 3.37Å; R632-N636 PolarHBondContact O-N 2.81Å; R632-N636 VanDerWaalsContact O-N 3.09Å; R632-N636 PolarHBondContact O-ND2 2.85Å; R632-N636 VanDerWaalsContact O-ND2 3.17Å
633H97.7Very high97Very high6 Ų618.1 Ų18.13%0.02810%0.096CC..Hα-helixtrans-59.7-46.2175.3174.479.4000111.4N387 G391 M393 A629 Y630 Y631 N636 K637N387-H633 PolarHBondContact OD1-ND1 2.92Å; G391-H633 PolarHBondContact O-CE1 3.12Å; G391-H633 PolarHBondContact O-NE2 2.68Å; M393-H633 HydrophobicContact CE-CB 3.99Å; M393-H633 HydrophobicContact SD-CB 4.2Å; A629-H633 WeakPolarHBondContact O-CB 3.31Å; A629-H633 PolarHBondContact O-N 2.81Å; Y630-H633 WeakPolarHBondContact O-CB 3.37Å; Y630-H633 PolarHBondContact O-N 3.03Å; Y630-H633 VanDerWaalsContact O-N 3.17Å; Y631-H633 VanDerWaalsContact C-N 3.34Å; Y631-H633 PolarHBondContact O-N 3.35Å; H633-N636 PolarHBondContact O-N 2.61Å; H633-K637 PolarHBondContact O-N 3.37Å
634V97.8Very high97.1Very high7 Ų717.6 Ų17.64%0.0429%0.093CC..Hα-helixtrans-65.5-47-178.9177.20000111.6Y630 Y631 R632 N636 K637 E638 M646 F681 F682Y630-V634 HydrophobicContact CD2-CG2 4.23Å; Y630-V634 HydrophobicContact CE2-CG2 3.83Å; Y630-V634 WeakPolarHBondContact O-CG2 3.26Å; Y630-V634 PolarHBondContact O-N 3.45Å; Y630-V634 VanDerWaalsContact O-N 3.08Å; Y631-V634 PolarHBondContact O-N 3.15Å; R632-V634 VanDerWaalsContact C-N 3.35Å; V634-N636 VanDerWaalsContact C-N 3.26Å; V634-N636 PolarHBondContact O-N 2.6Å; V634-K637 PolarHBondContact O-N 2.8Å; V634-E638 HydrophobicContact CG1-CG 3.99Å; V634-E638 PolarHBondContact O-N 2.94Å; V634-M646 HydrophobicContact CG1-CE 3.65Å; V634-M646 HydrophobicContact CG1-SD 4.25Å; V634-F681 HydrophobicContact CG1-CD1 4.37Å; V634-F681 HydrophobicContact CG1-CE1 3.54Å; V634-F681 HydrophobicContact CG1-CZ 3.96Å; V634-F682 HydrophobicContact CB-CE1 3.98Å; V634-F682 HydrophobicContact CB-CZ 3.9Å; V634-F682 HydrophobicContact CG1-CE1 3.79Å; V634-F682 HydrophobicContact CG1-CZ 3.77Å; V634-F682 HydrophobicContact CG2-CE1 4.13Å
635L97.7Very high97.1Very high0 Ų018 Ų180%09%0.093CC..Hα-helixtrans-63-31.8177.8-177.963.6000112.8A555 R556 M559 F617 Y631 K637 S643 M646A555-L635 HydrophobicContact CB-CD2 4.36Å; R556-L635 PolarHBondContact NE-O 2.9Å; R556-L635 VanDerWaalsContact NE-O 3.12Å; R556-L635 PolarHBondContact NH2-O 3.16Å; R556-L635 VanDerWaalsContact NH2-O 3.16Å; M559-L635 HydrophobicContact CE-CB 3.81Å; M559-L635 HydrophobicContact CE-CD2 3.33Å; M559-L635 HydrophobicContact CE-CG 3.53Å; M559-L635 HydrophobicContact SD-CB 4.15Å; M559-L635 HydrophobicContact SD-CD2 3.53Å; M559-L635 VanDerWaalsContact SD-CD2 3.53Å; M559-L635 HydrophobicContact SD-CG 4.18Å; F617-L635 HydrophobicContact CB-CD2 4.47Å; F617-L635 HydrophobicContact CD1-CB 4.21Å; F617-L635 HydrophobicContact CD1-CD2 3.77Å; F617-L635 HydrophobicContact CD2-CD2 3.59Å; F617-L635 HydrophobicContact CE1-CB 3.61Å; F617-L635 HydrophobicContact CE1-CD2 3.77Å; F617-L635 HydrophobicContact CE1-CG 4.23Å; F617-L635 HydrophobicContact CE2-CD1 4.48Å; F617-L635 HydrophobicContact CE2-CD2 3.62Å; F617-L635 HydrophobicContact CE2-CG 4.45Å; F617-L635 HydrophobicContact CG-CD2 3.67Å; F617-L635 HydrophobicContact CZ-CB 3.83Å; F617-L635 HydrophobicContact CZ-CD1 4.3Å; F617-L635 HydrophobicContact CZ-CD2 3.69Å; F617-L635 HydrophobicContact CZ-CG 4.14Å; Y631-L635 PolarHBondContact O-N 2.88Å; L635-K637 PolarHBondContact O-N 3.03Å; L635-S643 VanDerWaalsContact CD1-CB 3.45Å; L635-M646 HydrophobicContact CB-SD 3.99Å; L635-M646 HydrophobicContact CD1-SD 3.83Å
636N97.4Very high97.1Very high18 Ų1818.3 Ų18.310%0.0969%0.094CC..THydrogen-bonded Turntrans-73-13.7175.3-81.2-32.1000113.8G443 P444 R556 M559 R632 H633 V634G443-N636 WeakPolarHBondContact CA-O 3.49Å; P444-N636 WeakPolarHBondContact CD-O 3.46Å; R556-N636 VanDerWaalsContact CZ-O 3.3Å; R556-N636 PolarHBondContact NH1-O 2.69Å; R556-N636 VanDerWaalsContact NH1-O 3.12Å; R556-N636 PolarHBondContact NH2-O 3.15Å; M559-N636 VanDerWaalsContact CE-OD1 3.23Å; M559-N636 WeakPolarHBondContact CE-OD1 3.21Å; R632-N636 WeakPolarHBondContact O-CB 3.37Å; R632-N636 PolarHBondContact O-N 2.81Å; R632-N636 VanDerWaalsContact O-N 3.09Å; R632-N636 PolarHBondContact O-ND2 2.85Å; R632-N636 VanDerWaalsContact O-ND2 3.17Å; H633-N636 PolarHBondContact O-N 2.61Å; V634-N636 VanDerWaalsContact C-N 3.26Å; V634-N636 PolarHBondContact O-N 2.6Å
637K96.2Very high97Very high9 Ų918.4 Ų18.44%0.03910%0.095CC..THydrogen-bonded Turntrans-106.6-37.6-176-179.1169.6-179.3164.30113.3G390 P444 S476 T477 T478 H633 V634 L635G390-K637 PolarHBondContact O-NZ 3.29Å; P444-K637 HydrophobicContact CG-CB 4.21Å; P444-K637 HydrophobicContact CG-CG 4.16Å; S476-K637 VanDerWaalsContact O-O 3.04Å; T477-K637 WeakPolarHBondContact CA-O 3.29Å; T477-K637 HydrophobicContact CG2-CG 4.37Å; T477-K637 WeakPolarHBondContact OG1-CE 3.39Å; T478-K637 PolarHBondContact N-O 3.48Å; H633-K637 PolarHBondContact O-N 3.37Å; V634-K637 PolarHBondContact O-N 2.8Å; L635-K637 PolarHBondContact O-N 3.03Å
638E96.7Very high96.9Very high6 Ų617.6 Ų17.63%0.0289%0.091CC..SBendtrans-75.9162.2-171.4-75.9-61.2127.900114.6S476 R556 V634 N642 S643 M646 F681S476-E638 PolarHBondContact OG-OE1 2.93Å; R556-E638 PolarHBondContact NH2-O 3.13Å; V634-E638 HydrophobicContact CG1-CG 3.99Å; V634-E638 PolarHBondContact O-N 2.94Å; E638-N642 HydrophobicContact CB-CB 3.94Å; E638-N642 HydrophobicContact CG-CB 4.38Å; E638-N642 PolarHBondContact OE2-ND2 3.39Å; E638-S643 PolarHBondContact O-OG 3.28Å; E638-M646 HydrophobicContact CB-CE 3.68Å; E638-M646 HydrophobicContact CG-CE 3.63Å; E638-F681 HydrophobicContact CG-CE2 3.95Å; E638-F681 HydrophobicContact CG-CZ 3.75Å
639D95.7Very high96.8Very high28 Ų2817.7 Ų17.715%0.159%0.092CC..  trans-72.2-178.8-178.768.918.6000113.7T478 S641 N642 S643T478-D639 WeakPolarHBondContact OG1-CA 3.48Å; D639-S641 PolarHBondContact OD1-N 3.08Å; D639-N642 VanDerWaalsContact OD1-CB 3.26Å; D639-N642 WeakPolarHBondContact OD1-CB 3.43Å; D639-N642 PolarHBondContact OD1-N 3.07Å; D639-S643 WeakPolarHBondContact O-CB 3.43Å; D639-S643 PolarHBondContact O-N 2.93Å; D639-S643 PolarHBondContact O-OG 3.18Å
640C96.7Very high96.7Very high2 Ų219.6 Ų19.61%0.01410%0.104CC..Hα-helixtrans-59.8-51.2-176.4-168.30000111.9R18 L41 S643 L644R18-C640 HydrophobicContact CG-CB 4.48Å; L41-C640 HydrophobicContact CD1-CB 3.55Å; C640-S643 PolarHBondContact O-N 2.95Å; C640-L644 WeakPolarHBondContact O-CG 3.19Å; C640-L644 PolarHBondContact O-N 2.88Å
641S95.3Very high96.7Very high56 Ų5618.8 Ų18.839%0.39210%0.102SC..Hα-helixtrans-63.9-47-176.9-580000111.9D639 S643 L644 L645D639-S641 PolarHBondContact OD1-N 3.08Å; S641-S643 PolarHBondContact O-N 2.84Å; S641-L644 PolarHBondContact O-N 2.52Å; S641-L645 WeakPolarHBondContact O-CG 3.44Å; S641-L645 PolarHBondContact O-N 3.18Å; S641-L645 VanDerWaalsContact O-N 3.09Å
642N96.7Very high96.7Very high30 Ų3018.6 Ų18.616%0.1610%0.104CC..Hα-helixtrans-65.8-40.9178.6-71.7-12.8000111.6E638 D639 L644 L645 M646 F681 R727E638-N642 HydrophobicContact CB-CB 3.94Å; E638-N642 HydrophobicContact CG-CB 4.38Å; E638-N642 PolarHBondContact OE2-ND2 3.39Å; D639-N642 VanDerWaalsContact OD1-CB 3.26Å; D639-N642 WeakPolarHBondContact OD1-CB 3.43Å; D639-N642 PolarHBondContact OD1-N 3.07Å; N642-L644 VanDerWaalsContact C-N 3.29Å; N642-L644 PolarHBondContact O-N 3.32Å; N642-L645 PolarHBondContact O-N 2.68Å; N642-M646 HydrophobicContact CB-CE 4.39Å; N642-M646 WeakPolarHBondContact O-CG 3.48Å; N642-M646 PolarHBondContact O-N 3.2Å; N642-F681 HydrophobicContact CB-CD2 3.72Å; N642-F681 HydrophobicContact CB-CE2 3.73Å; N642-R727 PolarHBondContact OD1-NH1 3.24Å
643S98Very high96.7Very high0 Ų016.9 Ų16.90%010%0.098CC..Hα-helixtrans-60.2-39.9175.4-64.90000112.1L635 E638 D639 C640 S641 M646 I647L635-S643 VanDerWaalsContact CD1-CB 3.45Å; E638-S643 PolarHBondContact O-OG 3.28Å; D639-S643 WeakPolarHBondContact O-CB 3.43Å; D639-S643 PolarHBondContact O-N 2.93Å; D639-S643 PolarHBondContact O-OG 3.18Å; C640-S643 PolarHBondContact O-N 2.95Å; S641-S643 PolarHBondContact O-N 2.84Å; S643-M646 PolarHBondContact O-N 2.81Å; S643-I647 WeakPolarHBondContact O-CG1 3.25Å; S643-I647 PolarHBondContact O-N 3.23Å
644L97.2Very high96.6Very high17 Ų1716.9 Ų16.99%0.08910%0.098CC..Hα-helixtrans-66-42.5176.5-78.3177.6000112.7E548 T551 V552 F608 C640 S641 N642 M646 I647 Q648E548-L644 HydrophobicContact CB-CD1 3.53Å; E548-L644 HydrophobicContact CG-CD1 3.54Å; T551-L644 HydrophobicContact CG2-CD2 3.69Å; V552-L644 HydrophobicContact CG2-CD2 4.13Å; V552-L644 HydrophobicContact CG2-CG 4.02Å; F608-L644 HydrophobicContact CD1-CD2 4.12Å; F608-L644 HydrophobicContact CE1-CD2 4.06Å; F608-L644 HydrophobicContact CG-CD2 4.45Å; F608-L644 HydrophobicContact CZ-CD2 4.31Å; C640-L644 WeakPolarHBondContact O-CG 3.19Å; C640-L644 PolarHBondContact O-N 2.88Å; S641-L644 PolarHBondContact O-N 2.52Å; N642-L644 VanDerWaalsContact C-N 3.29Å; N642-L644 PolarHBondContact O-N 3.32Å; L644-M646 PolarHBondContact O-N 3.17Å; L644-I647 CarbonylContact O-C 3.55Å; L644-I647 PolarHBondContact O-N 3.11Å; L644-Q648 CarbonylContact O-C 3.55Å; L644-Q648 PolarHBondContact O-N 3.37Å
645L96.1Very high96.3Very high32 Ų3217.5 Ų17.517%0.16810%0.101CC..Hα-helixtrans-60-31.9176.3-69.9172.1000112.5S641 N642 Q648 P649 F681S641-L645 WeakPolarHBondContact O-CG 3.44Å; S641-L645 PolarHBondContact O-N 3.18Å; S641-L645 VanDerWaalsContact O-N 3.09Å; N642-L645 PolarHBondContact O-N 2.68Å; L645-Q648 CarbonylContact O-C 3.6Å; L645-P649 WeakPolarHBondContact O-CA 3.29Å; L645-F681 HydrophobicContact CB-CB 4.36Å
646M97.3Very high95.9Very high9 Ų919.8 Ų19.84%0.04411%0.113CC..Hα-helixtrans-71.4-31.7174.2-59.2171.1-154.400113.1F617 V634 L635 E638 N642 S643 L644 F681 F682F617-M646 HydrophobicContact CE2-CB 3.77Å; F617-M646 HydrophobicContact CZ-CB 3.62Å; F617-M646 HydrophobicContact CZ-CG 4.31Å; F617-M646 HydrophobicContact CZ-SD 4Å; V634-M646 HydrophobicContact CG1-CE 3.65Å; V634-M646 HydrophobicContact CG1-SD 4.25Å; L635-M646 HydrophobicContact CB-SD 3.99Å; L635-M646 HydrophobicContact CD1-SD 3.83Å; E638-M646 HydrophobicContact CB-CE 3.68Å; E638-M646 HydrophobicContact CG-CE 3.63Å; N642-M646 HydrophobicContact CB-CE 4.39Å; N642-M646 WeakPolarHBondContact O-CG 3.48Å; N642-M646 PolarHBondContact O-N 3.2Å; S643-M646 PolarHBondContact O-N 2.81Å; L644-M646 PolarHBondContact O-N 3.17Å; M646-F681 HydrophobicContact CE-CB 4.37Å; M646-F681 HydrophobicContact CE-CD1 3.58Å; M646-F681 HydrophobicContact CE-CD2 3.71Å; M646-F681 HydrophobicContact CE-CE1 3.67Å; M646-F681 HydrophobicContact CE-CE2 3.77Å; M646-F681 HydrophobicContact CE-CG 3.61Å; M646-F681 HydrophobicContact CE-CZ 3.75Å; M646-F681 HydrophobicContact CG-CB 3.63Å; M646-F681 HydrophobicContact CG-CD1 4.08Å; M646-F681 HydrophobicContact CG-CG 3.88Å; M646-F681 HydrophobicContact SD-CD1 4.39Å; M646-F682 HydrophobicContact CB-CE2 4.08Å; M646-F682 HydrophobicContact CG-CD2 4.19Å; M646-F682 HydrophobicContact CG-CE2 3.58Å; M646-F682 HydrophobicContact CG-CZ 4.2Å; M646-F682 HydrophobicContact SD-CE2 3.77Å; M646-F682 HydrophobicContact SD-CZ 3.83Å
647I96.5Very high95.5Very high6 Ų624.5 Ų24.53%0.03114%0.138CC..Hα-helixtrans-80.5-54.4179.9-67.1170000109.6T551 A555 H611 M612 F617 S643 L644T551-I647 HydrophobicContact CG2-CD1 3.84Å; A555-I647 HydrophobicContact CB-CD1 3.71Å; H611-I647 HydrophobicContact CB-CG2 4.28Å; H611-I647 WeakPolarHBondContact CB-O 3.45Å; M612-I647 HydrophobicContact CB-CG2 3.95Å; M612-I647 HydrophobicContact SD-CD1 3.92Å; M612-I647 HydrophobicContact SD-CG1 3.8Å; M612-I647 HydrophobicContact SD-CG2 4.32Å; F617-I647 HydrophobicContact CE2-CG1 4.32Å; S643-I647 WeakPolarHBondContact O-CG1 3.25Å; S643-I647 PolarHBondContact O-N 3.23Å; L644-I647 CarbonylContact O-C 3.55Å; L644-I647 PolarHBondContact O-N 3.11Å
648Q94.7Very high95.1Very high38 Ų3825.6 Ų25.618%0.17815%0.152CC..SBendtrans-125.498.7178.2179.6177.8-18.400108.8F608 H611 L644 L645F608-Q648 HydrophobicContact CD1-CB 4.27Å; F608-Q648 VanDerWaalsContact CE1-OE1 3.22Å; H611-Q648 HydrophobicContact CB-CB 4.16Å; H611-Q648 PolarHBondContact CD2-OE1 3.47Å; L644-Q648 CarbonylContact O-C 3.55Å; L644-Q648 PolarHBondContact O-N 3.37Å; L645-Q648 CarbonylContact O-C 3.6Å
649P95.9Very high94.8Very high8 Ų827.7 Ų27.75%0.05217%0.167CC..  trans-53.6147173.8-28.534.7000112.9L645 L665 M678 D679L645-P649 WeakPolarHBondContact O-CA 3.29Å; P649-L665 HydrophobicContact CB-CD1 4.18Å; P649-L665 HydrophobicContact CB-CD2 4.01Å; P649-L665 HydrophobicContact CG-CD2 4.06Å; P649-M678 HydrophobicContact CB-CG 4.08Å; P649-M678 HydrophobicContact CB-SD 4.33Å; P649-D679 CarbonylContact C-O 3.47Å; P649-D679 VanDerWaalsContact CA-O 3.25Å; P649-D679 WeakPolarHBondContact CA-O 3.29Å; P649-D679 WeakPolarHBondContact CB-O 3.45Å
650S95.5Very high94.7Very high47 Ų4730.4 Ų30.433%0.32918%0.179SC..EExtended strand (participates in β ladder)trans-86.3146.1169.461.50000110.5M678 D679S650-M678 VanDerWaalsContact O-CA 3.31Å; S650-M678 WeakPolarHBondContact O-CA 3.43Å; S650-D679 PolarHBondContact N-O 3.35Å; S650-D679 PolarHBondContact O-N 3.34Å
651L97.1Very high94.6Very high5 Ų534.1 Ų34.13%0.02620%0.196CC..EExtended strand (participates in β ladder)trans-129120.3175.6-166.864.9000108.7V663 L664 L665 L676 L677 M678 L746L651-V663 HydrophobicContact CB-CG2 3.97Å; L651-V663 HydrophobicContact CD2-CG2 3.79Å; L651-V663 HydrophobicContact CG-CG2 3.65Å; L651-V663 WeakPolarHBondContact O-CG2 3.46Å; L651-V663 PolarHBondContact O-N 3.36Å; L651-L664 WeakPolarHBondContact CD2-O 3.36Å; L651-L665 HydrophobicContact CB-CD1 4.27Å; L651-L676 HydrophobicContact CD1-CB 3.91Å; L651-L676 HydrophobicContact CD1-CD1 4.34Å; L651-L676 HydrophobicContact CD2-CD1 4.23Å; L651-L676 HydrophobicContact CG-CD2 4.49Å; L651-L677 WeakPolarHBondContact CA-O 3.38Å; L651-M678 HydrophobicContact CD1-CB 3.82Å; L651-M678 HydrophobicContact CD1-CG 4.37Å; L651-L746 HydrophobicContact CD1-CD1 3.92Å
652T97.1Very high94.6Very high30 Ų3037.1 Ų37.118%0.18421%0.214CC..EExtended strand (participates in β ladder)trans-111.6132.7176.5-55.50000108.9F654 E660 L676 L677T652-F654 HydrophobicContact CG2-CD2 4.44Å; T652-F654 HydrophobicContact CG2-CE2 3.77Å; T652-F654 HydrophobicContact CG2-CZ 4.05Å; T652-E660 HydrophobicContact CG2-CB 4.4Å; T652-L676 CarbonylContact O-C 3.46Å; T652-L676 VanDerWaalsContact O-CA 3.31Å; T652-L676 WeakPolarHBondContact O-CA 3.46Å; T652-L677 PolarHBondContact N-O 2.98Å; T652-L677 PolarHBondContact O-N 3.1Å
653S96.8Very high94.5Very high0 Ų037 Ų370%022%0.215CC..EExtended strand (participates in β ladder)trans-100.7133.1177.9-179.80000110.6N655 E660 E661 V663 R674S653-N655 PolarHBondContact OG-OD1 2.8Å; S653-E660 CarbonylContact O-C 3.58Å; S653-E660 WeakPolarHBondContact O-CA 3.42Å; S653-E661 PolarHBondContact N-O 2.87Å; S653-E661 PolarHBondContact O-N 3.25Å; S653-V663 VanDerWaalsContact CB-CG1 3.47Å; S653-R674 WeakPolarHBondContact OG-CD 3.32Å; S653-R674 PolarHBondContact OG-NH1 3.08Å
654F95.5Very high94.2Very high7 Ų742.5 Ų42.53%0.03124%0.243CC..EExtended strand (participates in β ladder)trans-112116.8174-64-100.1000108.2T652 E660 V675 L677 K715 P716T652-F654 HydrophobicContact CG2-CD2 4.44Å; T652-F654 HydrophobicContact CG2-CE2 3.77Å; T652-F654 HydrophobicContact CG2-CZ 4.05Å; F654-E660 HydrophobicContact CD1-CB 4.08Å; F654-E660 HydrophobicContact CE1-CB 4.15Å; F654-E660 WeakPolarHBondContact CE1-OE2 3.37Å; F654-V675 HydrophobicContact CB-CB 4.31Å; F654-V675 PolarHBondContact N-O 2.91Å; F654-V675 PolarHBondContact O-N 2.63Å; F654-V675 VanDerWaalsContact O-N 3.08Å; F654-L677 HydrophobicContact CD2-CB 4.49Å; F654-L677 HydrophobicContact CE2-CB 3.68Å; F654-L677 HydrophobicContact CE2-CD2 4.34Å; F654-L677 HydrophobicContact CZ-CD2 4.4Å; F654-K715 HydrophobicContact CD1-CB 4.21Å; F654-K715 HydrophobicContact CD1-CD 4.1Å; F654-K715 HydrophobicContact CD1-CG 4.31Å; F654-K715 HydrophobicContact CE1-CB 4.15Å; F654-K715 HydrophobicContact CE1-CD 3.89Å; F654-K715 HydrophobicContact CE1-CG 3.88Å; F654-P716 HydrophobicContact CD2-CB 3.93Å; F654-P716 HydrophobicContact CD2-CG 4.35Å; F654-P716 HydrophobicContact CE1-CB 4.34Å; F654-P716 HydrophobicContact CE2-CB 3.76Å; F654-P716 HydrophobicContact CG-CB 4.33Å; F654-P716 HydrophobicContact CG-CG 4.34Å; F654-P716 HydrophobicContact CZ-CB 3.97Å
655N93Very high93.9Very high20 Ų2042 Ų4211%0.10724%0.241CC..  trans-97.6155.7-174.1-59.4-41.7000110.7S653 D657 G658 S659 R674 I712S653-N655 PolarHBondContact OG-OD1 2.8Å; N655-D657 VanDerWaalsContact CB-OD1 3.23Å; N655-D657 WeakPolarHBondContact CB-OD1 3.37Å; N655-D657 PolarHBondContact O-N 2.96Å; N655-D657 VanDerWaalsContact O-N 3.15Å; N655-G658 PolarHBondContact O-N 3.24Å; N655-S659 WeakPolarHBondContact CB-OG 3.27Å; N655-S659 PolarHBondContact N-O 3.4Å; N655-S659 PolarHBondContact ND2-OG 2.89Å; N655-R674 WeakPolarHBondContact OD1-CD 3.01Å; N655-I712 WeakPolarHBondContact O-CG2 3.46Å
656L88.9Confident93.7Very high48 Ų4841.2 Ų41.225%0.25124%0.237SC..THydrogen-bonded Turntrans-64.4-16.8-178.6-73.4173.6000114.8D673 I692 W695 I709 I712L656-D673 HydrophobicContact CD1-CB 4.38Å; L656-I692 HydrophobicContact CD1-CD1 4.23Å; L656-I692 HydrophobicContact CD2-CD1 3.59Å; L656-I692 HydrophobicContact CG-CD1 4.09Å; L656-W695 HydrophobicContact CD1-CH2 3.66Å; L656-W695 HydrophobicContact CD1-CZ3 3.58Å; L656-W695 HydrophobicContact CD2-CZ3 3.89Å; L656-W695 HydrophobicContact CG-CZ3 4.41Å; L656-I709 HydrophobicContact CD2-CG2 3.78Å; L656-I712 VanDerWaalsContact O-CD1 3.3Å; L656-I712 WeakPolarHBondContact O-CD1 3.39Å
657D89Confident93.4Very high117 Ų11740.8 Ų40.863%0.62624%0.235SC*.THydrogen-bonded Turntrans-81.6-2.8173.568-5.9000113.2N655 S659N655-D657 VanDerWaalsContact CB-OD1 3.23Å; N655-D657 WeakPolarHBondContact CB-OD1 3.37Å; N655-D657 PolarHBondContact O-N 2.96Å; N655-D657 VanDerWaalsContact O-N 3.15Å; D657-S659 VanDerWaalsContact OD1-CB 3.27Å; D657-S659 WeakPolarHBondContact OD1-CB 3.43Å; D657-S659 PolarHBondContact OD1-N 3.28Å; D657-S659 PolarHBondContact OD1-OG 3.48Å; D657-S659 PolarHBondContact OD2-OG 3.43Å
658G87Confident93.1Very high32 Ų3243 Ų4333%0.3325%0.25SS..SBendtrans87.50.2-178.800000114.3N655N655-G658 PolarHBondContact O-N 3.24Å
659S91.9Very high93Very high50 Ų5041.9 Ų41.935%0.3525%0.247SC..  trans-74.5149.317267.80000111.4N655 D657N655-S659 WeakPolarHBondContact CB-OG 3.27Å; N655-S659 PolarHBondContact N-O 3.4Å; N655-S659 PolarHBondContact ND2-OG 2.89Å; D657-S659 VanDerWaalsContact OD1-CB 3.27Å; D657-S659 WeakPolarHBondContact OD1-CB 3.43Å; D657-S659 PolarHBondContact OD1-N 3.28Å; D657-S659 PolarHBondContact OD1-OG 3.48Å; D657-S659 PolarHBondContact OD2-OG 3.43Å
660E92.9Very high92.9Very high84 Ų8441.7 Ų41.739%0.39325%0.246SC..EExtended strand (participates in β ladder)trans-128.7141.8170.376.9-158.3154.900110.6T652 S653 F654 K715T652-E660 HydrophobicContact CG2-CB 4.4Å; S653-E660 CarbonylContact O-C 3.58Å; S653-E660 WeakPolarHBondContact O-CA 3.42Å; F654-E660 HydrophobicContact CD1-CB 4.08Å; F654-E660 HydrophobicContact CE1-CB 4.15Å; F654-E660 WeakPolarHBondContact CE1-OE2 3.37Å; E660-K715 IonicContact OE1-NZ 3.58Å; E660-K715 PolarHBondContact OE1-NZ 3.1Å; E660-K715 WeakPolarHBondContact OE2-CE 3.49Å; E660-K715 IonicContact OE2-NZ 2.8Å; E660-K715 PolarHBondContact OE2-NZ 2.97Å
661E95Very high92.8Very high80 Ų8041.1 Ų41.137%0.37424%0.238SC..EExtended strand (participates in β ladder)trans-144.6139.2-178.259.2-178.6-179.400110.9S653 V663 R674S653-E661 PolarHBondContact N-O 2.87Å; S653-E661 PolarHBondContact O-N 3.25Å; E661-V663 HydrophobicContact CG-CG1 3.96Å; E661-V663 PolarHBondContact O-N 3.44Å; E661-R674 IonicContact OE1-CZ 3.91Å; E661-R674 IonicContact OE1-NH1 3.39Å; E661-R674 PolarHBondContact OE1-NH1 2.96Å; E661-R674 IonicContact OE1-NH2 3.68Å
662P95.5Very high92.7Very high119 Ų11942.7 Ų42.777%0.77325%0.248SC*.EExtended strand (participates in β ladder)trans-65.2128166.328.4-32.4000108.8
663V94.9Very high92.5Very high29 Ų2944.5 Ų44.518%0.17626%0.256CS..EExtended strand (participates in β ladder)trans-114.7163.1178.9-66.30000110.6L651 S653 E661 L676L651-V663 HydrophobicContact CB-CG2 3.97Å; L651-V663 HydrophobicContact CD2-CG2 3.79Å; L651-V663 HydrophobicContact CG-CG2 3.65Å; L651-V663 WeakPolarHBondContact O-CG2 3.46Å; L651-V663 PolarHBondContact O-N 3.36Å; S653-V663 VanDerWaalsContact CB-CG1 3.47Å; E661-V663 HydrophobicContact CG-CG1 3.96Å; E661-V663 PolarHBondContact O-N 3.44Å; V663-L676 HydrophobicContact CG2-CD2 4.28Å
664L90.1Very high92.3Very high115 Ų11547.5 Ų47.560%0.60227%0.268SS*.  trans-64.9144.8177.1-63.6175.9000110.3L651 D666 S669L651-L664 WeakPolarHBondContact CD2-O 3.36Å; L664-D666 HydrophobicContact CB-CB 3.98Å; L664-D666 PolarHBondContact O-N 3.33Å; L664-S669 WeakPolarHBondContact O-CB 3.46Å; L664-S669 PolarHBondContact O-OG 3.2Å; L664-S669 VanDerWaalsContact O-OG 3.05Å
665L92Very high92.3Very high7 Ų747.2 Ų47.24%0.03727%0.267CS..SBendtrans-75.467.8171.3-170.970.3000109.6P649 L651 M678 K749 V750 N751P649-L665 HydrophobicContact CB-CD1 4.18Å; P649-L665 HydrophobicContact CB-CD2 4.01Å; P649-L665 HydrophobicContact CG-CD2 4.06Å; L651-L665 HydrophobicContact CB-CD1 4.27Å; L665-M678 HydrophobicContact CD1-SD 4.45Å; L665-K749 WeakPolarHBondContact CD2-O 3.27Å; L665-V750 HydrophobicContact CD1-CG1 4.29Å; L665-N751 WeakPolarHBondContact O-CB 3.45Å; L665-N751 PolarHBondContact O-N 2.94Å
666D91.6Very high92.6Very high15 Ų1546.3 Ų46.38%0.0826%0.262CS..BIsolated β-bridgetrans-140.3149.2-167.9-167.791000111.4L664 S668 S669 N751 S753L664-D666 HydrophobicContact CB-CB 3.98Å; L664-D666 PolarHBondContact O-N 3.33Å; D666-S668 PolarHBondContact O-N 2.82Å; D666-S668 WeakPolarHBondContact OD2-CB 3.32Å; D666-S668 PolarHBondContact OD2-N 3.43Å; D666-S668 PolarHBondContact OD2-OG 3.21Å; D666-S668 VanDerWaalsContact OD2-OG 3.05Å; D666-S669 WeakPolarHBondContact O-CB 3.31Å; D666-S669 PolarHBondContact O-N 3.4Å; D666-N751 HydrophobicContact CB-CB 4.41Å; D666-N751 WeakPolarHBondContact OD1-CB 3.32Å; D666-N751 PolarHBondContact OD1-ND2 3.08Å; D666-S753 VanDerWaalsContact CG-OG 3.29Å; D666-S753 VanDerWaalsContact OD1-CB 3.32Å; D666-S753 WeakPolarHBondContact OD1-CB 3.3Å; D666-S753 PolarHBondContact OD1-OG 3.34Å; D666-S753 WeakPolarHBondContact OD2-CB 3.33Å; D666-S753 PolarHBondContact OD2-OG 2.95Å
667S90Very high93Very high0 Ų044.3 Ų44.30%025%0.252CS..G310 helixtrans-56-30.6175.743.20000113.7S669 I670 N751 S753 L754S667-S669 PolarHBondContact O-N 2.95Å; S667-I670 PolarHBondContact O-N 2.85Å; S667-N751 PolarHBondContact N-O 2.86Å; S667-N751 PolarHBondContact OG-O 2.93Å; S667-S753 PolarHBondContact OG-N 2.61Å; S667-S753 PolarHBondContact OG-OG 2.9Å; S667-L754 PolarHBondContact OG-N 3.43Å
668S90.7Very high93.4Very high52 Ų5238.8 Ų38.836%0.36422%0.222SC..G310 helixtrans-66.8-20.8177.671.30000113.3D666 I670 Q671D666-S668 PolarHBondContact O-N 2.82Å; D666-S668 WeakPolarHBondContact OD2-CB 3.32Å; D666-S668 PolarHBondContact OD2-N 3.43Å; D666-S668 PolarHBondContact OD2-OG 3.21Å; D666-S668 VanDerWaalsContact OD2-OG 3.05Å; S668-I670 VanDerWaalsContact C-N 3.3Å; S668-Q671 PolarHBondContact O-NE2 3.37Å
669S93.6Very high93.9Very high15 Ų1537.6 Ų37.611%0.10521%0.208CC..G310 helixtrans-81.3-11.4177.8-64.90000112.9L664 D666 S667 Q671L664-S669 WeakPolarHBondContact O-CB 3.46Å; L664-S669 PolarHBondContact O-OG 3.2Å; L664-S669 VanDerWaalsContact O-OG 3.05Å; D666-S669 WeakPolarHBondContact O-CB 3.31Å; D666-S669 PolarHBondContact O-N 3.4Å; S667-S669 PolarHBondContact O-N 2.95Å; S669-Q671 PolarHBondContact O-N 2.63Å; S669-Q671 VanDerWaalsContact O-N 3.11Å
670I93.3Very high94.1Very high4 Ų435.7 Ų35.72%0.02119%0.194CC..  trans-82.986.9176-52.7179.7000108.9S667 S668 L676 Y687 L746 L747 V750S667-I670 PolarHBondContact O-N 2.85Å; S668-I670 VanDerWaalsContact C-N 3.3Å; I670-L676 HydrophobicContact CG1-CD1 4.15Å; I670-Y687 HydrophobicContact CG2-CD1 4.43Å; I670-Y687 HydrophobicContact CG2-CE1 3.55Å; I670-Y687 WeakPolarHBondContact CG2-OH 3.47Å; I670-L746 HydrophobicContact CD1-CD2 4.11Å; I670-L746 HydrophobicContact CD1-CG 4.29Å; I670-L746 HydrophobicContact CG1-CD2 4.31Å; I670-L747 HydrophobicContact CD1-CD2 3.54Å; I670-V750 HydrophobicContact CD1-CG1 4.26Å; I670-V750 HydrophobicContact CD1-CG2 4.45Å
671Q93.4Very high94.3Very high35 Ų3531.8 Ų31.816%0.16418%0.176CC..  trans-102.6150.2-178-65.7-64.7-37.600111.3S668 S669 D673 R674 S770S668-Q671 PolarHBondContact O-NE2 3.37Å; S669-Q671 PolarHBondContact O-N 2.63Å; S669-Q671 VanDerWaalsContact O-N 3.11Å; Q671-D673 VanDerWaalsContact C-N 3.34Å; Q671-D673 PolarHBondContact O-N 3.36Å; Q671-R674 HydrophobicContact CB-CB 4.41Å; Q671-R674 HydrophobicContact CB-CG 3.85Å; Q671-S770 PolarHBondContact NE2-OG 2.89Å; Q671-S770 PolarHBondContact OE1-OG 2.86Å
672P94.2Very high94.3Very high37 Ų3729.3 Ų29.324%0.2416%0.164CC..THydrogen-bonded Turntrans-71.5-26.5-17328.5-36000113.6G689 D690 T691 I692P672-G689 CarbonylContact O-C 3.12Å; P672-G689 WeakPolarHBondContact O-CA 3.2Å; P672-D690 HydrophobicContact CB-CB 3.97Å; P672-D690 PolarHBondContact O-N 2.74Å; P672-T691 WeakPolarHBondContact O-CA 3.37Å; P672-T691 VanDerWaalsContact O-CB 3.25Å; P672-T691 WeakPolarHBondContact O-CB 3.39Å; P672-T691 PolarHBondContact O-N 2.99Å; P672-I692 PolarHBondContact O-N 3.48Å
673D92.9Very high94.3Very high68 Ų6824.7 Ų24.736%0.36413%0.133SC..THydrogen-bonded Turntrans-99.613.6-173.864.8-34000113.9L656 Q671L656-D673 HydrophobicContact CD1-CB 4.38Å; Q671-D673 VanDerWaalsContact C-N 3.34Å; Q671-D673 PolarHBondContact O-N 3.36Å
674R93.6Very high94.4Very high63 Ų6323.3 Ų23.324%0.23813%0.125CC..  trans-124.1156.5-174.9-52.9-168.6-176.2-155.3-6.8112.2S653 N655 E661 Q671 G689S653-R674 WeakPolarHBondContact OG-CD 3.32Å; S653-R674 PolarHBondContact OG-NH1 3.08Å; N655-R674 WeakPolarHBondContact OD1-CD 3.01Å; E661-R674 IonicContact OE1-CZ 3.91Å; E661-R674 IonicContact OE1-NH1 3.39Å; E661-R674 PolarHBondContact OE1-NH1 2.96Å; E661-R674 IonicContact OE1-NH2 3.68Å; Q671-R674 HydrophobicContact CB-CB 4.41Å; Q671-R674 HydrophobicContact CB-CG 3.85Å; R674-G689 WeakPolarHBondContact O-CA 3.46Å; R674-G689 PolarHBondContact O-N 3.44Å
675V95.9Very high94.8Very high2 Ų217.9 Ų17.91%0.01210%0.096CC..EExtended strand (participates in β ladder)trans-108.3135164179.50000108.9F654 I686 Y687 E688 I692 L713 P716F654-V675 HydrophobicContact CB-CB 4.31Å; F654-V675 PolarHBondContact N-O 2.91Å; F654-V675 PolarHBondContact O-N 2.63Å; F654-V675 VanDerWaalsContact O-N 3.08Å; V675-I686 HydrophobicContact CG1-CG2 3.6Å; V675-Y687 CarbonylContact C-O 3.59Å; V675-Y687 WeakPolarHBondContact CA-O 3.35Å; V675-E688 HydrophobicContact CG2-CG 4.27Å; V675-I692 HydrophobicContact CG2-CG1 4.38Å; V675-I692 HydrophobicContact CG2-CG2 4.03Å; V675-L713 HydrophobicContact CB-CD2 4.47Å; V675-L713 HydrophobicContact CG2-CD2 3.31Å; V675-P716 HydrophobicContact CG1-CB 4.4Å; V675-P716 HydrophobicContact CG1-CG 3.84Å
676L97.3Very high95Very high1 Ų117.6 Ų17.61%0.00510%0.095CC..EExtended strand (participates in β ladder)trans-111.8136.8179.5-56.1174.6000110.6L651 T652 V663 I670 I686 Y687 L746L651-L676 HydrophobicContact CD1-CB 3.91Å; L651-L676 HydrophobicContact CD1-CD1 4.34Å; L651-L676 HydrophobicContact CD2-CD1 4.23Å; L651-L676 HydrophobicContact CG-CD2 4.49Å; T652-L676 CarbonylContact O-C 3.46Å; T652-L676 VanDerWaalsContact O-CA 3.31Å; T652-L676 WeakPolarHBondContact O-CA 3.46Å; V663-L676 HydrophobicContact CG2-CD2 4.28Å; I670-L676 HydrophobicContact CG1-CD1 4.15Å; L676-I686 CarbonylContact O-C 3.55Å; L676-I686 VanDerWaalsContact O-CA 3.31Å; L676-I686 WeakPolarHBondContact O-CA 3.45Å; L676-Y687 HydrophobicContact CD1-CD1 4.07Å; L676-Y687 HydrophobicContact CG-CD1 4.38Å; L676-Y687 PolarHBondContact N-O 3.34Å; L676-Y687 PolarHBondContact O-N 3.05Å; L676-L746 HydrophobicContact CD1-CD2 4.08Å
677L97.6Very high95.3Very high6 Ų617.1 Ų17.13%0.0319%0.092CC..EExtended strand (participates in β ladder)trans-108.8114.2167.417862.4000108.8L651 T652 F654 I684 L685 I686 P716 E719 A720 L723L651-L677 WeakPolarHBondContact CA-O 3.38Å; T652-L677 PolarHBondContact N-O 2.98Å; T652-L677 PolarHBondContact O-N 3.1Å; F654-L677 HydrophobicContact CD2-CB 4.49Å; F654-L677 HydrophobicContact CE2-CB 3.68Å; F654-L677 HydrophobicContact CE2-CD2 4.34Å; F654-L677 HydrophobicContact CZ-CD2 4.4Å; L677-I684 HydrophobicContact CD1-CG2 3.74Å; L677-L685 CarbonylContact C-O 3.58Å; L677-L685 WeakPolarHBondContact CA-O 3.4Å; L677-I686 HydrophobicContact CD1-CG1 3.87Å; L677-P716 HydrophobicContact CB-CB 4.44Å; L677-E719 HydrophobicContact CD2-CB 3.83Å; L677-A720 HydrophobicContact CD1-CB 4.04Å; L677-L723 HydrophobicContact CD2-CD1 4.44Å
678M97.7Very high95.6Very high0 Ų017.6 Ų17.60%09%0.094CC..EExtended strand (participates in β ladder)trans-100.9128.6173.5-174.3-176.76600110.3P649 S650 L651 L665 L683 I684 L685 L746 K749P649-M678 HydrophobicContact CB-CG 4.08Å; P649-M678 HydrophobicContact CB-SD 4.33Å; S650-M678 VanDerWaalsContact O-CA 3.31Å; S650-M678 WeakPolarHBondContact O-CA 3.43Å; L651-M678 HydrophobicContact CD1-CB 3.82Å; L651-M678 HydrophobicContact CD1-CG 4.37Å; L665-M678 HydrophobicContact CD1-SD 4.45Å; M678-L683 HydrophobicContact CE-CD2 3.87Å; M678-L683 HydrophobicContact CE-CG 4.43Å; M678-I684 WeakPolarHBondContact O-CA 3.35Å; M678-L685 HydrophobicContact CB-CB 4.37Å; M678-L685 HydrophobicContact CE-CB 4.03Å; M678-L685 HydrophobicContact CE-CD1 4.42Å; M678-L685 PolarHBondContact N-O 3.15Å; M678-L685 PolarHBondContact O-N 2.83Å; M678-L746 HydrophobicContact CB-CD1 4.28Å; M678-L746 HydrophobicContact CG-CD1 4.37Å; M678-L746 HydrophobicContact SD-CD1 3.62Å; M678-K749 HydrophobicContact SD-CB 4.14Å; M678-K749 HydrophobicContact SD-CG 4.31Å
679D97.2Very high95.8Very high7 Ų715.1 Ų15.14%0.0378%0.077CC..EExtended strand (participates in β ladder)trans-117116.4169.2-178.20.9000109.8P649 S650 F681 I684 L723 R727P649-D679 CarbonylContact C-O 3.47Å; P649-D679 VanDerWaalsContact CA-O 3.25Å; P649-D679 WeakPolarHBondContact CA-O 3.29Å; P649-D679 WeakPolarHBondContact CB-O 3.45Å; S650-D679 PolarHBondContact N-O 3.35Å; S650-D679 PolarHBondContact O-N 3.34Å; D679-F681 WeakPolarHBondContact OD1-CA 3.43Å; D679-F681 PolarHBondContact OD1-N 3.22Å; D679-I684 HydrophobicContact CB-CD1 3.69Å; D679-I684 WeakPolarHBondContact OD1-CD1 3.43Å; D679-L723 HydrophobicContact CB-CD1 4.26Å; D679-R727 IonicContact OD1-NE 3.42Å; D679-R727 IonicContact OD1-NH2 2.71Å; D679-R727 IonicContact OD2-CZ 3.32Å; D679-R727 IonicContact OD2-NE 2.68Å; D679-R727 IonicContact OD2-NH2 3.86Å; D679-R727 PolarHBondContact OD2-NH2 3.22Å
680S96.1Very high95.9Very high10 Ų1016.4 Ų16.47%0.078%0.083CC..  trans-115.618.1177.963.30000112.8F682 L683S680-F682 PolarHBondContact O-N 2.99Å; S680-L683 PolarHBondContact N-O 3Å; S680-L683 WeakPolarHBondContact OG-CB 3.47Å; S680-L683 PolarHBondContact OG-N 2.94Å; S680-L683 VanDerWaalsContact OG-N 3.15Å; S680-L683 PolarHBondContact OG-O 2.96Å
681F97.1Very high95.9Very high2 Ų218.2 Ų18.21%0.0099%0.094CC..SBendtrans64.1-50.3-166.9-177.2-79.4000114.4V634 E638 N642 L645 M646 D679 F728 S731V634-F681 HydrophobicContact CG1-CD1 4.37Å; V634-F681 HydrophobicContact CG1-CE1 3.54Å; V634-F681 HydrophobicContact CG1-CZ 3.96Å; E638-F681 HydrophobicContact CG-CE2 3.95Å; E638-F681 HydrophobicContact CG-CZ 3.75Å; N642-F681 HydrophobicContact CB-CD2 3.72Å; N642-F681 HydrophobicContact CB-CE2 3.73Å; L645-F681 HydrophobicContact CB-CB 4.36Å; M646-F681 HydrophobicContact CE-CB 4.37Å; M646-F681 HydrophobicContact CE-CD1 3.58Å; M646-F681 HydrophobicContact CE-CD2 3.71Å; M646-F681 HydrophobicContact CE-CE1 3.67Å; M646-F681 HydrophobicContact CE-CE2 3.77Å; M646-F681 HydrophobicContact CE-CG 3.61Å; M646-F681 HydrophobicContact CE-CZ 3.75Å; M646-F681 HydrophobicContact CG-CB 3.63Å; M646-F681 HydrophobicContact CG-CD1 4.08Å; M646-F681 HydrophobicContact CG-CG 3.88Å; M646-F681 HydrophobicContact SD-CD1 4.39Å; D679-F681 WeakPolarHBondContact OD1-CA 3.43Å; D679-F681 PolarHBondContact OD1-N 3.22Å; F681-F728 WeakPolarHBondContact CZ-O 3.45Å; F681-S731 VanDerWaalsContact O-CB 3.29Å; F681-S731 WeakPolarHBondContact O-CB 3.37Å; F681-S731 PolarHBondContact O-OG 2.84Å
682F95.7Very high95.9Very high29 Ų2916.6 Ų16.613%0.1279%0.086CC..SBendtrans-81-26.3-179.8-62.5-71.5000113.1F617 Y630 Y631 V634 M646 S680 R732F617-F682 HydrophobicContact CZ-CE2 4.16Å; Y630-F682 HydrophobicContact CE1-CD1 4.17Å; Y630-F682 HydrophobicContact CE1-CE1 4.01Å; Y631-F682 AromaticContact CD1-CD1 3.98Å; Y631-F682 HydrophobicContact CD1-CD1 3.98Å; Y631-F682 HydrophobicContact CD1-CD2 4.12Å; Y631-F682 AromaticContact CD1-CE1 3.7Å; Y631-F682 HydrophobicContact CD1-CE1 3.7Å; Y631-F682 AromaticContact CD1-CE2 3.84Å; Y631-F682 HydrophobicContact CD1-CE2 3.84Å; Y631-F682 HydrophobicContact CD1-CG 4.18Å; Y631-F682 AromaticContact CD1-CZ 3.64Å; Y631-F682 HydrophobicContact CD1-CZ 3.64Å; Y631-F682 AromaticContact CE1-CD1 3.97Å; Y631-F682 HydrophobicContact CE1-CD1 3.97Å; Y631-F682 HydrophobicContact CE1-CD2 4.27Å; Y631-F682 HydrophobicContact CE1-CE1 4.17Å; Y631-F682 HydrophobicContact CE1-CE2 4.45Å; Y631-F682 HydrophobicContact CE1-CG 4.03Å; Y631-F682 HydrophobicContact CE1-CZ 4.41Å; V634-F682 HydrophobicContact CB-CE1 3.98Å; V634-F682 HydrophobicContact CB-CZ 3.9Å; V634-F682 HydrophobicContact CG1-CE1 3.79Å; V634-F682 HydrophobicContact CG1-CZ 3.77Å; V634-F682 HydrophobicContact CG2-CE1 4.13Å; M646-F682 HydrophobicContact CB-CE2 4.08Å; M646-F682 HydrophobicContact CG-CD2 4.19Å; M646-F682 HydrophobicContact CG-CE2 3.58Å; M646-F682 HydrophobicContact CG-CZ 4.2Å; M646-F682 HydrophobicContact SD-CE2 3.77Å; M646-F682 HydrophobicContact SD-CZ 3.83Å; S680-F682 PolarHBondContact O-N 2.99Å; F682-R732 PolarHBondContact O-N 3.46Å
683L95.9Very high95.8Very high22 Ų2214.9 Ų14.912%0.1158%0.075CC..EExtended strand (participates in β ladder)trans-136126.2-179.1170.869.8000109.7M678 S680 L685 R732 V734 F745M678-L683 HydrophobicContact CE-CD2 3.87Å; M678-L683 HydrophobicContact CE-CG 4.43Å; S680-L683 PolarHBondContact N-O 3Å; S680-L683 WeakPolarHBondContact OG-CB 3.47Å; S680-L683 PolarHBondContact OG-N 2.94Å; S680-L683 VanDerWaalsContact OG-N 3.15Å; S680-L683 PolarHBondContact OG-O 2.96Å; L683-L685 HydrophobicContact CD1-CB 4.39Å; L683-L685 HydrophobicContact CD2-CB 4.27Å; L683-L685 HydrophobicContact CD2-CD1 4.13Å; L683-L685 HydrophobicContact CG-CB 4.11Å; L683-R732 CarbonylContact C-O 3.59Å; L683-R732 WeakPolarHBondContact CA-O 3.41Å; L683-R732 HydrophobicContact CD1-CB 4.07Å; L683-R732 HydrophobicContact CD1-CG 4.11Å; L683-V734 HydrophobicContact CD1-CB 3.99Å; L683-V734 HydrophobicContact CD1-CG2 3.58Å; L683-F745 HydrophobicContact CD2-CB 3.65Å; L683-F745 HydrophobicContact CD2-CD2 4.32Å; L683-F745 HydrophobicContact CD2-CG 3.97Å
684I97.2Very high95.9Very high0 Ų017.3 Ų17.30%08%0.083CC..EExtended strand (participates in β ladder)trans-101119.3163.2-55.8-59.2000107.1L677 M678 D679 A720 L723 L724 R732 Y733 V734L677-I684 HydrophobicContact CD1-CG2 3.74Å; M678-I684 WeakPolarHBondContact O-CA 3.35Å; D679-I684 HydrophobicContact CB-CD1 3.69Å; D679-I684 WeakPolarHBondContact OD1-CD1 3.43Å; I684-A720 HydrophobicContact CG2-CB 3.62Å; I684-L723 HydrophobicContact CD1-CB 4.27Å; I684-L723 HydrophobicContact CD1-CD1 4.03Å; I684-L724 HydrophobicContact CG1-CD2 4.18Å; I684-L724 HydrophobicContact CG1-CG 4.42Å; I684-R732 PolarHBondContact N-O 2.84Å; I684-Y733 HydrophobicContact CB-CD2 4.33Å; I684-Y733 HydrophobicContact CG2-CD2 4.17Å; I684-Y733 HydrophobicContact CG2-CE2 4.48Å; I684-Y733 WeakPolarHBondContact O-CA 3.32Å; I684-V734 PolarHBondContact O-N 2.76Å
685L97.4Very high95.8Very high1 Ų118.2 Ų18.21%0.0059%0.086CC..EExtended strand (participates in β ladder)trans-127.2127.8-175.5-179.4150.9000111L677 M678 L683 V734 T736 F745 L746L677-L685 CarbonylContact C-O 3.58Å; L677-L685 WeakPolarHBondContact CA-O 3.4Å; M678-L685 HydrophobicContact CB-CB 4.37Å; M678-L685 HydrophobicContact CE-CB 4.03Å; M678-L685 HydrophobicContact CE-CD1 4.42Å; M678-L685 PolarHBondContact N-O 3.15Å; M678-L685 PolarHBondContact O-N 2.83Å; L683-L685 HydrophobicContact CD1-CB 4.39Å; L683-L685 HydrophobicContact CD2-CB 4.27Å; L683-L685 HydrophobicContact CD2-CD1 4.13Å; L683-L685 HydrophobicContact CG-CB 4.11Å; L685-V734 CarbonylContact C-O 3.57Å; L685-V734 VanDerWaalsContact CA-O 3.26Å; L685-V734 WeakPolarHBondContact CA-O 3.49Å; L685-V734 HydrophobicContact CD1-CB 4.4Å; L685-V734 HydrophobicContact CD1-CG1 4.17Å; L685-V734 HydrophobicContact CG-CB 4.42Å; L685-V734 HydrophobicContact CG-CG1 4.4Å; L685-T736 HydrophobicContact CD1-CG2 4.21Å; L685-T736 HydrophobicContact CD2-CG2 4.06Å; L685-T736 HydrophobicContact CG-CG2 4.22Å; L685-F745 HydrophobicContact CD1-CB 3.66Å; L685-F745 HydrophobicContact CD1-CD2 4.39Å; L685-L746 HydrophobicContact CD2-CB 4.11Å
686I97.5Very high95.6Very high1 Ų122.2 Ų22.21%0.00510%0.103CC..EExtended strand (participates in β ladder)trans-100.7124.5168.3-59.7178.3000108V675 L676 L677 P716 R717 A720 Y733 V734 E735 T736V675-I686 HydrophobicContact CG1-CG2 3.6Å; L676-I686 CarbonylContact O-C 3.55Å; L676-I686 VanDerWaalsContact O-CA 3.31Å; L676-I686 WeakPolarHBondContact O-CA 3.45Å; L677-I686 HydrophobicContact CD1-CG1 3.87Å; I686-P716 HydrophobicContact CD1-CB 4.1Å; I686-P716 HydrophobicContact CG1-CB 4.38Å; I686-P716 HydrophobicContact CG2-CB 4.47Å; I686-R717 HydrophobicContact CD1-CB 4.28Å; I686-R717 HydrophobicContact CD1-CG 3.69Å; I686-A720 HydrophobicContact CD1-CB 4.33Å; I686-Y733 HydrophobicContact CD1-CE2 4.14Å; I686-Y733 VanDerWaalsContact CD1-OH 3.32Å; I686-Y733 WeakPolarHBondContact CD1-OH 3.28Å; I686-Y733 HydrophobicContact CG1-CE2 4.46Å; I686-V734 PolarHBondContact N-O 2.85Å; I686-E735 HydrophobicContact CB-CG 4.25Å; I686-E735 HydrophobicContact CD1-CG 4.4Å; I686-E735 WeakPolarHBondContact O-CA 3.35Å; I686-T736 PolarHBondContact O-N 2.99Å
687Y97.2Very high95.3Very high5 Ų529 Ų292%0.0213%0.133CC..EExtended strand (participates in β ladder)trans-115.5119.1177.5174.2-87.4000109.9I670 V675 L676 T736 H738 A743 L746I670-Y687 HydrophobicContact CG2-CD1 4.43Å; I670-Y687 HydrophobicContact CG2-CE1 3.55Å; I670-Y687 WeakPolarHBondContact CG2-OH 3.47Å; V675-Y687 CarbonylContact C-O 3.59Å; V675-Y687 WeakPolarHBondContact CA-O 3.35Å; L676-Y687 HydrophobicContact CD1-CD1 4.07Å; L676-Y687 HydrophobicContact CG-CD1 4.38Å; L676-Y687 PolarHBondContact N-O 3.34Å; L676-Y687 PolarHBondContact O-N 3.05Å; Y687-T736 CarbonylContact C-O 3.6Å; Y687-T736 VanDerWaalsContact CA-O 3.31Å; Y687-T736 WeakPolarHBondContact CA-O 2.98Å; Y687-T736 HydrophobicContact CD2-CG2 4.02Å; Y687-H738 WeakPolarHBondContact OH-CA 3.34Å; Y687-H738 WeakPolarHBondContact OH-CB 3.31Å; Y687-H738 PolarHBondContact OH-ND1 3.09Å; Y687-A743 HydrophobicContact CD2-CB 4.2Å; Y687-A743 HydrophobicContact CE2-CB 3.91Å; Y687-L746 HydrophobicContact CD1-CD2 4.21Å; Y687-L746 HydrophobicContact CD2-CD2 3.97Å; Y687-L746 HydrophobicContact CG-CD2 3.74Å
688E95.7Very high95.1Very high9 Ų931.3 Ų31.34%0.04215%0.153CC..EExtended strand (participates in β ladder)trans-90.5121.6173.8-64.2175.7172.300109.9V675 I692 K696 R717 T736 E737 H738V675-E688 HydrophobicContact CG2-CG 4.27Å; E688-I692 HydrophobicContact CB-CB 4.49Å; E688-I692 HydrophobicContact CB-CG2 4.15Å; E688-I692 HydrophobicContact CG-CG2 4.36Å; E688-K696 IonicContact OE1-NZ 3.69Å; E688-K696 PolarHBondContact OE1-NZ 3.3Å; E688-K696 VanDerWaalsContact OE2-CD 3.23Å; E688-K696 WeakPolarHBondContact OE2-CD 3.49Å; E688-K696 IonicContact OE2-NZ 3.27Å; E688-K696 PolarHBondContact OE2-NZ 3.17Å; E688-R717 IonicContact OE1-NH2 2.74Å; E688-R717 PolarHBondContact OE1-NH2 3.25Å; E688-R717 VanDerWaalsContact OE1-NH2 3.15Å; E688-T736 PolarHBondContact N-O 2.81Å; E688-E737 HydrophobicContact CB-CB 4.24Å; E688-E737 CarbonylContact O-C 3.56Å; E688-E737 WeakPolarHBondContact O-CA 3.33Å; E688-H738 PolarHBondContact O-N 2.9Å
689G95.1Very high94.8Very high0 Ų032.5 Ų32.50%017%0.165CC..  trans-61.6163.2175.900000113.5P672 R674 T691 I692 A693P672-G689 CarbonylContact O-C 3.12Å; P672-G689 WeakPolarHBondContact O-CA 3.2Å; R674-G689 WeakPolarHBondContact O-CA 3.46Å; R674-G689 PolarHBondContact O-N 3.44Å; G689-T691 PolarHBondContact O-N 2.98Å; G689-I692 WeakPolarHBondContact O-CB 3.4Å; G689-I692 PolarHBondContact O-N 2.91Å; G689-I692 VanDerWaalsContact O-N 3.11Å; G689-A693 WeakPolarHBondContact O-CB 3.39Å; G689-A693 PolarHBondContact O-N 3.28Å
690D95.2Very high94.4Very high43 Ų4337.1 Ų37.123%0.2318%0.182CC..Hα-helixtrans-53.3-48.1-174-179.840.4000113.9P672 I692 A693 K694 H738P672-D690 HydrophobicContact CB-CB 3.97Å; P672-D690 PolarHBondContact O-N 2.74Å; D690-I692 PolarHBondContact O-N 3.49Å; D690-A693 PolarHBondContact O-N 2.78Å; D690-K694 VanDerWaalsContact CG-NZ 3.29Å; D690-K694 WeakPolarHBondContact O-CB 3.43Å; D690-K694 WeakPolarHBondContact O-CG 3.28Å; D690-K694 PolarHBondContact O-N 3Å; D690-K694 WeakPolarHBondContact OD1-CE 3.32Å; D690-K694 IonicContact OD1-NZ 3.08Å; D690-K694 PolarHBondContact OD1-NZ 3.16Å; D690-K694 VanDerWaalsContact OD1-NZ 3.16Å; D690-K694 WeakPolarHBondContact OD2-CE 3.35Å; D690-K694 IonicContact OD2-NZ 2.83Å; D690-K694 PolarHBondContact OD2-NZ 3.12Å; D690-H738 HydrophobicContact CB-CB 4Å; D690-H738 IonicContact OD1-CD2 3.91Å
691T93.8Very high94Very high41 Ų4137.5 Ų37.525%0.25218%0.183SC..Hα-helixtrans-62.8-44.2178.1-58.80000111P672 G689 K694 W695P672-T691 WeakPolarHBondContact O-CA 3.37Å; P672-T691 VanDerWaalsContact O-CB 3.25Å; P672-T691 WeakPolarHBondContact O-CB 3.39Å; P672-T691 PolarHBondContact O-N 2.99Å; G689-T691 PolarHBondContact O-N 2.98Å; T691-K694 PolarHBondContact O-N 3.47Å; T691-W695 HydrophobicContact CG2-CD2 4.06Å; T691-W695 VanDerWaalsContact CG2-CE2 3.47Å; T691-W695 HydrophobicContact CG2-CH2 4.2Å; T691-W695 HydrophobicContact CG2-CZ2 3.56Å; T691-W695 VanDerWaalsContact O-CG 3.28Å; T691-W695 PolarHBondContact O-N 3.1Å
692I92.8Very high93.5Very high1 Ų143 Ų431%0.00521%0.213CC..Hα-helixtrans-62.1-46.5178.4-56.4-57.2000110.8L656 P672 V675 E688 G689 D690 K694 W695 K696 L713L656-I692 HydrophobicContact CD1-CD1 4.23Å; L656-I692 HydrophobicContact CD2-CD1 3.59Å; L656-I692 HydrophobicContact CG-CD1 4.09Å; P672-I692 PolarHBondContact O-N 3.48Å; V675-I692 HydrophobicContact CG2-CG1 4.38Å; V675-I692 HydrophobicContact CG2-CG2 4.03Å; E688-I692 HydrophobicContact CB-CB 4.49Å; E688-I692 HydrophobicContact CB-CG2 4.15Å; E688-I692 HydrophobicContact CG-CG2 4.36Å; G689-I692 WeakPolarHBondContact O-CB 3.4Å; G689-I692 PolarHBondContact O-N 2.91Å; G689-I692 VanDerWaalsContact O-N 3.11Å; D690-I692 PolarHBondContact O-N 3.49Å; I692-K694 VanDerWaalsContact C-N 3.34Å; I692-K694 PolarHBondContact O-N 3.21Å; I692-W695 HydrophobicContact CD1-CE3 4.35Å; I692-W695 HydrophobicContact CD1-CZ3 4.43Å; I692-W695 PolarHBondContact O-N 3.33Å; I692-K696 WeakPolarHBondContact O-CB 3.36Å; I692-K696 PolarHBondContact O-N 2.93Å; I692-L713 HydrophobicContact CD1-CD2 4.35Å; I692-L713 HydrophobicContact CG2-CD1 4.05Å; I692-L713 HydrophobicContact CG2-CD2 3.8Å
693A92.7Very high93.3Very high2 Ų245.7 Ų45.72%0.01723%0.227CC..Hα-helixtrans-61.3-42.6178.300000111.6G689 D690 K696 K697 E737G689-A693 WeakPolarHBondContact O-CB 3.39Å; G689-A693 PolarHBondContact O-N 3.28Å; D690-A693 PolarHBondContact O-N 2.78Å; A693-K696 PolarHBondContact O-N 2.71Å; A693-K697 WeakPolarHBondContact O-CB 3.38Å; A693-K697 WeakPolarHBondContact O-CG 3.36Å; A693-K697 PolarHBondContact O-N 3.26Å; A693-E737 HydrophobicContact CB-CB 3.8Å
694K94.5Very high93Very high119 Ų11950.2 Ų50.252%0.51726%0.258SS..Hα-helixtrans-61.9-44.6174.7-76.7168.8177.1162.20112.2D690 T691 I692 K697 A698D690-K694 VanDerWaalsContact CG-NZ 3.29Å; D690-K694 WeakPolarHBondContact O-CB 3.43Å; D690-K694 WeakPolarHBondContact O-CG 3.28Å; D690-K694 PolarHBondContact O-N 3Å; D690-K694 WeakPolarHBondContact OD1-CE 3.32Å; D690-K694 IonicContact OD1-NZ 3.08Å; D690-K694 PolarHBondContact OD1-NZ 3.16Å; D690-K694 VanDerWaalsContact OD1-NZ 3.16Å; D690-K694 WeakPolarHBondContact OD2-CE 3.35Å; D690-K694 IonicContact OD2-NZ 2.83Å; D690-K694 PolarHBondContact OD2-NZ 3.12Å; T691-K694 PolarHBondContact O-N 3.47Å; I692-K694 VanDerWaalsContact C-N 3.34Å; I692-K694 PolarHBondContact O-N 3.21Å; K694-K697 PolarHBondContact O-N 3.11Å; K694-A698 WeakPolarHBondContact O-CB 3.41Å; K694-A698 PolarHBondContact O-N 3.1Å
695W92.4Very high92.6Very high82 Ų8258.3 Ų58.331%0.31130%0.296SS..Hα-helixtrans-64.7-39.5178.3-69.6-3.7000112.9L656 T691 I692 A698 G699 Y700 I709L656-W695 HydrophobicContact CD1-CH2 3.66Å; L656-W695 HydrophobicContact CD1-CZ3 3.58Å; L656-W695 HydrophobicContact CD2-CZ3 3.89Å; L656-W695 HydrophobicContact CG-CZ3 4.41Å; T691-W695 HydrophobicContact CG2-CD2 4.06Å; T691-W695 VanDerWaalsContact CG2-CE2 3.47Å; T691-W695 HydrophobicContact CG2-CH2 4.2Å; T691-W695 HydrophobicContact CG2-CZ2 3.56Å; T691-W695 VanDerWaalsContact O-CG 3.28Å; T691-W695 PolarHBondContact O-N 3.1Å; I692-W695 HydrophobicContact CD1-CE3 4.35Å; I692-W695 HydrophobicContact CD1-CZ3 4.43Å; I692-W695 PolarHBondContact O-N 3.33Å; W695-A698 PolarHBondContact O-N 3.49Å; W695-G699 PolarHBondContact O-N 2.83Å; W695-Y700 HydrophobicContact CB-CD2 4.12Å; W695-Y700 AromaticContact CD1-CD2 3.85Å; W695-Y700 HydrophobicContact CG-CD2 4.05Å; W695-Y700 PolarHBondContact O-N 3.46Å; W695-Y700 VanDerWaalsContact O-N 3.11Å; W695-I709 HydrophobicContact CZ3-CD1 4.42Å
696K90.7Very high92.1Very high86 Ų8662.5 Ų62.537%0.37431%0.312SS..Hα-helixtrans-62.5-47.8174.4-172.6176.1179.8-179.90111.4E688 I692 A693 A698 G699 L701E688-K696 IonicContact OE1-NZ 3.69Å; E688-K696 PolarHBondContact OE1-NZ 3.3Å; E688-K696 VanDerWaalsContact OE2-CD 3.23Å; E688-K696 WeakPolarHBondContact OE2-CD 3.49Å; E688-K696 IonicContact OE2-NZ 3.27Å; E688-K696 PolarHBondContact OE2-NZ 3.17Å; I692-K696 WeakPolarHBondContact O-CB 3.36Å; I692-K696 PolarHBondContact O-N 2.93Å; A693-K696 PolarHBondContact O-N 2.71Å; K696-A698 VanDerWaalsContact C-N 3.3Å; K696-A698 PolarHBondContact O-N 2.67Å; K696-G699 PolarHBondContact O-N 3.45Å; K696-L701 HydrophobicContact CB-CD1 3.77Å; K696-L701 HydrophobicContact CG-CD1 4.1Å
697K92.3Very high91.5Very high144 Ų14464.7 Ų64.763%0.62633%0.33SS*.Hα-helixtrans-63-34.1176.4-73.6172.7-176.4169.50113A693 K694 G699 E737A693-K697 WeakPolarHBondContact O-CB 3.38Å; A693-K697 WeakPolarHBondContact O-CG 3.36Å; A693-K697 PolarHBondContact O-N 3.26Å; K694-K697 PolarHBondContact O-N 3.11Å; K697-G699 PolarHBondContact O-N 3.16Å; K697-E737 WeakPolarHBondContact CE-OE1 3.17Å; K697-E737 VanDerWaalsContact CE-OE2 3.32Å; K697-E737 WeakPolarHBondContact CE-OE2 3.45Å; K697-E737 IonicContact NZ-OE1 2.79Å; K697-E737 PolarHBondContact NZ-OE1 3.11Å; K697-E737 IonicContact NZ-OE2 2.66Å
698A93.5Very high91Very high54 Ų5469.9 Ų69.945%0.44635%0.354SS..THydrogen-bonded Turntrans-75.2-7.3175.500000113.7K694 W695 K696 Y700K694-A698 WeakPolarHBondContact O-CB 3.41Å; K694-A698 PolarHBondContact O-N 3.1Å; W695-A698 PolarHBondContact O-N 3.49Å; K696-A698 VanDerWaalsContact C-N 3.3Å; K696-A698 PolarHBondContact O-N 2.67Å; A698-Y700 VanDerWaalsContact C-N 3.29Å; A698-Y700 HydrophobicContact CB-CD1 4.37Å; A698-Y700 HydrophobicContact CB-CD2 3.97Å; A698-Y700 HydrophobicContact CB-CE1 4.23Å; A698-Y700 HydrophobicContact CB-CE2 3.82Å; A698-Y700 HydrophobicContact CB-CG 4.24Å; A698-Y700 PolarHBondContact O-N 2.9Å
699G91.4Very high90.4Very high24 Ų2470.8 Ų70.825%0.24736%0.359CS..THydrogen-bonded Turntrans75.512-179.500000114.4W695 K696 K697 L701 D702W695-G699 PolarHBondContact O-N 2.83Å; K696-G699 PolarHBondContact O-N 3.45Å; K697-G699 PolarHBondContact O-N 3.16Å; G699-L701 VanDerWaalsContact C-N 3.29Å; G699-L701 PolarHBondContact O-N 2.99Å; G699-D702 PolarHBondContact O-N 3.44Å
700Y89.2Confident90.1Very high104 Ų10474.9 Ų74.941%0.40838%0.377SS..G310 helixtrans-62.5-38.8179.5-64-31.5000111.6W695 A698 D702 M703 Y706W695-Y700 HydrophobicContact CB-CD2 4.12Å; W695-Y700 AromaticContact CD1-CD2 3.85Å; W695-Y700 HydrophobicContact CG-CD2 4.05Å; W695-Y700 PolarHBondContact O-N 3.46Å; W695-Y700 VanDerWaalsContact O-N 3.11Å; A698-Y700 VanDerWaalsContact C-N 3.29Å; A698-Y700 HydrophobicContact CB-CD1 4.37Å; A698-Y700 HydrophobicContact CB-CD2 3.97Å; A698-Y700 HydrophobicContact CB-CE1 4.23Å; A698-Y700 HydrophobicContact CB-CE2 3.82Å; A698-Y700 HydrophobicContact CB-CG 4.24Å; A698-Y700 PolarHBondContact O-N 2.9Å; Y700-D702 PolarHBondContact O-N 2.92Å; Y700-D702 VanDerWaalsContact O-N 3.08Å; Y700-M703 HydrophobicContact CD1-CE 3.87Å; Y700-M703 HydrophobicContact CD1-SD 4.15Å; Y700-M703 HydrophobicContact CE1-CE 4.35Å; Y700-M703 WeakPolarHBondContact O-CB 3.39Å; Y700-M703 PolarHBondContact O-N 3.01Å; Y700-Y706 WeakPolarHBondContact O-CD2 3.48Å
701L85.9Confident89.7Confident18 Ų1879.5 Ų79.59%0.09440%0.397CS..G310 helixtrans-64.2-17.8-178-58.7-180000114.1K696 G699 I709 K710 L713K696-L701 HydrophobicContact CB-CD1 3.77Å; K696-L701 HydrophobicContact CG-CD1 4.1Å; G699-L701 VanDerWaalsContact C-N 3.29Å; G699-L701 PolarHBondContact O-N 2.99Å; L701-I709 HydrophobicContact CD2-CB 4.32Å; L701-I709 HydrophobicContact CD2-CG2 3.7Å; L701-K710 WeakPolarHBondContact O-CD 3.38Å; L701-L713 HydrophobicContact CD1-CD1 3.4Å; L701-L713 HydrophobicContact CD2-CD1 3.63Å; L701-L713 HydrophobicContact CG-CD1 4.15Å
702D88.4Confident89.2Confident119 Ų11978.4 Ų78.464%0.63639%0.39SS*.G310 helixtrans-91.1-8.3176.9-66.3-43.1000113.3G699 Y700 K710G699-D702 PolarHBondContact O-N 3.44Å; Y700-D702 PolarHBondContact O-N 2.92Å; Y700-D702 VanDerWaalsContact O-N 3.08Å; D702-K710 IonicContact OD1-NZ 3.35Å; D702-K710 PolarHBondContact OD1-NZ 3.37Å
703M90.6Very high88.9Confident85 Ų8578.9 Ų78.942%0.41939%0.392SS..SBendtrans-75.4138.7175.9-55.1179.9176.100110.1Y700 E705 Y706Y700-M703 HydrophobicContact CD1-CE 3.87Å; Y700-M703 HydrophobicContact CD1-SD 4.15Å; Y700-M703 HydrophobicContact CE1-CE 4.35Å; Y700-M703 WeakPolarHBondContact O-CB 3.39Å; Y700-M703 PolarHBondContact O-N 3.01Å; M703-E705 PolarHBondContact O-N 3.06Å; M703-E705 VanDerWaalsContact O-N 3.07Å; M703-Y706 HydrophobicContact CB-CD2 4.04Å; M703-Y706 PolarHBondContact O-N 3.08Å; M703-Y706 HydrophobicContact SD-CD2 4.44Å; M703-Y706 HydrophobicContact SD-CE2 4.2Å
704P89.4Confident88.8Confident117 Ų11782.2 Ų82.276%0.7641%0.41SS*.G310 helixtrans-54.7-31.3-178.8-27.634.6000114.4Y706 A707P704-Y706 PolarHBondContact O-N 2.98Å; P704-A707 WeakPolarHBondContact O-CB 3.48Å; P704-A707 PolarHBondContact O-N 2.81Å
705E88.7Confident88.8Confident170 Ų17079.9 Ų79.979%0.79440%0.4SS*.G310 helixtrans-65.2-25.5179.5-62.7174-155.300112.9M703M703-E705 PolarHBondContact O-N 3.06Å; M703-E705 VanDerWaalsContact O-N 3.07Å
706Y87.1Confident88.9Confident88 Ų8876 Ų7635%0.34539%0.385SS..G310 helixtrans-105.615.1179.7-58.2-66.3000113.1Y700 M703 P704 H708 I709 K710Y700-Y706 WeakPolarHBondContact O-CD2 3.48Å; M703-Y706 HydrophobicContact CB-CD2 4.04Å; M703-Y706 PolarHBondContact O-N 3.08Å; M703-Y706 HydrophobicContact SD-CD2 4.44Å; M703-Y706 HydrophobicContact SD-CE2 4.2Å; P704-Y706 PolarHBondContact O-N 2.98Å; Y706-H708 PolarHBondContact O-N 2.89Å; Y706-I709 HydrophobicContact CD1-CD1 3.71Å; Y706-I709 HydrophobicContact CG-CD1 4.47Å; Y706-I709 WeakPolarHBondContact O-CB 3.31Å; Y706-I709 PolarHBondContact O-N 2.91Å; Y706-K710 PolarHBondContact O-N 3.18Å; Y706-K710 VanDerWaalsContact O-N 3.07Å
707A85.7Confident89.2Confident47 Ų4774.2 Ų74.239%0.38838%0.376SS..Hα-helixtrans-56.4-35.1-179.900000113.3P704 K710 Q711P704-A707 WeakPolarHBondContact O-CB 3.48Å; P704-A707 PolarHBondContact O-N 2.81Å; A707-K710 PolarHBondContact O-N 3.44Å; A707-Q711 WeakPolarHBondContact O-CG 3.5Å; A707-Q711 PolarHBondContact O-N 3.19Å; A707-Q711 VanDerWaalsContact O-N 3.1Å
708H85.2Confident89.3Confident114 Ų11474.4 Ų74.453%0.52837%0.374SS..Hα-helixtrans-61.4-42.9173.7172.2-95000112.2Y706 K710 Q711 I712Y706-H708 PolarHBondContact O-N 2.89Å; H708-K710 VanDerWaalsContact C-N 3.35Å; H708-Q711 PolarHBondContact O-N 3.28Å; H708-I712 WeakPolarHBondContact CE1-CD1 3.44Å; H708-I712 WeakPolarHBondContact O-CG1 3.45Å; H708-I712 PolarHBondContact O-N 3.04Å
709I84.9Confident89.3Confident28 Ų2874.2 Ų74.214%0.14436%0.364CS..Hα-helixtrans-65.5-42.2177.9-57.3-177.9000109.7L656 W695 L701 Y706 Q711 I712 L713L656-I709 HydrophobicContact CD2-CG2 3.78Å; W695-I709 HydrophobicContact CZ3-CD1 4.42Å; L701-I709 HydrophobicContact CD2-CB 4.32Å; L701-I709 HydrophobicContact CD2-CG2 3.7Å; Y706-I709 HydrophobicContact CD1-CD1 3.71Å; Y706-I709 HydrophobicContact CG-CD1 4.47Å; Y706-I709 WeakPolarHBondContact O-CB 3.31Å; Y706-I709 PolarHBondContact O-N 2.91Å; I709-Q711 VanDerWaalsContact C-N 3.31Å; I709-Q711 PolarHBondContact O-N 3.05Å; I709-I712 WeakPolarHBondContact O-CB 3.46Å; I709-I712 PolarHBondContact O-N 3.21Å; I709-I712 VanDerWaalsContact O-N 3.15Å; I709-L713 HydrophobicContact CG2-CD1 3.9Å; I709-L713 HydrophobicContact CG2-CG 4.24Å; I709-L713 VanDerWaalsContact O-CG 3.3Å; I709-L713 WeakPolarHBondContact O-CG 3.38Å; I709-L713 PolarHBondContact O-N 2.86Å
710K87Confident89.5Confident87 Ų8773.1 Ų73.138%0.37835%0.352SS..Hα-helixtrans-57.2-43.6176-171.9172.5-171.8159.20112.2L701 D702 Y706 A707 H708 I712 L713 D714L701-K710 WeakPolarHBondContact O-CD 3.38Å; D702-K710 IonicContact OD1-NZ 3.35Å; D702-K710 PolarHBondContact OD1-NZ 3.37Å; Y706-K710 PolarHBondContact O-N 3.18Å; Y706-K710 VanDerWaalsContact O-N 3.07Å; A707-K710 PolarHBondContact O-N 3.44Å; H708-K710 VanDerWaalsContact C-N 3.35Å; K710-I712 VanDerWaalsContact C-N 3.35Å; K710-I712 PolarHBondContact O-N 3.08Å; K710-L713 PolarHBondContact O-N 2.86Å; K710-D714 PolarHBondContact O-N 2.84Å; K710-D714 VanDerWaalsContact O-N 3.12Å
711Q86.7Confident89.8Confident139 Ų13973.3 Ų73.365%0.6536%0.356SS*.Hα-helixtrans-61.1-41.5176.4-71.7176.1-2.100112.6A707 H708 I709 L713 D714 K715A707-Q711 WeakPolarHBondContact O-CG 3.5Å; A707-Q711 PolarHBondContact O-N 3.19Å; A707-Q711 VanDerWaalsContact O-N 3.1Å; H708-Q711 PolarHBondContact O-N 3.28Å; I709-Q711 VanDerWaalsContact C-N 3.31Å; I709-Q711 PolarHBondContact O-N 3.05Å; Q711-L713 VanDerWaalsContact C-N 3.34Å; Q711-D714 PolarHBondContact O-N 3Å; Q711-K715 PolarHBondContact O-N 2.83Å
712I85.2Confident90.3Very high18 Ų1875.8 Ų75.89%0.09237%0.368CS..Hα-helixtrans-61.8-43.7175.8-68.6169.1000110.7N655 L656 H708 I709 K710 D714 K715 P716N655-I712 WeakPolarHBondContact O-CG2 3.46Å; L656-I712 VanDerWaalsContact O-CD1 3.3Å; L656-I712 WeakPolarHBondContact O-CD1 3.39Å; H708-I712 WeakPolarHBondContact CE1-CD1 3.44Å; H708-I712 WeakPolarHBondContact O-CG1 3.45Å; H708-I712 PolarHBondContact O-N 3.04Å; I709-I712 WeakPolarHBondContact O-CB 3.46Å; I709-I712 PolarHBondContact O-N 3.21Å; I709-I712 VanDerWaalsContact O-N 3.15Å; K710-I712 VanDerWaalsContact C-N 3.35Å; K710-I712 PolarHBondContact O-N 3.08Å; I712-D714 PolarHBondContact O-N 3.05Å; I712-K715 WeakPolarHBondContact O-CB 3.15Å; I712-K715 PolarHBondContact O-N 3.25Å; I712-P716 WeakPolarHBondContact O-CD 3.34Å
713L85.6Confident90.5Very high12 Ų1272.5 Ų72.56%0.06335%0.35CS..Hα-helixtrans-71.2-16.6-178.3-62.9174.7000113.8V675 I692 L701 I709 K710 Q711 P716 R717V675-L713 HydrophobicContact CB-CD2 4.47Å; V675-L713 HydrophobicContact CG2-CD2 3.31Å; I692-L713 HydrophobicContact CD1-CD2 4.35Å; I692-L713 HydrophobicContact CG2-CD1 4.05Å; I692-L713 HydrophobicContact CG2-CD2 3.8Å; L701-L713 HydrophobicContact CD1-CD1 3.4Å; L701-L713 HydrophobicContact CD2-CD1 3.63Å; L701-L713 HydrophobicContact CG-CD1 4.15Å; I709-L713 HydrophobicContact CG2-CD1 3.9Å; I709-L713 HydrophobicContact CG2-CG 4.24Å; I709-L713 VanDerWaalsContact O-CG 3.3Å; I709-L713 WeakPolarHBondContact O-CG 3.38Å; I709-L713 PolarHBondContact O-N 2.86Å; K710-L713 PolarHBondContact O-N 2.86Å; Q711-L713 VanDerWaalsContact C-N 3.34Å; L713-P716 WeakPolarHBondContact O-CG 3.47Å; L713-R717 PolarHBondContact O-NH1 3.47Å
714D91.1Very high90.7Very high71 Ų7169.8 Ų69.838%0.3834%0.337SS..Hα-helixtrans-88.3-19.5174.2-77.3-26.9000113.4K710 Q711 I712 R717 Y718K710-D714 PolarHBondContact O-N 2.84Å; K710-D714 VanDerWaalsContact O-N 3.12Å; Q711-D714 PolarHBondContact O-N 3Å; I712-D714 PolarHBondContact O-N 3.05Å; D714-R717 WeakPolarHBondContact O-CB 3.41Å; D714-R717 PolarHBondContact O-N 2.98Å; D714-R717 IonicContact OD1-CZ 3.53Å; D714-R717 IonicContact OD1-NH1 3.63Å; D714-R717 PolarHBondContact OD1-NH1 3.34Å; D714-Y718 PolarHBondContact O-N 2.86Å
715K93.5Very high90.8Very high71 Ų7170 Ų7031%0.30933%0.326SS..Hα-helixtrans-53.2-47.6176.4-164.9179.9-179.1-167.70114.2F654 E660 Q711 I712 R717 Y718 E719F654-K715 HydrophobicContact CD1-CB 4.21Å; F654-K715 HydrophobicContact CD1-CD 4.1Å; F654-K715 HydrophobicContact CD1-CG 4.31Å; F654-K715 HydrophobicContact CE1-CB 4.15Å; F654-K715 HydrophobicContact CE1-CD 3.89Å; F654-K715 HydrophobicContact CE1-CG 3.88Å; E660-K715 IonicContact OE1-NZ 3.58Å; E660-K715 PolarHBondContact OE1-NZ 3.1Å; E660-K715 WeakPolarHBondContact OE2-CE 3.49Å; E660-K715 IonicContact OE2-NZ 2.8Å; E660-K715 PolarHBondContact OE2-NZ 2.97Å; Q711-K715 PolarHBondContact O-N 2.83Å; I712-K715 WeakPolarHBondContact O-CB 3.15Å; I712-K715 PolarHBondContact O-N 3.25Å; K715-R717 PolarHBondContact O-N 2.91Å; K715-Y718 WeakPolarHBondContact O-CB 3.33Å; K715-Y718 PolarHBondContact O-N 2.63Å; K715-Y718 VanDerWaalsContact O-N 3.08Å; K715-E719 PolarHBondContact O-N 3.29Å
716P95.3Very high90.8Very high0 Ų067.2 Ų67.20%032%0.32CS..Hα-helixtrans-61.4-2917721.7-33.4000113.1F654 V675 L677 I686 I712 L713 A720F654-P716 HydrophobicContact CD2-CB 3.93Å; F654-P716 HydrophobicContact CD2-CG 4.35Å; F654-P716 HydrophobicContact CE1-CB 4.34Å; F654-P716 HydrophobicContact CE2-CB 3.76Å; F654-P716 HydrophobicContact CG-CB 4.33Å; F654-P716 HydrophobicContact CG-CG 4.34Å; F654-P716 HydrophobicContact CZ-CB 3.97Å; V675-P716 HydrophobicContact CG1-CB 4.4Å; V675-P716 HydrophobicContact CG1-CG 3.84Å; L677-P716 HydrophobicContact CB-CB 4.44Å; I686-P716 HydrophobicContact CD1-CB 4.1Å; I686-P716 HydrophobicContact CG1-CB 4.38Å; I686-P716 HydrophobicContact CG2-CB 4.47Å; I712-P716 WeakPolarHBondContact O-CD 3.34Å; L713-P716 WeakPolarHBondContact O-CG 3.47Å; P716-A720 VanDerWaalsContact O-CB 3.24Å; P716-A720 WeakPolarHBondContact O-CB 3.24Å; P716-A720 PolarHBondContact O-N 3.01Å
717R95.7Very high91Very high49 Ų4963.7 Ų63.719%0.18531%0.306CS..Hα-helixtrans-68.4-40.9174.7-62.4-176.317586.718111.4I686 E688 L713 D714 K715 A720 Q721 E735I686-R717 HydrophobicContact CD1-CB 4.28Å; I686-R717 HydrophobicContact CD1-CG 3.69Å; E688-R717 IonicContact OE1-NH2 2.74Å; E688-R717 PolarHBondContact OE1-NH2 3.25Å; E688-R717 VanDerWaalsContact OE1-NH2 3.15Å; L713-R717 PolarHBondContact O-NH1 3.47Å; D714-R717 WeakPolarHBondContact O-CB 3.41Å; D714-R717 PolarHBondContact O-N 2.98Å; D714-R717 IonicContact OD1-CZ 3.53Å; D714-R717 IonicContact OD1-NH1 3.63Å; D714-R717 PolarHBondContact OD1-NH1 3.34Å; K715-R717 PolarHBondContact O-N 2.91Å; R717-A720 PolarHBondContact O-N 3.26Å; R717-Q721 VanDerWaalsContact O-CG 3.28Å; R717-Q721 WeakPolarHBondContact O-CG 3.42Å; R717-Q721 PolarHBondContact O-N 3.25Å; R717-E735 IonicContact CZ-OE2 2.67Å; R717-E735 IonicContact NE-OE1 3.16Å; R717-E735 PolarHBondContact NE-OE1 2.78Å; R717-E735 IonicContact NE-OE2 2.76Å; R717-E735 PolarHBondContact NE-OE2 3.25Å; R717-E735 IonicContact NH2-OE2 2.82Å; R717-E735 PolarHBondContact NH2-OE2 3.35Å
718Y94.5Very high91.4Very high148 Ų14863.2 Ų63.258%0.5830%0.295SS*.Hα-helixtrans-62.6-47.4175.6179.5-95.4000111.3D714 K715 A720 Q721 E722D714-Y718 PolarHBondContact O-N 2.86Å; K715-Y718 WeakPolarHBondContact O-CB 3.33Å; K715-Y718 PolarHBondContact O-N 2.63Å; K715-Y718 VanDerWaalsContact O-N 3.08Å; Y718-A720 PolarHBondContact O-N 3.46Å; Y718-Q721 WeakPolarHBondContact O-CB 3.37Å; Y718-Q721 PolarHBondContact O-N 3.32Å; Y718-Q721 VanDerWaalsContact O-N 3.16Å; Y718-E722 HydrophobicContact CD1-CG 4.46Å; Y718-E722 HydrophobicContact CE1-CG 4Å; Y718-E722 PolarHBondContact O-N 3.43Å; Y718-E722 VanDerWaalsContact O-N 3.07Å
719E94.8Very high91.9Very high50 Ų5058.2 Ų58.223%0.23427%0.273CS..Hα-helixtrans-63-42.7177.2-71.6-172.4-157.900112.6L677 K715 Q721 E722 L723L677-E719 HydrophobicContact CD2-CB 3.83Å; K715-E719 PolarHBondContact O-N 3.29Å; E719-Q721 VanDerWaalsContact C-N 3.27Å; E719-Q721 PolarHBondContact O-N 2.78Å; E719-E722 PolarHBondContact O-N 3.45Å; E719-E722 VanDerWaalsContact O-N 3.17Å; E719-L723 WeakPolarHBondContact O-CG 3.2Å; E719-L723 PolarHBondContact O-N 3.46Å
720A96Very high92.4Very high0 Ų057.4 Ų57.40%027%0.27CS..Hα-helixtrans-57.7-40.1173.800000112.2L677 I684 I686 P716 R717 Y718 L723 L724 Y733L677-A720 HydrophobicContact CD1-CB 4.04Å; I684-A720 HydrophobicContact CG2-CB 3.62Å; I686-A720 HydrophobicContact CD1-CB 4.33Å; P716-A720 VanDerWaalsContact O-CB 3.24Å; P716-A720 WeakPolarHBondContact O-CB 3.24Å; P716-A720 PolarHBondContact O-N 3.01Å; R717-A720 PolarHBondContact O-N 3.26Å; Y718-A720 PolarHBondContact O-N 3.46Å; A720-L723 PolarHBondContact O-N 2.61Å; A720-L724 WeakPolarHBondContact O-CB 3.24Å; A720-L724 WeakPolarHBondContact O-CG 3.46Å; A720-L724 PolarHBondContact O-N 3.17Å; A720-Y733 HydrophobicContact CB-CD2 4.28Å; A720-Y733 HydrophobicContact CB-CE2 3.63Å
721Q95.1Very high92.8Very high108 Ų10853.4 Ų53.451%0.50525%0.253SS..Hα-helixtrans-65.7-39.8176.3-73.5174.61200112.5R717 Y718 E719 L724 K725R717-Q721 VanDerWaalsContact O-CG 3.28Å; R717-Q721 WeakPolarHBondContact O-CG 3.42Å; R717-Q721 PolarHBondContact O-N 3.25Å; Y718-Q721 WeakPolarHBondContact O-CB 3.37Å; Y718-Q721 PolarHBondContact O-N 3.32Å; Y718-Q721 VanDerWaalsContact O-N 3.16Å; E719-Q721 VanDerWaalsContact C-N 3.27Å; E719-Q721 PolarHBondContact O-N 2.78Å; Q721-L724 PolarHBondContact O-N 2.63Å; Q721-K725 WeakPolarHBondContact O-CG 3.26Å; Q721-K725 PolarHBondContact O-N 3.16Å; Q721-K725 VanDerWaalsContact O-N 3.11Å
722E94.9Very high93.3Very high71 Ų7152.5 Ų52.533%0.33224%0.243SC..Hα-helixtrans-63.9-43.2175-67.9-51.313000112Y718 E719 L724 K725Y718-E722 HydrophobicContact CD1-CG 4.46Å; Y718-E722 HydrophobicContact CE1-CG 4Å; Y718-E722 PolarHBondContact O-N 3.43Å; Y718-E722 VanDerWaalsContact O-N 3.07Å; E719-E722 PolarHBondContact O-N 3.45Å; E719-E722 VanDerWaalsContact O-N 3.17Å; E722-L724 PolarHBondContact O-N 3.36Å; E722-K725 PolarHBondContact O-N 3.02Å; E722-K725 IonicContact OE1-NZ 2.86Å; E722-K725 PolarHBondContact OE1-NZ 3.49Å; E722-K725 IonicContact OE2-NZ 3.04Å; E722-K725 PolarHBondContact OE2-NZ 2.93Å
723L93.9Very high93.7Very high49 Ų4955.6 Ų55.626%0.25725%0.254SS..Hα-helixtrans-59.6-48.7173.6-67.3173.1000110.6L677 D679 I684 E719 A720 K725 T726 R727L677-L723 HydrophobicContact CD2-CD1 4.44Å; D679-L723 HydrophobicContact CB-CD1 4.26Å; I684-L723 HydrophobicContact CD1-CB 4.27Å; I684-L723 HydrophobicContact CD1-CD1 4.03Å; E719-L723 WeakPolarHBondContact O-CG 3.2Å; E719-L723 PolarHBondContact O-N 3.46Å; A720-L723 PolarHBondContact O-N 2.61Å; L723-K725 PolarHBondContact O-N 3.47Å; L723-K725 VanDerWaalsContact O-N 3.16Å; L723-T726 PolarHBondContact O-N 3.06Å; L723-T726 VanDerWaalsContact O-N 3.17Å; L723-T726 PolarHBondContact O-OG1 2.88Å; L723-R727 WeakPolarHBondContact O-CG 3.31Å; L723-R727 PolarHBondContact O-N 2.98Å
724L93.8Very high94.3Very high28 Ų2855.6 Ų55.615%0.14726%0.255CS..Hα-helixtrans-59.7-28.4-179.9-75169.5000112.8R410 I684 A720 Q721 E722 T726 V730 S731 Y733R410-L724 PolarHBondContact NH1-O 3.07Å; R410-L724 PolarHBondContact NH2-O 3.43Å; I684-L724 HydrophobicContact CG1-CD2 4.18Å; I684-L724 HydrophobicContact CG1-CG 4.42Å; A720-L724 WeakPolarHBondContact O-CB 3.24Å; A720-L724 WeakPolarHBondContact O-CG 3.46Å; A720-L724 PolarHBondContact O-N 3.17Å; Q721-L724 PolarHBondContact O-N 2.63Å; E722-L724 PolarHBondContact O-N 3.36Å; L724-T726 VanDerWaalsContact C-N 3.33Å; L724-T726 PolarHBondContact O-N 3.33Å; L724-V730 HydrophobicContact CD2-CG1 4.13Å; L724-S731 WeakPolarHBondContact CD2-O 3.19Å; L724-Y733 HydrophobicContact CD1-CD2 3.9Å; L724-Y733 HydrophobicContact CD1-CG 4.15Å
725K91.6Very high94.5Very high123 Ų12356 Ų5654%0.53526%0.255SS..Hα-helixtrans-65.9-31178.4-74.6169.6-170.8174.40113.8R410 Q721 E722 L723R410-K725 PolarHBondContact NH1-O 3.47Å; Q721-K725 WeakPolarHBondContact O-CG 3.26Å; Q721-K725 PolarHBondContact O-N 3.16Å; Q721-K725 VanDerWaalsContact O-N 3.11Å; E722-K725 PolarHBondContact O-N 3.02Å; E722-K725 IonicContact OE1-NZ 2.86Å; E722-K725 PolarHBondContact OE1-NZ 3.49Å; E722-K725 IonicContact OE2-NZ 3.04Å; E722-K725 PolarHBondContact OE2-NZ 2.93Å; L723-K725 PolarHBondContact O-N 3.47Å; L723-K725 VanDerWaalsContact O-N 3.16Å
726T88.5Confident94.6Very high110 Ų11053.3 Ų53.368%0.67524%0.244SC*.Hα-helixtrans-99.8-21.4-171.9620000113.6L723 L724L723-T726 PolarHBondContact O-N 3.06Å; L723-T726 VanDerWaalsContact O-N 3.17Å; L723-T726 PolarHBondContact O-OG1 2.88Å; L724-T726 VanDerWaalsContact C-N 3.33Å; L724-T726 PolarHBondContact O-N 3.33Å
727R92.9Very high94.6Very high15 Ų1555.7 Ų55.76%0.05726%0.255CS..  trans-65.3137.6-176-68.2-83.2174.5-127.2-0.9113.6R410 N642 D679 L723 P729 S731R410-R727 PolarHBondContact NH1-O 3.02Å; N642-R727 PolarHBondContact OD1-NH1 3.24Å; D679-R727 IonicContact OD1-NE 3.42Å; D679-R727 IonicContact OD1-NH2 2.71Å; D679-R727 IonicContact OD2-CZ 3.32Å; D679-R727 IonicContact OD2-NE 2.68Å; D679-R727 IonicContact OD2-NH2 3.86Å; D679-R727 PolarHBondContact OD2-NH2 3.22Å; L723-R727 WeakPolarHBondContact O-CG 3.31Å; L723-R727 PolarHBondContact O-N 2.98Å; R727-P729 CarbonylContact C-O 3.56Å; R727-S731 WeakPolarHBondContact CG-OG 3.18Å
728F94.1Very high94.4Very high36 Ų3655.5 Ų55.516%0.15826%0.256CS..SBendtrans-141121.6168.5-177.5-81.1000109.7H392 I394 T407 R410 V411 F681H392-F728 HydrophobicContact CB-CZ 4.46Å; H392-F728 AromaticContact CE1-CE1 3.61Å; H392-F728 AromaticContact CE1-CZ 3.58Å; H392-F728 AromaticContact CG-CZ 3.83Å; H392-F728 AromaticContact ND1-CE1 3.18Å; H392-F728 WeakPolarHBondContact ND1-CE1 3.46Å; H392-F728 AromaticContact ND1-CZ 3.32Å; H392-F728 VanDerWaalsContact ND1-CZ 3.32Å; H392-F728 WeakPolarHBondContact ND1-CZ 3.31Å; I394-F728 HydrophobicContact CD1-CE1 4.2Å; I394-F728 HydrophobicContact CD1-CZ 4Å; T407-F728 HydrophobicContact CG2-CE2 4.22Å; R410-F728 HydrophobicContact CB-CD2 3.84Å; R410-F728 HydrophobicContact CB-CE2 4.18Å; V411-F728 HydrophobicContact CG2-CE2 3.96Å; V411-F728 HydrophobicContact CG2-CZ 4.05Å; F681-F728 WeakPolarHBondContact CZ-O 3.45Å
729P95.3Very high94.2Very high10 Ų1055.2 Ų55.27%0.06527%0.265CS..SBendcis-57.3163.6-7.6-26.439.6000113.1I394 T407 Y630 R727 S731I394-P729 HydrophobicContact CD1-CB 4.22Å; I394-P729 HydrophobicContact CD1-CG 3.65Å; T407-P729 HydrophobicContact CG2-CB 3.85Å; Y630-P729 HydrophobicContact CE2-CG 4.29Å; Y630-P729 WeakPolarHBondContact OH-CG 3.38Å; R727-P729 CarbonylContact C-O 3.56Å; P729-S731 PolarHBondContact O-N 2.92Å
730V95.5Very high94Very high11 Ų1153.7 Ų53.77%0.06726%0.262CS..PPolyproline II helixtrans-63132.3175.2-178.40000108.2L403 Q406 T407 L724L403-V730 HydrophobicContact CD1-CB 3.9Å; L403-V730 HydrophobicContact CD1-CG1 3.81Å; L403-V730 VanDerWaalsContact CD1-O 3.26Å; L403-V730 WeakPolarHBondContact CD1-O 3.09Å; Q406-V730 HydrophobicContact CB-CG2 3.89Å; T407-V730 WeakPolarHBondContact OG1-CB 3.38Å; T407-V730 WeakPolarHBondContact OG1-CG2 3.45Å; T407-V730 PolarHBondContact OG1-N 2.96Å; L724-V730 HydrophobicContact CD2-CG1 4.13Å
731S95.7Very high93.7Very high3 Ų358.2 Ų58.22%0.02129%0.294CS..PPolyproline II helixtrans-69.8147.4178.6-45.80000110.7L403 F681 L724 R727 P729 Y733L403-S731 WeakPolarHBondContact CD1-O 3.22Å; F681-S731 VanDerWaalsContact O-CB 3.29Å; F681-S731 WeakPolarHBondContact O-CB 3.37Å; F681-S731 PolarHBondContact O-OG 2.84Å; L724-S731 WeakPolarHBondContact CD2-O 3.19Å; R727-S731 WeakPolarHBondContact CG-OG 3.18Å; P729-S731 PolarHBondContact O-N 2.92Å; S731-Y733 PolarHBondContact O-N 3.14Å
732R95.4Very high93.6Very high120 Ų12055.9 Ų55.945%0.45328%0.283SS..EExtended strand (participates in β ladder)trans-62.4136.2166.2-174.2177.3179.7159.34108.7F682 L683 I684 V734F682-R732 PolarHBondContact O-N 3.46Å; L683-R732 CarbonylContact C-O 3.59Å; L683-R732 WeakPolarHBondContact CA-O 3.41Å; L683-R732 HydrophobicContact CD1-CB 4.07Å; L683-R732 HydrophobicContact CD1-CG 4.11Å; I684-R732 PolarHBondContact N-O 2.84Å; R732-V734 HydrophobicContact CG-CG2 4.17Å
733Y95.6Very high93.5Very high82 Ų8252.8 Ų52.832%0.32227%0.27SS..EExtended strand (participates in β ladder)trans-109.4129.3175.6-179.6-107.3000109.9I684 I686 A720 L724 S731 E735I684-Y733 HydrophobicContact CB-CD2 4.33Å; I684-Y733 HydrophobicContact CG2-CD2 4.17Å; I684-Y733 HydrophobicContact CG2-CE2 4.48Å; I684-Y733 WeakPolarHBondContact O-CA 3.32Å; I686-Y733 HydrophobicContact CD1-CE2 4.14Å; I686-Y733 VanDerWaalsContact CD1-OH 3.32Å; I686-Y733 WeakPolarHBondContact CD1-OH 3.28Å; I686-Y733 HydrophobicContact CG1-CE2 4.46Å; A720-Y733 HydrophobicContact CB-CD2 4.28Å; A720-Y733 HydrophobicContact CB-CE2 3.63Å; L724-Y733 HydrophobicContact CD1-CD2 3.9Å; L724-Y733 HydrophobicContact CD1-CG 4.15Å; S731-Y733 PolarHBondContact O-N 3.14Å; Y733-E735 HydrophobicContact CE1-CG 3.69Å; Y733-E735 WeakPolarHBondContact CE1-OE1 3.39Å; Y733-E735 VanDerWaalsContact OH-CD 3.27Å; Y733-E735 WeakPolarHBondContact OH-CG 3.44Å; Y733-E735 PolarHBondContact OH-OE1 2.61Å
734V96.2Very high93.4Very high13 Ų1357.9 Ų57.98%0.07929%0.286CS..EExtended strand (participates in β ladder)trans-136.4129.1179.6174.60000109.5L683 I684 L685 I686 R732 Q742 F745L683-V734 HydrophobicContact CD1-CB 3.99Å; L683-V734 HydrophobicContact CD1-CG2 3.58Å; I684-V734 PolarHBondContact O-N 2.76Å; L685-V734 CarbonylContact C-O 3.57Å; L685-V734 VanDerWaalsContact CA-O 3.26Å; L685-V734 WeakPolarHBondContact CA-O 3.49Å; L685-V734 HydrophobicContact CD1-CB 4.4Å; L685-V734 HydrophobicContact CD1-CG1 4.17Å; L685-V734 HydrophobicContact CG-CB 4.42Å; L685-V734 HydrophobicContact CG-CG1 4.4Å; I686-V734 PolarHBondContact N-O 2.85Å; R732-V734 HydrophobicContact CG-CG2 4.17Å; V734-Q742 HydrophobicContact CG1-CB 3.75Å; V734-Q742 HydrophobicContact CG1-CG 4.3Å; V734-F745 HydrophobicContact CG2-CD2 4.47Å; V734-F745 HydrophobicContact CG2-CE2 4.36Å
735E96.1Very high93.3Very high79 Ų7958.4 Ų58.437%0.36929%0.287SS..EExtended strand (participates in β ladder)trans-106.5133.1162.8-60.4-171.6-154.600108.2I686 R717 Y733I686-E735 HydrophobicContact CB-CG 4.25Å; I686-E735 HydrophobicContact CD1-CG 4.4Å; I686-E735 WeakPolarHBondContact O-CA 3.35Å; R717-E735 IonicContact CZ-OE2 2.67Å; R717-E735 IonicContact NE-OE1 3.16Å; R717-E735 PolarHBondContact NE-OE1 2.78Å; R717-E735 IonicContact NE-OE2 2.76Å; R717-E735 PolarHBondContact NE-OE2 3.25Å; R717-E735 IonicContact NH2-OE2 2.82Å; R717-E735 PolarHBondContact NH2-OE2 3.35Å; Y733-E735 HydrophobicContact CE1-CG 3.69Å; Y733-E735 WeakPolarHBondContact CE1-OE1 3.39Å; Y733-E735 VanDerWaalsContact OH-CD 3.27Å; Y733-E735 WeakPolarHBondContact OH-CG 3.44Å; Y733-E735 PolarHBondContact OH-OE1 2.61Å
736T96.3Very high93.4Very high14 Ų1452.6 Ų52.69%0.08626%0.261CS..EExtended strand (participates in β ladder)trans-146.2164.4179-170.10000109.8L685 I686 Y687 E688 A743L685-T736 HydrophobicContact CD1-CG2 4.21Å; L685-T736 HydrophobicContact CD2-CG2 4.06Å; L685-T736 HydrophobicContact CG-CG2 4.22Å; I686-T736 PolarHBondContact O-N 2.99Å; Y687-T736 CarbonylContact C-O 3.6Å; Y687-T736 VanDerWaalsContact CA-O 3.31Å; Y687-T736 WeakPolarHBondContact CA-O 2.98Å; Y687-T736 HydrophobicContact CD2-CG2 4.02Å; E688-T736 PolarHBondContact N-O 2.81Å; T736-A743 HydrophobicContact CG2-CB 4.39Å; T736-A743 PolarHBondContact OG1-N 3.43Å
737E94Very high93.5Very high50 Ų5049.7 Ų49.723%0.23424%0.241CC..EExtended strand (participates in β ladder)trans-120.7170.4176.452.6179.4-156.300110.1E688 A693 K697 G740E688-E737 HydrophobicContact CB-CB 4.24Å; E688-E737 CarbonylContact O-C 3.56Å; E688-E737 WeakPolarHBondContact O-CA 3.33Å; A693-E737 HydrophobicContact CB-CB 3.8Å; K697-E737 WeakPolarHBondContact CE-OE1 3.17Å; K697-E737 VanDerWaalsContact CE-OE2 3.32Å; K697-E737 WeakPolarHBondContact CE-OE2 3.45Å; K697-E737 IonicContact NZ-OE1 2.79Å; K697-E737 PolarHBondContact NZ-OE1 3.11Å; K697-E737 IonicContact NZ-OE2 2.66Å; E737-G740 WeakPolarHBondContact O-CA 3.42Å; E737-G740 PolarHBondContact O-N 2.79Å
738H92.1Very high93.2Very high45 Ų4552.5 Ų52.521%0.20826%0.264CS..THydrogen-bonded Turntrans-49.2137.2166.3-172.165.7000111.1Y687 E688 D690 G740Y687-H738 WeakPolarHBondContact OH-CA 3.34Å; Y687-H738 WeakPolarHBondContact OH-CB 3.31Å; Y687-H738 PolarHBondContact OH-ND1 3.09Å; E688-H738 PolarHBondContact O-N 2.9Å; D690-H738 HydrophobicContact CB-CB 4Å; D690-H738 IonicContact OD1-CD2 3.91Å; H738-G740 PolarHBondContact O-N 3.31Å
739D89.6Confident93Very high142 Ų14253.8 Ų53.876%0.75927%0.269SS*.THydrogen-bonded Turntrans57.54.3-171.4-65.6-22.2000116.4
740G91.2Very high92.8Very high18 Ų1853.3 Ų53.319%0.18627%0.266CS..  trans-65.4142171.700000111.6E737 H738 Q742 A743E737-G740 WeakPolarHBondContact O-CA 3.42Å; E737-G740 PolarHBondContact O-N 2.79Å; H738-G740 PolarHBondContact O-N 3.31Å; G740-Q742 PolarHBondContact O-N 2.99Å; G740-A743 WeakPolarHBondContact O-CB 3.41Å; G740-A743 PolarHBondContact O-N 2.55Å
741S90.2Very high92.5Very high95 Ų9553.2 Ų53.266%0.66427%0.265SS*.THydrogen-bonded Turntrans-57.4-25.4-178.261.60000114.4R744S741-R744 WeakPolarHBondContact O-CD 3.39Å; S741-R744 WeakPolarHBondContact O-CG 3.4Å
742Q93.1Very high92Very high60 Ų6053.1 Ų53.128%0.2827%0.265SS..THydrogen-bonded Turntrans-91.4-7.1178.9-52.9-61.5-1100113.3V734 G740 R744 F745V734-Q742 HydrophobicContact CG1-CB 3.75Å; V734-Q742 HydrophobicContact CG1-CG 4.3Å; G740-Q742 PolarHBondContact O-N 2.99Å; Q742-R744 PolarHBondContact O-N 2.78Å; Q742-R744 VanDerWaalsContact O-N 3.14Å; Q742-F745 HydrophobicContact CB-CD2 4.09Å; Q742-F745 HydrophobicContact CB-CE2 4.25Å; Q742-F745 WeakPolarHBondContact O-CB 3.47Å; Q742-F745 WeakPolarHBondContact O-CD2 3.49Å; Q742-F745 PolarHBondContact O-N 3.08Å
743A92.4Very high91.4Very high5 Ų549.3 Ų49.34%0.04126%0.256CS..THydrogen-bonded Turntrans-58.8-26173.700000112.1Y687 T736 G740 F745 L746 L747Y687-A743 HydrophobicContact CD2-CB 4.2Å; Y687-A743 HydrophobicContact CE2-CB 3.91Å; T736-A743 HydrophobicContact CG2-CB 4.39Å; T736-A743 PolarHBondContact OG1-N 3.43Å; G740-A743 WeakPolarHBondContact O-CB 3.41Å; G740-A743 PolarHBondContact O-N 2.55Å; A743-F745 PolarHBondContact O-N 3.2Å; A743-F745 VanDerWaalsContact O-N 3.08Å; A743-L746 WeakPolarHBondContact O-CB 3.33Å; A743-L746 PolarHBondContact O-N 2.76Å; A743-L747 PolarHBondContact O-N 2.98Å; A743-L747 VanDerWaalsContact O-N 3.08Å
744R91.3Very high90.4Very high157 Ų15748.6 Ų48.659%0.59226%0.258SS*.Hα-helixtrans-52.5-29.6173.272.5-174.7-178.9119.61.6113.7S741 Q742 L747 S748S741-R744 WeakPolarHBondContact O-CD 3.39Å; S741-R744 WeakPolarHBondContact O-CG 3.4Å; Q742-R744 PolarHBondContact O-N 2.78Å; Q742-R744 VanDerWaalsContact O-N 3.14Å; R744-L747 PolarHBondContact O-N 3.21Å; R744-S748 VanDerWaalsContact O-CB 3.29Å; R744-S748 WeakPolarHBondContact O-CB 3.23Å; R744-S748 PolarHBondContact O-N 3.22Å; R744-S748 PolarHBondContact O-OG 3.25Å
745F92Very high89.3Confident39 Ų3948.7 Ų48.717%0.17126%0.258CS..Hα-helixtrans-65-40.6177.7-69.5-49.9000111.9L683 L685 V734 Q742 A743 S748 K749L683-F745 HydrophobicContact CD2-CB 3.65Å; L683-F745 HydrophobicContact CD2-CD2 4.32Å; L683-F745 HydrophobicContact CD2-CG 3.97Å; L685-F745 HydrophobicContact CD1-CB 3.66Å; L685-F745 HydrophobicContact CD1-CD2 4.39Å; V734-F745 HydrophobicContact CG2-CD2 4.47Å; V734-F745 HydrophobicContact CG2-CE2 4.36Å; Q742-F745 HydrophobicContact CB-CD2 4.09Å; Q742-F745 HydrophobicContact CB-CE2 4.25Å; Q742-F745 WeakPolarHBondContact O-CB 3.47Å; Q742-F745 WeakPolarHBondContact O-CD2 3.49Å; Q742-F745 PolarHBondContact O-N 3.08Å; A743-F745 PolarHBondContact O-N 3.2Å; A743-F745 VanDerWaalsContact O-N 3.08Å; F745-S748 PolarHBondContact O-OG 3.39Å; F745-K749 WeakPolarHBondContact O-CG 3.37Å
746L93.9Very high87.9Confident0 Ų047.7 Ų47.70%025%0.254CS..Hα-helixtrans-69-50172.8176.660.6000110.6L651 I670 L676 M678 L685 Y687 A743 S748 K749 V750L651-L746 HydrophobicContact CD1-CD1 3.92Å; I670-L746 HydrophobicContact CD1-CD2 4.11Å; I670-L746 HydrophobicContact CD1-CG 4.29Å; I670-L746 HydrophobicContact CG1-CD2 4.31Å; L676-L746 HydrophobicContact CD1-CD2 4.08Å; M678-L746 HydrophobicContact CB-CD1 4.28Å; M678-L746 HydrophobicContact CG-CD1 4.37Å; M678-L746 HydrophobicContact SD-CD1 3.62Å; L685-L746 HydrophobicContact CD2-CB 4.11Å; Y687-L746 HydrophobicContact CD1-CD2 4.21Å; Y687-L746 HydrophobicContact CD2-CD2 3.97Å; Y687-L746 HydrophobicContact CG-CD2 3.74Å; A743-L746 WeakPolarHBondContact O-CB 3.33Å; A743-L746 PolarHBondContact O-N 2.76Å; L746-S748 PolarHBondContact O-N 3.05Å; L746-K749 PolarHBondContact O-N 2.87Å; L746-V750 HydrophobicContact CD1-CG1 3.96Å; L746-V750 HydrophobicContact CG-CG1 4.27Å; L746-V750 PolarHBondContact O-N 2.99Å
747L90.9Very high86.1Confident49 Ų4952.5 Ų52.526%0.25728%0.275SS..Hα-helixtrans-59.8-31.6-176.5-63.2174.6000113I670 A743 R744 K749 V750 V774I670-L747 HydrophobicContact CD1-CD2 3.54Å; A743-L747 PolarHBondContact O-N 2.98Å; A743-L747 VanDerWaalsContact O-N 3.08Å; R744-L747 PolarHBondContact O-N 3.21Å; L747-K749 VanDerWaalsContact C-N 3.26Å; L747-K749 PolarHBondContact O-N 2.85Å; L747-V750 WeakPolarHBondContact O-CG2 3.47Å; L747-V774 HydrophobicContact CD2-CG2 4.4Å
748S87.4Confident84.7Confident75 Ų7552.9 Ų52.952%0.52428%0.281SS..THydrogen-bonded Turntrans-71.5-16.6176.2720000114.5R744 F745 L746R744-S748 VanDerWaalsContact O-CB 3.29Å; R744-S748 WeakPolarHBondContact O-CB 3.23Å; R744-S748 PolarHBondContact O-N 3.22Å; R744-S748 PolarHBondContact O-OG 3.25Å; F745-S748 PolarHBondContact O-OG 3.39Å; L746-S748 PolarHBondContact O-N 3.05Å
749K89.3Confident82.7Confident62 Ų6255.3 Ų55.327%0.2729%0.293SS..THydrogen-bonded Turntrans-104.1-27.5-176.5-63.2-62.1-177.7-1780113.1L665 M678 F745 L746 L747L665-K749 WeakPolarHBondContact CD2-O 3.27Å; M678-K749 HydrophobicContact SD-CB 4.14Å; M678-K749 HydrophobicContact SD-CG 4.31Å; F745-K749 WeakPolarHBondContact O-CG 3.37Å; L746-K749 PolarHBondContact O-N 2.87Å; L747-K749 VanDerWaalsContact C-N 3.26Å; L747-K749 PolarHBondContact O-N 2.85Å
750V90.8Very high80.8Confident0 Ų058.3 Ų58.30%030%0.295CS..SBendtrans-65151.6179.6-63.80000112.5R614 L665 I670 L746 L747 P752 V774R614-V750 PolarHBondContact NH1-O 3.1Å; R614-V750 VanDerWaalsContact NH1-O 3.14Å; L665-V750 HydrophobicContact CD1-CG1 4.29Å; I670-V750 HydrophobicContact CD1-CG1 4.26Å; I670-V750 HydrophobicContact CD1-CG2 4.45Å; L746-V750 HydrophobicContact CD1-CG1 3.96Å; L746-V750 HydrophobicContact CG-CG1 4.27Å; L746-V750 PolarHBondContact O-N 2.99Å; L747-V750 WeakPolarHBondContact O-CG2 3.47Å; V750-P752 WeakPolarHBondContact O-CD 3.23Å; V750-V774 HydrophobicContact CG2-CG2 3.92Å
751N89Confident78.7Confident9 Ų962.2 Ų62.25%0.04832%0.32CS..BIsolated β-bridgetrans-66.1124.2164.3175.743.5000109.3L665 D666 S667 S753 S780 L781L665-N751 WeakPolarHBondContact O-CB 3.45Å; L665-N751 PolarHBondContact O-N 2.94Å; D666-N751 HydrophobicContact CB-CB 4.41Å; D666-N751 WeakPolarHBondContact OD1-CB 3.32Å; D666-N751 PolarHBondContact OD1-ND2 3.08Å; S667-N751 PolarHBondContact N-O 2.86Å; S667-N751 PolarHBondContact OG-O 2.93Å; N751-S753 PolarHBondContact O-N 2.91Å; N751-S780 WeakPolarHBondContact OD1-CA 3.09Å; N751-L781 PolarHBondContact OD1-N 2.94Å
752P85.1Confident76.2Confident2 Ų265.2 Ų65.21%0.01332%0.321CS..  trans-80.769.5178.834.7-36.9000110.5V750 L754 T755 V774 T776 D778V750-P752 WeakPolarHBondContact O-CD 3.23Å; P752-L754 VanDerWaalsContact C-N 3.35Å; P752-T755 HydrophobicContact CB-CG2 3.89Å; P752-V774 HydrophobicContact CB-CB 4.05Å; P752-V774 HydrophobicContact CB-CG1 4.19Å; P752-T776 HydrophobicContact CB-CG2 3.33Å; P752-T776 HydrophobicContact CG-CG2 3.62Å; P752-D778 HydrophobicContact CG-CB 4.11Å
753S82.6Confident73.4Confident40 Ų4065.5 Ų65.528%0.2834%0.34SS..SBendtrans-72.1-33.4173.966.20000111.7D666 S667 N751D666-S753 VanDerWaalsContact CG-OG 3.29Å; D666-S753 VanDerWaalsContact OD1-CB 3.32Å; D666-S753 WeakPolarHBondContact OD1-CB 3.3Å; D666-S753 PolarHBondContact OD1-OG 3.34Å; D666-S753 WeakPolarHBondContact OD2-CB 3.33Å; D666-S753 PolarHBondContact OD2-OG 2.95Å; S667-S753 PolarHBondContact OG-N 2.61Å; S667-S753 PolarHBondContact OG-OG 2.9Å; N751-S753 PolarHBondContact O-N 2.91Å
754L74.8Confident70.8Confident67 Ų6775.1 Ų75.135%0.35138%0.384SS..SBendtrans-107.9104.1174.8-61.4173000108.4S667 P752 A773 V774S667-L754 PolarHBondContact OG-N 3.43Å; P752-L754 VanDerWaalsContact C-N 3.35Å; L754-A773 WeakPolarHBondContact O-CA 3.48Å; L754-V774 PolarHBondContact O-N 3.38Å
755T73.7Confident68.1Low15 Ų1570.7 Ų70.79%0.09238%0.378CS..BIsolated β-bridgetrans-113.6165.8174.863.10000110.9P752 H757 T758 M759 V774 T776P752-T755 HydrophobicContact CB-CG2 3.89Å; T755-H757 PolarHBondContact O-N 2.8Å; T755-H757 PolarHBondContact OG1-N 2.95Å; T755-T758 PolarHBondContact N-OG1 2.59Å; T755-T758 PolarHBondContact O-N 3.12Å; T755-T758 PolarHBondContact O-OG1 3.34Å; T755-T758 PolarHBondContact OG1-N 3.32Å; T755-T758 PolarHBondContact OG1-OG1 3.15Å; T755-T758 VanDerWaalsContact OG1-OG1 3.11Å; T755-M759 WeakPolarHBondContact O-CB 3.48Å; T755-M759 PolarHBondContact O-N 3.22Å; T755-V774 WeakPolarHBondContact CA-O 3.47Å; T755-T776 HydrophobicContact CG2-CG2 4.46Å
756H65.4Low65.2Low58 Ų5878.6 Ų78.627%0.26942%0.415SS..Hα-helixtrans-55.4-32.2168.466.8-71.6000112.8Y760 L775H756-Y760 WeakPolarHBondContact O-CD2 3.44Å; H756-L775 HydrophobicContact CB-CD2 3.9Å
757H59.9Low62.5Low115 Ų11584 Ų8453%0.53245%0.448SS..Hα-helixtrans-68.8-42.1175.3-76.4-58.1000113.3T755 S761T755-H757 PolarHBondContact O-N 2.8Å; T755-H757 PolarHBondContact OG1-N 2.95Å; H757-S761 PolarHBondContact O-N 3.29Å
758T63.6Low60.1Low58 Ų5889.1 Ų89.136%0.35648%0.475SS..Hα-helixtrans-74.1-29.5178.545.60000112.6T755 Y760T755-T758 PolarHBondContact N-OG1 2.59Å; T755-T758 PolarHBondContact O-N 3.12Å; T755-T758 PolarHBondContact O-OG1 3.34Å; T755-T758 PolarHBondContact OG1-N 3.32Å; T755-T758 PolarHBondContact OG1-OG1 3.15Å; T755-T758 VanDerWaalsContact OG1-OG1 3.11Å; T758-Y760 PolarHBondContact O-N 3.45Å
759M51.1Low58.1Low96 Ų9692 Ų9247%0.47349%0.485SS..Hα-helixtrans-65.5-36.2-178.9-136.6179.1-174.100112.5T755 A773T755-M759 WeakPolarHBondContact O-CB 3.48Å; T755-M759 PolarHBondContact O-N 3.22Å; M759-A773 HydrophobicContact SD-CB 3.92Å
760Y50.1Low56.3Low205 Ų20591.4 Ų91.480%0.80449%0.489SS*.Hα-helixtrans-93.1-14.6-179.7-65.4-67.7000114.6H756 T758H756-Y760 WeakPolarHBondContact O-CD2 3.44Å; T758-Y760 PolarHBondContact O-N 3.45Å
761S46.8Very low54.7Low100 Ų10092.1 Ų92.170%0.69950%0.496SS*.Hα-helixtrans-82.4-23.4-179.7-97.60000114.3H757 G763H757-S761 PolarHBondContact O-N 3.29Å; S761-G763 PolarHBondContact O-N 2.67Å
762F38.2Very low53.5Low157 Ų15793.1 Ų93.169%0.68950%0.503SS*.  trans-94.380175.4-86.1-89.3000111Q764F762-Q764 PolarHBondContact O-N 2.76Å
763G33.8Very low52.9Low66 Ų6694.6 Ų94.668%0.6852%0.516SS*.  trans-58.2130.916300000111.3S761 S765S761-G763 PolarHBondContact O-N 2.67Å; G763-S765 PolarHBondContact O-N 2.82Å
764Q38.2Very low52.5Low207 Ų20793.3 Ų93.397%0.96751%0.506SS*.SBendtrans67.111.5157.7-76.3-173.5-19.400121F762F762-Q764 PolarHBondContact O-N 2.76Å
765S33.8Very low52.4Low65 Ų6597.1 Ų97.146%0.45553%0.526SS..  trans-101.2110.7165.245.60000110.8G763 V767G763-S765 PolarHBondContact O-N 2.82Å; S765-V767 PolarHBondContact O-N 3Å
766Q31.5Very low52.4Low205 Ų20597.9 Ų97.996%0.95853%0.531SS*.  trans-57.176.8167.5-75.1178.4-35.300110.9
767V37.4Very low52.7Low114 Ų114102 Ų10269%0.69156%0.555SS**  trans-93.2123.6160.7-173.60000105S765 D769S765-V767 PolarHBondContact O-N 3Å; V767-D769 PolarHBondContact O-N 3.15Å
768D40.3Very low53.5Low155 Ų155100.3 Ų100.383%0.82955%0.55SS*.  trans-41.7108.8-177.5-74.4-43.1000111.4S770D768-S770 PolarHBondContact O-N 3.18Å
769D44Very low54.5Low137 Ų137101.9 Ų101.973%0.73356%0.559SS**  trans-84.844.3-159.7-161.318.5000112.3V767V767-D769 PolarHBondContact O-N 3.15Å
770S52.8Low56.3Low49 Ų4998.8 Ų98.834%0.34355%0.547SS..  trans-103.7-1.1-163.9640000116.2Q671 D768Q671-S770 PolarHBondContact NE2-OG 2.89Å; Q671-S770 PolarHBondContact OE1-OG 2.86Å; D768-S770 PolarHBondContact O-N 3.18Å
771G55.8Low58.2Low15 Ų1590.4 Ų90.416%0.15552%0.516CS..SBendtrans-89.1148.5179.600000113.9
772S65.5Low60.3Low29 Ų2991 Ų9120%0.20351%0.508CS..PPolyproline II helixtrans-79.9122.1176.4-165.70000111.5
773A72.5Confident62.8Low33 Ų3384.6 Ų84.627%0.27349%0.486SS..PPolyproline II helixtrans-70.3129.3178.900000111.8L754 M759L754-A773 WeakPolarHBondContact O-CA 3.48Å; M759-A773 HydrophobicContact SD-CB 3.92Å
774V72.9Confident65.6Low13 Ų1382.4 Ų82.48%0.07946%0.458CS..BIsolated β-bridgetrans-91.7126.3176.9-174.60000109.8L747 V750 P752 L754 T755 T776L747-V774 HydrophobicContact CD2-CG2 4.4Å; V750-V774 HydrophobicContact CG2-CG2 3.92Å; P752-V774 HydrophobicContact CB-CB 4.05Å; P752-V774 HydrophobicContact CB-CG1 4.19Å; L754-V774 PolarHBondContact O-N 3.38Å; T755-V774 WeakPolarHBondContact CA-O 3.47Å; V774-T776 HydrophobicContact CB-CG2 4.46Å; V774-T776 HydrophobicContact CG1-CG2 3.82Å; V774-T776 PolarHBondContact O-N 3.33Å
775L73.6Confident68.2Low148 Ų14874.4 Ų74.478%0.77542%0.421SS*.  trans-83.491.5175.1-63.8174.2000109.8H756H756-L775 HydrophobicContact CB-CD2 3.9Å
776T73.7Confident71.1Confident31 Ų3175.5 Ų75.519%0.1942%0.419CS..  trans-155.6154.3177.8-173.60000111.8P752 T755 V774 D778P752-T776 HydrophobicContact CB-CG2 3.33Å; P752-T776 HydrophobicContact CG-CG2 3.62Å; T755-T776 HydrophobicContact CG2-CG2 4.46Å; V774-T776 HydrophobicContact CB-CG2 4.46Å; V774-T776 HydrophobicContact CG1-CG2 3.82Å; V774-T776 PolarHBondContact O-N 3.33Å; T776-D778 HydrophobicContact CG2-CB 4.04Å; T776-D778 WeakPolarHBondContact OG1-CB 3.3Å; T776-D778 PolarHBondContact OG1-N 3.11Å; T776-D778 VanDerWaalsContact OG1-N 3.08Å
777D70.5Confident74Confident143 Ų14371.2 Ų71.277%0.76540%0.398SS*.  trans-94.41.7169.9-63.2-28000112
778D78Confident76.8Confident80 Ų8066.1 Ų66.143%0.42837%0.367SS..PPolyproline II helixtrans-60.1137.8178.6-83.2-9.6000111.5R614 P752 T776 S780R614-D778 IonicContact CZ-OD2 3.65Å; R614-D778 IonicContact NE-OD2 3.15Å; R614-D778 PolarHBondContact NE-OD2 3.45Å; R614-D778 IonicContact NH2-OD2 3.86Å; R614-D778 PolarHBondContact NH2-OD2 3.49Å; P752-D778 HydrophobicContact CG-CB 4.11Å; T776-D778 HydrophobicContact CG2-CB 4.04Å; T776-D778 WeakPolarHBondContact OG1-CB 3.3Å; T776-D778 PolarHBondContact OG1-N 3.11Å; T776-D778 VanDerWaalsContact OG1-N 3.08Å; D778-S780 PolarHBondContact O-N 2.96Å
779V84.1Confident79.3Confident91 Ų9162 Ų6255%0.55234%0.342SS*.PPolyproline II helixtrans-65128.3172.5-179.40000109.5F610 F784F610-V779 VanDerWaalsContact CE2-O 3.3Å; F610-V779 WeakPolarHBondContact CE2-O 3.35Å; F610-V779 WeakPolarHBondContact CZ-O 3.47Å; V779-F784 HydrophobicContact CG1-CB 4.37Å
780S89.5Confident81.7Confident32 Ų3261.4 Ų61.422%0.22433%0.333CS..PPolyproline II helixtrans-66.6156.8174.371.90000111.8N751 D778 Q782 G783 F784N751-S780 WeakPolarHBondContact OD1-CA 3.09Å; D778-S780 PolarHBondContact O-N 2.96Å; S780-Q782 PolarHBondContact O-N 2.66Å; S780-G783 PolarHBondContact O-N 3.15Å; S780-G783 VanDerWaalsContact O-N 3.11Å; S780-G783 PolarHBondContact OG-N 3.16Å; S780-F784 WeakPolarHBondContact O-CB 3.07Å; S780-F784 PolarHBondContact O-N 3.36Å
781L89.6Confident83.7Confident29 Ų2961.9 Ų61.915%0.15233%0.331CS..Hα-helixtrans-54.9-40.2175.1178.161.9000111.1Q607 F610 N751 F784 M785Q607-L781 HydrophobicContact CB-CD1 4.31Å; Q607-L781 HydrophobicContact CB-CD2 4.49Å; Q607-L781 HydrophobicContact CG-CD1 4.33Å; Q607-L781 HydrophobicContact CG-CD2 3.94Å; F610-L781 HydrophobicContact CB-CD1 3.76Å; F610-L781 HydrophobicContact CD1-CB 4.18Å; F610-L781 HydrophobicContact CD1-CD1 3.68Å; F610-L781 HydrophobicContact CD1-CG 4.44Å; F610-L781 HydrophobicContact CD2-CD1 4.25Å; F610-L781 HydrophobicContact CE1-CB 3.92Å; F610-L781 HydrophobicContact CE1-CD1 4.31Å; F610-L781 HydrophobicContact CG-CD1 3.63Å; F610-L781 HydrophobicContact CZ-CB 4.12Å; N751-L781 PolarHBondContact OD1-N 2.94Å; L781-F784 HydrophobicContact CD1-CD1 4.38Å; L781-F784 WeakPolarHBondContact O-CB 3.48Å; L781-F784 PolarHBondContact O-N 3.32Å; L781-M785 HydrophobicContact CD1-CG 4.07Å; L781-M785 HydrophobicContact CG-CG 4.32Å; L781-M785 WeakPolarHBondContact O-CB 3.5Å; L781-M785 WeakPolarHBondContact O-CG 3.32Å; L781-M785 PolarHBondContact O-N 2.98Å
782Q90.5Very high85.3Confident113 Ų11361.2 Ų61.253%0.52832%0.324SS..Hα-helixtrans-59.8-50.4176.2-177.866.620.300111.3S780 F784 M785 E786S780-Q782 PolarHBondContact O-N 2.66Å; Q782-F784 VanDerWaalsContact C-N 3.32Å; Q782-F784 PolarHBondContact O-N 3.1Å; Q782-M785 PolarHBondContact O-N 3.07Å; Q782-E786 PolarHBondContact NE2-OE1 3.4Å; Q782-E786 WeakPolarHBondContact O-CG 3.22Å; Q782-E786 PolarHBondContact O-N 2.85Å
783G90.2Very high86.6Confident22 Ų2260 Ų6023%0.22732%0.315CS..Hα-helixtrans-62.3-39177.300000112.7S780 E786 H787S780-G783 PolarHBondContact O-N 3.15Å; S780-G783 VanDerWaalsContact O-N 3.11Å; S780-G783 PolarHBondContact OG-N 3.16Å; G783-E786 PolarHBondContact O-N 3.2Å; G783-H787 WeakPolarHBondContact O-CB 3.25Å; G783-H787 PolarHBondContact O-N 3.07Å
784F92.5Very high87.4Confident20 Ų2059.3 Ų59.39%0.08831%0.309CS..Hα-helixtrans-60.9-46.9173.4174.5-95.7000111.8L578 F610 V779 S780 L781 Q782 H787 L788L578-F784 HydrophobicContact CD2-CE1 3.95Å; L578-F784 HydrophobicContact CD2-CZ 3.55Å; F610-F784 HydrophobicContact CB-CD1 3.86Å; F610-F784 HydrophobicContact CB-CE1 3.82Å; F610-F784 HydrophobicContact CB-CG 4.36Å; F610-F784 HydrophobicContact CB-CZ 4.29Å; F610-F784 HydrophobicContact CD2-CB 3.75Å; F610-F784 AromaticContact CD2-CD1 3.98Å; F610-F784 HydrophobicContact CD2-CD1 3.98Å; F610-F784 HydrophobicContact CD2-CD2 4.04Å; F610-F784 AromaticContact CD2-CG 3.65Å; F610-F784 HydrophobicContact CD2-CG 3.65Å; F610-F784 HydrophobicContact CE2-CB 4.08Å; F610-F784 HydrophobicContact CE2-CG 4.44Å; F610-F784 HydrophobicContact CG-CD1 4.3Å; F610-F784 HydrophobicContact CG-CG 4.42Å; V779-F784 HydrophobicContact CG1-CB 4.37Å; S780-F784 WeakPolarHBondContact O-CB 3.07Å; S780-F784 PolarHBondContact O-N 3.36Å; L781-F784 HydrophobicContact CD1-CD1 4.38Å; L781-F784 WeakPolarHBondContact O-CB 3.48Å; L781-F784 PolarHBondContact O-N 3.32Å; Q782-F784 VanDerWaalsContact C-N 3.32Å; Q782-F784 PolarHBondContact O-N 3.1Å; F784-H787 PolarHBondContact O-N 3.37Å; F784-L788 HydrophobicContact CE1-CD2 4.4Å; F784-L788 WeakPolarHBondContact O-CB 3.46Å; F784-L788 PolarHBondContact O-N 3.19Å
785M93.8Very high87.4Confident38 Ų3863.4 Ų63.419%0.18734%0.338CS..Hα-helixtrans-66-39.9179.4-71.4-59.1-71.800112.1P606 L781 Q782 L788 K789P606-M785 HydrophobicContact CB-CE 3.89Å; P606-M785 HydrophobicContact CB-SD 3.51Å; P606-M785 VanDerWaalsContact CB-SD 3.51Å; P606-M785 HydrophobicContact CG-CE 4.23Å; P606-M785 HydrophobicContact CG-SD 4.46Å; L781-M785 HydrophobicContact CD1-CG 4.07Å; L781-M785 HydrophobicContact CG-CG 4.32Å; L781-M785 WeakPolarHBondContact O-CB 3.5Å; L781-M785 WeakPolarHBondContact O-CG 3.32Å; L781-M785 PolarHBondContact O-N 2.98Å; Q782-M785 PolarHBondContact O-N 3.07Å; M785-L788 PolarHBondContact O-N 3.44Å; M785-L788 HydrophobicContact SD-CD2 4.22Å; M785-K789 WeakPolarHBondContact O-CB 3.45Å; M785-K789 WeakPolarHBondContact O-CG 3.49Å; M785-K789 PolarHBondContact O-N 2.96Å
786E93.8Very high87.1Confident89 Ų8961.5 Ų61.542%0.41634%0.337SS..Hα-helixtrans-62.7-42.8175.1-75.1174.5-167.300112.1Q782 G783 K789 K790Q782-E786 PolarHBondContact NE2-OE1 3.4Å; Q782-E786 WeakPolarHBondContact O-CG 3.22Å; Q782-E786 PolarHBondContact O-N 2.85Å; G783-E786 PolarHBondContact O-N 3.2Å; E786-K789 PolarHBondContact O-N 3.26Å; E786-K790 WeakPolarHBondContact O-CG 3.44Å; E786-K790 PolarHBondContact O-N 2.96Å; E786-K790 VanDerWaalsContact O-N 3.12Å
787H93.8Very high86.2Confident115 Ų11563.5 Ų63.553%0.53236%0.357SS..Hα-helixtrans-66.5-42.9175.9-170.9-97.7000111.8G783 F784 K789 K790 L791G783-H787 WeakPolarHBondContact O-CB 3.25Å; G783-H787 PolarHBondContact O-N 3.07Å; F784-H787 PolarHBondContact O-N 3.37Å; H787-K789 VanDerWaalsContact C-N 3.34Å; H787-K789 PolarHBondContact O-N 3.35Å; H787-K790 PolarHBondContact O-N 2.96Å; H787-L791 WeakPolarHBondContact CE1-CD1 3.46Å; H787-L791 WeakPolarHBondContact O-CG 3.36Å; H787-L791 PolarHBondContact O-N 3.45Å
788L94.5Very high87Confident7 Ų759.6 Ų59.64%0.03734%0.336CS..Hα-helixtrans-58.9-44.9175.5177.761.9000111.6L578 I579 P606 F784 M785 K790 L791 A792L578-L788 HydrophobicContact CD1-CD2 4.36Å; L578-L788 HydrophobicContact CD2-CD1 4.09Å; L578-L788 HydrophobicContact CD2-CD2 3.79Å; L578-L788 HydrophobicContact CG-CD1 3.9Å; L578-L788 HydrophobicContact CG-CD2 4Å; I579-L788 HydrophobicContact CG1-CD1 3.93Å; P606-L788 HydrophobicContact CB-CD2 3.75Å; P606-L788 HydrophobicContact CG-CD2 4.13Å; F784-L788 HydrophobicContact CE1-CD2 4.4Å; F784-L788 WeakPolarHBondContact O-CB 3.46Å; F784-L788 PolarHBondContact O-N 3.19Å; M785-L788 PolarHBondContact O-N 3.44Å; M785-L788 HydrophobicContact SD-CD2 4.22Å; L788-K790 PolarHBondContact O-N 2.93Å; L788-L791 PolarHBondContact O-N 3.35Å; L788-A792 VanDerWaalsContact O-CB 3.27Å; L788-A792 WeakPolarHBondContact O-CB 3.13Å; L788-A792 PolarHBondContact O-N 2.79Å
789K94.3Very high87.5Confident68 Ų6858.5 Ų58.530%0.29633%0.332SS..Hα-helixtrans-57.6-48175.8-74.1172.5-176.7-179.80111.3P593 F596 M785 E786 H787 L791 A792 V793P593-K789 HydrophobicContact CB-CB 4.18Å; F596-K789 HydrophobicContact CB-CB 4.38Å; F596-K789 HydrophobicContact CB-CG 4.06Å; F596-K789 HydrophobicContact CD1-CD 4.44Å; F596-K789 HydrophobicContact CD1-CG 3.62Å; F596-K789 HydrophobicContact CE1-CG 4.36Å; F596-K789 HydrophobicContact CG-CG 4.04Å; M785-K789 WeakPolarHBondContact O-CB 3.45Å; M785-K789 WeakPolarHBondContact O-CG 3.49Å; M785-K789 PolarHBondContact O-N 2.96Å; E786-K789 PolarHBondContact O-N 3.26Å; H787-K789 VanDerWaalsContact C-N 3.34Å; H787-K789 PolarHBondContact O-N 3.35Å; K789-L791 VanDerWaalsContact C-N 3.32Å; K789-L791 PolarHBondContact O-N 2.93Å; K789-A792 PolarHBondContact O-N 3.4Å; K789-V793 WeakPolarHBondContact O-CG1 3.36Å; K789-V793 WeakPolarHBondContact O-CG2 3.45Å; K789-V793 PolarHBondContact O-N 3.01Å
790K94.4Very high87.7Confident124 Ų12456.7 Ų56.754%0.53932%0.319SS..Hα-helixtrans-57.4-44.5177.8-73173.2-176.6175.30112P593 E786 H787 L788 S794P593-K790 HydrophobicContact CB-CG 4.06Å; P593-K790 HydrophobicContact CG-CB 4.41Å; P593-K790 HydrophobicContact CG-CG 3.76Å; E786-K790 WeakPolarHBondContact O-CG 3.44Å; E786-K790 PolarHBondContact O-N 2.96Å; E786-K790 VanDerWaalsContact O-N 3.12Å; H787-K790 PolarHBondContact O-N 2.96Å; L788-K790 PolarHBondContact O-N 2.93Å; K790-S794 WeakPolarHBondContact O-CB 3.45Å; K790-S794 PolarHBondContact O-N 3.4Å
791L93.9Very high87.5Confident60 Ų6058.1 Ų58.131%0.31433%0.325SS..Hα-helixtrans-70.3-43.7179.2-68.2-178.6000112.4I579 H787 L788 K789 V793 S794 A797I579-L791 HydrophobicContact CD1-CB 4.37Å; I579-L791 HydrophobicContact CD1-CD1 3.59Å; I579-L791 HydrophobicContact CG1-CB 4.27Å; I579-L791 HydrophobicContact CG1-CD1 4.2Å; I579-L791 HydrophobicContact CG2-CB 4.35Å; H787-L791 WeakPolarHBondContact CE1-CD1 3.46Å; H787-L791 WeakPolarHBondContact O-CG 3.36Å; H787-L791 PolarHBondContact O-N 3.45Å; L788-L791 PolarHBondContact O-N 3.35Å; K789-L791 VanDerWaalsContact C-N 3.32Å; K789-L791 PolarHBondContact O-N 2.93Å; L791-V793 VanDerWaalsContact C-N 3.32Å; L791-V793 PolarHBondContact O-N 3.08Å; L791-S794 PolarHBondContact O-N 3.45Å; L791-S794 PolarHBondContact O-OG 3.11Å; L791-A797 WeakPolarHBondContact O-CB 3.33Å
792A90.3Very high87.4Confident0 Ų059.9 Ų59.90%034%0.336CS..Hα-helixtrans-63.6-34.2-176.300000113.3C582 H583 F596 L788 K789C582-A792 HydrophobicContact CB-CB 3.78Å; H583-A792 PolarHBondContact CD2-O 3.25Å; F596-A792 HydrophobicContact CD2-CB 4.13Å; F596-A792 HydrophobicContact CE2-CB 3.69Å; F596-A792 HydrophobicContact CZ-CB 4.25Å; L788-A792 VanDerWaalsContact O-CB 3.27Å; L788-A792 WeakPolarHBondContact O-CB 3.13Å; L788-A792 PolarHBondContact O-N 2.79Å; K789-A792 PolarHBondContact O-N 3.4Å
793V91.5Very high87.2Confident3 Ų356.4 Ų56.42%0.01832%0.323CS..Hα-helixtrans-89-10.2178.8-520000113.9Y588 D591 P593 F596 K789 L791Y588-V793 HydrophobicContact CD1-CG1 4.38Å; Y588-V793 HydrophobicContact CD2-CB 3.76Å; Y588-V793 HydrophobicContact CD2-CG1 3.67Å; Y588-V793 HydrophobicContact CE2-CB 4.28Å; Y588-V793 HydrophobicContact CE2-CG1 4.46Å; Y588-V793 HydrophobicContact CG-CB 4.26Å; Y588-V793 HydrophobicContact CG-CG1 3.63Å; D591-V793 PolarHBondContact N-O 3.3Å; P593-V793 HydrophobicContact CB-CG2 4.34Å; P593-V793 HydrophobicContact CG-CG2 3.94Å; F596-V793 HydrophobicContact CB-CG1 3.99Å; F596-V793 HydrophobicContact CD2-CG1 3.95Å; F596-V793 HydrophobicContact CG-CG1 4.4Å; K789-V793 WeakPolarHBondContact O-CG1 3.36Å; K789-V793 WeakPolarHBondContact O-CG2 3.45Å; K789-V793 PolarHBondContact O-N 3.01Å; L791-V793 VanDerWaalsContact C-N 3.32Å; L791-V793 PolarHBondContact O-N 3.08Å
794S89.2Confident87Confident20 Ų2058.9 Ų58.914%0.1433%0.33CS..  trans-67.8138.4-173.5760000110.9K790 L791 S796 A797K790-S794 WeakPolarHBondContact O-CB 3.45Å; K790-S794 PolarHBondContact O-N 3.4Å; L791-S794 PolarHBondContact O-N 3.45Å; L791-S794 PolarHBondContact O-OG 3.11Å; S794-S796 PolarHBondContact O-N 3.33Å; S794-S796 PolarHBondContact OG-OG 3.07Å; S794-A797 PolarHBondContact O-N 3.39Å
795S73.2Confident86.6Confident98 Ų9861.8 Ų61.869%0.68535%0.349SS*.THydrogen-bonded Turntrans-60.3-11174.445.60000114.9D591D591-S795 PolarHBondContact OD1-N 3.29Å; D591-S795 VanDerWaalsContact OD1-N 3.13Å; D591-S795 PolarHBondContact OD1-OG 2.98Å
796S67.9Low86Confident108 Ų10863.8 Ų63.876%0.75536%0.362SS*.THydrogen-bonded Turntrans-101.9-0.7-175.854.80000115.2S794S794-S796 PolarHBondContact O-N 3.33Å; S794-S796 PolarHBondContact OG-OG 3.07Å
797A54.8Low85.3Confident74 Ų7461.5 Ų61.561%0.61236%0.357SS*.  trans-76.10-172.700000115.4I579 L791 S794I579-A797 HydrophobicContact CG2-CB 4.39Å; L791-A797 WeakPolarHBondContact O-CB 3.33Å; S794-A797 PolarHBondContact O-N 3.39Å

Retrieved 797 of 797 residues in 308.4 ms (Link to these results)

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